Peak 2 from cnoeabs.peaks (3.75, 3.75, 42.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QA GLY 2 + QA GLY 2 OK 100 100 - 100 Peak 3 from cnoeabs.peaks (4.61, 4.61, 55.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 4 from cnoeabs.peaks (3.05, 4.61, 55.75 ppm; 2.86 A): 1 out of 10 assignments used, quality = 0.94: * HB2 HIS 10 + HA HIS 10 OK 94 100 - 94 - 3.0=85, 1.8/5=34...(11) HE2 LYS 34 - HA HIS 10 lone 7 100 - 7 - 4=2, 11001/4.6=2, 10/3.0=1 HE3 LYS 34 - HA HIS 10 lone 7 96 - 7 - 1.8/4=2, 11001/4.6=2, 10/3.0=1 HB3 ASP 65 - HA HIS 10 lone 6 81 - 7 - 4=3, 10/3.0=1 HB2 PHE 67 - HA HIS 10 lone 2 81 - 2 - HE3 LYS 86 - HA HIS 10 lone 1 81 - 1 - HE2 LYS 86 - HA HIS 10 lone 1 77 - 1 - HB2 TYR 27 - HA HIS 10 lone 1 94 - 1 - HB3 TRP 88 - HA HIS 10 lone 0 62 - 1 - HB3 ASP 30 - HA HIS 10 lone 0 62 - 0 - Peak 5 from cnoeabs.peaks (3.10, 4.61, 55.75 ppm; 2.76 A): 1 out of 4 assignments used, quality = 0.90: * HB3 HIS 10 + HA HIS 10 OK 90 100 - 90 - 3.0=77, 1.8/6=28...(11) HD2 ARG 109 - HA HIS 10 lone 0 72 - 1 - HA ALA 105 - HA HIS 10 lone 0 88 - 1 - HB3 ASN 96 - HA HIS 10 lone 0 81 - 0 - Peak 6 from cnoeabs.peaks (4.61, 3.05, 30.06 ppm; 2.96 A): 1 out of 4 assignments used, quality = 0.98: * HA HIS 10 + HB2 HIS 10 OK 98 100 - 98 - 3.0=94, 5/1.8=36...(11) HA ARG 124 - HB2 HIS 10 OK 10 94 - 11 - 9/1.8=3, 11245/4.7=3 HA PRO 129 - HB2 HIS 10 lone 4 99 - 4 - ~4375=1, ~4383=1, 9/1.8=1 HA ASP 16 - HB2 HIS 10 lone 1 72 - 1 - Peak 7 from cnoeabs.peaks (3.05, 3.05, 30.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Peak 8 from cnoeabs.peaks (3.10, 3.05, 30.06 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 1.8=100 HA ALA 105 - HB2 HIS 10 lone 0 88 - 0 - HD2 ARG 109 - HB2 HIS 10 lone 0 72 - 0 - HB3 ASN 96 - HB2 HIS 10 lone 0 81 - 0 - Peak 9 from cnoeabs.peaks (4.61, 3.10, 30.06 ppm; 3.01 A): 1 out of 4 assignments used, quality = 0.99: * HA HIS 10 + HB3 HIS 10 OK 99 100 - 99 - 3.0=99 HA ARG 124 - HB3 HIS 10 OK 11 94 - 12 - 6/1.8=3, 11245/4.7=3...(4) HA PRO 129 - HB3 HIS 10 lone 4 100 - 4 - ~4375=1, ~4383=1, 6/1.8=1 HA ASP 16 - HB3 HIS 10 lone 1 72 - 1 - Peak 10 from cnoeabs.peaks (3.05, 3.10, 30.06 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 1.8=100 HE2 LYS 34 - HB3 HIS 10 lone 5 100 - 5 - 10=2, 11001/4.0=1 HB3 ASP 65 - HB3 HIS 10 lone 5 81 - 6 - 10=3 HE3 LYS 34 - HB3 HIS 10 lone 5 96 - 5 - 1.8/10=1, 11001/4.0=1 HB2 PHE 67 - HB3 HIS 10 lone 1 81 - 2 - HE3 LYS 86 - HB3 HIS 10 lone 1 81 - 1 - HE2 LYS 86 - HB3 HIS 10 lone 0 77 - 1 - HB2 TYR 27 - HB3 HIS 10 lone 0 94 - 0 - HB3 TRP 88 - HB3 HIS 10 lone 0 62 - 1 - HB3 ASP 30 - HB3 HIS 10 lone 0 62 - 0 - Peak 11 from cnoeabs.peaks (3.10, 3.10, 30.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 12 from cnoeabs.peaks (4.66, 4.66, 52.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 Peak 13 from cnoeabs.peaks (1.81, 4.66, 52.83 ppm; 3.53 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB2 ARG 124 - HA MET 11 OK 37 68 - 55 - 1.8/17=11, 25/3.0=6...(25) HB3 MET 68 - HA MET 11 OK 33 92 - 36 - 2.9/15=5, 25/3.0=5...(17) HB3 LEU 72 - HA MET 11 OK 18 94 - 19 - 25/3.0=2, 37/3.9=2...(6) HB VAL 80 - HA MET 11 OK 10 100 - 10 - 37/3.9=1, 25/3.0=1, ~2427=1 HD3 LYS 36 - HA MET 11 lone 9 96 - 9 - 37/3.9=1, 43/5.1=1, 25/3.0=1 HB2 ARG 141 - HA MET 11 lone 8 92 - 8 - 10974/2.9=1 HD3 LYS 86 - HA MET 11 lone 2 62 - 3 - Peak 14 from cnoeabs.peaks (1.96, 4.66, 52.83 ppm; 2.94 A): 1 out of 7 assignments used, quality = 0.98: * HB3 MET 11 + HA MET 11 OK 98 100 - 98 - 3.0=96, 3.0/36=14...(13) HB2 LYS 34 - HA MET 11 OK 33 100 - 33 - 24=6, 20/3.0=6, 38/3.9=4...(13) HB3 ARG 124 - HA MET 11 OK 33 77 - 42 - 17=6, 1.8/13=6, 29/3.0=5...(23) HB ILE 56 - HA MET 11 OK 19 94 - 20 - 17=4, 29/3.0=3, 23/3.0=3...(8) HB2 LYS 61 - HA MET 11 OK 15 98 - 15 - 20/3.0=2, 44/5.1=2...(6) HB3 PRO 98 - HA MET 11 lone 5 81 - 5 - HB3 GLU 75 - HA MET 11 lone 1 68 - 2 - Peak 15 from cnoeabs.peaks (2.44, 4.66, 52.83 ppm; 3.99 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.9=100 HB3 PRO 33 + HA MET 11 OK 46 96 - 48 - 30=10, 21/3.0=9...(12) HG2 MET 68 - HA MET 11 OK 41 85 - 48 - 30=7, 21/3.0=7, 27/3.0=7...(18) HG3 GLU 131 - HA MET 11 lone 5 100 - 5 - HG3 GLN 47 - HA MET 11 lone 5 62 - 7 - HG2 GLN 47 - HA MET 11 lone 5 62 - 7 - HB3 GLU 131 - HA MET 11 lone 3 72 - 4 - HG3 GLU 28 - HA MET 11 lone 2 68 - 2 - Peak 16 from cnoeabs.peaks (2.37, 4.66, 52.83 ppm; 3.44 A): 1 out of 7 assignments used, quality = 0.93: * HG3 MET 11 + HA MET 11 OK 93 100 - 93 - 3.9=70, 38/3.0=19...(18) HG3 GLU 37 - HA MET 11 OK 26 92 - 29 - 22/3.0=6, 28/3.0=5...(10) HG2 MET 59 - HA MET 11 OK 12 92 - 13 - 22/3.0=2, 28/3.0=2...(6) HG3 MET 59 - HA MET 11 poor 8 77 - 11 - 22/3.0=2, ~22=1...(4) HG2 GLN 25 - HA MET 11 poor 8 77 - 11 - 22/3.0=3, 28/3.0=3...(5) HB ILE 91 - HA MET 11 lone 4 77 - 6 - 46/5.1=2 HG2 MET 46 - HA MET 11 lone 3 72 - 4 - 46/5.1=1 Peak 17 from cnoeabs.peaks (2.00, 4.66, 52.83 ppm; 3.60 A): 4 out of 10 assignments used, quality = 0.93: * QE MET 11 + HA MET 11 OK 85 100 - 85 - 42=38, 44/3.0=22...(13) HB3 GLU 37 + HA MET 11 OK 29 92 - 32 - 23/3.0=6, 3.0/16=5...(13) HB2 GLU 37 + HA MET 11 OK 25 81 - 31 - 23/3.0=5, 3.0/16=5...(13) HB2 GLN 111 + HA MET 11 OK 17 98 - 17 - 23/3.0=3, 29/3.0=3...(8) HB VAL 63 - HA MET 11 poor 9 77 - 11 - 2.1/8366=8, 23/3.0=1 QE MET 59 - HA MET 11 lone 7 72 - 9 - 3.4/16=2, 3.4/16=1 HG3 GLU 122 - HA MET 11 lone 6 100 - 6 - 23/3.0=1 HG3 PRO 52 - HA MET 11 lone 5 100 - 5 - HB3 GLU 90 - HA MET 11 lone 3 100 - 3 - QE MET 113 - HA MET 11 lone 1 85 - 2 - Peak 18 from cnoeabs.peaks (4.66, 1.81, 32.13 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA GLN 62 - HB2 MET 11 OK 38 100 - 38 - 24/1.8=8, 36/3.0=6...(11) HA ASN 139 - HB2 MET 11 lone 4 68 - 6 - Peak 19 from cnoeabs.peaks (1.81, 1.81, 32.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 20 from cnoeabs.peaks (1.96, 1.81, 32.13 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 1.8=100 HB2 LYS 34 - HB2 MET 11 OK 32 100 - 32 - 25=5, 38/3.0=4, 14/3.0=3...(15) HB3 ARG 124 - HB2 MET 11 OK 31 77 - 40 - 23=6, 29/1.8=5, ~25=3...(22) HB ILE 56 - HB2 MET 11 OK 17 94 - 19 - 23=4, 29/1.8=3, 38/3.0=2...(8) HB2 LYS 61 - HB2 MET 11 OK 11 98 - 12 - 44/4.2=2, 38/3.0=2...(4) HB3 PRO 98 - HB2 MET 11 lone 3 81 - 4 - HB3 GLU 75 - HB2 MET 11 lone 1 68 - 2 - Peak 21 from cnoeabs.peaks (2.44, 1.81, 32.13 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 33 + HB2 MET 11 OK 55 96 - 57 - 27/1.8=9, 39/3.0=8, 31=6...(27) HG2 MET 68 - HB2 MET 11 OK 41 85 - 48 - 27/1.8=7, 39/3.0=5...(24) HG3 GLU 131 - HB2 MET 11 lone 6 100 - 5 - HG3 GLN 47 - HB2 MET 11 lone 5 62 - 7 - HG2 GLN 47 - HB2 MET 11 lone 5 62 - 7 - HB3 GLU 131 - HB2 MET 11 lone 4 72 - 5 - HG3 GLU 28 - HB2 MET 11 lone 2 68 - 3 - Peak 22 from cnoeabs.peaks (2.37, 1.81, 32.13 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 - HB2 MET 11 OK 34 92 - 37 - 28/1.8=6, 3.0/23=5...(15) HG2 GLN 25 - HB2 MET 11 OK 14 77 - 18 - 28/1.8=3, 46/4.2=2...(7) HG2 MET 59 - HB2 MET 11 OK 14 92 - 15 - 28/1.8=2, 16/3.0=2...(5) HG3 MET 59 - HB2 MET 11 poor 10 77 - 13 - 28/1.8=1, 16/3.0=1...(4) HB ILE 91 - HB2 MET 11 lone 6 77 - 8 - 46/4.2=2 HG2 MET 46 - HB2 MET 11 lone 4 72 - 5 - 46/4.2=1 Peak 23 from cnoeabs.peaks (2.00, 1.81, 32.13 ppm; 2.80 A): 4 out of 10 assignments used, quality = 0.89: * QE MET 11 + HB2 MET 11 OK 77 100 - 77 - 4.2=30, 44/1.8=22...(18) HB3 GLU 37 + HB2 MET 11 OK 28 92 - 30 - 29/1.8=4, 3.0/22=4...(14) HB2 GLU 37 + HB2 MET 11 OK 24 81 - 30 - 3.0/22=4, 29/1.8=4...(14) HB2 GLN 111 + HB2 MET 11 OK 14 98 - 14 - 29/1.8=3, 2.9/18=3...(6) HG3 GLU 122 - HB2 MET 11 lone 5 100 - 5 - HB VAL 63 - HB2 MET 11 lone 5 77 - 7 - ~8366=2, ~8361=1 QE MET 59 - HB2 MET 11 lone 4 72 - 6 - 3.4/22=1 HG3 PRO 52 - HB2 MET 11 lone 3 100 - 3 - HB3 GLU 90 - HB2 MET 11 lone 3 100 - 3 - QE MET 113 - HB2 MET 11 lone 1 85 - 1 - Peak 24 from cnoeabs.peaks (4.66, 1.96, 32.13 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA GLN 62 - HB3 MET 11 OK 34 100 - 35 - 18/1.8=8, 36/3.0=5...(12) HA MET 11 - HB2 LYS 34 OK 30 70 - 44 - 14=11, 3.0/20=7...(18) HA GLN 62 - HB2 LYS 34 lone 5 68 - 8 - 2.9/6577=1, 4.8/1651=1 HA ASN 139 - HB3 MET 11 lone 4 68 - 5 - HA ASN 139 - HB2 LYS 34 lone 1 40 - 2 - Peak 25 from cnoeabs.peaks (1.81, 1.96, 32.13 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 1.8=100 HB2 ARG 124 - HB3 MET 11 OK 26 68 - 38 - 1.8/29=8, ~23=4...(21) HB2 MET 11 - HB2 LYS 34 OK 24 70 - 35 - 20=9, 3.0/38=4, 3.0/14=3...(15) HB3 MET 68 - HB3 MET 11 OK 24 92 - 26 - 2.9/27=3, 37/3.0=3...(12) HB3 LEU 72 - HB3 MET 11 OK 11 94 - 12 - 37/3.0=1, 13/3.0=1 HD3 LYS 86 - HB2 LYS 34 OK 10 36 - 28 - 3.0/572=2, 522/2.9=2...(8) HB3 LEU 72 - HB2 LYS 34 poor 9 61 - 14 - 2129/3.4=1, 2129/3.4=1 HB VAL 80 - HB3 MET 11 lone 8 100 - 8 - HB2 ARG 124 - HB2 LYS 34 poor 6 40 - 15 - ~10799=3, 3.0/4225=1...(5) HD3 LYS 36 - HB3 MET 11 lone 5 96 - 6 - HB2 ARG 141 - HB3 MET 11 lone 4 92 - 4 - HB VAL 80 - HB2 LYS 34 lone 2 69 - 3 - HB3 MET 68 - HB2 LYS 34 lone 1 59 - 2 - HD3 LYS 86 - HB3 MET 11 lone 1 62 - 2 - HD3 LYS 36 - HB2 LYS 34 lone 0 63 - 1 - HB2 ARG 141 - HB2 LYS 34 lone 0 59 - 1 - Peak 26 from cnoeabs.peaks (1.96, 1.96, 32.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB2 LYS 34 + HB2 LYS 34 OK 70 70 - 100 Peak 27 from cnoeabs.peaks (2.44, 1.96, 32.13 ppm; 3.04 A): 3 out of 16 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 33 + HB2 LYS 34 OK 53 63 - 83 - 4.3/6164=9, 32=9...(53) HB3 PRO 33 + HB3 MET 11 OK 48 96 - 50 - 21/1.8=8, 39/3.0=7, 32=6...(26) HG2 MET 68 - HB3 MET 11 OK 36 85 - 42 - 21/1.8=6, 39/3.0=4...(21) HG2 MET 11 - HB2 LYS 34 OK 30 70 - 44 - 1.8/38=9, 3.0/20=6, 32=5...(18) HG3 GLU 131 - HB2 LYS 34 lone 5 70 - 7 - ~9556=1 HG3 GLU 131 - HB3 MET 11 lone 5 100 - 5 - HG2 MET 68 - HB2 LYS 34 lone 4 53 - 8 - 6158/4.1=1 HG3 GLN 47 - HB3 MET 11 lone 4 62 - 6 - HG2 GLN 47 - HB3 MET 11 lone 4 62 - 6 - HB3 GLU 131 - HB3 MET 11 lone 3 72 - 5 - HB3 GLU 131 - HB2 LYS 34 lone 2 43 - 5 - HG3 GLU 28 - HB2 LYS 34 lone 2 40 - 5 - ~10808=1 HG3 GLU 28 - HB3 MET 11 lone 2 68 - 2 - HG2 GLN 47 - HB2 LYS 34 lone 2 36 - 4 - 6158/4.1=1 HG3 GLN 47 - HB2 LYS 34 lone 2 36 - 4 - 6158/4.1=1 Peak 28 from cnoeabs.peaks (2.37, 1.96, 32.13 ppm; 2.56 A): 4 out of 14 assignments used, quality = 0.91: * HG3 MET 11 + HB3 MET 11 OK 83 100 - 83 - 3.0=63, 3.3/44=10...(23) HG3 MET 11 + HB2 LYS 34 OK 23 70 - 33 - 38=8, 3.0/20=4, 1.8/32=3...(6) HG3 GLU 37 + HB3 MET 11 OK 20 92 - 22 - 22/1.8=4, 16/3.0=2...(10) HG3 GLU 37 + HB2 LYS 34 OK 14 59 - 24 - ~10918=5, 9799/3.0=4...(8) HG2 MET 59 - HB3 MET 11 lone 8 92 - 9 - 22/1.8=2, 16/3.0=1 HG2 GLN 25 - HB3 MET 11 poor 8 77 - 10 - 22/1.8=2, 46/4.2=1...(6) HG3 MET 59 - HB3 MET 11 lone 6 77 - 8 - 22/1.8=1 HB ILE 91 - HB3 MET 11 lone 4 77 - 5 - 46/4.2=1 HG2 MET 59 - HB2 LYS 34 lone 3 59 - 5 - HG2 MET 46 - HB3 MET 11 lone 2 72 - 3 - HB ILE 91 - HB2 LYS 34 lone 2 47 - 5 - 10522/2.9=1 HG2 MET 46 - HB2 LYS 34 lone 2 43 - 5 - 10715/1.8=1 HG3 MET 59 - HB2 LYS 34 lone 2 47 - 4 - HG2 GLN 25 - HB2 LYS 34 lone 2 47 - 3 - Peak 29 from cnoeabs.peaks (2.00, 1.96, 32.13 ppm; 2.50 A): 8 out of 20 assignments used, quality = 0.90: * QE MET 11 + HB3 MET 11 OK 64 100 - 64 - 44=30, 23/1.8=12...(14) HB3 GLU 90 + HB2 LYS 34 OK 25 68 - 37 - 2926/1.8=8, 2925/3.0=3...(14) HB3 GLU 37 + HB3 MET 11 OK 23 92 - 26 - 23/1.8=4, 3.0/28=3...(8) HB2 GLU 37 + HB3 MET 11 OK 20 81 - 25 - 23/1.8=4, 3.0/28=3...(10) HB3 GLU 37 + HB2 LYS 34 OK 14 59 - 24 - ~10918=3, 10515/3.0=2...(9) QE MET 11 + HB2 LYS 34 OK 13 70 - 19 - 44=8, 3.3/38=3, 4.2/20=2...(5) HB2 GLU 37 + HB2 LYS 34 OK 12 50 - 24 - ~10918=3, 10766/3.0=2...(9) HB2 GLN 111 + HB3 MET 11 OK 11 98 - 11 - 23/1.8=2, 2.9/24=2...(6) HG3 GLU 122 - HB2 LYS 34 lone 6 69 - 9 - 4089/2.9=1 HG3 GLU 122 - HB3 MET 11 lone 4 100 - 4 - HB VAL 63 - HB3 MET 11 lone 4 77 - 5 - ~8366=2 QE MET 59 - HB3 MET 11 lone 3 72 - 5 - HB3 GLU 90 - HB3 MET 11 lone 2 100 - 2 - HG3 PRO 52 - HB3 MET 11 lone 2 100 - 2 - QE MET 113 - HB3 MET 11 lone 1 85 - 1 - QE MET 59 - HB2 LYS 34 lone 1 43 - 2 - HB2 GLN 111 - HB2 LYS 34 lone 1 65 - 2 - HG3 PRO 52 - HB2 LYS 34 lone 1 70 - 1 - QE MET 113 - HB2 LYS 34 lone 1 53 - 1 - HB VAL 63 - HB2 LYS 34 lone 0 47 - 1 - Peak 30 from cnoeabs.peaks (4.66, 2.44, 31.73 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.99: * HA MET 11 + HG2 MET 11 OK 99 100 - 99 - 3.9=95, 36/1.8=31...(21) HA GLN 62 - HG2 MET 11 OK 33 100 - 33 - 36/1.8=9, 18/3.0=8...(7) HA MET 11 - HB3 PRO 33 OK 28 64 - 45 - 15=10, 3.0/21=8...(11) HA GLN 62 - HB3 PRO 33 poor 8 62 - 13 - 10525/2.3=2, 424/3.0=2...(4) HA ASN 139 - HG2 MET 11 lone 4 68 - 5 - 36/1.8=1, 42/3.3=1 HA ASN 139 - HB3 PRO 33 lone 3 36 - 8 - 10358/2.3=2, 422/3.0=1...(4) Peak 31 from cnoeabs.peaks (1.81, 2.44, 31.73 ppm; 3.12 A): 1 out of 16 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 MET 68 - HG2 MET 11 OK 37 92 - 41 - 37/1.8=6, 25/3.0=4...(22) HB2 MET 11 - HB3 PRO 33 OK 35 64 - 55 - 21=11, 1.8/27=8...(27) HB2 ARG 124 - HG2 MET 11 OK 31 68 - 46 - 37/1.8=6, 1.8/35=5...(20) HB3 MET 68 - HB3 PRO 33 OK 23 53 - 43 - 2.9/1987=5, 1.8/1963=4...(24) HB3 LEU 72 - HG2 MET 11 OK 18 94 - 19 - 37/1.8=3, 25/3.0=2...(7) HD3 LYS 36 - HB3 PRO 33 OK 17 58 - 30 - 719/2.3=4, 719/2.3=4...(12) HB VAL 80 - HG2 MET 11 OK 12 100 - 12 - 37/1.8=2, 2.1/8750=2, 2.1/9990=1 HD3 LYS 36 - HG2 MET 11 OK 10 96 - 11 - 37/1.8=2, 43/3.3=2, ~9762=1 HB2 ARG 141 - HG2 MET 11 lone 7 92 - 7 - HB VAL 80 - HB3 PRO 33 lone 4 63 - 6 - HB3 LEU 72 - HB3 PRO 33 lone 3 56 - 5 - HB2 ARG 124 - HB3 PRO 33 lone 2 36 - 6 - HD3 LYS 86 - HG2 MET 11 lone 2 62 - 3 - HB2 ARG 141 - HB3 PRO 33 lone 1 53 - 3 - HD3 LYS 86 - HB3 PRO 33 lone 1 33 - 2 - Peak 32 from cnoeabs.peaks (1.96, 2.44, 31.73 ppm; 3.31 A): 3 out of 14 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 + HB3 PRO 33 OK 56 64 - 88 - 6164/4.3=12, 496/1.8=10...(52) HB2 LYS 34 + HG2 MET 11 OK 49 100 - 49 - 38/1.8=10, 20/3.0=7...(19) HB3 ARG 124 - HG2 MET 11 OK 40 77 - 53 - 38/1.8=6, 29/3.0=6...(24) HB3 MET 11 - HB3 PRO 33 OK 38 64 - 59 - 27=11, 1.8/21=9...(26) HB ILE 56 - HG2 MET 11 OK 29 94 - 31 - 41/1.8=5, ~9186=5...(11) HB2 LYS 61 - HG2 MET 11 OK 22 98 - 22 - 44/3.3=5, 38/1.8=4...(9) HB3 PRO 98 - HB3 PRO 33 OK 10 45 - 22 - 6164/4.3=2, 3269/1.8=2...(10) HB2 LYS 61 - HB3 PRO 33 poor 7 59 - 12 - 1663/2.3=2 HB3 PRO 98 - HG2 MET 11 lone 6 81 - 7 - 38/1.8=1 HB3 ARG 124 - HB3 PRO 33 lone 4 42 - 9 - 6164/4.3=1 HB3 GLU 75 - HG2 MET 11 lone 3 68 - 4 - HB ILE 56 - HB3 PRO 33 lone 2 56 - 3 - HB3 GLU 75 - HB3 PRO 33 lone 0 36 - 1 - Peak 33 from cnoeabs.peaks (2.44, 2.44, 31.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 HB3 PRO 33 + HB3 PRO 33 OK 58 58 - 100 Peak 34 from cnoeabs.peaks (2.37, 2.44, 31.73 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 HG3 MET 11 - HB3 PRO 33 OK 28 64 - 45 - 39=12, 3.0/21=4...(21) HG3 GLU 37 - HG2 MET 11 OK 19 92 - 21 - 22/3.0=3, 28/3.0=3...(9) HG2 GLN 25 - HB3 PRO 33 OK 14 42 - 33 - 219/3.0=3, 221/2.3=3...(12) HG2 GLN 25 - HG2 MET 11 OK 11 77 - 14 - ~230=2, 46/3.3=2, ~214=2...(7) HG2 MET 59 - HG2 MET 11 lone 8 92 - 9 - 22/3.0=1 HB ILE 91 - HG2 MET 11 lone 6 77 - 8 - ~10600=2, ~10599=2, 46/3.3=1 HG3 MET 59 - HG2 MET 11 lone 6 77 - 8 - HG2 MET 46 - HG2 MET 11 lone 5 72 - 7 - ~9763=1, ~10664=1 HG3 GLU 37 - HB3 PRO 33 lone 2 53 - 3 - HG2 MET 46 - HB3 PRO 33 lone 1 39 - 3 - HB ILE 91 - HB3 PRO 33 lone 1 42 - 2 - HG2 MET 59 - HB3 PRO 33 lone 0 53 - 1 - HG3 MET 59 - HB3 PRO 33 lone 0 42 - 1 - Peak 35 from cnoeabs.peaks (2.00, 2.44, 31.73 ppm; 2.71 A): 6 out of 20 assignments used, quality = 0.93: * QE MET 11 + HG2 MET 11 OK 78 100 - 78 - 3.3=54, 46/1.8=19...(14) HB3 GLU 37 + HG2 MET 11 OK 28 92 - 30 - 41/1.8=4, 23/3.0=3...(16) HB2 GLU 37 + HG2 MET 11 OK 24 81 - 30 - 41/1.8=4, 23/3.0=3...(16) QE MET 11 + HB3 PRO 33 OK 20 64 - 31 - 45=6, 3.3/39=5, 4.2/21=3...(7) HG3 PRO 52 + HB3 PRO 33 OK 19 64 - 30 - 1374/1.8=2, ~1357=2...(22) HB2 GLN 111 + HG2 MET 11 OK 14 98 - 14 - 41/1.8=2, 23/3.0=2...(6) HG3 GLU 122 - HB3 PRO 33 poor 8 63 - 12 - 4091/2.3=2, 4091/2.3=2, ~10997=1 HG3 GLU 122 - HG2 MET 11 lone 5 100 - 5 - HB VAL 63 - HG2 MET 11 lone 5 77 - 6 - ~8361=2 HG3 PRO 52 - HG2 MET 11 lone 4 100 - 4 - QE MET 59 - HG2 MET 11 lone 4 72 - 5 - HB3 GLU 37 - HB3 PRO 33 lone 3 53 - 6 - HB3 GLU 90 - HG2 MET 11 lone 3 100 - 3 - HB2 GLU 37 - HB3 PRO 33 lone 2 45 - 5 - HB3 GLU 90 - HB3 PRO 33 lone 2 62 - 4 - HB2 GLN 111 - HB3 PRO 33 lone 2 59 - 4 - HB VAL 63 - HB3 PRO 33 lone 2 42 - 5 - 8363/2.3=2 QE MET 113 - HG2 MET 11 lone 1 85 - 2 - QE MET 59 - HB3 PRO 33 lone 0 39 - 1 - QE MET 113 - HB3 PRO 33 lone 0 48 - 0 - Peak 36 from cnoeabs.peaks (4.66, 2.37, 31.73 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.99: * HA MET 11 + HG3 MET 11 OK 99 100 - 99 - 3.9=94, 3.0/38=22...(18) HA GLN 62 - HG3 MET 11 OK 32 100 - 32 - 18/3.0=8, 30/1.8=7...(8) HA ASN 139 - HG3 MET 11 lone 4 68 - 5 - Peak 37 from cnoeabs.peaks (1.81, 2.37, 31.73 ppm; 3.25 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 HB3 MET 68 - HG3 MET 11 OK 40 92 - 44 - 2.9/39=5, 31/1.8=5...(23) HB2 ARG 124 - HG3 MET 11 OK 32 68 - 48 - 1.8/41=8, 25/3.0=5...(20) HB3 LEU 72 - HG3 MET 11 OK 19 94 - 20 - 31/1.8=2, 25/3.0=2...(6) HB VAL 80 - HG3 MET 11 OK 12 100 - 12 - ~9990=2, 31/1.8=2...(4) HD3 LYS 36 - HG3 MET 11 OK 11 96 - 11 - 43/3.3=2, ~9762=2, 31/1.8=1 HB2 ARG 141 - HG3 MET 11 lone 6 92 - 6 - HD3 LYS 86 - HG3 MET 11 lone 2 62 - 3 - Peak 38 from cnoeabs.peaks (1.96, 2.37, 31.73 ppm; 2.89 A): 1 out of 7 assignments used, quality = 0.97: * HB3 MET 11 + HG3 MET 11 OK 97 100 - 97 - 3.0=91, 3.0/36=14...(23) HB2 LYS 34 - HG3 MET 11 OK 38 100 - 38 - 28=6, 20/3.0=6, 32/1.8=4...(16) HB3 ARG 124 - HG3 MET 11 OK 33 77 - 43 - 41=6, 1.8/37=5, 29/3.0=4...(19) HB ILE 56 - HG3 MET 11 OK 26 94 - 27 - 41=5, 2.1/9186=5...(8) HB2 LYS 61 - HG3 MET 11 OK 16 98 - 16 - 44/3.3=4, 20/3.0=2...(5) HB3 PRO 98 - HG3 MET 11 lone 5 81 - 5 - HB3 GLU 75 - HG3 MET 11 lone 2 68 - 3 - Peak 39 from cnoeabs.peaks (2.44, 2.37, 31.73 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 1.8=100 HB3 PRO 33 - HG3 MET 11 OK 41 96 - 42 - 34=8, 21/3.0=4, 27/3.0=3...(21) HG2 MET 68 - HG3 MET 11 OK 26 85 - 30 - 34=4, 27/3.0=3, 21/3.0=3...(11) HG3 GLU 131 - HG3 MET 11 lone 3 100 - 3 - HB3 GLU 131 - HG3 MET 11 lone 2 72 - 3 - HG2 GLN 47 - HG3 MET 11 lone 2 62 - 3 - HG3 GLN 47 - HG3 MET 11 lone 2 62 - 3 - HG3 GLU 28 - HG3 MET 11 lone 1 68 - 2 - Peak 40 from cnoeabs.peaks (2.37, 2.37, 31.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 41 from cnoeabs.peaks (2.00, 2.37, 31.73 ppm; 3.17 A): 2 out of 10 assignments used, quality = 0.97: * QE MET 11 + HG3 MET 11 OK 95 100 - 95 - 3.3=86, 44/3.0=18...(16) HB3 GLU 37 + HG3 MET 11 OK 37 92 - 40 - 35/1.8=5, 23/3.0=5...(18) HB2 GLU 37 - HG3 MET 11 OK 32 81 - 39 - 35/1.8=4, 23/3.0=4...(18) HB2 GLN 111 - HG3 MET 11 OK 21 98 - 21 - 2.9/36=3, 35/1.8=3...(9) HB VAL 63 - HG3 MET 11 poor 9 77 - 11 - 2.1/8361=4 QE MET 59 - HG3 MET 11 poor 8 72 - 11 - 10107/9127=2 HG3 GLU 122 - HG3 MET 11 lone 7 100 - 7 - HG3 PRO 52 - HG3 MET 11 lone 7 100 - 7 - HB3 GLU 90 - HG3 MET 11 lone 5 100 - 5 - QE MET 113 - HG3 MET 11 lone 3 85 - 3 - Peak 42 from cnoeabs.peaks (4.66, 2.00, 16.64 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.95: * HA MET 11 + QE MET 11 OK 93 100 - 93 - 5.1=55, 3.0/44=27...(14) HA GLN 62 + QE MET 11 OK 34 100 - 34 - 36/3.3=7, 18/4.2=7...(8) HA ASN 139 - QE MET 11 lone 5 68 - 8 - 9339/10599=1, 10361=1 Peak 43 from cnoeabs.peaks (1.81, 2.00, 16.64 ppm; 5.46 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + QE MET 11 OK 100 100 - 100 - 4.2=100 HB3 MET 68 + QE MET 11 OK 55 92 - 60 - 37/3.3=9, 2.9/45=8...(21) HB2 ARG 124 - QE MET 11 OK 43 68 - 64 - 25/4.2=8, ~41=8...(16) HD3 LYS 36 - QE MET 11 OK 34 96 - 35 - 3.0/9762=11, 3.0/9762=10...(8) HB3 LEU 72 - QE MET 11 OK 27 94 - 29 - 37/3.3=4, 13/5.1=3...(10) HB VAL 80 - QE MET 11 OK 19 100 - 18 - ~9990=3, ~8750=3...(7) HB2 ARG 141 - QE MET 11 OK 13 92 - 14 - 2.8/10598=3, 37/3.3=1...(6) HD3 LYS 86 - QE MET 11 lone 5 62 - 8 - 3.5/10664=2 Peak 44 from cnoeabs.peaks (1.96, 2.00, 16.64 ppm; 2.50 A): 5 out of 7 assignments used, quality = 0.79: * HB3 MET 11 + QE MET 11 OK 60 100 - 60 - 4.2=22, 1.8/23=12...(14) HB2 LYS 61 + QE MET 11 OK 18 98 - 18 - 3.0/8016=3, 3.6/10598=3...(7) HB3 ARG 124 + QE MET 11 OK 16 77 - 21 - 1.8/43=4, 38/3.3=2...(10) HB2 LYS 34 + QE MET 11 OK 15 100 - 15 - 38/3.3=3, 29=3, 20/4.2=2...(5) HB ILE 56 + QE MET 11 OK 11 94 - 11 - 41/3.3=2, ~9186=1...(5) HB3 PRO 98 - QE MET 11 lone 3 81 - 3 - HB3 GLU 75 - QE MET 11 lone 1 68 - 2 - Peak 45 from cnoeabs.peaks (2.44, 2.00, 16.64 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 11 + QE MET 11 OK 100 100 - 100 - 3.3=100 HB3 PRO 33 + QE MET 11 OK 45 96 - 47 - 39/3.3=7, 21/4.2=5...(22) HG2 MET 68 - QE MET 11 OK 30 85 - 36 - 39/3.3=5, 2.9/43=4...(14) HG3 GLU 131 - QE MET 11 lone 4 100 - 4 - HG3 GLN 47 - QE MET 11 lone 4 62 - 6 - 3.5/8180=1 HG2 GLN 47 - QE MET 11 lone 4 62 - 6 - 3.5/8180=1 HB3 GLU 131 - QE MET 11 lone 3 72 - 4 - HG3 GLU 28 - QE MET 11 lone 3 68 - 4 - Peak 46 from cnoeabs.peaks (2.37, 2.00, 16.64 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HG3 MET 11 + QE MET 11 OK 100 100 - 100 - 3.3=100 HG3 GLU 37 - QE MET 11 OK 29 92 - 32 - 22/4.2=4, 28/4.2=4...(14) HB ILE 91 - QE MET 11 OK 28 77 - 37 - 3.0/10600=15...(6) HG2 GLN 25 - QE MET 11 OK 23 77 - 30 - 2.9/10664=12, ~214=2...(9) HG2 MET 46 - QE MET 11 OK 20 72 - 27 - 3.0/10664=12...(3) HG2 MET 59 - QE MET 11 OK 18 92 - 19 - 22/4.2=2, 34/3.3=1...(6) HG3 MET 59 - QE MET 11 OK 12 77 - 16 - 22/4.2=1, 34/3.3=1 Peak 47 from cnoeabs.peaks (2.00, 2.00, 16.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 48 from cnoeabs.peaks (4.66, 3.58, 50.40 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.93: * HA MET 11 + HD2 PRO 12 OK 90 100 - 90 - 3.8=54, 51/1.8=33...(13) HA GLN 62 + HD2 PRO 12 OK 24 100 - 24 - 50/1.8=7, 8019/2.3=3...(7) HA ASN 139 - HD2 PRO 12 lone 2 68 - 3 - Peak 49 from cnoeabs.peaks (3.58, 4.66, 52.83 ppm; 3.05 A): 1 out of 1 assignment used, quality = 0.90: * HD2 PRO 12 + HA MET 11 OK 90 100 - 90 - 3.8=52, 1.8/51=33...(13) Peak 50 from cnoeabs.peaks (4.66, 3.65, 50.40 ppm; 3.12 A): 2 out of 3 assignments used, quality = 0.93: * HA MET 11 + HD3 PRO 12 OK 91 100 - 91 - 3.8=56, 49/1.8=35...(12) HA GLN 62 + HD3 PRO 12 OK 24 100 - 24 - 48/1.8=7, 8019/2.3=3...(7) HA ASN 139 - HD3 PRO 12 lone 2 68 - 3 - Peak 51 from cnoeabs.peaks (3.65, 4.66, 52.83 ppm; 2.79 A): 2 out of 3 assignments used, quality = 0.84: * HD3 PRO 12 + HA MET 11 OK 81 100 - 81 - 3.8=40, 1.8/49=29...(12) HA THR 92 + HA MET 11 OK 12 96 - 12 - 8009/3.0=2, 58/3.8=2...(7) HA2 GLY 94 - HA MET 11 lone 7 89 - 7 - 58/3.8=2, 8011/3.0=1...(5) Peak 52 from cnoeabs.peaks (4.33, 3.58, 50.40 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 3.6=100 HA TYR 70 + HD2 PRO 12 OK 54 100 - 54 - 9937/3.0=28, 76/3.0=12...(6) HA ILE 56 - HD2 PRO 12 lone 5 62 - 8 - 1445/4.8=1, ~6508=1, 60/1.8=1 Peak 53 from cnoeabs.peaks (1.76, 3.58, 50.40 ppm; 3.92 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 3.0=100 HG LEU 95 + HD2 PRO 12 OK 67 100 - 67 - ~8732=12, 93/2.3=10...(19) HB ILE 83 + HD2 PRO 12 OK 64 96 - 66 - 61/1.8=9, 85/3.0=8...(39) HB3 ARG 35 - HD2 PRO 12 OK 17 89 - 19 - 61/1.8=3, 101/2.3=2...(8) HG LEU 39 - HD2 PRO 12 lone 5 68 - 7 - Peak 54 from cnoeabs.peaks (2.22, 3.58, 50.40 ppm; 4.79 A): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 3.0=100 HG2 GLU 28 + HD2 PRO 12 OK 64 99 - 65 - 62/1.8=12, 78/3.0=8...(21) HB2 GLU 28 + HD2 PRO 12 OK 61 100 - 61 - 62/1.8=11, 78/3.0=9...(20) Peak 55 from cnoeabs.peaks (1.92, 3.58, 50.40 ppm; 2.93 A): 2 out of 13 assignments used, quality = 1.00: * HG2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 2.3=100 HG3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 - HD2 PRO 12 OK 32 81 - 39 - 3.0/53=4, 105=3...(22) HB3 PRO 52 - HD2 PRO 12 OK 29 77 - 38 - 2.3/55=4, 96/2.3=3...(16) HG2 PRO 52 - HD2 PRO 12 OK 27 72 - 37 - 2.3/55=4, 96/2.3=2...(14) HB2 LYS 86 - HD2 PRO 12 OK 21 89 - 24 - ~10050=3, 96/2.3=3...(10) HB2 PRO 118 - HD2 PRO 12 OK 18 99 - 18 - 1.8/8001=3, 96/2.3=2...(7) HB3 LEU 132 - HD2 PRO 12 OK 17 100 - 17 - 55=3, 103/2.3=2...(5) HB2 GLN 62 - HD2 PRO 12 OK 14 100 - 14 - 3.0/48=4, ~50=2...(5) HB2 ARG 140 - HD2 PRO 12 lone 9 100 - 9 - 10374/3.8=1, 96/2.3=1, 64/1.8=1 HB ILE 136 - HD2 PRO 12 poor 9 72 - 12 - 55=2, 63/1.8=1...(5) HB2 MET 59 - HD2 PRO 12 lone 7 96 - 7 - HB2 ARG 89 - HD2 PRO 12 lone 4 92 - 4 - Peak 56 from cnoeabs.peaks (1.92, 3.58, 50.40 ppm; 2.93 A): 2 out of 13 assignments used, quality = 1.00: * HG3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 - HD2 PRO 12 OK 35 89 - 40 - 3.0/53=4, 105=3...(22) HB3 PRO 52 - HD2 PRO 12 OK 26 68 - 38 - 2.3/55=4, 96/2.3=3...(16) HG2 PRO 52 - HD2 PRO 12 OK 23 62 - 37 - 2.3/55=4, 96/2.3=2...(14) HB2 LYS 86 - HD2 PRO 12 OK 23 94 - 24 - ~10050=3, 96/2.3=3...(10) HB2 PRO 118 - HD2 PRO 12 OK 19 100 - 19 - 1.8/8001=3, 96/2.3=2...(7) HB3 LEU 132 - HD2 PRO 12 OK 17 100 - 17 - 55=2, 103/2.3=2...(5) HB2 GLN 62 - HD2 PRO 12 OK 14 100 - 14 - 3.0/48=4, ~50=2...(5) HB ILE 136 - HD2 PRO 12 OK 10 81 - 12 - 55=2, 63/1.8=1...(5) HB2 ARG 140 - HD2 PRO 12 lone 9 99 - 9 - 10374/3.8=1, 96/2.3=1, 64/1.8=1 HB2 MET 59 - HD2 PRO 12 lone 7 99 - 7 - HB2 ARG 89 - HD2 PRO 12 lone 4 85 - 4 - Peak 57 from cnoeabs.peaks (3.58, 3.58, 50.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 Peak 58 from cnoeabs.peaks (3.65, 3.58, 50.40 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 1.8=100 HA THR 92 - HD2 PRO 12 OK 16 96 - 17 - 82/3.0=3, 90/3.0=2...(7) HA2 GLY 94 - HD2 PRO 12 OK 12 89 - 13 - ~3116=2, 82/3.0=2...(7) Peak 60 from cnoeabs.peaks (4.33, 3.65, 50.40 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 3.6=100 HA TYR 70 + HD3 PRO 12 OK 63 100 - 63 - 9937/3.0=35, 52/1.8=16...(6) HA ILE 56 - HD3 PRO 12 poor 7 62 - 11 - 1445/4.8=2, ~6508=2, 52/1.8=2 Peak 61 from cnoeabs.peaks (1.76, 3.65, 50.40 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 3.0=100 HG LEU 95 + HD3 PRO 12 OK 74 100 - 74 - 2.1/8732=19, 53/1.8=11...(20) HB ILE 83 + HD3 PRO 12 OK 70 96 - 72 - 53/1.8=10, 85/3.0=8...(40) HB3 ARG 35 - HD3 PRO 12 OK 20 89 - 22 - 53/1.8=3, 101/2.3=3...(11) HG LEU 39 - HD3 PRO 12 lone 6 68 - 8 - Peak 62 from cnoeabs.peaks (2.22, 3.65, 50.40 ppm; 4.63 A): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 3.0=100 HG2 GLU 28 + HD3 PRO 12 OK 62 99 - 62 - 54/1.8=11, 78/3.0=8...(20) HB2 GLU 28 + HD3 PRO 12 OK 59 100 - 59 - 54/1.8=10, 78/3.0=8...(19) Peak 63 from cnoeabs.peaks (1.92, 3.65, 50.40 ppm; 3.09 A): 2 out of 13 assignments used, quality = 1.00: * HG2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 2.3=100 HG3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 - HD3 PRO 12 OK 35 81 - 43 - 3.0/61=4, 56/1.8=3...(25) HB3 PRO 52 - HD3 PRO 12 OK 32 77 - 42 - 2.3/63=5, 56/1.8=3...(18) HG2 PRO 52 - HD3 PRO 12 OK 29 72 - 41 - 2.3/63=5, 56/1.8=3...(27) HB2 LYS 86 - HD3 PRO 12 OK 24 89 - 27 - 3.0/10050=5, 96/2.3=3...(13) HB2 PRO 118 - HD3 PRO 12 OK 20 99 - 20 - ~8001=3, ~10666=2...(9) HB3 LEU 132 - HD3 PRO 12 OK 19 100 - 19 - 63=3, 103/2.3=2...(7) HB2 GLN 62 - HD3 PRO 12 OK 16 100 - 16 - 3.0/50=5, ~48=3...(6) HB2 ARG 140 - HD3 PRO 12 OK 10 100 - 10 - 10374/3.8=2, 96/2.3=1, 56/1.8=1 HB ILE 136 - HD3 PRO 12 OK 10 72 - 14 - 63=2, 55/1.8=1...(7) HB2 MET 59 - HD3 PRO 12 lone 9 96 - 9 - 3.0/8002=1 HB2 ARG 89 - HD3 PRO 12 lone 4 92 - 4 - Peak 64 from cnoeabs.peaks (1.92, 3.65, 50.40 ppm; 3.09 A): 2 out of 13 assignments used, quality = 1.00: * HG3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 - HD3 PRO 12 OK 39 89 - 44 - 3.0/61=4, 56/1.8=3...(25) HB3 PRO 52 - HD3 PRO 12 OK 28 68 - 42 - 2.3/63=5, 56/1.8=3...(18) HB2 LYS 86 - HD3 PRO 12 OK 26 94 - 28 - 3.0/10050=5, 96/2.3=3...(13) HG2 PRO 52 - HD3 PRO 12 OK 25 62 - 41 - 2.3/63=5, 56/1.8=3...(27) HB2 PRO 118 - HD3 PRO 12 OK 21 100 - 21 - ~8001=3, 96/2.3=2...(9) HB3 LEU 132 - HD3 PRO 12 OK 19 100 - 19 - 63=3, 103/2.3=2...(7) HB2 GLN 62 - HD3 PRO 12 OK 16 100 - 16 - 3.0/50=5, ~48=3...(6) HB ILE 136 - HD3 PRO 12 OK 12 81 - 14 - 63=2, 55/1.8=1...(7) HB2 ARG 140 - HD3 PRO 12 OK 10 99 - 10 - 10374/3.8=1, 96/2.3=1, 56/1.8=1 HB2 MET 59 - HD3 PRO 12 lone 9 99 - 9 - 3.0/8002=1 HB2 ARG 89 - HD3 PRO 12 lone 4 85 - 4 - Peak 65 from cnoeabs.peaks (3.58, 3.65, 50.40 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 1.8=100 Peak 66 from cnoeabs.peaks (3.65, 3.65, 50.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 Peak 68 from cnoeabs.peaks (4.33, 4.33, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 12 + HA PRO 12 OK 100 100 - 100 Peak 69 from cnoeabs.peaks (1.76, 4.33, 63.12 ppm; 3.16 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 12 + HA PRO 12 OK 100 100 - 100 - 2.3=100 HB ILE 83 - HA PRO 12 OK 39 96 - 40 - 85/2.3=7, 53/3.6=4...(19) HG LEU 95 - HA PRO 12 OK 38 100 - 38 - 85/2.3=8, 93/3.8=5...(14) HB3 ARG 35 - HA PRO 12 OK 12 89 - 13 - 85/2.3=2, ~596=1...(7) HG LEU 39 - HA PRO 12 lone 4 68 - 5 - Peak 70 from cnoeabs.peaks (2.22, 4.33, 63.12 ppm; 2.91 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 12 + HA PRO 12 OK 100 100 - 100 - 2.3=100 HB2 GLU 28 - HA PRO 12 OK 29 100 - 29 - 78/2.3=6, 70=5, 62/3.6=3...(11) HG2 GLU 28 - HA PRO 12 OK 26 99 - 26 - 78/2.3=6, 3.0/70=4...(14) Peak 71 from cnoeabs.peaks (1.92, 4.33, 63.12 ppm; 3.35 A): 2 out of 13 assignments used, quality = 0.95: HG3 PRO 12 + HA PRO 12 OK 77 100 - 77 - 3.8=66, 1.8/92=21...(5) * HG2 PRO 12 + HA PRO 12 OK 76 100 - 76 - 3.8=66, 8019/4.8=12...(5) HB3 PRO 52 - HA PRO 12 OK 28 77 - 37 - 3.0/8235=11, 2.3/71=5...(15) HG13 ILE 83 - HA PRO 12 OK 28 81 - 34 - 3.0/69=6, 2532/2.3=4...(16) HG2 PRO 52 - HA PRO 12 OK 26 72 - 37 - 2.3/8235=13, 2.3/71=5...(15) HB3 LEU 132 - HA PRO 12 OK 15 100 - 15 - 71=2, 79/2.3=2, 87/2.3=2...(7) HB2 LYS 86 - HA PRO 12 OK 11 89 - 12 - 88/2.3=3, 80/2.3=3...(5) HB ILE 136 - HA PRO 12 OK 10 72 - 14 - 71=2, ~10759=2, ~11135=2...(7) HB2 PRO 118 - HA PRO 12 lone 10 99 - 10 - 88/2.3=2, 80/2.3=2...(5) HB2 ARG 140 - HA PRO 12 lone 7 100 - 7 - 10374/4.8=1, 80/2.3=1, 88/2.3=1 HB2 GLN 62 - HA PRO 12 lone 6 100 - 6 - 1757/4.8=2 HB2 MET 59 - HA PRO 12 lone 5 96 - 5 - HB2 ARG 89 - HA PRO 12 lone 3 92 - 3 - Peak 72 from cnoeabs.peaks (1.92, 4.33, 63.12 ppm; 3.35 A): 2 out of 13 assignments used, quality = 0.95: * HG3 PRO 12 + HA PRO 12 OK 77 100 - 77 - 3.8=66, 1.8/92=21...(5) HG2 PRO 12 + HA PRO 12 OK 76 100 - 76 - 3.8=66, 8019/4.8=12...(5) HG13 ILE 83 - HA PRO 12 OK 31 89 - 35 - 3.0/69=6, 2532/2.3=4...(16) HB3 PRO 52 - HA PRO 12 OK 25 68 - 37 - 3.0/8235=11, 2.3/71=5...(15) HG2 PRO 52 - HA PRO 12 OK 23 62 - 37 - 2.3/8235=13, 2.3/71=5...(15) HB3 LEU 132 - HA PRO 12 OK 14 100 - 14 - 71=2, 79/2.3=2, 87/2.3=2...(7) HB2 LYS 86 - HA PRO 12 OK 12 94 - 13 - 88/2.3=3, 80/2.3=3...(5) HB ILE 136 - HA PRO 12 OK 12 81 - 14 - 71=2, ~10759=2, ~11135=2...(7) HB2 PRO 118 - HA PRO 12 OK 11 100 - 11 - 88/2.3=2, 80/2.3=2...(5) HB2 ARG 140 - HA PRO 12 lone 7 99 - 7 - 10374/4.8=1, 80/2.3=1, 88/2.3=1 HB2 GLN 62 - HA PRO 12 lone 6 100 - 6 - 1757/4.8=2 HB2 MET 59 - HA PRO 12 lone 5 99 - 5 - HB2 ARG 89 - HA PRO 12 lone 3 85 - 3 - Peak 73 from cnoeabs.peaks (3.58, 4.33, 63.12 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HA PRO 12 OK 100 100 - 100 - 3.6=100 Peak 74 from cnoeabs.peaks (3.65, 4.33, 63.12 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 12 + HA PRO 12 OK 100 100 - 100 - 3.6=100 HA THR 92 - HA PRO 12 OK 44 96 - 46 - 3.2/11578=17, 82/2.3=10...(8) HA2 GLY 94 - HA PRO 12 OK 23 89 - 26 - 82/2.3=7, 90/2.3=7...(8) Peak 75 from cnoeabs.peaks (8.35, 4.33, 63.12 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.77: * H ASP 13 + HA PRO 12 OK 77 100 - 77 - 3.5=56, 6005/2.3=14...(9) H GLY 78 - HA PRO 12 lone 9 96 - 9 - 83/2.3=3, 91/2.3=2 Peak 76 from cnoeabs.peaks (4.33, 1.76, 31.89 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HA TYR 70 - HB2 PRO 12 OK 38 100 - 38 - 9937/1.8=13, 6003/3.9=4...(13) HA ILE 56 - HB2 PRO 12 lone 3 62 - 4 - Peak 77 from cnoeabs.peaks (1.76, 1.76, 31.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 12 + HB2 PRO 12 OK 100 100 - 100 Peak 78 from cnoeabs.peaks (2.22, 1.76, 31.89 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 1.8=100 HB2 GLU 28 - HB2 PRO 12 OK 26 100 - 26 - 78=5, 70/2.3=4, 94/2.3=2...(10) HG2 GLU 28 - HB2 PRO 12 OK 26 99 - 26 - 70/2.3=4, 3.0/78=3...(11) Peak 79 from cnoeabs.peaks (1.92, 1.76, 31.89 ppm; 2.51 A): 2 out of 13 assignments used, quality = 1.00: * HG2 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HG3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 - HB2 PRO 12 OK 27 81 - 33 - 2.1/2540=4, 3.2/2516=3...(14) HB3 PRO 52 - HB2 PRO 12 OK 26 77 - 34 - 2.3/79=4, ~8235=4...(10) HG2 PRO 52 - HB2 PRO 12 OK 24 72 - 33 - ~8235=5, 2.3/79=4...(11) HB2 LYS 86 - HB2 PRO 12 OK 15 88 - 17 - 96/2.3=2, 88/1.8=2...(7) HB3 LEU 132 - HB2 PRO 12 OK 14 100 - 14 - 79=2, 103/2.3=2...(4) HB2 PRO 118 - HB2 PRO 12 OK 13 99 - 13 - ~8001=2, 96/2.3=1...(4) HB ILE 136 - HB2 PRO 12 lone 7 72 - 10 - 2.5/10759=2, 79=1 HB2 GLN 62 - HB2 PRO 12 lone 6 100 - 6 - HB2 ARG 140 - HB2 PRO 12 lone 6 100 - 6 - HB2 MET 59 - HB2 PRO 12 lone 5 96 - 5 - HB2 ARG 89 - HB2 PRO 12 lone 3 91 - 3 - Peak 80 from cnoeabs.peaks (1.92, 1.76, 31.89 ppm; 2.51 A): 2 out of 13 assignments used, quality = 1.00: * HG3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 12 + HB2 PRO 12 OK 99 99 - 100 - 2.3=100 HG13 ILE 83 - HB2 PRO 12 OK 30 88 - 34 - 2.1/2540=4, 2532=3...(14) HB3 PRO 52 - HB2 PRO 12 OK 22 67 - 34 - 2.3/79=4, ~8235=4...(10) HG2 PRO 52 - HB2 PRO 12 OK 20 62 - 33 - ~8235=5, 2.3/79=4...(11) HB2 LYS 86 - HB2 PRO 12 OK 16 94 - 18 - 96/2.3=2, 88/1.8=2...(7) HB3 LEU 132 - HB2 PRO 12 OK 14 100 - 14 - 79=2, 103/2.3=1...(4) HB2 PRO 118 - HB2 PRO 12 OK 13 100 - 13 - ~8001=2, 96/2.3=1...(4) HB ILE 136 - HB2 PRO 12 lone 8 81 - 10 - 2.5/10759=2, 79=1 HB2 GLN 62 - HB2 PRO 12 lone 6 99 - 6 - HB2 ARG 140 - HB2 PRO 12 lone 6 99 - 6 - HB2 MET 59 - HB2 PRO 12 lone 5 99 - 5 - HB2 ARG 89 - HB2 PRO 12 lone 3 85 - 3 - Peak 81 from cnoeabs.peaks (3.58, 1.76, 31.89 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 3.0=100 Peak 82 from cnoeabs.peaks (3.65, 1.76, 31.89 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 3.0=100 HA THR 92 - HB2 PRO 12 OK 38 96 - 40 - 90/1.8=8, 74/2.3=7...(11) HA2 GLY 94 - HB2 PRO 12 OK 26 88 - 30 - 90/1.8=6, 3.5/7118=5...(10) Peak 83 from cnoeabs.peaks (8.35, 1.76, 31.89 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 13 + HB2 PRO 12 OK 100 100 - 100 - 3.9=100 H GLY 78 - HB2 PRO 12 OK 20 96 - 20 - 91/1.8=6, 75/2.3=5...(6) Peak 84 from cnoeabs.peaks (4.33, 2.22, 31.89 ppm; 2.91 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HA TYR 70 - HB3 PRO 12 OK 40 100 - 40 - 9937=11, 76/1.8=8...(13) HA ILE 56 - HB3 PRO 12 lone 2 62 - 4 - Peak 85 from cnoeabs.peaks (1.76, 2.22, 31.89 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 1.8=100 HG LEU 95 - HB3 PRO 12 OK 39 100 - 40 - 85=8, 93/2.3=5...(20) HB ILE 83 - HB3 PRO 12 OK 35 96 - 36 - 69/2.3=4, 85=3, 53/3.0=3...(16) HB3 ARG 35 - HB3 PRO 12 poor 10 88 - 11 - 85=2, 69/2.3=1, 93/2.3=1 HG LEU 39 - HB3 PRO 12 lone 2 67 - 3 - Peak 86 from cnoeabs.peaks (2.22, 2.22, 31.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 Peak 87 from cnoeabs.peaks (1.92, 2.22, 31.89 ppm; 2.78 A): 2 out of 13 assignments used, quality = 1.00: * HG2 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HG3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 - HB3 PRO 12 OK 33 77 - 43 - ~8235=5, 2.3/87=4, 88=3...(17) HG13 ILE 83 - HB3 PRO 12 OK 32 81 - 40 - 3.0/85=4, 80/1.8=3...(23) HG2 PRO 52 - HB3 PRO 12 OK 30 72 - 43 - ~8235=6, 2.3/87=4, 88=3...(15) HB2 LYS 86 - HB3 PRO 12 OK 21 88 - 23 - 88=3, 96/2.3=3, 80/1.8=2...(11) HB2 PRO 118 - HB3 PRO 12 OK 17 99 - 17 - ~8001=2, 88=2, 96/2.3=2...(8) HB3 LEU 132 - HB3 PRO 12 OK 16 100 - 16 - 87=2, 103/2.3=2...(7) HB ILE 136 - HB3 PRO 12 poor 9 72 - 12 - 87=2, ~10759=2, 79/1.8=1...(5) HB2 ARG 140 - HB3 PRO 12 lone 8 100 - 8 - 96/2.3=1, 88=1 HB2 GLN 62 - HB3 PRO 12 lone 8 100 - 8 - ~50=1, ~48=1 HB2 MET 59 - HB3 PRO 12 lone 7 96 - 7 - HB2 ARG 89 - HB3 PRO 12 lone 4 91 - 4 - Peak 88 from cnoeabs.peaks (1.92, 2.22, 31.89 ppm; 2.78 A): 2 out of 13 assignments used, quality = 1.00: * HG3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 12 + HB3 PRO 12 OK 99 99 - 100 - 2.3=100 HG13 ILE 83 - HB3 PRO 12 OK 36 88 - 41 - 3.0/85=4, 2532/1.8=3...(23) HB3 PRO 52 - HB3 PRO 12 OK 29 67 - 43 - ~8235=5, 2.3/87=4, 88=4...(17) HG2 PRO 52 - HB3 PRO 12 OK 26 62 - 43 - ~8235=6, 2.3/87=4, 88=3...(15) HB2 LYS 86 - HB3 PRO 12 OK 22 94 - 24 - 88=3, 96/2.3=3, 80/1.8=3...(11) HB2 PRO 118 - HB3 PRO 12 OK 18 100 - 18 - ~8001=2, 88=2, 96/2.3=2...(8) HB3 LEU 132 - HB3 PRO 12 OK 16 100 - 16 - 87=2, 103/2.3=2...(7) HB ILE 136 - HB3 PRO 12 poor 10 81 - 12 - 87=2, ~10759=2, 79/1.8=1...(5) HB2 GLN 62 - HB3 PRO 12 lone 8 99 - 8 - ~50=1, ~48=1 HB2 ARG 140 - HB3 PRO 12 lone 8 99 - 8 - 96/2.3=1, 88=1 HB2 MET 59 - HB3 PRO 12 lone 7 99 - 7 - HB2 ARG 89 - HB3 PRO 12 lone 4 85 - 4 - Peak 89 from cnoeabs.peaks (3.58, 2.22, 31.89 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 3.0=100 Peak 90 from cnoeabs.peaks (3.65, 2.22, 31.89 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 3.0=100 HA THR 92 - HB3 PRO 12 OK 38 96 - 40 - 82/1.8=9, 74/2.3=8...(11) HA2 GLY 94 - HB3 PRO 12 OK 27 88 - 30 - 82/1.8=6, 74/2.3=4...(10) Peak 91 from cnoeabs.peaks (8.35, 2.22, 31.89 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 13 + HB3 PRO 12 OK 100 100 - 100 - 3.9=100 H GLY 78 - HB3 PRO 12 OK 20 96 - 21 - 83/1.8=7, 75/2.3=5...(5) Peak 92 from cnoeabs.peaks (4.33, 1.92, 27.30 ppm; 3.49 A): 2 out of 6 assignments used, quality = 0.97: HA PRO 12 + HG3 PRO 12 OK 83 99 - 84 - 3.8=74, 92/1.8=23...(5) * HA PRO 12 + HG2 PRO 12 OK 83 100 - 83 - 3.8=74, 4.8/8019=13...(5) HA TYR 70 - HG2 PRO 12 OK 39 100 - 39 - 9937/2.3=17, 76/2.3=10...(6) HA TYR 70 - HG3 PRO 12 OK 37 99 - 38 - 9937/2.3=17, 76/2.3=10...(5) HA ILE 56 - HG2 PRO 12 lone 3 62 - 5 - HA ILE 56 - HG3 PRO 12 lone 2 61 - 4 - Peak 93 from cnoeabs.peaks (1.76, 1.92, 27.30 ppm; 2.52 A): 2 out of 10 assignments used, quality = 1.00: * HB2 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HB2 PRO 12 + HG3 PRO 12 OK 99 99 - 100 - 2.3=100 HG LEU 95 - HG2 PRO 12 OK 37 100 - 37 - 93=7, 85/2.3=5, ~8732=4...(19) HB ILE 83 - HG2 PRO 12 OK 37 96 - 39 - 85/2.3=5, 53/2.3=3...(13) HG LEU 95 - HG3 PRO 12 OK 35 99 - 36 - 93/1.8=6, 85/2.3=5...(18) HB ILE 83 - HG3 PRO 12 OK 34 95 - 36 - 85/2.3=5, 53/2.3=3...(14) HB3 ARG 35 - HG2 PRO 12 lone 8 88 - 9 - 93=2, 85/2.3=1 HB3 ARG 35 - HG3 PRO 12 lone 8 87 - 9 - 93/1.8=1, 85/2.3=1 HG LEU 39 - HG3 PRO 12 lone 2 66 - 3 - HG LEU 39 - HG2 PRO 12 lone 2 67 - 3 - Peak 94 from cnoeabs.peaks (2.22, 1.92, 27.30 ppm; 2.88 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HB3 PRO 12 + HG3 PRO 12 OK 99 99 - 100 - 2.3=100 HB2 GLU 28 - HG2 PRO 12 OK 32 100 - 32 - 78/2.3=6, 94=4...(12) HB2 GLU 28 - HG3 PRO 12 OK 31 99 - 31 - 78/2.3=6, 102=4...(12) HG2 GLU 28 - HG2 PRO 12 OK 31 99 - 31 - 78/2.3=6, 3.0/94=4...(16) HG2 GLU 28 - HG3 PRO 12 OK 30 98 - 31 - 78/2.3=6, 3.0/102=4...(16) Peak 95 from cnoeabs.peaks (1.92, 1.92, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 12 + HG2 PRO 12 OK 100 100 - 100 HG3 PRO 12 + HG3 PRO 12 OK 99 99 - 100 Peak 96 from cnoeabs.peaks (1.92, 1.92, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 12 + HG3 PRO 12 OK 99 99 - 100 HG2 PRO 12 + HG2 PRO 12 OK 99 99 - 100 Reference assignment not found: HG3 PRO 12 - HG2 PRO 12 Peak 97 from cnoeabs.peaks (3.58, 1.92, 27.30 ppm; 2.79 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HD2 PRO 12 + HG3 PRO 12 OK 99 99 - 100 - 2.3=100 Peak 98 from cnoeabs.peaks (3.65, 1.92, 27.30 ppm; 2.82 A): 2 out of 6 assignments used, quality = 1.00: * HD3 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HD3 PRO 12 + HG3 PRO 12 OK 99 99 - 100 - 2.3=100 HA THR 92 - HG2 PRO 12 OK 18 96 - 19 - 82/2.3=4, 58/2.3=4...(4) HA THR 92 - HG3 PRO 12 OK 17 95 - 18 - 82/2.3=4, 58/2.3=4...(4) HA2 GLY 94 - HG2 PRO 12 OK 15 88 - 17 - 58/2.3=3, 82/2.3=3...(7) HA2 GLY 94 - HG3 PRO 12 OK 14 87 - 16 - 58/2.3=3, 82/2.3=3...(7) Peak 99 from cnoeabs.peaks (8.35, 1.92, 27.30 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.98: * H ASP 13 + HG2 PRO 12 OK 88 100 - 88 - 75/3.8=34, 6005/2.3=32...(9) H ASP 13 + HG3 PRO 12 OK 87 99 - 88 - 75/3.8=34, 6005/2.3=32...(9) H GLY 78 - HG2 PRO 12 OK 20 96 - 20 - 83/2.3=7, 91/2.3=6...(4) H GLY 78 - HG3 PRO 12 OK 19 95 - 20 - 83/2.3=7, 91/2.3=6...(4) Peak 100 from cnoeabs.peaks (4.33, 1.92, 27.30 ppm; 3.49 A): 2 out of 9 assignments used, quality = 0.97: * HA PRO 12 + HG3 PRO 12 OK 84 100 - 84 - 3.8=74, 92/1.8=23...(5) HA PRO 12 + HG2 PRO 12 OK 81 98 - 83 - 3.8=74, 4.8/8019=13...(5) HA TYR 70 - HG2 PRO 12 OK 39 98 - 39 - 9937/2.3=17, 76/2.3=10...(6) HA TYR 70 - HG3 PRO 12 OK 37 100 - 38 - 9937/2.3=17, 76/2.3=10...(5) HA PRO 12 - HG13 ILE 83 OK 13 35 - 38 - 69/3.0=6, 72=5, 2.3/88=4...(16) HA TYR 70 - HG13 ILE 83 poor 4 35 - 10 - ~10778=5 HA ILE 56 - HG2 PRO 12 lone 3 59 - 5 - HA ILE 56 - HG3 PRO 12 lone 3 62 - 4 - HA ILE 56 - HG13 ILE 83 lone 1 17 - 5 - ~10133=1 Peak 101 from cnoeabs.peaks (1.76, 1.92, 27.30 ppm; 2.52 A): 2 out of 15 assignments used, quality = 1.00: * HB2 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HB2 PRO 12 + HG2 PRO 12 OK 98 98 - 100 - 2.3=100 HG LEU 95 - HG2 PRO 12 OK 36 98 - 37 - 93=7, 85/2.3=5, ~8732=4...(19) HB ILE 83 - HG2 PRO 12 OK 36 93 - 39 - 85/2.3=5, 53/2.3=3...(14) HG LEU 95 - HG3 PRO 12 OK 35 100 - 36 - 93/1.8=6, 85/2.3=5...(18) HB ILE 83 - HG3 PRO 12 OK 35 96 - 36 - 85/2.3=5, 53/2.3=3...(14) HB ILE 83 - HG13 ILE 83 OK 26 32 - 81 - 3.0=61, ~2518=6, ~2520=5...(20) HB2 PRO 12 - HG13 ILE 83 OK 12 35 - 33 - 80=4, 2540/2.1=4...(14) HG LEU 95 - HG13 ILE 83 poor 10 35 - 28 - 2540/2.1=3, 2516/3.2=3...(13) HB3 ARG 35 - HG3 PRO 12 lone 8 89 - 9 - 93/1.8=1, 85/2.3=1 HB3 ARG 35 - HG2 PRO 12 lone 8 85 - 9 - 93=2, 85/2.3=1 HG LEU 39 - HG13 ILE 83 poor 4 19 - 20 - 2540/2.1=2, ~2528=2...(9) HG LEU 39 - HG3 PRO 12 lone 2 68 - 3 - HG LEU 39 - HG2 PRO 12 lone 2 63 - 3 - HB3 ARG 35 - HG13 ILE 83 lone 2 27 - 6 - ~10005=1 Peak 102 from cnoeabs.peaks (2.22, 1.92, 27.30 ppm; 2.88 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HB3 PRO 12 + HG2 PRO 12 OK 98 98 - 100 - 2.3=100 HB2 GLU 28 - HG3 PRO 12 OK 31 100 - 31 - 78/2.3=6, 102=4...(12) HB2 GLU 28 - HG2 PRO 12 OK 31 98 - 32 - 78/2.3=6, 94=4...(12) HG2 GLU 28 - HG3 PRO 12 OK 31 99 - 31 - 78/2.3=6, 3.0/102=4...(16) HG2 GLU 28 - HG2 PRO 12 OK 30 96 - 31 - 78/2.3=6, 3.0/94=4...(16) HB3 PRO 12 - HG13 ILE 83 OK 15 35 - 44 - 85/3.0=5, 88=5, 1.8/80=3...(27) HB2 GLU 28 - HG13 ILE 83 lone 1 35 - 2 - HG2 GLU 28 - HG13 ILE 83 lone 1 34 - 2 - Peak 103 from cnoeabs.peaks (1.92, 1.92, 27.30 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 HG2 PRO 12 + HG2 PRO 12 OK 98 98 - 100 HG13 ILE 83 - HG13 ILE 83 OK 24 24 - 100 Reference assignment not found: HG2 PRO 12 - HG3 PRO 12 Peak 104 from cnoeabs.peaks (1.92, 1.92, 27.30 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 HG2 PRO 12 + HG2 PRO 12 OK 97 97 - 100 HG13 ILE 83 - HG13 ILE 83 OK 27 27 - 100 Peak 105 from cnoeabs.peaks (3.58, 1.92, 27.30 ppm; 2.79 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HD2 PRO 12 + HG2 PRO 12 OK 98 98 - 100 - 2.3=100 HD2 PRO 12 - HG13 ILE 83 OK 13 35 - 36 - 56=4, 53/3.0=4, 1.8/64=3...(18) Peak 106 from cnoeabs.peaks (3.65, 1.92, 27.30 ppm; 2.82 A): 2 out of 9 assignments used, quality = 1.00: * HD3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HD3 PRO 12 + HG2 PRO 12 OK 98 98 - 100 - 2.3=100 HA THR 92 - HG3 PRO 12 OK 18 96 - 19 - 82/2.3=4, 58/2.3=4...(4) HA THR 92 - HG2 PRO 12 OK 18 93 - 19 - 82/2.3=4, 58/2.3=4...(4) HA2 GLY 94 - HG3 PRO 12 OK 14 89 - 16 - 58/2.3=3, 82/2.3=3...(7) HA2 GLY 94 - HG2 PRO 12 OK 14 85 - 17 - 58/2.3=3, 82/2.3=3...(7) HD3 PRO 12 - HG13 ILE 83 OK 13 35 - 37 - 64=4, 61/3.0=3, 1.8/56=3...(21) HA THR 92 - HG13 ILE 83 poor 6 32 - 18 - 9017/3.2=4, 2539/2.1=4...(7) HA2 GLY 94 - HG13 ILE 83 lone 0 27 - 1 - Peak 107 from cnoeabs.peaks (8.35, 1.92, 27.30 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.98: * H ASP 13 + HG3 PRO 12 OK 87 100 - 87 - 75/3.8=34, 6005/2.3=32...(9) H ASP 13 + HG2 PRO 12 OK 87 98 - 88 - 75/3.8=34, 6005/2.3=32...(9) H GLY 78 - HG3 PRO 12 OK 20 96 - 20 - 83/2.3=7, 91/2.3=6...(4) H GLY 78 - HG2 PRO 12 OK 19 93 - 20 - 83/2.3=7, 91/2.3=6...(4) H ASP 13 - HG13 ILE 83 poor 7 35 - 19 - 6004/3.0=4, 3.5/72=4...(5) H GLY 78 - HG13 ILE 83 lone 2 32 - 6 - 8697/3.0=2 Peak 108 from cnoeabs.peaks (8.35, 4.49, 53.68 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 13 + HA ASP 13 OK 100 100 - 100 - 2.9=100 H GLY 78 - HA ASP 13 lone 5 96 - 5 - 113/3.0=2 Peak 109 from cnoeabs.peaks (4.49, 4.49, 53.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 13 + HA ASP 13 OK 100 100 - 100 Peak 110 from cnoeabs.peaks (2.52, 4.49, 53.68 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 13 + HA ASP 13 OK 100 100 - 100 - 3.0=100 HG3 MET 68 - HA ASP 13 lone 3 72 - 5 - Peak 111 from cnoeabs.peaks (2.68, 4.49, 53.68 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASP 13 + HA ASP 13 OK 100 100 - 100 - 3.0=100 HB3 TYR 115 + HA ASP 13 OK 56 98 - 57 - 2.5/4658=21, 119=14...(15) HB2 ASP 32 - HA ASP 13 OK 13 92 - 14 - ~11053=4, 4.0/10812=4 HB2 ASP 137 - HA ASP 13 lone 7 85 - 8 - 4.5/112=2, 4656/3.6=2 HB2 PHE 43 - HA ASP 13 lone 5 100 - 5 - HB3 ASP 16 - HA ASP 13 lone 2 77 - 2 - Peak 112 from cnoeabs.peaks (8.14, 4.49, 53.68 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 14 + HA ASP 13 OK 100 100 - 100 - 3.6=100 H SER 138 - HA ASP 13 OK 19 98 - 19 - 122/3.0=5, 117/3.0=5...(5) H THR 107 - HA ASP 13 lone 5 77 - 6 - 3.5/9216=2, 117/3.0=1...(4) Peak 113 from cnoeabs.peaks (8.35, 2.52, 40.83 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.91: * H ASP 13 + HB2 ASP 13 OK 91 100 - 91 - 3.8=85, 118/1.8=25...(5) H GLY 78 - HB2 ASP 13 lone 5 96 - 5 - 8700/10115=1, 108/3.0=1 Peak 114 from cnoeabs.peaks (4.49, 2.52, 40.83 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 13 + HB2 ASP 13 OK 100 100 - 100 - 3.0=100 Peak 115 from cnoeabs.peaks (2.52, 2.52, 40.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 13 + HB2 ASP 13 OK 100 100 - 100 Peak 116 from cnoeabs.peaks (2.68, 2.52, 40.83 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 13 + HB2 ASP 13 OK 100 100 - 100 - 1.8=100 HB3 TYR 115 - HB2 ASP 13 OK 33 98 - 34 - 120=10, ~4658=4...(14) HB2 ASP 32 - HB2 ASP 13 lone 3 92 - 4 - HB2 ASP 137 - HB2 ASP 13 lone 3 85 - 4 - 4.5/117=1 HB2 PHE 43 - HB2 ASP 13 lone 2 100 - 2 - HB3 ASP 16 - HB2 ASP 13 lone 1 77 - 1 - Peak 117 from cnoeabs.peaks (8.14, 2.52, 40.83 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.93: * H HIS 14 + HB2 ASP 13 OK 93 100 - 94 - 4.5=86, 4.6/6011=27...(7) H SER 138 - HB2 ASP 13 OK 25 98 - 25 - 122/1.8=8, ~9716=7...(6) H THR 107 - HB2 ASP 13 lone 7 77 - 9 - 9406/9385=2, 122/1.8=2...(5) Peak 118 from cnoeabs.peaks (8.35, 2.68, 40.83 ppm; 3.62 A): 2 out of 4 assignments used, quality = 0.96: * H ASP 13 + HB3 ASP 13 OK 94 100 - 94 - 3.8=88, 6011/1.8=41...(4) H ASP 13 + HB3 TYR 115 OK 37 79 - 47 - 6012=14, ~4658=12...(8) H GLY 78 - HB3 ASP 13 lone 4 96 - 4 - 113/1.8=2, 108/3.0=1 H GLY 78 - HB3 TYR 115 lone 1 72 - 1 - Peak 119 from cnoeabs.peaks (4.49, 2.68, 40.83 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 13 + HB3 ASP 13 OK 100 100 - 100 - 3.0=100 HA ASP 13 - HB3 TYR 115 OK 37 79 - 47 - 4658/2.5=16, 111=11...(13) Peak 120 from cnoeabs.peaks (2.52, 2.68, 40.83 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 13 + HB3 ASP 13 OK 100 100 - 100 - 1.8=100 HB2 ASP 13 - HB3 TYR 115 OK 27 79 - 34 - 116=12, ~4658=4...(14) HG3 MET 68 - HB3 ASP 13 lone 2 72 - 3 - HG3 MET 68 - HB3 TYR 115 lone 2 50 - 4 - Peak 121 from cnoeabs.peaks (2.68, 2.68, 40.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 13 + HB3 ASP 13 OK 100 100 - 100 HB3 TYR 115 + HB3 TYR 115 OK 74 74 - 100 Peak 122 from cnoeabs.peaks (8.14, 2.68, 40.83 ppm; 3.57 A): 4 out of 6 assignments used, quality = 0.84: * H HIS 14 + HB3 ASP 13 OK 67 100 - 67 - 4.5=48, 117/1.8=19...(6) H HIS 14 + HB3 TYR 115 OK 28 79 - 36 - 3.6/111=7, 6019/2.9=7...(11) H SER 138 + HB3 ASP 13 OK 23 98 - 23 - 2.9/9716=6, 117/1.8=5...(6) H SER 138 + HB3 TYR 115 OK 15 74 - 20 - 9714/2.5=6, 7778=4...(5) H THR 107 - HB3 ASP 13 lone 5 77 - 6 - 117/1.8=2, 112/3.0=1 H THR 107 - HB3 TYR 115 lone 2 54 - 4 - Peak 124 from cnoeabs.peaks (4.52, 4.52, 55.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 14 + HA HIS 14 OK 100 100 - 100 Peak 125 from cnoeabs.peaks (2.93, 4.52, 55.94 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.85: * HB2 HIS 14 + HA HIS 14 OK 78 100 - 78 - 3.0=57, 1.8/126=29...(9) HE2 LYS 61 + HA HIS 14 OK 18 92 - 19 - 4.8/9856=3, 137/3.0=2...(9) HE3 LYS 61 + HA HIS 14 OK 17 92 - 19 - 4.8/9856=3, 137/3.0=2...(8) HB3 ASN 130 - HA HIS 14 lone 1 89 - 2 - HE3 LYS 93 - HA HIS 14 lone 0 72 - 0 - HD2 ARG 35 - HA HIS 14 lone 0 62 - 0 - Peak 126 from cnoeabs.peaks (2.99, 4.52, 55.94 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.77: * HB3 HIS 14 + HA HIS 14 OK 77 100 - 77 - 3.0=57, 1.8/130=28...(9) HB2 ASP 30 - HA HIS 14 lone 1 72 - 2 - HB3 ASN 128 - HA HIS 14 lone 1 96 - 1 - HA VAL 82 - HA HIS 14 lone 1 89 - 1 - Peak 127 from cnoeabs.peaks (6.90, 4.52, 55.94 ppm; 3.33 A): 2 out of 5 assignments used, quality = 0.76: * HD2 HIS 14 + HA HIS 14 OK 72 100 - 72 - 127=47, 133/3.0=28, 139/3.0=25 HE21 GLN 22 + HA HIS 14 OK 17 100 - 17 - 1.7/11295=9, 133/3.0=4 H LEU 29 - HA HIS 14 lone 2 77 - 2 - HE21 GLN 25 - HA HIS 14 lone 1 98 - 1 - HE21 GLN 111 - HA HIS 14 lone 1 72 - 1 - Peak 130 from cnoeabs.peaks (4.52, 2.93, 30.32 ppm; 2.65 A): 2 out of 2 assignments used, quality = 0.87: * HA HIS 14 + HB2 HIS 14 OK 85 99 - 85 - 3.0=69, 126/1.8=33...(9) HA TYR 115 + HB2 HIS 14 OK 14 95 - 15 - 136/1.8=5, 6019/3.9=3...(5) Peak 131 from cnoeabs.peaks (2.93, 2.93, 30.32 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HB2 HIS 14 + HB2 HIS 14 OK 99 99 - 100 Peak 132 from cnoeabs.peaks (2.99, 2.93, 30.32 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.99: * HB3 HIS 14 + HB2 HIS 14 OK 99 99 - 100 - 1.8=100 HB3 ASN 128 - HB2 HIS 14 lone 2 95 - 2 - HB2 ASP 30 - HB2 HIS 14 lone 1 71 - 2 - HA VAL 82 - HB2 HIS 14 lone 1 87 - 1 - Peak 133 from cnoeabs.peaks (6.90, 2.93, 30.32 ppm; 3.21 A): 2 out of 5 assignments used, quality = 0.80: * HD2 HIS 14 + HB2 HIS 14 OK 77 99 - 78 - 4.0=53, 139/1.8=33...(5) HE21 GLN 22 + HB2 HIS 14 OK 14 99 - 14 - 139/1.8=5, ~11295=5, 127/3.0=4 H LEU 29 - HB2 HIS 14 lone 1 75 - 2 - HE21 GLN 25 - HB2 HIS 14 lone 1 96 - 1 - HE21 GLN 111 - HB2 HIS 14 lone 1 71 - 1 - Peak 136 from cnoeabs.peaks (4.52, 2.99, 30.32 ppm; 2.50 A): 2 out of 2 assignments used, quality = 0.81: * HA HIS 14 + HB3 HIS 14 OK 78 100 - 78 - 3.0=57, 130/1.8=28...(10) HA TYR 115 + HB3 HIS 14 OK 13 96 - 14 - 130/1.8=4, 6019/3.9=2...(6) Peak 137 from cnoeabs.peaks (2.93, 2.99, 30.32 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 14 + HB3 HIS 14 OK 100 100 - 100 - 1.8=100 HE2 LYS 61 - HB3 HIS 14 OK 16 91 - 17 - 125/3.0=3, 132/1.8=2...(5) HE3 LYS 61 - HB3 HIS 14 OK 15 91 - 17 - 125/3.0=3, ~132=2...(6) HB3 ASN 130 - HB3 HIS 14 lone 3 88 - 3 - HE3 LYS 93 - HB3 HIS 14 lone 0 72 - 1 - HD2 ARG 35 - HB3 HIS 14 lone 0 62 - 0 - Peak 138 from cnoeabs.peaks (2.99, 2.99, 30.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 14 + HB3 HIS 14 OK 100 100 - 100 Peak 139 from cnoeabs.peaks (6.90, 2.99, 30.32 ppm; 3.06 A): 2 out of 5 assignments used, quality = 0.77: * HD2 HIS 14 + HB3 HIS 14 OK 73 100 - 73 - 4.0=46, 133/1.8=34...(4) HE21 GLN 22 + HB3 HIS 14 OK 13 100 - 13 - 133/1.8=5, ~11295=4, 127/3.0=4 H LEU 29 - HB3 HIS 14 lone 2 77 - 2 - HE21 GLN 25 - HB3 HIS 14 lone 1 98 - 1 - HE21 GLN 111 - HB3 HIS 14 lone 1 72 - 1 - Peak 141 from cnoeabs.peaks (8.46, 3.75, 45.33 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: H GLY 15 + HA3 GLY 15 OK 100 100 - 100 - 3.0=100 * H GLY 15 + HA2 GLY 15 OK 99 99 - 100 - 3.0=100 H ASP 137 - HA3 GLY 15 lone 7 88 - 8 - ~7752=3, ~4643=2...(4) H LYS 123 - HA3 GLY 15 lone 7 94 - 8 - ~4094=4, ~7517=2 H ASP 137 - HA2 GLY 15 lone 7 87 - 8 - ~7752=3, ~4643=2...(4) H LYS 123 - HA2 GLY 15 lone 7 93 - 8 - ~4094=4, ~7517=2 Peak 142 from cnoeabs.peaks (3.75, 3.75, 45.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 15 + HA3 GLY 15 OK 100 100 - 100 * HA2 GLY 15 + HA2 GLY 15 OK 99 99 - 100 Peak 143 from cnoeabs.peaks (3.75, 3.75, 45.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 15 + HA3 GLY 15 OK 100 100 - 100 HA2 GLY 15 + HA2 GLY 15 OK 99 99 - 100 Reference assignment not found: HA3 GLY 15 - HA2 GLY 15 Peak 144 from cnoeabs.peaks (8.10, 3.75, 45.33 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: H ASP 16 + HA3 GLY 15 OK 100 100 - 100 - 3.5=100 * H ASP 16 + HA2 GLY 15 OK 99 99 - 100 - 3.5=100 Peak 145 from cnoeabs.peaks (8.46, 3.75, 45.33 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 15 + HA3 GLY 15 OK 100 100 - 100 - 3.0=100 H GLY 15 + HA2 GLY 15 OK 100 100 - 100 - 3.0=100 H ASP 137 - HA3 GLY 15 lone 7 89 - 8 - ~7752=3, ~4643=2...(4) H ASP 137 - HA2 GLY 15 lone 7 88 - 8 - ~7752=3, ~4643=2...(4) H LYS 123 - HA2 GLY 15 lone 7 94 - 8 - ~4094=4, ~7517=2 H LYS 123 - HA3 GLY 15 lone 7 94 - 8 - ~4094=4, ~7517=2 Peak 146 from cnoeabs.peaks (3.75, 3.75, 45.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 15 + HA3 GLY 15 OK 100 100 - 100 HA2 GLY 15 + HA2 GLY 15 OK 100 100 - 100 Reference assignment not found: HA2 GLY 15 - HA3 GLY 15 Peak 147 from cnoeabs.peaks (3.75, 3.75, 45.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 15 + HA3 GLY 15 OK 100 100 - 100 HA2 GLY 15 + HA2 GLY 15 OK 100 100 - 100 Peak 148 from cnoeabs.peaks (8.10, 3.75, 45.33 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 16 + HA3 GLY 15 OK 100 100 - 100 - 3.5=100 H ASP 16 + HA2 GLY 15 OK 100 100 - 100 - 3.5=100 Peak 149 from cnoeabs.peaks (8.10, 4.62, 53.91 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 16 + HA ASP 16 OK 100 100 - 100 - 3.0=100 H ASP 16 - HA ARG 124 poor 7 50 - 15 - 6037=4, 4.0/155=3...(7) Peak 150 from cnoeabs.peaks (4.62, 4.62, 53.91 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ASP 16 + HA ASP 16 OK 100 100 - 100 HA ARG 124 - HA ARG 124 OK 45 45 - 100 Peak 151 from cnoeabs.peaks (2.55, 4.62, 53.91 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 16 + HA ASP 16 OK 100 100 - 100 - 3.0=100 HB2 ASP 16 - HA ARG 124 poor 9 50 - 19 - 155=6, 1.8/160=4...(7) HG3 MET 68 - HA ARG 124 lone 1 25 - 5 - HG3 MET 68 - HA ASP 16 lone 1 62 - 1 - Peak 152 from cnoeabs.peaks (2.70, 4.62, 53.91 ppm; 3.14 A): 1 out of 14 assignments used, quality = 1.00: * HB3 ASP 16 + HA ASP 16 OK 100 100 - 100 - 3.0=100 HB3 TYR 115 - HA ASP 16 lone 9 94 - 9 - 160=2, 157/3.0=2, 159/3.0=1 HB3 ASP 16 - HA ARG 124 poor 8 50 - 16 - 160=4, 1.8/155=4...(6) HB2 ASP 32 - HA ASP 16 lone 8 99 - 8 - 415=1, 157/3.0=1 HB2 PHE 43 - HA ASP 16 lone 7 81 - 8 - 1.8/152=2, 157/3.0=1 HB2 ASP 137 - HA ASP 16 lone 6 100 - 6 - 6039/3.0=1 HB3 CYS 121 - HA ARG 124 lone 2 32 - 5 - ~9488=4, ~10314=2 HB3 ASP 13 - HA ASP 16 lone 1 77 - 2 - HB3 TYR 115 - HA ARG 124 lone 1 43 - 2 - HB3 ASP 13 - HA ARG 124 lone 1 32 - 2 - ~8007=1 HB3 CYS 121 - HA ASP 16 lone 0 77 - 1 - HB2 ASP 32 - HA ARG 124 lone 0 47 - 1 - HB2 ASP 137 - HA ARG 124 lone 0 49 - 1 - HB2 PHE 43 - HA ARG 124 lone 0 34 - 0 - Peak 153 from cnoeabs.peaks (7.84, 4.62, 53.91 ppm; 3.31 A): 1 out of 10 assignments used, quality = 0.80: * H TRP 17 + HA ASP 16 OK 80 100 - 80 - 3.6=80 H TRP 17 - HA ARG 124 poor 5 50 - 10 - 6043=3, 4.6/155=2...(4) H ALA 135 - HA ARG 124 poor 5 27 - 17 - 7736/3.0=2, ~4590=2...(9) H LEU 26 - HA ASP 16 lone 2 81 - 3 - 6040/3.0=1 H ARG 55 - HA ASP 16 lone 2 100 - 2 - H THR 110 - HA ASP 16 lone 1 62 - 2 - H THR 110 - HA ARG 124 lone 1 25 - 3 - 4.0/9293=2 H ALA 135 - HA ASP 16 lone 1 68 - 1 - H LEU 26 - HA ARG 124 lone 0 34 - 1 - H ARG 55 - HA ARG 124 lone 0 49 - 0 - Peak 154 from cnoeabs.peaks (8.10, 2.55, 40.90 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 16 + HB2 ASP 16 OK 100 100 - 100 - 4.0=100 Peak 155 from cnoeabs.peaks (4.62, 2.55, 40.90 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 16 + HB2 ASP 16 OK 100 100 - 100 - 3.0=100 HA ARG 124 - HB2 ASP 16 OK 19 96 - 19 - 160/1.8=5, 151=4...(7) HA LEU 87 - HB2 ASP 16 lone 1 68 - 2 - HA HIS 10 - HB2 ASP 16 lone 1 77 - 2 - Peak 156 from cnoeabs.peaks (2.55, 2.55, 40.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 16 + HB2 ASP 16 OK 100 100 - 100 Peak 157 from cnoeabs.peaks (2.70, 2.55, 40.90 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASP 16 + HB2 ASP 16 OK 100 100 - 100 - 1.8=100 HB3 TYR 115 - HB2 ASP 16 lone 6 94 - 6 - 161=2 HB2 ASP 32 - HB2 ASP 16 lone 5 99 - 5 - HB2 PHE 43 - HB2 ASP 16 lone 4 81 - 5 - 1.8/157=2 HB2 ASP 137 - HB2 ASP 16 lone 3 100 - 3 - HB3 ASP 13 - HB2 ASP 16 lone 1 77 - 1 - HB3 CYS 121 - HB2 ASP 16 lone 0 77 - 0 - Peak 159 from cnoeabs.peaks (8.10, 2.70, 40.90 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.89: * H ASP 16 + HB3 ASP 16 OK 89 100 - 89 - 4.0=83, 6038/1.8=36 H ASP 16 - HB3 TYR 115 lone 6 75 - 7 - 6039=2, 3.0/152=2, 4.0/157=2 Peak 160 from cnoeabs.peaks (4.62, 2.70, 40.90 ppm; 3.48 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 16 + HB3 ASP 16 OK 100 100 - 100 - 3.0=100 HA ARG 124 - HB3 ASP 16 OK 17 96 - 18 - 155/1.8=5, 6037/4.0=3...(7) HA LEU 87 - HB3 TYR 115 OK 11 43 - 24 - ~3839=4, 2769/4.0=3...(9) HA ASP 16 - HB3 TYR 115 poor 9 75 - 12 - 152=3, 3.0/157=2, 3.0/159=2 HA ARG 124 - HB3 TYR 115 lone 2 68 - 3 - HA LEU 87 - HB3 ASP 16 lone 1 68 - 2 - HA HIS 10 - HB3 ASP 16 lone 1 77 - 1 - HA HIS 10 - HB3 TYR 115 lone 0 50 - 0 - Peak 161 from cnoeabs.peaks (2.55, 2.70, 40.90 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 16 + HB3 ASP 16 OK 100 100 - 100 - 1.8=100 HB2 ASP 16 - HB3 TYR 115 lone 5 75 - 7 - 157=3 HG3 MET 68 - HB3 TYR 115 lone 1 39 - 4 - HG3 MET 68 - HB3 ASP 16 lone 0 62 - 1 - Peak 162 from cnoeabs.peaks (2.70, 2.70, 40.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 16 + HB3 ASP 16 OK 100 100 - 100 HB3 TYR 115 + HB3 TYR 115 OK 66 66 - 100 Peak 165 from cnoeabs.peaks (4.81, 4.81, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 17 + HA TRP 17 OK 100 100 - 100 Peak 175 from cnoeabs.peaks (4.81, 3.15, 30.04 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 17 + HB2 TRP 17 OK 100 100 - 100 - 3.0=100 HA ASN 54 - HB2 TRP 17 lone 6 68 - 8 - 6046/4.0=2, 5508/3.9=2 Peak 176 from cnoeabs.peaks (3.15, 3.15, 30.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 17 + HB2 TRP 17 OK 100 100 - 100 Peak 177 from cnoeabs.peaks (3.29, 3.15, 30.04 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TRP 17 + HB2 TRP 17 OK 100 100 - 100 - 1.8=100 HD2 ARG 124 - HB2 TRP 17 lone 2 89 - 2 - 6048/4.0=1 HB2 TRP 88 - HB2 TRP 17 lone 2 85 - 2 - HD3 ARG 109 - HB2 TRP 17 lone 1 77 - 1 - Peak 186 from cnoeabs.peaks (3.15, 3.29, 30.04 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 17 + HB3 TRP 17 OK 100 100 - 100 - 1.8=100 HB2 TYR 70 - HB3 TRP 17 OK 30 96 - 30 - 166/3.0=5, 2068/4.6=4...(11) HA LEU 39 - HB3 TRP 17 lone 3 77 - 4 - Peak 187 from cnoeabs.peaks (3.29, 3.29, 30.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 17 + HB3 TRP 17 OK 100 100 - 100 Peak 194 from cnoeabs.peaks (1.14, 1.14, 21.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 18 + QG2 THR 18 OK 100 100 - 100 Peak 195 from cnoeabs.peaks (4.04, 4.04, 58.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 25 + HA GLN 25 OK 100 100 - 100 Peak 196 from cnoeabs.peaks (2.17, 4.04, 58.58 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 25 + HA GLN 25 OK 100 100 - 100 - 2.9=100 HG LEU 29 + HA GLN 25 OK 46 89 - 52 - 212/2.9=7, 2.1/10589=6...(22) HG2 PRO 129 - HA GLN 25 OK 37 85 - 43 - 212/2.9=6, 228/3.9=4...(23) HB3 LYS 86 - HA GLN 25 OK 17 68 - 25 - 212/2.9=4, 220/3.9=3...(6) Peak 197 from cnoeabs.peaks (2.10, 4.04, 58.58 ppm; 3.17 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + HA GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 33 + HA GLN 25 OK 68 99 - 69 - 471=14, 1.8/479=9...(34) HG3 PRO 33 + HA GLN 25 OK 65 94 - 68 - 479=12, 1.8/471=10...(34) HB VAL 53 - HA GLN 25 OK 25 100 - 25 - 2.1/10589=4, 205/2.9=3...(12) HB3 LYS 36 - HA GLN 25 OK 23 98 - 23 - 3.0/10789=6, 3.9/10786=4...(6) HG2 PRO 118 - HA GLN 25 OK 17 89 - 19 - 2.3/199=2, 205/2.9=1...(6) HB3 GLU 142 - HA GLN 25 OK 11 100 - 11 - 4851/2.9=2, ~4844=1 HB2 GLU 131 - HA GLN 25 lone 6 89 - 7 - Peak 198 from cnoeabs.peaks (2.38, 4.04, 58.58 ppm; 3.24 A): 3 out of 8 assignments used, quality = 0.93: * HG2 GLN 25 + HA GLN 25 OK 80 100 - 80 - 3.9=58, 1.8/227=16...(10) HG3 GLN 25 + HA GLN 25 OK 48 62 - 77 - 3.9=58, 1.8/219=17...(9) HB ILE 91 + HA GLN 25 OK 33 100 - 33 - 2.1/10940=7, 223/3.9=4...(12) HG2 MET 59 - HA GLN 25 OK 19 100 - 19 - 215/2.9=3, 206/2.9=2...(7) HG3 MET 59 - HA GLN 25 OK 17 100 - 17 - 215/2.9=2, 223/3.9=2...(7) HG3 MET 11 - HA GLN 25 OK 14 81 - 17 - 214/2.9=4, 206/2.9=3...(5) HG2 MET 46 - HA GLN 25 OK 13 100 - 13 - 223/3.9=2, 215/2.9=2...(5) HG3 GLU 37 - HA GLN 25 lone 5 100 - 5 - Peak 199 from cnoeabs.peaks (2.40, 4.04, 58.58 ppm; 3.24 A): 3 out of 5 assignments used, quality = 0.92: * HG3 GLN 25 + HA GLN 25 OK 80 100 - 80 - 3.9=58, 1.8/219=17...(8) HG2 GLN 25 + HA GLN 25 OK 52 68 - 78 - 3.9=58, 1.8/227=16...(10) HB ILE 91 + HA GLN 25 OK 20 68 - 30 - 2.1/10940=7, 3.2/11619=4...(12) HG3 MET 59 - HA GLN 25 poor 10 68 - 15 - 215/2.9=2, 207/2.9=2...(7) HG2 MET 46 - HA GLN 25 poor 8 72 - 11 - 223/3.9=2, 215/2.9=2...(5) Peak 200 from cnoeabs.peaks (6.89, 4.04, 58.58 ppm; 4.83 A): 1 out of 6 assignments used, quality = 0.93: * HE21 GLN 25 + HA GLN 25 OK 93 100 - 93 - 5.5=67, 1.7/201=38...(13) HE21 GLN 22 - HA GLN 25 OK 19 94 - 20 - ~11284=6, 6078/3.6=4...(4) HD2 HIS 14 - HA GLN 25 OK 12 99 - 12 - 4503/11368=4, 6078/3.6=2...(4) HE21 GLN 111 - HA GLN 25 lone 9 92 - 10 - 6078/3.6=2...(4) HE22 GLN 47 - HA GLN 25 lone 5 68 - 7 - 1.7/201=1 HZ PHE 23 - HA GLN 25 lone 4 72 - 6 - 11199/11202=1, 11200/10608=1 Peak 201 from cnoeabs.peaks (7.50, 4.04, 58.58 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.81: * HE22 GLN 25 + HA GLN 25 OK 78 100 - 78 - 5.5=44, 3.5/198=24...(9) HE ARG 49 + HA GLN 25 OK 13 96 - 14 - 11461/2.9=4, 11687/2.9=3...(4) HE21 GLN 47 - HA GLN 25 lone 2 68 - 3 - 1.7/200=1 H TYR 70 - HA GLN 25 lone 2 85 - 2 - Peak 202 from cnoeabs.peaks (7.83, 4.04, 58.58 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 26 + HA GLN 25 OK 100 100 - 100 - 3.6=100 H TYR 27 + HA GLN 25 OK 50 94 - 54 - 3.1/11460=20...(11) H SER 44 - HA GLN 25 poor 9 81 - 11 - 234/3.9=2, 210/2.9=2...(4) H ARG 55 - HA GLN 25 poor 9 72 - 13 - 10614/2.9=6, 218/2.9=1...(5) H THR 110 - HA GLN 25 lone 9 99 - 9 - 210/2.9=1, 218/2.9=1...(4) H TRP 17 - HA GLN 25 lone 7 81 - 9 - 11274/2.9=4, 218/2.9=1...(5) H GLY 94 - HA GLN 25 lone 4 62 - 6 - 242/4.8=1 Peak 203 from cnoeabs.peaks (4.04, 2.17, 28.45 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 2.9=100 HD2 PRO 33 + HB2 GLN 25 OK 74 89 - 84 - 211/1.8=16, 219/2.9=12...(40) Peak 204 from cnoeabs.peaks (2.17, 2.17, 28.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 25 + HB2 GLN 25 OK 100 100 - 100 Peak 205 from cnoeabs.peaks (2.10, 2.17, 28.45 ppm; 2.71 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 1.8=100 HG2 PRO 33 + HB2 GLN 25 OK 59 99 - 60 - 2.3/203=7, 471/2.9=5...(42) HG3 PRO 33 + HB2 GLN 25 OK 56 94 - 60 - 2.3/203=7, 479/2.9=5...(42) HB VAL 53 - HB2 GLN 25 OK 24 100 - 24 - ~8245=2, 229/2.9=2...(13) HB3 LYS 36 - HB2 GLN 25 OK 17 98 - 17 - 3.9/11462=5, ~10789=2...(5) HG2 PRO 118 - HB2 GLN 25 OK 13 89 - 15 - ~3975=1, 229/2.9=1, 221/2.9=1 HB3 GLU 142 - HB2 GLN 25 lone 7 100 - 7 - 4851/4.0=1 HB2 GLU 131 - HB2 GLN 25 lone 4 89 - 5 - Peak 206 from cnoeabs.peaks (2.38, 2.17, 28.45 ppm; 3.06 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 2.9=100 HG3 GLN 25 + HB2 GLN 25 OK 62 62 - 100 - 2.9=100 HB ILE 91 + HB2 GLN 25 OK 45 100 - 45 - 2.1/10939=6, 223/2.9=5...(21) HG2 MET 59 - HB2 GLN 25 OK 26 100 - 26 - 223/2.9=3, 214/1.8=3...(10) HG3 MET 59 - HB2 GLN 25 OK 24 100 - 24 - 223/2.9=3, 214/1.8=3...(9) HG3 MET 11 - HB2 GLN 25 OK 21 81 - 25 - 3.3/10664=6, 214/1.8=4...(6) HG2 MET 46 - HB2 GLN 25 OK 17 100 - 17 - 223/2.9=3, ~10489=2...(6) HG3 GLU 37 - HB2 GLN 25 lone 5 100 - 5 - Peak 207 from cnoeabs.peaks (2.40, 2.17, 28.45 ppm; 3.06 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 GLN 25 + HB2 GLN 25 OK 68 68 - 100 - 2.9=100 HB ILE 91 - HB2 GLN 25 OK 28 68 - 42 - 2.1/10939=6, 215/1.8=4...(20) HG3 MET 59 - HB2 GLN 25 OK 15 68 - 22 - 215/1.8=2, ~215=2...(7) HG2 MET 46 - HB2 GLN 25 OK 12 72 - 16 - ~10489=2, 223/2.9=2...(6) Peak 210 from cnoeabs.peaks (7.83, 2.17, 28.45 ppm; 4.55 A): 2 out of 7 assignments used, quality = 0.99: * H LEU 26 + HB2 GLN 25 OK 99 100 - 99 - 4.6=95, 218/1.8=19...(15) H TYR 27 + HB2 GLN 25 OK 59 94 - 62 - 3.9/6074=18, ~11460=14...(11) H SER 44 - HB2 GLN 25 OK 21 81 - 26 - 5.0/4815=6, ~9817=4...(8) H THR 110 - HB2 GLN 25 OK 13 99 - 13 - 218/1.8=2, 234/2.9=2...(5) H ARG 55 - HB2 GLN 25 OK 13 72 - 18 - 10614/4.0=8, 218/1.8=2...(5) H TRP 17 - HB2 GLN 25 OK 12 81 - 15 - 11274/4.0=6, 218/1.8=2...(5) H GLY 94 - HB2 GLN 25 lone 4 62 - 7 - Peak 211 from cnoeabs.peaks (4.04, 2.10, 28.45 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 2.9=100 HD2 PRO 33 + HB3 GLN 25 OK 68 89 - 77 - 203/1.8=14, 219/2.9=10...(32) Peak 212 from cnoeabs.peaks (2.17, 2.10, 28.45 ppm; 2.65 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 1.8=100 HG LEU 29 - HB3 GLN 25 OK 42 89 - 47 - ~10532=5, 228/2.9=5...(24) HG2 PRO 129 - HB3 GLN 25 OK 34 85 - 39 - 228/2.9=4, 220/2.9=3...(21) HB3 LYS 86 - HB3 GLN 25 OK 14 68 - 20 - 220/2.9=2, 228/2.9=2...(5) Peak 213 from cnoeabs.peaks (2.10, 2.10, 28.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 25 + HB3 GLN 25 OK 100 100 - 100 Peak 214 from cnoeabs.peaks (2.38, 2.10, 28.45 ppm; 3.13 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 2.9=100 HG3 GLN 25 + HB3 GLN 25 OK 62 62 - 100 - 2.9=100 HB ILE 91 + HB3 GLN 25 OK 47 100 - 47 - 2.1/10938=7, 223/2.9=5...(24) HG2 MET 59 - HB3 GLN 25 OK 27 100 - 27 - 223/2.9=3, 206/1.8=3...(10) HG3 MET 59 - HB3 GLN 25 OK 25 100 - 25 - 223/2.9=3, 206/1.8=3...(10) HG2 MET 46 - HB3 GLN 25 OK 19 100 - 19 - 3.3/10489=3, 223/2.9=3...(6) HG3 MET 11 - HB3 GLN 25 OK 19 81 - 23 - ~10664=4, 206/1.8=4...(7) HG3 GLU 37 - HB3 GLN 25 lone 7 100 - 6 - 4.4/6219=1 Peak 215 from cnoeabs.peaks (2.40, 2.10, 28.45 ppm; 3.13 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 GLN 25 + HB3 GLN 25 OK 68 68 - 100 - 2.9=100 HB ILE 91 - HB3 GLN 25 OK 29 68 - 43 - 2.1/10938=7, 207/1.8=4...(24) HG3 MET 59 - HB3 GLN 25 OK 16 68 - 23 - 207/1.8=2, 223/2.9=2...(8) HG2 MET 46 - HB3 GLN 25 OK 13 72 - 18 - 3.3/10489=3, 223/2.9=2...(6) Peak 218 from cnoeabs.peaks (7.83, 2.10, 28.45 ppm; 4.38 A): 2 out of 7 assignments used, quality = 0.98: * H LEU 26 + HB3 GLN 25 OK 96 100 - 96 - 4.6=85, 10916/1.8=27...(18) H TYR 27 + HB3 GLN 25 OK 54 94 - 57 - ~11460=13, 3.9/6075=12...(10) H SER 44 - HB3 GLN 25 OK 16 81 - 19 - ~9817=4, 234/2.9=4...(6) H ARG 55 - HB3 GLN 25 OK 12 72 - 16 - 10614/4.0=7, 210/1.8=2...(5) H THR 110 - HB3 GLN 25 OK 11 99 - 11 - 210/1.8=2, 234/2.9=2...(4) H TRP 17 - HB3 GLN 25 OK 11 81 - 13 - 11274/4.0=6, 210/1.8=2...(5) H GLY 94 - HB3 GLN 25 lone 4 62 - 6 - Peak 219 from cnoeabs.peaks (4.04, 2.38, 33.89 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.99: * HA GLN 25 + HG2 GLN 25 OK 97 100 - 97 - 3.9=91, 227/1.8=22...(12) HD2 PRO 33 + HG2 GLN 25 OK 64 88 - 73 - 227/1.8=15, 211/2.9=13...(26) Peak 220 from cnoeabs.peaks (2.17, 2.38, 33.89 ppm; 3.16 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 2.9=100 HG LEU 29 + HG2 GLN 25 OK 57 88 - 64 - 2.1/10532=19...(19) HG2 PRO 129 - HG2 GLN 25 OK 39 85 - 46 - 228/1.8=7, 212/2.9=6...(24) HB3 LYS 86 - HG2 GLN 25 OK 18 67 - 26 - 228/1.8=4, 212/2.9=4...(7) Peak 221 from cnoeabs.peaks (2.10, 2.38, 33.89 ppm; 3.18 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 33 + HG2 GLN 25 OK 66 99 - 67 - 2.3/219=9, 229/1.8=8...(33) HG3 PRO 33 + HG2 GLN 25 OK 63 94 - 67 - 2.3/219=9, 229/1.8=7...(33) HB VAL 53 - HG2 GLN 25 OK 36 100 - 37 - ~8245=5, 2.1/10586=5...(16) HG2 PRO 118 - HG2 GLN 25 OK 18 88 - 21 - 229/1.8=2, ~11031=2...(5) HB3 LYS 36 - HG2 GLN 25 OK 16 98 - 16 - 205/2.9=2, 229/1.8=2...(5) HB3 GLU 142 - HG2 GLN 25 lone 7 100 - 7 - 4851/4.9=1 HB2 GLU 131 - HG2 GLN 25 lone 6 88 - 7 - 10291/10532=2 Peak 222 from cnoeabs.peaks (2.38, 2.38, 33.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 25 + HG2 GLN 25 OK 100 100 - 100 Peak 223 from cnoeabs.peaks (2.40, 2.38, 33.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.67: HG2 GLN 25 + HG2 GLN 25 OK 67 67 - 100 Reference assignment not found: HG3 GLN 25 - HG2 GLN 25 Peak 226 from cnoeabs.peaks (7.83, 2.38, 33.89 ppm; 4.84 A): 2 out of 7 assignments used, quality = 0.95: * H LEU 26 + HG2 GLN 25 OK 90 100 - 90 - 3.6/198=29, 10916/2.9=25...(21) H TYR 27 + HG2 GLN 25 OK 50 94 - 53 - 3.9/6076=11, 234/1.8=11...(10) H SER 44 - HG2 GLN 25 OK 22 81 - 27 - ~9817=6, 234/1.8=5...(8) H ARG 55 - HG2 GLN 25 OK 14 72 - 20 - 10614/4.9=7, 234/1.8=3...(7) H TRP 17 - HG2 GLN 25 OK 13 81 - 16 - 11274/4.9=7, 234/1.8=2...(5) H THR 110 - HG2 GLN 25 OK 12 99 - 12 - 234/1.8=3, 210/2.9=2...(5) H GLY 94 - HG2 GLN 25 lone 6 62 - 9 - 234/1.8=1 Peak 227 from cnoeabs.peaks (4.04, 2.40, 33.89 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.99: * HA GLN 25 + HG3 GLN 25 OK 98 100 - 98 - 3.9=93, 198/1.8=30...(12) HD2 PRO 33 + HG3 GLN 25 OK 65 89 - 73 - 219/1.8=15, 211/2.9=13...(28) Peak 228 from cnoeabs.peaks (2.17, 2.40, 33.89 ppm; 3.02 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 2.9=100 HG LEU 29 + HG3 GLN 25 OK 52 89 - 59 - ~10532=11, 220/1.8=8...(20) HG2 PRO 129 - HG3 GLN 25 OK 36 85 - 43 - 220/1.8=6, 212/2.9=5...(21) HB3 LYS 86 - HG3 GLN 25 OK 15 68 - 22 - 220/1.8=4, 212/2.9=3...(5) Peak 229 from cnoeabs.peaks (2.10, 2.40, 33.89 ppm; 3.09 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 33 + HG3 GLN 25 OK 63 99 - 64 - 2.3/227=9, 221/1.8=7...(33) HG3 PRO 33 + HG3 GLN 25 OK 60 94 - 64 - 2.3/227=9, 221/1.8=7...(33) HB VAL 53 - HG3 GLN 25 OK 35 100 - 35 - 2.1/8245=8, 2.1/10585=5...(14) HG2 PRO 118 - HG3 GLN 25 OK 17 89 - 19 - 221/1.8=2, ~11031=2...(4) HB3 LYS 36 - HG3 GLN 25 OK 13 98 - 14 - 205/2.9=2, 221/1.8=2, 197/3.9=1 HB3 GLU 142 - HG3 GLN 25 lone 7 100 - 7 - 4851/4.9=1 HB2 GLU 131 - HG3 GLN 25 lone 5 89 - 5 - Peak 230 from cnoeabs.peaks (2.38, 2.40, 33.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.62: HG3 GLN 25 + HG3 GLN 25 OK 62 62 - 100 Reference assignment not found: HG2 GLN 25 - HG3 GLN 25 Peak 231 from cnoeabs.peaks (2.40, 2.40, 33.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 25 + HG3 GLN 25 OK 100 100 - 100 Peak 234 from cnoeabs.peaks (7.83, 2.40, 33.89 ppm; 4.40 A): 2 out of 7 assignments used, quality = 0.92: * H LEU 26 + HG3 GLN 25 OK 84 100 - 84 - 6077=23, 10916/2.9=22...(18) H TYR 27 + HG3 GLN 25 OK 46 94 - 49 - 3.9/6077=12, 3.6/9775=12...(7) H SER 44 - HG3 GLN 25 OK 21 81 - 26 - 2.9/9817=8, 226/1.8=4...(8) H ARG 55 - HG3 GLN 25 OK 11 72 - 15 - 10614/4.9=6, 226/1.8=2...(5) H THR 110 - HG3 GLN 25 OK 10 99 - 10 - 226/1.8=2, 210/2.9=2...(4) H TRP 17 - HG3 GLN 25 OK 10 81 - 13 - 11274/4.9=5, 226/1.8=2...(5) H GLY 94 - HG3 GLN 25 lone 5 62 - 7 - Peak 235 from cnoeabs.peaks (7.83, 4.07, 57.28 ppm; 3.68 A): 2 out of 14 assignments used, quality = 1.00: * H LEU 26 + HA LEU 26 OK 100 100 - 100 - 2.9=100 H TYR 27 + HA LEU 26 OK 94 94 - 100 - 3.6=100 H LEU 26 - HA LYS 34 OK 43 96 - 45 - 6080=8, 3.9/252=4...(18) H TYR 27 - HA LYS 34 OK 25 88 - 28 - 6089=6, 3.9/6080=4...(8) H GLY 94 - HA LEU 26 OK 14 62 - 22 - 3.2/7080=5, 4.7/3033=4...(6) H THR 110 - HA LEU 26 OK 12 99 - 12 - 267/4.0=2, 251/3.0=2...(4) H SER 44 - HA LEU 26 lone 7 81 - 9 - H TRP 17 - HA LEU 26 lone 3 81 - 4 - H GLY 94 - HA LYS 34 lone 3 57 - 6 - 3.2/7080=1, 4.7/3033=1 H ARG 55 - HA LEU 26 lone 3 72 - 4 - H THR 110 - HA LYS 34 lone 1 94 - 2 - H TRP 17 - HA LYS 34 lone 1 75 - 2 - H ARG 55 - HA LYS 34 lone 1 66 - 2 - H SER 44 - HA LYS 34 lone 1 75 - 1 - Peak 236 from cnoeabs.peaks (4.07, 4.07, 57.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 26 + HA LEU 26 OK 100 100 - 100 HA LYS 34 + HA LYS 34 OK 95 95 - 100 Peak 237 from cnoeabs.peaks (2.07, 4.07, 57.28 ppm; 3.30 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LEU 26 + HA LEU 26 OK 100 100 - 100 - 3.0=100 HB2 LEU 26 - HA LYS 34 OK 44 96 - 45 - 1.8/252=5, 3.2/268=5...(21) HG3 PRO 98 - HA LYS 34 OK 26 57 - 46 - 2.3/484=5, 10968/4.0=4...(29) HA ARG 35 - HA LEU 26 OK 25 62 - 41 - 3.9/10864=12, 2.8/6175=6...(15) HA ARG 35 - HA LYS 34 OK 19 57 - 34 - ~6174=8, ~6172=7...(8) HB2 PRO 129 - HA LEU 26 OK 19 99 - 19 - 6081/2.9=3, ~10916=2...(7) HB3 LYS 61 - HA LEU 26 OK 18 100 - 18 - 253/3.0=2, 269/4.0=2...(7) HB3 LYS 61 - HA LYS 34 OK 16 96 - 16 - 1.8/484=3, 1673/3.0=3 HG2 PRO 118 - HA LYS 34 OK 14 61 - 23 - 1.8/10581=9, 2.3/3930=2...(6) HD2 ARG 49 - HA LEU 26 OK 12 100 - 12 - 253/3.0=1, 6090/3.6=1...(5) HG2 PRO 118 - HA LEU 26 OK 12 68 - 17 - 1.8/10917=2, 2.3/3930=1...(6) HG2 GLU 122 - HA LYS 34 OK 11 93 - 12 - 4082/4.0=2, 3.0/484=1...(4) HG2 GLU 122 - HA LEU 26 OK 11 98 - 11 - 253/3.0=2, 269/4.0=1 HG3 PRO 98 - HA LEU 26 poor 7 62 - 12 - 10113/3.0=3, ~9131=2 HB3 GLN 62 - HA LEU 26 lone 7 99 - 7 - HB2 GLU 131 - HA LEU 26 poor 7 68 - 10 - 4.6/7665=1, 8752/10545=1 HD2 ARG 49 - HA LYS 34 lone 6 96 - 6 - HB3 GLN 62 - HA LYS 34 lone 4 94 - 4 - HB2 PRO 129 - HA LYS 34 lone 4 94 - 4 - HB2 GLU 131 - HA LYS 34 lone 3 61 - 5 - Peak 238 from cnoeabs.peaks (1.64, 4.07, 57.28 ppm; 3.23 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LEU 26 + HA LEU 26 OK 100 100 - 100 - 3.0=100 HG3 LYS 34 + HA LYS 34 OK 81 88 - 92 - 4.0=54, 1.8/486=21...(34) HB3 LEU 26 + HA LYS 34 OK 47 96 - 49 - 252=5, 3.2/268=5...(22) HG3 LYS 34 + HA LEU 26 OK 47 94 - 50 - 527=6, 1.8/516=6...(19) HD2 LYS 24 - HA LEU 26 OK 34 94 - 36 - 10908=8, 11359/2.9=5...(12) HD2 LYS 24 - HA LYS 34 OK 26 88 - 30 - 10908=5, 498/3.0=4...(12) HD3 LYS 93 - HA LEU 26 OK 18 62 - 29 - 3.4/3033=5, 3.4/3021=5...(10) HB2 PRO 57 - HA LYS 34 OK 16 61 - 26 - 2.3/486=4, 2.3/488=3...(10) HB2 PRO 57 - HA LEU 26 OK 16 68 - 24 - 246/3.0=3, 278/3.8=3...(8) HB2 LYS 114 - HA LEU 26 OK 10 62 - 16 - 246/3.0=2, 270/4.0=2...(5) HD3 LYS 93 - HA LYS 34 lone 4 57 - 7 - 3.4/3033=1, 3.4/3021=1 HB2 LYS 114 - HA LYS 34 lone 3 57 - 5 - 10258/3.6=1 Peak 239 from cnoeabs.peaks (1.69, 4.07, 57.28 ppm; 3.72 A): 2 out of 16 assignments used, quality = 0.96: * HG LEU 26 + HA LEU 26 OK 93 100 - 93 - 4.3=66, 262/3.0=22...(21) HG LEU 26 + HA LYS 34 OK 40 96 - 42 - 2.1/268=8, ~10584=7...(12) HG LEU 97 - HA LEU 26 OK 39 98 - 40 - 2.1/10545=10, 255/3.0=7...(8) HG3 ARG 141 - HA LEU 26 OK 36 96 - 37 - 10505/3.8=20, 255/3.0=5...(6) HD2 LYS 86 - HA LYS 34 OK 35 71 - 50 - 1.8/488=5, 3.0/491=4...(29) HD2 LYS 93 - HA LEU 26 OK 33 81 - 41 - 3.4/3033=7, 3.4/3021=6...(15) HB ILE 58 - HA LEU 26 OK 21 77 - 28 - ~8275=5, 2.1/10871=4...(11) HD2 LYS 86 - HA LEU 26 OK 18 77 - 24 - 255/3.0=3, 3.0/10567=3...(11) HD2 LYS 93 - HA LYS 34 poor 8 75 - 10 - 3.4/3033=2, 10911/487=2...(4) HB2 LYS 85 - HA LEU 26 lone 6 81 - 7 - HG LEU 97 - HA LYS 34 lone 5 93 - 6 - HB3 LEU 95 - HA LEU 26 lone 5 68 - 7 - HG3 ARG 141 - HA LYS 34 lone 4 91 - 5 - 10505/241=2 HB ILE 58 - HA LYS 34 lone 2 71 - 3 - HB2 LYS 85 - HA LYS 34 lone 2 75 - 2 - HB3 LEU 95 - HA LYS 34 lone 1 61 - 2 - Peak 240 from cnoeabs.peaks (1.18, 4.07, 57.28 ppm; 3.60 A): 2 out of 10 assignments used, quality = 0.97: * QD1 LEU 26 + HA LEU 26 OK 95 100 - 95 - 4.0=74, 6084/2.9=17...(27) QD1 LEU 26 + HA LYS 34 OK 51 96 - 53 - 268=12, 10584/3.0=11...(14) HB3 LEU 108 - HA LEU 26 OK 30 94 - 31 - 256/3.0=8, 248/3.0=5...(7) HB2 LEU 72 - HA LYS 34 OK 11 66 - 16 - 1.8/489=2, ~11609=1...(7) HB2 LEU 72 - HA LEU 26 poor 10 72 - 13 - 6084/2.9=2, 256/3.0=2...(4) QD1 LEU 69 - HA LEU 26 poor 8 72 - 12 - 6084/2.9=1, 6093/3.6=1 HG2 LYS 76 - HA LEU 26 lone 5 62 - 8 - 8075/8060=2 HB3 LEU 108 - HA LYS 34 lone 3 88 - 4 - QD1 LEU 69 - HA LYS 34 lone 3 66 - 5 - HG2 LYS 76 - HA LYS 34 lone 2 57 - 3 - 8075/8060=1 Peak 241 from cnoeabs.peaks (1.08, 4.07, 57.28 ppm; 3.92 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 26 + HA LEU 26 OK 100 100 - 100 - 3.8=100 HG2 ARG 35 + HA LEU 26 OK 79 98 - 80 - 1.8/10864=26, ~10866=15...(20) QD2 LEU 26 + HA LYS 34 OK 54 96 - 56 - 2.1/268=9, 6187/3.6=9...(17) HG2 ARG 35 - HA LYS 34 OK 29 93 - 31 - ~8093=10, 1.8/10864=7...(8) Peak 242 from cnoeabs.peaks (7.82, 4.07, 57.28 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: * H TYR 27 + HA LEU 26 OK 100 100 - 100 - 3.6=100 H LEU 26 + HA LEU 26 OK 94 94 - 100 - 2.9=100 H LEU 26 - HA LYS 34 OK 38 88 - 43 - 6080=7, 3.9/252=4...(18) H TYR 27 - HA LYS 34 OK 29 96 - 30 - 6089=7, 3.9/6080=4...(10) H GLY 94 - HA LEU 26 OK 22 92 - 24 - 3.2/7080=5, 4.7/3033=4...(8) H THR 110 - HA LEU 26 OK 13 100 - 13 - 274/4.0=2, 258/3.0=2...(5) H SER 44 - HA LEU 26 OK 10 99 - 10 - 282/3.8=1 H GLY 94 - HA LYS 34 lone 5 86 - 6 - 3.2/7080=1, 4.7/3033=1 H SER 44 - HA LYS 34 lone 2 94 - 2 - H THR 110 - HA LYS 34 lone 2 95 - 2 - Peak 243 from cnoeabs.peaks (7.83, 2.07, 41.95 ppm; 4.47 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.9=100 H TYR 27 + HB2 LEU 26 OK 91 94 - 96 - 4.6=90, 6091/1.8=20...(9) H THR 110 - HB2 LEU 26 OK 15 99 - 15 - 267/3.2=4, 251/1.8=3...(7) H GLY 94 - HB2 LEU 26 poor 10 62 - 16 - ~7080=3, 258/1.8=3...(7) H SER 44 - HB2 LEU 26 lone 6 81 - 8 - 266/3.0=2, 282/3.1=2...(5) H TRP 17 - HB2 LEU 26 lone 3 81 - 4 - H ARG 55 - HB2 LEU 26 lone 3 72 - 3 - Peak 244 from cnoeabs.peaks (4.07, 2.07, 41.95 ppm; 5.11 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB2 LEU 26 OK 77 100 - 77 - ~10584=12, 252/1.8=11...(25) HA LYS 24 - HB2 LEU 26 OK 41 81 - 50 - 11347/3.9=10...(14) HD3 PRO 118 - HB2 LEU 26 OK 38 96 - 39 - 252/1.8=5, 268/3.2=3...(17) HA LEU 132 - HB2 LEU 26 OK 30 96 - 31 - 268/3.2=4, 252/1.8=4...(13) HA VAL 53 - HB2 LEU 26 OK 28 89 - 31 - 6089/4.6=4, 6080/3.9=4...(13) HA GLU 90 - HB2 LEU 26 OK 22 96 - 22 - 252/1.8=3, 268/3.2=2...(10) Peak 245 from cnoeabs.peaks (2.07, 2.07, 41.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 26 + HB2 LEU 26 OK 100 100 - 100 Peak 246 from cnoeabs.peaks (1.64, 2.07, 41.95 ppm; 4.51 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 1.8=100 HG3 LYS 34 + HB2 LEU 26 OK 70 94 - 75 - 10968=10, ~10584=9...(32) HD2 LYS 24 - HB2 LEU 26 OK 44 94 - 47 - 11359/3.9=10...(13) HB2 PRO 57 - HB2 LEU 26 OK 33 68 - 49 - ~10566=8, 270/3.2=7...(20) HD3 LYS 93 - HB2 LEU 26 OK 24 62 - 39 - ~3033=4, 1.8/247=4...(18) HB2 LYS 114 - HB2 LEU 26 OK 21 62 - 33 - 270/3.2=5, 238/3.0=5...(15) Peak 247 from cnoeabs.peaks (1.69, 2.07, 41.95 ppm; 4.16 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.0=100 HG LEU 97 + HB2 LEU 26 OK 71 98 - 73 - 255/1.8=11, 279/3.1=10...(27) HG3 ARG 141 + HB2 LEU 26 OK 54 96 - 56 - 10505/3.1=29, 255/1.8=8...(14) HB ILE 58 - HB2 LEU 26 OK 40 77 - 52 - ~10572=19, 2.1/8275=7...(16) HD2 LYS 93 - HB2 LEU 26 OK 30 81 - 37 - 6092/4.6=4, 255/1.8=3...(16) HD2 LYS 86 - HB2 LEU 26 OK 27 77 - 35 - 255/1.8=4, 239/3.0=3...(15) HB3 LEU 95 - HB2 LEU 26 poor 10 68 - 14 - ~9063=2, 255/1.8=2...(4) HB2 LYS 85 - HB2 LEU 26 lone 6 81 - 8 - Peak 248 from cnoeabs.peaks (1.18, 2.07, 41.95 ppm; 5.31 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.2=100 HB3 LEU 108 + HB2 LEU 26 OK 73 94 - 77 - 256/1.8=14, ~10906=11...(23) HB2 LEU 72 - HB2 LEU 26 OK 20 72 - 28 - 256/1.8=3, 6084/3.9=3...(13) QD1 LEU 69 - HB2 LEU 26 OK 12 72 - 17 - 6093/4.6=2, 256/1.8=2...(7) HG2 LYS 76 - HB2 LEU 26 poor 8 62 - 13 - 6093/4.6=2, 256/1.8=1...(5) Peak 249 from cnoeabs.peaks (1.08, 2.07, 41.95 ppm; 5.05 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.1=100 HG2 ARG 35 + HB2 LEU 26 OK 91 98 - 93 - 257/1.8=22, ~10864=20...(24) Peak 250 from cnoeabs.peaks (7.82, 2.07, 41.95 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 27 + HB2 LEU 26 OK 97 100 - 97 - 4.6=90, 6091/1.8=22...(9) H LEU 26 + HB2 LEU 26 OK 94 94 - 100 - 3.9=100 H GLY 94 - HB2 LEU 26 OK 16 92 - 18 - 258/1.8=3, ~7080=3...(7) H THR 110 - HB2 LEU 26 OK 16 100 - 16 - 274/3.2=4, 258/1.8=3...(7) H SER 44 - HB2 LEU 26 lone 9 99 - 9 - 266/3.0=2, 282/3.1=2...(5) Peak 251 from cnoeabs.peaks (7.83, 1.64, 41.95 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.99: * H LEU 26 + HB3 LEU 26 OK 97 100 - 97 - 3.9=88, 6081/1.8=22...(15) H TYR 27 + HB3 LEU 26 OK 72 94 - 77 - 4.6=52, 6090/1.8=17...(9) H THR 110 - HB3 LEU 26 OK 11 99 - 11 - 267/3.2=3, 243/1.8=2...(5) H GLY 94 - HB3 LEU 26 poor 8 62 - 12 - ~7080=2, 242/3.0=2...(5) H SER 44 - HB3 LEU 26 lone 5 81 - 6 - 282/3.1=1, 266/3.0=1 H TRP 17 - HB3 LEU 26 lone 3 81 - 3 - H ARG 55 - HB3 LEU 26 lone 2 72 - 2 - Peak 252 from cnoeabs.peaks (4.07, 1.64, 41.95 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB3 LEU 26 OK 69 100 - 69 - 268/3.2=8, ~10584=7...(28) HA LYS 24 - HB3 LEU 26 OK 33 81 - 41 - 11347/3.9=8, 3.0/11324=6...(14) HD3 PRO 118 - HB3 LEU 26 OK 30 96 - 31 - 244/1.8=3, 268/3.2=3...(13) HA LEU 132 - HB3 LEU 26 OK 24 96 - 24 - 268/3.2=3, 244/1.8=2...(10) HA VAL 53 - HB3 LEU 26 OK 21 89 - 23 - 6089/4.6=3, 6080/3.9=3...(11) HA GLU 90 - HB3 LEU 26 OK 19 96 - 20 - 268/3.2=2, 244/1.8=2...(6) Peak 253 from cnoeabs.peaks (2.07, 1.64, 41.95 ppm; 3.84 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 1.8=100 HA ARG 35 - HB3 LEU 26 OK 37 62 - 59 - 3.9/257=11, 2.8/6179=7...(22) HB3 LYS 61 - HB3 LEU 26 OK 26 100 - 26 - ~10584=3, 269/3.2=3...(10) HB2 PRO 129 - HB3 LEU 26 OK 23 99 - 23 - 6081/3.9=3, 237/3.0=2...(13) HG2 GLU 122 - HB3 LEU 26 OK 21 98 - 21 - ~9456=4, 269/3.2=2...(12) HD2 ARG 49 - HB3 LEU 26 OK 19 100 - 18 - ~1298=2, 277/3.1=2...(10) HG2 PRO 118 - HB3 LEU 26 OK 16 68 - 24 - 2.3/252=3, ~244=2...(11) HG3 PRO 98 - HB3 LEU 26 OK 12 62 - 19 - 10113=5, 2.3/9131=5 HB2 GLU 131 - HB3 LEU 26 OK 11 68 - 16 - ~10568=4, 269/3.2=1...(5) HB3 GLN 62 - HB3 LEU 26 lone 8 99 - 8 - Peak 254 from cnoeabs.peaks (1.64, 1.64, 41.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 26 + HB3 LEU 26 OK 100 100 - 100 Peak 255 from cnoeabs.peaks (1.69, 1.64, 41.95 ppm; 3.22 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.0=100 HG LEU 97 + HB3 LEU 26 OK 52 98 - 53 - 262=8, 279/3.1=7...(23) HG3 ARG 141 - HB3 LEU 26 OK 36 96 - 37 - 10505/3.1=18, 271/3.2=4...(8) HB ILE 58 - HB3 LEU 26 OK 27 77 - 35 - ~10572=10, ~8275=5...(13) HD2 LYS 93 - HB3 LEU 26 OK 18 81 - 22 - 6092/4.6=2, 239/3.0=2...(8) HD2 LYS 86 - HB3 LEU 26 OK 16 77 - 21 - 279/3.1=2, 239/3.0=2...(8) HB3 LEU 95 - HB3 LEU 26 lone 5 68 - 8 - HB2 LYS 85 - HB3 LEU 26 lone 4 81 - 4 - Peak 256 from cnoeabs.peaks (1.18, 1.64, 41.95 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.2=100 HB3 LEU 108 + HB3 LEU 26 OK 46 94 - 49 - 264/3.0=6, 280/3.1=6...(21) HB2 LEU 72 - HB3 LEU 26 OK 11 72 - 14 - 248/1.8=2, 6084/3.9=1...(7) QD1 LEU 69 - HB3 LEU 26 lone 7 72 - 9 - 240/3.0=1, 280/3.1=1, 6084/3.9=1 HG2 LYS 76 - HB3 LEU 26 lone 4 62 - 7 - Peak 257 from cnoeabs.peaks (1.08, 1.64, 41.95 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.1=100 HG2 ARG 35 + HB3 LEU 26 OK 79 98 - 81 - 273/3.2=13, ~10864=11...(28) Peak 258 from cnoeabs.peaks (7.82, 1.64, 41.95 ppm; 3.73 A): 2 out of 5 assignments used, quality = 0.98: H LEU 26 + HB3 LEU 26 OK 91 94 - 96 - 3.9=88, 6081/1.8=20...(16) * H TYR 27 + HB3 LEU 26 OK 78 100 - 78 - 4.6=52, 6090/1.8=19...(10) H GLY 94 - HB3 LEU 26 OK 13 92 - 14 - 242/3.0=2, 250/1.8=2...(6) H THR 110 - HB3 LEU 26 OK 12 100 - 12 - 274/3.2=3, 250/1.8=2...(5) H SER 44 - HB3 LEU 26 lone 7 99 - 7 - 282/3.1=1, 266/3.0=1...(4) Peak 259 from cnoeabs.peaks (7.83, 1.69, 26.81 ppm; 4.24 A): 2 out of 14 assignments used, quality = 0.98: * H LEU 26 + HG LEU 26 OK 93 100 - 93 - 5.3=51, 6084/2.1=26...(16) H TYR 27 + HG LEU 26 OK 67 94 - 71 - 4.6/262=17, 6090/3.0=17...(9) H LEU 26 - HG LEU 97 OK 30 67 - 44 - 6083=8, 3.9/255=8...(9) H TYR 27 - HG LEU 97 OK 18 59 - 30 - 4.6/255=6, 6092=6...(7) H THR 110 - HG LEU 26 OK 15 99 - 15 - 267/2.1=4, 275/2.1=2...(7) H GLY 94 - HG LEU 97 OK 12 35 - 33 - ~9124=6, ~11426=5...(12) H SER 44 - HG LEU 26 OK 11 81 - 13 - 3.9/8167=3, 3.9/8167=3...(6) H GLY 94 - HG LEU 26 poor 9 62 - 15 - 274/2.1=2, 258/3.0=2...(6) H TRP 17 - HG LEU 26 lone 5 81 - 6 - 4.6/11468=3 H ARG 55 - HG LEU 26 lone 3 72 - 3 - H SER 44 - HG LEU 97 lone 2 48 - 4 - H THR 110 - HG LEU 97 lone 2 64 - 2 - H TRP 17 - HG LEU 97 lone 1 48 - 3 - 4.6/11468=2 H ARG 55 - HG LEU 97 lone 0 41 - 1 - Peak 260 from cnoeabs.peaks (4.07, 1.69, 26.81 ppm; 5.34 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 26 + HG LEU 26 OK 100 100 - 100 - 4.3=100 HA LYS 34 + HG LEU 26 OK 64 100 - 65 - ~10584=16, 240/2.1=12...(14) HA LEU 26 - HG LEU 97 OK 42 67 - 63 - 10545/2.1=15, 3.8/265=13...(9) HA LEU 132 - HG LEU 97 OK 30 61 - 49 - ~9593=6, 4470/3.0=6...(16) HD3 PRO 118 - HG LEU 26 OK 30 96 - 31 - 252/3.0=4, 244/3.0=4...(12) HA LYS 24 - HG LEU 26 OK 29 81 - 35 - 11347/5.3=8, 11319/3.0=5...(8) HA LEU 132 - HG LEU 26 OK 25 96 - 26 - 268/2.1=5, 4.0/11464=4...(7) HA VAL 53 - HG LEU 26 OK 20 89 - 23 - 3.2/10580=4, 252/3.0=3...(8) HA GLU 90 - HG LEU 26 OK 18 96 - 18 - 252/3.0=3, 268/2.1=3...(7) HA GLU 90 - HG LEU 97 OK 11 61 - 18 - 8958/2.1=6, ~10107=2...(6) HA LYS 34 - HG LEU 97 poor 7 66 - 11 - ~9129=1, 240/271=1...(4) HA VAL 53 - HG LEU 97 lone 5 54 - 8 - ~10136=2 HD3 PRO 118 - HG LEU 97 lone 4 61 - 7 - 11705/2.1=2 HA LYS 24 - HG LEU 97 lone 3 48 - 7 - Peak 261 from cnoeabs.peaks (2.07, 1.69, 26.81 ppm; 4.05 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 26 + HG LEU 26 OK 100 100 - 100 - 3.0=100 HB2 LEU 26 + HG LEU 97 OK 49 67 - 72 - 1.8/255=11, 247=10...(27) HB3 LYS 61 + HG LEU 97 OK 47 67 - 70 - ~9129=8, 1676/3.0=7...(38) HA ARG 35 - HG LEU 26 OK 36 62 - 58 - 3.9/265=9, ~10876=8...(19) HG3 PRO 98 - HG LEU 97 OK 33 35 - 96 - ~9125=21, ~9117=20...(28) HB3 LYS 61 - HG LEU 26 OK 28 100 - 28 - ~10584=4, 269/2.1=4...(10) HG2 GLU 122 - HG LEU 26 OK 22 98 - 22 - ~9456=4, 269/2.1=3...(9) HB2 PRO 129 - HG LEU 26 OK 21 99 - 21 - 253/3.0=3, 269/2.1=3...(6) HD2 ARG 49 - HG LEU 26 OK 18 100 - 18 - 277/2.1=2, 269/2.1=2...(7) HG2 PRO 118 - HG LEU 26 OK 13 68 - 20 - 253/3.0=2, ~268=2...(10) HD2 ARG 49 - HG LEU 97 OK 13 67 - 20 - 1288/3.0=3, ~3218=2...(12) HB2 GLU 131 - HG LEU 26 OK 11 68 - 17 - ~10568=5, 269/2.1=2...(5) HG3 PRO 98 - HG LEU 26 OK 10 62 - 16 - 10113/3.0=5, ~9131=3...(4) HB3 GLN 62 - HG LEU 26 lone 9 99 - 9 - 8343/11455=2, 269/2.1=1 HB3 GLN 62 - HG LEU 97 lone 4 64 - 7 - ~8344=1, ~10108=1, ~10109=1 HB2 GLU 131 - HG LEU 97 lone 3 38 - 7 - HB2 PRO 129 - HG LEU 97 lone 2 64 - 4 - HG2 GLU 122 - HG LEU 97 lone 2 63 - 3 - HA ARG 35 - HG LEU 97 lone 2 35 - 4 - HG2 PRO 118 - HG LEU 97 lone 1 38 - 3 - Peak 262 from cnoeabs.peaks (1.64, 1.69, 26.81 ppm; 2.50 A): 4 out of 12 assignments used, quality = 0.84: * HB3 LEU 26 + HG LEU 26 OK 72 100 - 72 - 3.0=60, 278/2.1=7...(11) HB3 LEU 26 + HG LEU 97 OK 21 67 - 31 - 255=5, 3.1/279=4...(14) HG3 LYS 34 + HG LEU 26 OK 17 94 - 18 - 270/2.1=3, 10968/3.0=3...(7) HD2 LYS 24 + HG LEU 26 OK 11 94 - 12 - 10911=2, 270/2.1=2...(6) HB2 PRO 57 - HG LEU 26 poor 10 68 - 15 - 278/2.1=3, 270/2.1=3...(5) HB2 LYS 114 - HG LEU 26 lone 5 62 - 8 - 278/2.1=2, 270/2.1=2, 246/3.0=1 HD3 LYS 93 - HG LEU 26 lone 5 62 - 7 - HD3 LYS 93 - HG LEU 97 lone 3 35 - 8 - HB2 PRO 57 - HG LEU 97 lone 1 38 - 3 - HG3 LYS 34 - HG LEU 97 lone 1 59 - 2 - HD2 LYS 24 - HG LEU 97 lone 1 59 - 2 - HB2 LYS 114 - HG LEU 97 lone 0 35 - 1 - Peak 263 from cnoeabs.peaks (1.69, 1.69, 26.81 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 26 + HG LEU 26 OK 100 100 - 100 HG LEU 97 + HG LEU 97 OK 63 63 - 100 Peak 264 from cnoeabs.peaks (1.18, 1.69, 26.81 ppm; 3.39 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 26 + HG LEU 26 OK 100 100 - 100 - 2.1=100 HB3 LEU 108 + HG LEU 26 OK 47 94 - 50 - 256/3.0=7, ~10906=7...(18) QD1 LEU 26 + HG LEU 97 OK 46 67 - 68 - 271=13, 10548/5.3=11...(26) HB2 LEU 72 - HG LEU 26 OK 10 72 - 14 - 256/3.0=2, 8112/10915=1...(4) HB3 LEU 108 - HG LEU 97 OK 10 59 - 17 - ~11018=4, 3489/3.0=2, ~3480=1 QD1 LEU 69 - HG LEU 26 lone 7 72 - 10 - 280/2.1=1 HG2 LYS 76 - HG LEU 26 lone 5 62 - 8 - 280/2.1=1 HG2 LYS 76 - HG LEU 97 poor 5 35 - 13 - 10104/3.0=3, ~11585=2...(6) QD1 LEU 69 - HG LEU 97 lone 2 41 - 5 - 11420/5.3=1 HB2 LEU 72 - HG LEU 97 lone 1 41 - 3 - Peak 265 from cnoeabs.peaks (1.08, 1.69, 26.81 ppm; 2.94 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 26 + HG LEU 26 OK 100 100 - 100 - 2.1=100 HG2 ARG 35 + HG LEU 26 OK 56 98 - 57 - 273/2.1=12, 279=8...(21) QD2 LEU 26 - HG LEU 97 OK 39 67 - 58 - 10908/2.1=11, 279=11...(22) HG2 ARG 35 - HG LEU 97 lone 4 63 - 6 - 273/271=1 Peak 266 from cnoeabs.peaks (7.82, 1.69, 26.81 ppm; 4.24 A): 2 out of 10 assignments used, quality = 0.96: H LEU 26 + HG LEU 26 OK 87 94 - 92 - 5.3=51, 6084/2.1=24...(16) * H TYR 27 + HG LEU 26 OK 74 100 - 74 - 6090/3.0=19, 6092=18...(10) H LEU 26 - HG LEU 97 OK 26 59 - 44 - 3.9/255=8, 6083=7...(9) H TYR 27 - HG LEU 97 OK 21 67 - 31 - 6092=7, 4.6/255=6...(8) H GLY 94 - HG LEU 97 OK 20 56 - 35 - ~9124=6, ~11426=5...(12) H GLY 94 - HG LEU 26 OK 16 92 - 18 - 274/2.1=2, 258/3.0=2...(7) H THR 110 - HG LEU 26 OK 16 100 - 16 - 274/2.1=4, 282/2.1=2...(7) H SER 44 - HG LEU 26 OK 15 99 - 15 - 3.9/8167=3, 3.9/8167=3...(7) H SER 44 - HG LEU 97 lone 3 64 - 4 - H THR 110 - HG LEU 97 lone 2 66 - 3 - Peak 267 from cnoeabs.peaks (7.83, 1.18, 24.43 ppm; 4.19 A): 2 out of 7 assignments used, quality = 0.98: * H LEU 26 + QD1 LEU 26 OK 94 100 - 94 - 4.8=67, 6085/2.1=22...(16) H TYR 27 + QD1 LEU 26 OK 69 94 - 73 - 3.9/6084=18, 6090/3.2=16...(12) H THR 110 - QD1 LEU 26 OK 22 99 - 22 - 4.6/7287=4, 275/2.1=2...(12) H GLY 94 - QD1 LEU 26 poor 8 62 - 13 - 258/3.2=2, 266/2.1=2...(5) H SER 44 - QD1 LEU 26 lone 7 81 - 8 - 282/2.1=2, 266/2.1=2, 258/3.2=1 H TRP 17 - QD1 LEU 26 lone 3 81 - 4 - H ARG 55 - QD1 LEU 26 lone 2 72 - 3 - Peak 268 from cnoeabs.peaks (4.07, 1.18, 24.43 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.97: * HA LEU 26 + QD1 LEU 26 OK 93 100 - 93 - 4.0=70, 2.9/6084=16...(27) HA LYS 34 + QD1 LEU 26 OK 51 100 - 52 - 240=11, 3.0/10584=11...(14) HA LEU 132 - QD1 LEU 26 OK 20 96 - 21 - 4.0/10577=5, 4.9/9615=2...(8) HA LYS 24 - QD1 LEU 26 OK 18 81 - 22 - 268=4, 11347/4.8=4...(9) HD3 PRO 118 - QD1 LEU 26 OK 16 96 - 17 - 252/3.2=2, 244/3.2=2...(8) HA GLU 90 - QD1 LEU 26 OK 12 96 - 12 - 3.8/10972=2, 268=1...(6) HA VAL 53 - QD1 LEU 26 OK 11 89 - 12 - 3.2/10575=2, 6080/4.8=1...(6) Peak 269 from cnoeabs.peaks (2.07, 1.18, 24.43 ppm; 4.33 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 3.2=100 HA ARG 35 + QD1 LEU 26 OK 46 62 - 73 - 2.8/10876=15, 3.9/273=14...(21) HB3 LYS 61 - QD1 LEU 26 OK 36 100 - 36 - 1.8/10584=7, 269=5...(12) HG2 GLU 122 - QD1 LEU 26 OK 27 98 - 27 - 1.8/9456=5, 269=3...(13) HB2 PRO 129 - QD1 LEU 26 OK 26 99 - 26 - 269=4, 253/3.2=3...(10) HD2 ARG 49 - QD1 LEU 26 OK 23 100 - 23 - 269=3, 277/2.1=3...(10) HG2 PRO 118 - QD1 LEU 26 OK 16 68 - 23 - 2.3/268=3, 253/3.2=2...(12) HB2 GLU 131 - QD1 LEU 26 OK 15 68 - 23 - 2.9/10568=8, 269=3...(6) HG3 PRO 98 - QD1 LEU 26 OK 12 62 - 18 - 10113/3.2=5, ~9131=3, ~9131=2 HB3 GLN 62 - QD1 LEU 26 OK 11 99 - 11 - 8343/10575=2 Peak 270 from cnoeabs.peaks (1.64, 1.18, 24.43 ppm; 3.44 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 3.2=100 HG3 LYS 34 - QD1 LEU 26 OK 40 94 - 42 - 2.9/10584=10...(13) HB2 PRO 57 - QD1 LEU 26 OK 24 68 - 36 - 270=8, 278/2.1=5...(8) HD2 LYS 24 - QD1 LEU 26 OK 23 94 - 24 - 10911/2.1=5, 11359/4.8=4...(8) HB2 LYS 114 - QD1 LEU 26 OK 15 62 - 23 - 270=6, 278/2.1=4...(6) HD3 LYS 93 - QD1 LEU 26 poor 10 62 - 15 - 1.8/271=2, 246/3.2=1...(7) Peak 271 from cnoeabs.peaks (1.69, 1.18, 24.43 ppm; 3.18 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 2.1=100 HG LEU 97 + QD1 LEU 26 OK 61 98 - 63 - 271=12, 5.3/10548=9...(22) HG3 ARG 141 - QD1 LEU 26 OK 45 96 - 47 - 10505/2.1=23, 271=9...(11) HB ILE 58 - QD1 LEU 26 OK 30 77 - 39 - ~10572=14, 2.1/10914=5...(13) HD2 LYS 86 - QD1 LEU 26 OK 18 77 - 23 - 271=4, 279/2.1=3...(9) HD2 LYS 93 - QD1 LEU 26 OK 13 81 - 16 - 255/3.2=2, 247/3.2=1...(6) HB3 LEU 95 - QD1 LEU 26 poor 7 68 - 11 - 271=2, 3.0/9063=1, 279/2.1=1 HB2 LYS 85 - QD1 LEU 26 lone 4 81 - 5 - Peak 272 from cnoeabs.peaks (1.18, 1.18, 24.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 26 + QD1 LEU 26 OK 100 100 - 100 Peak 273 from cnoeabs.peaks (1.08, 1.18, 24.43 ppm; 2.75 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 2.1=100 HG2 ARG 35 + QD1 LEU 26 OK 60 98 - 61 - 280=13, 1.8/10575=11...(23) Peak 274 from cnoeabs.peaks (7.82, 1.18, 24.43 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.97: H LEU 26 + QD1 LEU 26 OK 88 94 - 93 - 4.8=67, 6085/2.1=20...(16) * H TYR 27 + QD1 LEU 26 OK 76 100 - 76 - 3.9/6084=18, 6090/3.2=17...(13) H THR 110 - QD1 LEU 26 OK 23 100 - 23 - 4.6/7287=4, 282/2.1=2...(12) H GLY 94 - QD1 LEU 26 OK 14 92 - 15 - 258/3.2=2, 266/2.1=2...(5) H SER 44 - QD1 LEU 26 lone 9 99 - 9 - 282/2.1=2, 266/2.1=2...(4) Peak 275 from cnoeabs.peaks (7.83, 1.08, 26.57 ppm; 3.60 A): 3 out of 14 assignments used, quality = 0.98: * H LEU 26 + QD2 LEU 26 OK 85 100 - 85 - 5.0=38, 6084/2.1=20...(18) H LEU 26 + HG2 ARG 35 OK 65 92 - 71 - 10866/1.8=28, 6085=17...(12) H TYR 27 + QD2 LEU 26 OK 56 94 - 59 - 6090/3.1=12, 6091/3.1=11...(13) H TYR 27 - HG2 ARG 35 OK 44 83 - 53 - 11187/1.8=12, 3.9/6085=9...(14) H THR 110 - QD2 LEU 26 OK 15 99 - 16 - 267/2.1=3, 3.0/10899=2...(6) H SER 44 - QD2 LEU 26 OK 10 81 - 13 - 5.0/10557=5, 3.9/10900=1...(5) H GLY 94 - QD2 LEU 26 lone 6 62 - 9 - 274/2.1=2, 258/3.1=1...(5) H TRP 17 - QD2 LEU 26 lone 5 81 - 6 - 6049/10556=2 H THR 110 - HG2 ARG 35 lone 4 89 - 5 - 7308/11466=1 H ARG 55 - QD2 LEU 26 lone 3 72 - 4 - H SER 44 - HG2 ARG 35 lone 2 69 - 2 - H GLY 94 - HG2 ARG 35 lone 2 52 - 3 - H ARG 55 - HG2 ARG 35 lone 1 61 - 2 - H TRP 17 - HG2 ARG 35 lone 1 69 - 1 - Peak 276 from cnoeabs.peaks (4.07, 1.08, 26.57 ppm; 3.72 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 26 + QD2 LEU 26 OK 98 100 - 98 - 3.8=90, 240/2.1=16...(27) HA LEU 26 + HG2 ARG 35 OK 71 92 - 78 - 10864/1.8=25, ~10866=14...(20) HA LYS 34 + QD2 LEU 26 OK 52 100 - 53 - 241=9, 268/2.1=8...(16) HA LYS 34 - HG2 ARG 35 OK 27 90 - 30 - ~8093=9, 10864/1.8=7...(7) HA LEU 132 - QD2 LEU 26 OK 21 96 - 21 - 268/2.1=3, 4.0/10911=3...(9) HA LYS 24 - QD2 LEU 26 OK 20 81 - 25 - 11347/5.0=4, 11319/3.1=3...(11) HD3 PRO 118 - QD2 LEU 26 OK 18 96 - 19 - 268/2.1=3, 252/3.1=2...(6) HA GLU 90 - QD2 LEU 26 OK 13 96 - 13 - 268/2.1=2, 3.0/10583=2...(5) HA VAL 53 - QD2 LEU 26 OK 12 89 - 14 - 268/2.1=2, 252/3.1=2...(5) HA LYS 24 - HG2 ARG 35 poor 10 69 - 14 - 11318/2.9=4...(6) HA LEU 132 - HG2 ARG 35 lone 5 85 - 5 - HA GLU 90 - HG2 ARG 35 lone 4 85 - 5 - 6175/4.5=2 HD3 PRO 118 - HG2 ARG 35 lone 4 85 - 5 - HA VAL 53 - HG2 ARG 35 lone 4 77 - 5 - 6175/4.5=1 Peak 277 from cnoeabs.peaks (2.07, 1.08, 26.57 ppm; 3.47 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 3.1=100 HB2 LEU 26 + HG2 ARG 35 OK 68 92 - 74 - 1.8/257=14, 3.2/273=12...(24) HA ARG 35 - HG2 ARG 35 OK 42 52 - 81 - 3.9=72, ~6188=7...(7) HA ARG 35 - QD2 LEU 26 OK 32 62 - 52 - 3.9/624=8, 2.8/6187=8...(21) HD2 ARG 49 - HG2 ARG 35 OK 22 91 - 24 - ~10661=5, 1287/2.9=3...(10) HB3 LYS 61 - QD2 LEU 26 OK 22 100 - 22 - ~10584=3, 269/2.1=3...(8) HG2 GLU 122 - QD2 LEU 26 OK 16 98 - 16 - 1.8/10583=3, ~9456=3...(5) HB2 PRO 129 - QD2 LEU 26 OK 15 99 - 15 - 253/3.1=2, 269/2.1=2...(5) HD2 ARG 49 - QD2 LEU 26 OK 15 100 - 15 - 269/2.1=2, 253/3.1=2...(5) HG2 PRO 118 - QD2 LEU 26 OK 10 68 - 15 - 2.3/10899=2, 2.3/276=1...(7) HG3 PRO 98 - HG2 ARG 35 poor 10 52 - 19 - ~11042=5, 603/2.9=2...(8) HB2 GLU 131 - QD2 LEU 26 poor 9 68 - 13 - ~10568=4, 269/2.1=1...(4) HB3 GLN 62 - QD2 LEU 26 lone 8 99 - 8 - 8275/10572=3 HG3 PRO 98 - QD2 LEU 26 poor 8 62 - 13 - 10113/3.1=3...(3) HB3 LYS 61 - HG2 ARG 35 lone 3 92 - 3 - HB3 GLN 62 - HG2 ARG 35 lone 3 89 - 3 - HB2 PRO 129 - HG2 ARG 35 lone 2 89 - 2 - HG2 GLU 122 - HG2 ARG 35 lone 2 87 - 2 - HG2 PRO 118 - HG2 ARG 35 lone 2 57 - 3 - HB2 GLU 131 - HG2 ARG 35 lone 1 57 - 2 - Peak 278 from cnoeabs.peaks (1.64, 1.08, 26.57 ppm; 3.08 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 26 + QD2 LEU 26 OK 99 100 - 99 - 3.1=98, 262/2.1=21...(14) HB3 LEU 26 + HG2 ARG 35 OK 61 92 - 67 - 257=12, 3.2/273=9...(26) HG3 LYS 34 - QD2 LEU 26 OK 33 94 - 35 - 270/2.1=5, ~10584=5...(14) HD2 LYS 24 - QD2 LEU 26 OK 19 94 - 20 - 10911/2.1=4, 10908/3.8=3...(6) HB2 PRO 57 - QD2 LEU 26 OK 18 68 - 27 - 3.0/10566=5, 270/2.1=4...(6) HB2 LYS 114 - HG2 ARG 35 OK 13 52 - 24 - 1.8/3759=3, 2.9/3770=3...(11) HG3 LYS 34 - HG2 ARG 35 OK 10 83 - 12 - 6179/4.5=4, 10968/3.9=3 HB2 LYS 114 - QD2 LEU 26 poor 10 62 - 16 - 270/2.1=3, 262/2.1=2...(6) HD3 LYS 93 - QD2 LEU 26 poor 8 62 - 13 - 270/2.1=1, 262/2.1=1...(4) HD2 LYS 24 - HG2 ARG 35 lone 7 83 - 9 - 6179/4.5=2, 10913/2.9=1 HD3 LYS 93 - HG2 ARG 35 lone 4 52 - 8 - HB2 PRO 57 - HG2 ARG 35 lone 2 57 - 4 - Peak 279 from cnoeabs.peaks (1.69, 1.08, 26.57 ppm; 2.81 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 2.1=100 HG LEU 97 + QD2 LEU 26 OK 53 98 - 54 - 2.1/10908=10, 265=8...(22) HG LEU 26 + HG2 ARG 35 OK 51 92 - 56 - 265=12, 2.1/273=11...(18) HG3 ARG 141 - QD2 LEU 26 OK 36 96 - 38 - 10505=20, 271/2.1=5...(8) HB ILE 58 - QD2 LEU 26 OK 27 77 - 35 - 2.1/10572=18, 271/2.1=3...(10) HD2 LYS 86 - QD2 LEU 26 OK 14 77 - 17 - 271/2.1=2, 3.0/10565=2...(7) HD2 LYS 93 - QD2 LEU 26 OK 10 81 - 12 - 255/3.1=1, 271/2.1=1...(4) HB2 LYS 85 - QD2 LEU 26 lone 7 81 - 8 - 3.6/10961=3, 3.6/10961=2 HG LEU 97 - HG2 ARG 35 lone 5 87 - 6 - HB3 LEU 95 - QD2 LEU 26 lone 5 68 - 7 - HD2 LYS 93 - HG2 ARG 35 lone 5 69 - 7 - HG3 ARG 141 - HG2 ARG 35 lone 5 85 - 6 - 10505=3 HB3 LEU 95 - HG2 ARG 35 lone 3 57 - 5 - HD2 LYS 86 - HG2 ARG 35 lone 2 65 - 3 - HB ILE 58 - HG2 ARG 35 lone 2 65 - 2 - HB2 LYS 85 - HG2 ARG 35 lone 1 69 - 1 - Peak 280 from cnoeabs.peaks (1.18, 1.08, 26.57 ppm; 2.65 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 2.1=100 QD1 LEU 26 + HG2 ARG 35 OK 55 92 - 60 - 273=17, 10575/1.8=10...(22) HB3 LEU 108 - QD2 LEU 26 OK 34 94 - 36 - 1.8/10569=6, 264/2.1=4...(16) HB2 LEU 72 - QD2 LEU 26 lone 7 72 - 9 - 8800/8799=1 QD1 LEU 69 - QD2 LEU 26 lone 7 72 - 9 - 8800/8799=1 HG2 LYS 76 - QD2 LEU 26 lone 5 62 - 9 - 9943/8799=2 HB3 LEU 108 - HG2 ARG 35 lone 4 83 - 5 - QD1 LEU 69 - HG2 ARG 35 lone 2 61 - 3 - HB2 LEU 72 - HG2 ARG 35 lone 2 61 - 3 - HG2 LYS 76 - HG2 ARG 35 lone 2 52 - 3 - Peak 281 from cnoeabs.peaks (1.08, 1.08, 26.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 26 + QD2 LEU 26 OK 100 100 - 100 HG2 ARG 35 + HG2 ARG 35 OK 87 87 - 100 Peak 282 from cnoeabs.peaks (7.82, 1.08, 26.57 ppm; 3.60 A): 4 out of 10 assignments used, quality = 0.98: H LEU 26 + QD2 LEU 26 OK 79 94 - 84 - 5.0=38, 6084/2.1=18...(18) * H TYR 27 + QD2 LEU 26 OK 62 100 - 62 - 6090/3.1=13, 6091/3.1=12...(13) H LEU 26 + HG2 ARG 35 OK 57 83 - 69 - 10866/1.8=25, 6085=16...(12) H TYR 27 + HG2 ARG 35 OK 51 92 - 55 - 11187/1.8=14, 3.9/6085=9...(15) H THR 110 - QD2 LEU 26 OK 16 100 - 16 - 274/2.1=3, 3.0/10899=2...(7) H SER 44 - QD2 LEU 26 OK 14 99 - 14 - 5.0/10557=5, 266/2.1=1...(5) H GLY 94 - QD2 LEU 26 OK 11 92 - 11 - 274/2.1=2, 258/3.1=2...(5) H THR 110 - HG2 ARG 35 lone 5 90 - 5 - 7308/11466=1 H GLY 94 - HG2 ARG 35 lone 3 80 - 4 - H SER 44 - HG2 ARG 35 lone 2 89 - 3 - Peak 283 from cnoeabs.peaks (7.82, 3.79, 62.02 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 H LEU 26 - HA TYR 27 OK 36 94 - 39 - 10869/8046=10, 290/3.0=8...(10) H GLY 94 - HA TYR 27 OK 13 92 - 14 - 6102/3.6=2, ~7096=2...(5) H THR 110 - HA TYR 27 OK 11 100 - 11 - 4.0/8044=2, 297/3.0=1, 290/3.0=1 H SER 44 - HA TYR 27 lone 9 99 - 9 - 297/3.0=2, 290/3.0=1, 6102/3.6=1 Peak 284 from cnoeabs.peaks (3.79, 3.79, 62.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 27 + HA TYR 27 OK 100 100 - 100 Peak 285 from cnoeabs.peaks (3.06, 3.79, 62.02 ppm; 3.91 A): 1 out of 8 assignments used, quality = 1.00: * HB2 TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 HB3 ASP 30 - HA TYR 27 OK 39 92 - 43 - 1.8/286=9, 299/3.0=6...(14) HE3 LYS 86 - HA TYR 27 OK 27 99 - 28 - 3.0/8043=5, 299/3.0=3...(13) HE2 LYS 86 - HA TYR 27 OK 27 98 - 27 - 3.0/8043=5, 299/3.0=3...(13) HE3 LYS 34 - HA TYR 27 OK 22 100 - 22 - 10567/4.9=4, 2.9/10807=3...(10) HE2 LYS 34 - HA TYR 27 OK 22 98 - 22 - 10567/4.9=4, 2.9/10807=3...(10) HB3 TRP 88 - HA TYR 27 OK 20 92 - 21 - 11014/3.7=6, 299/3.0=3...(9) HB2 HIS 10 - HA TYR 27 lone 2 92 - 2 - Peak 286 from cnoeabs.peaks (2.97, 3.79, 62.02 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 HB2 ASP 30 - HA TYR 27 OK 38 89 - 43 - 293/3.0=9, 1.8/285=6...(14) HA VAL 71 - HA TYR 27 OK 25 100 - 25 - 293/3.0=4, 4551/3.7=3...(12) HA VAL 82 - HA TYR 27 poor 8 72 - 11 - 293/3.0=2, 4551/3.7=2...(6) Peak 287 from cnoeabs.peaks (7.20, 3.79, 62.02 ppm; 4.11 A): 1 out of 5 assignments used, quality = 1.00: * QD TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.7=100 H LYS 36 - HA TYR 27 OK 35 62 - 56 - 3.9/10971=18, ~11208=13...(12) H GLU 37 - HA TYR 27 OK 27 77 - 36 - 4.5/10971=15...(8) HE3 TRP 88 - HA TYR 27 OK 17 100 - 17 - 6098/3.0=4, 294/3.0=3...(7) HE3 TRP 17 - HA TYR 27 lone 3 68 - 5 - Peak 289 from cnoeabs.peaks (7.70, 3.79, 62.02 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + HA TYR 27 OK 100 100 - 100 - 3.6=100 H PHE 106 - HA TYR 27 OK 17 100 - 17 - 303/3.0=8, 296/3.0=5, 6100/3.0=5 H ALA 134 - HA TYR 27 OK 16 98 - 16 - 6100/3.0=5, 303/3.0=5...(4) Peak 290 from cnoeabs.peaks (7.82, 3.06, 38.91 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 3.9=100 H LEU 26 + HB2 TYR 27 OK 55 94 - 58 - 3.6/11367=19...(10) H GLY 94 - HB2 TYR 27 poor 9 92 - 10 - 283/3.0=3, 297/1.8=2...(4) H SER 44 - HB2 TYR 27 lone 9 99 - 9 - 297/1.8=3, 283/3.0=2...(4) H THR 110 - HB2 TYR 27 lone 7 100 - 7 - 283/3.0=2, 297/1.8=2 Peak 291 from cnoeabs.peaks (3.79, 3.06, 38.91 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 3.0=100 HA GLN 47 - HB2 TYR 27 OK 33 92 - 36 - 298/1.8=8, ~1111=7...(6) Peak 292 from cnoeabs.peaks (3.06, 3.06, 38.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + HB2 TYR 27 OK 100 100 - 100 Peak 293 from cnoeabs.peaks (2.97, 3.06, 38.91 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 1.8=100 HB2 ASP 30 - HB2 TYR 27 OK 39 89 - 44 - 395=7, 286/3.0=5, ~399=4...(18) HA VAL 71 - HB2 TYR 27 OK 21 100 - 21 - 286/3.0=3, ~2087=2...(12) HA VAL 82 - HB2 TYR 27 poor 9 72 - 12 - ~9975=3, ~10000=2...(6) Peak 294 from cnoeabs.peaks (7.20, 3.06, 38.91 ppm; 5.28 A): 1 out of 5 assignments used, quality = 1.00: * QD TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 2.6=100 H LYS 36 - HB2 TYR 27 OK 43 62 - 69 - ~11208=30, ~10823=15...(10) HE3 TRP 88 - HB2 TYR 27 OK 26 100 - 27 - 4.2/2832=5, 6098/3.9=5...(8) H GLU 37 - HB2 TYR 27 OK 20 77 - 26 - 301/1.8=8, 287/3.0=6...(5) HE3 TRP 17 - HB2 TYR 27 lone 3 68 - 5 - 301/1.8=1 Peak 296 from cnoeabs.peaks (7.70, 3.06, 38.91 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + HB2 TYR 27 OK 100 100 - 100 - 4.7=100 H PHE 106 - HB2 TYR 27 OK 18 100 - 18 - 303/1.8=9, 289/3.0=4, 6100/3.9=4 H ALA 134 - HB2 TYR 27 OK 15 98 - 15 - 303/1.8=5, 6100/3.9=4...(4) Peak 297 from cnoeabs.peaks (7.82, 2.97, 38.91 ppm; 4.48 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 3.9=100 H LEU 26 - HB3 TYR 27 OK 43 94 - 46 - 3.6/11368=13, 290/1.8=11...(10) H SER 44 - HB3 TYR 27 OK 11 99 - 11 - 3.9/11499=2, 3.9/11499=2...(5) H GLY 94 - HB3 TYR 27 lone 8 92 - 9 - 283/3.0=3, 290/1.8=2...(4) H THR 110 - HB3 TYR 27 lone 7 100 - 7 - 283/3.0=2, 290/1.8=1 Peak 298 from cnoeabs.peaks (3.79, 2.97, 38.91 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 3.0=100 HA GLN 47 - HB3 TYR 27 OK 19 92 - 20 - 6095/3.9=4, 291/1.8=4...(6) Peak 299 from cnoeabs.peaks (3.06, 2.97, 38.91 ppm; 3.20 A): 1 out of 8 assignments used, quality = 1.00: * HB2 TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 1.8=100 HB3 ASP 30 - HB3 TYR 27 OK 38 92 - 42 - 399=7, 3.0/389=6, ~293=5...(17) HB3 TRP 88 - HB3 TYR 27 OK 19 92 - 21 - ~11013=4, 11014/2.6=3...(10) HE3 LYS 86 - HB3 TYR 27 OK 18 99 - 18 - 285/3.0=2, 1.8/399=2...(8) HE2 LYS 86 - HB3 TYR 27 OK 18 98 - 18 - 285/3.0=2, ~8043=2...(8) HE3 LYS 34 - HB3 TYR 27 OK 12 100 - 12 - 285/3.0=2, 6096/3.9=2...(4) HE2 LYS 34 - HB3 TYR 27 OK 12 98 - 12 - 285/3.0=2, 6096/3.9=2...(4) HB2 HIS 10 - HB3 TYR 27 lone 1 92 - 1 - Peak 300 from cnoeabs.peaks (2.97, 2.97, 38.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + HB3 TYR 27 OK 100 100 - 100 Peak 301 from cnoeabs.peaks (7.20, 2.97, 38.91 ppm; 4.63 A): 1 out of 5 assignments used, quality = 1.00: * QD TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 2.6=100 H LYS 36 - HB3 TYR 27 OK 39 62 - 63 - 2.8/11208=32, 4554/4.5=8...(10) H GLU 37 - HB3 TYR 27 OK 33 77 - 43 - 3.6/11208=29, 287/3.0=5...(6) HE3 TRP 88 - HB3 TYR 27 OK 18 100 - 18 - 294/1.8=4, 6098/3.9=4...(5) HE3 TRP 17 - HB3 TYR 27 lone 5 68 - 7 - 11060/4503=2, 657/11208=1 Peak 303 from cnoeabs.peaks (7.70, 2.97, 38.91 ppm; 3.54 A): 2 out of 3 assignments used, quality = 0.66: * H GLU 28 + HB3 TYR 27 OK 60 100 - 60 - 4.7=44, 6104/1.8=11...(6) H PHE 106 + HB3 TYR 27 OK 15 100 - 15 - 4.6/9229=4, 296/1.8=3...(5) H ALA 134 - HB3 TYR 27 lone 9 98 - 9 - 296/1.8=2, 6100/3.9=2, 289/3.0=2 Peak 304 from cnoeabs.peaks (7.70, 4.55, 55.40 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 H ALA 134 - HA GLU 28 OK 29 98 - 30 - 6115/3.6=8, 318/3.0=5...(8) H PHE 106 - HA GLU 28 OK 22 100 - 22 - 311/3.0=4, 318/3.0=4...(7) Peak 305 from cnoeabs.peaks (4.55, 4.55, 55.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HA GLU 28 OK 100 100 - 100 Peak 306 from cnoeabs.peaks (2.22, 4.55, 55.40 ppm; 3.00 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HG2 GLU 28 + HA GLU 28 OK 82 100 - 83 - 3.8=48, 1.8/309=21...(16) HB3 PRO 12 - HA GLU 28 OK 23 100 - 23 - 320/3.0=3, ~78=2, ~78=2...(14) Peak 307 from cnoeabs.peaks (1.86, 4.55, 55.40 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HG LEU 69 - HA GLU 28 OK 20 100 - 20 - 8460/3.6=6, 314/3.0=3...(6) HB3 LYS 76 - HA GLU 28 OK 17 100 - 17 - 314/3.0=3, 6118/3.6=2...(6) HB2 LYS 93 - HA GLU 28 OK 14 68 - 21 - 6110/3.0=3, 314/3.0=3...(10) HB3 LYS 85 - HA GLU 28 OK 12 98 - 12 - 314/3.0=2, 6110/3.0=2...(5) HB2 LYS 48 - HA GLU 28 lone 4 77 - 6 - 335/3.8=1, 328/3.8=1, 314/3.0=1 HB2 ARG 144 - HA GLU 28 lone 1 62 - 1 - Peak 308 from cnoeabs.peaks (2.22, 4.55, 55.40 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 * HG2 GLU 28 + HA GLU 28 OK 82 100 - 82 - 3.8=48, 1.8/309=21...(16) HB3 PRO 12 - HA GLU 28 OK 23 98 - 23 - 320/3.0=3, ~78=2, ~78=2...(14) HG2 GLU 37 - HA GLU 28 lone 5 72 - 7 - 10768/3.6=4, 320/3.0=1 Peak 309 from cnoeabs.peaks (2.45, 4.55, 55.40 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.95: * HG3 GLU 28 + HA GLU 28 OK 93 100 - 93 - 3.8=72, 1.8/326=29...(13) HB3 GLU 131 + HA GLU 28 OK 32 100 - 32 - 323/3.0=6, 316/3.0=6...(11) HG3 GLU 131 - HA GLU 28 OK 14 72 - 20 - 323/3.0=4, 316/3.0=4...(8) HG2 MET 11 - HA GLU 28 lone 2 68 - 3 - Peak 311 from cnoeabs.peaks (7.70, 2.22, 29.57 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 28 + HB2 GLU 28 OK 98 100 - 98 - 4.0=84, 318/1.8=25...(19) H ALA 134 - HB2 GLU 28 OK 28 98 - 29 - 318/1.8=7, 6115/4.3=6...(6) H PHE 106 - HB2 GLU 28 OK 22 100 - 22 - 318/1.8=6, 332/3.0=5...(5) Peak 312 from cnoeabs.peaks (4.55, 2.22, 29.57 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 98 - HB2 GLU 28 OK 24 100 - 24 - 319/1.8=6, 326/3.0=4...(9) HA LEU 97 - HB2 GLU 28 OK 15 98 - 15 - 319/1.8=4, 333/3.0=2...(5) HA MET 59 - HB2 GLU 28 lone 2 72 - 3 - Peak 313 from cnoeabs.peaks (2.22, 2.22, 29.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Peak 314 from cnoeabs.peaks (1.86, 2.22, 29.57 ppm; 3.01 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 1.8=100 HG LEU 69 - HB2 GLU 28 OK 17 100 - 18 - 8460/4.3=4, 307/3.0=2...(9) HB3 LYS 76 - HB2 GLU 28 OK 16 100 - 16 - 307/3.0=2, 328/3.0=2...(8) HB2 LYS 93 - HB2 GLU 28 OK 16 68 - 23 - 335/3.0=3, 328/3.0=2...(12) HB3 LYS 85 - HB2 GLU 28 OK 11 98 - 11 - 328/3.0=2, 335/3.0=2, 307/3.0=2 HB2 LYS 48 - HB2 GLU 28 lone 6 77 - 8 - ~8054=1, 335/3.0=1...(4) HB2 ARG 144 - HB2 GLU 28 lone 1 62 - 2 - Peak 315 from cnoeabs.peaks (2.22, 2.22, 29.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG2 GLU 28 - HB2 GLU 28 Peak 316 from cnoeabs.peaks (2.45, 2.22, 29.57 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 GLU 131 - HB2 GLU 28 OK 37 100 - 36 - 323/1.8=8, 309/3.0=6...(11) HG3 GLU 131 - HB2 GLU 28 OK 17 72 - 24 - 323/1.8=5, ~323=4...(10) HG2 MET 11 - HB2 GLU 28 lone 3 68 - 4 - Peak 318 from cnoeabs.peaks (7.70, 1.86, 29.57 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.97: * H GLU 28 + HB3 GLU 28 OK 97 100 - 97 - 4.0=84, 311/1.8=24...(17) H ALA 134 - HB3 GLU 28 OK 29 98 - 29 - 311/1.8=7, 6115/4.3=6...(6) H PHE 106 - HB3 GLU 28 OK 22 100 - 22 - 311/1.8=6, 332/3.0=5...(5) Peak 319 from cnoeabs.peaks (4.55, 1.86, 29.57 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 98 - HB3 GLU 28 OK 27 100 - 27 - 312/1.8=7, 333/3.0=4...(9) HA LEU 97 - HB3 GLU 28 OK 17 98 - 17 - 312/1.8=4, 333/3.0=3...(5) HA MET 59 - HB3 GLU 28 lone 3 72 - 4 - Peak 320 from cnoeabs.peaks (2.22, 1.86, 29.57 ppm; 2.82 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 1.8=100 HG2 GLU 28 + HB3 GLU 28 OK 94 100 - 95 - 3.0=86, 326/3.0=14...(12) HB3 PRO 12 - HB3 GLU 28 OK 28 100 - 28 - ~78=3, ~78=3, ~70=3...(14) Peak 321 from cnoeabs.peaks (1.86, 1.86, 29.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 Peak 322 from cnoeabs.peaks (2.22, 1.86, 29.57 ppm; 2.82 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 1.8=100 * HG2 GLU 28 + HB3 GLU 28 OK 95 100 - 95 - 3.0=86, 326/3.0=15...(12) HB3 PRO 12 - HB3 GLU 28 OK 27 98 - 28 - ~78=3, ~78=3, ~70=3...(14) HG2 GLU 37 - HB3 GLU 28 lone 7 72 - 9 - 10768/4.3=3, 3.8/9776=2 Peak 323 from cnoeabs.peaks (2.45, 1.86, 29.57 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 GLU 131 - HB3 GLU 28 OK 41 100 - 41 - 316/1.8=9, 309/3.0=6...(14) HG3 GLU 131 - HB3 GLU 28 OK 19 72 - 27 - 316/1.8=5, ~316=4...(12) HG2 MET 11 - HB3 GLU 28 lone 3 68 - 4 - Peak 324 from cnoeabs.peaks (6.91, 1.86, 29.57 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 GLU 28 OK 100 100 - 100 - 4.3=100 HE21 GLN 22 - HB3 GLU 28 lone 8 85 - 10 - 6113/4.0=4, 10852/1.8=3 HD2 HIS 14 - HB3 GLU 28 lone 6 72 - 8 - 6113/4.0=3, 10854/3.0=2 Peak 325 from cnoeabs.peaks (7.70, 2.22, 36.00 ppm; 3.81 A): 3 out of 3 assignments used, quality = 0.95: * H GLU 28 + HG2 GLU 28 OK 92 100 - 92 - 4.9=47, 3.0/326=26...(13) H ALA 134 + HG2 GLU 28 OK 23 98 - 24 - 332/1.8=7, 318/3.0=6...(6) H PHE 106 + HG2 GLU 28 OK 19 100 - 19 - 332/1.8=6, 311/3.0=4...(5) Peak 326 from cnoeabs.peaks (4.55, 2.22, 36.00 ppm; 3.27 A): 2 out of 4 assignments used, quality = 0.92: * HA GLU 28 + HG2 GLU 28 OK 90 100 - 90 - 3.8=62, 309/1.8=25...(16) HA PRO 98 + HG2 GLU 28 OK 15 100 - 15 - 333/1.8=4, 312/3.0=4...(4) HA LEU 97 - HG2 GLU 28 lone 9 98 - 10 - 333/1.8=3, 312/3.0=3...(4) HA MET 59 - HG2 GLU 28 lone 1 72 - 2 - Peak 327 from cnoeabs.peaks (2.22, 2.22, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HB2 GLU 28 - HG2 GLU 28 Peak 328 from cnoeabs.peaks (1.86, 2.22, 36.00 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LYS 93 - HG2 GLU 28 OK 18 68 - 26 - 335/1.8=4, ~8054=4...(11) HG LEU 69 - HG2 GLU 28 OK 15 100 - 15 - 335/1.8=3, 314/3.0=3...(4) HB3 LYS 76 - HG2 GLU 28 OK 15 100 - 15 - 335/1.8=3, 314/3.0=3...(5) HB3 LYS 85 - HG2 GLU 28 OK 13 98 - 13 - 335/1.8=3, 314/3.0=2...(4) HB2 LYS 48 - HG2 GLU 28 poor 9 77 - 11 - ~8054=2, 335/1.8=2...(4) HB2 ARG 144 - HG2 GLU 28 lone 2 62 - 2 - Peak 329 from cnoeabs.peaks (2.22, 2.22, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 330 from cnoeabs.peaks (2.45, 2.22, 36.00 ppm; 2.63 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 1.8=100 HB3 GLU 131 - HG2 GLU 28 OK 20 100 - 20 - 316/3.0=4, 323/3.0=4...(8) HG3 GLU 131 - HG2 GLU 28 poor 9 72 - 13 - 323/3.0=2, 316/3.0=2...(6) HG2 MET 11 - HG2 GLU 28 lone 1 68 - 2 - Peak 332 from cnoeabs.peaks (7.70, 2.45, 36.00 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.93: * H GLU 28 + HG3 GLU 28 OK 93 100 - 93 - 4.9=46, 325/1.8=25...(15) H ALA 134 - HG3 GLU 28 OK 26 98 - 26 - 325/1.8=6, 318/3.0=6...(8) H PHE 106 - HG3 GLU 28 OK 22 100 - 22 - 325/1.8=5, 311/3.0=4...(5) Peak 333 from cnoeabs.peaks (4.55, 2.45, 36.00 ppm; 3.51 A): 1 out of 4 assignments used, quality = 0.94: * HA GLU 28 + HG3 GLU 28 OK 94 100 - 94 - 3.8=77, 326/1.8=30...(13) HA PRO 98 - HG3 GLU 28 OK 17 100 - 17 - 326/1.8=5, 312/3.0=5...(4) HA LEU 97 - HG3 GLU 28 OK 11 98 - 11 - 326/1.8=3, 319/3.0=3...(4) HA MET 59 - HG3 GLU 28 lone 2 72 - 2 - Peak 334 from cnoeabs.peaks (2.22, 2.45, 36.00 ppm; 2.56 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 1.8=100 * HB2 GLU 28 + HG3 GLU 28 OK 81 100 - 81 - 3.0=65, 3.0/309=11...(13) HB3 PRO 12 - HG3 GLU 28 OK 18 100 - 18 - ~78=3, 320/3.0=2, ~70=2...(10) Peak 335 from cnoeabs.peaks (1.86, 2.45, 36.00 ppm; 3.42 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LYS 93 - HG3 GLU 28 OK 23 68 - 34 - 2.9/8054=6, 5.1/8049=6...(12) HG LEU 69 - HG3 GLU 28 OK 17 100 - 18 - 328/1.8=3, 314/3.0=3...(7) HB3 LYS 76 - HG3 GLU 28 OK 17 100 - 17 - 328/1.8=3, 314/3.0=3...(6) HB3 LYS 85 - HG3 GLU 28 OK 14 98 - 15 - 328/1.8=3, 314/3.0=2...(6) HB2 LYS 48 - HG3 GLU 28 OK 11 77 - 14 - 2.9/8054=3, 2.9/10542=3...(6) HB2 ARG 144 - HG3 GLU 28 lone 2 62 - 2 - Peak 336 from cnoeabs.peaks (2.22, 2.45, 36.00 ppm; 2.56 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 1.8=100 HB2 GLU 28 + HG3 GLU 28 OK 81 100 - 81 - 3.0=65, 3.0/309=11...(13) HB3 PRO 12 - HG3 GLU 28 OK 18 98 - 18 - ~78=3, 320/3.0=2, ~70=2...(10) HG2 GLU 37 - HG3 GLU 28 lone 3 72 - 5 - 3.8/8053=1 Peak 337 from cnoeabs.peaks (2.45, 2.45, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 Peak 339 from cnoeabs.peaks (6.91, 3.94, 58.31 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.0=100 HE21 GLN 22 - HA LEU 29 OK 22 85 - 26 - 355/2.9=6, 347/2.9=5...(6) HD2 HIS 14 - HA LEU 29 lone 7 72 - 9 - 6129/3.6=2, 355/2.9=2...(6) Peak 340 from cnoeabs.peaks (3.94, 3.94, 58.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 Peak 341 from cnoeabs.peaks (1.52, 3.94, 58.31 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 HG3 LYS 76 + HA LEU 29 OK 47 100 - 48 - 357/2.9=7, 3.0/342=4...(23) HD2 LYS 76 - HA LEU 29 OK 39 94 - 41 - 2297/2.9=6, 3.5/342=4...(20) QB ALA 135 - HA LEU 29 OK 20 100 - 20 - 4.0/342=3, 6122/3.0=2...(11) HG3 LYS 85 - HA LEU 29 OK 18 99 - 18 - 10043/3.7=3, 357/2.9=2...(7) HG3 PRO 57 - HA LEU 29 OK 12 96 - 13 - 357/2.9=1, ~1533=1...(5) HG2 LYS 93 - HA LEU 29 OK 10 100 - 10 - 6122/3.0=2, 357/2.9=1 HB2 LYS 123 - HA LEU 29 lone 3 92 - 3 - HB2 GLU 122 - HA LEU 29 lone 3 62 - 4 - Peak 342 from cnoeabs.peaks (1.49, 3.94, 58.31 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 HD3 LYS 114 - HA LEU 29 OK 33 98 - 34 - 350/2.9=5, 6132/3.6=4...(14) QB ALA 134 - HA LEU 29 OK 27 92 - 29 - 2.9/10838=5, 350/2.9=4...(12) HG13 ILE 101 - HA LEU 29 OK 18 100 - 18 - 6123/3.0=3, 350/2.9=3...(7) HG2 LYS 34 - HA LEU 29 lone 7 77 - 9 - 6132/3.6=1 Peak 343 from cnoeabs.peaks (2.16, 3.94, 58.31 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.98: * HG LEU 29 + HA LEU 29 OK 98 100 - 98 - 3.7=87, 2.1/372=29...(21) HB3 GLN 133 - HA LEU 29 OK 35 72 - 48 - 359/2.9=5, 351/2.9=5...(19) HB2 GLN 133 - HA LEU 29 OK 32 68 - 48 - 2.9/10847=5, 359/2.9=5...(19) HB2 GLN 25 - HA LEU 29 OK 28 89 - 32 - 375/4.0=5, 359/2.9=5...(9) Peak 344 from cnoeabs.peaks (0.91, 3.94, 58.31 ppm; 2.71 A): 5 out of 7 assignments used, quality = 0.88: * QD2 LEU 29 + HA LEU 29 OK 78 100 - 78 - 372=33, 371/3.0=13...(18) HB2 LEU 64 + HA LEU 29 OK 22 99 - 23 - 352/2.9=4, 360/2.9=4...(10) QG1 VAL 63 + HA LEU 29 OK 13 92 - 14 - 360/2.9=2, 352/2.9=2...(7) QG1 VAL 53 + HA LEU 29 OK 12 89 - 14 - 3.2/9840=5, 360/2.9=2...(7) QG2 VAL 63 + HA LEU 29 OK 11 77 - 14 - 352/2.9=2, 360/2.9=2...(7) HB2 LEU 108 - HA LEU 29 lone 4 68 - 5 - 352/2.9=1, 360/2.9=1 QG2 ILE 91 - HA LEU 29 lone 4 77 - 5 - Peak 345 from cnoeabs.peaks (0.96, 3.94, 58.31 ppm; 3.34 A): 2 out of 3 assignments used, quality = 0.96: * QD1 LEU 29 + HA LEU 29 OK 93 100 - 93 - 4.0=57, 2.1/372=28...(19) HG3 ARG 35 + HA LEU 29 OK 42 100 - 42 - 6126/3.0=7, ~10882=7...(10) QG2 THR 51 - HA LEU 29 OK 30 100 - 30 - 361/2.9=6, 353/2.9=6...(7) Peak 346 from cnoeabs.peaks (7.31, 3.94, 58.31 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 30 + HA LEU 29 OK 100 100 - 100 - 3.6=100 H ARG 35 + HA LEU 29 OK 45 100 - 45 - 6127/3.0=9, 6188/4.0=8...(8) QD TYR 115 - HA LEU 29 OK 44 100 - 45 - 362/2.9=8, 354/2.9=8...(9) Peak 347 from cnoeabs.peaks (6.91, 1.52, 42.06 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 4.0=100 HE21 GLN 22 - HB2 LEU 29 OK 36 85 - 43 - 355/1.8=9, 363/3.0=8...(8) HD2 HIS 14 - HB2 LEU 29 poor 10 72 - 13 - 355/1.8=3, 379/3.1=2...(6) Peak 348 from cnoeabs.peaks (3.94, 1.52, 42.06 ppm; 3.78 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 2.9=100 HD3 PRO 129 - HB2 LEU 29 OK 38 100 - 39 - 356/1.8=8, 364/3.0=6...(16) HA LYS 86 - HB2 LEU 29 OK 32 89 - 36 - 356/1.8=6, ~8875=5...(11) HA2 GLY 143 - HB2 LEU 29 lone 6 92 - 6 - 356/1.8=1, 380/3.1=1, 364/3.0=1 HA LYS 48 - HB2 LEU 29 lone 5 77 - 6 - 380/3.1=1, 356/1.8=1 HA3 GLY 94 - HB2 LEU 29 lone 5 62 - 8 - 3.0/7102=2, 356/1.8=1 HA ALA 60 - HB2 LEU 29 lone 2 62 - 4 - Peak 349 from cnoeabs.peaks (1.52, 1.52, 42.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 350 from cnoeabs.peaks (1.49, 1.52, 42.06 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 1.8=100 HD3 LYS 114 - HB2 LEU 29 OK 40 98 - 41 - 382/3.1=4, ~3794=4...(16) QB ALA 134 - HB2 LEU 29 OK 31 92 - 34 - 382/3.1=4, 374/3.2=4...(14) HG13 ILE 101 - HB2 LEU 29 OK 21 100 - 21 - 382/3.1=2, 342/2.9=2...(11) HG2 LYS 34 - HB2 LEU 29 lone 8 77 - 10 - 374/3.2=1, 382/3.1=1...(4) Peak 351 from cnoeabs.peaks (2.16, 1.52, 42.06 ppm; 4.32 A): 4 out of 4 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.0=100 HB2 GLN 25 + HB2 LEU 29 OK 68 89 - 76 - ~10532=12, ~9778=10...(23) HB3 GLN 133 + HB2 LEU 29 OK 55 72 - 76 - 359/1.8=9, ~9616=8...(30) HB2 GLN 133 + HB2 LEU 29 OK 51 68 - 76 - 359/1.8=8, ~9616=8...(30) Peak 352 from cnoeabs.peaks (0.91, 1.52, 42.06 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.2=100 HB2 LEU 64 + HB2 LEU 29 OK 59 99 - 60 - 360/1.8=9, ~10623=8...(23) QG1 VAL 63 - HB2 LEU 29 OK 31 92 - 33 - 360/1.8=4, 384/3.1=4...(16) QG1 VAL 53 - HB2 LEU 29 OK 28 89 - 32 - ~9840=4, 360/1.8=4...(15) QG2 VAL 63 - HB2 LEU 29 OK 28 77 - 37 - 360/1.8=4, ~360=3...(19) HB2 LEU 108 - HB2 LEU 29 OK 12 68 - 17 - 360/1.8=2, 384/3.1=2...(6) QG2 ILE 91 - HB2 LEU 29 OK 10 77 - 13 - 3.3/8980=2, 360/1.8=1...(5) Peak 353 from cnoeabs.peaks (0.96, 1.52, 42.06 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 HG3 ARG 35 + HB2 LEU 29 OK 46 100 - 46 - 361/1.8=9, 345/2.9=7...(16) QG2 THR 51 - HB2 LEU 29 OK 44 100 - 44 - 361/1.8=8, 369/3.0=7...(13) Peak 354 from cnoeabs.peaks (7.31, 1.52, 42.06 ppm; 4.63 A): 3 out of 3 assignments used, quality = 1.00: * H ASP 30 + HB2 LEU 29 OK 100 100 - 100 - 4.2=100 QD TYR 115 + HB2 LEU 29 OK 64 100 - 64 - 362/1.8=12, 378/3.2=11...(13) H ARG 35 + HB2 LEU 29 OK 56 100 - 57 - 6188/3.1=12, 362/1.8=11...(10) Peak 355 from cnoeabs.peaks (6.91, 1.49, 42.06 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 29 + HB3 LEU 29 OK 99 100 - 99 - 4.0=90, 371/3.2=25...(18) HE21 GLN 22 - HB3 LEU 29 OK 34 85 - 40 - 347/1.8=9, 363/3.0=7...(8) HD2 HIS 14 - HB3 LEU 29 poor 9 72 - 12 - 347/1.8=2, 379/3.1=2...(6) Peak 356 from cnoeabs.peaks (3.94, 1.49, 42.06 ppm; 3.65 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 2.9=100 HD3 PRO 129 - HB3 LEU 29 OK 36 100 - 36 - 348/1.8=7, 364/3.0=5...(16) HA LYS 86 - HB3 LEU 29 OK 29 89 - 32 - 348/1.8=6, 380/3.1=5...(9) HA2 GLY 143 - HB3 LEU 29 lone 6 92 - 6 - 348/1.8=1, 380/3.1=1 HA LYS 48 - HB3 LEU 29 lone 6 77 - 7 - 3.6/7409=1, 380/3.1=1 HA3 GLY 94 - HB3 LEU 29 lone 4 62 - 6 - 348/1.8=1 HA ALA 60 - HB3 LEU 29 lone 2 62 - 4 - Peak 357 from cnoeabs.peaks (1.52, 1.49, 42.06 ppm; 2.99 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 1.8=100 HG3 LYS 76 + HB3 LEU 29 OK 70 100 - 71 - 2286=9, ~8075=6...(45) HD2 LYS 76 + HB3 LEU 29 OK 58 94 - 61 - 2297=7, 1.8/2308=6...(36) QB ALA 135 - HB3 LEU 29 OK 26 100 - 26 - 2.9/7733=5, 9655/3.0=2...(12) HG3 LYS 85 - HB3 LEU 29 OK 24 99 - 25 - ~10042=5, 10043/3.0=3...(8) HG3 PRO 57 - HB3 LEU 29 OK 17 96 - 18 - ~1533=2, 373/3.2=1...(11) HG2 LYS 93 - HB3 LEU 29 OK 14 100 - 14 - 2286=1 HB2 LYS 123 - HB3 LEU 29 lone 4 92 - 5 - HB2 GLU 122 - HB3 LEU 29 lone 3 62 - 5 - Peak 358 from cnoeabs.peaks (1.49, 1.49, 42.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 Peak 359 from cnoeabs.peaks (2.16, 1.49, 42.06 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.0=100 HB2 GLN 25 + HB3 LEU 29 OK 65 89 - 74 - ~10532=11, 375/3.2=9...(23) HB3 GLN 133 + HB3 LEU 29 OK 56 72 - 78 - 3.0/9614=10, 351/1.8=8...(33) HB2 GLN 133 + HB3 LEU 29 OK 52 68 - 78 - 3.0/9614=10, 351/1.8=8...(33) Peak 360 from cnoeabs.peaks (0.91, 1.49, 42.06 ppm; 3.36 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.2=100 HB2 LEU 64 + HB3 LEU 29 OK 60 99 - 61 - 3.1/10623=14, 352/1.8=9...(24) QG1 VAL 63 - HB3 LEU 29 OK 33 92 - 35 - 352/1.8=4, 384/3.1=4...(17) QG1 VAL 53 - HB3 LEU 29 OK 29 89 - 32 - ~9840=4, 352/1.8=4...(15) QG2 VAL 63 - HB3 LEU 29 OK 27 77 - 35 - 352/1.8=4, 384/3.1=3...(19) HB2 LEU 108 - HB3 LEU 29 OK 11 68 - 16 - 352/1.8=3, 384/3.1=2...(6) QG2 ILE 91 - HB3 LEU 29 OK 10 77 - 13 - 352/1.8=1, ~10844=1...(4) Peak 361 from cnoeabs.peaks (0.96, 1.49, 42.06 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 HG3 ARG 35 + HB3 LEU 29 OK 46 100 - 46 - 353/1.8=8, 345/2.9=7...(16) QG2 THR 51 - HB3 LEU 29 OK 43 100 - 43 - 353/1.8=8, 369/3.0=6...(13) Peak 362 from cnoeabs.peaks (7.31, 1.49, 42.06 ppm; 4.41 A): 3 out of 3 assignments used, quality = 1.00: * H ASP 30 + HB3 LEU 29 OK 100 100 - 100 - 4.2=100 QD TYR 115 + HB3 LEU 29 OK 65 100 - 65 - 354/1.8=11, 2.2/10281=11...(18) H ARG 35 + HB3 LEU 29 OK 59 100 - 59 - 6188/3.1=11, 354/1.8=9...(15) Peak 363 from cnoeabs.peaks (6.91, 2.16, 26.52 ppm; 3.53 A): 2 out of 3 assignments used, quality = 0.93: * H LEU 29 + HG LEU 29 OK 90 100 - 90 - 5.2=31, 371/2.1=27...(16) HE21 GLN 22 + HG LEU 29 OK 29 85 - 34 - 371/2.1=8, 379/2.1=7...(7) HD2 HIS 14 - HG LEU 29 poor 8 72 - 11 - 371/2.1=2, 379/2.1=2...(6) Peak 364 from cnoeabs.peaks (3.94, 2.16, 26.52 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.7=100 HD3 PRO 129 - HG LEU 29 OK 39 100 - 39 - 3.8/10263=14, 380/2.1=6...(7) HA LYS 86 - HG LEU 29 OK 32 89 - 36 - ~8875=9, 380/2.1=7...(9) HA2 GLY 143 - HG LEU 29 lone 7 92 - 8 - 4348/10263=2, 380/2.1=2...(5) HA LYS 48 - HG LEU 29 lone 5 77 - 6 - 380/2.1=2, 372/2.1=1 HA3 GLY 94 - HG LEU 29 lone 4 62 - 6 - HA ALA 60 - HG LEU 29 lone 3 62 - 4 - Peak 365 from cnoeabs.peaks (1.52, 2.16, 26.52 ppm; 3.76 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 HG3 LYS 76 + HG LEU 29 OK 81 100 - 82 - ~8075=14, ~8074=13...(41) HD2 LYS 76 + HG LEU 29 OK 70 94 - 74 - ~8075=9, ~8074=9...(31) HG3 LYS 85 - HG LEU 29 OK 39 99 - 39 - 1.8/10042=15, 10043=4...(12) QB ALA 135 - HG LEU 29 OK 36 100 - 36 - ~10835=4, 4.0/366=4...(14) HG3 PRO 57 - HG LEU 29 OK 25 96 - 26 - ~10842=3, ~10843=3...(12) HG2 LYS 93 - HG LEU 29 OK 17 100 - 17 - 381/2.1=2, 373/2.1=2...(8) HB2 LYS 123 - HG LEU 29 lone 6 92 - 6 - HB2 GLU 122 - HG LEU 29 lone 5 62 - 7 - Peak 366 from cnoeabs.peaks (1.49, 2.16, 26.52 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 HD3 LYS 114 + HG LEU 29 OK 47 98 - 48 - 382/2.1=8, 374/2.1=8...(16) QB ALA 134 - HG LEU 29 OK 41 92 - 44 - 382/2.1=7, 374/2.1=7...(13) HG13 ILE 101 - HG LEU 29 OK 26 100 - 26 - 382/2.1=5, 374/2.1=4...(10) HG2 LYS 34 - HG LEU 29 OK 13 77 - 16 - 4.0/10917=4, 374/2.1=2...(5) Peak 367 from cnoeabs.peaks (2.16, 2.16, 26.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 Peak 368 from cnoeabs.peaks (0.91, 2.16, 26.52 ppm; 3.08 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 + HG LEU 29 OK 48 99 - 49 - 384/2.1=7, 3.1/8373=6...(21) QG1 VAL 63 - HG LEU 29 OK 29 92 - 31 - 384/2.1=4, 1801/2.1=3...(15) QG1 VAL 53 - HG LEU 29 OK 24 89 - 27 - 3.2/9769=3, 384/2.1=3...(13) QG2 VAL 63 - HG LEU 29 OK 24 77 - 31 - 1805/2.1=3, 384/2.1=3...(15) HB2 LEU 108 - HG LEU 29 OK 10 68 - 15 - 384/2.1=2, 352/3.0=2...(5) QG2 ILE 91 - HG LEU 29 poor 9 77 - 11 - ~10844=1, 384/2.1=1 Peak 369 from cnoeabs.peaks (0.96, 2.16, 26.52 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 QG2 THR 51 + HG LEU 29 OK 47 100 - 47 - 377/2.1=8, 361/3.0=6...(13) HG3 ARG 35 - HG LEU 29 OK 44 100 - 44 - 377/2.1=7, 361/3.0=7...(17) Peak 371 from cnoeabs.peaks (6.91, 0.91, 23.00 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.88: * H LEU 29 + QD2 LEU 29 OK 84 100 - 84 - 4.9=27, 3.0/372=20...(15) HE21 GLN 22 + QD2 LEU 29 OK 24 85 - 29 - 363/2.1=6, 379/2.1=6...(8) HD2 HIS 14 - QD2 LEU 29 lone 7 72 - 9 - 363/2.1=2, 379/2.1=2...(4) Peak 372 from cnoeabs.peaks (3.94, 0.91, 23.00 ppm; 2.58 A): 3 out of 7 assignments used, quality = 0.79: * HA LEU 29 + QD2 LEU 29 OK 72 100 - 72 - 4.0=26, 3.0/371=12...(18) HA LYS 86 + QD2 LEU 29 OK 14 89 - 16 - 3.0/8875=6, 380/2.1=3...(5) HD3 PRO 129 + QD2 LEU 29 OK 14 100 - 14 - 380/2.1=3, 364/2.1=3...(6) HA2 GLY 143 - QD2 LEU 29 lone 3 92 - 3 - HA LYS 48 - QD2 LEU 29 lone 2 77 - 3 - HA3 GLY 94 - QD2 LEU 29 lone 2 62 - 2 - HA ALA 60 - QD2 LEU 29 lone 1 62 - 2 - Peak 373 from cnoeabs.peaks (1.52, 0.91, 23.00 ppm; 2.98 A): 3 out of 9 assignments used, quality = 0.99: * HB2 LEU 29 + QD2 LEU 29 OK 96 100 - 96 - 3.2=84, 2.9/372=18...(20) HG3 LYS 76 + QD2 LEU 29 OK 64 100 - 64 - 1.8/8074=15, ~8075=8...(28) HD2 LYS 76 + QD2 LEU 29 OK 52 94 - 55 - 3.0/8074=11, 381/2.1=5...(26) QB ALA 135 - QD2 LEU 29 OK 25 100 - 25 - 381/2.1=3, 9655/2.1=3...(10) HG3 LYS 85 - QD2 LEU 29 OK 22 99 - 22 - ~10042=6, 10043/2.1=3...(6) HG3 PRO 57 - QD2 LEU 29 OK 19 96 - 20 - 2.3/10842=3, 381/2.1=2...(8) HG2 LYS 93 - QD2 LEU 29 OK 12 100 - 12 - 3.0/10842=2, 381/2.1=1 HB2 LYS 123 - QD2 LEU 29 lone 5 92 - 5 - HB2 GLU 122 - QD2 LEU 29 lone 3 62 - 5 - Peak 374 from cnoeabs.peaks (1.49, 0.91, 23.00 ppm; 2.90 A): 2 out of 5 assignments used, quality = 0.96: * HB3 LEU 29 + QD2 LEU 29 OK 94 100 - 94 - 3.2=77, 2.9/372=17...(21) HD3 LYS 114 + QD2 LEU 29 OK 33 98 - 34 - 382/2.1=5, 366/2.1=4...(17) QB ALA 134 - QD2 LEU 29 OK 29 92 - 32 - 2.9/10834=5, 382/2.1=5...(15) HG13 ILE 101 - QD2 LEU 29 OK 17 100 - 17 - 382/2.1=3, 366/2.1=2...(5) HG2 LYS 34 - QD2 LEU 29 poor 9 77 - 11 - 4.0/10537=2, 382/2.1=1 Peak 375 from cnoeabs.peaks (2.16, 0.91, 23.00 ppm; 2.78 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 HB2 GLN 25 + QD2 LEU 29 OK 48 89 - 54 - 2.9/10532=12, 4.4/8073=6...(21) HB3 GLN 133 - QD2 LEU 29 OK 32 72 - 44 - 383/2.1=5, 2.9/8066=4...(22) HB2 GLN 133 - QD2 LEU 29 OK 30 68 - 44 - 383/2.1=4, 2.9/8066=4...(21) Peak 376 from cnoeabs.peaks (0.91, 0.91, 23.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 377 from cnoeabs.peaks (0.96, 0.91, 23.00 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 QG2 THR 51 - QD2 LEU 29 OK 28 100 - 28 - 369/2.1=4, 2.1/8059=4...(11) HG3 ARG 35 - QD2 LEU 29 OK 25 100 - 25 - 369/2.1=4, 361/3.2=3...(12) Peak 378 from cnoeabs.peaks (7.31, 0.91, 23.00 ppm; 3.71 A): 3 out of 3 assignments used, quality = 0.96: * H ASP 30 + QD2 LEU 29 OK 85 100 - 85 - 4.8=47, 3.6/372=22...(11) QD TYR 115 + QD2 LEU 29 OK 50 100 - 50 - 2.2/9356=10, 386/2.1=8...(13) H ARG 35 + QD2 LEU 29 OK 44 100 - 44 - 6188/2.1=10, 362/3.2=6...(10) Peak 379 from cnoeabs.peaks (6.91, 0.96, 25.10 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.95: * H LEU 29 + QD1 LEU 29 OK 95 100 - 96 - 4.6=57, 371/2.1=31...(14) HE21 GLN 22 - QD1 LEU 29 OK 33 85 - 39 - 371/2.1=9, 363/2.1=9...(7) HD2 HIS 14 - QD1 LEU 29 poor 10 72 - 13 - 10594/10601=3, 371/2.1=2...(6) Peak 380 from cnoeabs.peaks (3.94, 0.96, 25.10 ppm; 3.73 A): 1 out of 7 assignments used, quality = 0.98: * HA LEU 29 + QD1 LEU 29 OK 98 100 - 98 - 4.0=80, 372/2.1=31...(19) HA LYS 86 - QD1 LEU 29 OK 35 89 - 39 - 380=8, ~8875=7...(10) HD3 PRO 129 - QD1 LEU 29 OK 32 100 - 33 - 380=8, 364/2.1=6...(6) HA LYS 48 - QD1 LEU 29 poor 8 77 - 11 - 3.6/10670=2, 4.8/10658=2...(4) HA2 GLY 143 - QD1 LEU 29 lone 7 92 - 8 - 364/2.1=1, 372/2.1=1 HA3 GLY 94 - QD1 LEU 29 lone 4 62 - 6 - 380=1 HA ALA 60 - QD1 LEU 29 lone 3 62 - 5 - Peak 381 from cnoeabs.peaks (1.52, 0.96, 25.10 ppm; 3.07 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 99 100 - 99 - 3.1=96, 352/2.1=17...(20) HG3 LYS 76 + QD1 LEU 29 OK 70 100 - 70 - 1.8/8075=16, 381=11...(29) HD2 LYS 76 + QD1 LEU 29 OK 59 94 - 62 - 3.0/8075=12, 381=8...(26) QB ALA 135 - QD1 LEU 29 OK 30 100 - 30 - 381=4, 2.9/10835=3...(10) HG3 LYS 85 - QD1 LEU 29 OK 27 99 - 28 - ~10042=7, 381=4...(8) HG3 PRO 57 - QD1 LEU 29 OK 19 96 - 20 - 2.3/10843=3, 373/2.1=2...(7) HG2 LYS 93 - QD1 LEU 29 OK 14 100 - 14 - 381=2, 3.0/10843=2...(6) HB2 LYS 123 - QD1 LEU 29 lone 4 92 - 4 - HB2 GLU 122 - QD1 LEU 29 lone 4 62 - 6 - Peak 382 from cnoeabs.peaks (1.49, 0.96, 25.10 ppm; 3.06 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 29 + QD1 LEU 29 OK 99 100 - 99 - 3.1=95, 374/2.1=17...(24) HD3 LYS 114 - QD1 LEU 29 OK 39 98 - 41 - 382=8, 374/2.1=6...(16) QB ALA 134 - QD1 LEU 29 OK 35 92 - 39 - 382=7, 374/2.1=5...(17) HG13 ILE 101 - QD1 LEU 29 OK 22 100 - 22 - 382=4, 374/2.1=3...(7) HG2 LYS 34 - QD1 LEU 29 OK 10 77 - 13 - 4.0/8060=3, 374/2.1=2, 366/2.1=1 Peak 383 from cnoeabs.peaks (2.16, 0.96, 25.10 ppm; 3.16 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 HB2 GLN 25 + QD1 LEU 29 OK 55 89 - 61 - 2.9/9778=11, 375/2.1=8...(22) HB3 GLN 133 - QD1 LEU 29 OK 39 72 - 55 - 383=9, 3.0/9616=9...(21) HB2 GLN 133 - QD1 LEU 29 OK 37 68 - 54 - 383=9, 3.0/9616=9...(21) Peak 384 from cnoeabs.peaks (0.91, 0.96, 25.10 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - QD1 LEU 29 OK 41 99 - 42 - 384=9, 4.4/8072=4...(17) QG1 VAL 63 - QD1 LEU 29 OK 24 92 - 26 - 384=4, 368/2.1=2...(10) QG2 VAL 63 - QD1 LEU 29 OK 19 77 - 25 - 2.1/384=4, 1805/2.1=2...(7) QG1 VAL 53 - QD1 LEU 29 OK 17 89 - 19 - 3.2/8060=2, 368/2.1=2...(6) HB2 LEU 108 - QD1 LEU 29 poor 9 68 - 13 - 384=3, 1.8/8075=1, 368/2.1=1 QG2 ILE 91 - QD1 LEU 29 lone 7 77 - 9 - Peak 385 from cnoeabs.peaks (0.96, 0.96, 25.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 Peak 386 from cnoeabs.peaks (7.31, 0.96, 25.10 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.98: * H ASP 30 + QD1 LEU 29 OK 81 100 - 81 - 6135=26, 378/2.1=20...(7) H ARG 35 + QD1 LEU 29 OK 67 100 - 67 - 6188=17, 378/2.1=10...(19) QD TYR 115 + QD1 LEU 29 OK 62 100 - 63 - 378/2.1=12, ~9356=10...(14) Peak 387 from cnoeabs.peaks (7.31, 4.39, 53.18 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 30 + HA ASP 30 OK 100 100 - 100 - 3.0=100 QD TYR 115 - HA ASP 30 OK 19 100 - 19 - 8170/10695=3, ~5663=3...(10) H ARG 35 - HA ASP 30 OK 12 100 - 12 - 4.5/10922=3, 10823/3.6=2...(5) Peak 388 from cnoeabs.peaks (4.39, 4.39, 53.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 30 + HA ASP 30 OK 100 100 - 100 Peak 389 from cnoeabs.peaks (2.98, 4.39, 53.18 ppm; 3.23 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 30 + HA ASP 30 OK 100 100 - 100 - 3.0=100 HB3 TYR 27 - HA ASP 30 OK 30 89 - 34 - 1.8/390=5, 399/3.0=4...(14) HA VAL 82 - HA ASP 30 lone 7 99 - 7 - ~9999=1, 6137/3.0=1 HA VAL 71 - HA ASP 30 lone 6 96 - 6 - 6137/3.0=2 HB3 ASN 128 - HA ASP 30 lone 5 94 - 5 - 6137/3.0=1 HB3 HIS 14 - HA ASP 30 lone 3 77 - 4 - Peak 390 from cnoeabs.peaks (3.07, 4.39, 53.18 ppm; 3.12 A): 1 out of 10 assignments used, quality = 1.00: * HB3 ASP 30 + HA ASP 30 OK 100 100 - 100 - 3.0=100 HB2 TYR 27 - HA ASP 30 OK 28 92 - 31 - 1.8/389=8, 293/3.0=5...(14) HE2 LYS 86 - HA ASP 30 OK 23 100 - 23 - 398=5, 1.8/398=4...(10) HE3 LYS 86 - HA ASP 30 OK 23 99 - 23 - 398=5, 1.8/398=4...(11) HE3 LYS 34 - HA ASP 30 lone 4 89 - 5 - 6138/3.0=1 HE2 LYS 34 - HA ASP 30 lone 4 72 - 5 - HD3 ARG 49 - HA ASP 30 lone 3 81 - 4 - HB3 TRP 88 - HA ASP 30 lone 2 100 - 2 - HA TYR 119 - HA ASP 30 lone 1 62 - 1 - HA2 GLY 78 - HA ASP 30 lone 1 72 - 1 - Peak 391 from cnoeabs.peaks (8.40, 4.39, 53.18 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 31 + HA ASP 30 OK 100 100 - 100 - 3.6=100 H TYR 117 - HA ASP 30 lone 9 100 - 9 - 6139/3.0=3...(3) H GLU 75 - HA ASP 30 lone 6 81 - 7 - 11473/3.0=2, 6139/3.0=2 H SER 103 - HA ASP 30 lone 3 100 - 3 - Peak 392 from cnoeabs.peaks (7.31, 2.98, 42.06 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 30 + HB2 ASP 30 OK 100 100 - 100 - 3.8=100 QD TYR 115 - HB2 ASP 30 lone 9 100 - 9 - 387/3.0=5, 10823/4.4=1 H ARG 35 - HB2 ASP 30 lone 9 100 - 9 - 387/3.0=3, 10823/4.4=2 Peak 393 from cnoeabs.peaks (4.39, 2.98, 42.06 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 30 + HB2 ASP 30 OK 100 100 - 100 - 3.0=100 HB THR 18 - HB2 ASP 30 lone 5 98 - 5 - 6142/4.4=1, 398/1.8=1 HA ASN 96 - HB2 ASP 30 lone 4 77 - 4 - 6142/4.4=1 Peak 394 from cnoeabs.peaks (2.98, 2.98, 42.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 30 + HB2 ASP 30 OK 100 100 - 100 Peak 395 from cnoeabs.peaks (3.07, 2.98, 42.06 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HB3 ASP 30 + HB2 ASP 30 OK 100 100 - 100 - 1.8=100 HB2 TYR 27 - HB2 ASP 30 OK 39 92 - 43 - 293=9, 3.0/286=5, ~399=4...(16) HE3 LYS 86 - HB2 ASP 30 OK 26 99 - 26 - 399=4, 1.8/399=4...(9) HE2 LYS 86 - HB2 ASP 30 OK 26 100 - 26 - 399=4, 398/3.0=4...(9) HD3 ARG 49 - HB2 ASP 30 lone 4 81 - 5 - HB3 TRP 88 - HB2 ASP 30 lone 4 100 - 4 - HE3 LYS 34 - HB2 ASP 30 lone 3 89 - 4 - HE2 LYS 34 - HB2 ASP 30 lone 3 72 - 4 - HA2 GLY 78 - HB2 ASP 30 lone 1 72 - 1 - HA TYR 119 - HB2 ASP 30 lone 1 62 - 1 - Peak 398 from cnoeabs.peaks (4.39, 3.07, 42.06 ppm; 3.74 A): 1 out of 12 assignments used, quality = 1.00: * HA ASP 30 + HB3 ASP 30 OK 100 100 - 100 - 3.0=100 HA ASP 30 - HE2 LYS 86 OK 28 88 - 32 - 390=6, 390/1.8=5...(11) HA ASP 30 - HE3 LYS 86 OK 27 85 - 32 - 390=6, 390/1.8=6...(11) HB THR 18 - HB3 ASP 30 lone 5 98 - 5 - 393/1.8=2, 6142/4.4=1 HA ASP 30 - HE3 LYS 34 lone 4 49 - 8 - 3.0/6138=2, 390=1 HA ASN 96 - HB3 ASP 30 lone 4 77 - 5 - 393/1.8=1, 6142/4.4=1 HA ASN 96 - HE2 LYS 86 lone 2 62 - 3 - ~7126=2 HA ASN 96 - HE3 LYS 86 lone 2 59 - 3 - ~7126=2 HB THR 18 - HE2 LYS 86 lone 1 83 - 1 - HB THR 18 - HE3 LYS 86 lone 0 80 - 1 - HB THR 18 - HE3 LYS 34 lone 0 45 - 0 - HA ASN 96 - HE3 LYS 34 lone 0 31 - 0 - Peak 399 from cnoeabs.peaks (2.98, 3.07, 42.06 ppm; 3.09 A): 1 out of 24 assignments used, quality = 1.00: * HB2 ASP 30 + HB3 ASP 30 OK 100 100 - 100 - 1.8=100 HB3 TYR 27 - HB3 ASP 30 OK 34 89 - 39 - 299=6, 389/3.0=5, ~293=5...(17) HB2 ASP 30 - HE2 LYS 86 OK 22 88 - 25 - 395=6, 395/1.8=4...(9) HB2 ASP 30 - HE3 LYS 86 OK 21 85 - 25 - 395=5, 395/1.8=4...(9) HB3 TYR 27 - HE2 LYS 86 OK 13 73 - 17 - 299=3, 299/1.8=2...(7) HB3 TYR 27 - HE3 LYS 86 OK 12 70 - 17 - 299=3, 299/1.8=2...(7) HA VAL 82 - HE2 LYS 86 lone 8 85 - 10 - 2476/3.0=3, 2471/3.9=1 HA VAL 82 - HE3 LYS 86 lone 8 82 - 10 - 2476/3.0=3, 2471/3.9=1 HA VAL 71 - HB3 ASP 30 lone 6 96 - 7 - 6137/3.8=1 HA VAL 82 - HB3 ASP 30 lone 6 99 - 6 - 389/3.0=1 HB3 ASN 128 - HB3 ASP 30 lone 6 94 - 6 - ~4338=1, ~4332=1 HB3 TYR 27 - HE3 LYS 34 poor 5 38 - 13 - 299=2, 299/1.8=1...(5) HB3 ASN 128 - HE2 LYS 86 lone 4 79 - 6 - 10272/4.9=2, 4.8/2748=1 HB3 ASN 128 - HE3 LYS 86 lone 4 75 - 6 - 10272/4.9=2, 4.8/2748=1 HB3 HIS 14 - HB3 ASP 30 lone 3 77 - 4 - HB2 ASP 30 - HE3 LYS 34 lone 2 49 - 4 - HA VAL 71 - HE2 LYS 86 lone 2 81 - 2 - HA VAL 71 - HE3 LYS 86 lone 2 78 - 2 - HA VAL 71 - HE3 LYS 34 lone 1 44 - 3 - HA VAL 82 - HE3 LYS 34 lone 1 46 - 1 - HB3 HIS 14 - HE2 LYS 86 lone 0 62 - 1 - HB3 ASN 128 - HE3 LYS 34 lone 0 42 - 1 - HB3 HIS 14 - HE3 LYS 86 lone 0 59 - 1 - HB3 HIS 14 - HE3 LYS 34 lone 0 31 - 1 - Peak 400 from cnoeabs.peaks (3.07, 3.07, 42.06 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB3 ASP 30 + HB3 ASP 30 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 86 86 - 100 HE3 LYS 86 + HE3 LYS 86 OK 82 82 - 100 HE3 LYS 34 - HE3 LYS 34 OK 38 38 - 100 Peak 402 from cnoeabs.peaks (8.40, 3.60, 44.61 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 31 + HA2 GLY 31 OK 100 100 - 100 - 3.0=100 H SER 103 - HA2 GLY 31 OK 24 100 - 24 - 406/1.8=10, 3.0/404=6...(5) H TYR 117 - HA2 GLY 31 lone 4 100 - 4 - 6149/3.5=2 H GLU 75 - HA2 GLY 31 lone 2 81 - 3 - Peak 403 from cnoeabs.peaks (3.60, 3.60, 44.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 31 + HA2 GLY 31 OK 100 100 - 100 Peak 404 from cnoeabs.peaks (4.47, 3.60, 44.61 ppm; 2.91 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 31 + HA2 GLY 31 OK 100 100 - 100 - 1.8=100 HA SER 103 - HA2 GLY 31 OK 17 100 - 18 - 6146/3.0=3, 3.0/402=3...(9) HA ASP 137 - HA2 GLY 31 lone 5 98 - 5 - 6151/3.5=1 HA ASP 41 - HA2 GLY 31 lone 2 92 - 2 - HA SER 44 - HA2 GLY 31 lone 1 100 - 1 - Peak 405 from cnoeabs.peaks (8.26, 3.60, 44.61 ppm; 4.20 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 32 + HA2 GLY 31 OK 100 100 - 100 - 3.5=100 H ALA 105 - HA2 GLY 31 OK 14 96 - 14 - 9209/1.8=8, 6147/3.0=5 H LEU 39 - HA2 GLY 31 lone 2 85 - 3 - 6147/3.0=1 H GLY 143 - HA2 GLY 31 lone 2 92 - 2 - 6147/3.0=1 H GLN 25 - HA2 GLY 31 lone 1 72 - 2 - Peak 406 from cnoeabs.peaks (8.40, 4.47, 44.61 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 31 + HA3 GLY 31 OK 100 100 - 100 - 3.0=100 H SER 103 - HA3 GLY 31 OK 40 100 - 40 - 402/1.8=7, 3.6/10186=5...(12) H TYR 117 - HA3 GLY 31 lone 4 100 - 4 - 6149/3.5=2, 402/1.8=1 H GLU 75 - HA3 GLY 31 lone 3 81 - 4 - Peak 407 from cnoeabs.peaks (3.60, 4.47, 44.61 ppm; 2.93 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 31 + HA3 GLY 31 OK 100 100 - 100 - 1.8=100 HA ARG 109 - HA3 GLY 31 lone 5 72 - 7 - ~3541=1, ~3531=1, 6145/3.0=1 Peak 408 from cnoeabs.peaks (4.47, 4.47, 44.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 31 + HA3 GLY 31 OK 100 100 - 100 Peak 409 from cnoeabs.peaks (8.26, 4.47, 44.61 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 32 + HA3 GLY 31 OK 100 100 - 100 - 3.5=100 H ALA 105 - HA3 GLY 31 OK 20 96 - 21 - 9209=8, 6147/3.0=4...(5) H GLY 143 - HA3 GLY 31 lone 2 92 - 2 - H LEU 39 - HA3 GLY 31 lone 2 85 - 2 - 6147/3.0=1 H GLN 25 - HA3 GLY 31 lone 1 72 - 2 - Peak 411 from cnoeabs.peaks (4.64, 4.64, 52.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 32 + HA ASP 32 OK 100 100 - 100 Peak 412 from cnoeabs.peaks (2.69, 4.64, 52.22 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 32 + HA ASP 32 OK 100 100 - 100 - 3.0=100 HB3 TYR 115 - HA ASP 32 OK 42 100 - 42 - ~10812=8, 6153/3.0=7...(14) HB3 ASP 13 - HA ASP 32 OK 21 92 - 23 - 3.8/11053=10, ~10812=5...(6) HB2 ASP 137 - HA ASP 32 OK 20 100 - 19 - 10351=3, 420/3.0=3...(9) HB3 ASP 16 - HA ASP 32 OK 16 99 - 16 - 160=4, 1.8/155=2...(6) HB2 PHE 43 - HA ASP 32 lone 9 94 - 10 - 420/3.0=2, 6153/3.0=1 Peak 413 from cnoeabs.peaks (2.89, 4.64, 52.22 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 32 + HA ASP 32 OK 100 100 - 100 - 3.0=100 HB2 TYR 119 - HA ASP 32 OK 18 96 - 18 - 6154/3.0=4, 417/3.0=4...(7) Peak 414 from cnoeabs.peaks (8.26, 2.69, 42.22 ppm; 3.48 A): 1 out of 5 assignments used, quality = 0.83: * H ASP 32 + HB2 ASP 32 OK 83 100 - 83 - 4.0=64, 6154/1.8=37...(6) H GLN 25 - HB2 ASP 32 poor 10 72 - 13 - 8084/4.8=4, 418/1.8=3...(6) H LEU 39 - HB2 ASP 32 lone 7 85 - 9 - 418/1.8=2, ~11169=1, 6252/9785=1 H GLY 143 - HB2 ASP 32 lone 4 92 - 4 - 418/1.8=1 H ALA 105 - HB2 ASP 32 lone 2 96 - 2 - Peak 415 from cnoeabs.peaks (4.64, 2.69, 42.22 ppm; 3.91 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 32 + HB2 ASP 32 OK 100 100 - 100 - 3.0=100 HG1 THR 110 - HB2 ASP 32 OK 17 100 - 17 - 419/1.8=4, ~9293=3...(7) HA LEU 87 - HB2 ASP 32 OK 17 100 - 17 - 419/1.8=4, 422/4.8=2...(9) HA GLN 111 - HB2 ASP 32 OK 16 100 - 16 - 419/1.8=3, 10178/10813=2...(6) HA ASN 139 - HB2 ASP 32 OK 13 92 - 14 - 419/1.8=3, 422/4.8=2...(5) Peak 416 from cnoeabs.peaks (2.69, 2.69, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 32 + HB2 ASP 32 OK 100 100 - 100 Peak 417 from cnoeabs.peaks (2.89, 2.69, 42.22 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 32 + HB2 ASP 32 OK 100 100 - 100 - 1.8=100 HB2 TYR 119 - HB2 ASP 32 OK 11 96 - 11 - 413/3.0=3, 6154/4.0=2...(6) Peak 418 from cnoeabs.peaks (8.26, 2.89, 42.22 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.81: * H ASP 32 + HB3 ASP 32 OK 81 100 - 81 - 4.0=67, 414/1.8=29...(5) H GLN 25 - HB3 ASP 32 poor 9 72 - 12 - 8084/4.8=4, 414/1.8=3...(5) H LEU 39 - HB3 ASP 32 lone 7 85 - 8 - 414/1.8=3, 3.3/11169=2 H GLY 143 - HB3 ASP 32 lone 4 92 - 4 - 414/1.8=1, 8083/4.8=1 H ALA 105 - HB3 ASP 32 lone 2 96 - 2 - Peak 419 from cnoeabs.peaks (4.64, 2.89, 42.22 ppm; 4.27 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 32 + HB3 ASP 32 OK 100 100 - 100 - 3.0=100 HG1 THR 110 - HB3 ASP 32 OK 19 100 - 19 - 415/1.8=4, ~9293=4...(8) HA LEU 87 - HB3 ASP 32 OK 18 100 - 18 - 415/1.8=4, 422/4.8=3...(9) HA GLN 111 - HB3 ASP 32 OK 18 100 - 18 - 415/1.8=4, 10178/9771=4...(6) HA ASN 139 - HB3 ASP 32 OK 14 92 - 15 - 415/1.8=4, 422/4.8=2...(7) Peak 420 from cnoeabs.peaks (2.69, 2.89, 42.22 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 32 + HB3 ASP 32 OK 100 100 - 100 - 1.8=100 HB3 TYR 115 - HB3 ASP 32 OK 22 100 - 23 - 412/3.0=5, 6153/4.0=3...(9) HB2 ASP 137 - HB3 ASP 32 lone 9 100 - 9 - 412/3.0=2, 6153/4.0=1, ~4660=1 HB3 ASP 16 - HB3 ASP 32 lone 9 99 - 9 - 160/3.0=2, 3.0/419=1, ~157=1 HB3 ASP 13 - HB3 ASP 32 lone 6 92 - 7 - 412/3.0=2, 6153/4.0=2 HB2 PHE 43 - HB3 ASP 32 lone 6 94 - 6 - 412/3.0=1 Peak 421 from cnoeabs.peaks (2.89, 2.89, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 32 + HB3 ASP 32 OK 100 100 - 100 Peak 422 from cnoeabs.peaks (4.64, 4.05, 51.07 ppm; 3.14 A): 5 out of 5 assignments used, quality = 0.92: * HA ASP 32 + HD2 PRO 33 OK 85 100 - 85 - 3.8=58, 425/1.8=28...(11) HG1 THR 110 + HD2 PRO 33 OK 16 100 - 16 - 424/1.8=4, 10810/2.3=3...(5) HA LEU 87 + HD2 PRO 33 OK 14 100 - 14 - 424/1.8=3, 10525/2.3=3...(5) HA GLN 111 + HD2 PRO 33 OK 13 100 - 13 - 424/1.8=3, 10810/2.3=2...(6) HA ASN 139 + HD2 PRO 33 OK 11 92 - 11 - 424/1.8=3, 10358/2.3=2...(4) Peak 423 from cnoeabs.peaks (4.05, 4.64, 52.22 ppm; 2.91 A): 3 out of 4 assignments used, quality = 0.82: * HD2 PRO 33 + HA ASP 32 OK 77 100 - 77 - 3.8=46, 1.8/425=25...(11) HA GLN 25 + HA ASP 32 OK 13 89 - 14 - 439/3.8=4, 8085/3.0=2...(6) HD3 PRO 118 + HA ASP 32 OK 10 72 - 14 - 439/3.8=3, 425=2...(5) HA LYS 24 - HA ASP 32 lone 7 92 - 8 - 439/3.8=2, 447/4.8=1, 8085/3.0=1 Peak 424 from cnoeabs.peaks (4.64, 4.09, 51.07 ppm; 3.12 A): 4 out of 5 assignments used, quality = 0.90: * HA ASP 32 + HD3 PRO 33 OK 85 100 - 85 - 3.8=57, 423/1.8=27...(12) HG1 THR 110 + HD3 PRO 33 OK 16 100 - 16 - 422/1.8=4, 10810/2.3=3...(5) HA LEU 87 + HD3 PRO 33 OK 14 100 - 14 - 422/1.8=3, 10525/2.3=3...(6) HA GLN 111 + HD3 PRO 33 OK 12 100 - 11 - 422/1.8=3, 10810/2.3=2...(5) HA ASN 139 - HD3 PRO 33 poor 10 92 - 11 - 422/1.8=3, 10358/2.3=2...(4) Peak 425 from cnoeabs.peaks (4.09, 4.64, 52.22 ppm; 2.92 A): 2 out of 5 assignments used, quality = 0.80: * HD3 PRO 33 + HA ASP 32 OK 78 100 - 78 - 3.8=46, 1.8/423=24...(12) HA PRO 52 + HA ASP 32 OK 11 99 - 11 - 432/3.8=4, 448/4.8=2 HB THR 110 - HA ASP 32 lone 7 72 - 10 - 2.1/9293=4 HA VAL 53 - HA ASP 32 lone 6 68 - 8 - ~10806=2, 432/3.8=2 HA THR 99 - HA ASP 32 lone 2 89 - 2 - Peak 426 from cnoeabs.peaks (4.41, 4.05, 51.07 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD2 PRO 33 OK 71 100 - 71 - 474/2.3=17, 466/2.3=17...(14) HA ASP 40 - HD2 PRO 33 lone 6 68 - 9 - 434/1.8=1, 10526/3.8=1...(4) Peak 427 from cnoeabs.peaks (2.04, 4.05, 51.07 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 3.0=100 HB3 LYS 34 + HD2 PRO 33 OK 78 92 - 85 - 4.1/6161=13, 475/2.3=12...(40) HB2 PRO 52 - HD2 PRO 33 OK 40 62 - 64 - 2.3/432=10, ~1357=6...(34) HG2 PRO 98 - HD2 PRO 33 OK 21 96 - 21 - 435/1.8=3, 475/2.3=3...(7) HB2 GLU 90 - HD2 PRO 33 lone 5 72 - 6 - 6165/6161=1 Peak 428 from cnoeabs.peaks (2.43, 4.05, 51.07 ppm; 4.58 A): 5 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 3.0=100 HG2 MET 11 + HD2 PRO 33 OK 70 96 - 73 - 476/2.3=8, 468/2.3=8...(29) HG2 MET 68 + HD2 PRO 33 OK 69 99 - 70 - ~1980=9, 476/2.3=8...(26) HG3 GLN 47 + HD2 PRO 33 OK 50 89 - 56 - ~10678=6, 436/1.8=6...(26) HG2 GLN 47 + HD2 PRO 33 OK 50 89 - 56 - ~10678=6, 436/1.8=6...(26) HG3 GLU 131 - HD2 PRO 33 OK 39 94 - 42 - 476/2.3=5, 468/2.3=5...(19) HG2 GLN 133 - HD2 PRO 33 poor 9 72 - 13 - 10680/1.8=1, ~10680=1 HG3 GLN 133 - HD2 PRO 33 poor 9 68 - 12 - 10680/1.8=1, ~10680=1 Peak 429 from cnoeabs.peaks (2.10, 4.05, 51.07 ppm; 3.10 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HD2 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HD2 PRO 33 OK 65 99 - 65 - 211=11, 1.8/203=9...(30) HG2 PRO 118 - HD2 PRO 33 OK 43 72 - 59 - 2.3/432=7, ~3975=4...(32) HB3 LYS 36 - HD2 PRO 33 OK 31 89 - 34 - 10791/3.6=8, 3.0/10789=6...(14) HB VAL 53 - HD2 PRO 33 OK 25 100 - 25 - 3.0/432=2, 437/1.8=2...(14) HB3 GLU 142 - HD2 PRO 33 OK 16 100 - 16 - 10380/3.8=3, 4851/4.8=2...(5) HB2 GLU 131 - HD2 PRO 33 OK 14 72 - 20 - ~4449=2, 4445/3.0=2...(8) Peak 430 from cnoeabs.peaks (2.09, 4.05, 51.07 ppm; 3.10 A): 4 out of 11 assignments used, quality = 1.00: * HG3 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HD2 PRO 33 OK 81 81 - 100 - 2.3=100 HG2 PRO 118 + HD2 PRO 33 OK 61 100 - 61 - 2.3/432=7, 438/1.8=5...(32) HB3 GLN 25 + HD2 PRO 33 OK 61 94 - 65 - 211=10, 1.8/203=9...(31) HB3 LYS 36 - HD2 PRO 33 OK 37 100 - 37 - 10791/3.6=10...(14) HB2 GLU 131 - HD2 PRO 33 OK 22 100 - 22 - 4445/3.0=3, 438/1.8=2...(10) HB VAL 53 - HD2 PRO 33 OK 21 89 - 24 - 3.0/432=2, ~1398=2...(11) HB2 PRO 129 - HD2 PRO 33 OK 16 77 - 20 - ~10525=3, 2.3/422=3...(6) HB3 GLU 142 - HD2 PRO 33 OK 14 92 - 15 - 10380/3.8=3, 4851/4.8=2...(5) HG2 GLU 122 - HD2 PRO 33 OK 10 81 - 12 - ~10997=1, ~10994=1...(4) HB3 LYS 61 - HD2 PRO 33 poor 7 62 - 11 - 4.8/9787=3, 4.8/9787=2 Peak 431 from cnoeabs.peaks (4.05, 4.05, 51.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 33 + HD2 PRO 33 OK 100 100 - 100 Peak 432 from cnoeabs.peaks (4.09, 4.05, 51.07 ppm; 2.72 A): 1 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 1.8=100 HA PRO 52 - HD2 PRO 33 OK 39 99 - 39 - 480/2.3=6, 472/2.3=6...(17) HA VAL 53 - HD2 PRO 33 OK 15 68 - 22 - 472/2.3=3, 480/2.3=3...(8) HB THR 110 - HD2 PRO 33 poor 9 72 - 12 - 2.8/422=2, 472/2.3=1...(5) HA THR 99 - HD2 PRO 33 lone 4 89 - 4 - Peak 433 from cnoeabs.peaks (8.89, 4.05, 51.07 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.97: * H LYS 34 + HD2 PRO 33 OK 93 100 - 93 - 6162/1.8=34, 473/2.3=29...(17) H ASN 84 + HD2 PRO 33 OK 52 98 - 53 - 441/1.8=12, 481/2.3=12...(10) Peak 434 from cnoeabs.peaks (4.41, 4.09, 51.07 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD3 PRO 33 OK 73 100 - 73 - 474/2.3=17, 466/2.3=17...(14) HA ASP 40 - HD3 PRO 33 lone 6 68 - 9 - 426/1.8=2, 10526/3.8=2...(4) Peak 435 from cnoeabs.peaks (2.04, 4.09, 51.07 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 3.0=100 HB3 LYS 34 + HD3 PRO 33 OK 79 92 - 86 - 4.1/6162=16, 475/2.3=12...(40) HB2 PRO 52 - HD3 PRO 33 OK 41 62 - 66 - 1.8/1357=9, 427/1.8=6...(32) HG2 PRO 98 - HD3 PRO 33 OK 22 96 - 23 - 427/1.8=3, 475/2.3=2...(8) HB2 GLU 90 - HD3 PRO 33 lone 5 72 - 6 - 6165/6162=1 Peak 436 from cnoeabs.peaks (2.43, 4.09, 51.07 ppm; 4.19 A): 5 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 3.0=100 HG2 MET 11 + HD3 PRO 33 OK 64 96 - 67 - 468/2.3=8, 476/2.3=8...(29) HG2 MET 68 + HD3 PRO 33 OK 64 99 - 65 - 468/2.3=8, 476/2.3=8...(25) HG3 GLN 47 + HD3 PRO 33 OK 49 89 - 55 - 3.6/8174=6, 10680=6...(19) HG2 GLN 47 + HD3 PRO 33 OK 49 89 - 55 - 3.6/8174=6, 10680=6...(19) HG3 GLU 131 - HD3 PRO 33 OK 35 94 - 36 - 476/2.3=5, 468/2.3=4...(16) HG2 GLN 133 - HD3 PRO 33 poor 9 72 - 12 - 10680=1, 1.8/10680=1 HG3 GLN 133 - HD3 PRO 33 poor 8 68 - 12 - 1.8/10680=1, 10680=1 Peak 437 from cnoeabs.peaks (2.10, 4.09, 51.07 ppm; 3.10 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HD3 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HD3 PRO 33 OK 59 99 - 60 - 211/1.8=11, ~203=7...(27) HG2 PRO 118 - HD3 PRO 33 OK 43 72 - 60 - 2.3/439=6, 1.8/3978=5...(33) HB3 LYS 36 - HD3 PRO 33 OK 28 89 - 32 - 10791/3.6=8, ~10789=4...(14) HB VAL 53 - HD3 PRO 33 OK 25 100 - 25 - 3.9/6491=3, 429/1.8=2...(14) HB3 GLU 142 - HD3 PRO 33 OK 16 100 - 16 - 10380/3.8=3, 4851/4.8=2...(5) HB2 GLU 131 - HD3 PRO 33 OK 14 72 - 19 - ~4449=2, 4445/3.0=2...(8) Peak 438 from cnoeabs.peaks (2.09, 4.09, 51.07 ppm; 3.10 A): 4 out of 11 assignments used, quality = 1.00: * HG3 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HD3 PRO 33 OK 81 81 - 100 - 2.3=100 HG2 PRO 118 + HD3 PRO 33 OK 62 100 - 63 - 2.3/439=6, 3970/1.8=5...(33) HB3 GLN 25 + HD3 PRO 33 OK 56 94 - 59 - 211/1.8=10, ~203=7...(28) HB3 LYS 36 - HD3 PRO 33 OK 34 100 - 34 - 10791/3.6=10, ~10789=4...(14) HB2 GLU 131 - HD3 PRO 33 OK 21 100 - 21 - 4445/3.0=3, 430/1.8=2...(10) HB VAL 53 - HD3 PRO 33 OK 21 89 - 23 - 3.9/6491=3, ~1398=2...(11) HB2 PRO 129 - HD3 PRO 33 OK 15 77 - 19 - ~10525=3, 2.3/424=3...(6) HB3 GLU 142 - HD3 PRO 33 OK 14 92 - 15 - 10380/3.8=3, 4851/4.8=2...(5) HG2 GLU 122 - HD3 PRO 33 OK 10 81 - 13 - ~10997=1, ~10994=1...(4) HB3 LYS 61 - HD3 PRO 33 lone 6 62 - 10 - 4.8/9789=2, 4.8/9789=1 Peak 439 from cnoeabs.peaks (4.05, 4.09, 51.07 ppm; 2.73 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 1.8=100 HA GLN 25 - HD3 PRO 33 OK 38 89 - 43 - 471/2.3=6, 479/2.3=6...(21) HD3 PRO 118 - HD3 PRO 33 OK 34 72 - 47 - 479/2.3=5, 471/2.3=5...(26) HA LYS 24 - HD3 PRO 33 OK 17 92 - 19 - 471/2.3=2, 479/2.3=2...(10) Peak 440 from cnoeabs.peaks (4.09, 4.09, 51.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 33 + HD3 PRO 33 OK 100 100 - 100 Peak 441 from cnoeabs.peaks (8.89, 4.09, 51.07 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 34 + HD3 PRO 33 OK 95 100 - 95 - 6162=35, 473/2.3=32...(17) H ASN 84 + HD3 PRO 33 OK 55 98 - 56 - 433/1.8=15, 481/2.3=13...(8) Peak 442 from cnoeabs.peaks (4.41, 4.41, 64.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 33 + HA PRO 33 OK 100 100 - 100 Peak 443 from cnoeabs.peaks (2.04, 4.41, 64.61 ppm; 2.93 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 33 + HA PRO 33 OK 100 100 - 100 - 2.3=100 HB3 LYS 34 + HA PRO 33 OK 58 92 - 63 - 4.1/6156=10, 450=9...(27) HB2 PRO 52 - HA PRO 33 OK 21 62 - 33 - 2.3/448=5, 459/2.3=3...(15) HG2 PRO 98 - HA PRO 33 OK 15 96 - 15 - 6157/3.6=2, 459/2.3=2...(6) HB2 GLU 90 - HA PRO 33 lone 4 72 - 5 - 6165/3.6=2 Peak 444 from cnoeabs.peaks (2.43, 4.41, 64.61 ppm; 2.84 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HA PRO 33 OK 100 100 - 100 - 2.3=100 HG2 MET 68 - HA PRO 33 OK 41 99 - 42 - 458=8, ~1980=4...(17) HG2 MET 11 - HA PRO 33 OK 41 96 - 43 - 458=6, 452/2.3=4, ~39=4...(19) HG3 GLN 47 - HA PRO 33 OK 15 89 - 16 - ~10678=2, 452/2.3=2...(9) HG2 GLN 47 - HA PRO 33 OK 15 89 - 16 - ~10678=2, 452/2.3=2...(9) HG3 GLU 131 - HA PRO 33 OK 11 94 - 12 - 452/2.3=2, 476/3.8=2...(6) HG2 GLN 133 - HA PRO 33 lone 2 72 - 3 - HG3 GLN 133 - HA PRO 33 lone 2 68 - 3 - Peak 445 from cnoeabs.peaks (2.10, 4.41, 64.61 ppm; 3.13 A): 4 out of 8 assignments used, quality = 0.94: * HG2 PRO 33 + HA PRO 33 OK 72 100 - 72 - 3.8=54, 1.8/474=19...(5) HG3 PRO 33 + HA PRO 33 OK 56 81 - 69 - 3.8=54, 1.8/466=19...(4) HB3 LYS 36 + HA PRO 33 OK 36 89 - 40 - 10791=13, 1.8/10790=8...(11) HB3 GLN 25 + HA PRO 33 OK 29 99 - 29 - 211/3.6=7, 2.9/447=4...(11) HG2 PRO 118 - HA PRO 33 OK 21 72 - 29 - 2.3/448=5, 453/2.3=3...(14) HB VAL 53 - HA PRO 33 OK 13 100 - 13 - 3.0/448=2, 6159/3.6=2...(6) HB3 GLU 142 - HA PRO 33 lone 8 100 - 8 - 10380/4.8=2 HB2 GLU 131 - HA PRO 33 lone 7 72 - 10 - 4445/2.3=2, 2.9/444=1...(4) Peak 446 from cnoeabs.peaks (2.09, 4.41, 64.61 ppm; 3.13 A): 4 out of 11 assignments used, quality = 0.95: * HG3 PRO 33 + HA PRO 33 OK 71 100 - 71 - 3.8=54, 1.8/466=19...(6) HG2 PRO 33 + HA PRO 33 OK 57 81 - 70 - 3.8=54, 1.8/474=19...(4) HB3 LYS 36 + HA PRO 33 OK 43 100 - 43 - 10791=16, 1.8/10790=8...(11) HG2 PRO 118 + HA PRO 33 OK 33 100 - 33 - 2.3/448=5, 3970/3.6=4...(14) HB3 GLN 25 - HA PRO 33 OK 26 94 - 28 - 211/3.6=7, 2.9/447=4...(11) HB2 GLU 131 - HA PRO 33 OK 12 100 - 12 - 4445/2.3=3, 2.9/444=1...(6) HB VAL 53 - HA PRO 33 OK 10 89 - 11 - 3.0/448=2, 6159/3.6=1...(5) HB3 GLU 142 - HA PRO 33 lone 6 92 - 7 - 10380/4.8=2 HB2 PRO 129 - HA PRO 33 lone 5 77 - 7 - 2.3/9791=1 HG2 GLU 122 - HA PRO 33 lone 4 81 - 5 - HB3 LYS 61 - HA PRO 33 lone 3 62 - 4 - Peak 447 from cnoeabs.peaks (4.05, 4.41, 64.61 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HA PRO 33 OK 100 100 - 100 - 3.6=100 HA GLN 25 - HA PRO 33 OK 40 89 - 45 - 471/3.8=7, 479/3.8=7...(17) HD3 PRO 118 - HA PRO 33 OK 37 72 - 51 - 479/3.8=6, 455/2.3=6...(20) HA LYS 24 - HA PRO 33 OK 28 92 - 30 - 6161/3.6=5, 3.0/9790=3...(10) Peak 448 from cnoeabs.peaks (4.09, 4.41, 64.61 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HA PRO 33 OK 100 100 - 100 - 3.6=100 HA PRO 52 + HA PRO 33 OK 45 99 - 46 - 456/2.3=9, 464/2.3=8...(12) HA VAL 53 - HA PRO 33 OK 17 68 - 25 - 472/3.8=3, 456/2.3=3...(9) HB THR 110 - HA PRO 33 poor 8 72 - 11 - 432/3.6=2, 456/2.3=2...(6) HA THR 99 - HA PRO 33 lone 7 89 - 7 - 456/2.3=1, 464/2.3=1 Peak 449 from cnoeabs.peaks (8.89, 4.41, 64.61 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 34 + HA PRO 33 OK 100 100 - 100 - 3.6=100 H ASN 84 - HA PRO 33 OK 39 98 - 39 - 433/3.6=9, 441/3.6=8...(6) Peak 450 from cnoeabs.peaks (4.41, 2.04, 32.01 ppm; 2.96 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 2.3=100 HA PRO 57 + HB2 PRO 33 OK 51 100 - 51 - 474/2.3=9, 466/2.3=9...(16) HA PRO 33 - HB3 LYS 34 OK 39 60 - 66 - 443=15, 6156/4.1=10...(27) HA PRO 57 - HB3 LYS 34 OK 13 59 - 22 - 6156/4.1=3, 1509/2.9=2...(11) HA ASP 40 - HB2 PRO 33 lone 3 68 - 4 - HA ASP 40 - HB3 LYS 34 lone 0 33 - 1 - Peak 451 from cnoeabs.peaks (2.04, 2.04, 32.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 33 + HB2 PRO 33 OK 100 100 - 100 HB3 LYS 34 + HB3 LYS 34 OK 50 50 - 100 Peak 452 from cnoeabs.peaks (2.43, 2.04, 32.01 ppm; 2.51 A): 1 out of 16 assignments used, quality = 1.00: * HB3 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 1.8=100 HB3 PRO 33 - HB3 LYS 34 OK 39 60 - 65 - 459=10, 2.3/475=7...(33) HG2 MET 68 - HB2 PRO 33 OK 38 99 - 38 - 459=6, 444/2.3=4...(15) HG2 MET 11 - HB2 PRO 33 OK 37 96 - 39 - 459=4, 444/2.3=4, ~39=3...(19) HG3 GLN 47 - HB2 PRO 33 OK 20 89 - 22 - 3.0/10678=2, 468/2.3=2...(6) HG2 GLN 47 - HB2 PRO 33 OK 20 89 - 22 - 3.0/10678=2, 468/2.3=2...(6) HG2 MET 11 - HB3 LYS 34 OK 15 54 - 28 - ~38=3, 459=3, 32/1.8=2...(11) HG3 GLU 131 - HB2 PRO 33 OK 15 94 - 15 - 476/2.3=2, 468/2.3=2, 444/2.3=1 HG2 MET 68 - HB3 LYS 34 lone 3 57 - 5 - HG2 GLN 133 - HB2 PRO 33 lone 3 72 - 4 - HG3 GLN 133 - HB2 PRO 33 lone 3 68 - 4 - HG3 GLU 131 - HB3 LYS 34 lone 2 52 - 4 - HG2 GLN 47 - HB3 LYS 34 lone 2 47 - 4 - HG3 GLN 47 - HB3 LYS 34 lone 2 47 - 4 - HG2 GLN 133 - HB3 LYS 34 lone 1 36 - 2 - HG3 GLN 133 - HB3 LYS 34 lone 1 33 - 2 - Peak 453 from cnoeabs.peaks (2.10, 2.04, 32.01 ppm; 2.50 A): 2 out of 16 assignments used, quality = 1.00: * HG2 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HB2 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 - HB2 PRO 33 OK 39 99 - 39 - 211/3.0=5, 461/1.8=3...(27) HG2 PRO 33 - HB3 LYS 34 OK 38 60 - 64 - 467=14, 1.8/475=9...(28) HG2 PRO 118 - HB2 PRO 33 OK 29 72 - 40 - 2.3/456=3, ~3975=3...(26) HG3 PRO 33 - HB3 LYS 34 OK 26 42 - 62 - 475=10, 1.8/467=9...(29) HB3 LYS 36 - HB2 PRO 33 OK 23 89 - 26 - 10791/2.3=7, ~10790=3...(9) HB VAL 53 - HB2 PRO 33 OK 15 100 - 15 - 3.0/456=1, 461/1.8=1...(7) HB2 GLU 131 - HB2 PRO 33 poor 9 72 - 13 - 4445/1.8=2 HB3 GLU 142 - HB2 PRO 33 lone 7 100 - 7 - HB VAL 53 - HB3 LYS 34 poor 6 59 - 10 - 10581/3.0=3 HG2 PRO 118 - HB3 LYS 34 poor 5 36 - 13 - ~10581=2 HB3 GLN 25 - HB3 LYS 34 lone 3 57 - 5 - HB3 LYS 36 - HB3 LYS 34 lone 2 47 - 5 - 10784/4.6=2, 6159/4.1=1 HB2 GLU 131 - HB3 LYS 34 lone 1 36 - 3 - HB3 GLU 142 - HB3 LYS 34 lone 1 58 - 1 - Peak 454 from cnoeabs.peaks (2.09, 2.04, 32.01 ppm; 2.50 A): 2 out of 22 assignments used, quality = 1.00: * HG3 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HB2 PRO 33 OK 81 81 - 100 - 2.3=100 HG2 PRO 118 - HB2 PRO 33 OK 41 100 - 41 - 2.3/456=3, ~3975=3...(26) HG3 PRO 33 - HB3 LYS 34 OK 39 60 - 65 - 475=14, 1.8/467=9...(29) HB3 GLN 25 - HB2 PRO 33 OK 36 94 - 38 - 211/3.0=5, ~203=3...(27) HB3 LYS 36 - HB2 PRO 33 OK 27 100 - 27 - 10791/2.3=8, ~10790=3...(10) HG2 PRO 33 - HB3 LYS 34 OK 25 42 - 60 - 467=10, 1.8/475=9...(28) HB2 GLU 131 - HB2 PRO 33 OK 14 100 - 14 - 4445/1.8=3 HB VAL 53 - HB2 PRO 33 OK 12 89 - 13 - 3.0/456=1, ~1398=1, ~1393=1 HB2 PRO 129 - HB2 PRO 33 poor 8 77 - 11 - ~10525=2 HG2 PRO 118 - HB3 LYS 34 poor 8 59 - 14 - ~10581=2, 3970/3.0=1 HG2 GLU 122 - HB2 PRO 33 lone 6 81 - 8 - HB3 GLU 142 - HB2 PRO 33 lone 6 92 - 7 - HB VAL 53 - HB3 LYS 34 lone 4 47 - 9 - 10581/3.0=2 HB3 LYS 36 - HB3 LYS 34 lone 4 59 - 6 - 10784/4.6=2, 6160/4.1=1 HG2 GLU 122 - HB3 LYS 34 lone 3 42 - 8 - HB3 LYS 61 - HB3 LYS 34 lone 3 30 - 9 - 1673/1.8=1 HB3 LYS 61 - HB2 PRO 33 lone 3 62 - 4 - HB3 GLN 25 - HB3 LYS 34 lone 2 52 - 4 - HB2 GLU 131 - HB3 LYS 34 lone 2 59 - 4 - HB2 PRO 129 - HB3 LYS 34 lone 1 39 - 1 - HB3 GLU 142 - HB3 LYS 34 lone 0 50 - 1 - Peak 455 from cnoeabs.peaks (4.05, 2.04, 32.01 ppm; 3.36 A): 4 out of 8 assignments used, quality = 1.00: * HD2 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 3.0=100 HA GLN 25 + HB2 PRO 33 OK 52 89 - 59 - 471/2.3=9, 479/2.3=8...(33) HD2 PRO 33 + HB3 LYS 34 OK 49 60 - 82 - 427=13, 2.3/475=12...(34) HD3 PRO 118 + HB2 PRO 33 OK 49 72 - 67 - 479/2.3=8, 471/2.3=7...(39) HA LYS 24 - HB2 PRO 33 OK 28 92 - 31 - 447/2.3=4, 479/2.3=4...(11) HA LYS 24 - HB3 LYS 34 OK 23 50 - 46 - 11319/2.9=6, 10872/3.4=5...(21) HD3 PRO 118 - HB3 LYS 34 OK 10 36 - 28 - ~10581=4, 6161/4.1=3...(11) HA GLN 25 - HB3 LYS 34 poor 5 47 - 12 - 6161/4.1=3, 4.8/485=2...(4) Peak 456 from cnoeabs.peaks (4.09, 2.04, 32.01 ppm; 3.30 A): 3 out of 10 assignments used, quality = 1.00: * HD3 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 3.0=100 HA PRO 52 + HB2 PRO 33 OK 56 99 - 57 - 480/2.3=8, 472/2.3=8...(25) HD3 PRO 33 + HB3 LYS 34 OK 48 60 - 81 - 6162/4.1=14, 435=13...(34) HA VAL 53 - HB2 PRO 33 OK 21 68 - 31 - 472/2.3=4, 480/2.3=4...(12) HB THR 110 - HB2 PRO 33 OK 11 72 - 15 - 472/2.3=2, 432/3.0=2...(8) HA THR 99 - HB2 PRO 33 lone 8 89 - 8 - HA VAL 53 - HB3 LYS 34 poor 5 33 - 16 - ~10581=3, 6162/4.1=2 HA PRO 52 - HB3 LYS 34 lone 5 57 - 9 - 6162/4.1=3, 480/475=1, 472/467=1 HA THR 99 - HB3 LYS 34 lone 2 47 - 4 - HB THR 110 - HB3 LYS 34 lone 1 36 - 2 - Peak 457 from cnoeabs.peaks (8.89, 2.04, 32.01 ppm; 3.87 A): 3 out of 4 assignments used, quality = 0.99: * H LYS 34 + HB2 PRO 33 OK 97 100 - 97 - 4.3=74, 6156/2.3=28...(15) H LYS 34 + HB3 LYS 34 OK 59 60 - 99 - 4.1=87, 6164/1.8=30...(35) H ASN 84 + HB2 PRO 33 OK 47 98 - 48 - 481/2.3=11, 473/2.3=11...(7) H ASN 84 - HB3 LYS 34 OK 21 56 - 38 - 515/2.9=8, 526/2.9=8...(12) Peak 458 from cnoeabs.peaks (4.41, 2.43, 32.01 ppm; 2.74 A): 1 out of 9 assignments used, quality = 1.00: * HA PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 2.3=100 HA PRO 57 - HB3 PRO 33 OK 45 100 - 45 - 474/2.3=8, 466/2.3=8...(16) HA PRO 33 - HG2 MET 68 OK 34 84 - 40 - 444=8, 2.3/452=4...(16) HA PRO 33 - HG2 MET 11 OK 26 64 - 42 - 444=8, 2.3/452=4, ~39=3...(19) HA PRO 57 - HG2 MET 68 lone 4 84 - 5 - HA ASP 40 - HG2 MET 68 lone 3 50 - 5 - ~8454=4 HA ASP 40 - HB3 PRO 33 lone 2 68 - 3 - HA PRO 57 - HG2 MET 11 lone 2 64 - 3 - HA ASP 40 - HG2 MET 11 lone 0 36 - 0 - Peak 459 from cnoeabs.peaks (2.04, 2.43, 32.01 ppm; 2.50 A): 2 out of 15 assignments used, quality = 1.00: * HB2 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 1.8=100 HB3 LYS 34 + HB3 PRO 33 OK 58 92 - 63 - 475/2.3=7, 467/2.3=7...(32) HB2 PRO 33 - HG2 MET 68 OK 32 84 - 38 - 452=6, 2.3/444=4...(15) HB2 PRO 33 - HG2 MET 11 OK 25 64 - 40 - 452=6, 2.3/444=4, ~39=3...(19) HB2 PRO 52 - HB3 PRO 33 OK 24 62 - 39 - 2.3/464=3, 467/2.3=3...(21) HB3 LYS 34 - HG2 MET 11 OK 15 53 - 28 - ~38=3, 452=3, ~38=2...(11) HG2 PRO 98 - HB3 PRO 33 OK 13 96 - 14 - 443/2.3=2, 475/2.3=1...(5) HB3 LYS 34 - HG2 MET 68 lone 4 72 - 5 - HB2 GLU 90 - HB3 PRO 33 lone 3 72 - 4 - 6165/4.3=1 HG2 PRO 98 - HG2 MET 11 lone 2 58 - 3 - HB2 PRO 52 - HG2 MET 11 lone 1 33 - 4 - HB2 GLU 90 - HG2 MET 11 lone 1 39 - 2 - HG2 PRO 98 - HG2 MET 68 lone 1 78 - 1 - HB2 PRO 52 - HG2 MET 68 lone 1 46 - 1 - HB2 GLU 90 - HG2 MET 68 lone 0 54 - 0 - Peak 460 from cnoeabs.peaks (2.43, 2.43, 32.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 33 + HB3 PRO 33 OK 100 100 - 100 HG2 MET 68 + HG2 MET 68 OK 81 81 - 100 HG2 MET 11 + HG2 MET 11 OK 58 58 - 100 Peak 461 from cnoeabs.peaks (2.10, 2.43, 32.01 ppm; 2.63 A): 2 out of 24 assignments used, quality = 1.00: * HG2 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HB3 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 - HB3 PRO 33 OK 44 99 - 44 - 211/3.0=6, 453/1.8=3...(29) HG2 PRO 118 - HB3 PRO 33 OK 32 72 - 44 - ~3975=3, 2.3/463=3...(31) HG2 PRO 33 - HG2 MET 68 OK 30 84 - 36 - 468=6, 1.8/476=4...(13) HB3 LYS 36 - HB3 PRO 33 OK 25 89 - 29 - 10791/2.3=7, ~10790=4...(15) HG2 PRO 33 - HG2 MET 11 OK 23 64 - 37 - 468=6, 1.8/476=4...(15) HG3 PRO 33 - HG2 MET 68 OK 21 62 - 34 - 1.8/468=4, 476=4...(13) HB VAL 53 - HB3 PRO 33 OK 18 100 - 18 - 453/1.8=1, ~1398=1...(7) HG3 PRO 33 - HG2 MET 11 OK 16 45 - 35 - 1.8/468=4, 476=4...(15) HB2 GLU 131 - HB3 PRO 33 OK 13 72 - 18 - 4445=2, 3.0/4436=2...(5) HB3 LYS 36 - HG2 MET 68 OK 11 69 - 16 - 679/2.9=2, 673/3.7=2 HB3 GLN 25 - HG2 MET 11 poor 10 61 - 16 - 214/1.8=3, ~10664=2...(5) HG2 PRO 118 - HG2 MET 68 poor 10 54 - 18 - ~1984=2, ~1960=1...(5) HB3 GLU 142 - HB3 PRO 33 lone 9 100 - 9 - HB3 LYS 36 - HG2 MET 11 lone 2 51 - 4 - HB3 GLN 25 - HG2 MET 68 lone 1 81 - 2 - HB2 GLU 131 - HG2 MET 11 lone 1 39 - 3 - HB2 GLU 131 - HG2 MET 68 lone 1 54 - 2 - HB VAL 53 - HG2 MET 68 lone 1 84 - 1 - HB3 GLU 142 - HG2 MET 11 lone 1 62 - 1 - HB3 GLU 142 - HG2 MET 68 lone 1 83 - 1 - HB VAL 53 - HG2 MET 11 lone 0 63 - 1 - HG2 PRO 118 - HG2 MET 11 lone 0 39 - 1 - Peak 462 from cnoeabs.peaks (2.09, 2.43, 32.01 ppm; 2.63 A): 3 out of 33 assignments used, quality = 1.00: * HG3 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HB3 PRO 33 OK 81 81 - 100 - 2.3=100 HG2 PRO 118 + HB3 PRO 33 OK 46 100 - 46 - 454/1.8=3, ~3975=3...(31) HB3 GLN 25 - HB3 PRO 33 OK 41 94 - 43 - 211/3.0=5, ~203=3...(29) HB3 LYS 36 - HB3 PRO 33 OK 30 100 - 30 - 10791/2.3=9, ~10790=4...(15) HG3 PRO 33 - HG2 MET 68 OK 30 84 - 36 - 476=6, 1.8/468=4...(13) HG3 PRO 33 - HG2 MET 11 OK 23 64 - 37 - 476=6, 1.8/468=4...(15) HG2 PRO 33 - HG2 MET 68 OK 21 62 - 34 - 1.8/476=4, 468=4...(13) HB2 GLU 131 - HB3 PRO 33 OK 20 100 - 20 - 4445=3, 3.0/4436=2...(7) HG2 PRO 33 - HG2 MET 11 OK 16 45 - 36 - 1.8/476=4, 468=4...(15) HG2 PRO 118 - HG2 MET 68 OK 16 84 - 19 - ~1984=2, 3969/3.7=1...(6) HB VAL 53 - HB3 PRO 33 OK 14 89 - 16 - ~1398=1, 3.0/464=1, ~1393=1 HB3 LYS 36 - HG2 MET 68 OK 14 84 - 17 - 679/2.9=3, 673/3.7=2 HB2 PRO 129 - HB3 PRO 33 OK 10 77 - 13 - ~10525=2 HB3 GLN 25 - HG2 MET 11 poor 9 56 - 16 - 214/1.8=3, ~10664=2...(5) HB3 GLU 142 - HB3 PRO 33 lone 8 92 - 8 - HG2 GLU 122 - HB3 PRO 33 lone 7 81 - 9 - HB3 LYS 61 - HG2 MET 11 poor 3 33 - 10 - ~38=1, ~44=1, ~8016=1...(5) HB3 LYS 61 - HB3 PRO 33 lone 3 62 - 5 - HB3 LYS 36 - HG2 MET 11 lone 3 63 - 4 - HB2 GLU 131 - HG2 MET 11 lone 2 63 - 3 - HB2 GLU 131 - HG2 MET 68 lone 2 84 - 2 - HG2 GLU 122 - HG2 MET 11 lone 2 45 - 3 - HB3 GLN 25 - HG2 MET 68 lone 1 75 - 2 - HG2 PRO 118 - HG2 MET 11 lone 1 63 - 2 - HB3 GLU 142 - HG2 MET 11 lone 1 53 - 1 - HB VAL 53 - HG2 MET 68 lone 1 69 - 1 - HB3 GLU 142 - HG2 MET 68 lone 0 72 - 1 - HB2 PRO 129 - HG2 MET 11 lone 0 42 - 1 - HB VAL 53 - HG2 MET 11 lone 0 51 - 1 - HB2 PRO 129 - HG2 MET 68 lone 0 58 - 0 - HG2 GLU 122 - HG2 MET 68 lone 0 62 - 0 - HB3 LYS 61 - HG2 MET 68 lone 0 46 - 0 - Peak 463 from cnoeabs.peaks (4.05, 2.43, 32.01 ppm; 3.44 A): 3 out of 12 assignments used, quality = 1.00: * HD2 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 3.0=100 HA GLN 25 + HB3 PRO 33 OK 55 89 - 62 - 471/2.3=9, 479/2.3=9...(33) HD3 PRO 118 + HB3 PRO 33 OK 50 72 - 70 - 479/2.3=8, 471/2.3=8...(38) HD2 PRO 33 - HG2 MET 68 OK 42 84 - 50 - 2.3/468=6, 2.3/476=6...(17) HD2 PRO 33 - HG2 MET 11 OK 33 64 - 52 - 2.3/468=6, 2.3/476=6...(21) HA LYS 24 - HB3 PRO 33 OK 32 92 - 35 - 4.0/10894=5, 447/2.3=4...(13) HD3 PRO 118 - HG2 MET 68 OK 18 54 - 32 - ~1984=3, ~1960=3...(17) HA GLN 25 - HG2 MET 11 OK 10 51 - 21 - 198/1.8=5, ~214=4...(7) HA LYS 24 - HG2 MET 68 lone 6 72 - 8 - 4.0/10894=1 HA LYS 24 - HG2 MET 11 lone 3 53 - 6 - 4.0/10894=1 HA GLN 25 - HG2 MET 68 lone 3 69 - 4 - HD3 PRO 118 - HG2 MET 11 lone 1 39 - 4 - Peak 464 from cnoeabs.peaks (4.09, 2.43, 32.01 ppm; 3.41 A): 2 out of 15 assignments used, quality = 1.00: * HD3 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 3.0=100 HA PRO 52 + HB3 PRO 33 OK 58 99 - 58 - 480/2.3=9, 472/2.3=9...(24) HD3 PRO 33 - HG2 MET 68 OK 41 84 - 49 - 2.3/468=6, 2.3/476=6...(17) HD3 PRO 33 - HG2 MET 11 OK 32 64 - 51 - 2.3/468=6, 2.3/476=6...(20) HA VAL 53 - HB3 PRO 33 OK 22 68 - 33 - 472/2.3=4, 480/2.3=4...(12) HB THR 110 - HB3 PRO 33 OK 11 72 - 15 - 472/2.3=2, 432/3.0=2...(8) HA THR 99 - HB3 PRO 33 lone 7 89 - 8 - 456/1.8=1, 448/2.3=1 HA PRO 52 - HG2 MET 11 lone 4 61 - 6 - HA PRO 52 - HG2 MET 68 lone 3 81 - 4 - HA THR 99 - HG2 MET 68 lone 2 69 - 3 - HA VAL 53 - HG2 MET 68 lone 1 50 - 2 - HB THR 110 - HG2 MET 11 lone 1 39 - 3 - HA THR 99 - HG2 MET 11 lone 1 51 - 2 - HB THR 110 - HG2 MET 68 lone 1 54 - 1 - HA VAL 53 - HG2 MET 11 lone 1 36 - 2 - Peak 466 from cnoeabs.peaks (4.41, 2.10, 27.30 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.88: * HA PRO 33 + HG2 PRO 33 OK 78 100 - 78 - 3.8=65, 3.6/473=15...(5) HA PRO 57 + HG2 PRO 33 OK 47 100 - 47 - 450/2.3=9, 426/2.3=8...(12) HA ASP 40 - HG2 PRO 33 lone 3 68 - 4 - Peak 467 from cnoeabs.peaks (2.04, 2.10, 27.30 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HB3 LYS 34 + HG2 PRO 33 OK 53 92 - 58 - 4.1/473=6, 459/2.3=5...(28) HB2 PRO 52 - HG2 PRO 33 OK 23 62 - 37 - 2.3/472=5, 435/2.3=3...(18) HG2 PRO 98 - HG2 PRO 33 OK 11 96 - 11 - 435/2.3=1, 427/2.3=1, 459/2.3=1 HB2 GLU 90 - HG2 PRO 33 lone 3 72 - 4 - Peak 468 from cnoeabs.peaks (2.43, 2.10, 27.30 ppm; 2.88 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 MET 68 - HG2 PRO 33 OK 39 99 - 39 - ~1980=4, 452/2.3=4...(15) HG2 MET 11 - HG2 PRO 33 OK 38 96 - 40 - 452/2.3=4, ~39=4, ~39=4...(17) HG3 GLU 131 - HG2 PRO 33 OK 23 94 - 24 - 4463/1.8=3, 1.8/4862=2...(10) HG2 GLN 47 - HG2 PRO 33 OK 20 89 - 23 - ~10678=2, 452/2.3=2...(14) HG3 GLN 47 - HG2 PRO 33 OK 20 89 - 23 - ~10678=2, 452/2.3=2...(14) HG2 GLN 133 - HG2 PRO 33 lone 3 72 - 4 - HG3 GLN 133 - HG2 PRO 33 lone 3 68 - 4 - Peak 469 from cnoeabs.peaks (2.10, 2.10, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 33 + HG2 PRO 33 OK 100 100 - 100 Peak 470 from cnoeabs.peaks (2.09, 2.10, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HG2 PRO 33 + HG2 PRO 33 OK 81 81 - 100 Reference assignment not found: HG3 PRO 33 - HG2 PRO 33 Peak 471 from cnoeabs.peaks (4.05, 2.10, 27.30 ppm; 2.88 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HA GLN 25 + HG2 PRO 33 OK 51 89 - 57 - 197=7, 439/2.3=6...(29) HD3 PRO 118 - HG2 PRO 33 OK 43 72 - 59 - 2.3/3975=6, 439/2.3=5...(33) HA LYS 24 - HG2 PRO 33 OK 21 92 - 22 - 439/2.3=3, ~10877=2...(11) Peak 472 from cnoeabs.peaks (4.09, 2.10, 27.30 ppm; 2.88 A): 1 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HA PRO 52 - HG2 PRO 33 OK 41 99 - 41 - 432/2.3=7, 456/2.3=5...(19) HA VAL 53 - HG2 PRO 33 OK 19 68 - 28 - 432/2.3=3, 3.0/6499=3...(13) HB THR 110 - HG2 PRO 33 poor 8 72 - 12 - 2.8/10810=2, 432/2.3=2...(4) HA THR 99 - HG2 PRO 33 lone 4 89 - 4 - Peak 473 from cnoeabs.peaks (8.89, 2.10, 27.30 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.90: * H LYS 34 + HG2 PRO 33 OK 85 100 - 85 - 6162/2.3=27, 6161/2.3=22...(16) H ASN 84 + HG2 PRO 33 OK 34 98 - 34 - 433/2.3=9, 441/2.3=8...(7) Peak 474 from cnoeabs.peaks (4.41, 2.09, 27.30 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.87: * HA PRO 33 + HG3 PRO 33 OK 76 100 - 76 - 3.8=64, 3.6/481=14...(6) HA PRO 57 + HG3 PRO 33 OK 47 100 - 47 - 2.3/9793=10, 450/2.3=9...(11) HA ASP 40 - HG3 PRO 33 lone 3 68 - 4 - Peak 475 from cnoeabs.peaks (2.04, 2.09, 27.30 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HB3 LYS 34 + HG3 PRO 33 OK 55 92 - 59 - 4.1/481=6, 2.9/10997=5...(29) HB2 PRO 52 - HG3 PRO 33 OK 23 62 - 36 - 2.3/480=5, 435/2.3=3...(17) HG2 PRO 98 - HG3 PRO 33 OK 11 96 - 11 - 435/2.3=1, 427/2.3=1, 459/2.3=1 HB2 GLU 90 - HG3 PRO 33 lone 3 72 - 4 - Peak 476 from cnoeabs.peaks (2.43, 2.09, 27.30 ppm; 2.91 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 MET 68 - HG3 PRO 33 OK 39 99 - 40 - ~1980=4, 452/2.3=4...(15) HG2 MET 11 - HG3 PRO 33 OK 39 96 - 41 - 452/2.3=4, ~39=4, ~39=4...(17) HG3 GLU 131 - HG3 PRO 33 OK 25 94 - 27 - 4463=3, 2.9/4449=2...(9) HG2 GLN 47 - HG3 PRO 33 OK 21 89 - 23 - ~10678=2, 452/2.3=2...(14) HG3 GLN 47 - HG3 PRO 33 OK 21 89 - 23 - ~10678=2, 452/2.3=2...(14) HG2 GLN 133 - HG3 PRO 33 lone 3 72 - 5 - HG3 GLN 133 - HG3 PRO 33 lone 3 68 - 5 - Peak 477 from cnoeabs.peaks (2.10, 2.09, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HG3 PRO 33 + HG3 PRO 33 OK 81 81 - 100 Reference assignment not found: HG2 PRO 33 - HG3 PRO 33 Peak 478 from cnoeabs.peaks (2.09, 2.09, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 33 + HG3 PRO 33 OK 100 100 - 100 Peak 479 from cnoeabs.peaks (4.05, 2.09, 27.30 ppm; 2.88 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HA GLN 25 + HG3 PRO 33 OK 50 89 - 57 - 439/2.3=6, 197=6...(30) HD3 PRO 118 + HG3 PRO 33 OK 45 72 - 62 - 2.3/3975=6, 439/2.3=5...(37) HA LYS 24 - HG3 PRO 33 OK 21 92 - 23 - 439/2.3=3, ~10877=2...(12) Peak 480 from cnoeabs.peaks (4.09, 2.09, 27.30 ppm; 2.87 A): 1 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HA PRO 52 - HG3 PRO 33 OK 40 99 - 41 - 432/2.3=7, 456/2.3=5...(19) HA VAL 53 - HG3 PRO 33 OK 18 68 - 26 - 432/2.3=3, 456/2.3=2...(13) HB THR 110 - HG3 PRO 33 poor 8 72 - 10 - 432/2.3=2, ~10810=1, ~424=1 HA THR 99 - HG3 PRO 33 lone 4 89 - 4 - Peak 481 from cnoeabs.peaks (8.89, 2.09, 27.30 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.90: * H LYS 34 + HG3 PRO 33 OK 85 100 - 85 - 6162/2.3=28, 6161/2.3=23...(16) H ASN 84 + HG3 PRO 33 OK 35 98 - 36 - 433/2.3=10, 441/2.3=9...(7) Peak 482 from cnoeabs.peaks (8.89, 4.07, 57.19 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 34 + HA LYS 34 OK 100 100 - 100 - 3.0=100 H LYS 34 - HA LEU 26 OK 44 96 - 46 - 6163=8, 6167/3.0=6...(24) H ASN 84 - HA LYS 34 OK 28 98 - 28 - 515/4.0=4, 493/3.0=4...(10) H ASN 84 - HA LEU 26 lone 8 93 - 9 - 9965/8746=1 Peak 483 from cnoeabs.peaks (4.07, 4.07, 57.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 34 + HA LYS 34 OK 100 100 - 100 HA LEU 26 + HA LEU 26 OK 95 95 - 100 Peak 484 from cnoeabs.peaks (1.96, 4.07, 57.19 ppm; 2.96 A): 1 out of 14 assignments used, quality = 0.99: * HB2 LYS 34 + HA LYS 34 OK 99 100 - 99 - 3.0=96, 6164/3.0=15...(36) HB2 LYS 34 - HA LEU 26 OK 45 96 - 46 - 10584/4.0=6, 494=5...(19) HB3 MET 11 - HA LYS 34 OK 35 100 - 36 - 3.0/9799=5, 6164/3.0=4...(15) HB3 PRO 98 - HA LYS 34 OK 31 77 - 40 - 528/4.0=4, 506/3.0=3...(25) HB3 ARG 124 - HA LYS 34 OK 18 81 - 23 - ~10799=3, 506/3.0=2...(7) HB ILE 56 - HA LEU 26 OK 17 86 - 20 - 3.2/10871=5, ~10868=4...(7) HB2 LYS 61 - HA LYS 34 OK 13 96 - 14 - 6164/3.0=1, 1.8/237=1...(5) HB2 LYS 61 - HA LEU 26 OK 12 91 - 13 - 10584/4.0=2, 1.8/237=2 HB ILE 56 - HA LYS 34 lone 8 92 - 9 - 3.2/10871=1 HB3 PRO 98 - HA LEU 26 lone 7 71 - 10 - ~10113=3 HB3 MET 11 - HA LEU 26 lone 5 96 - 5 - HB3 ARG 124 - HA LEU 26 lone 4 75 - 5 - 3.0/238=1 HB3 GLU 75 - HA LYS 34 lone 3 72 - 3 - 1.8/10581=1 HB3 GLU 75 - HA LEU 26 lone 2 66 - 3 - 10584/4.0=2 Peak 485 from cnoeabs.peaks (2.03, 4.07, 57.19 ppm; 2.97 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 34 + HA LYS 34 OK 99 100 - 99 - 3.0=97, 2.9/486=14...(32) HB2 PRO 33 + HA LYS 34 OK 67 92 - 73 - 6165/3.0=9, ~6156=6...(39) HB2 GLU 90 + HA LYS 34 OK 47 98 - 48 - 2918=9, 1.8/2925=7...(18) HB3 LYS 34 - HA LEU 26 OK 42 96 - 44 - 1.8/484=5, 505=5...(20) HB2 PRO 33 - HA LEU 26 OK 29 86 - 34 - 2.3/237=4, 4.3/482=3...(17) HG2 PRO 98 - HA LYS 34 OK 25 68 - 38 - 2.3/484=4, 496/3.0=3...(27) HB2 GLU 90 - HA LEU 26 OK 11 93 - 12 - 2918=2, 1.8/2925=2...(4) HG2 PRO 98 - HA LEU 26 lone 6 61 - 10 - ~10113=3, ~9131=1 Peak 486 from cnoeabs.peaks (1.50, 4.07, 57.19 ppm; 3.09 A): 2 out of 10 assignments used, quality = 0.93: * HG2 LYS 34 + HA LYS 34 OK 89 100 - 89 - 4.0=47, 515/3.0=16...(34) HG2 LYS 34 + HA LEU 26 OK 42 96 - 43 - 516=7, 1.8/527=5...(16) HG13 ILE 101 - HA LYS 34 OK 28 89 - 32 - ~9180=6, 10180/3.0=5...(12) HB3 LEU 29 - HA LEU 26 OK 17 71 - 24 - 3.0/10917=5, 3.1/8060=5...(7) HB3 LEU 29 - HA LYS 34 OK 15 77 - 20 - 3.1/8060=4, 3.0/10917=3...(8) HB2 GLU 122 - HA LYS 34 OK 12 85 - 14 - 1.8/484=2, 497/3.0=2...(5) HD3 LYS 114 - HA LYS 34 OK 10 94 - 11 - 6178/3.6=3, 6166/3.0=2...(5) HD3 LYS 114 - HA LEU 26 poor 10 88 - 11 - 3.6/238=2, 3800/3.0=1 HB2 GLU 122 - HA LEU 26 lone 7 79 - 9 - 4069/3.0=1 HG13 ILE 101 - HA LEU 26 lone 6 82 - 7 - 2.1/10545=2 Peak 487 from cnoeabs.peaks (1.63, 4.07, 57.19 ppm; 3.23 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 34 + HA LYS 34 OK 93 100 - 93 - 4.0=54, 1.8/486=22...(34) HB3 LEU 26 + HA LEU 26 OK 88 88 - 100 - 3.0=100 HG3 LYS 34 + HA LEU 26 OK 48 96 - 50 - 527=7, 1.8/486=6...(19) HB3 LEU 26 + HA LYS 34 OK 47 94 - 50 - 6167/3.0=5, 3.2/268=5...(21) HD2 LYS 24 - HA LEU 26 OK 35 96 - 36 - 10908=9, 11359/2.9=5...(12) HD2 LYS 24 - HA LYS 34 OK 29 100 - 29 - 10908=4, 498/3.0=4...(12) HB2 LEU 87 - HA LYS 34 OK 16 72 - 22 - 498/3.0=3, 520/4.0=2...(10) HB3 LEU 64 - HA LYS 34 OK 11 77 - 14 - 498/3.0=3, 520/4.0=2...(6) HB3 LEU 64 - HA LEU 26 lone 6 71 - 8 - 1.8/10545=2, ~10867=1 HG3 ARG 49 - HA LEU 26 lone 6 61 - 9 - 3.0/237=1 HG3 ARG 49 - HA LYS 34 lone 4 68 - 6 - 6179/3.6=1 HB2 LEU 87 - HA LEU 26 lone 3 66 - 4 - HG3 ARG 144 - HA LYS 34 lone 1 77 - 1 - HG3 ARG 144 - HA LEU 26 lone 1 71 - 1 - Peak 488 from cnoeabs.peaks (1.79, 4.07, 57.19 ppm; 3.16 A): 2 out of 18 assignments used, quality = 0.99: * HD2 LYS 34 + HA LYS 34 OK 91 100 - 91 - 4.7=30, 2.9/486=16...(46) HD3 LYS 34 + HA LYS 34 OK 91 100 - 91 - 4.7=30, 2.9/486=16...(46) HD2 LYS 34 - HA LEU 26 OK 40 96 - 41 - 2.9/486=5, 538=4...(19) HD3 LYS 34 - HA LEU 26 OK 39 96 - 41 - 2.9/486=5, 538=4...(18) HB3 LYS 24 - HA LYS 34 OK 34 98 - 35 - 10885/4.7=4, 3.7/487=3...(15) HB3 LYS 24 - HA LEU 26 OK 32 93 - 34 - 11353/2.9=5, 3.0/10890=4...(12) HD3 LYS 86 - HA LYS 34 OK 31 92 - 34 - 499/3.0=4, 3.0/491=3...(15) HG2 PRO 57 - HA LYS 34 OK 19 89 - 22 - 1.8/486=5, ~497=3...(10) HB2 ARG 124 - HA LYS 34 OK 17 89 - 19 - ~10799=3, 4207/3.0=3...(11) HG2 PRO 57 - HA LEU 26 OK 14 82 - 17 - 2.3/238=4, ~246=2...(4) HD3 LYS 86 - HA LEU 26 OK 14 86 - 16 - 1.8/239=2, 3.0/10567=2...(7) HG LEU 72 - HA LYS 34 OK 11 92 - 12 - 499/3.0=1, ~11609=1...(4) HG LEU 72 - HA LEU 26 lone 7 86 - 8 - ~8545=1 HB2 ARG 124 - HA LEU 26 lone 5 82 - 6 - 3.0/238=1 HB3 ARG 145 - HA LYS 34 lone 3 100 - 3 - HB3 MET 59 - HA LYS 34 lone 2 62 - 3 - HB3 MET 59 - HA LEU 26 lone 1 57 - 2 - HB3 ARG 145 - HA LEU 26 lone 1 96 - 1 - Peak 489 from cnoeabs.peaks (1.79, 4.07, 57.19 ppm; 3.16 A): 2 out of 18 assignments used, quality = 0.99: HD2 LYS 34 + HA LYS 34 OK 91 100 - 91 - 4.7=30, 2.9/486=16...(46) * HD3 LYS 34 + HA LYS 34 OK 91 100 - 91 - 4.7=30, 2.9/486=16...(46) HD2 LYS 34 - HA LEU 26 OK 40 96 - 41 - 2.9/486=5, 538=4...(19) HD3 LYS 34 - HA LEU 26 OK 39 96 - 41 - 2.9/486=5, 538=4...(18) HB3 LYS 24 - HA LYS 34 OK 34 98 - 35 - 10885/4.7=4, 3.7/487=3...(15) HB3 LYS 24 - HA LEU 26 OK 32 93 - 34 - 11353/2.9=5, 3.0/10890=4...(12) HD3 LYS 86 - HA LYS 34 OK 31 92 - 34 - 499/3.0=4, 3.0/491=3...(15) HG2 PRO 57 - HA LYS 34 OK 19 89 - 22 - 1.8/486=5, ~497=3...(10) HB2 ARG 124 - HA LYS 34 OK 17 89 - 19 - ~10799=3, 4207/3.0=3...(11) HG2 PRO 57 - HA LEU 26 OK 14 82 - 17 - 2.3/238=4, ~246=2...(4) HD3 LYS 86 - HA LEU 26 OK 14 86 - 16 - 1.8/239=2, 3.0/10567=2...(7) HG LEU 72 - HA LYS 34 OK 11 92 - 12 - 499/3.0=1, ~11609=1...(4) HG LEU 72 - HA LEU 26 lone 7 86 - 8 - ~8545=1 HB2 ARG 124 - HA LEU 26 lone 5 82 - 6 - 3.0/238=1 HB3 ARG 145 - HA LYS 34 lone 3 100 - 3 - HB3 MET 59 - HA LYS 34 lone 2 62 - 3 - HB3 MET 59 - HA LEU 26 lone 1 57 - 2 - HB3 ARG 145 - HA LEU 26 lone 1 96 - 1 - Peak 490 from cnoeabs.peaks (3.05, 4.07, 57.19 ppm; 4.63 A): 7 out of 20 assignments used, quality = 1.00: * HE2 LYS 34 + HA LYS 34 OK 97 100 - 97 - 6.2=42, 3.7/486=24...(36) HE3 LYS 34 + HA LYS 34 OK 96 99 - 97 - 6.2=42, 3.7/486=24...(36) HE3 LYS 86 + HA LYS 34 OK 60 89 - 68 - 535/4.0=7, 502/3.0=7...(33) HE2 LYS 86 + HA LYS 34 OK 60 85 - 70 - 535/4.0=7, 524/4.0=7...(35) HE2 LYS 34 + HA LEU 26 OK 51 96 - 53 - 3.7/516=7, 3.7/527=7...(18) HE3 LYS 34 + HA LEU 26 OK 48 94 - 52 - 3.7/516=7, 3.7/527=7...(17) HB2 TYR 27 + HA LEU 26 OK 47 93 - 51 - 11367/4.8=14...(9) HB2 TYR 27 - HA LYS 34 OK 23 98 - 23 - 2.6/10889=5, 3.9/6089=5...(8) HB2 HIS 10 - HA LYS 34 OK 23 100 - 23 - 4.0/8097=17, 501/3.0=2, ~10799=1 HE3 LYS 86 - HA LEU 26 OK 23 82 - 27 - 10565/3.8=5, 3.0/239=4...(10) HE2 LYS 86 - HA LEU 26 OK 22 79 - 27 - 10565/3.8=4, 3.0/239=4...(10) HB3 ASP 65 - HA LEU 26 OK 13 66 - 20 - 10564/4.0=10...(4) HB3 ASP 30 - HA LEU 26 poor 8 66 - 12 - 6096/3.6=4, 285/4.9=4, 3.8/492=2 HB2 PHE 67 - HA LEU 26 poor 8 66 - 11 - 10564/4.0=4...(4) HB2 PHE 67 - HA LYS 34 lone 7 72 - 10 - 6170/3.0=2, 523/4.0=1, 534/4.0=1 HB2 HIS 10 - HA LEU 26 lone 6 95 - 6 - 10564/4.0=2, 10565/3.8=1 HB3 ASP 30 - HA LYS 34 lone 5 72 - 7 - 3.8/492=3 HB3 TRP 88 - HA LEU 26 lone 5 66 - 8 - 4.2/10889=2, 6096/3.6=2 HB3 ASP 65 - HA LYS 34 lone 4 72 - 6 - 8068/10537=1, 10564/268=1 HB3 TRP 88 - HA LYS 34 lone 3 72 - 4 - Peak 491 from cnoeabs.peaks (3.06, 4.07, 57.19 ppm; 4.63 A): 7 out of 16 assignments used, quality = 1.00: * HE3 LYS 34 + HA LYS 34 OK 97 100 - 97 - 6.2=42, 3.7/486=24...(36) HE2 LYS 34 + HA LYS 34 OK 96 99 - 97 - 6.2=42, 3.7/486=24...(36) HE2 LYS 86 + HA LYS 34 OK 68 96 - 70 - 535/4.0=7, 524/4.0=7...(35) HE3 LYS 86 + HA LYS 34 OK 67 98 - 69 - 535/4.0=7, 502/3.0=7...(33) HB2 TYR 27 + HA LEU 26 OK 50 96 - 52 - 11367/4.8=15...(9) HE3 LYS 34 + HA LEU 26 OK 50 96 - 52 - 3.7/516=7, 3.7/527=7...(17) HE2 LYS 34 + HA LEU 26 OK 49 94 - 53 - 3.7/516=7, 3.7/527=7...(18) HE3 LYS 86 - HA LEU 26 OK 26 93 - 28 - 10565/3.8=5, 3.0/239=4...(11) HE2 LYS 86 - HA LEU 26 OK 25 91 - 28 - 10565/3.8=4, 3.0/239=4...(11) HB2 TYR 27 - HA LYS 34 OK 24 100 - 24 - 2.6/10889=5, 3.9/6089=5...(8) HB2 HIS 10 - HA LYS 34 OK 22 94 - 23 - 4.0/8097=17, 501/3.0=2, ~10799=1 HB3 ASP 30 - HA LEU 26 OK 10 82 - 13 - 6096/3.6=4, 285/4.9=4, 3.8/492=2 HB3 ASP 30 - HA LYS 34 lone 7 89 - 8 - 3.8/492=3 HB3 TRP 88 - HA LEU 26 lone 7 82 - 8 - 4.2/10889=2, 285/4.9=2 HB2 HIS 10 - HA LEU 26 lone 5 88 - 6 - 10564/4.0=2, 10565/3.8=1 HB3 TRP 88 - HA LYS 34 lone 4 89 - 4 - Peak 492 from cnoeabs.peaks (7.31, 4.07, 57.19 ppm; 4.22 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 35 + HA LYS 34 OK 100 100 - 100 - 3.6=100 H ARG 35 + HA LEU 26 OK 66 96 - 68 - 4.5/10864=15, 6175=13...(19) QD TYR 115 - HA LEU 26 OK 29 93 - 31 - 10549/4.0=6, 2.5/10215=5...(11) H ASP 30 - HA LYS 34 OK 25 100 - 25 - 6172/3.0=4, 4.8/10537=4...(9) QD TYR 115 - HA LYS 34 OK 21 98 - 22 - 6172/3.0=4, 11171/4.0=3...(6) H ASP 30 - HA LEU 26 OK 21 95 - 22 - 4.8/10537=5, 4.2/486=2...(7) Peak 493 from cnoeabs.peaks (8.89, 1.96, 31.79 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 34 + HB2 LYS 34 OK 99 100 - 99 - 4.1=91, 526/2.9=26...(35) H ASN 84 - HB2 LYS 34 OK 33 98 - 33 - 515/2.9=8, 526/2.9=8...(7) H LYS 34 - HB3 MET 11 OK 28 70 - 40 - 6164=8, 3.0/484=7...(12) H ASN 84 - HB3 MET 11 lone 3 65 - 4 - Peak 494 from cnoeabs.peaks (4.07, 1.96, 31.79 ppm; 3.41 A): 3 out of 14 assignments used, quality = 1.00: * HA LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 3.0=100 HA LEU 26 + HB2 LYS 34 OK 58 100 - 58 - 4.0/10584=8, 484=7...(26) HA GLU 90 + HB2 LYS 34 OK 52 100 - 52 - 2909/1.8=12, 527/2.9=6...(22) HA LYS 34 - HB3 MET 11 OK 34 70 - 49 - 484=10, 9799/3.0=6...(21) HA LYS 24 - HB2 LYS 34 OK 30 68 - 45 - 11319/2.9=4, 516/2.9=3...(26) HD3 PRO 118 - HB2 LYS 34 OK 25 89 - 28 - ~10581=4, 6163/4.1=2...(12) HA VAL 53 - HB2 LYS 34 OK 19 96 - 19 - ~10581=3, 505/1.8=2...(5) HA LEU 132 - HB2 LYS 34 OK 15 100 - 14 - 516/2.9=2, 527/2.9=2...(4) HA LEU 26 - HB3 MET 11 lone 5 68 - 7 - HA GLU 90 - HB3 MET 11 lone 4 68 - 6 - HA LYS 24 - HB3 MET 11 lone 2 40 - 6 - HA LEU 132 - HB3 MET 11 lone 2 68 - 2 - HD3 PRO 118 - HB3 MET 11 lone 2 56 - 3 - HA VAL 53 - HB3 MET 11 lone 1 63 - 1 - Peak 495 from cnoeabs.peaks (1.96, 1.96, 31.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 34 + HB2 LYS 34 OK 100 100 - 100 HB3 MET 11 + HB3 MET 11 OK 70 70 - 100 Peak 496 from cnoeabs.peaks (2.03, 1.96, 31.79 ppm; 2.57 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 1.8=100 HB2 PRO 33 + HB2 LYS 34 OK 61 92 - 67 - 4.3/6164=6, 506=5...(42) HB2 GLU 90 - HB2 LYS 34 OK 38 98 - 39 - ~2926=4, 2918/3.0=4...(17) HG2 PRO 98 - HB2 LYS 34 OK 34 68 - 50 - ~9131=4, ~9138=3...(32) HB3 LYS 34 - HB3 MET 11 OK 24 70 - 34 - 506=5, ~20=3, 3.0/484=3...(17) HB2 PRO 33 - HB3 MET 11 OK 23 59 - 40 - 1.8/27=3, 506=3, ~21=3...(21) HB2 GLU 90 - HB3 MET 11 lone 2 65 - 3 - HG2 PRO 98 - HB3 MET 11 lone 1 40 - 4 - Peak 497 from cnoeabs.peaks (1.50, 1.96, 31.79 ppm; 3.61 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 2.9=100 HG13 ILE 101 + HB2 LYS 34 OK 56 89 - 63 - ~9180=13, ~9180=10...(26) HG2 LYS 34 - HB3 MET 11 OK 36 70 - 52 - 517=9, 1.8/528=7, ~20=5...(22) HB2 GLU 122 - HB2 LYS 34 OK 25 85 - 29 - 530/2.9=3, 508/1.8=2...(14) HB3 LEU 29 - HB2 LYS 34 OK 21 77 - 27 - 6178/4.6=3, 6166/4.1=2...(13) HD3 LYS 114 - HB2 LYS 34 OK 20 94 - 21 - 6178/4.6=3, 530/2.9=2...(6) HG13 ILE 101 - HB3 MET 11 poor 7 56 - 12 - ~9181=4, ~9186=1 HB3 LEU 29 - HB3 MET 11 poor 5 47 - 11 - ~9778=3, ~10532=2...(4) HB2 GLU 122 - HB3 MET 11 lone 5 53 - 8 - HD3 LYS 114 - HB3 MET 11 lone 3 61 - 5 - ~9339=2 Peak 498 from cnoeabs.peaks (1.63, 1.96, 31.79 ppm; 3.62 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 2.9=100 HB3 LEU 26 + HB2 LYS 34 OK 65 94 - 69 - 3.2/10584=11, 520/2.9=6...(41) HD2 LYS 24 - HB2 LYS 34 OK 43 100 - 43 - 487/3.0=5, 520/2.9=5...(21) HG3 LYS 34 - HB3 MET 11 OK 36 70 - 51 - 528=9, 1.8/517=7, ~20=5...(22) HB3 LEU 64 - HB2 LYS 34 OK 29 77 - 38 - 3.1/11013=6, 520/2.9=4...(21) HB2 LEU 87 - HB2 LYS 34 OK 27 72 - 38 - 3.0/10519=5, ~10799=4...(13) HG3 ARG 49 - HB2 LYS 34 lone 6 68 - 9 - 6179/4.6=1 HD2 LYS 24 - HB3 MET 11 lone 5 70 - 7 - ~10894=1 HB3 LEU 26 - HB3 MET 11 lone 4 61 - 6 - 3.2/10584=1 HB3 LEU 64 - HB3 MET 11 lone 2 47 - 4 - 3.1/11013=1 HG3 ARG 144 - HB2 LYS 34 lone 2 77 - 2 - HB2 LEU 87 - HB3 MET 11 lone 1 43 - 2 - HG3 ARG 144 - HB3 MET 11 lone 0 47 - 1 - HG3 ARG 49 - HB3 MET 11 lone 0 40 - 1 - Peak 499 from cnoeabs.peaks (1.79, 1.96, 31.79 ppm; 2.57 A): 2 out of 18 assignments used, quality = 0.99: * HD2 LYS 34 + HB2 LYS 34 OK 90 100 - 90 - 3.4=44, 1.8/550=7...(66) HD3 LYS 34 + HB2 LYS 34 OK 90 100 - 90 - 3.4=44, 1.8/539=7...(65) HB3 LYS 24 - HB2 LYS 34 OK 35 98 - 36 - 10885/3.4=4, 10885/3.4=3...(15) HD3 LYS 86 - HB2 LYS 34 OK 32 92 - 35 - 521/2.9=3, 532/2.9=3...(10) HG2 PRO 57 - HB2 LYS 34 OK 24 89 - 27 - 1.8/497=4, 533/2.9=2...(11) HB2 ARG 124 - HB3 MET 11 OK 21 56 - 39 - 1.8/29=6, ~23=4, 4207=3...(20) HB2 ARG 124 - HB2 LYS 34 OK 20 89 - 22 - ~10799=3, 4207=2...(8) HD3 LYS 34 - HB3 MET 11 OK 15 70 - 22 - 550=3, 2.9/517=3...(8) HD2 LYS 34 - HB3 MET 11 OK 15 70 - 22 - 539=3, 2.9/517=3...(8) HG LEU 72 - HB2 LYS 34 OK 13 92 - 14 - 2.1/11609=1, 2136/3.4=1 HG LEU 72 - HB3 MET 11 poor 6 59 - 10 - 2136/1.8=1 HB3 ARG 145 - HB2 LYS 34 lone 3 100 - 3 - HB3 LYS 24 - HB3 MET 11 lone 3 65 - 5 - HB3 MET 59 - HB2 LYS 34 lone 2 62 - 3 - HB3 MET 59 - HB3 MET 11 lone 2 36 - 4 - HD3 LYS 86 - HB3 MET 11 lone 1 59 - 2 - HG2 PRO 57 - HB3 MET 11 lone 1 56 - 2 - HB3 ARG 145 - HB3 MET 11 lone 0 70 - 1 - Peak 500 from cnoeabs.peaks (1.79, 1.96, 31.79 ppm; 2.57 A): 2 out of 18 assignments used, quality = 0.99: HD2 LYS 34 + HB2 LYS 34 OK 90 100 - 90 - 3.4=44, 1.8/550=7...(66) * HD3 LYS 34 + HB2 LYS 34 OK 90 100 - 90 - 3.4=44, 1.8/539=7...(65) HB3 LYS 24 - HB2 LYS 34 OK 35 98 - 36 - 10885/3.4=4, 10885/3.4=3...(15) HD3 LYS 86 - HB2 LYS 34 OK 32 92 - 35 - 521/2.9=3, 532/2.9=3...(10) HG2 PRO 57 - HB2 LYS 34 OK 24 89 - 27 - 1.8/497=4, 533/2.9=2...(11) HB2 ARG 124 - HB3 MET 11 OK 21 56 - 39 - 1.8/29=6, ~23=4, 4207=3...(20) HB2 ARG 124 - HB2 LYS 34 OK 20 89 - 22 - ~10799=3, 4207=2...(8) HD3 LYS 34 - HB3 MET 11 OK 15 70 - 22 - 550=3, 2.9/517=3...(8) HD2 LYS 34 - HB3 MET 11 OK 15 70 - 22 - 539=3, 2.9/517=3...(8) HG LEU 72 - HB2 LYS 34 OK 13 92 - 14 - 2.1/11609=1, 2136/3.4=1 HG LEU 72 - HB3 MET 11 poor 6 59 - 10 - 2136/1.8=1 HB3 ARG 145 - HB2 LYS 34 lone 3 100 - 3 - HB3 LYS 24 - HB3 MET 11 lone 3 65 - 5 - HB3 MET 59 - HB2 LYS 34 lone 2 62 - 3 - HB3 MET 59 - HB3 MET 11 lone 2 36 - 4 - HD3 LYS 86 - HB3 MET 11 lone 1 59 - 2 - HG2 PRO 57 - HB3 MET 11 lone 1 56 - 2 - HB3 ARG 145 - HB3 MET 11 lone 0 70 - 1 - Peak 501 from cnoeabs.peaks (3.05, 1.96, 31.79 ppm; 6.65 A): 5 out of 20 assignments used, quality = 1.00: * HE2 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 4.6=100 HE3 LYS 34 + HB2 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB2 LYS 34 OK 87 89 - 98 - 524/2.9=10, 535/2.9=10...(64) HE2 LYS 86 + HB2 LYS 34 OK 84 85 - 98 - 524/2.9=10, 535/2.9=10...(70) HB2 HIS 10 + HB2 LYS 34 OK 45 100 - 46 - 4.0/8098=33, 4.7/10973=7...(5) HB2 TYR 27 - HB2 LYS 34 OK 39 98 - 39 - ~11170=16, ~10807=6...(8) HB2 PHE 67 - HB2 LYS 34 OK 36 72 - 50 - 4.4/9796=39...(6) HE2 LYS 34 - HB3 MET 11 OK 34 70 - 49 - 3.7/517=9, 3.7/528=9...(12) HE3 LYS 34 - HB3 MET 11 OK 32 67 - 49 - 3.7/517=9, 3.7/528=9...(12) HB3 ASP 30 - HB2 LYS 34 poor 8 72 - 11 - 3.8/11172=5, 6171/4.1=1 HB3 ASP 65 - HB2 LYS 34 lone 7 72 - 9 - 10564/10584=4 HE3 LYS 86 - HB3 MET 11 poor 6 56 - 11 - 10977/4.0=1 HE2 LYS 86 - HB3 MET 11 poor 6 53 - 11 - 10977/4.0=1 HB2 PHE 67 - HB3 MET 11 poor 5 43 - 11 - ~8417=3, 4.4/10805=2, ~8447=1 HB3 TRP 88 - HB2 LYS 34 lone 5 72 - 6 - 8927/9470=1 HB2 TYR 27 - HB3 MET 11 lone 3 65 - 5 - HB3 ASP 65 - HB3 MET 11 lone 3 43 - 7 - ~11444=2 HB2 HIS 10 - HB3 MET 11 lone 2 68 - 3 - HB3 TRP 88 - HB3 MET 11 lone 2 43 - 4 - HB3 ASP 30 - HB3 MET 11 lone 2 43 - 4 - Peak 502 from cnoeabs.peaks (3.06, 1.96, 31.79 ppm; 6.65 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 4.6=100 HE2 LYS 34 + HB2 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB2 LYS 34 OK 96 98 - 98 - 535/2.9=10, 524/2.9=10...(64) HE2 LYS 86 + HB2 LYS 34 OK 95 96 - 99 - 535/2.9=10, 524/2.9=10...(70) HB2 HIS 10 - HB2 LYS 34 OK 43 94 - 46 - 4.0/8098=33, 4.7/10973=7...(5) HB2 TYR 27 - HB2 LYS 34 OK 40 100 - 40 - ~11170=16, ~10807=6...(8) HE3 LYS 34 - HB3 MET 11 OK 34 70 - 49 - 3.7/517=9, 3.7/528=9...(12) HE2 LYS 34 - HB3 MET 11 OK 33 67 - 49 - 3.7/517=9, 3.7/528=9...(12) HB3 ASP 30 - HB2 LYS 34 OK 10 89 - 11 - 3.8/11172=5, 6171/4.1=1 HE3 LYS 86 - HB3 MET 11 poor 8 65 - 11 - 10977/4.0=1 HE2 LYS 86 - HB3 MET 11 poor 7 63 - 11 - 10977/4.0=1 HB3 TRP 88 - HB2 LYS 34 lone 6 89 - 7 - 8927/9470=2 HB2 TYR 27 - HB3 MET 11 lone 3 70 - 5 - HB3 TRP 88 - HB3 MET 11 lone 2 56 - 4 - HB3 ASP 30 - HB3 MET 11 lone 2 56 - 4 - HB2 HIS 10 - HB3 MET 11 lone 2 61 - 3 - Peak 504 from cnoeabs.peaks (8.89, 2.03, 31.79 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 34 + HB3 LYS 34 OK 98 100 - 98 - 4.1=78, 6164/1.8=29...(35) H LYS 34 + HB2 PRO 33 OK 57 60 - 95 - 4.3=67, 6156/2.3=27...(15) H ASN 84 - HB3 LYS 34 OK 35 98 - 35 - 515/2.9=7, 526/2.9=7...(11) H ASN 84 - HB2 PRO 33 OK 26 56 - 46 - 473/2.3=10, 481/2.3=10...(7) Peak 505 from cnoeabs.peaks (4.07, 2.03, 31.79 ppm; 3.25 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.0=100 HA GLU 90 + HB3 LYS 34 OK 63 100 - 63 - 2909=14, 3.0/2926=8...(24) HA LEU 26 + HB3 LYS 34 OK 51 100 - 52 - 485=6, 484/1.8=6...(22) HA LYS 34 + HB2 PRO 33 OK 48 60 - 81 - 485=11, 3.0/6165=10...(41) HD3 PRO 118 - HB2 PRO 33 OK 31 47 - 65 - 480/2.3=9, 472/2.3=9...(38) HA LYS 24 - HB3 LYS 34 OK 28 68 - 41 - 11319/2.9=3, 516/2.9=3...(27) HD3 PRO 118 - HB3 LYS 34 OK 24 89 - 27 - ~10581=4, 494/1.8=2...(9) HA LEU 26 - HB2 PRO 33 OK 24 58 - 41 - 237/2.3=5, 485=4...(16) HA VAL 53 - HB3 LYS 34 OK 19 96 - 19 - ~10581=3, 494/1.8=2...(5) HA LEU 132 - HB3 LYS 34 OK 14 100 - 14 - 494/1.8=2, 516/2.9=2...(4) HA VAL 53 - HB2 PRO 33 OK 12 54 - 23 - 1383/2.3=3, 1383/2.3=2...(7) HA LYS 24 - HB2 PRO 33 poor 9 33 - 26 - 479/2.3=3, 471/2.3=3...(11) HA GLU 90 - HB2 PRO 33 lone 6 58 - 10 - 6163/4.3=2, 2909=2 HA LEU 132 - HB2 PRO 33 lone 2 58 - 4 - ~7664=1 Peak 506 from cnoeabs.peaks (1.96, 2.03, 31.79 ppm; 2.84 A): 3 out of 14 assignments used, quality = 1.00: * HB2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 1.8=100 HB3 PRO 98 + HB3 LYS 34 OK 47 77 - 61 - 528/2.9=5, 517/2.9=4...(41) HB2 LYS 34 + HB2 PRO 33 OK 46 60 - 77 - 496=11, 6164/4.3=8...(42) HB3 MET 11 - HB3 LYS 34 OK 40 100 - 41 - ~20=4, 496=4, 484/3.0=4...(21) HB3 MET 11 - HB2 PRO 33 OK 29 59 - 49 - 27/1.8=6, 496=4, ~21=4...(26) HB3 ARG 124 - HB3 LYS 34 OK 25 81 - 31 - 3.0/10799=6, ~4207=2...(14) HB2 LYS 61 - HB3 LYS 34 OK 15 96 - 16 - ~1673=2, 484/3.0=1...(6) HB ILE 56 - HB3 LYS 34 poor 10 92 - 11 - ~1459=1, 517/2.9=1 HB3 PRO 98 - HB2 PRO 33 poor 6 39 - 16 - 6164/4.3=1, 1.8/3261=1 HB2 LYS 61 - HB2 PRO 33 lone 4 54 - 8 - 1663/2.3=1 HB3 GLU 75 - HB3 LYS 34 lone 2 72 - 3 - HB3 ARG 124 - HB2 PRO 33 lone 2 42 - 6 - HB ILE 56 - HB2 PRO 33 lone 1 50 - 2 - HB3 GLU 75 - HB2 PRO 33 lone 0 36 - 1 - Peak 507 from cnoeabs.peaks (2.03, 2.03, 31.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 HB2 PRO 33 + HB2 PRO 33 OK 50 50 - 100 Peak 508 from cnoeabs.peaks (1.50, 2.03, 31.79 ppm; 4.32 A): 3 out of 10 assignments used, quality = 1.00: * HG2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 2.9=100 HG13 ILE 101 + HB3 LYS 34 OK 70 89 - 79 - 2.1/9180=25, 10180=13...(29) HG2 LYS 34 + HB2 PRO 33 OK 57 60 - 96 - 515/4.3=22, 10609/2.3=20...(43) HB2 GLU 122 - HB3 LYS 34 OK 32 85 - 37 - 497/1.8=4, 530/2.9=4...(18) HB3 LEU 29 - HB3 LYS 34 OK 28 77 - 36 - 6178/4.6=5, 497/1.8=3...(13) HD3 LYS 114 - HB3 LYS 34 OK 27 94 - 29 - 6178/4.6=5, 497/1.8=3...(13) HG13 ILE 101 - HB2 PRO 33 OK 23 47 - 48 - 9792/2.3=12, 2.1/9180=8...(14) HB2 GLU 122 - HB2 PRO 33 OK 14 45 - 31 - 10997/2.3=6, 10994/2.3=6...(11) HB3 LEU 29 - HB2 PRO 33 poor 9 39 - 23 - 9792/2.3=7, ~9777=3...(8) HD3 LYS 114 - HB2 PRO 33 poor 6 52 - 12 - 9792/2.3=3, 6166/4.3=2 Peak 509 from cnoeabs.peaks (1.63, 2.03, 31.79 ppm; 3.89 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 2.9=100 HB3 LEU 26 + HB3 LYS 34 OK 71 94 - 75 - ~10584=9, 498/1.8=8...(41) HG3 LYS 34 + HB2 PRO 33 OK 55 60 - 93 - 526/4.3=18, 529=14...(45) HD2 LYS 24 + HB3 LYS 34 OK 50 100 - 50 - 498/1.8=8, 487/3.0=6...(21) HB3 LEU 64 - HB3 LYS 34 OK 33 77 - 43 - 498/1.8=6, 520/2.9=5...(22) HB2 LEU 87 - HB3 LYS 34 OK 32 72 - 44 - 3.0/10799=7, 3.1/8898=7...(14) HB3 LEU 26 - HB2 PRO 33 OK 26 52 - 50 - 10610/2.3=8, 9793/2.3=8...(23) HD2 LYS 24 - HB2 PRO 33 OK 25 60 - 42 - ~10894=7, 11312/3.0=7...(12) HG3 ARG 49 - HB3 LYS 34 poor 7 68 - 11 - 6179/4.6=1, 498/1.8=1 HB2 LEU 87 - HB2 PRO 33 poor 7 36 - 20 - 10995/2.3=2, ~10525=2...(10) HB3 LEU 64 - HB2 PRO 33 lone 3 39 - 7 - ~11243=2, 6167/4.3=1 HG3 ARG 49 - HB2 PRO 33 lone 3 33 - 8 - 10995/2.3=1 HG3 ARG 144 - HB3 LYS 34 lone 2 77 - 3 - HG3 ARG 144 - HB2 PRO 33 lone 1 39 - 1 - Peak 510 from cnoeabs.peaks (1.79, 2.03, 31.79 ppm; 3.73 A): 7 out of 18 assignments used, quality = 1.00: * HD2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.4=100 HD3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.4=100 HB3 LYS 24 + HB3 LYS 34 OK 66 98 - 68 - 10885/3.4=8, 10885/3.4=7...(33) HD3 LYS 86 + HB3 LYS 34 OK 66 92 - 72 - 499/1.8=7, 521/2.9=5...(48) HD2 LYS 34 + HB2 PRO 33 OK 51 60 - 86 - 537/4.3=9, 2.9/518=8...(48) HD3 LYS 34 + HB2 PRO 33 OK 51 60 - 86 - 548/4.3=8, 2.9/518=8...(48) HG2 PRO 57 + HB3 LYS 34 OK 47 89 - 53 - ~497=6, 1.8/508=5...(29) HB2 ARG 124 - HB3 LYS 34 OK 39 89 - 43 - 3.0/10799=11, 4207/1.8=5...(21) HG LEU 72 - HB3 LYS 34 OK 30 92 - 32 - ~11609=3, 499/1.8=3...(18) HG2 PRO 57 - HB2 PRO 33 OK 29 47 - 62 - ~11514=8, ~9793=8...(23) HB3 LYS 24 - HB2 PRO 33 OK 29 56 - 52 - ~10894=6, ~11372=5...(27) HB3 ARG 145 - HB3 LYS 34 lone 8 100 - 8 - HB3 MET 59 - HB3 LYS 34 lone 5 62 - 9 - 4.8/8327=2, ~10522=1 HB2 ARG 124 - HB2 PRO 33 lone 4 47 - 9 - 3.0/10799=2, ~9791=1 HD3 LYS 86 - HB2 PRO 33 lone 4 50 - 7 - 6168/4.3=2 HG LEU 72 - HB2 PRO 33 lone 3 50 - 6 - ~9952=1 HB3 ARG 145 - HB2 PRO 33 lone 1 59 - 1 - HB3 MET 59 - HB2 PRO 33 lone 1 30 - 2 - Peak 511 from cnoeabs.peaks (1.79, 2.03, 31.79 ppm; 3.73 A): 7 out of 18 assignments used, quality = 1.00: HD2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.4=100 * HD3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.4=100 HB3 LYS 24 + HB3 LYS 34 OK 66 98 - 68 - 10885/3.4=8, 10885/3.4=7...(33) HD3 LYS 86 + HB3 LYS 34 OK 66 92 - 72 - 499/1.8=7, 521/2.9=5...(48) HD2 LYS 34 + HB2 PRO 33 OK 51 60 - 86 - 537/4.3=9, 2.9/518=8...(48) HD3 LYS 34 + HB2 PRO 33 OK 51 60 - 86 - 548/4.3=8, 2.9/518=8...(48) HG2 PRO 57 + HB3 LYS 34 OK 47 89 - 53 - ~497=6, 1.8/508=5...(29) HB2 ARG 124 - HB3 LYS 34 OK 39 89 - 43 - 3.0/10799=11, 4207/1.8=5...(21) HG LEU 72 - HB3 LYS 34 OK 30 92 - 32 - ~11609=3, 499/1.8=3...(18) HG2 PRO 57 - HB2 PRO 33 OK 29 47 - 62 - ~11514=8, ~9793=8...(23) HB3 LYS 24 - HB2 PRO 33 OK 29 56 - 52 - ~10894=6, ~11372=5...(27) HB3 ARG 145 - HB3 LYS 34 lone 8 100 - 8 - HB3 MET 59 - HB3 LYS 34 lone 5 62 - 9 - 4.8/8327=2, ~10522=1 HB2 ARG 124 - HB2 PRO 33 lone 4 47 - 9 - 3.0/10799=2, ~9791=1 HD3 LYS 86 - HB2 PRO 33 lone 4 50 - 7 - 6168/4.3=2 HG LEU 72 - HB2 PRO 33 lone 3 50 - 6 - ~9952=1 HB3 ARG 145 - HB2 PRO 33 lone 1 59 - 1 - HB3 MET 59 - HB2 PRO 33 lone 1 30 - 2 - Peak 512 from cnoeabs.peaks (3.05, 2.03, 31.79 ppm; 6.80 A): 4 out of 20 assignments used, quality = 1.00: * HE2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 4.6=100 HE3 LYS 34 + HB3 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB3 LYS 34 OK 87 89 - 98 - 502/1.8=11, ~502=10...(64) HE2 LYS 86 + HB3 LYS 34 OK 84 85 - 99 - 502/1.8=11, ~502=10...(70) HE2 LYS 34 - HB2 PRO 33 OK 42 60 - 70 - 3.7/529=14, 3.7/518=14...(12) HE3 LYS 34 - HB2 PRO 33 OK 40 57 - 71 - 3.7/529=14, 3.7/518=14...(12) HB2 TYR 27 - HB3 LYS 34 OK 40 98 - 41 - ~11170=17, ~10807=6...(9) HB2 TYR 27 - HB2 PRO 33 OK 16 56 - 28 - 11367/3.0=11, ~11368=9...(5) HB2 HIS 10 - HB3 LYS 34 OK 15 100 - 15 - 3.0/10799=4, 501/1.8=3 HB2 PHE 67 - HB3 LYS 34 OK 11 72 - 16 - 8118/8120=3, 501/1.8=3...(5) HE3 LYS 86 - HB2 PRO 33 poor 9 47 - 19 - 6171/4.3=7, ~8446=2...(6) HB2 PHE 67 - HB2 PRO 33 poor 9 36 - 25 - ~8417=5, 10611/2.3=5...(8) HE2 LYS 86 - HB2 PRO 33 poor 9 45 - 19 - 6171/4.3=7, ~8446=2...(7) HB3 ASP 30 - HB3 LYS 34 lone 5 72 - 7 - 6171/4.1=1 HB3 TRP 88 - HB3 LYS 34 lone 5 72 - 7 - 11572/8898=1 HB3 ASP 65 - HB3 LYS 34 lone 4 72 - 5 - HB2 HIS 10 - HB2 PRO 33 lone 4 58 - 7 - 10611/2.3=1 HB3 ASP 65 - HB2 PRO 33 lone 2 36 - 6 - 10611/2.3=1 HB3 ASP 30 - HB2 PRO 33 lone 2 36 - 5 - 6171/4.3=1 HB3 TRP 88 - HB2 PRO 33 lone 1 36 - 4 - Peak 513 from cnoeabs.peaks (3.06, 2.03, 31.79 ppm; 6.80 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 4.6=100 HE2 LYS 34 + HB3 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB3 LYS 34 OK 96 98 - 98 - 502/1.8=11, ~502=10...(64) HE2 LYS 86 + HB3 LYS 34 OK 95 96 - 99 - 502/1.8=11, ~502=10...(70) HE3 LYS 34 - HB2 PRO 33 OK 42 60 - 71 - 3.7/529=14, 3.7/518=14...(12) HB2 TYR 27 - HB3 LYS 34 OK 41 100 - 41 - ~11170=17, ~10807=6...(9) HE2 LYS 34 - HB2 PRO 33 OK 40 57 - 70 - 3.7/529=14, 3.7/518=14...(12) HB2 TYR 27 - HB2 PRO 33 OK 17 59 - 29 - 11367/3.0=11, ~11368=9...(5) HB2 HIS 10 - HB3 LYS 34 OK 14 94 - 15 - 3.0/10799=4, 502/1.8=3 HE3 LYS 86 - HB2 PRO 33 OK 11 56 - 20 - 6171/4.3=7, 8446/1.8=2...(7) HE2 LYS 86 - HB2 PRO 33 OK 11 54 - 20 - 6171/4.3=7, 8446/1.8=2...(7) HB3 TRP 88 - HB3 LYS 34 lone 7 89 - 7 - 11572/8898=2 HB3 ASP 30 - HB3 LYS 34 lone 6 89 - 7 - 6171/4.1=1 HB2 HIS 10 - HB2 PRO 33 lone 3 52 - 6 - 10611/2.3=1 HB3 ASP 30 - HB2 PRO 33 lone 2 47 - 5 - 6171/4.3=1 HB3 TRP 88 - HB2 PRO 33 lone 2 47 - 4 - Peak 515 from cnoeabs.peaks (8.89, 1.50, 25.32 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.94: * H LYS 34 + HG2 LYS 34 OK 92 100 - 92 - 5.0=33, 526/1.8=27...(32) H ASN 84 + HG2 LYS 34 OK 28 98 - 29 - 526/1.8=8, 493/2.9=5...(9) Peak 516 from cnoeabs.peaks (4.07, 1.50, 25.32 ppm; 3.33 A): 2 out of 7 assignments used, quality = 0.97: * HA LYS 34 + HG2 LYS 34 OK 94 100 - 94 - 4.0=59, 3.0/515=19...(34) HA LEU 26 + HG2 LYS 34 OK 49 100 - 49 - 486=9, 527/1.8=6...(16) HA GLU 90 - HG2 LYS 34 OK 41 100 - 41 - 2909/2.9=9, 527/1.8=7...(15) HA LYS 24 - HG2 LYS 34 OK 31 68 - 45 - 11319/1.8=5, ~11324=4...(19) HD3 PRO 118 - HG2 LYS 34 OK 17 89 - 20 - 527/1.8=2, ~10522=2...(9) HA LEU 132 - HG2 LYS 34 OK 14 100 - 14 - 2.8/10425=3, 527/1.8=2...(4) HA VAL 53 - HG2 LYS 34 OK 13 96 - 13 - 527/1.8=2, 494/2.9=2...(4) Peak 517 from cnoeabs.peaks (1.96, 1.50, 25.32 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 2.9=100 HB3 PRO 98 + HG2 LYS 34 OK 55 77 - 71 - 528/1.8=8, ~9131=8...(43) HB3 MET 11 - HG2 LYS 34 OK 41 100 - 41 - 528/1.8=6, 497=4...(20) HB3 ARG 124 - HG2 LYS 34 OK 28 81 - 35 - 528/1.8=4, ~10799=3...(16) HB2 LYS 61 - HG2 LYS 34 OK 18 96 - 18 - 528/1.8=3, ~10968=1...(7) HB ILE 56 - HG2 LYS 34 OK 13 92 - 14 - 528/1.8=2 HB3 GLU 75 - HG2 LYS 34 lone 3 72 - 4 - Peak 518 from cnoeabs.peaks (2.03, 1.50, 25.32 ppm; 3.65 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 2.9=100 HB2 PRO 33 + HG2 LYS 34 OK 81 92 - 88 - 4.3/515=16, 2.3/10997=14...(43) HB2 GLU 90 + HG2 LYS 34 OK 57 98 - 58 - 529/1.8=7, 3.0/516=6...(27) HG2 PRO 98 + HG2 LYS 34 OK 55 68 - 82 - ~9131=13, 2.3/9138=11...(42) Peak 519 from cnoeabs.peaks (1.50, 1.50, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 34 + HG2 LYS 34 OK 100 100 - 100 Peak 520 from cnoeabs.peaks (1.63, 1.50, 25.32 ppm; 2.52 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 1.8=100 HB3 LEU 26 - HG2 LYS 34 OK 31 94 - 33 - 3.0/486=3, ~10968=3...(16) HD2 LYS 24 - HG2 LYS 34 OK 21 100 - 21 - 498/2.9=2, 542/2.9=2...(11) HB3 LEU 64 - HG2 LYS 34 OK 15 77 - 19 - 3.2/10626=3, 498/2.9=2...(8) HB2 LEU 87 - HG2 LYS 34 OK 12 72 - 17 - 498/2.9=2, 487/4.0=1...(5) HG3 ARG 49 - HG2 LYS 34 lone 3 68 - 4 - HG3 ARG 144 - HG2 LYS 34 lone 1 77 - 1 - Peak 521 from cnoeabs.peaks (1.79, 1.50, 25.32 ppm; 2.80 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 34 + HG2 LYS 34 OK 98 100 - 98 - 2.9=89, 1.8/552=11...(47) HD3 LYS 34 + HG2 LYS 34 OK 98 100 - 98 - 2.9=89, 1.8/541=11...(47) HB3 LYS 24 + HG2 LYS 34 OK 45 98 - 46 - 10885/2.9=5, 10885/2.9=5...(20) HD3 LYS 86 - HG2 LYS 34 OK 43 92 - 47 - 532/1.8=5, 3.0/524=3...(22) HG2 PRO 57 - HG2 LYS 34 OK 29 89 - 33 - 533/1.8=3, ~530=3...(17) HB2 ARG 124 - HG2 LYS 34 OK 21 89 - 23 - 1.8/517=3, ~10799=2...(8) HG LEU 72 - HG2 LYS 34 OK 16 92 - 18 - 532/1.8=2, 2136/2.9=1...(4) HB3 ARG 145 - HG2 LYS 34 lone 4 100 - 4 - HB3 MET 59 - HG2 LYS 34 lone 2 62 - 4 - Peak 522 from cnoeabs.peaks (1.79, 1.50, 25.32 ppm; 2.80 A): 3 out of 9 assignments used, quality = 1.00: HD2 LYS 34 + HG2 LYS 34 OK 98 100 - 98 - 2.9=89, 1.8/552=11...(47) * HD3 LYS 34 + HG2 LYS 34 OK 98 100 - 98 - 2.9=89, 1.8/541=11...(47) HB3 LYS 24 + HG2 LYS 34 OK 45 98 - 46 - 10885/2.9=5, 10885/2.9=5...(20) HD3 LYS 86 - HG2 LYS 34 OK 43 92 - 47 - 532/1.8=5, 3.0/524=3...(22) HG2 PRO 57 - HG2 LYS 34 OK 29 89 - 33 - 533/1.8=3, ~530=3...(17) HB2 ARG 124 - HG2 LYS 34 OK 21 89 - 23 - 1.8/517=3, ~10799=2...(8) HG LEU 72 - HG2 LYS 34 OK 16 92 - 18 - 532/1.8=2, 2136/2.9=1...(4) HB3 ARG 145 - HG2 LYS 34 lone 4 100 - 4 - HB3 MET 59 - HG2 LYS 34 lone 2 62 - 4 - Peak 523 from cnoeabs.peaks (3.05, 1.50, 25.32 ppm; 4.01 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 3.7=100 HE3 LYS 34 + HG2 LYS 34 OK 99 99 - 100 - 3.7=100 HE3 LYS 86 + HG2 LYS 34 OK 72 89 - 82 - 535/1.8=8, 3.0/521=6...(53) HE2 LYS 86 + HG2 LYS 34 OK 71 85 - 83 - 535/1.8=9, 3.0/521=6...(58) HB2 TYR 27 - HG2 LYS 34 OK 20 98 - 20 - 2.6/11170=9, ~10807=2...(7) HB2 PHE 67 - HG2 LYS 34 OK 16 72 - 22 - 4.4/9795=9, 4.4/10802=5...(5) HB2 HIS 10 - HG2 LYS 34 lone 6 100 - 6 - 501/2.9=1 HB3 ASP 30 - HG2 LYS 34 lone 4 72 - 6 - 3.8/11171=3 HB3 TRP 88 - HG2 LYS 34 lone 3 72 - 5 - 4.2/11170=1 HB3 ASP 65 - HG2 LYS 34 lone 2 72 - 3 - Peak 524 from cnoeabs.peaks (3.06, 1.50, 25.32 ppm; 4.01 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 3.7=100 HE2 LYS 34 + HG2 LYS 34 OK 99 99 - 100 - 3.7=100 HE2 LYS 86 + HG2 LYS 34 OK 80 96 - 84 - 535/1.8=9, 3.0/521=6...(59) HE3 LYS 86 + HG2 LYS 34 OK 80 98 - 82 - 535/1.8=9, 574=6...(54) HB2 TYR 27 - HG2 LYS 34 OK 21 100 - 21 - 2.6/11170=9, ~10807=2...(7) HB2 HIS 10 - HG2 LYS 34 lone 6 94 - 6 - 501/2.9=1 HB3 ASP 30 - HG2 LYS 34 lone 5 89 - 6 - 3.8/11171=3 HB3 TRP 88 - HG2 LYS 34 lone 5 89 - 6 - 4.2/11170=1, 11014/11170=1 Peak 526 from cnoeabs.peaks (8.89, 1.63, 25.32 ppm; 3.49 A): 2 out of 2 assignments used, quality = 0.94: * H LYS 34 + HG3 LYS 34 OK 92 100 - 92 - 5.0=34, 515/1.8=28...(29) H ASN 84 + HG3 LYS 34 OK 27 98 - 27 - 515/1.8=9, 493/2.9=5...(7) Peak 527 from cnoeabs.peaks (4.07, 1.63, 25.32 ppm; 3.60 A): 3 out of 7 assignments used, quality = 0.99: * HA LYS 34 + HG3 LYS 34 OK 98 100 - 98 - 4.0=75, 486/1.8=26...(34) HA LEU 26 + HG3 LYS 34 OK 57 100 - 57 - 516/1.8=8, 3.0/10968=7...(19) HA GLU 90 + HG3 LYS 34 OK 50 100 - 50 - 2909/2.9=10, 516/1.8=8...(17) HA LYS 24 - HG3 LYS 34 OK 36 68 - 53 - 3.0/11324=8, 11319=7...(22) HD3 PRO 118 - HG3 LYS 34 OK 21 89 - 23 - 3.0/10522=4, 516/1.8=3...(11) HA VAL 53 - HG3 LYS 34 OK 14 96 - 15 - 516/1.8=2, 494/2.9=2...(5) HA LEU 132 - HG3 LYS 34 OK 14 100 - 14 - 516/1.8=3, ~10425=3...(4) Peak 528 from cnoeabs.peaks (1.96, 1.63, 25.32 ppm; 3.23 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 2.9=100 HB3 PRO 98 + HG3 LYS 34 OK 57 77 - 74 - 3.0/9131=13, 517/1.8=8...(46) HB3 MET 11 - HG3 LYS 34 OK 40 100 - 41 - 517/1.8=6, 498=4...(20) HB3 ARG 124 - HG3 LYS 34 OK 28 81 - 35 - 517/1.8=4, ~10799=3...(15) HB2 LYS 61 - HG3 LYS 34 OK 18 96 - 19 - 517/1.8=3, 1.8/10968=2...(6) HB ILE 56 - HG3 LYS 34 OK 13 92 - 14 - 517/1.8=2 HB3 GLU 75 - HG3 LYS 34 lone 3 72 - 4 - Peak 529 from cnoeabs.peaks (2.03, 1.63, 25.32 ppm; 3.69 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 2.9=100 HB2 PRO 33 + HG3 LYS 34 OK 83 92 - 90 - 4.3/526=16, 2.3/10995=12...(44) HB2 GLU 90 + HG3 LYS 34 OK 58 98 - 59 - 3.0/11492=7, 518/1.8=7...(26) HG2 PRO 98 + HG3 LYS 34 OK 57 68 - 85 - 2.3/9131=19, 1.8/10968=9...(45) Peak 530 from cnoeabs.peaks (1.50, 1.63, 25.32 ppm; 2.57 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 1.8=100 HG13 ILE 101 - HG3 LYS 34 OK 32 89 - 37 - 2.1/10178=4, 10180/2.9=3...(19) HB2 GLU 122 - HG3 LYS 34 OK 12 85 - 14 - 1.8/528=2, 497/2.9=1...(4) HD3 LYS 114 - HG3 LYS 34 poor 10 94 - 10 - ~3794=1 HB3 LEU 29 - HG3 LYS 34 lone 6 77 - 8 - 497/2.9=1 Peak 531 from cnoeabs.peaks (1.63, 1.63, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 34 + HG3 LYS 34 OK 100 100 - 100 Peak 532 from cnoeabs.peaks (1.79, 1.63, 25.32 ppm; 2.74 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 34 + HG3 LYS 34 OK 97 100 - 97 - 2.9=84, 541/1.8=11...(46) HD3 LYS 34 + HG3 LYS 34 OK 97 100 - 97 - 2.9=84, 552/1.8=11...(46) HB3 LYS 24 - HG3 LYS 34 OK 44 98 - 45 - 1.8/10882=6, 10885/2.9=5...(17) HD3 LYS 86 - HG3 LYS 34 OK 42 92 - 46 - 521/1.8=5, 3.0/535=3...(20) HG2 PRO 57 - HG3 LYS 34 OK 29 89 - 33 - 1.8/530=6, 522/1.8=3...(14) HB2 ARG 124 - HG3 LYS 34 OK 19 89 - 21 - 1.8/528=3, ~10799=2...(7) HG LEU 72 - HG3 LYS 34 OK 16 92 - 18 - 521/1.8=2, 2136/2.9=1...(4) HB3 ARG 145 - HG3 LYS 34 lone 4 100 - 4 - HB3 MET 59 - HG3 LYS 34 lone 3 62 - 5 - 3.0/10522=1, 3.0/10522=1 Peak 533 from cnoeabs.peaks (1.79, 1.63, 25.32 ppm; 2.74 A): 2 out of 9 assignments used, quality = 1.00: HD2 LYS 34 + HG3 LYS 34 OK 97 100 - 97 - 2.9=84, 541/1.8=11...(46) * HD3 LYS 34 + HG3 LYS 34 OK 97 100 - 97 - 2.9=84, 552/1.8=11...(46) HB3 LYS 24 - HG3 LYS 34 OK 44 98 - 45 - 1.8/10882=6, 10885/2.9=5...(17) HD3 LYS 86 - HG3 LYS 34 OK 42 92 - 46 - 521/1.8=5, 3.0/535=3...(20) HG2 PRO 57 - HG3 LYS 34 OK 29 89 - 33 - 1.8/530=6, 522/1.8=3...(14) HB2 ARG 124 - HG3 LYS 34 OK 19 89 - 21 - 1.8/528=3, ~10799=2...(7) HG LEU 72 - HG3 LYS 34 OK 16 92 - 18 - 521/1.8=2, 2136/2.9=1...(4) HB3 ARG 145 - HG3 LYS 34 lone 4 100 - 4 - HB3 MET 59 - HG3 LYS 34 lone 3 62 - 5 - 3.0/10522=1, 3.0/10522=1 Peak 534 from cnoeabs.peaks (3.05, 1.63, 25.32 ppm; 3.97 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 3.7=100 HE3 LYS 34 + HG3 LYS 34 OK 99 99 - 100 - 3.7=100 HE3 LYS 86 + HG3 LYS 34 OK 72 89 - 81 - 524/1.8=8, 3.0/532=6...(53) HE2 LYS 86 + HG3 LYS 34 OK 70 85 - 82 - 524/1.8=8, 3.0/532=6...(58) HB2 TYR 27 - HG3 LYS 34 OK 21 98 - 21 - ~11170=7, 3.9/6091=3...(8) HB2 PHE 67 - HG3 LYS 34 OK 16 72 - 21 - 4.4/9798=16...(3) HB2 HIS 10 - HG3 LYS 34 lone 6 100 - 6 - 501/2.9=1 HB3 ASP 65 - HG3 LYS 34 lone 4 72 - 5 - 6666/9798=2 HB3 TRP 88 - HG3 LYS 34 lone 2 72 - 3 - HB3 ASP 30 - HG3 LYS 34 lone 2 72 - 3 - Peak 535 from cnoeabs.peaks (3.06, 1.63, 25.32 ppm; 3.97 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 3.7=100 HE2 LYS 34 + HG3 LYS 34 OK 99 99 - 100 - 3.7=100 HE2 LYS 86 + HG3 LYS 34 OK 80 96 - 83 - 524/1.8=8, 3.0/532=6...(59) HE3 LYS 86 + HG3 LYS 34 OK 79 98 - 81 - 524/1.8=8, 3.0/532=6...(54) HB2 TYR 27 - HG3 LYS 34 OK 21 100 - 21 - ~11170=7, 3.9/6091=3...(8) HB2 HIS 10 - HG3 LYS 34 lone 6 94 - 6 - 501/2.9=1 HB3 TRP 88 - HG3 LYS 34 lone 3 89 - 4 - HB3 ASP 30 - HG3 LYS 34 lone 3 89 - 3 - Peak 537 from cnoeabs.peaks (8.89, 1.79, 28.37 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 34 + HD2 LYS 34 OK 91 100 - 91 - 526/2.9=21, 515/2.9=21...(39) H LYS 34 + HD3 LYS 34 OK 91 100 - 91 - 526/2.9=21, 515/2.9=21...(39) H ASN 84 - HD2 LYS 34 OK 24 98 - 24 - 515/2.9=6, 526/2.9=6...(6) H ASN 84 - HD3 LYS 34 OK 24 98 - 24 - 515/2.9=6, 526/2.9=6...(6) Peak 538 from cnoeabs.peaks (4.07, 1.79, 28.37 ppm; 3.06 A): 2 out of 14 assignments used, quality = 0.99: HA LYS 34 + HD3 LYS 34 OK 89 100 - 89 - 4.7=27, 486/2.9=15...(46) * HA LYS 34 + HD2 LYS 34 OK 89 100 - 89 - 4.7=27, 486/2.9=15...(46) HA LEU 26 - HD2 LYS 34 OK 39 100 - 39 - 486/2.9=4, 488=4...(18) HA LEU 26 - HD3 LYS 34 OK 38 100 - 39 - 486/2.9=4, 527/2.9=4...(17) HA GLU 90 - HD2 LYS 34 OK 33 100 - 34 - 2909/3.4=6, 527/2.9=5...(11) HA GLU 90 - HD3 LYS 34 OK 33 100 - 34 - 2909/3.4=6, 527/2.9=5...(11) HA LYS 24 - HD2 LYS 34 OK 32 68 - 48 - 3.0/10880=9, 3.0/10885=7...(17) HA LYS 24 - HD3 LYS 34 OK 31 68 - 46 - 3.0/10885=5, ~10880=4...(18) HD3 PRO 118 - HD3 LYS 34 OK 13 89 - 15 - 3.0/10807=2, ~10807=2...(8) HD3 PRO 118 - HD2 LYS 34 OK 13 89 - 15 - 3.0/10807=2, ~10807=2...(7) HA VAL 53 - HD2 LYS 34 lone 8 96 - 8 - 494/3.4=1, 516/2.9=1...(4) HA LEU 132 - HD3 LYS 34 lone 8 100 - 8 - 516/2.9=2, 527/2.9=1...(4) HA LEU 132 - HD2 LYS 34 lone 8 100 - 8 - 516/2.9=2, 527/2.9=1...(4) HA VAL 53 - HD3 LYS 34 lone 8 96 - 8 - 494/3.4=1, 516/2.9=1...(4) Peak 539 from cnoeabs.peaks (1.96, 1.79, 28.37 ppm; 2.81 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 34 + HD2 LYS 34 OK 95 100 - 95 - 3.4=57, 500/1.8=9...(72) HB2 LYS 34 + HD3 LYS 34 OK 95 100 - 95 - 3.4=57, 499/1.8=9...(72) HB3 PRO 98 - HD2 LYS 34 OK 41 77 - 53 - 528/2.9=4, 517/2.9=4...(29) HB3 PRO 98 - HD3 LYS 34 OK 41 77 - 53 - 528/2.9=4, 517/2.9=4...(29) HB3 MET 11 - HD2 LYS 34 OK 27 100 - 27 - 517/2.9=3, 528/2.9=3...(11) HB3 MET 11 - HD3 LYS 34 OK 27 100 - 27 - 517/2.9=3, 528/2.9=3...(11) HB3 ARG 124 - HD2 LYS 34 OK 27 81 - 33 - 4215=3, 4215/1.8=2...(9) HB3 ARG 124 - HD3 LYS 34 OK 25 81 - 31 - 4215=2, 4215/1.8=2...(12) HB ILE 56 - HD2 LYS 34 OK 10 92 - 11 - 2.1/10621=1, 517/2.9=1 HB ILE 56 - HD3 LYS 34 OK 10 92 - 11 - 2.1/10621=1, 517/2.9=1 HB2 LYS 61 - HD3 LYS 34 poor 10 96 - 10 - 528/2.9=1, 517/2.9=1 HB2 LYS 61 - HD2 LYS 34 poor 10 96 - 10 - 528/2.9=1, 517/2.9=1 HB3 GLU 75 - HD2 LYS 34 lone 3 72 - 4 - HB3 GLU 75 - HD3 LYS 34 lone 3 72 - 4 - Peak 540 from cnoeabs.peaks (2.03, 1.79, 28.37 ppm; 3.14 A): 4 out of 8 assignments used, quality = 1.00: * HB3 LYS 34 + HD2 LYS 34 OK 99 100 - 99 - 3.4=80, 1.8/499=10...(81) HB3 LYS 34 + HD3 LYS 34 OK 99 100 - 99 - 3.4=80, 1.8/550=10...(81) HB2 PRO 33 + HD2 LYS 34 OK 65 92 - 71 - 518/2.9=6, 4.3/548=6...(41) HB2 PRO 33 + HD3 LYS 34 OK 65 92 - 71 - 518/2.9=6, 4.3/548=6...(41) HG2 PRO 98 - HD2 LYS 34 OK 44 68 - 66 - ~9131=6, ~9138=5...(46) HG2 PRO 98 - HD3 LYS 34 OK 44 68 - 66 - ~9131=6, ~9138=5...(46) HB2 GLU 90 - HD3 LYS 34 OK 41 98 - 42 - 518/2.9=4, 529/2.9=4...(21) HB2 GLU 90 - HD2 LYS 34 OK 41 98 - 42 - 518/2.9=4, 529/2.9=4...(21) Peak 541 from cnoeabs.peaks (1.50, 1.79, 28.37 ppm; 2.68 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 34 + HD2 LYS 34 OK 96 100 - 96 - 2.9=78, 1.8/532=11...(46) HG2 LYS 34 + HD3 LYS 34 OK 96 100 - 96 - 2.9=78, 521/1.8=10...(46) HG13 ILE 101 - HD2 LYS 34 OK 28 89 - 32 - 530/2.9=4, 10180/3.4=3...(15) HG13 ILE 101 - HD3 LYS 34 OK 28 89 - 31 - 530/2.9=4, 10180/3.4=3...(15) HB2 GLU 122 - HD3 LYS 34 OK 12 85 - 14 - 530/2.9=2, 497/3.4=1, 1.8/550=1 HB2 GLU 122 - HD2 LYS 34 OK 12 85 - 14 - 530/2.9=2, 497/3.4=1, 1.8/539=1 HD3 LYS 114 - HD3 LYS 34 lone 8 94 - 9 - 530/2.9=1 HD3 LYS 114 - HD2 LYS 34 lone 8 94 - 9 - 530/2.9=1 HB3 LEU 29 - HD2 LYS 34 lone 7 77 - 9 - HB3 LEU 29 - HD3 LYS 34 lone 7 77 - 8 - Peak 542 from cnoeabs.peaks (1.63, 1.79, 28.37 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.99: * HG3 LYS 34 + HD2 LYS 34 OK 91 100 - 91 - 2.9=63, 1.8/541=9...(42) HG3 LYS 34 + HD3 LYS 34 OK 91 100 - 91 - 2.9=63, 1.8/552=9...(41) HB3 LEU 26 - HD2 LYS 34 OK 28 94 - 30 - 520/2.9=3, 498/3.4=2...(10) HB3 LEU 26 - HD3 LYS 34 OK 28 94 - 29 - 520/2.9=3, 498/3.4=2...(10) HD2 LYS 24 - HD2 LYS 34 OK 25 100 - 26 - 3.7/10880=4, 3.0/10897=4...(10) HD2 LYS 24 - HD3 LYS 34 OK 23 100 - 23 - 3.0/10897=3, 520/2.9=3...(10) HB3 LEU 64 - HD3 LYS 34 OK 13 77 - 17 - 3.1/9879=3, 520/2.9=2...(5) HB3 LEU 64 - HD2 LYS 34 OK 13 77 - 17 - 3.1/9879=3, 520/2.9=2...(5) HB2 LEU 87 - HD2 LYS 34 poor 10 72 - 13 - 520/2.9=2, 498/3.4=2, 509/3.4=1 HB2 LEU 87 - HD3 LYS 34 poor 9 72 - 13 - 520/2.9=2, 498/3.4=2, 509/3.4=1 HG3 ARG 49 - HD2 LYS 34 lone 2 68 - 3 - HG3 ARG 49 - HD3 LYS 34 lone 2 68 - 3 - HG3 ARG 144 - HD2 LYS 34 lone 1 77 - 1 - HG3 ARG 144 - HD3 LYS 34 lone 1 77 - 1 - Peak 543 from cnoeabs.peaks (1.79, 1.79, 28.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 34 + HD3 LYS 34 OK 100 100 - 100 * HD2 LYS 34 + HD2 LYS 34 OK 100 100 - 100 Peak 544 from cnoeabs.peaks (1.79, 1.79, 28.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 34 + HD3 LYS 34 OK 100 100 - 100 HD2 LYS 34 + HD2 LYS 34 OK 100 100 - 100 Reference assignment not found: HD3 LYS 34 - HD2 LYS 34 Peak 545 from cnoeabs.peaks (3.05, 1.79, 28.37 ppm; 2.66 A): 8 out of 20 assignments used, quality = 1.00: * HE2 LYS 34 + HD2 LYS 34 OK 93 100 - 93 - 2.9=75, 563/2.9=7...(60) HE2 LYS 34 + HD3 LYS 34 OK 93 100 - 93 - 2.9=75, 563/2.9=7...(60) HE3 LYS 34 + HD2 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(57) HE3 LYS 34 + HD3 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(57) HE3 LYS 86 + HD3 LYS 34 OK 52 89 - 59 - 3.0/2732=5, 2765=4...(30) HE3 LYS 86 + HD2 LYS 34 OK 52 89 - 59 - 3.0/2732=4, 2765=4...(30) HE2 LYS 86 + HD3 LYS 34 OK 51 85 - 60 - 3.0/2732=5, 2765=4...(30) HE2 LYS 86 + HD2 LYS 34 OK 51 85 - 60 - 3.0/2732=4, 2765=4...(30) HB2 TYR 27 - HD2 LYS 34 lone 9 98 - 10 - ~11170=2 HB2 TYR 27 - HD3 LYS 34 lone 9 98 - 9 - ~11170=2 HB2 HIS 10 - HD3 LYS 34 lone 6 100 - 6 - 4.0/8099=2 HB2 HIS 10 - HD2 LYS 34 lone 5 100 - 5 - 4.0/8099=2 HB2 PHE 67 - HD2 LYS 34 lone 4 72 - 5 - 4.4/10800=3 HB2 PHE 67 - HD3 LYS 34 lone 4 72 - 5 - 4.4/10800=3 HB3 ASP 30 - HD2 LYS 34 lone 2 72 - 2 - HB3 ASP 30 - HD3 LYS 34 lone 2 72 - 2 - HB3 ASP 65 - HD3 LYS 34 lone 1 72 - 1 - HB3 ASP 65 - HD2 LYS 34 lone 1 72 - 1 - HB3 TRP 88 - HD2 LYS 34 lone 1 72 - 1 - HB3 TRP 88 - HD3 LYS 34 lone 1 72 - 1 - Peak 546 from cnoeabs.peaks (3.06, 1.79, 28.37 ppm; 2.66 A): 8 out of 16 assignments used, quality = 1.00: * HE3 LYS 34 + HD2 LYS 34 OK 93 100 - 93 - 2.9=75, 574/2.9=7...(57) HE3 LYS 34 + HD3 LYS 34 OK 93 100 - 93 - 2.9=75, 574/2.9=7...(57) HE2 LYS 34 + HD2 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(60) HE2 LYS 34 + HD3 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(60) HE2 LYS 86 + HD3 LYS 34 OK 59 96 - 61 - 2765=5, 3.0/2732=5...(30) HE2 LYS 86 + HD2 LYS 34 OK 59 96 - 61 - 2765=5, 3.0/2732=4...(30) HE3 LYS 86 + HD3 LYS 34 OK 58 98 - 59 - 3.0/2732=5, 2765=5...(30) HE3 LYS 86 + HD2 LYS 34 OK 58 98 - 59 - 2765=5, 3.0/2732=4...(30) HB2 TYR 27 - HD2 LYS 34 lone 10 100 - 10 - ~11170=2 HB2 TYR 27 - HD3 LYS 34 lone 9 100 - 9 - ~11170=2 HB2 HIS 10 - HD3 LYS 34 lone 5 94 - 6 - 4.0/8099=2 HB2 HIS 10 - HD2 LYS 34 lone 5 94 - 6 - 4.0/8099=2 HB3 ASP 30 - HD2 LYS 34 lone 2 89 - 2 - HB3 ASP 30 - HD3 LYS 34 lone 2 89 - 2 - HB3 TRP 88 - HD2 LYS 34 lone 1 89 - 1 - HB3 TRP 88 - HD3 LYS 34 lone 1 89 - 1 - Peak 547 from cnoeabs.peaks (7.31, 1.79, 28.37 ppm; 4.81 A): 2 out of 6 assignments used, quality = 0.97: * H ARG 35 + HD2 LYS 34 OK 84 100 - 84 - 6176/3.4=24, 6177/3.4=24...(10) H ARG 35 + HD3 LYS 34 OK 83 100 - 83 - 6176/3.4=24, 6177/3.4=24...(10) QD TYR 115 - HD2 LYS 34 OK 24 98 - 24 - 11171/2.9=5, 11172/3.4=3...(10) QD TYR 115 - HD3 LYS 34 OK 23 98 - 24 - 11171/2.9=5, 11172/3.4=3...(10) H ASP 30 - HD3 LYS 34 OK 23 100 - 23 - 11171/2.9=4, 11172/3.4=3...(7) H ASP 30 - HD2 LYS 34 OK 23 100 - 23 - 11171/2.9=4, 11172/3.4=3...(7) Peak 548 from cnoeabs.peaks (8.89, 1.79, 28.37 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.99: H LYS 34 + HD2 LYS 34 OK 91 100 - 91 - 526/2.9=21, 515/2.9=21...(39) * H LYS 34 + HD3 LYS 34 OK 91 100 - 91 - 526/2.9=21, 515/2.9=21...(39) H ASN 84 - HD2 LYS 34 OK 24 98 - 24 - 515/2.9=6, 526/2.9=6...(6) H ASN 84 - HD3 LYS 34 OK 24 98 - 24 - 515/2.9=6, 526/2.9=6...(6) Peak 549 from cnoeabs.peaks (4.07, 1.79, 28.37 ppm; 3.06 A): 2 out of 14 assignments used, quality = 0.99: * HA LYS 34 + HD3 LYS 34 OK 89 100 - 89 - 4.7=27, 486/2.9=15...(46) HA LYS 34 + HD2 LYS 34 OK 89 100 - 89 - 4.7=27, 486/2.9=15...(46) HA LEU 26 - HD2 LYS 34 OK 39 100 - 39 - 486/2.9=4, 488=4...(18) HA LEU 26 - HD3 LYS 34 OK 38 100 - 39 - 486/2.9=4, 527/2.9=4...(17) HA GLU 90 - HD2 LYS 34 OK 33 100 - 34 - 2909/3.4=6, 527/2.9=5...(11) HA GLU 90 - HD3 LYS 34 OK 33 100 - 34 - 2909/3.4=6, 527/2.9=5...(11) HA LYS 24 - HD2 LYS 34 OK 32 68 - 48 - 3.0/10880=9, 3.0/10885=7...(17) HA LYS 24 - HD3 LYS 34 OK 31 68 - 46 - 3.0/10885=5, ~10880=4...(18) HD3 PRO 118 - HD3 LYS 34 OK 13 89 - 15 - 3.0/10807=2, ~10807=2...(8) HD3 PRO 118 - HD2 LYS 34 OK 13 89 - 15 - 3.0/10807=2, ~10807=2...(7) HA VAL 53 - HD2 LYS 34 lone 8 96 - 8 - 494/3.4=1, 516/2.9=1...(4) HA LEU 132 - HD3 LYS 34 lone 8 100 - 8 - 516/2.9=2, 527/2.9=1...(4) HA LEU 132 - HD2 LYS 34 lone 8 100 - 8 - 516/2.9=2, 527/2.9=1...(4) HA VAL 53 - HD3 LYS 34 lone 8 96 - 8 - 494/3.4=1, 516/2.9=1...(4) Peak 550 from cnoeabs.peaks (1.96, 1.79, 28.37 ppm; 2.81 A): 2 out of 14 assignments used, quality = 1.00: HB2 LYS 34 + HD2 LYS 34 OK 95 100 - 95 - 3.4=57, 500/1.8=9...(72) * HB2 LYS 34 + HD3 LYS 34 OK 95 100 - 95 - 3.4=57, 499/1.8=9...(72) HB3 PRO 98 - HD2 LYS 34 OK 41 77 - 53 - 528/2.9=4, 517/2.9=4...(29) HB3 PRO 98 - HD3 LYS 34 OK 41 77 - 53 - 528/2.9=4, 517/2.9=4...(29) HB3 MET 11 - HD2 LYS 34 OK 27 100 - 27 - 517/2.9=3, 528/2.9=3...(11) HB3 MET 11 - HD3 LYS 34 OK 27 100 - 27 - 517/2.9=3, 528/2.9=3...(11) HB3 ARG 124 - HD2 LYS 34 OK 27 81 - 33 - 4215=3, 4215/1.8=2...(9) HB3 ARG 124 - HD3 LYS 34 OK 25 81 - 31 - 4215=2, 4215/1.8=2...(12) HB ILE 56 - HD2 LYS 34 OK 10 92 - 11 - 2.1/10621=1, 517/2.9=1 HB ILE 56 - HD3 LYS 34 OK 10 92 - 11 - 2.1/10621=1, 517/2.9=1 HB2 LYS 61 - HD3 LYS 34 poor 10 96 - 10 - 528/2.9=1, 517/2.9=1 HB2 LYS 61 - HD2 LYS 34 poor 10 96 - 10 - 528/2.9=1, 517/2.9=1 HB3 GLU 75 - HD2 LYS 34 lone 3 72 - 4 - HB3 GLU 75 - HD3 LYS 34 lone 3 72 - 4 - Peak 551 from cnoeabs.peaks (2.03, 1.79, 28.37 ppm; 3.14 A): 4 out of 8 assignments used, quality = 1.00: HB3 LYS 34 + HD2 LYS 34 OK 99 100 - 99 - 3.4=80, 1.8/499=10...(81) * HB3 LYS 34 + HD3 LYS 34 OK 99 100 - 99 - 3.4=80, 1.8/550=10...(81) HB2 PRO 33 + HD2 LYS 34 OK 65 92 - 71 - 518/2.9=6, 4.3/548=6...(41) HB2 PRO 33 + HD3 LYS 34 OK 65 92 - 71 - 518/2.9=6, 4.3/548=6...(41) HG2 PRO 98 - HD2 LYS 34 OK 44 68 - 66 - ~9131=6, ~9138=5...(46) HG2 PRO 98 - HD3 LYS 34 OK 44 68 - 66 - ~9131=6, ~9138=5...(46) HB2 GLU 90 - HD3 LYS 34 OK 41 98 - 42 - 518/2.9=4, 529/2.9=4...(21) HB2 GLU 90 - HD2 LYS 34 OK 41 98 - 42 - 518/2.9=4, 529/2.9=4...(21) Peak 552 from cnoeabs.peaks (1.50, 1.79, 28.37 ppm; 2.68 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 34 + HD2 LYS 34 OK 96 100 - 96 - 2.9=78, 1.8/532=11...(46) * HG2 LYS 34 + HD3 LYS 34 OK 96 100 - 96 - 2.9=78, 521/1.8=10...(46) HG13 ILE 101 - HD2 LYS 34 OK 28 89 - 32 - 530/2.9=4, 10180/3.4=3...(15) HG13 ILE 101 - HD3 LYS 34 OK 28 89 - 31 - 530/2.9=4, 10180/3.4=3...(15) HB2 GLU 122 - HD3 LYS 34 OK 12 85 - 14 - 530/2.9=2, 497/3.4=1, 1.8/550=1 HB2 GLU 122 - HD2 LYS 34 OK 12 85 - 14 - 530/2.9=2, 497/3.4=1, 1.8/539=1 HD3 LYS 114 - HD3 LYS 34 lone 8 94 - 9 - 530/2.9=1 HD3 LYS 114 - HD2 LYS 34 lone 8 94 - 9 - 530/2.9=1 HB3 LEU 29 - HD2 LYS 34 lone 7 77 - 9 - HB3 LEU 29 - HD3 LYS 34 lone 7 77 - 8 - Peak 553 from cnoeabs.peaks (1.63, 1.79, 28.37 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.99: HG3 LYS 34 + HD2 LYS 34 OK 91 100 - 91 - 2.9=63, 1.8/541=9...(42) * HG3 LYS 34 + HD3 LYS 34 OK 91 100 - 91 - 2.9=63, 1.8/552=9...(41) HB3 LEU 26 - HD2 LYS 34 OK 28 94 - 30 - 520/2.9=3, 498/3.4=2...(10) HB3 LEU 26 - HD3 LYS 34 OK 28 94 - 29 - 520/2.9=3, 498/3.4=2...(10) HD2 LYS 24 - HD2 LYS 34 OK 25 100 - 26 - 3.7/10880=4, 3.0/10897=4...(10) HD2 LYS 24 - HD3 LYS 34 OK 23 100 - 23 - 3.0/10897=3, 520/2.9=3...(10) HB3 LEU 64 - HD3 LYS 34 OK 13 77 - 17 - 3.1/9879=3, 520/2.9=2...(5) HB3 LEU 64 - HD2 LYS 34 OK 13 77 - 17 - 3.1/9879=3, 520/2.9=2...(5) HB2 LEU 87 - HD2 LYS 34 poor 10 72 - 13 - 520/2.9=2, 498/3.4=2, 509/3.4=1 HB2 LEU 87 - HD3 LYS 34 poor 9 72 - 13 - 520/2.9=2, 498/3.4=2, 509/3.4=1 HG3 ARG 49 - HD2 LYS 34 lone 2 68 - 3 - HG3 ARG 49 - HD3 LYS 34 lone 2 68 - 3 - HG3 ARG 144 - HD2 LYS 34 lone 1 77 - 1 - HG3 ARG 144 - HD3 LYS 34 lone 1 77 - 1 - Peak 554 from cnoeabs.peaks (1.79, 1.79, 28.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 34 + HD3 LYS 34 OK 100 100 - 100 HD2 LYS 34 + HD2 LYS 34 OK 100 100 - 100 Reference assignment not found: HD2 LYS 34 - HD3 LYS 34 Peak 555 from cnoeabs.peaks (1.79, 1.79, 28.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 34 + HD3 LYS 34 OK 100 100 - 100 HD2 LYS 34 + HD2 LYS 34 OK 100 100 - 100 Peak 556 from cnoeabs.peaks (3.05, 1.79, 28.37 ppm; 2.66 A): 8 out of 20 assignments used, quality = 1.00: HE2 LYS 34 + HD2 LYS 34 OK 93 100 - 93 - 2.9=75, 563/2.9=7...(60) * HE2 LYS 34 + HD3 LYS 34 OK 93 100 - 93 - 2.9=75, 563/2.9=7...(60) HE3 LYS 34 + HD2 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(57) HE3 LYS 34 + HD3 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(57) HE3 LYS 86 + HD3 LYS 34 OK 52 89 - 59 - 3.0/2732=5, 2765=4...(30) HE3 LYS 86 + HD2 LYS 34 OK 52 89 - 59 - 3.0/2732=4, 2765=4...(30) HE2 LYS 86 + HD3 LYS 34 OK 51 85 - 60 - 3.0/2732=5, 2765=4...(30) HE2 LYS 86 + HD2 LYS 34 OK 51 85 - 60 - 3.0/2732=4, 2765=4...(30) HB2 TYR 27 - HD2 LYS 34 lone 9 98 - 10 - ~11170=2 HB2 TYR 27 - HD3 LYS 34 lone 9 98 - 9 - ~11170=2 HB2 HIS 10 - HD3 LYS 34 lone 6 100 - 6 - 4.0/8099=2 HB2 HIS 10 - HD2 LYS 34 lone 5 100 - 5 - 4.0/8099=2 HB2 PHE 67 - HD2 LYS 34 lone 4 72 - 5 - 4.4/10800=3 HB2 PHE 67 - HD3 LYS 34 lone 4 72 - 5 - 4.4/10800=3 HB3 ASP 30 - HD2 LYS 34 lone 2 72 - 2 - HB3 ASP 30 - HD3 LYS 34 lone 2 72 - 2 - HB3 ASP 65 - HD3 LYS 34 lone 1 72 - 1 - HB3 ASP 65 - HD2 LYS 34 lone 1 72 - 1 - HB3 TRP 88 - HD2 LYS 34 lone 1 72 - 1 - HB3 TRP 88 - HD3 LYS 34 lone 1 72 - 1 - Peak 557 from cnoeabs.peaks (3.06, 1.79, 28.37 ppm; 2.66 A): 8 out of 16 assignments used, quality = 1.00: HE3 LYS 34 + HD2 LYS 34 OK 93 100 - 93 - 2.9=75, 574/2.9=7...(57) * HE3 LYS 34 + HD3 LYS 34 OK 93 100 - 93 - 2.9=75, 574/2.9=7...(57) HE2 LYS 34 + HD2 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(60) HE2 LYS 34 + HD3 LYS 34 OK 92 99 - 93 - 2.9=75, 574/2.9=7...(60) HE2 LYS 86 + HD3 LYS 34 OK 59 96 - 61 - 2765=5, 3.0/2732=5...(30) HE2 LYS 86 + HD2 LYS 34 OK 59 96 - 61 - 2765=5, 3.0/2732=4...(30) HE3 LYS 86 + HD3 LYS 34 OK 58 98 - 59 - 3.0/2732=5, 2765=5...(30) HE3 LYS 86 + HD2 LYS 34 OK 58 98 - 59 - 2765=5, 3.0/2732=4...(30) HB2 TYR 27 - HD2 LYS 34 lone 10 100 - 10 - ~11170=2 HB2 TYR 27 - HD3 LYS 34 lone 9 100 - 9 - ~11170=2 HB2 HIS 10 - HD3 LYS 34 lone 5 94 - 6 - 4.0/8099=2 HB2 HIS 10 - HD2 LYS 34 lone 5 94 - 6 - 4.0/8099=2 HB3 ASP 30 - HD2 LYS 34 lone 2 89 - 2 - HB3 ASP 30 - HD3 LYS 34 lone 2 89 - 2 - HB3 TRP 88 - HD2 LYS 34 lone 1 89 - 1 - HB3 TRP 88 - HD3 LYS 34 lone 1 89 - 1 - Peak 558 from cnoeabs.peaks (7.31, 1.79, 28.37 ppm; 4.81 A): 2 out of 6 assignments used, quality = 0.97: H ARG 35 + HD2 LYS 34 OK 84 100 - 84 - 6176/3.4=24, 6177/3.4=24...(10) * H ARG 35 + HD3 LYS 34 OK 83 100 - 83 - 6176/3.4=24, 6177/3.4=24...(10) QD TYR 115 - HD2 LYS 34 OK 24 98 - 24 - 11171/2.9=5, 11172/3.4=3...(10) QD TYR 115 - HD3 LYS 34 OK 23 98 - 24 - 11171/2.9=5, 11172/3.4=3...(10) H ASP 30 - HD3 LYS 34 OK 23 100 - 23 - 11171/2.9=4, 11172/3.4=3...(7) H ASP 30 - HD2 LYS 34 OK 23 100 - 23 - 11171/2.9=4, 11172/3.4=3...(7) Peak 560 from cnoeabs.peaks (4.07, 3.05, 41.80 ppm; 4.54 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 34 + HE2 LYS 34 OK 96 100 - 96 - 6.2=40, 486/3.7=24...(36) HA LYS 34 + HE3 LYS 34 OK 92 96 - 96 - 6.2=40, 486/3.7=24...(36) HA LEU 26 + HE2 LYS 34 OK 56 100 - 57 - 10567=11, 10567/1.8=9...(18) HA LEU 26 + HE3 LYS 34 OK 52 94 - 56 - 10567=11, 10567/1.8=9...(17) HA GLU 90 - HE2 LYS 34 OK 44 100 - 44 - 2909/4.6=9, 527/3.7=8...(14) HA GLU 90 - HE3 LYS 34 OK 42 94 - 44 - 2909/4.6=9, 527/3.7=8...(15) HA LYS 24 - HE2 LYS 34 OK 32 68 - 48 - 11314=8, ~10880=7...(16) HA LYS 24 - HE3 LYS 34 OK 29 60 - 48 - 11314=8, ~10880=7...(16) HD3 PRO 118 - HE2 LYS 34 OK 16 89 - 18 - ~10807=3, 516/3.7=2...(9) HD3 PRO 118 - HE3 LYS 34 OK 15 81 - 18 - ~10807=3, 516/3.7=2...(9) HA VAL 53 - HE2 LYS 34 OK 13 96 - 13 - 494/4.6=2, 516/3.7=2...(6) HA LEU 132 - HE2 LYS 34 OK 12 100 - 12 - 516/3.7=2, 527/3.7=2...(6) HA VAL 53 - HE3 LYS 34 OK 12 90 - 13 - 494/4.6=2, 516/3.7=2...(6) HA LEU 132 - HE3 LYS 34 OK 11 94 - 11 - 516/3.7=2, 527/3.7=2...(6) Peak 561 from cnoeabs.peaks (1.96, 3.05, 41.80 ppm; 3.73 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 34 + HE2 LYS 34 OK 98 100 - 98 - 4.6=53, 2.9/563=13...(76) HB2 LYS 34 + HE3 LYS 34 OK 94 96 - 98 - 4.6=53, 2.9/563=13...(74) HB3 PRO 98 - HE2 LYS 34 OK 25 77 - 33 - 528/3.7=6, 517/3.7=6...(13) HB3 MET 11 - HE2 LYS 34 OK 24 100 - 24 - 517/3.7=5, 528/3.7=5...(9) HB3 MET 11 - HE3 LYS 34 OK 23 95 - 24 - 517/3.7=5, 528/3.7=5...(9) HB3 PRO 98 - HE3 LYS 34 OK 23 70 - 32 - 528/3.7=6, 517/3.7=6...(13) HB3 ARG 124 - HE2 LYS 34 OK 19 81 - 23 - 517/3.7=3, 528/3.7=3...(11) HB3 ARG 124 - HE3 LYS 34 OK 17 74 - 23 - 517/3.7=3, 528/3.7=3...(11) HB2 LYS 61 - HE2 LYS 34 lone 9 96 - 9 - 528/3.7=2, 517/3.7=2...(5) HB2 LYS 61 - HE3 LYS 34 lone 8 90 - 9 - 528/3.7=2, 517/3.7=2...(5) HB ILE 56 - HE2 LYS 34 lone 8 92 - 8 - 517/3.7=1, 528/3.7=1...(4) HB ILE 56 - HE3 LYS 34 lone 7 84 - 8 - 517/3.7=1, 528/3.7=1...(4) HB3 GLU 75 - HE2 LYS 34 lone 2 72 - 3 - HB3 GLU 75 - HE3 LYS 34 lone 2 65 - 3 - Peak 562 from cnoeabs.peaks (2.03, 3.05, 41.80 ppm; 4.42 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 34 + HE2 LYS 34 OK 100 100 - 100 - 4.6=88, 2.9/563=17...(80) HB3 LYS 34 + HE3 LYS 34 OK 96 96 - 100 - 4.6=88, 2.9/563=16...(79) HB2 PRO 33 + HE2 LYS 34 OK 47 92 - 51 - 518/3.7=9, 529/3.7=9...(12) HB2 PRO 33 - HE3 LYS 34 OK 44 84 - 52 - 518/3.7=9, 529/3.7=9...(12) HB2 GLU 90 - HE2 LYS 34 OK 37 98 - 37 - 518/3.7=6, 529/3.7=6...(15) HB2 GLU 90 - HE3 LYS 34 OK 34 92 - 37 - 518/3.7=6, 529/3.7=6...(15) HG2 PRO 98 - HE2 LYS 34 OK 27 68 - 40 - 529/3.7=6, 518/3.7=6...(15) HG2 PRO 98 - HE3 LYS 34 OK 24 60 - 39 - 529/3.7=6, 518/3.7=6...(15) Peak 563 from cnoeabs.peaks (1.50, 3.05, 41.80 ppm; 3.06 A): 2 out of 10 assignments used, quality = 0.99: * HG2 LYS 34 + HE2 LYS 34 OK 93 100 - 93 - 3.7=56, 552/2.9=9...(61) HG2 LYS 34 + HE3 LYS 34 OK 89 96 - 93 - 3.7=56, 552/2.9=9...(59) HG13 ILE 101 - HE2 LYS 34 OK 15 89 - 17 - 530/3.7=4, 10180/4.6=3...(6) HG13 ILE 101 - HE3 LYS 34 OK 13 81 - 17 - 530/3.7=4, 10180/4.6=3...(6) HB2 GLU 122 - HE2 LYS 34 lone 8 85 - 9 - 530/3.7=2, 541/2.9=1...(4) HB2 GLU 122 - HE3 LYS 34 lone 7 78 - 9 - 530/3.7=2, 541/2.9=1...(4) HD3 LYS 114 - HE2 LYS 34 lone 5 94 - 5 - 530/3.7=1 HB3 LEU 29 - HE2 LYS 34 lone 5 77 - 6 - HD3 LYS 114 - HE3 LYS 34 lone 5 87 - 5 - 530/3.7=1 HB3 LEU 29 - HE3 LYS 34 lone 5 70 - 7 - Peak 564 from cnoeabs.peaks (1.63, 3.05, 41.80 ppm; 3.35 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 34 + HE2 LYS 34 OK 98 100 - 98 - 3.7=74, 1.8/563=15...(61) HG3 LYS 34 + HE3 LYS 34 OK 94 96 - 98 - 3.7=74, 1.8/563=14...(59) HB3 LEU 26 - HE2 LYS 34 OK 34 94 - 36 - 520/3.7=4, 3.0/10567=4...(14) HB3 LEU 26 - HE3 LYS 34 OK 31 87 - 36 - 520/3.7=4, 3.0/10567=4...(14) HD2 LYS 24 - HE2 LYS 34 OK 24 100 - 24 - 520/3.7=4, 542/2.9=3...(10) HD2 LYS 24 - HE3 LYS 34 OK 23 96 - 24 - 520/3.7=4, 542/2.9=3...(10) HB3 LEU 64 - HE2 LYS 34 OK 13 77 - 16 - 520/3.7=3, 498/4.6=2...(9) HB3 LEU 64 - HE3 LYS 34 OK 10 70 - 15 - 520/3.7=3, 498/4.6=2...(8) HB2 LEU 87 - HE2 LYS 34 poor 9 72 - 12 - 520/3.7=3, 498/4.6=2...(6) HB2 LEU 87 - HE3 LYS 34 poor 8 65 - 12 - 520/3.7=3, 498/4.6=2...(6) HG3 ARG 49 - HE2 LYS 34 lone 2 68 - 3 - HG3 ARG 49 - HE3 LYS 34 lone 2 60 - 3 - HG3 ARG 144 - HE2 LYS 34 lone 1 77 - 1 - HG3 ARG 144 - HE3 LYS 34 lone 1 70 - 1 - Peak 565 from cnoeabs.peaks (1.79, 3.05, 41.80 ppm; 2.50 A): 5 out of 18 assignments used, quality = 1.00: * HD2 LYS 34 + HE2 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/563=6...(50) HD3 LYS 34 + HE2 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/563=6...(50) HD2 LYS 34 + HE3 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/563=6...(50) HD3 LYS 34 + HE3 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/563=6...(50) HD3 LYS 86 + HE2 LYS 34 OK 49 92 - 53 - 2745=4, 2745/1.8=4...(27) HD3 LYS 86 - HE3 LYS 34 OK 42 84 - 50 - 2745=5, 1.8/2734=4...(25) HB3 LYS 24 - HE2 LYS 34 OK 24 98 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HB3 LYS 24 - HE3 LYS 34 OK 22 92 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HG2 PRO 57 - HE2 LYS 34 OK 16 89 - 19 - 1.8/563=2, 1533/3.7=1...(6) HG2 PRO 57 - HE3 LYS 34 OK 15 81 - 18 - 1.8/563=1, 1533/3.7=1...(6) HG LEU 72 - HE2 LYS 34 lone 9 92 - 10 - 2136/2.9=1 HB2 ARG 124 - HE2 LYS 34 lone 9 89 - 10 - HG LEU 72 - HE3 LYS 34 lone 8 84 - 10 - 2136/2.9=1 HB2 ARG 124 - HE3 LYS 34 lone 8 81 - 10 - HB3 ARG 145 - HE2 LYS 34 lone 3 100 - 2 - HB3 ARG 145 - HE3 LYS 34 lone 2 95 - 2 - HB3 MET 59 - HE2 LYS 34 lone 1 62 - 1 - HB3 MET 59 - HE3 LYS 34 lone 1 56 - 1 - Peak 566 from cnoeabs.peaks (1.79, 3.05, 41.80 ppm; 2.50 A): 5 out of 18 assignments used, quality = 1.00: HD2 LYS 34 + HE2 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/563=6...(50) * HD3 LYS 34 + HE2 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/563=6...(50) HD2 LYS 34 + HE3 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/563=6...(50) HD3 LYS 34 + HE3 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/563=6...(50) HD3 LYS 86 + HE2 LYS 34 OK 49 92 - 53 - 2745=4, 2745/1.8=4...(27) HD3 LYS 86 - HE3 LYS 34 OK 42 84 - 50 - 2745=5, 1.8/2734=4...(25) HB3 LYS 24 - HE2 LYS 34 OK 24 98 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HB3 LYS 24 - HE3 LYS 34 OK 22 92 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HG2 PRO 57 - HE2 LYS 34 OK 16 89 - 19 - 1.8/563=2, 1533/3.7=1...(6) HG2 PRO 57 - HE3 LYS 34 OK 15 81 - 18 - 1.8/563=1, 1533/3.7=1...(6) HG LEU 72 - HE2 LYS 34 lone 9 92 - 10 - 2136/2.9=1 HB2 ARG 124 - HE2 LYS 34 lone 9 89 - 10 - HG LEU 72 - HE3 LYS 34 lone 8 84 - 10 - 2136/2.9=1 HB2 ARG 124 - HE3 LYS 34 lone 8 81 - 10 - HB3 ARG 145 - HE2 LYS 34 lone 3 100 - 2 - HB3 ARG 145 - HE3 LYS 34 lone 2 95 - 2 - HB3 MET 59 - HE2 LYS 34 lone 1 62 - 1 - HB3 MET 59 - HE3 LYS 34 lone 1 56 - 1 - Peak 567 from cnoeabs.peaks (3.05, 3.05, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 34 + HE2 LYS 34 OK 100 100 - 100 HE3 LYS 34 + HE3 LYS 34 OK 93 93 - 100 Peak 568 from cnoeabs.peaks (3.06, 3.05, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 34 + HE2 LYS 34 OK 99 99 - 100 HE3 LYS 34 + HE3 LYS 34 OK 96 96 - 100 Reference assignment not found: HE3 LYS 34 - HE2 LYS 34 Peak 571 from cnoeabs.peaks (4.07, 3.06, 41.80 ppm; 4.34 A): 4 out of 21 assignments used, quality = 1.00: * HA LYS 34 + HE3 LYS 34 OK 95 100 - 95 - 6.2=35, 486/3.7=22...(36) HA LYS 34 + HE2 LYS 34 OK 91 96 - 95 - 6.2=35, 486/3.7=22...(36) HA LEU 26 + HE3 LYS 34 OK 52 100 - 53 - 10567=10, 10567/1.8=8...(17) HA LEU 26 + HE2 LYS 34 OK 49 94 - 52 - 10567=10, 10567/1.8=8...(17) HA GLU 90 - HE3 LYS 34 OK 42 100 - 42 - 2909/4.6=9, 527/3.7=7...(12) HA GLU 90 - HE2 LYS 34 OK 39 94 - 42 - 2909/4.6=9, 527/3.7=7...(12) HA LYS 24 - HE3 LYS 34 OK 30 68 - 45 - 11314=7, ~10880=7...(16) HA LYS 24 - HE2 LYS 34 OK 27 60 - 45 - 11314=8, ~10880=7...(16) HD3 PRO 118 - HE3 LYS 34 OK 15 89 - 17 - ~10807=3, 516/3.7=2...(9) HD3 PRO 118 - HE2 LYS 34 OK 14 81 - 17 - ~10807=3, 516/3.7=2...(9) HA VAL 53 - HE3 LYS 34 OK 12 96 - 12 - 516/3.7=2, 494/4.6=2...(6) HA LEU 132 - HE3 LYS 34 OK 11 100 - 11 - 516/3.7=2, 527/3.7=2...(6) HA VAL 53 - HE2 LYS 34 OK 11 90 - 12 - 516/3.7=2, 494/4.6=2...(6) HA LEU 132 - HE2 LYS 34 OK 10 94 - 11 - 516/3.7=2, 527/3.7=2...(6) HA LEU 26 - HB3 ASP 30 poor 6 47 - 12 - 3.6/6096=4, 4.9/285=3...(4) HA LYS 34 - HB3 ASP 30 lone 3 49 - 7 - 492/3.8=3 HA VAL 53 - HB3 ASP 30 lone 3 44 - 6 - ~10922=4 HA LEU 132 - HB3 ASP 30 lone 1 47 - 1 - HA GLU 90 - HB3 ASP 30 lone 1 47 - 1 - HD3 PRO 118 - HB3 ASP 30 lone 0 38 - 1 - HA LYS 24 - HB3 ASP 30 lone 0 26 - 2 - Peak 572 from cnoeabs.peaks (1.96, 3.06, 41.80 ppm; 3.47 A): 2 out of 21 assignments used, quality = 1.00: * HB2 LYS 34 + HE3 LYS 34 OK 96 100 - 96 - 4.6=42, 2.9/574=12...(74) HB2 LYS 34 + HE2 LYS 34 OK 92 96 - 96 - 4.6=42, 2.9/574=12...(76) HB3 PRO 98 - HE3 LYS 34 OK 22 77 - 29 - 528/3.7=5, 517/3.7=5...(11) HB3 MET 11 - HE3 LYS 34 OK 21 100 - 21 - 517/3.7=4, 528/3.7=4...(8) HB3 MET 11 - HE2 LYS 34 OK 20 95 - 21 - 517/3.7=4, 528/3.7=4...(8) HB3 PRO 98 - HE2 LYS 34 OK 20 70 - 29 - 528/3.7=5, 517/3.7=5...(12) HB3 ARG 124 - HE3 LYS 34 OK 17 81 - 20 - 517/3.7=3, 528/3.7=3...(9) HB3 ARG 124 - HE2 LYS 34 OK 15 74 - 20 - 517/3.7=3, 528/3.7=3...(9) HB2 LYS 61 - HE3 LYS 34 lone 8 96 - 8 - 528/3.7=2, 517/3.7=2...(4) HB2 LYS 61 - HE2 LYS 34 lone 7 90 - 8 - 528/3.7=2, 517/3.7=2...(4) HB ILE 56 - HE3 LYS 34 lone 7 92 - 7 - 517/3.7=1, 528/3.7=1 HB ILE 56 - HE2 LYS 34 lone 6 84 - 7 - 517/3.7=1, 528/3.7=1 HB3 GLU 75 - HE3 LYS 34 lone 2 72 - 2 - HB2 LYS 34 - HB3 ASP 30 lone 2 49 - 3 - 11172/3.8=1 HB3 GLU 75 - HE2 LYS 34 lone 2 65 - 2 - HB3 MET 11 - HB3 ASP 30 lone 0 48 - 1 - HB3 GLU 75 - HB3 ASP 30 lone 0 29 - 1 - HB2 LYS 61 - HB3 ASP 30 lone 0 44 - 0 - HB3 ARG 124 - HB3 ASP 30 lone 0 34 - 0 - HB ILE 56 - HB3 ASP 30 lone 0 40 - 0 - HB3 PRO 98 - HB3 ASP 30 lone 0 31 - 0 - Peak 573 from cnoeabs.peaks (2.03, 3.06, 41.80 ppm; 4.18 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 34 + HE3 LYS 34 OK 100 100 - 100 - 4.6=74, 2.9/574=16...(79) HB3 LYS 34 + HE2 LYS 34 OK 95 96 - 100 - 4.6=74, 2.9/574=15...(80) HB2 PRO 33 - HE3 LYS 34 OK 44 92 - 48 - 518/3.7=8, 529/3.7=8...(12) HB2 PRO 33 - HE2 LYS 34 OK 40 84 - 48 - 518/3.7=8, 529/3.7=8...(12) HB2 GLU 90 - HE3 LYS 34 OK 33 98 - 34 - 518/3.7=6, 529/3.7=6...(15) HB2 GLU 90 - HE2 LYS 34 OK 31 92 - 34 - 518/3.7=6, 529/3.7=6...(14) HG2 PRO 98 - HE3 LYS 34 OK 25 68 - 37 - 529/3.7=6, 518/3.7=6...(15) HG2 PRO 98 - HE2 LYS 34 OK 22 60 - 36 - 529/3.7=6, 518/3.7=6...(15) HB3 LYS 34 - HB3 ASP 30 lone 2 49 - 3 - HB2 PRO 33 - HB3 ASP 30 lone 1 40 - 2 - HB2 GLU 90 - HB3 ASP 30 lone 0 45 - 1 - HG2 PRO 98 - HB3 ASP 30 lone 0 26 - 1 - Peak 574 from cnoeabs.peaks (1.50, 3.06, 41.80 ppm; 2.93 A): 2 out of 15 assignments used, quality = 0.99: * HG2 LYS 34 + HE3 LYS 34 OK 91 100 - 91 - 3.7=50, 552/2.9=8...(59) HG2 LYS 34 + HE2 LYS 34 OK 87 96 - 91 - 3.7=50, 552/2.9=8...(60) HG13 ILE 101 - HE3 LYS 34 OK 13 89 - 15 - 530/3.7=4, 10180/4.6=3...(5) HG13 ILE 101 - HE2 LYS 34 OK 12 81 - 15 - 530/3.7=4, 10180/4.6=3...(5) HB2 GLU 122 - HE3 LYS 34 lone 7 85 - 8 - 530/3.7=1, 541/2.9=1, 541/2.9=1 HB2 GLU 122 - HE2 LYS 34 lone 7 78 - 8 - 530/3.7=1, 541/2.9=1, 541/2.9=1 HB3 LEU 29 - HE3 LYS 34 lone 5 77 - 6 - HD3 LYS 114 - HE3 LYS 34 lone 5 94 - 5 - 530/3.7=1 HD3 LYS 114 - HE2 LYS 34 lone 4 87 - 5 - 530/3.7=1 HB3 LEU 29 - HE2 LYS 34 lone 4 70 - 5 - HB3 LEU 29 - HB3 ASP 30 lone 2 31 - 7 - 6132/3.8=6, ~10536=1 HG2 LYS 34 - HB3 ASP 30 lone 1 49 - 3 - 11171/3.8=1 HD3 LYS 114 - HB3 ASP 30 lone 1 42 - 3 - 6132/3.8=2 HG13 ILE 101 - HB3 ASP 30 lone 0 38 - 1 - HB2 GLU 122 - HB3 ASP 30 lone 0 36 - 0 - Peak 575 from cnoeabs.peaks (1.63, 3.06, 41.80 ppm; 3.27 A): 2 out of 21 assignments used, quality = 1.00: * HG3 LYS 34 + HE3 LYS 34 OK 97 100 - 97 - 3.7=69, 1.8/574=15...(59) HG3 LYS 34 + HE2 LYS 34 OK 93 96 - 97 - 3.7=69, 1.8/574=14...(61) HB3 LEU 26 - HE3 LYS 34 OK 32 94 - 34 - 520/3.7=4, 3.0/10567=4...(14) HB3 LEU 26 - HE2 LYS 34 OK 29 87 - 33 - 520/3.7=4, 3.0/10567=4...(13) HD2 LYS 24 - HE3 LYS 34 OK 23 100 - 23 - 520/3.7=3, 542/2.9=3...(10) HD2 LYS 24 - HE2 LYS 34 OK 22 96 - 23 - 520/3.7=3, 542/2.9=3...(9) HB3 LEU 64 - HE3 LYS 34 OK 11 77 - 15 - 520/3.7=3, 553/2.9=2...(9) HB3 LEU 64 - HE2 LYS 34 OK 11 70 - 15 - 520/3.7=3, 553/2.9=2...(9) HB2 LEU 87 - HE3 LYS 34 poor 9 72 - 12 - 520/3.7=2, 498/4.6=2...(6) HB2 LEU 87 - HE2 LYS 34 poor 7 65 - 12 - 520/3.7=2, 498/4.6=2...(5) HB2 LEU 87 - HB3 ASP 30 lone 3 29 - 9 - ~8901=2, ~8889=2, ~8889=1 HG3 ARG 49 - HE3 LYS 34 lone 2 68 - 3 - HG3 ARG 49 - HE2 LYS 34 lone 2 60 - 3 - HB3 LEU 26 - HB3 ASP 30 lone 1 42 - 3 - 4.6/6096=1 HG3 LYS 34 - HB3 ASP 30 lone 1 49 - 2 - HG3 ARG 144 - HE3 LYS 34 lone 1 77 - 1 - HG3 ARG 49 - HB3 ASP 30 lone 1 26 - 3 - HG3 ARG 144 - HE2 LYS 34 lone 1 70 - 1 - HD2 LYS 24 - HB3 ASP 30 lone 0 49 - 1 - HB3 LEU 64 - HB3 ASP 30 lone 0 31 - 1 - HG3 ARG 144 - HB3 ASP 30 lone 0 31 - 0 - Peak 576 from cnoeabs.peaks (1.79, 3.06, 41.80 ppm; 2.50 A): 6 out of 27 assignments used, quality = 1.00: * HD2 LYS 34 + HE3 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 34 + HE3 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/574=6...(50) HD2 LYS 34 + HE2 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 34 + HE2 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 86 + HE3 LYS 34 OK 47 92 - 51 - 2745=5, 1.8/2734=5...(25) HD3 LYS 86 + HE2 LYS 34 OK 46 84 - 55 - 2745=5, 1.8/2734=4...(27) HB3 LYS 24 - HE3 LYS 34 OK 24 98 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HB3 LYS 24 - HE2 LYS 34 OK 22 92 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HG2 PRO 57 - HE3 LYS 34 OK 16 89 - 18 - 1.8/574=1, 1533/3.7=1...(6) HG2 PRO 57 - HE2 LYS 34 OK 15 81 - 19 - 1.8/563=2, 1533/3.7=1...(6) HG LEU 72 - HE3 LYS 34 lone 9 92 - 10 - 2136/2.9=1 HB2 ARG 124 - HE3 LYS 34 lone 9 89 - 10 - HG LEU 72 - HE2 LYS 34 lone 8 84 - 10 - 2136/2.9=1 HB2 ARG 124 - HE2 LYS 34 lone 8 81 - 10 - HD3 LYS 86 - HB3 ASP 30 lone 3 40 - 8 - HB3 ARG 145 - HE3 LYS 34 lone 3 100 - 3 - HB3 ARG 145 - HE2 LYS 34 lone 2 95 - 2 - HD2 LYS 34 - HB3 ASP 30 lone 1 49 - 2 - HD3 LYS 34 - HB3 ASP 30 lone 1 49 - 2 - HB3 MET 59 - HE3 LYS 34 lone 1 62 - 1 - HB3 MET 59 - HE2 LYS 34 lone 1 56 - 1 - HB3 LYS 24 - HB3 ASP 30 lone 0 45 - 0 - HG LEU 72 - HB3 ASP 30 lone 0 40 - 0 - HG2 PRO 57 - HB3 ASP 30 lone 0 38 - 0 - HB3 ARG 145 - HB3 ASP 30 lone 0 48 - 0 - HB2 ARG 124 - HB3 ASP 30 lone 0 38 - 0 - HB3 MET 59 - HB3 ASP 30 lone 0 24 - 0 - Peak 577 from cnoeabs.peaks (1.79, 3.06, 41.80 ppm; 2.50 A): 6 out of 27 assignments used, quality = 1.00: HD2 LYS 34 + HE3 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/574=6...(50) * HD3 LYS 34 + HE3 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/574=6...(50) HD2 LYS 34 + HE2 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 34 + HE2 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 86 + HE3 LYS 34 OK 47 92 - 51 - 2745=5, 1.8/2734=5...(25) HD3 LYS 86 + HE2 LYS 34 OK 46 84 - 55 - 2745=5, 1.8/2734=4...(27) HB3 LYS 24 - HE3 LYS 34 OK 24 98 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HB3 LYS 24 - HE2 LYS 34 OK 22 92 - 24 - 10885/2.9=4, 10885/2.9=4...(10) HG2 PRO 57 - HE3 LYS 34 OK 16 89 - 18 - 1.8/574=1, 1533/3.7=1...(6) HG2 PRO 57 - HE2 LYS 34 OK 15 81 - 19 - 1.8/563=2, 1533/3.7=1...(6) HG LEU 72 - HE3 LYS 34 lone 9 92 - 10 - 2136/2.9=1 HB2 ARG 124 - HE3 LYS 34 lone 9 89 - 10 - HG LEU 72 - HE2 LYS 34 lone 8 84 - 10 - 2136/2.9=1 HB2 ARG 124 - HE2 LYS 34 lone 8 81 - 10 - HD3 LYS 86 - HB3 ASP 30 lone 3 40 - 8 - HB3 ARG 145 - HE3 LYS 34 lone 3 100 - 3 - HB3 ARG 145 - HE2 LYS 34 lone 2 95 - 2 - HD2 LYS 34 - HB3 ASP 30 lone 1 49 - 2 - HD3 LYS 34 - HB3 ASP 30 lone 1 49 - 2 - HB3 MET 59 - HE3 LYS 34 lone 1 62 - 1 - HB3 MET 59 - HE2 LYS 34 lone 1 56 - 1 - HB3 LYS 24 - HB3 ASP 30 lone 0 45 - 0 - HG LEU 72 - HB3 ASP 30 lone 0 40 - 0 - HG2 PRO 57 - HB3 ASP 30 lone 0 38 - 0 - HB3 ARG 145 - HB3 ASP 30 lone 0 48 - 0 - HB2 ARG 124 - HB3 ASP 30 lone 0 38 - 0 - HB3 MET 59 - HB3 ASP 30 lone 0 24 - 0 - Peak 578 from cnoeabs.peaks (3.05, 3.06, 41.80 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 34 + HE3 LYS 34 OK 99 99 - 100 HE2 LYS 34 + HE2 LYS 34 OK 96 96 - 100 HB3 ASP 30 - HB3 ASP 30 OK 29 29 - 100 Reference assignment not found: HE2 LYS 34 - HE3 LYS 34 Peak 579 from cnoeabs.peaks (3.06, 3.06, 41.80 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 34 + HE3 LYS 34 OK 100 100 - 100 HE2 LYS 34 + HE2 LYS 34 OK 93 93 - 100 HB3 ASP 30 - HB3 ASP 30 OK 38 38 - 100 Peak 581 from cnoeabs.peaks (7.31, 2.06, 58.74 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 35 + HA ARG 35 OK 100 100 - 100 - 2.8=100 QD TYR 115 - HA ARG 35 OK 41 98 - 42 - 593/3.0=7, 602/3.0=6...(15) H ASP 30 - HA ARG 35 OK 28 100 - 28 - 6135/3.9=7, 593/3.0=5...(7) Peak 582 from cnoeabs.peaks (2.06, 2.06, 58.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 35 + HA ARG 35 OK 100 100 - 100 Peak 583 from cnoeabs.peaks (1.40, 2.06, 58.74 ppm; 4.34 A): 3 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.0=100 HG2 LYS 36 + HA ARG 35 OK 56 94 - 60 - 4.6/6195=18, 6185/2.8=8...(19) HD2 LYS 114 + HA ARG 35 OK 56 100 - 57 - 10268/2.8=11, 2.9/585=6...(21) HG LEU 116 - HA ARG 35 OK 44 100 - 44 - 604/3.0=6, 613/3.9=5...(16) HG2 LYS 24 - HA ARG 35 OK 28 94 - 30 - 6196/3.6=4, 6185/2.8=4...(11) HG3 LYS 93 - HA ARG 35 OK 16 85 - 18 - 604/3.0=2, 6205/3.6=2...(6) HG2 LYS 86 - HA ARG 35 lone 6 68 - 8 - ~6181=1, ~6180=1 Peak 584 from cnoeabs.peaks (1.77, 2.06, 58.74 ppm; 4.25 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.0=100 HG LEU 39 + HA ARG 35 OK 76 98 - 78 - 2.1/8100=23, 6186/2.8=12...(20) HB2 PRO 12 - HA ARG 35 OK 21 92 - 23 - 596/3.0=3, 614/3.9=2...(15) HG LEU 95 - HA ARG 35 OK 12 89 - 14 - 596/3.0=2, 614/3.9=1...(4) HB ILE 83 - HA ARG 35 poor 10 62 - 16 - ~11043=2, 596/3.0=2...(4) HB3 MET 59 - HA ARG 35 lone 8 85 - 9 - 596/3.0=1 HB3 ARG 55 - HA ARG 35 lone 5 94 - 5 - Peak 585 from cnoeabs.peaks (1.07, 2.06, 58.74 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.9=100 QD2 LEU 26 + HA ARG 35 OK 82 98 - 83 - 624/3.9=16, 6187/2.8=16...(24) Peak 586 from cnoeabs.peaks (0.96, 2.06, 58.74 ppm; 5.24 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.9=100 QD1 LEU 29 + HA ARG 35 OK 72 100 - 72 - 6188/2.8=15, 6199/3.6=10...(19) QG2 THR 51 + HA ARG 35 OK 45 100 - 45 - 607/3.0=8, 598/3.0=8...(10) Peak 589 from cnoeabs.peaks (7.19, 2.06, 58.74 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HA ARG 35 OK 100 100 - 100 - 3.6=100 HE3 TRP 88 - HA ARG 35 OK 29 77 - 37 - 5.0/9778=16, 11066/3.9=8...(9) QD TYR 27 - HA ARG 35 OK 21 72 - 29 - 647/4.9=9, 6191/2.8=5...(7) Peak 591 from cnoeabs.peaks (2.73, 2.06, 58.74 ppm; 6.26 A): 2 out of 6 assignments used, quality = 0.97: * HB2 PHE 38 + HA ARG 35 OK 95 100 - 95 - 1.8/592=42, 3.2/11164=41...(12) HB3 TYR 70 + HA ARG 35 OK 43 100 - 43 - 2.6/9801=16...(9) HB3 MET 46 - HA ARG 35 OK 23 92 - 26 - ~11042=8, 10796/2.8=4...(9) HB3 GLU 120 - HA ARG 35 OK 14 100 - 15 - 810/592=3, 6244/11164=3...(6) HB2 ASN 84 - HA ARG 35 poor 9 72 - 12 - 10796/2.8=7 HB2 ASN 96 - HA ARG 35 lone 3 89 - 4 - Peak 592 from cnoeabs.peaks (3.32, 2.06, 58.74 ppm; 6.28 A): 1 out of 1 assignment used, quality = 0.93: * HB3 PHE 38 + HA ARG 35 OK 93 100 - 93 - 3.2/11164=41...(11) Peak 593 from cnoeabs.peaks (7.31, 1.40, 30.17 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 3.6=100 QD TYR 115 - HB2 ARG 35 OK 39 98 - 40 - 602/1.8=8, 581/3.0=7...(10) H ASP 30 - HB2 ARG 35 OK 31 100 - 31 - 6135/2.9=9, 602/1.8=7...(6) Peak 594 from cnoeabs.peaks (2.06, 1.40, 30.17 ppm; 4.76 A): 3 out of 7 assignments used, quality = 1.00: * HA ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 3.0=100 HB2 LEU 26 + HB2 ARG 35 OK 55 62 - 89 - ~10864=13, 603/1.8=13...(35) HG3 PRO 98 + HB2 ARG 35 OK 47 100 - 47 - 2.3/11042=17, 603/1.8=6...(19) HD2 ARG 49 - HB2 ARG 35 OK 43 72 - 60 - 9826/4.3=7, ~10661=7...(24) HG2 PRO 98 - HB2 ARG 35 OK 38 77 - 49 - 2.3/11042=17, 603/1.8=5...(22) HB2 PRO 52 - HB2 ARG 35 OK 31 100 - 31 - 603/1.8=4, ~8233=3...(11) HB3 GLN 62 - HB2 ARG 35 lone 4 81 - 5 - Peak 595 from cnoeabs.peaks (1.40, 1.40, 30.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 35 + HB2 ARG 35 OK 100 100 - 100 Peak 596 from cnoeabs.peaks (1.77, 1.40, 30.17 ppm; 3.94 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 1.8=100 HG LEU 39 + HB2 ARG 35 OK 74 98 - 76 - ~8100=12, ~8100=11...(23) HB2 PRO 12 - HB2 ARG 35 OK 22 92 - 24 - 584/3.0=2, ~85=2...(14) HG LEU 95 - HB2 ARG 35 OK 14 89 - 15 - 584/3.0=1, 2.1/11558=1 HB ILE 83 - HB2 ARG 35 OK 12 62 - 18 - 3.2/10005=3, 2.1/11043=3...(4) HB3 MET 59 - HB2 ARG 35 lone 8 85 - 9 - ~1604=1 HB3 ARG 55 - HB2 ARG 35 lone 4 94 - 4 - Peak 597 from cnoeabs.peaks (1.07, 1.40, 30.17 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 2.9=100 QD2 LEU 26 + HB2 ARG 35 OK 96 98 - 98 - 624/2.9=22, 585/3.0=22...(35) Peak 598 from cnoeabs.peaks (0.96, 1.40, 30.17 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 2.9=100 QD1 LEU 29 + HB2 ARG 35 OK 82 100 - 82 - 6188/3.6=17, 586/3.0=16...(22) QG2 THR 51 + HB2 ARG 35 OK 64 100 - 64 - 607/1.8=12, 586/3.0=10...(17) Peak 601 from cnoeabs.peaks (7.19, 1.40, 30.17 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HB2 ARG 35 OK 100 100 - 100 - 4.3=100 HE3 TRP 88 - HB2 ARG 35 OK 28 77 - 36 - 11066/2.9=12, 589/3.0=8...(6) QD TYR 27 - HB2 ARG 35 OK 21 72 - 29 - 2.2/11182=6, 589/3.0=5...(7) Peak 602 from cnoeabs.peaks (7.31, 1.77, 30.17 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 3.6=100 QD TYR 115 - HB3 ARG 35 OK 37 98 - 38 - 593/1.8=9, 581/3.0=8...(9) H ASP 30 - HB3 ARG 35 OK 30 100 - 30 - 6135/2.9=9, 593/1.8=7...(6) Peak 603 from cnoeabs.peaks (2.06, 1.77, 30.17 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 3.0=100 HB2 LEU 26 + HB3 ARG 35 OK 45 62 - 72 - ~257=8, 612/2.9=8...(33) HG3 PRO 98 - HB3 ARG 35 OK 31 100 - 31 - ~11042=8, 6184/3.6=4...(10) HD2 ARG 49 - HB3 ARG 35 OK 28 72 - 38 - 3.0/604=5, ~10661=5...(16) HG2 PRO 98 - HB3 ARG 35 OK 25 77 - 33 - ~11042=8, 594/1.8=3...(13) HB2 PRO 52 - HB3 ARG 35 OK 20 100 - 20 - 594/1.8=3, ~8233=2...(9) HB3 GLN 62 - HB3 ARG 35 lone 3 81 - 3 - Peak 604 from cnoeabs.peaks (1.40, 1.77, 30.17 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 1.8=100 HG LEU 116 - HB3 ARG 35 OK 42 100 - 42 - 613/2.9=4, ~3898=4...(18) HD2 LYS 114 - HB3 ARG 35 OK 42 100 - 42 - 10268/3.6=7, 583/3.0=4...(19) HG2 LYS 36 - HB3 ARG 35 OK 41 94 - 44 - 4.6/6197=11, 6185/3.6=6...(16) HG2 LYS 24 - HB3 ARG 35 OK 18 94 - 19 - 4.0/11318=3, 6196/4.3=3...(7) HG3 LYS 93 - HB3 ARG 35 OK 13 85 - 15 - 613/2.9=1, 583/3.0=1...(8) HG2 LYS 86 - HB3 ARG 35 lone 4 68 - 5 - Peak 605 from cnoeabs.peaks (1.77, 1.77, 30.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 35 + HB3 ARG 35 OK 100 100 - 100 Peak 606 from cnoeabs.peaks (1.07, 1.77, 30.17 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 2.9=100 QD2 LEU 26 + HB3 ARG 35 OK 96 98 - 98 - 624/2.9=22, 585/3.0=22...(33) Peak 607 from cnoeabs.peaks (0.96, 1.77, 30.17 ppm; 5.91 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 2.9=100 QD1 LEU 29 + HB3 ARG 35 OK 74 100 - 74 - 6188/3.6=15, 586/3.0=14...(19) QG2 THR 51 + HB3 ARG 35 OK 58 100 - 58 - 598/1.8=11, 616/2.9=9...(12) Peak 610 from cnoeabs.peaks (7.19, 1.77, 30.17 ppm; 5.76 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HB3 ARG 35 OK 100 100 - 100 - 4.3=100 HE3 TRP 88 - HB3 ARG 35 OK 27 77 - 35 - 11066/2.9=14, 601/1.8=9...(6) QD TYR 27 - HB3 ARG 35 OK 21 72 - 29 - ~11182=8, 601/1.8=6...(6) Peak 612 from cnoeabs.peaks (2.06, 1.07, 26.58 ppm; 3.47 A): 4 out of 14 assignments used, quality = 0.98: * HA ARG 35 + HG2 ARG 35 OK 82 100 - 82 - 3.9=72, 3.6/6198=7...(8) HB2 LEU 26 + QD2 LEU 26 OK 52 52 - 100 - 3.1=100 HA ARG 35 + QD2 LEU 26 OK 51 92 - 56 - 3.9/624=8, 2.8/6187=8...(20) HB2 LEU 26 + HG2 ARG 35 OK 46 62 - 74 - 1.8/257=14, 3.2/273=11...(23) HG3 PRO 98 - HG2 ARG 35 OK 21 100 - 21 - ~11042=5, 603/2.9=3...(9) HD2 ARG 49 - HG2 ARG 35 OK 19 72 - 26 - ~10661=5, 3.0/613=3...(10) HG2 PRO 98 - HG2 ARG 35 OK 17 77 - 21 - ~11042=5, 603/2.9=2...(10) HB2 PRO 52 - HG2 ARG 35 OK 17 100 - 16 - ~8233=2, ~8232=2...(8) HG3 PRO 98 - QD2 LEU 26 OK 14 92 - 15 - 10113/3.1=7, ~9131=2 HD2 ARG 49 - QD2 LEU 26 poor 8 61 - 12 - 269/2.1=1, ~1298=1 HG2 PRO 98 - QD2 LEU 26 poor 7 65 - 11 - ~10113=4, ~9131=2 HB2 PRO 52 - QD2 LEU 26 lone 3 90 - 4 - HB3 GLN 62 - QD2 LEU 26 lone 3 69 - 5 - 8275/10572=1 HB3 GLN 62 - HG2 ARG 35 lone 2 81 - 2 - Peak 613 from cnoeabs.peaks (1.40, 1.07, 26.58 ppm; 3.54 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 2.9=100 HB2 ARG 35 + QD2 LEU 26 OK 62 92 - 68 - 2.9/624=11, 3.6/6187=7...(28) HD2 LYS 114 - HG2 ARG 35 OK 44 100 - 44 - 3792=6, 10268/4.5=5...(19) HG2 LYS 36 - HG2 ARG 35 OK 39 94 - 42 - 4.6/6198=6, 613=4...(17) HG LEU 116 - HG2 ARG 35 OK 39 100 - 39 - 2.1/3888=5, 3880=5...(18) HG2 LYS 24 - QD2 LEU 26 OK 18 83 - 22 - 10890/3.8=4, ~11373=2...(11) HD2 LYS 114 - QD2 LEU 26 OK 18 90 - 20 - 3791/8799=3, 3.6/278=3...(6) HG LEU 116 - QD2 LEU 26 OK 16 91 - 18 - 3.0/10571=6, ~10296=2...(5) HG2 LYS 24 - HG2 ARG 35 OK 14 94 - 15 - 10906/2.9=2, 604/2.9=2...(4) HG2 LYS 86 - QD2 LEU 26 OK 14 57 - 24 - 3.9/10565=2, 3.0/279=2...(12) HG3 LYS 93 - HG2 ARG 35 OK 12 85 - 13 - 613=2, 604/2.9=1, 583/3.9=1 HG3 LYS 93 - QD2 LEU 26 OK 11 73 - 15 - 11310/3.8=1 HG2 LYS 36 - QD2 LEU 26 poor 9 83 - 11 - 4.6/6198=4 HG2 LYS 86 - HG2 ARG 35 lone 3 68 - 4 - Peak 614 from cnoeabs.peaks (1.77, 1.07, 26.58 ppm; 3.43 A): 4 out of 14 assignments used, quality = 1.00: * HB3 ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 2.9=100 HG LEU 39 + QD2 LEU 26 OK 71 87 - 81 - 2.1/10574=26, ~10907=15...(17) HB3 ARG 35 + QD2 LEU 26 OK 59 92 - 64 - 2.9/624=10, 3.6/6187=7...(28) HG LEU 39 + HG2 ARG 35 OK 53 98 - 55 - 2.1/10912=12...(17) HB2 PRO 12 - HG2 ARG 35 OK 15 92 - 16 - 596/2.9=2, 614=2...(5) HB ILE 83 - QD2 LEU 26 OK 11 52 - 21 - 3.2/10571=8, ~10659=3...(6) HG LEU 95 - HG2 ARG 35 poor 10 89 - 11 - 614=1, 596/2.9=1 HB ILE 83 - HG2 ARG 35 poor 7 62 - 12 - ~11043=1, 596/2.9=1 HG LEU 95 - QD2 LEU 26 lone 7 77 - 9 - HB3 MET 59 - HG2 ARG 35 lone 6 85 - 7 - HB3 ARG 55 - QD2 LEU 26 lone 3 83 - 4 - HB3 ARG 55 - HG2 ARG 35 lone 3 94 - 3 - HB2 PRO 12 - QD2 LEU 26 lone 3 80 - 4 - HB3 MET 59 - QD2 LEU 26 lone 3 73 - 4 - Peak 615 from cnoeabs.peaks (1.07, 1.07, 26.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 35 + HG2 ARG 35 OK 100 100 - 100 QD2 LEU 26 + QD2 LEU 26 OK 87 87 - 100 Peak 616 from cnoeabs.peaks (0.96, 1.07, 26.58 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 1.8=100 HG3 ARG 35 + QD2 LEU 26 OK 56 92 - 61 - 624=10, 10575/2.1=8...(23) QD1 LEU 29 - HG2 ARG 35 OK 38 100 - 38 - 4.6/10882=4, 616=4...(16) QD1 LEU 29 - QD2 LEU 26 OK 32 92 - 35 - 8075/2.1=6, 2.1/10569=5...(11) QG2 THR 51 - HG2 ARG 35 OK 27 100 - 27 - 616=6, 607/2.9=3...(10) QG2 THR 51 - QD2 LEU 26 OK 20 92 - 21 - 2.1/10553=4, ~10562=3...(7) Peak 621 from cnoeabs.peaks (2.06, 0.96, 26.58 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * HA ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 3.9=100 HB2 LEU 26 + HG3 ARG 35 OK 60 62 - 95 - ~257=22, 3.1/624=22...(22) HD2 ARG 49 + HG3 ARG 35 OK 55 72 - 76 - 3.7/10467=18...(16) HG3 PRO 98 + HG3 ARG 35 OK 52 100 - 51 - ~11042=23, 594/2.9=7...(10) HG2 PRO 98 - HG3 ARG 35 OK 43 77 - 55 - ~11042=23, ~594=6...(12) HB2 PRO 52 - HG3 ARG 35 OK 35 100 - 35 - 3.0/8232=8, 3.0/8233=8...(9) HB3 GLN 62 - HG3 ARG 35 lone 6 81 - 7 - Peak 622 from cnoeabs.peaks (1.40, 0.96, 26.58 ppm; 6.00 A): 4 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 2.9=100 HG2 LYS 36 + HG3 ARG 35 OK 71 94 - 76 - 4.6/6199=19, 6185/4.5=9...(26) HG LEU 116 + HG3 ARG 35 OK 68 100 - 68 - 3.0/624=9, 613/1.8=9...(19) HD2 LYS 114 + HG3 ARG 35 OK 66 100 - 66 - 10268/4.5=14, 2.9/624=10...(21) HG2 LYS 24 - HG3 ARG 35 OK 27 94 - 28 - 6185/4.5=4, 583/3.9=4...(12) HG3 LYS 93 - HG3 ARG 35 OK 23 85 - 26 - 613/1.8=3, 604/2.9=3...(10) HG2 LYS 86 - HG3 ARG 35 poor 9 68 - 13 - Peak 623 from cnoeabs.peaks (1.77, 0.96, 26.58 ppm; 6.59 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 2.9=100 HG LEU 39 + HG3 ARG 35 OK 89 98 - 91 - ~10912=21, ~10977=19...(22) HB2 PRO 12 - HG3 ARG 35 OK 37 92 - 39 - 596/2.9=5, 584/3.9=4...(15) HG LEU 95 - HG3 ARG 35 OK 26 89 - 29 - 596/2.9=3, 8736/8737=3...(16) HB ILE 83 - HG3 ARG 35 OK 20 62 - 32 - ~11043=4, ~10005=4...(17) HB3 MET 59 - HG3 ARG 35 OK 14 85 - 16 - 584/3.9=2, ~1604=2...(7) HB3 ARG 55 - HG3 ARG 35 lone 8 94 - 8 - 584/3.9=1 Peak 624 from cnoeabs.peaks (1.07, 0.96, 26.58 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 1.8=100 QD2 LEU 26 + HG3 ARG 35 OK 77 98 - 79 - 10570=14, ~273=11...(27) Peak 625 from cnoeabs.peaks (0.96, 0.96, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 35 + HG3 ARG 35 OK 100 100 - 100 Peak 647 from cnoeabs.peaks (7.19, 3.87, 59.28 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 36 + HA LYS 36 OK 100 100 - 100 - 2.8=100 QD TYR 27 + HA LYS 36 OK 52 72 - 72 - 2.6/11208=20...(20) HE3 TRP 88 - HA LYS 36 poor 10 77 - 12 - 589/4.9=2, 672/3.0=1, 683/3.8=1 Peak 648 from cnoeabs.peaks (3.87, 3.87, 59.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + HA LYS 36 OK 100 100 - 100 Peak 649 from cnoeabs.peaks (1.87, 3.87, 59.28 ppm; 3.58 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 48 + HA LYS 36 OK 70 100 - 70 - 662=12, 1.8/662=9...(37) HB2 LYS 48 + HA LYS 36 OK 69 99 - 70 - 662=11, 1.8/662=9...(35) HB2 ARG 144 + HA LYS 36 OK 47 100 - 48 - 674/3.0=5, 1.8/653=5...(24) HB3 ARG 141 - HA LYS 36 OK 25 62 - 40 - 1.8/654=7, ~679=4...(16) HB3 LYS 85 - HA LYS 36 OK 13 81 - 16 - 3.6/652=2, 674/3.0=1...(5) HG LEU 69 - HA LYS 36 poor 9 72 - 13 - ~9892=3, 3.0/660=2 HB3 LYS 76 - HA LYS 36 lone 2 62 - 3 - Peak 650 from cnoeabs.peaks (2.09, 3.87, 59.28 ppm; 3.56 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.0=100 HG3 PRO 33 + HA LYS 36 OK 50 100 - 50 - 2.3/10789=9, 6204/2.8=5...(21) HG2 PRO 33 - HA LYS 36 OK 44 89 - 50 - 2.3/10789=9, 6204/2.8=5...(23) HG2 PRO 118 - HA LYS 36 OK 42 99 - 43 - 3969=4, 686/3.8=3...(23) HB3 GLN 25 - HA LYS 36 OK 38 98 - 39 - ~11462=9, 2.9/10789=8...(13) HB3 GLU 142 - HA LYS 36 poor 10 96 - 10 - 4.7/658=2 HB2 GLU 131 - HA LYS 36 lone 9 99 - 9 - 4.6/9590=4 HB VAL 53 - HA LYS 36 lone 8 94 - 8 - HG2 GLU 122 - HA LYS 36 lone 5 72 - 7 - 6219/3.6=1, ~11711=1 HB2 PRO 129 - HA LYS 36 lone 4 68 - 7 - Peak 651 from cnoeabs.peaks (1.41, 3.87, 59.28 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.8=100 HB2 ARG 35 + HA LYS 36 OK 61 94 - 64 - 3.6/11235=19, ~6197=11...(16) HG2 LYS 24 - HA LYS 36 OK 42 100 - 42 - ~11341=6, 10901/6.4=6...(15) HG LEU 116 - HA LYS 36 OK 34 89 - 38 - 2.1/659=8, ~9378=4...(14) HD2 LYS 114 - HA LYS 36 OK 28 99 - 29 - ~10263=11, 6205/2.8=4...(8) HG3 LYS 93 - HA LYS 36 OK 22 100 - 22 - 676/3.0=3, 6205/2.8=2...(7) HG12 ILE 91 - HA LYS 36 OK 18 68 - 27 - 2.1/8990=7, ~8997=7...(8) Peak 652 from cnoeabs.peaks (1.59, 3.87, 59.28 ppm; 3.83 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.8=100 HG3 LYS 48 + HA LYS 36 OK 61 92 - 66 - 695=14, 2.9/662=8...(26) HG2 ARG 144 - HA LYS 36 OK 41 89 - 46 - 3.0/649=4, 677/3.0=4...(21) HG2 ARG 141 - HA LYS 36 OK 29 72 - 40 - 2.8/654=7, 677/3.0=3...(17) HG3 ARG 109 - HA LYS 36 OK 18 62 - 29 - 677/3.0=4, 688/3.8=4...(12) HB2 LEU 79 - HA LYS 36 OK 12 100 - 12 - 677/3.0=2, 688/3.8=2...(5) HD2 LYS 61 - HA LYS 36 lone 8 100 - 8 - HD3 LYS 61 - HA LYS 36 lone 8 100 - 7 - HG LEU 108 - HA LYS 36 lone 5 68 - 7 - 6221/3.6=2, 2.1/2150=2 HB2 LEU 97 - HA LYS 36 lone 5 77 - 6 - 10128/10084=1 Peak 653 from cnoeabs.peaks (1.73, 3.87, 59.28 ppm; 4.03 A): 4 out of 9 assignments used, quality = 1.00: * HD2 LYS 36 + HA LYS 36 OK 97 100 - 97 - 5.3=43, 1.8/717=32...(45) HB3 ARG 144 + HA LYS 36 OK 54 100 - 55 - 4894/3.0=6, 1.8/649=6...(20) HB3 GLU 81 + HA LYS 36 OK 49 98 - 50 - 6222/3.6=5, 678/3.0=4...(23) HB2 GLU 81 + HA LYS 36 OK 48 94 - 50 - 6222/3.6=5, 678/3.0=4...(23) HB2 ARG 49 - HA LYS 36 OK 42 89 - 47 - 3.0/8195=23, 1.8/660=7...(11) HB3 ARG 109 - HA LYS 36 OK 28 85 - 33 - 1.8/660=6, 2.8/652=5...(13) HG LEU 66 - HA LYS 36 OK 23 92 - 25 - 2.9/652=3, ~9903=3...(11) HG3 ARG 140 - HA LYS 36 lone 7 92 - 7 - HG3 ARG 89 - HA LYS 36 lone 6 94 - 6 - Peak 654 from cnoeabs.peaks (1.82, 3.87, 59.28 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.97: * HD3 LYS 36 + HA LYS 36 OK 94 100 - 94 - 5.3=37, 6208/2.8=18...(43) HB2 ARG 141 + HA LYS 36 OK 51 100 - 51 - 679/3.0=7, 690/3.8=6...(18) HB3 MET 68 - HA LYS 36 OK 43 100 - 43 - 679/3.0=6, 6208/2.8=5...(14) HB3 LEU 72 - HA LYS 36 OK 16 72 - 23 - 1.8/2117=3, 3.1/2150=2...(10) HB VAL 80 - HA LYS 36 OK 15 99 - 15 - 690/3.8=2, 6208/2.8=2...(6) HB2 MET 11 - HA LYS 36 OK 13 96 - 14 - 6223/3.6=3, 6208/2.8=3...(5) Peak 655 from cnoeabs.peaks (3.02, 3.87, 59.28 ppm; 5.35 A): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=58, 3.0/717=42...(44) HE3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=58, 3.0/717=42...(44) HD3 ARG 35 + HA LYS 36 OK 69 100 - 69 - 5.4/11235=26...(10) Peak 656 from cnoeabs.peaks (3.01, 3.87, 59.28 ppm; 5.35 A): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=58, 3.0/717=42...(44) HE2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=58, 3.0/717=42...(44) HD3 ARG 35 + HA LYS 36 OK 69 100 - 69 - 5.4/11235=26...(10) Peak 657 from cnoeabs.peaks (7.21, 3.87, 59.28 ppm; 3.39 A): 2 out of 5 assignments used, quality = 0.97: * H GLU 37 + HA LYS 36 OK 94 100 - 94 - 3.6=85, 6218/3.0=13...(14) QD TYR 27 + HA LYS 36 OK 44 68 - 65 - 2.6/11208=17...(18) QD PHE 45 - HA LYS 36 OK 34 96 - 36 - ~11225=8, 704/3.8=5...(13) HE3 TRP 17 - HA LYS 36 OK 30 100 - 30 - 2.5/10779=17, 682/3.0=3...(7) HE3 TRP 88 - HA LYS 36 lone 2 62 - 4 - Peak 658 from cnoeabs.peaks (8.27, 3.87, 59.28 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.97: * H LEU 39 + HA LYS 36 OK 93 100 - 93 - 6253=50, 4.3/8104=32...(13) H GLN 25 + HA LYS 36 OK 57 100 - 57 - 2.9/10789=16...(18) H ASP 32 - HA LYS 36 OK 38 85 - 44 - 10814/2.8=12...(9) H GLY 143 - HA LYS 36 OK 29 100 - 29 - 7867/3.0=4, 6232/3.6=4...(12) Peak 659 from cnoeabs.peaks (0.98, 3.87, 59.28 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.93: * HB2 LEU 39 + HA LYS 36 OK 82 100 - 82 - 3.2/8104=36, 3.3/6253=33...(9) QD1 LEU 116 + HA LYS 36 OK 53 89 - 60 - 10295/3.0=7, ~9378=7...(22) HG12 ILE 136 + HA LYS 36 OK 13 85 - 15 - 855/8104=3, 6264/6253=3...(6) Peak 660 from cnoeabs.peaks (1.38, 3.87, 59.28 ppm; 4.00 A): 6 out of 7 assignments used, quality = 0.94: * HB3 LEU 39 + HA LYS 36 OK 70 100 - 70 - 3.2/8104=26, 3.3/6253=23...(11) HG2 ARG 49 + HA LYS 36 OK 46 85 - 54 - 8195=26, ~9826=6...(17) HB2 ARG 109 + HA LYS 36 OK 31 99 - 31 - 2.8/652=5, 1.8/653=3...(15) HB VAL 82 + HA LYS 36 OK 29 98 - 30 - ~10000=4, ~9975=4...(12) HB2 LEU 69 + HA LYS 36 OK 16 94 - 17 - ~9892=3, 2015/3.0=1, 856/8104=1 HG LEU 132 + HA LYS 36 OK 15 100 - 15 - 4.8/9590=5, 8195=4...(4) HG2 LYS 86 - HA LYS 36 lone 2 68 - 2 - Peak 661 from cnoeabs.peaks (7.19, 1.87, 32.16 ppm; 3.44 A): 3 out of 9 assignments used, quality = 0.97: * H LYS 36 + HB2 LYS 36 OK 87 100 - 87 - 3.9=67, 672/1.8=19...(11) QD TYR 27 + HB2 LYS 36 OK 56 72 - 77 - 672/1.8=12, ~11208=9...(23) H LYS 36 + HB3 LYS 48 OK 41 80 - 51 - 6203=10, 6203/1.8=8...(16) H LYS 36 - HB2 LYS 48 OK 38 74 - 51 - 6203=10, 6203/1.8=8...(16) HE3 TRP 88 - HB2 LYS 36 lone 7 77 - 9 - 672/1.8=2, 647/3.0=2...(4) QD TYR 27 - HB3 LYS 48 poor 5 51 - 11 - 2.2/10813=2, 3.7/10970=1 QD TYR 27 - HB2 LYS 48 poor 5 46 - 11 - ~10813=1, 2.2/10813=1 HE3 TRP 88 - HB3 LYS 48 lone 1 54 - 1 - HE3 TRP 88 - HB2 LYS 48 lone 1 50 - 1 - Peak 662 from cnoeabs.peaks (3.87, 1.87, 32.16 ppm; 3.76 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 3.0=100 HA LYS 36 + HB3 LYS 48 OK 58 80 - 73 - 649=10, 695/2.9=9...(39) HA LYS 36 + HB2 LYS 48 OK 54 74 - 73 - 649=10, 695/2.9=9...(37) Peak 663 from cnoeabs.peaks (1.87, 1.87, 32.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 HB3 LYS 48 + HB3 LYS 48 OK 79 79 - 100 HB2 LYS 48 + HB2 LYS 48 OK 71 71 - 100 Peak 664 from cnoeabs.peaks (2.09, 1.87, 32.16 ppm; 2.95 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 LYS 36 + HB3 LYS 48 OK 52 80 - 65 - 674=10, 674/1.8=7...(41) HB3 LYS 36 + HB2 LYS 48 OK 48 74 - 65 - 674=10, 674/1.8=7...(39) HG3 PRO 33 - HB2 LYS 36 OK 42 100 - 43 - 3.8/10790=5, 686/3.0=3...(23) HG2 PRO 33 - HB2 LYS 36 OK 36 89 - 40 - 3.8/10790=5, ~10789=3...(23) HG2 PRO 118 - HB2 LYS 36 OK 35 99 - 36 - ~673=3, 686/3.0=3...(22) HB3 GLN 25 - HB2 LYS 36 OK 18 98 - 18 - 650/3.0=2, ~10789=2...(8) HB3 GLU 142 - HB2 LYS 36 lone 7 96 - 7 - HB2 GLU 131 - HB2 LYS 36 lone 4 99 - 4 - HB VAL 53 - HB2 LYS 36 lone 4 94 - 4 - HG2 GLU 122 - HB2 LYS 36 lone 3 72 - 4 - HB2 PRO 129 - HB2 LYS 36 lone 3 68 - 4 - HG3 PRO 33 - HB3 LYS 48 lone 3 79 - 3 - HG3 PRO 33 - HB2 LYS 48 lone 2 73 - 3 - HG2 PRO 118 - HB3 LYS 48 lone 2 77 - 3 - HB3 GLN 25 - HB3 LYS 48 lone 2 75 - 3 - HG2 PRO 118 - HB2 LYS 48 lone 2 71 - 3 - HG2 PRO 33 - HB3 LYS 48 lone 2 65 - 3 - HB3 GLN 25 - HB2 LYS 48 lone 2 69 - 3 - HG2 PRO 33 - HB2 LYS 48 lone 2 60 - 3 - HB2 PRO 129 - HB3 LYS 48 lone 1 47 - 2 - HB3 GLU 142 - HB3 LYS 48 lone 1 73 - 1 - HB2 PRO 129 - HB2 LYS 48 lone 1 43 - 2 - HB2 GLU 131 - HB3 LYS 48 lone 1 77 - 1 - HB2 GLU 131 - HB2 LYS 48 lone 1 71 - 1 - HB3 GLU 142 - HB2 LYS 48 lone 1 67 - 1 - HB VAL 53 - HB3 LYS 48 lone 1 71 - 1 - HB VAL 53 - HB2 LYS 48 lone 1 65 - 1 - HG2 GLU 122 - HB3 LYS 48 lone 0 51 - 1 - HG2 GLU 122 - HB2 LYS 48 lone 0 46 - 1 - Peak 665 from cnoeabs.peaks (1.41, 1.87, 32.16 ppm; 2.84 A): 3 out of 21 assignments used, quality = 0.99: * HG2 LYS 36 + HB2 LYS 36 OK 94 100 - 94 - 3.0=88, 2.9/718=8...(20) HG2 LYS 36 + HB3 LYS 48 OK 51 80 - 64 - 685=8, 685/1.8=6...(34) HG2 LYS 36 + HB2 LYS 48 OK 47 74 - 64 - 685=8, 685/1.8=6...(32) HG3 LYS 93 - HB2 LYS 48 OK 36 72 - 50 - 3063/3.6=3, 3062/3.6=3...(25) HG3 LYS 93 - HB3 LYS 48 OK 36 78 - 46 - 3063/3.6=3, 3062/3.6=3...(21) HG2 LYS 24 - HB2 LYS 36 OK 29 100 - 29 - 10901/4.8=5, 10906/3.0=4...(10) HB2 ARG 35 - HB2 LYS 36 OK 25 94 - 26 - 4.3/6203=5, 11623/3.0=4...(11) HG LEU 116 - HB2 LYS 36 OK 24 89 - 27 - 2.1/9378=4, 2.1/10295=3...(14) HG3 LYS 93 - HB2 LYS 36 OK 17 100 - 17 - 676/1.8=2, 698/3.0=1...(4) HD2 LYS 114 - HB3 LYS 48 OK 12 77 - 16 - 3790/2.9=3, 3787/4.3=2...(5) HD2 LYS 114 - HB2 LYS 36 OK 12 99 - 12 - 10206/10814=2...(4) HG2 LYS 24 - HB3 LYS 48 OK 12 80 - 15 - 1187/2.9=2, 1165=1...(5) HD2 LYS 114 - HB2 LYS 48 OK 11 71 - 16 - 3790/2.9=3, 3787/4.3=2...(5) HG2 LYS 24 - HB2 LYS 48 OK 10 74 - 14 - 1187/2.9=2, 1153=1...(5) HG LEU 116 - HB2 LYS 48 poor 6 60 - 10 - 2.1/9378=2, ~10295=1...(5) HG12 ILE 91 - HB2 LYS 36 lone 6 68 - 9 - ~8990=2, 6220/4.5=1 HG LEU 116 - HB3 LYS 48 lone 6 65 - 9 - 2.1/9378=2, 2.1/10295=1...(4) HG12 ILE 91 - HB3 LYS 48 poor 5 47 - 11 - ~9801=1, ~9823=1, 1187/2.9=1 HG12 ILE 91 - HB2 LYS 48 poor 5 43 - 11 - ~9801=1, ~9823=1, 1187/2.9=1 HB2 ARG 35 - HB3 LYS 48 lone 4 71 - 5 - 4.3/6203=3 HB2 ARG 35 - HB2 LYS 48 lone 3 65 - 5 - 4.3/6203=3 Peak 666 from cnoeabs.peaks (1.59, 1.87, 32.16 ppm; 2.82 A): 5 out of 30 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 93 100 - 93 - 3.0=85, 2.9/718=7...(21) HG3 LYS 48 + HB3 LYS 48 OK 67 68 - 99 - 2.9=95, 1.8/1174=10...(70) HG3 LYS 48 + HB2 LYS 48 OK 62 62 - 99 - 2.9=95, 1.8/1174=10...(70) HG3 LYS 36 + HB3 LYS 48 OK 49 80 - 61 - 696=6, 1.8/685=6...(30) HG3 LYS 36 + HB2 LYS 48 OK 45 74 - 62 - 696=6, 1.8/685=6...(28) HG3 LYS 48 - HB2 LYS 36 OK 43 92 - 47 - 1186=5, 695/3.0=4...(23) HG2 ARG 144 - HB2 LYS 36 OK 36 89 - 40 - 1.8/4912=5, 4903=4...(14) HG2 ARG 144 - HB3 LYS 48 OK 32 65 - 49 - 1.8/4912=7, 4903=5...(16) HG2 ARG 144 - HB2 LYS 48 OK 29 60 - 49 - 1.8/4912=7, 4903=5...(16) HG2 ARG 141 - HB2 LYS 36 OK 25 72 - 34 - 4903=3, 2.8/668=3...(16) HG3 ARG 109 - HB2 LYS 36 OK 16 62 - 25 - 688/3.0=3, 677/1.8=3...(5) HG2 ARG 141 - HB3 LYS 48 OK 15 51 - 30 - 4903=3, 4903/1.8=2...(8) HG2 ARG 141 - HB2 LYS 48 OK 15 46 - 33 - 4903=3, 4903/1.8=2...(10) HB2 LEU 79 - HB2 LYS 36 OK 15 100 - 15 - 688/3.0=2, 677/1.8=1...(5) HD2 LYS 61 - HB2 LYS 36 lone 6 100 - 6 - HB2 LEU 97 - HB3 LYS 48 poor 6 54 - 11 - 3.2/10132=1 HD3 LYS 61 - HB2 LYS 36 lone 6 100 - 5 - HB2 LEU 97 - HB2 LYS 48 poor 5 50 - 10 - HG LEU 108 - HB3 LYS 48 poor 5 47 - 11 - 6446/3.8=2, 1142/3.0=1, ~9258=1 HG LEU 108 - HB2 LYS 48 poor 5 43 - 11 - 6446/3.8=2, 1142/3.0=1, ~9258=1 HG LEU 108 - HB2 LYS 36 lone 3 68 - 4 - HB2 LEU 97 - HB2 LYS 36 lone 2 77 - 3 - HG3 ARG 109 - HB3 LYS 48 lone 2 43 - 6 - HG3 ARG 109 - HB2 LYS 48 lone 2 39 - 6 - HB2 LEU 79 - HB3 LYS 48 lone 2 79 - 2 - HB2 LEU 79 - HB2 LYS 48 lone 2 73 - 2 - HD2 LYS 61 - HB3 LYS 48 lone 2 80 - 2 - HD3 LYS 61 - HB3 LYS 48 lone 2 80 - 2 - HD2 LYS 61 - HB2 LYS 48 lone 2 74 - 2 - HD3 LYS 61 - HB2 LYS 48 lone 2 74 - 2 - Peak 667 from cnoeabs.peaks (1.73, 1.87, 32.16 ppm; 2.94 A): 3 out of 27 assignments used, quality = 0.97: * HD2 LYS 36 + HB2 LYS 36 OK 89 100 - 89 - 3.6=53, 1.8/718=12...(44) HB3 ARG 144 + HB2 LYS 36 OK 46 100 - 47 - 4894=7, 678/1.8=4...(22) HD2 LYS 36 + HB3 LYS 48 OK 44 80 - 56 - 1.8/718=7, 707=6...(25) HB3 ARG 144 - HB3 LYS 48 OK 42 79 - 54 - 4894=8, 4894/1.8=7...(26) HD2 LYS 36 - HB2 LYS 48 OK 41 74 - 56 - 1.8/718=7, 707=6...(27) HB3 ARG 144 - HB2 LYS 48 OK 40 73 - 55 - 4894=8, 4894/1.8=6...(26) HB3 GLU 81 - HB2 LYS 36 OK 38 98 - 39 - 707=3, 722/3.6=3...(23) HB2 GLU 81 - HB2 LYS 36 OK 37 94 - 39 - 722/3.6=3, 678/1.8=3...(24) HB2 ARG 49 - HB2 LYS 36 OK 25 89 - 29 - ~8195=5, ~8196=2...(14) HB3 ARG 109 - HB2 LYS 36 OK 22 85 - 26 - 678/1.8=2, 689/3.0=2...(12) HG LEU 66 - HB2 LYS 36 OK 13 92 - 14 - ~9865=1, 678/1.8=1...(4) HB2 ARG 49 - HB3 LYS 48 OK 12 65 - 18 - 3.7/6456=4, 4.7/8191=3...(4) HB2 ARG 49 - HB2 LYS 48 OK 10 60 - 18 - 6464/4.3=4, 4.7/8191=2...(4) HB3 GLU 81 - HB3 LYS 48 lone 5 75 - 6 - HB3 ARG 109 - HB3 LYS 48 lone 5 62 - 8 - 3539/3.0=1 HB2 GLU 81 - HB3 LYS 48 lone 4 71 - 6 - HB3 GLU 81 - HB2 LYS 48 lone 4 69 - 6 - HB3 ARG 109 - HB2 LYS 48 lone 4 56 - 8 - 3539/3.0=1 HB2 GLU 81 - HB2 LYS 48 lone 4 65 - 6 - HG LEU 66 - HB3 LYS 48 lone 4 68 - 5 - HG3 ARG 140 - HB2 LYS 36 lone 3 92 - 4 - HG LEU 66 - HB2 LYS 48 lone 3 62 - 5 - HG3 ARG 89 - HB2 LYS 36 lone 3 94 - 3 - HG3 ARG 89 - HB3 LYS 48 lone 3 71 - 4 - HG3 ARG 89 - HB2 LYS 48 lone 3 65 - 4 - HG3 ARG 140 - HB3 LYS 48 lone 3 68 - 4 - 6464/4.3=1 HG3 ARG 140 - HB2 LYS 48 lone 2 62 - 4 - 6464/4.3=1 Peak 668 from cnoeabs.peaks (1.82, 1.87, 32.16 ppm; 2.50 A): 4 out of 18 assignments used, quality = 0.92: * HD3 LYS 36 + HB2 LYS 36 OK 75 100 - 75 - 3.6=33, 679/1.8=9...(33) HD3 LYS 36 + HB3 LYS 48 OK 34 80 - 42 - 718=7, 718/1.8=5...(14) HD3 LYS 36 + HB2 LYS 48 OK 32 74 - 43 - 718=7, 718/1.8=5...(16) HB2 ARG 141 + HB2 LYS 36 OK 29 100 - 29 - 679/1.8=4, 690/3.0=3...(10) HB3 MET 68 - HB2 LYS 36 OK 21 100 - 21 - 679/1.8=3, 690/3.0=2...(8) HB2 ARG 141 - HB3 LYS 48 OK 19 79 - 24 - 701/2.9=2, 2.8/4903=2...(4) HB2 ARG 141 - HB2 LYS 48 OK 19 73 - 26 - 4780/1.8=2, 2.8/4903=2...(4) HB VAL 80 - HB2 LYS 36 lone 7 99 - 7 - 679/1.8=1, 690/3.0=1 HB3 LEU 72 - HB2 LYS 36 lone 6 72 - 9 - 679/1.8=1 HB2 MET 11 - HB2 LYS 36 lone 6 96 - 6 - 679/1.8=1 HB3 MET 68 - HB3 LYS 48 lone 5 79 - 6 - HB3 MET 68 - HB2 LYS 48 lone 5 73 - 6 - HB VAL 80 - HB3 LYS 48 lone 1 77 - 1 - HB VAL 80 - HB2 LYS 48 lone 1 71 - 1 - HB2 MET 11 - HB3 LYS 48 lone 1 73 - 1 - HB2 MET 11 - HB2 LYS 48 lone 1 67 - 1 - HB3 LEU 72 - HB3 LYS 48 lone 0 51 - 1 - HB3 LEU 72 - HB2 LYS 48 lone 0 46 - 1 - Peak 671 from cnoeabs.peaks (7.21, 1.87, 32.16 ppm; 3.27 A): 5 out of 15 assignments used, quality = 0.93: * H GLU 37 + HB2 LYS 36 OK 71 100 - 71 - 4.5=37, 6219/1.8=15...(10) QD TYR 27 + HB2 LYS 36 OK 47 68 - 70 - 682/1.8=9, ~11208=8...(23) QD PHE 45 + HB2 LYS 36 OK 28 96 - 29 - 682/1.8=6, 704/3.0=5...(10) H GLU 37 + HB3 LYS 48 OK 23 80 - 29 - 6218=8, 6218/1.8=5...(7) HE3 TRP 17 + HB2 LYS 36 OK 23 100 - 23 - ~10779=8, 682/1.8=4...(7) H GLU 37 - HB2 LYS 48 OK 21 74 - 29 - 6218=8, 6218/1.8=6...(7) QD PHE 45 - HB3 LYS 48 OK 19 73 - 26 - 3.1/1021=5, ~1020=3...(13) QD PHE 45 - HB2 LYS 48 OK 17 67 - 26 - 3.1/1020=5, ~1021=3...(13) QD TYR 27 - HB3 LYS 48 lone 4 47 - 9 - 2.2/10813=1, 3.7/10970=1 QD TYR 27 - HB2 LYS 48 lone 4 43 - 8 - ~10813=1, 2.2/10813=1 HE3 TRP 17 - HB3 LYS 48 lone 2 79 - 2 - HE3 TRP 17 - HB2 LYS 48 lone 1 73 - 2 - HE3 TRP 88 - HB2 LYS 36 lone 1 62 - 2 - HE3 TRP 88 - HB3 LYS 48 lone 0 43 - 1 - HE3 TRP 88 - HB2 LYS 48 lone 0 39 - 1 - Peak 672 from cnoeabs.peaks (7.19, 2.09, 32.16 ppm; 3.62 A): 2 out of 3 assignments used, quality = 0.97: * H LYS 36 + HB3 LYS 36 OK 93 100 - 93 - 3.9=78, 6203/1.8=16...(15) QD TYR 27 + HB3 LYS 36 OK 59 72 - 82 - 3.7/10971=15...(23) HE3 TRP 88 - HB3 LYS 36 lone 8 77 - 10 - 647/3.0=2, 683/3.0=2...(5) Peak 673 from cnoeabs.peaks (3.87, 2.09, 32.16 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 Peak 674 from cnoeabs.peaks (1.87, 2.09, 32.16 ppm; 2.91 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 LYS 48 + HB3 LYS 36 OK 62 100 - 62 - 664=7, 662/3.0=5...(39) HB2 LYS 48 + HB3 LYS 36 OK 61 99 - 62 - 664=6, 1.8/664=5...(39) HB2 ARG 144 - HB3 LYS 36 OK 44 100 - 45 - 1.8/678=3, 685/3.0=3...(26) HB3 ARG 141 - HB3 LYS 36 OK 25 62 - 40 - 1.8/679=6, ~690=2...(19) HB3 LYS 85 - HB3 LYS 36 OK 12 81 - 15 - 3.6/677=1, 1.8/678=1 HG LEU 69 - HB3 LYS 36 lone 7 72 - 10 - 2.1/9892=3 HB3 LYS 76 - HB3 LYS 36 lone 1 62 - 2 - Peak 675 from cnoeabs.peaks (2.09, 2.09, 32.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 Peak 676 from cnoeabs.peaks (1.41, 2.09, 32.16 ppm; 4.02 A): 4 out of 7 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 ARG 35 + HB3 LYS 36 OK 54 94 - 57 - 4.3/672=14, 11623/3.0=9...(20) HG2 LYS 24 + HB3 LYS 36 OK 48 100 - 49 - 10901/4.8=11...(20) HG LEU 116 + HB3 LYS 36 OK 47 89 - 54 - ~9378=6, ~10295=6...(20) HG3 LYS 93 - HB3 LYS 36 OK 36 100 - 36 - 720/3.6=3, 698/3.0=2...(16) HD2 LYS 114 - HB3 LYS 36 OK 20 99 - 21 - 6205/3.9=3, 651/3.0=3...(8) HG12 ILE 91 - HB3 LYS 36 OK 12 68 - 18 - ~8990=4, 6220/4.5=3...(6) Peak 677 from cnoeabs.peaks (1.59, 2.09, 32.16 ppm; 3.86 A): 3 out of 10 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HG3 LYS 48 + HB3 LYS 36 OK 72 92 - 79 - 695/3.0=9, 2.9/674=8...(40) HG2 ARG 144 + HB3 LYS 36 OK 55 89 - 62 - 3.0/674=5, 688/3.0=5...(34) HG2 ARG 141 - HB3 LYS 36 OK 41 72 - 57 - 2.8/679=8, 688/3.0=4...(31) HB2 LEU 79 - HB3 LYS 36 OK 28 100 - 29 - 721/3.6=3, 688/3.0=3...(16) HG3 ARG 109 - HB3 LYS 36 OK 28 62 - 45 - 688/3.0=5, 721/3.6=5...(22) HD2 LYS 61 - HB3 LYS 36 OK 11 100 - 10 - HD3 LYS 61 - HB3 LYS 36 OK 11 100 - 10 - HG LEU 108 - HB3 LYS 36 lone 5 68 - 8 - 10228/4.5=2, ~10173=1 HB2 LEU 97 - HB3 LYS 36 lone 5 77 - 6 - Peak 678 from cnoeabs.peaks (1.73, 2.09, 32.16 ppm; 3.81 A): 4 out of 9 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.6=100 HB3 ARG 144 + HB3 LYS 36 OK 63 100 - 63 - 4894/1.8=7, 1.8/674=7...(32) HB3 GLU 81 + HB3 LYS 36 OK 54 98 - 55 - 708=5, 722/3.6=5...(26) HB2 GLU 81 + HB3 LYS 36 OK 52 94 - 55 - 722/3.6=5, 689/3.0=5...(27) HB2 ARG 49 - HB3 LYS 36 OK 40 89 - 45 - ~8195=10, ~8196=4...(19) HB3 ARG 109 - HB3 LYS 36 OK 35 85 - 41 - 2.8/677=5, 1.8/676=3...(21) HG LEU 66 - HB3 LYS 36 OK 23 92 - 25 - 2.9/677=3, ~9865=3...(12) HG3 ARG 89 - HB3 LYS 36 lone 5 94 - 6 - HG3 ARG 140 - HB3 LYS 36 lone 5 92 - 6 - Peak 679 from cnoeabs.peaks (1.82, 2.09, 32.16 ppm; 3.28 A): 2 out of 6 assignments used, quality = 0.98: * HD3 LYS 36 + HB3 LYS 36 OK 96 100 - 96 - 3.6=73, 717/3.0=16...(48) HB2 ARG 141 + HB3 LYS 36 OK 48 100 - 49 - 690/3.0=6, 701/3.0=5...(23) HB3 MET 68 - HB3 LYS 36 OK 36 100 - 36 - 690/3.0=4, 3.0/673=4...(13) HB3 LEU 72 - HB3 LYS 36 OK 13 72 - 18 - 3.0/673=2, 654/3.0=1...(8) HB VAL 80 - HB3 LYS 36 OK 12 99 - 12 - 690/3.0=2, 701/3.0=2...(4) HB2 MET 11 - HB3 LYS 36 OK 11 96 - 11 - 6223/4.5=2, 6208/3.9=1...(6) Peak 680 from cnoeabs.peaks (3.02, 2.09, 32.16 ppm; 4.96 A): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=100 HE3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=100 HD3 ARG 35 + HB3 LYS 36 OK 47 100 - 47 - 5.4/10784=10, 6209/3.9=9...(12) Peak 681 from cnoeabs.peaks (3.01, 2.09, 32.16 ppm; 4.96 A): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=100 HD3 ARG 35 + HB3 LYS 36 OK 47 100 - 47 - 5.4/10784=10, 6209/3.9=9...(12) Peak 682 from cnoeabs.peaks (7.21, 2.09, 32.16 ppm; 3.44 A): 4 out of 5 assignments used, quality = 0.95: * H GLU 37 + HB3 LYS 36 OK 78 100 - 78 - 4.5=44, 6218/1.8=18...(11) QD TYR 27 + HB3 LYS 36 OK 51 68 - 76 - 3.7/10971=14...(24) QD PHE 45 + HB3 LYS 36 OK 34 96 - 36 - 704/3.0=6, 657/3.0=5...(14) HE3 TRP 17 + HB3 LYS 36 OK 25 100 - 25 - ~10779=9, 657/3.0=4...(7) HE3 TRP 88 - HB3 LYS 36 lone 2 62 - 3 - Peak 683 from cnoeabs.peaks (7.19, 1.41, 25.32 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 36 + HG2 LYS 36 OK 96 100 - 96 - 4.6=75, 672/3.0=21...(19) QD TYR 27 + HG2 LYS 36 OK 59 72 - 82 - 672/3.0=13, ~10614=13...(18) HE3 TRP 88 - HG2 LYS 36 OK 11 77 - 14 - 694/1.8=2, 647/3.8=2...(6) Peak 684 from cnoeabs.peaks (3.87, 1.41, 25.32 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.8=100 Peak 685 from cnoeabs.peaks (1.87, 1.41, 25.32 ppm; 3.07 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 48 + HG2 LYS 36 OK 68 100 - 68 - 665=6, 696/1.8=6...(37) HB2 LYS 48 + HG2 LYS 36 OK 68 99 - 68 - 696/1.8=6, 2.9/688=5...(38) HB2 ARG 144 + HG2 LYS 36 OK 53 100 - 53 - 4887/1.8=5, 4886/2.9=5...(25) HB3 ARG 141 - HG2 LYS 36 OK 29 62 - 46 - 1.8/690=7, ~701=4...(20) HB3 LYS 85 - HG2 LYS 36 OK 14 81 - 17 - 696/1.8=1, 3.6/688=1...(4) HG LEU 69 - HG2 LYS 36 lone 6 72 - 8 - ~9892=2 HB3 LYS 76 - HG2 LYS 36 lone 2 62 - 2 - Peak 686 from cnoeabs.peaks (2.09, 1.41, 25.32 ppm; 3.86 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.0=100 HG3 PRO 33 + HG2 LYS 36 OK 60 100 - 60 - 3.8/10606=7, 719/2.9=6...(33) HG2 PRO 118 + HG2 LYS 36 OK 55 99 - 56 - 2.3/684=6, 697/1.8=5...(29) HG2 PRO 33 + HG2 LYS 36 OK 52 89 - 58 - 3.8/10606=7, 697/1.8=5...(33) HB3 GLN 25 - HG2 LYS 36 OK 23 98 - 24 - 650/3.8=3, 6204/4.6=3...(10) HB3 GLU 142 - HG2 LYS 36 lone 9 96 - 9 - 697/1.8=1 HB VAL 53 - HG2 LYS 36 lone 7 94 - 7 - HB2 GLU 131 - HG2 LYS 36 lone 7 99 - 7 - HB2 PRO 129 - HG2 LYS 36 lone 5 68 - 7 - HG2 GLU 122 - HG2 LYS 36 lone 5 72 - 6 - Peak 687 from cnoeabs.peaks (1.41, 1.41, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 Peak 688 from cnoeabs.peaks (1.59, 1.41, 25.32 ppm; 2.54 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 1.8=100 HG3 LYS 48 - HG2 LYS 36 OK 42 92 - 46 - 698=6, 2.9/685=3...(14) HG2 ARG 144 - HG2 LYS 36 OK 29 89 - 33 - 3.0/685=3, 721/2.9=2...(12) HG2 ARG 141 - HG2 LYS 36 OK 22 72 - 30 - 2.8/690=4, 721/2.9=2...(11) HG3 ARG 109 - HG2 LYS 36 OK 15 62 - 24 - 721/2.9=2, 677/3.0=2...(6) HB2 LEU 79 - HG2 LYS 36 OK 15 100 - 15 - 3.1/11004=2, 721/2.9=1, ~2375=1 HD2 LYS 61 - HG2 LYS 36 lone 5 100 - 5 - HD3 LYS 61 - HG2 LYS 36 lone 5 100 - 4 - HG LEU 108 - HG2 LYS 36 lone 2 68 - 3 - HB2 LEU 97 - HG2 LYS 36 lone 2 77 - 2 - Peak 689 from cnoeabs.peaks (1.73, 1.41, 25.32 ppm; 3.44 A): 4 out of 9 assignments used, quality = 1.00: * HD2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 2.9=100 HB3 ARG 144 + HG2 LYS 36 OK 65 100 - 65 - 1.8/685=6, 4896/1.8=6...(39) HB3 GLU 81 + HG2 LYS 36 OK 61 98 - 62 - 709=6, 722/2.9=5...(44) HB2 GLU 81 + HG2 LYS 36 OK 59 94 - 62 - 722/2.9=5, 709=5...(45) HB3 ARG 109 - HG2 LYS 36 OK 38 85 - 45 - 2.8/688=5, 700/1.8=3...(25) HB2 ARG 49 - HG2 LYS 36 OK 36 89 - 41 - 1251=5, 1.8/1260=4...(19) HG LEU 66 - HG2 LYS 36 OK 26 92 - 29 - 2.1/9865=5, 2.9/688=3...(15) HG3 ARG 140 - HG2 LYS 36 lone 7 92 - 7 - HG3 ARG 89 - HG2 LYS 36 lone 7 94 - 7 - Peak 690 from cnoeabs.peaks (1.82, 1.41, 25.32 ppm; 3.38 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 2.9=100 HB2 ARG 141 + HG2 LYS 36 OK 58 100 - 58 - 701/1.8=7, 679/3.0=6...(32) HB3 MET 68 - HG2 LYS 36 OK 40 100 - 40 - 701/1.8=5, 679/3.0=5...(17) HB VAL 80 - HG2 LYS 36 OK 18 99 - 18 - 701/1.8=2, 679/3.0=1...(7) HB3 LEU 72 - HG2 LYS 36 OK 15 72 - 20 - 3.1/10173=2, 701/1.8=2...(6) HB2 MET 11 - HG2 LYS 36 OK 12 96 - 12 - 701/1.8=2, 679/3.0=1...(4) Peak 691 from cnoeabs.peaks (3.02, 1.41, 25.32 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HG2 LYS 36 OK 98 100 - 98 - 3.9=80, 703/1.8=15...(44) HE3 LYS 36 + HG2 LYS 36 OK 98 100 - 98 - 3.9=80, 703/1.8=15...(44) HD3 ARG 35 - HG2 LYS 36 OK 29 100 - 29 - 3.0/613=4, 6209/4.6=4...(11) Peak 692 from cnoeabs.peaks (3.01, 1.41, 25.32 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 98 100 - 98 - 3.9=80, 703/1.8=15...(44) HE2 LYS 36 + HG2 LYS 36 OK 98 100 - 98 - 3.9=80, 703/1.8=15...(44) HD3 ARG 35 - HG2 LYS 36 OK 29 100 - 29 - 3.0/613=4, 6209/4.6=4...(11) Peak 693 from cnoeabs.peaks (7.21, 1.41, 25.32 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.94: * H GLU 37 + HG2 LYS 36 OK 80 100 - 80 - 6218/3.0=16, 6223/2.9=16...(21) QD TYR 27 + HG2 LYS 36 OK 50 68 - 74 - ~10614=11, ~9779=11...(18) QD PHE 45 + HG2 LYS 36 OK 42 96 - 44 - 704/1.8=9, 657/3.8=7...(15) HE3 TRP 17 - HG2 LYS 36 OK 23 100 - 23 - 682/3.0=5, 657/3.8=4...(8) HE3 TRP 88 - HG2 LYS 36 lone 2 62 - 4 - Peak 694 from cnoeabs.peaks (7.19, 1.59, 25.32 ppm; 4.36 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 36 + HG3 LYS 36 OK 98 100 - 98 - 4.6=85, 683/1.8=23...(16) QD TYR 27 + HG3 LYS 36 OK 58 72 - 81 - 2.2/9779=18, 683/1.8=14...(15) H LYS 36 - HG3 LYS 48 OK 43 73 - 59 - 2.8/695=12, 6206=10...(16) HE3 TRP 88 - HG3 LYS 36 OK 11 77 - 14 - 683/1.8=3, 716/2.9=2...(6) QD TYR 27 - HG3 LYS 48 poor 5 46 - 12 - ~10813=2, 2.2/11181=2...(5) HE3 TRP 88 - HG3 LYS 48 lone 2 49 - 3 - Peak 695 from cnoeabs.peaks (3.87, 1.59, 25.32 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.8=100 HA LYS 36 + HG3 LYS 48 OK 51 73 - 70 - 652=11, 662/2.9=9...(26) Peak 696 from cnoeabs.peaks (1.87, 1.59, 25.32 ppm; 2.83 A): 6 out of 16 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 94 100 - 94 - 3.0=87, 718/2.9=8...(21) HB3 LYS 48 + HG3 LYS 48 OK 72 72 - 99 - 2.9=96, 1165/1.8=10...(66) HB2 LYS 48 + HG3 LYS 48 OK 70 70 - 99 - 2.9=96, 1153/1.8=10...(66) HB3 LYS 48 + HG3 LYS 36 OK 60 100 - 60 - 685/1.8=6, 666=5...(30) HB2 LYS 48 + HG3 LYS 36 OK 59 99 - 60 - 685/1.8=6, 718/2.9=4...(28) HB2 ARG 144 + HG3 LYS 36 OK 48 100 - 49 - 4887=5, 685/1.8=5...(19) HB2 LYS 36 - HG3 LYS 48 OK 33 73 - 46 - 3.0/695=5, 3.0/688=4...(22) HB3 ARG 141 - HG3 LYS 36 OK 25 62 - 40 - 1.8/701=5, ~690=4...(18) HB2 ARG 144 - HG3 LYS 48 OK 24 73 - 33 - 4887=4, 1174/1.8=3...(12) HB3 LYS 85 - HG3 LYS 48 OK 13 52 - 25 - 1174/1.8=3, ~8186=2...(9) HB3 ARG 141 - HG3 LYS 48 OK 12 38 - 32 - 1.8/701=3, 2.8/4808=3...(8) HB3 LYS 85 - HG3 LYS 36 OK 11 81 - 14 - 685/1.8=1 HG LEU 69 - HG3 LYS 36 lone 4 72 - 6 - ~9892=2 HB3 LYS 76 - HG3 LYS 48 poor 4 38 - 11 - 1174/1.8=1 HG LEU 69 - HG3 LYS 48 lone 3 46 - 6 - HB3 LYS 76 - HG3 LYS 36 lone 1 62 - 2 - Peak 697 from cnoeabs.peaks (2.09, 1.59, 25.32 ppm; 3.75 A): 5 out of 20 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 36 + HG3 LYS 48 OK 56 73 - 77 - 677=9, 3.0/695=8...(37) HG3 PRO 33 + HG3 LYS 36 OK 54 100 - 54 - 686/1.8=7, 719/2.9=5...(29) HG2 PRO 118 + HG3 LYS 36 OK 53 99 - 54 - 686/1.8=6, 2.3/695=6...(28) HG2 PRO 33 + HG3 LYS 36 OK 46 89 - 52 - 686/1.8=6, ~686=4...(29) HB3 GLN 25 - HG3 LYS 36 OK 22 98 - 22 - 650/3.8=3, 6204/4.6=3...(9) HB3 GLU 142 - HG3 LYS 36 lone 9 96 - 10 - 686/1.8=1 HB2 GLU 131 - HG3 LYS 36 lone 7 99 - 7 - HB VAL 53 - HG3 LYS 36 lone 6 94 - 6 - HB2 PRO 129 - HG3 LYS 36 lone 4 68 - 6 - HB3 GLN 25 - HG3 LYS 48 lone 4 69 - 6 - 2.9/9823=1 HG2 GLU 122 - HG3 LYS 36 lone 4 72 - 5 - HG3 PRO 33 - HG3 LYS 48 lone 3 72 - 5 - HG2 PRO 118 - HG3 LYS 48 lone 3 70 - 4 - HG2 PRO 33 - HG3 LYS 48 lone 2 59 - 4 - HB3 GLU 142 - HG3 LYS 48 lone 2 67 - 3 - HB2 PRO 129 - HG3 LYS 48 lone 1 42 - 4 - HB2 GLU 131 - HG3 LYS 48 lone 1 70 - 2 - HB VAL 53 - HG3 LYS 48 lone 1 64 - 1 - HG2 GLU 122 - HG3 LYS 48 lone 1 46 - 1 - Peak 698 from cnoeabs.peaks (1.41, 1.59, 25.32 ppm; 2.59 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 1.8=100 HG2 LYS 36 - HG3 LYS 48 OK 36 73 - 49 - 688=9, 685/2.9=4...(17) HG3 LYS 93 - HG3 LYS 48 OK 35 71 - 49 - 3063/3.0=4, 3062/3.0=4...(24) HG2 LYS 24 - HG3 LYS 36 OK 25 100 - 25 - 10906/1.8=5, 10901/3.9=4...(10) HG LEU 116 - HG3 LYS 36 OK 22 89 - 25 - 2.1/10689=2, ~3890=2...(14) HB2 ARG 35 - HG3 LYS 36 OK 21 94 - 23 - 4.3/6206=3, 11623/3.8=3...(12) HG3 LYS 93 - HG3 LYS 36 OK 16 100 - 16 - 676/3.0=1, 720/2.9=1 HD2 LYS 114 - HG3 LYS 48 OK 13 70 - 19 - 3790/1.8=3, 3787/4.9=2...(8) HG2 LYS 24 - HG3 LYS 48 OK 10 73 - 14 - 1187=3, ~10899=2, ~10883=1 HD2 LYS 114 - HG3 LYS 36 lone 8 99 - 8 - HG12 ILE 91 - HG3 LYS 48 poor 5 42 - 11 - 1187=2, ~9801=1...(4) HG LEU 116 - HG3 LYS 48 lone 4 59 - 7 - HG12 ILE 91 - HG3 LYS 36 lone 3 68 - 5 - HB2 ARG 35 - HG3 LYS 48 lone 2 64 - 4 - 4.3/6206=2 Peak 699 from cnoeabs.peaks (1.59, 1.59, 25.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 HG3 LYS 48 + HG3 LYS 48 OK 62 62 - 100 Peak 700 from cnoeabs.peaks (1.73, 1.59, 25.32 ppm; 3.48 A): 4 out of 18 assignments used, quality = 1.00: * HD2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 2.9=100 HB3 ARG 144 + HG3 LYS 36 OK 66 100 - 66 - 1.8/696=6, 689/1.8=6...(39) HB3 GLU 81 + HG3 LYS 36 OK 61 98 - 63 - 722/2.9=6, 689/1.8=6...(45) HB2 GLU 81 + HG3 LYS 36 OK 60 94 - 63 - 722/2.9=5, 689/1.8=5...(46) HD2 LYS 36 - HG3 LYS 48 OK 42 73 - 58 - 1.8/721=7, 2.9/688=6...(25) HB3 ARG 109 - HG3 LYS 36 OK 39 85 - 46 - 1.8/698=4, 689/1.8=3...(27) HB3 ARG 144 - HG3 LYS 48 OK 37 72 - 52 - 4894/2.9=6, 4894/2.9=6...(20) HB2 ARG 49 - HG3 LYS 36 OK 32 89 - 36 - 3.0/698=4, 1251/1.8=4...(17) HG LEU 66 - HG3 LYS 36 OK 26 92 - 29 - ~9865=3, 2.1/1908=3...(16) HB2 ARG 49 - HG3 LYS 48 OK 14 59 - 24 - 6464/4.9=5, 3.0/1243=3...(8) HG3 ARG 140 - HG3 LYS 36 lone 7 92 - 7 - HG3 ARG 89 - HG3 LYS 36 lone 6 94 - 6 - HG LEU 66 - HG3 LYS 48 lone 5 62 - 9 - ~1909=1, ~1917=1 HG3 ARG 89 - HG3 LYS 48 lone 5 64 - 8 - HB3 GLU 81 - HG3 LYS 48 lone 5 69 - 7 - HB2 GLU 81 - HG3 LYS 48 lone 4 64 - 7 - HG3 ARG 140 - HG3 LYS 48 lone 4 62 - 6 - 6464/4.9=1 HB3 ARG 109 - HG3 LYS 48 lone 4 56 - 7 - 3539/3.8=2 Peak 701 from cnoeabs.peaks (1.82, 1.59, 25.32 ppm; 3.03 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 2.9=100 HB2 ARG 141 + HG3 LYS 36 OK 50 100 - 50 - 690/1.8=7, 679/3.0=5...(22) HD3 LYS 36 - HG3 LYS 48 OK 35 73 - 49 - 721=7, 718/2.9=5...(21) HB3 MET 68 - HG3 LYS 36 OK 33 100 - 33 - 690/1.8=5, 679/3.0=4...(14) HB2 ARG 141 - HG3 LYS 48 OK 30 72 - 41 - 4781=3, 1.8/4790=3...(16) HB VAL 80 - HG3 LYS 36 OK 16 99 - 17 - 690/1.8=2, 3.7/6857=2...(4) HB3 LEU 72 - HG3 LYS 36 OK 11 72 - 15 - 690/1.8=2, 679/3.0=1...(5) HB2 MET 11 - HG3 LYS 36 lone 10 96 - 10 - 690/1.8=1, 679/3.0=1 HB3 MET 68 - HG3 LYS 48 poor 8 72 - 11 - HB VAL 80 - HG3 LYS 48 lone 2 70 - 3 - HB2 MET 11 - HG3 LYS 48 lone 2 67 - 3 - 4.2/10598=1 HB3 LEU 72 - HG3 LYS 48 lone 1 46 - 2 - Peak 702 from cnoeabs.peaks (3.02, 1.59, 25.32 ppm; 3.87 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=99, 691/1.8=18...(46) HE3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=99, 691/1.8=18...(46) HE2 LYS 36 - HG3 LYS 48 OK 32 73 - 44 - 3.0/721=6, 3.9/688=6...(20) HE3 LYS 36 - HG3 LYS 48 OK 32 73 - 44 - 3.0/721=6, 3.9/688=6...(20) HD3 ARG 35 - HG3 LYS 36 OK 31 100 - 31 - 691/1.8=5, 6209/4.6=5...(11) HD3 ARG 35 - HG3 LYS 48 lone 2 73 - 3 - Peak 703 from cnoeabs.peaks (3.01, 1.59, 25.32 ppm; 3.87 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=99, 692/1.8=18...(46) HE2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=99, 692/1.8=18...(46) HE3 LYS 36 - HG3 LYS 48 OK 32 73 - 44 - 3.0/721=6, 3.9/688=6...(20) HE2 LYS 36 - HG3 LYS 48 OK 32 73 - 44 - 3.0/721=6, 3.9/688=6...(20) HD3 ARG 35 - HG3 LYS 36 OK 31 100 - 31 - 692/1.8=5, 6209/4.6=5...(11) HD3 ARG 35 - HG3 LYS 48 lone 2 73 - 3 - Peak 704 from cnoeabs.peaks (7.21, 1.59, 25.32 ppm; 4.02 A): 3 out of 10 assignments used, quality = 0.93: * H GLU 37 + HG3 LYS 36 OK 79 100 - 79 - 6218/3.0=17, 6223/2.9=17...(19) QD TYR 27 + HG3 LYS 36 OK 48 68 - 72 - 2.2/9779=16, ~10614=11...(16) QD PHE 45 + HG3 LYS 36 OK 41 96 - 43 - 693/1.8=8, 657/3.8=7...(15) H GLU 37 - HG3 LYS 48 OK 28 73 - 39 - 3.6/695=9, 6221=7...(9) HE3 TRP 17 - HG3 LYS 36 OK 24 100 - 23 - 682/3.0=5, 693/1.8=5...(8) QD PHE 45 - HG3 LYS 48 OK 21 67 - 32 - ~1020=3, ~1021=3...(15) QD TYR 27 - HG3 LYS 48 lone 4 42 - 9 - ~10813=2, 2.2/11181=2, 647/695=1 HE3 TRP 17 - HG3 LYS 48 lone 2 72 - 3 - HE3 TRP 88 - HG3 LYS 36 lone 2 62 - 3 - HE3 TRP 88 - HG3 LYS 48 lone 1 38 - 2 - Peak 705 from cnoeabs.peaks (7.19, 1.73, 28.90 ppm; 4.27 A): 2 out of 9 assignments used, quality = 0.98: * H LYS 36 + HD2 LYS 36 OK 94 100 - 94 - 5.6=44, 6208/1.8=24...(21) QD TYR 27 + HD2 LYS 36 OK 57 72 - 79 - ~11490=14, 716/1.8=13...(18) H LYS 36 - HB3 GLU 81 OK 34 79 - 44 - 6207=6, 3.9/6222=6...(15) H LYS 36 - HB2 GLU 81 OK 29 67 - 44 - 6207=6, 6207/1.8=6...(15) HE3 TRP 88 - HD2 LYS 36 poor 10 77 - 12 - 716/1.8=2, 683/2.9=2...(5) QD TYR 27 - HB3 GLU 81 poor 5 50 - 10 - 2.2/10797=1, ~10797=1 QD TYR 27 - HB2 GLU 81 poor 5 41 - 11 - ~10797=1, 2.2/10797=1...(4) HE3 TRP 88 - HB3 GLU 81 lone 1 53 - 2 - HE3 TRP 88 - HB2 GLU 81 lone 1 45 - 2 - Peak 706 from cnoeabs.peaks (3.87, 1.73, 28.90 ppm; 6.54 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 5.3=100 HA LYS 36 + HB3 GLU 81 OK 60 79 - 76 - 3.6/6222=10, 3.8/700=8...(27) HA LYS 36 + HB2 GLU 81 OK 51 67 - 76 - 3.6/6222=10, 3.8/700=7...(26) Peak 707 from cnoeabs.peaks (1.87, 1.73, 28.90 ppm; 2.69 A): 4 out of 24 assignments used, quality = 0.97: * HB2 LYS 36 + HD2 LYS 36 OK 82 100 - 82 - 3.6=41, 718/1.8=10...(42) HB3 LYS 48 + HD2 LYS 36 OK 46 100 - 46 - 718/1.8=6, 685/2.9=4...(21) HB2 LYS 48 + HD2 LYS 36 OK 46 99 - 47 - 718/1.8=6, 685/2.9=4...(21) HB2 ARG 144 + HD2 LYS 36 OK 42 100 - 42 - 4886=8, 718/1.8=5...(18) HB2 LYS 36 - HB3 GLU 81 OK 25 79 - 32 - 667=3, 3.6/722=3...(16) HB2 LYS 36 - HB2 GLU 81 OK 22 67 - 33 - 667=3, 3.6/722=2...(18) HB2 ARG 144 - HB3 GLU 81 OK 21 78 - 27 - 4886=5, 4886/1.8=3...(5) HB3 ARG 141 - HD2 LYS 36 OK 20 62 - 32 - 1.8/712=4, 718/1.8=3...(17) HB2 ARG 144 - HB2 GLU 81 OK 18 67 - 27 - 4886=4, 4886/1.8=3...(4) HB3 LYS 85 - HB3 GLU 81 OK 13 57 - 23 - ~8780=3, ~8787=3...(12) HB3 LYS 85 - HB2 GLU 81 OK 10 48 - 22 - ~8780=3, ~8787=3...(11) HB3 LYS 85 - HD2 LYS 36 lone 7 81 - 8 - HB3 LYS 48 - HB3 GLU 81 lone 4 78 - 5 - HB2 LYS 48 - HB3 GLU 81 lone 4 76 - 5 - HB3 LYS 48 - HB2 GLU 81 lone 3 67 - 5 - HB2 LYS 48 - HB2 GLU 81 lone 3 64 - 5 - HB3 LYS 76 - HB3 GLU 81 lone 3 42 - 7 - 4.6/8677=1, ~11554=1 HB3 LYS 76 - HB2 GLU 81 lone 3 35 - 7 - 4.6/8677=2, ~11554=1 HG LEU 69 - HD2 LYS 36 lone 1 72 - 2 - HB3 ARG 141 - HB3 GLU 81 lone 1 42 - 2 - HB3 LYS 76 - HD2 LYS 36 lone 1 62 - 2 - HB3 ARG 141 - HB2 GLU 81 lone 1 35 - 2 - HG LEU 69 - HB3 GLU 81 lone 0 50 - 1 - HG LEU 69 - HB2 GLU 81 lone 0 41 - 1 - Peak 708 from cnoeabs.peaks (2.09, 1.73, 28.90 ppm; 3.37 A): 1 out of 30 assignments used, quality = 0.98: * HB3 LYS 36 + HD2 LYS 36 OK 98 100 - 98 - 3.6=80, 679/1.8=16...(48) HG3 PRO 33 - HD2 LYS 36 OK 41 100 - 41 - 719/1.8=6, 686/2.9=4...(21) HB3 LYS 36 - HB3 GLU 81 OK 37 79 - 47 - 678=5, 3.6/722=4...(26) HG2 PRO 33 - HD2 LYS 36 OK 33 89 - 38 - 719/1.8=5, ~719=4...(20) HB3 LYS 36 - HB2 GLU 81 OK 32 67 - 47 - 678=5, 678/1.8=4...(26) HG2 PRO 118 - HD2 LYS 36 OK 31 99 - 32 - 719/1.8=5, 686/2.9=4...(16) HG2 PRO 118 - HB3 GLU 81 OK 18 76 - 24 - 1.8/2452=3, ~2445=2...(10) HG2 PRO 118 - HB2 GLU 81 OK 15 64 - 23 - 1.8/2445=2, ~2452=2...(11) HB3 GLN 25 - HD2 LYS 36 OK 12 98 - 12 - 719/1.8=2, 697/2.9=2...(6) HB3 GLU 142 - HD2 LYS 36 lone 5 96 - 5 - HB VAL 53 - HB3 GLU 81 lone 4 70 - 6 - 10627/4.0=4 HB VAL 53 - HD2 LYS 36 lone 4 94 - 4 - HB2 GLU 131 - HD2 LYS 36 lone 4 99 - 3 - HB VAL 53 - HB2 GLU 81 lone 3 59 - 6 - 10627/4.0=4 HG2 GLU 122 - HD2 LYS 36 lone 2 72 - 3 - HG3 PRO 33 - HB3 GLU 81 lone 2 78 - 3 - HG3 PRO 33 - HB2 GLU 81 lone 2 67 - 3 - HB3 GLU 142 - HB3 GLU 81 lone 2 72 - 2 - HB2 GLU 131 - HB3 GLU 81 lone 2 76 - 2 - HG2 PRO 33 - HB3 GLU 81 lone 2 64 - 3 - HB2 GLU 131 - HB2 GLU 81 lone 2 64 - 3 - HB2 PRO 129 - HD2 LYS 36 lone 2 68 - 2 - HG2 PRO 33 - HB2 GLU 81 lone 1 54 - 2 - HB3 GLN 25 - HB3 GLU 81 lone 1 74 - 2 - HG2 GLU 122 - HB3 GLU 81 lone 1 50 - 2 - HB3 GLU 142 - HB2 GLU 81 lone 1 61 - 2 - HB3 GLN 25 - HB2 GLU 81 lone 1 63 - 2 - HG2 GLU 122 - HB2 GLU 81 lone 1 41 - 2 - HB2 PRO 129 - HB3 GLU 81 lone 0 46 - 1 - HB2 PRO 129 - HB2 GLU 81 lone 0 38 - 1 - Peak 709 from cnoeabs.peaks (1.41, 1.73, 28.90 ppm; 3.20 A): 1 out of 21 assignments used, quality = 1.00: * HG2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 2.9=100 HG2 LYS 36 - HB3 GLU 81 OK 44 79 - 57 - 689=6, 2.9/722=5...(28) HG2 LYS 36 - HB2 GLU 81 OK 38 67 - 57 - 689=6, 689/1.8=5...(28) HG2 LYS 24 - HD2 LYS 36 OK 34 100 - 34 - 10901/3.0=9, 720/1.8=5...(13) HB2 ARG 35 - HD2 LYS 36 OK 32 94 - 34 - 4.3/6207=5, 720/1.8=5...(16) HG LEU 116 - HD2 LYS 36 OK 26 89 - 30 - 720/1.8=4, 2.1/10691=3...(16) HG3 LYS 93 - HD2 LYS 36 OK 19 100 - 19 - 720/1.8=3, 676/3.6=2, 698/2.9=2 HD2 LYS 114 - HD2 LYS 36 OK 11 99 - 11 - 720/1.8=1, 6205/5.6=1, 676/3.6=1 HD2 LYS 114 - HB3 GLU 81 poor 10 76 - 13 - 10268/4.0=8 HD2 LYS 114 - HB2 GLU 81 poor 8 64 - 13 - 10268/4.0=8 HB2 ARG 35 - HB3 GLU 81 lone 7 70 - 10 - 10801/4.6=5, 4.3/6207=2 HB2 ARG 35 - HB2 GLU 81 lone 6 59 - 9 - 10801/4.6=5, 4.3/6207=2 HG3 LYS 93 - HB3 GLU 81 lone 5 77 - 7 - 3056/4.6=2 HG12 ILE 91 - HD2 LYS 36 lone 5 68 - 7 - HG3 LYS 93 - HB2 GLU 81 lone 4 66 - 6 - 3056/4.6=2 HG2 LYS 24 - HB3 GLU 81 lone 4 79 - 5 - HG LEU 116 - HB3 GLU 81 lone 4 64 - 6 - ~10691=1 HG2 LYS 24 - HB2 GLU 81 lone 3 67 - 5 - HG LEU 116 - HB2 GLU 81 lone 3 54 - 5 - 2.1/10691=1 HG12 ILE 91 - HB3 GLU 81 lone 1 46 - 2 - HG12 ILE 91 - HB2 GLU 81 lone 1 38 - 2 - Peak 710 from cnoeabs.peaks (1.59, 1.73, 28.90 ppm; 2.91 A): 1 out of 30 assignments used, quality = 0.99: * HG3 LYS 36 + HD2 LYS 36 OK 99 100 - 99 - 2.9=97, 1.8/709=8...(37) HG3 LYS 48 - HD2 LYS 36 OK 39 92 - 43 - 721/1.8=5, 688/2.9=5...(19) HG2 ARG 144 - HD2 LYS 36 OK 38 89 - 43 - 1.8/4913=6, 721/1.8=4...(17) HG3 LYS 36 - HB3 GLU 81 OK 38 79 - 48 - 2.9/722=4, 1.8/689=4...(20) HG3 LYS 36 - HB2 GLU 81 OK 33 67 - 48 - 2.9/722=4, 700=4...(22) HG2 ARG 141 - HD2 LYS 36 OK 28 72 - 39 - 4904=4, 721/1.8=3...(17) HG3 ARG 109 - HD2 LYS 36 OK 20 62 - 33 - 721/1.8=4, 688/2.9=3...(13) HB2 LEU 79 - HD2 LYS 36 OK 20 100 - 20 - 721/1.8=3, ~8730=2...(8) HG2 ARG 144 - HB3 GLU 81 OK 14 64 - 22 - 1.8/4913=3, 3.0/4886=3...(7) HG2 ARG 144 - HB2 GLU 81 OK 12 54 - 21 - 3.0/4886=2, 1.8/4913=2...(9) HB2 LEU 79 - HB3 GLU 81 OK 10 78 - 13 - ~8786=2, ~8786=2...(7) HB2 LEU 79 - HB2 GLU 81 poor 10 67 - 15 - 4.1/8767=3, ~8786=2...(7) HD2 LYS 61 - HD2 LYS 36 lone 6 100 - 6 - HG3 ARG 109 - HB3 GLU 81 poor 6 42 - 14 - ~8786=2, 2.8/3533=1...(6) HD3 LYS 61 - HD2 LYS 36 lone 6 100 - 5 - HG3 ARG 109 - HB2 GLU 81 poor 5 35 - 14 - ~8786=2, 3561/1.8=1...(4) HG3 LYS 48 - HB3 GLU 81 lone 3 67 - 5 - HG3 LYS 48 - HB2 GLU 81 lone 3 56 - 5 - HG LEU 108 - HD2 LYS 36 lone 2 68 - 3 - HB2 LEU 97 - HD2 LYS 36 lone 2 77 - 2 - HG2 ARG 141 - HB3 GLU 81 lone 2 50 - 3 - HG2 ARG 141 - HB2 GLU 81 lone 1 41 - 3 - HG LEU 108 - HB3 GLU 81 lone 1 46 - 2 - HG LEU 108 - HB2 GLU 81 lone 1 38 - 2 - HD3 LYS 61 - HB3 GLU 81 lone 1 79 - 1 - HD2 LYS 61 - HB3 GLU 81 lone 1 79 - 1 - HB2 LEU 97 - HB3 GLU 81 lone 1 53 - 1 - HB2 LEU 97 - HB2 GLU 81 lone 1 45 - 1 - HD2 LYS 61 - HB2 GLU 81 lone 0 67 - 1 - HD3 LYS 61 - HB2 GLU 81 lone 0 67 - 1 - Peak 711 from cnoeabs.peaks (1.73, 1.73, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HB3 GLU 81 + HB3 GLU 81 OK 74 74 - 100 HB2 GLU 81 + HB2 GLU 81 OK 59 59 - 100 Peak 712 from cnoeabs.peaks (1.82, 1.73, 28.90 ppm; 2.50 A): 1 out of 18 assignments used, quality = 1.00: * HD3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 1.8=100 HD3 LYS 36 - HB3 GLU 81 OK 34 79 - 44 - 722=8, 722/1.8=5...(13) HB2 ARG 141 - HD2 LYS 36 OK 32 100 - 32 - 690/2.9=3, 701/2.9=3...(17) HD3 LYS 36 - HB2 GLU 81 OK 29 67 - 44 - 722=7, 722/1.8=5...(13) HB3 MET 68 - HD2 LYS 36 OK 18 100 - 19 - 690/2.9=2, 701/2.9=2...(6) HB VAL 80 - HB3 GLU 81 OK 15 76 - 20 - 2418/4.0=5, ~9969=3...(11) HB VAL 80 - HB2 GLU 81 OK 13 64 - 19 - 2418/4.0=5, ~9969=3...(10) HB VAL 80 - HD2 LYS 36 lone 10 99 - 10 - 4.7/2448=1, 690/2.9=1 HB2 MET 11 - HD2 LYS 36 lone 6 96 - 6 - HB3 LEU 72 - HD2 LYS 36 lone 6 72 - 8 - HB3 LEU 72 - HB3 GLU 81 lone 3 50 - 5 - ~8533=1, ~9966=1 HB2 ARG 141 - HB3 GLU 81 lone 2 78 - 3 - HB2 ARG 141 - HB2 GLU 81 lone 2 67 - 3 - HB3 LEU 72 - HB2 GLU 81 lone 2 41 - 5 - ~8533=1, ~9966=1 HB3 MET 68 - HB3 GLU 81 lone 2 78 - 2 - 6873/4.0=1 HB3 MET 68 - HB2 GLU 81 lone 2 67 - 2 - 6873/4.0=1 HB2 MET 11 - HB3 GLU 81 lone 1 72 - 1 - HB2 MET 11 - HB2 GLU 81 lone 1 61 - 1 - Peak 713 from cnoeabs.peaks (3.02, 1.73, 28.90 ppm; 3.20 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE2 LYS 36 - HB3 GLU 81 OK 36 79 - 46 - 3.0/722=5, 733=4...(21) HE3 LYS 36 - HB3 GLU 81 OK 36 78 - 46 - 3.0/722=5, 744=4...(21) HE2 LYS 36 - HB2 GLU 81 OK 31 67 - 46 - 3.0/722=5, 733=4...(20) HE3 LYS 36 - HB2 GLU 81 OK 31 67 - 46 - 3.0/722=5, 744=4...(20) HD3 ARG 35 - HD2 LYS 36 OK 19 100 - 19 - 724/1.8=3, 691/2.9=3...(9) HD3 ARG 35 - HB3 GLU 81 lone 1 79 - 2 - HD3 ARG 35 - HB2 GLU 81 lone 1 67 - 2 - Peak 714 from cnoeabs.peaks (3.01, 1.73, 28.90 ppm; 3.20 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 36 - HB3 GLU 81 OK 36 79 - 46 - 3.0/722=5, 744=4...(21) HE2 LYS 36 - HB3 GLU 81 OK 36 78 - 46 - 3.0/722=5, 733=4...(21) HE3 LYS 36 - HB2 GLU 81 OK 31 67 - 46 - 3.0/722=5, 744=4...(20) HE2 LYS 36 - HB2 GLU 81 OK 31 67 - 46 - 3.0/722=5, 733=4...(20) HD3 ARG 35 - HD2 LYS 36 OK 19 100 - 19 - 724/1.8=3, 692/2.9=3...(9) HD3 ARG 35 - HB3 GLU 81 lone 1 78 - 2 - HD3 ARG 35 - HB2 GLU 81 lone 1 67 - 2 - Peak 715 from cnoeabs.peaks (7.21, 1.73, 28.90 ppm; 4.05 A): 4 out of 15 assignments used, quality = 0.96: * H GLU 37 + HD2 LYS 36 OK 76 100 - 76 - 6223/1.8=21, 6218/3.6=15...(12) QD TYR 27 + HD2 LYS 36 OK 49 68 - 72 - ~11490=12, 726/1.8=9...(19) H GLU 37 + HB3 GLU 81 OK 45 79 - 58 - 6222=10, 6222/1.8=7...(24) H GLU 37 + HB2 GLU 81 OK 38 67 - 57 - 6222=9, 6222/1.8=8...(24) QD PHE 45 - HD2 LYS 36 OK 35 96 - 36 - 704/2.9=8, 693/2.9=7...(8) HE3 TRP 17 - HD2 LYS 36 OK 23 100 - 23 - 726/1.8=4, 682/3.6=4...(8) QD PHE 45 - HB3 GLU 81 lone 6 72 - 8 - ~8769=1, ~8771=1 QD PHE 45 - HB2 GLU 81 lone 5 61 - 8 - ~8769=1, ~8771=1 QD TYR 27 - HB3 GLU 81 lone 4 46 - 9 - 2.2/10797=1 HE3 TRP 17 - HB3 GLU 81 lone 4 78 - 5 - 4769/3.0=2 QD TYR 27 - HB2 GLU 81 lone 4 38 - 10 - ~10797=1, 2.2/10797=1 HE3 TRP 17 - HB2 GLU 81 lone 3 67 - 5 - 4769/3.0=2 HE3 TRP 88 - HD2 LYS 36 lone 2 62 - 3 - HE3 TRP 88 - HB3 GLU 81 lone 0 42 - 1 - HE3 TRP 88 - HB2 GLU 81 lone 0 35 - 1 - Peak 716 from cnoeabs.peaks (7.19, 1.82, 28.90 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.98: * H LYS 36 + HD3 LYS 36 OK 96 100 - 96 - 5.6=50, 2.8/717=32...(21) QD TYR 27 + HD3 LYS 36 OK 58 72 - 81 - 2.2/11490=20, 672/3.6=13...(17) HE3 TRP 88 - HD3 LYS 36 OK 10 77 - 13 - 683/2.9=2, 705/1.8=2...(6) Peak 717 from cnoeabs.peaks (3.87, 1.82, 28.90 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.99: * HA LYS 36 + HD3 LYS 36 OK 99 100 - 99 - 5.3=59, 2.8/6208=22...(45) Peak 718 from cnoeabs.peaks (1.87, 1.82, 28.90 ppm; 2.81 A): 3 out of 8 assignments used, quality = 0.96: * HB2 LYS 36 + HD3 LYS 36 OK 86 100 - 86 - 3.6=46, 1.8/679=12...(45) HB3 LYS 48 + HD3 LYS 36 OK 50 100 - 50 - 668=6, 1.8/668=4...(24) HB2 LYS 48 + HD3 LYS 36 OK 49 99 - 50 - 668=6, 1.8/668=5...(24) HB2 ARG 144 - HD3 LYS 36 OK 39 100 - 40 - 4886/1.8=6, 1.8/722=5...(19) HB3 ARG 141 - HD3 LYS 36 OK 23 62 - 38 - 2.8/4806=4, 3.0/4770=3...(20) HB3 LYS 85 - HD3 LYS 36 lone 8 81 - 9 - HG LEU 69 - HD3 LYS 36 lone 2 72 - 3 - HB3 LYS 76 - HD3 LYS 36 lone 1 62 - 1 - Peak 719 from cnoeabs.peaks (2.09, 1.82, 28.90 ppm; 3.49 A): 1 out of 10 assignments used, quality = 0.99: * HB3 LYS 36 + HD3 LYS 36 OK 99 100 - 99 - 3.6=89, 3.0/717=19...(50) HG3 PRO 33 - HD3 LYS 36 OK 42 100 - 42 - 686/2.9=4, 708/1.8=4...(20) HG2 PRO 118 - HD3 LYS 36 OK 37 99 - 38 - 686/2.9=4, 697/2.9=4...(20) HG2 PRO 33 - HD3 LYS 36 OK 34 89 - 39 - 686/2.9=4, 708/1.8=4...(19) HB3 GLN 25 - HD3 LYS 36 OK 12 98 - 13 - 697/2.9=2, 686/2.9=2...(6) HB3 GLU 142 - HD3 LYS 36 lone 7 96 - 7 - 4.0/7851=2 HB2 GLU 131 - HD3 LYS 36 lone 5 99 - 5 - HB VAL 53 - HD3 LYS 36 lone 4 94 - 4 - HG2 GLU 122 - HD3 LYS 36 lone 2 72 - 3 - HB2 PRO 129 - HD3 LYS 36 lone 2 68 - 2 - Peak 720 from cnoeabs.peaks (1.41, 1.82, 28.90 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 2.9=100 HG2 LYS 24 - HD3 LYS 36 OK 41 100 - 41 - 10901/3.0=11...(17) HB2 ARG 35 - HD3 LYS 36 OK 40 94 - 42 - 4.3/6208=10, 11623/5.3=6...(19) HG LEU 116 - HD3 LYS 36 OK 31 89 - 35 - ~10691=4, 698/2.9=4...(19) HG3 LYS 93 - HD3 LYS 36 OK 22 100 - 22 - 676/3.6=2, 709/1.8=2...(8) HD2 LYS 114 - HD3 LYS 36 OK 12 99 - 13 - 6205/5.6=1, 676/3.6=1...(5) HG12 ILE 91 - HD3 LYS 36 lone 6 68 - 9 - Peak 721 from cnoeabs.peaks (1.59, 1.82, 28.90 ppm; 3.14 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 2.9=100 HG3 LYS 48 + HD3 LYS 36 OK 47 92 - 51 - 701=6, 2.9/718=5...(21) HG2 ARG 144 - HD3 LYS 36 OK 42 89 - 47 - 3.0/718=4, 3.0/722=4...(23) HG2 ARG 141 - HD3 LYS 36 OK 32 72 - 45 - 1.8/4806=6, 2.8/4788=4...(20) HB2 LEU 79 - HD3 LYS 36 OK 25 100 - 25 - 4.1/6863=3, ~8730=2...(11) HG3 ARG 109 - HD3 LYS 36 OK 23 62 - 37 - 688/2.9=4, 2.8/720=3...(15) HD2 LYS 61 - HD3 LYS 36 lone 6 100 - 6 - HD3 LYS 61 - HD3 LYS 36 lone 6 100 - 6 - HG LEU 108 - HD3 LYS 36 lone 3 68 - 4 - HB2 LEU 97 - HD3 LYS 36 lone 3 77 - 3 - Peak 722 from cnoeabs.peaks (1.73, 1.82, 28.90 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HD2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 GLU 81 - HD3 LYS 36 OK 41 98 - 42 - 712=6, 1.8/712=3...(13) HB2 GLU 81 - HD3 LYS 36 OK 40 94 - 42 - 712=5, 1.8/712=4...(13) HB3 ARG 144 - HD3 LYS 36 OK 35 100 - 35 - 1.8/718=4, ~4886=2...(18) HB3 ARG 109 - HD3 LYS 36 OK 20 85 - 23 - 2.8/721=3, 1.8/720=2...(7) HB2 ARG 49 - HD3 LYS 36 OK 15 89 - 17 - 3.0/720=2, 1251/2.9=1...(6) HG LEU 66 - HD3 LYS 36 OK 11 92 - 12 - 2.9/721=1 HG3 ARG 140 - HD3 LYS 36 lone 4 92 - 4 - HG3 ARG 89 - HD3 LYS 36 lone 3 94 - 3 - Peak 723 from cnoeabs.peaks (1.82, 1.82, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 Peak 724 from cnoeabs.peaks (3.02, 1.82, 28.90 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HD3 ARG 35 - HD3 LYS 36 OK 19 100 - 19 - 691/2.9=3, 3.8/720=3...(9) Peak 725 from cnoeabs.peaks (3.01, 1.82, 28.90 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HD3 ARG 35 - HD3 LYS 36 OK 19 100 - 19 - 692/2.9=3, 3.8/720=3...(9) Peak 726 from cnoeabs.peaks (7.21, 1.82, 28.90 ppm; 4.19 A): 3 out of 5 assignments used, quality = 0.96: * H GLU 37 + HD3 LYS 36 OK 88 100 - 88 - 3.6/717=25, 6223=25...(19) QD TYR 27 + HD3 LYS 36 OK 49 68 - 72 - 2.2/11490=17, ~9779=9...(17) QD PHE 45 + HD3 LYS 36 OK 36 96 - 37 - 704/2.9=9, 693/2.9=7...(10) HE3 TRP 17 - HD3 LYS 36 OK 23 100 - 23 - 682/3.6=4, 693/2.9=4...(8) HE3 TRP 88 - HD3 LYS 36 lone 2 62 - 3 - Peak 727 from cnoeabs.peaks (7.19, 3.02, 42.54 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 36 + HE2 LYS 36 OK 93 100 - 93 - 6.7=26, 6208/3.0=20...(26) H LYS 36 + HE3 LYS 36 OK 93 100 - 93 - 6.7=26, 6208/3.0=20...(25) QD TYR 27 - HE2 LYS 36 OK 45 72 - 62 - ~11490=11, 716/3.0=11...(11) QD TYR 27 - HE3 LYS 36 OK 44 72 - 62 - ~11490=11, 716/3.0=11...(11) HE3 TRP 88 - HE2 LYS 36 poor 9 77 - 11 - 716/3.0=2, 683/3.9=2...(5) HE3 TRP 88 - HE3 LYS 36 poor 8 77 - 11 - 716/3.0=2, 683/3.9=2...(5) Peak 728 from cnoeabs.peaks (3.87, 3.02, 42.54 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 36 + HE2 LYS 36 OK 96 100 - 96 - 6.4=28, 717/3.0=28...(43) HA LYS 36 + HE3 LYS 36 OK 96 100 - 96 - 6.4=28, 717/3.0=28...(43) Peak 730 from cnoeabs.peaks (2.09, 3.02, 42.54 ppm; 4.72 A): 8 out of 20 assignments used, quality = 1.00: * HB3 LYS 36 + HE2 LYS 36 OK 100 100 - 100 - 4.8=98, 679/3.0=20...(50) HB3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 - 4.8=98, 679/3.0=20...(50) HG3 PRO 33 + HE3 LYS 36 OK 57 100 - 57 - 719/3.0=7, ~10611=6...(21) HG3 PRO 33 + HE2 LYS 36 OK 57 100 - 57 - 719/3.0=7, 2.3/10617=6...(21) HG2 PRO 118 + HE2 LYS 36 OK 52 99 - 52 - 719/3.0=6, 686/3.9=6...(20) HG2 PRO 118 + HE3 LYS 36 OK 51 99 - 52 - 719/3.0=6, 686/3.9=6...(20) HG2 PRO 33 + HE2 LYS 36 OK 48 89 - 54 - 2.3/10617=6, 719/3.0=6...(22) HG2 PRO 33 + HE3 LYS 36 OK 48 88 - 54 - 2.3/10617=6, 719/3.0=6...(22) HB3 GLN 25 - HE2 LYS 36 OK 19 98 - 19 - 697/3.9=3, 686/3.9=3...(9) HB3 GLN 25 - HE3 LYS 36 OK 19 98 - 19 - 697/3.9=3, 686/3.9=3...(9) HB3 GLU 142 - HE2 LYS 36 lone 7 96 - 7 - 719/3.0=1 HB3 GLU 142 - HE3 LYS 36 lone 7 96 - 7 - 719/3.0=1 HB2 GLU 131 - HE2 LYS 36 lone 6 99 - 6 - HB2 GLU 131 - HE3 LYS 36 lone 6 99 - 6 - HB VAL 53 - HE2 LYS 36 lone 5 94 - 6 - HB VAL 53 - HE3 LYS 36 lone 5 94 - 6 - HG2 GLU 122 - HE2 LYS 36 lone 4 72 - 5 - HG2 GLU 122 - HE3 LYS 36 lone 4 72 - 5 - HB2 PRO 129 - HE2 LYS 36 lone 2 68 - 3 - HB2 PRO 129 - HE3 LYS 36 lone 2 67 - 3 - Peak 731 from cnoeabs.peaks (1.41, 3.02, 42.54 ppm; 3.28 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 36 + HE2 LYS 36 OK 95 100 - 95 - 3.9=60, 692/1.8=13...(44) HG2 LYS 36 + HE3 LYS 36 OK 95 100 - 95 - 3.9=60, 691/1.8=13...(44) HG2 LYS 24 - HE3 LYS 36 OK 27 100 - 28 - 10901/1.8=10, 720/3.0=4...(8) HB2 ARG 35 - HE2 LYS 36 OK 27 94 - 29 - 4.3/6209=5, 3.6/11671=4...(9) HB2 ARG 35 - HE3 LYS 36 OK 27 94 - 29 - 4.3/6209=5, 3.6/11671=4...(9) HG2 LYS 24 - HE2 LYS 36 OK 23 100 - 23 - 10901=5, 720/3.0=4...(8) HG LEU 116 - HE2 LYS 36 OK 15 89 - 17 - 720/3.0=3, ~10691=3...(7) HG LEU 116 - HE3 LYS 36 OK 15 88 - 17 - 720/3.0=3, ~10691=3...(7) HG3 LYS 93 - HE2 LYS 36 OK 10 100 - 10 - 720/3.0=2, 676/4.8=1...(5) HG3 LYS 93 - HE3 LYS 36 lone 9 99 - 9 - 720/3.0=2, 676/4.8=1...(4) HD2 LYS 114 - HE2 LYS 36 lone 7 99 - 7 - 720/3.0=1 HD2 LYS 114 - HE3 LYS 36 lone 7 99 - 7 - 720/3.0=1 HG12 ILE 91 - HE2 LYS 36 lone 3 68 - 5 - HG12 ILE 91 - HE3 LYS 36 lone 3 67 - 5 - Peak 732 from cnoeabs.peaks (1.59, 3.02, 42.54 ppm; 3.35 A): 2 out of 20 assignments used, quality = 1.00: * HG3 LYS 36 + HE2 LYS 36 OK 96 100 - 96 - 3.9=64, 1.8/691=14...(44) HG3 LYS 36 + HE3 LYS 36 OK 96 100 - 96 - 3.9=64, 1.8/691=14...(44) HG3 LYS 48 - HE2 LYS 36 OK 32 92 - 35 - 721/3.0=5, 688/3.9=4...(18) HG3 LYS 48 - HE3 LYS 36 OK 32 91 - 35 - 721/3.0=5, 688/3.9=4...(18) HG2 ARG 144 - HE2 LYS 36 OK 28 89 - 32 - 721/3.0=4, 688/3.9=3...(14) HG2 ARG 144 - HE3 LYS 36 OK 28 88 - 32 - 721/3.0=4, 688/3.9=3...(14) HG2 ARG 141 - HE2 LYS 36 OK 22 72 - 31 - 721/3.0=3, 4904/3.0=3...(17) HG2 ARG 141 - HE3 LYS 36 OK 22 72 - 31 - 721/3.0=3, 4904/3.0=3...(17) HB2 LEU 79 - HE2 LYS 36 OK 20 100 - 20 - 3.1/8730=6, ~8730=4...(8) HB2 LEU 79 - HE3 LYS 36 OK 20 100 - 20 - 3.1/8730=5, ~8730=4...(8) HG3 ARG 109 - HE2 LYS 36 OK 17 62 - 28 - 721/3.0=4, 688/3.9=3...(14) HG3 ARG 109 - HE3 LYS 36 OK 17 62 - 28 - 721/3.0=4, 688/3.9=3...(14) HD2 LYS 61 - HE2 LYS 36 lone 5 100 - 5 - HD2 LYS 61 - HE3 LYS 36 lone 5 100 - 5 - HD3 LYS 61 - HE2 LYS 36 lone 5 100 - 5 - HD3 LYS 61 - HE3 LYS 36 lone 5 100 - 5 - HB2 LEU 97 - HE2 LYS 36 lone 2 77 - 2 - HB2 LEU 97 - HE3 LYS 36 lone 2 77 - 2 - HG LEU 108 - HE2 LYS 36 lone 1 68 - 2 - HG LEU 108 - HE3 LYS 36 lone 1 67 - 2 - Peak 733 from cnoeabs.peaks (1.73, 3.02, 42.54 ppm; 2.94 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 36 + HE2 LYS 36 OK 98 100 - 98 - 3.0=95, 1.8/734=9...(28) HD2 LYS 36 + HE3 LYS 36 OK 98 100 - 98 - 3.0=95, 1.8/734=9...(28) HB3 GLU 81 - HE2 LYS 36 OK 39 98 - 40 - 722/3.0=4, 713=4...(15) HB3 GLU 81 - HE3 LYS 36 OK 39 98 - 40 - 722/3.0=4, 714=4...(15) HB2 GLU 81 - HE2 LYS 36 OK 38 94 - 41 - 722/3.0=4, 713=3...(15) HB2 GLU 81 - HE3 LYS 36 OK 38 94 - 41 - 722/3.0=4, 714=3...(15) HB3 ARG 144 - HE2 LYS 36 OK 30 100 - 30 - 722/3.0=3, 689/3.9=2...(14) HB3 ARG 144 - HE3 LYS 36 OK 30 100 - 30 - 722/3.0=3, 689/3.9=2...(14) HB3 ARG 109 - HE2 LYS 36 OK 19 85 - 23 - 722/3.0=2, 2.8/732=2...(9) HB3 ARG 109 - HE3 LYS 36 OK 19 85 - 23 - 722/3.0=2, 2.8/743=2...(9) HB2 ARG 49 - HE2 LYS 36 OK 14 89 - 16 - 1251/3.9=2, 722/3.0=2...(7) HB2 ARG 49 - HE3 LYS 36 OK 14 88 - 16 - 1251/3.9=2, 722/3.0=2...(7) HG LEU 66 - HE2 LYS 36 poor 10 92 - 11 - 722/3.0=1 HG LEU 66 - HE3 LYS 36 poor 10 91 - 11 - 722/3.0=1 HG3 ARG 140 - HE2 LYS 36 lone 3 92 - 3 - HG3 ARG 140 - HE3 LYS 36 lone 3 91 - 3 - HG3 ARG 89 - HE2 LYS 36 lone 3 94 - 3 - HG3 ARG 89 - HE3 LYS 36 lone 3 94 - 3 - Peak 734 from cnoeabs.peaks (1.82, 3.02, 42.54 ppm; 2.99 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 ARG 141 - HE2 LYS 36 OK 30 100 - 30 - 690/3.9=4, 712/3.0=3...(13) HB2 ARG 141 - HE3 LYS 36 OK 29 100 - 30 - 690/3.9=4, 712/3.0=3...(13) HB3 MET 68 - HE2 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(5) HB3 MET 68 - HE3 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(5) HB VAL 80 - HE2 LYS 36 OK 10 99 - 10 - 690/3.9=1 HB VAL 80 - HE3 LYS 36 OK 10 99 - 10 - 690/3.9=1 HB2 MET 11 - HE3 LYS 36 lone 9 96 - 9 - 4.2/9762=2 HB2 MET 11 - HE2 LYS 36 lone 9 96 - 9 - 4.2/9762=2 HB3 LEU 72 - HE2 LYS 36 poor 7 72 - 10 - HB3 LEU 72 - HE3 LYS 36 poor 7 72 - 10 - Peak 735 from cnoeabs.peaks (3.02, 3.02, 42.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 Peak 736 from cnoeabs.peaks (3.01, 3.02, 42.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 Reference assignment not found: HE3 LYS 36 - HE2 LYS 36 Peak 737 from cnoeabs.peaks (7.21, 3.02, 42.54 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.95: * H GLU 37 + HE2 LYS 36 OK 72 100 - 72 - 6223/3.0=17, 3.6/728=13...(22) H GLU 37 + HE3 LYS 36 OK 72 100 - 72 - 6223/3.0=17, 3.6/728=13...(22) QD TYR 27 + HE2 LYS 36 OK 35 68 - 52 - ~11490=10, 2.2/11162=8...(11) QD TYR 27 - HE3 LYS 36 OK 35 67 - 52 - ~11490=10, 2.2/11162=8...(11) QD PHE 45 - HE2 LYS 36 OK 28 96 - 29 - 704/3.9=7, 693/3.9=5...(7) QD PHE 45 - HE3 LYS 36 OK 28 96 - 29 - 704/3.9=7, 693/3.9=5...(7) HE3 TRP 17 - HE2 LYS 36 OK 20 100 - 20 - 726/3.0=3, 693/3.9=3...(8) HE3 TRP 17 - HE3 LYS 36 OK 20 100 - 20 - 726/3.0=3, 693/3.9=3...(8) HE3 TRP 88 - HE2 LYS 36 lone 2 62 - 3 - HE3 TRP 88 - HE3 LYS 36 lone 2 62 - 2 - Peak 738 from cnoeabs.peaks (7.19, 3.01, 42.54 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 36 + HE3 LYS 36 OK 93 100 - 93 - 6.7=26, 6208/3.0=20...(25) H LYS 36 + HE2 LYS 36 OK 93 100 - 93 - 6.7=26, 6208/3.0=20...(25) QD TYR 27 - HE3 LYS 36 OK 45 72 - 62 - ~11490=11, 716/3.0=11...(11) QD TYR 27 - HE2 LYS 36 OK 44 72 - 62 - ~11490=11, 716/3.0=11...(11) HE3 TRP 88 - HE3 LYS 36 poor 9 77 - 11 - 716/3.0=2, 683/3.9=2...(5) HE3 TRP 88 - HE2 LYS 36 poor 8 77 - 11 - 716/3.0=2, 683/3.9=2...(5) Peak 739 from cnoeabs.peaks (3.87, 3.01, 42.54 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 36 + HE3 LYS 36 OK 96 100 - 96 - 6.4=28, 717/3.0=28...(43) HA LYS 36 + HE2 LYS 36 OK 96 100 - 96 - 6.4=28, 717/3.0=28...(43) Peak 741 from cnoeabs.peaks (2.09, 3.01, 42.54 ppm; 4.72 A): 8 out of 20 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 - 4.8=98, 679/3.0=20...(50) HB3 LYS 36 + HE2 LYS 36 OK 100 100 - 100 - 4.8=98, 679/3.0=20...(50) HG3 PRO 33 + HE3 LYS 36 OK 57 100 - 57 - 719/3.0=7, ~10611=6...(21) HG3 PRO 33 + HE2 LYS 36 OK 56 100 - 57 - 719/3.0=7, 2.3/10617=6...(21) HG2 PRO 118 + HE3 LYS 36 OK 52 99 - 52 - 719/3.0=6, 686/3.9=6...(20) HG2 PRO 118 + HE2 LYS 36 OK 51 99 - 52 - 719/3.0=6, 686/3.9=6...(20) HG2 PRO 33 + HE3 LYS 36 OK 48 89 - 54 - 2.3/10617=6, 719/3.0=6...(22) HG2 PRO 33 + HE2 LYS 36 OK 48 88 - 54 - 2.3/10617=6, 719/3.0=6...(22) HB3 GLN 25 - HE3 LYS 36 OK 19 98 - 19 - 697/3.9=3, 686/3.9=3...(9) HB3 GLN 25 - HE2 LYS 36 OK 19 98 - 19 - 697/3.9=3, 686/3.9=3...(9) HB3 GLU 142 - HE3 LYS 36 lone 7 96 - 7 - 719/3.0=1 HB3 GLU 142 - HE2 LYS 36 lone 7 96 - 7 - 719/3.0=1 HB2 GLU 131 - HE3 LYS 36 lone 6 99 - 6 - HB2 GLU 131 - HE2 LYS 36 lone 6 99 - 6 - HB VAL 53 - HE3 LYS 36 lone 5 94 - 6 - HB VAL 53 - HE2 LYS 36 lone 5 94 - 6 - HG2 GLU 122 - HE3 LYS 36 lone 4 72 - 5 - HG2 GLU 122 - HE2 LYS 36 lone 4 72 - 5 - HB2 PRO 129 - HE3 LYS 36 lone 2 68 - 3 - HB2 PRO 129 - HE2 LYS 36 lone 2 67 - 4 - Peak 742 from cnoeabs.peaks (1.41, 3.01, 42.54 ppm; 3.28 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 36 + HE3 LYS 36 OK 95 100 - 95 - 3.9=60, 691/1.8=13...(44) HG2 LYS 36 + HE2 LYS 36 OK 95 100 - 95 - 3.9=60, 692/1.8=13...(44) HG2 LYS 24 - HE3 LYS 36 OK 27 100 - 28 - 10901/1.8=10, 720/3.0=4...(8) HB2 ARG 35 - HE2 LYS 36 OK 27 94 - 29 - 4.3/6210=5, 3.6/11671=4...(9) HB2 ARG 35 - HE3 LYS 36 OK 27 94 - 28 - 4.3/6210=5, 3.6/11671=4...(9) HG2 LYS 24 - HE2 LYS 36 OK 23 100 - 23 - 10901=4, 720/3.0=4...(8) HG LEU 116 - HE3 LYS 36 OK 15 89 - 17 - 720/3.0=3, ~10691=3...(7) HG LEU 116 - HE2 LYS 36 OK 15 88 - 17 - 720/3.0=3, ~10691=3...(7) HG3 LYS 93 - HE2 LYS 36 lone 10 99 - 10 - 720/3.0=2, 676/4.8=1...(5) HG3 LYS 93 - HE3 LYS 36 lone 9 100 - 9 - 720/3.0=2, 676/4.8=1...(4) HD2 LYS 114 - HE2 LYS 36 lone 7 99 - 7 - 720/3.0=1 HD2 LYS 114 - HE3 LYS 36 lone 7 99 - 7 - 720/3.0=1 HG12 ILE 91 - HE3 LYS 36 lone 3 68 - 5 - HG12 ILE 91 - HE2 LYS 36 lone 3 67 - 5 - Peak 743 from cnoeabs.peaks (1.59, 3.01, 42.54 ppm; 3.35 A): 2 out of 20 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 96 100 - 96 - 3.9=64, 1.8/692=14...(44) HG3 LYS 36 + HE2 LYS 36 OK 96 100 - 96 - 3.9=64, 1.8/692=14...(44) HG3 LYS 48 - HE3 LYS 36 OK 32 92 - 35 - 721/3.0=5, 688/3.9=4...(18) HG3 LYS 48 - HE2 LYS 36 OK 32 91 - 35 - 721/3.0=5, 688/3.9=4...(18) HG2 ARG 144 - HE3 LYS 36 OK 28 89 - 32 - 721/3.0=4, 688/3.9=3...(14) HG2 ARG 144 - HE2 LYS 36 OK 28 88 - 32 - 721/3.0=4, 688/3.9=3...(14) HG2 ARG 141 - HE3 LYS 36 OK 22 72 - 31 - 721/3.0=3, 4904/3.0=3...(17) HG2 ARG 141 - HE2 LYS 36 OK 22 72 - 31 - 721/3.0=3, 4904/3.0=3...(17) HB2 LEU 79 - HE3 LYS 36 OK 19 100 - 19 - 3.1/8730=5, ~8730=4...(8) HB2 LEU 79 - HE2 LYS 36 OK 19 100 - 19 - 3.1/8730=5, ~8730=4...(8) HG3 ARG 109 - HE3 LYS 36 OK 17 62 - 28 - 721/3.0=4, 688/3.9=3...(14) HG3 ARG 109 - HE2 LYS 36 OK 17 62 - 28 - 721/3.0=4, 688/3.9=3...(14) HD2 LYS 61 - HE3 LYS 36 lone 5 100 - 5 - HD2 LYS 61 - HE2 LYS 36 lone 5 100 - 5 - HD3 LYS 61 - HE3 LYS 36 lone 5 100 - 5 - HD3 LYS 61 - HE2 LYS 36 lone 5 100 - 5 - HB2 LEU 97 - HE3 LYS 36 lone 2 77 - 2 - HB2 LEU 97 - HE2 LYS 36 lone 2 77 - 2 - HG LEU 108 - HE3 LYS 36 lone 1 68 - 2 - HG LEU 108 - HE2 LYS 36 lone 1 67 - 2 - Peak 744 from cnoeabs.peaks (1.73, 3.01, 42.54 ppm; 2.94 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 36 + HE3 LYS 36 OK 98 100 - 98 - 3.0=95, 1.8/745=9...(28) HD2 LYS 36 + HE2 LYS 36 OK 98 100 - 98 - 3.0=95, 1.8/745=9...(28) HB3 GLU 81 - HE3 LYS 36 OK 39 98 - 40 - 722/3.0=4, 714=4...(15) HB3 GLU 81 - HE2 LYS 36 OK 39 98 - 40 - 722/3.0=4, 713=4...(15) HB2 GLU 81 - HE3 LYS 36 OK 38 94 - 40 - 722/3.0=4, 714=3...(15) HB2 GLU 81 - HE2 LYS 36 OK 38 94 - 40 - 722/3.0=4, 713=3...(15) HB3 ARG 144 - HE3 LYS 36 OK 30 100 - 30 - 722/3.0=3, 689/3.9=2...(14) HB3 ARG 144 - HE2 LYS 36 OK 30 100 - 30 - 722/3.0=3, 689/3.9=2...(14) HB3 ARG 109 - HE3 LYS 36 OK 19 85 - 23 - 722/3.0=2, 2.8/743=2...(9) HB3 ARG 109 - HE2 LYS 36 OK 19 85 - 23 - 722/3.0=2, 2.8/732=2...(9) HB2 ARG 49 - HE3 LYS 36 OK 14 89 - 16 - 1251/3.9=2, 722/3.0=2...(7) HB2 ARG 49 - HE2 LYS 36 OK 14 88 - 16 - 1251/3.9=2, 722/3.0=2...(7) HG LEU 66 - HE3 LYS 36 poor 10 92 - 11 - 722/3.0=1 HG LEU 66 - HE2 LYS 36 poor 10 91 - 11 - 722/3.0=1 HG3 ARG 140 - HE3 LYS 36 lone 3 92 - 3 - HG3 ARG 140 - HE2 LYS 36 lone 3 91 - 3 - HG3 ARG 89 - HE3 LYS 36 lone 3 94 - 3 - HG3 ARG 89 - HE2 LYS 36 lone 3 94 - 3 - Peak 745 from cnoeabs.peaks (1.82, 3.01, 42.54 ppm; 2.99 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 ARG 141 - HE3 LYS 36 OK 30 100 - 30 - 690/3.9=4, 712/3.0=3...(13) HB2 ARG 141 - HE2 LYS 36 OK 29 100 - 30 - 690/3.9=4, 712/3.0=3...(13) HB3 MET 68 - HE3 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(5) HB3 MET 68 - HE2 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(5) HB VAL 80 - HE3 LYS 36 OK 10 99 - 10 - 690/3.9=1 HB VAL 80 - HE2 LYS 36 OK 10 99 - 10 - 690/3.9=1 HB2 MET 11 - HE3 LYS 36 lone 9 96 - 9 - 4.2/9762=2 HB2 MET 11 - HE2 LYS 36 lone 9 96 - 9 - 4.2/9762=2 HB3 LEU 72 - HE3 LYS 36 poor 7 72 - 10 - HB3 LEU 72 - HE2 LYS 36 poor 7 72 - 10 - Peak 746 from cnoeabs.peaks (3.02, 3.01, 42.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 Reference assignment not found: HE2 LYS 36 - HE3 LYS 36 Peak 747 from cnoeabs.peaks (3.01, 3.01, 42.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 Peak 748 from cnoeabs.peaks (7.21, 3.01, 42.54 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.95: * H GLU 37 + HE3 LYS 36 OK 72 100 - 72 - 6223/3.0=17, 3.6/739=13...(22) H GLU 37 + HE2 LYS 36 OK 72 100 - 72 - 6223/3.0=17, 3.6/739=13...(22) QD TYR 27 + HE3 LYS 36 OK 35 68 - 52 - ~11490=10, 2.2/11162=8...(11) QD TYR 27 - HE2 LYS 36 OK 35 67 - 52 - ~11490=10, 2.2/11162=8...(11) QD PHE 45 - HE3 LYS 36 OK 28 96 - 29 - 704/3.9=7, 693/3.9=5...(7) QD PHE 45 - HE2 LYS 36 OK 28 96 - 29 - 704/3.9=7, 693/3.9=5...(7) HE3 TRP 17 - HE3 LYS 36 OK 20 100 - 20 - 726/3.0=3, 693/3.9=3...(8) HE3 TRP 17 - HE2 LYS 36 OK 20 100 - 20 - 726/3.0=3, 693/3.9=3...(8) HE3 TRP 88 - HE3 LYS 36 lone 2 62 - 2 - HE3 TRP 88 - HE2 LYS 36 lone 2 62 - 2 - Peak 749 from cnoeabs.peaks (7.21, 4.02, 58.63 ppm; 3.36 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 37 + HA GLU 37 OK 100 100 - 100 - 2.8=100 H GLU 37 - HA GLU 81 OK 29 77 - 38 - 6226=10, 6222/3.0=4...(15) QD PHE 45 - HA GLU 37 OK 24 96 - 25 - 657/4.9=4, ~1027=3...(13) HE3 TRP 17 - HA GLU 37 OK 10 100 - 10 - 657/4.9=2, ~5522=2...(5) QD TYR 27 - HA GLU 37 poor 7 68 - 11 - 647/4.9=3, ~5554=2, ~301=2 HE3 TRP 88 - HA GLU 37 lone 2 62 - 4 - 6237/3.6=1 HE3 TRP 17 - HA GLU 81 lone 2 76 - 3 - QD PHE 45 - HA GLU 81 lone 1 70 - 2 - QD TYR 27 - HA GLU 81 lone 1 45 - 3 - HE3 TRP 88 - HA GLU 81 lone 0 41 - 1 - Peak 750 from cnoeabs.peaks (4.02, 4.02, 58.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HA GLU 37 OK 100 100 - 100 HA GLU 81 + HA GLU 81 OK 77 77 - 100 Peak 751 from cnoeabs.peaks (2.01, 4.02, 58.63 ppm; 2.72 A): 2 out of 14 assignments used, quality = 0.99: * HB2 GLU 37 + HA GLU 37 OK 89 100 - 89 - 3.0=73, 3.0/753=13...(21) HB3 GLU 37 + HA GLU 37 OK 88 100 - 89 - 3.0=73, 3.0/753=13...(21) HB2 GLU 37 - HA GLU 81 OK 17 77 - 22 - 3.0/774=3, 760=3...(8) HB3 GLU 37 - HA GLU 81 OK 17 75 - 22 - 3.0/774=3, 767=3...(8) HB3 GLU 90 - HA GLU 37 OK 11 92 - 12 - 2926/3.0=2, 6228/2.8=1 QE MET 11 - HA GLU 37 lone 8 81 - 10 - 3.3/754=2, 46/3.8=1...(4) HB2 GLU 90 - HA GLU 37 poor 8 68 - 11 - 2920/3.0=1, 2920/3.0=1 HG3 GLU 122 - HA GLU 37 lone 7 89 - 7 - HG3 PRO 52 - HA GLU 37 lone 4 77 - 5 - ~6215=1, 6228/2.8=1 HG3 GLU 122 - HA GLU 81 lone 1 62 - 2 - HB3 GLU 90 - HA GLU 81 lone 1 65 - 1 - QE MET 11 - HA GLU 81 lone 1 56 - 1 - HB2 GLU 90 - HA GLU 81 lone 0 45 - 1 - HG3 PRO 52 - HA GLU 81 lone 0 52 - 1 - Peak 752 from cnoeabs.peaks (2.01, 4.02, 58.63 ppm; 2.72 A): 2 out of 14 assignments used, quality = 0.99: * HB3 GLU 37 + HA GLU 37 OK 89 100 - 89 - 3.0=73, 3.0/753=13...(21) HB2 GLU 37 + HA GLU 37 OK 88 100 - 89 - 3.0=73, 3.0/753=13...(21) HB3 GLU 37 - HA GLU 81 OK 17 77 - 22 - 3.0/774=3, 767=3...(8) HB2 GLU 37 - HA GLU 81 OK 17 75 - 22 - 3.0/774=3, 760=3...(8) HB3 GLU 90 - HA GLU 37 OK 12 98 - 12 - 2926/3.0=2, 6228/2.8=1 QE MET 11 - HA GLU 37 poor 10 92 - 10 - 3.3/754=2, 46/3.8=2...(4) HG3 GLU 122 - HA GLU 37 lone 7 96 - 8 - HG3 PRO 52 - HA GLU 37 lone 4 89 - 5 - ~6215=1, 6228/2.8=1 HB2 GLN 111 - HA GLU 81 lone 4 49 - 8 - ~10178=5 HG3 GLU 122 - HA GLU 81 lone 1 70 - 2 - HB2 GLN 111 - HA GLU 37 lone 1 72 - 2 - HB3 GLU 90 - HA GLU 81 lone 1 72 - 1 - QE MET 11 - HA GLU 81 lone 1 65 - 1 - HG3 PRO 52 - HA GLU 81 lone 1 62 - 1 - Peak 753 from cnoeabs.peaks (2.23, 4.02, 58.63 ppm; 3.21 A): 3 out of 4 assignments used, quality = 0.93: * HG2 GLU 37 + HA GLU 37 OK 90 100 - 90 - 3.8=59, 1.8/754=21...(16) HG2 GLU 37 + HA GLU 81 OK 21 77 - 28 - 774=9, 1.8/781=5...(8) HG2 GLU 28 + HA GLU 37 OK 10 72 - 14 - 6229/2.8=3, 3.0/9776=3...(7) HG2 GLU 28 - HA GLU 81 poor 5 49 - 10 - 3.0/9776=4, 3.0/8052=2 Peak 754 from cnoeabs.peaks (2.38, 4.02, 58.63 ppm; 3.22 A): 2 out of 14 assignments used, quality = 0.94: * HG3 GLU 37 + HA GLU 37 OK 90 100 - 90 - 3.8=59, 1.8/753=25...(17) HB ILE 91 + HA GLU 37 OK 38 99 - 38 - ~8998=7, 781=6...(13) HG3 GLU 37 - HA GLU 81 OK 19 77 - 25 - 1.8/774=7, 781=6...(7) HG3 MET 11 - HA GLU 37 OK 18 92 - 20 - 41/3.0=4, 41/3.0=3...(8) HG2 MET 46 - HA GLU 37 OK 13 98 - 13 - ~8172=4, 6230/2.8=3...(5) HG3 MET 59 - HA GLU 37 lone 8 99 - 8 - 6230/2.8=1, 3.4/10401=1 HG2 MET 59 - HA GLU 37 lone 8 100 - 8 - 6230/2.8=1, 3.4/10401=1 HG2 GLN 25 - HA GLU 37 lone 6 99 - 6 - 6230/2.8=2 HB ILE 91 - HA GLU 81 lone 2 74 - 3 - HG2 MET 59 - HA GLU 81 lone 2 77 - 2 - HG3 MET 59 - HA GLU 81 lone 2 74 - 2 - HG3 MET 11 - HA GLU 81 lone 2 65 - 2 - HG2 GLN 25 - HA GLU 81 lone 1 74 - 2 - HG2 MET 46 - HA GLU 81 lone 1 72 - 2 - Peak 755 from cnoeabs.peaks (7.87, 4.02, 58.63 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 38 + HA GLU 37 OK 100 100 - 100 - 3.6=100 H PHE 38 - HA GLU 81 OK 18 77 - 24 - 6238=8, 3.6/6226=6...(8) Peak 756 from cnoeabs.peaks (8.57, 4.02, 58.63 ppm; 3.89 A): 5 out of 6 assignments used, quality = 0.87: * H ASP 40 + HA GLU 37 OK 66 100 - 66 - 6273=23, 6274/3.6=18...(10) H LYS 85 + HA GLU 81 OK 27 52 - 52 - 3.1/6919=13, 6948=12...(12) H ASP 40 + HA GLU 81 OK 23 77 - 30 - 6273=10, 3.3/757=4...(9) H LYS 85 + HA GLU 37 OK 17 77 - 21 - 6948=5, 3.1/6919=4...(6) H LEU 72 + HA GLU 81 OK 16 72 - 22 - 8533/3.7=9, 9967/3.7=5 H LEU 72 - HA GLU 37 poor 10 98 - 10 - 6250/3.6=3 Peak 757 from cnoeabs.peaks (2.83, 4.02, 58.63 ppm; 3.74 A): 5 out of 10 assignments used, quality = 0.69: * HB2 ASP 40 + HA GLU 37 OK 44 100 - 44 - 1.8/758=15, 3.3/6273=12...(7) HB2 ASN 139 + HA GLU 81 OK 18 74 - 24 - 3.5/9744=6, 1.8/2440=4...(7) HB2 ASP 40 + HA GLU 81 OK 15 77 - 19 - 3.3/6273=5, 1.8/758=5...(6) HE3 LYS 114 + HA GLU 81 OK 13 68 - 20 - ~10268=7, 1.8/758=5...(4) HB3 ASN 54 + HA GLU 37 OK 10 99 - 10 - 1.8/758=4, 877=2...(4) HB2 ASN 139 - HA GLU 37 lone 8 99 - 8 - 3.5/9744=3, 877=1 HE3 LYS 114 - HA GLU 37 lone 7 94 - 8 - 1.8/758=3, 886/758=1...(4) HB3 ASN 54 - HA GLU 81 lone 3 74 - 4 - HB2 ASN 130 - HA GLU 81 lone 2 74 - 3 - HB2 ASN 130 - HA GLU 37 lone 1 99 - 1 - Peak 758 from cnoeabs.peaks (2.75, 4.02, 58.63 ppm; 3.42 A): 3 out of 18 assignments used, quality = 0.52: * HB3 ASP 40 + HA GLU 37 OK 38 100 - 39 - 1.8/757=12, 3.3/6273=10...(9) HE2 LYS 114 + HA GLU 81 OK 11 72 - 16 - ~10268=5, ~10207=4...(4) HB3 ASP 40 + HA GLU 81 OK 11 77 - 14 - 3.3/6273=4, 1.8/757=4...(4) HB2 ASN 54 - HA GLU 37 lone 9 99 - 9 - 1.8/757=3, 10446/3.0=2 HE2 LYS 114 - HA GLU 37 lone 6 98 - 6 - 1.8/757=2 HE2 LYS 76 - HA GLU 81 lone 5 74 - 7 - ~8777=4 HE3 LYS 76 - HA GLU 81 lone 4 65 - 6 - ~8777=4 HG3 MET 113 - HA GLU 37 lone 3 98 - 3 - HE2 LYS 76 - HA GLU 37 lone 2 99 - 2 - HE3 LYS 76 - HA GLU 37 lone 2 92 - 2 - HB2 ASN 54 - HA GLU 81 lone 2 74 - 3 - HB3 PHE 43 - HA GLU 37 lone 2 92 - 2 - HG3 MET 113 - HA GLU 81 lone 1 72 - 2 - HB3 PHE 43 - HA GLU 81 lone 1 65 - 2 - HB3 ASP 137 - HA GLU 37 lone 1 92 - 1 - HB3 ASP 137 - HA GLU 81 lone 1 65 - 1 - HB2 ASN 96 - HA GLU 81 lone 0 37 - 1 - HB2 ASN 96 - HA GLU 37 lone 0 57 - 1 - Peak 759 from cnoeabs.peaks (7.21, 2.01, 30.23 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.98: * H GLU 37 + HB2 GLU 37 OK 88 100 - 88 - 4.0=52, 6229/3.0=19...(19) H GLU 37 + HB3 GLU 37 OK 87 98 - 88 - 4.0=52, 6229/3.0=19...(19) QD PHE 45 - HB2 GLU 37 lone 9 96 - 9 - 749/3.0=3, 773/3.0=2, 780/3.0=1 QD PHE 45 - HB3 GLU 37 lone 8 93 - 9 - 749/3.0=3, 773/3.0=2, 780/3.0=1 HE3 TRP 17 - HB2 GLU 37 lone 5 100 - 5 - 749/3.0=1, 773/3.0=1 HE3 TRP 17 - HB3 GLU 37 lone 5 98 - 5 - 749/3.0=1, 773/3.0=1 QD TYR 27 - HB2 GLU 37 lone 2 68 - 3 - QD TYR 27 - HB3 GLU 37 lone 2 63 - 3 - HE3 TRP 88 - HB2 GLU 37 lone 1 62 - 2 - HE3 TRP 88 - HB3 GLU 37 lone 1 59 - 2 - Peak 760 from cnoeabs.peaks (4.02, 2.01, 30.23 ppm; 3.15 A): 2 out of 14 assignments used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HA GLU 37 + HB3 GLU 37 OK 98 98 - 100 - 3.0=100 HA GLU 81 - HB2 GLU 37 OK 30 100 - 30 - 774/3.0=5, 781/3.0=4...(15) HA GLU 81 - HB3 GLU 37 OK 29 98 - 30 - 774/3.0=5, 781/3.0=4...(15) HA VAL 63 - HB2 GLU 37 poor 10 98 - 10 - 774/3.0=2, 781/3.0=1...(4) HA VAL 63 - HB3 GLU 37 poor 10 95 - 10 - 774/3.0=2, 781/3.0=1...(4) HA LYS 123 - HB2 GLU 37 lone 10 100 - 10 - 6226/4.0=1 HA LYS 123 - HB3 GLU 37 lone 9 98 - 10 - 6226/4.0=1, 2.9/7528=1 HB THR 107 - HB2 GLU 37 lone 9 99 - 9 - 781/3.0=2, 774/3.0=2...(4) HB THR 107 - HB3 GLU 37 lone 9 96 - 9 - 781/3.0=2, 774/3.0=2...(4) HB3 SER 100 - HB2 GLU 37 lone 1 89 - 1 - HB3 SER 100 - HB3 GLU 37 lone 1 85 - 1 - HB2 SER 103 - HB2 GLU 37 lone 1 89 - 1 - HB2 SER 103 - HB3 GLU 37 lone 1 85 - 1 - Peak 761 from cnoeabs.peaks (2.01, 2.01, 30.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 HB3 GLU 37 + HB3 GLU 37 OK 97 97 - 100 Peak 762 from cnoeabs.peaks (2.01, 2.01, 30.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 HB3 GLU 37 + HB3 GLU 37 OK 98 98 - 100 Reference assignment not found: HB3 GLU 37 - HB2 GLU 37 Peak 763 from cnoeabs.peaks (2.23, 2.01, 30.23 ppm; 3.13 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HB3 GLU 37 OK 98 98 - 100 - 3.0=100 HG2 GLU 28 - HB2 GLU 37 poor 10 72 - 13 - 6229/4.0=2, 753/3.0=2...(5) HG2 GLU 28 - HB3 GLU 37 poor 9 68 - 13 - 6229/4.0=2, 753/3.0=2...(5) Peak 764 from cnoeabs.peaks (2.38, 2.01, 30.23 ppm; 3.34 A): 2 out of 14 assignments used, quality = 1.00: * HG3 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HB3 GLU 37 OK 98 98 - 100 - 3.0=100 HG3 MET 11 - HB2 GLU 37 OK 39 92 - 43 - 41/1.8=5, 778/3.0=4...(20) HG3 MET 11 - HB3 GLU 37 OK 38 88 - 44 - 41=5, 41/1.8=5...(20) HB ILE 91 - HB2 GLU 37 OK 35 99 - 35 - 754/3.0=5, 784/3.0=5...(13) HB ILE 91 - HB3 GLU 37 OK 34 96 - 35 - 754/3.0=5, 784/3.0=5...(13) HG3 MET 59 - HB2 GLU 37 OK 11 99 - 11 - 754/3.0=1, 778/3.0=1 HG3 MET 59 - HB3 GLU 37 OK 11 96 - 11 - 754/3.0=1, 778/3.0=1 HG2 MET 59 - HB2 GLU 37 OK 11 100 - 11 - 754/3.0=1, 778/3.0=1 HG2 MET 59 - HB3 GLU 37 OK 10 98 - 11 - 754/3.0=1, 778/3.0=1 HG2 MET 46 - HB2 GLU 37 lone 9 98 - 9 - 6230/4.0=2, 754/3.0=2...(4) HG2 MET 46 - HB3 GLU 37 lone 9 95 - 10 - 6230/4.0=2, 754/3.0=2...(4) HG2 GLN 25 - HB2 GLU 37 lone 8 99 - 8 - 6230/4.0=1 HG2 GLN 25 - HB3 GLU 37 lone 8 96 - 8 - 6230/4.0=1 Peak 765 from cnoeabs.peaks (7.87, 2.01, 30.23 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.97: * H PHE 38 + HB2 GLU 37 OK 84 100 - 84 - 4.6=50, 779/3.0=23...(11) H PHE 38 + HB3 GLU 37 OK 82 98 - 84 - 4.6=50, 779/3.0=23...(11) Peak 766 from cnoeabs.peaks (7.21, 2.01, 30.23 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.98: * H GLU 37 + HB3 GLU 37 OK 88 100 - 88 - 4.0=52, 6229/3.0=19...(19) H GLU 37 + HB2 GLU 37 OK 87 98 - 88 - 4.0=52, 6229/3.0=19...(19) QD PHE 45 - HB3 GLU 37 lone 9 96 - 9 - 749/3.0=3, 773/3.0=2, 780/3.0=1 QD PHE 45 - HB2 GLU 37 lone 8 93 - 9 - 749/3.0=3, 773/3.0=2, 780/3.0=1 HE3 TRP 17 - HB3 GLU 37 lone 5 100 - 5 - 749/3.0=1, 773/3.0=1 HE3 TRP 17 - HB2 GLU 37 lone 5 98 - 5 - 749/3.0=1, 773/3.0=1 QD TYR 27 - HB3 GLU 37 lone 2 68 - 3 - QD TYR 27 - HB2 GLU 37 lone 2 63 - 3 - HE3 TRP 88 - HB3 GLU 37 lone 1 62 - 2 - HE3 TRP 88 - HB2 GLU 37 lone 1 59 - 2 - Peak 767 from cnoeabs.peaks (4.02, 2.01, 30.23 ppm; 3.15 A): 2 out of 14 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HA GLU 37 + HB2 GLU 37 OK 98 98 - 100 - 3.0=100 HA GLU 81 - HB3 GLU 37 OK 30 100 - 30 - 774/3.0=5, 781/3.0=4...(15) HA GLU 81 - HB2 GLU 37 OK 29 98 - 30 - 774/3.0=5, 781/3.0=4...(15) HA VAL 63 - HB3 GLU 37 OK 10 98 - 10 - 774/3.0=2, 781/3.0=1...(4) HA LYS 123 - HB3 GLU 37 lone 10 100 - 10 - 2.9/7528=1, 6226/4.0=1 HA VAL 63 - HB2 GLU 37 poor 10 95 - 10 - 774/3.0=2, 781/3.0=1...(4) HA LYS 123 - HB2 GLU 37 lone 9 98 - 10 - 6226/4.0=1, 2.9/7528=1 HB THR 107 - HB3 GLU 37 lone 9 99 - 9 - 781/3.0=2, 774/3.0=2...(4) HB THR 107 - HB2 GLU 37 lone 9 96 - 9 - 781/3.0=2, 774/3.0=2...(4) HB3 SER 100 - HB3 GLU 37 lone 1 89 - 1 - HB3 SER 100 - HB2 GLU 37 lone 1 85 - 1 - HB2 SER 103 - HB3 GLU 37 lone 1 89 - 1 - HB2 SER 103 - HB2 GLU 37 lone 1 85 - 1 - Peak 768 from cnoeabs.peaks (2.01, 2.01, 30.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 HB2 GLU 37 + HB2 GLU 37 OK 98 98 - 100 Reference assignment not found: HB2 GLU 37 - HB3 GLU 37 Peak 769 from cnoeabs.peaks (2.01, 2.01, 30.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 HB2 GLU 37 + HB2 GLU 37 OK 97 97 - 100 Peak 770 from cnoeabs.peaks (2.23, 2.01, 30.23 ppm; 3.13 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HB2 GLU 37 OK 98 98 - 100 - 3.0=100 HG2 GLU 28 - HB3 GLU 37 poor 10 72 - 13 - 6229/4.0=2, 753/3.0=2...(5) HG2 GLU 28 - HB2 GLU 37 poor 9 68 - 13 - 6229/4.0=2, 753/3.0=2...(5) Peak 771 from cnoeabs.peaks (2.38, 2.01, 30.23 ppm; 3.34 A): 2 out of 14 assignments used, quality = 1.00: * HG3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HB2 GLU 37 OK 98 98 - 100 - 3.0=100 HG3 MET 11 - HB3 GLU 37 OK 42 92 - 46 - 41=6, 1.8/35=5, 41/1.8=5...(20) HG3 MET 11 - HB2 GLU 37 OK 39 88 - 45 - 41/1.8=5, 41=5...(20) HB ILE 91 - HB3 GLU 37 OK 35 99 - 35 - 754/3.0=5, 784/3.0=5...(13) HB ILE 91 - HB2 GLU 37 OK 34 96 - 35 - 754/3.0=5, 784/3.0=5...(13) HG3 MET 59 - HB3 GLU 37 OK 11 99 - 11 - 754/3.0=1, 778/3.0=1 HG2 MET 59 - HB3 GLU 37 OK 11 100 - 11 - 754/3.0=1, 778/3.0=1 HG3 MET 59 - HB2 GLU 37 OK 11 96 - 11 - 754/3.0=1, 778/3.0=1 HG2 MET 59 - HB2 GLU 37 OK 10 98 - 11 - 754/3.0=1, 778/3.0=1 HG2 MET 46 - HB3 GLU 37 lone 9 98 - 10 - 6230/4.0=2, 754/3.0=2...(4) HG2 MET 46 - HB2 GLU 37 lone 9 95 - 9 - 6230/4.0=2, 754/3.0=2...(4) HG2 GLN 25 - HB3 GLU 37 lone 8 99 - 8 - 6230/4.0=1 HG2 GLN 25 - HB2 GLU 37 lone 7 96 - 8 - 6230/4.0=1 Peak 772 from cnoeabs.peaks (7.87, 2.01, 30.23 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.97: * H PHE 38 + HB3 GLU 37 OK 84 100 - 84 - 4.6=50, 779/3.0=23...(11) H PHE 38 + HB2 GLU 37 OK 82 98 - 84 - 4.6=50, 779/3.0=23...(11) Peak 773 from cnoeabs.peaks (7.21, 2.23, 36.00 ppm; 3.55 A): 2 out of 5 assignments used, quality = 0.91: * H GLU 37 + HG2 GLU 37 OK 90 100 - 90 - 4.4=51, 2.8/753=22...(16) QD PHE 45 + HG2 GLU 37 OK 11 96 - 12 - 749/3.8=3, 780/1.8=2...(5) HE3 TRP 17 - HG2 GLU 37 lone 6 100 - 6 - 749/3.8=1, 780/1.8=1 QD TYR 27 - HG2 GLU 37 lone 4 68 - 6 - 726/11486=2 HE3 TRP 88 - HG2 GLU 37 lone 2 62 - 3 - Peak 774 from cnoeabs.peaks (4.02, 2.23, 36.00 ppm; 3.15 A): 2 out of 7 assignments used, quality = 0.91: * HA GLU 37 + HG2 GLU 37 OK 88 100 - 88 - 3.8=55, 754/1.8=20...(16) HA GLU 81 + HG2 GLU 37 OK 26 100 - 26 - 753=8, 781/1.8=5...(8) HA VAL 63 - HG2 GLU 37 lone 9 98 - 9 - 781/1.8=2, ~8361=1, ~8360=1 HB THR 107 - HG2 GLU 37 lone 8 99 - 8 - 781/1.8=2, ~9253=2, ~9253=1 HA LYS 123 - HG2 GLU 37 lone 5 100 - 5 - 781/1.8=1, 6226/4.4=1 HB3 SER 100 - HG2 GLU 37 lone 1 89 - 1 - HB2 SER 103 - HG2 GLU 37 lone 1 89 - 1 - Peak 775 from cnoeabs.peaks (2.01, 2.23, 36.00 ppm; 2.50 A): 2 out of 7 assignments used, quality = 0.96: * HB2 GLU 37 + HG2 GLU 37 OK 80 100 - 80 - 3.0=58, 3.0/753=10...(17) HB3 GLU 37 + HG2 GLU 37 OK 80 100 - 80 - 3.0=58, 3.0/753=10...(17) HB3 GLU 90 - HG2 GLU 37 OK 10 92 - 11 - 783/1.8=1, 2926/3.0=1, ~783=1 QE MET 11 - HG2 GLU 37 lone 8 81 - 10 - 46/1.8=2, 3.3/778=2 HB2 GLU 90 - HG2 GLU 37 lone 6 68 - 10 - 2920/3.0=1 HG3 GLU 122 - HG2 GLU 37 lone 4 89 - 4 - HG3 PRO 52 - HG2 GLU 37 lone 2 77 - 2 - Peak 776 from cnoeabs.peaks (2.01, 2.23, 36.00 ppm; 2.50 A): 2 out of 7 assignments used, quality = 0.96: * HB3 GLU 37 + HG2 GLU 37 OK 80 100 - 80 - 3.0=58, 3.0/753=10...(17) HB2 GLU 37 + HG2 GLU 37 OK 80 100 - 80 - 3.0=58, 3.0/753=10...(17) HB3 GLU 90 - HG2 GLU 37 OK 11 98 - 12 - 2926/3.0=1, 783/1.8=1, ~783=1 QE MET 11 - HG2 GLU 37 poor 10 92 - 11 - 46/1.8=3, 3.3/778=2 HG3 GLU 122 - HG2 GLU 37 lone 4 96 - 4 - HG3 PRO 52 - HG2 GLU 37 lone 2 89 - 2 - HB2 GLN 111 - HG2 GLU 37 lone 1 72 - 1 - Peak 777 from cnoeabs.peaks (2.23, 2.23, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 Peak 778 from cnoeabs.peaks (2.38, 2.23, 36.00 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 1.8=100 HB ILE 91 - HG2 GLU 37 OK 20 99 - 21 - 784=7, 6230/4.4=2...(7) HG3 MET 11 - HG2 GLU 37 OK 18 92 - 20 - 41/3.0=2, 41/3.0=2...(8) HG3 MET 59 - HG2 GLU 37 lone 5 99 - 5 - HG2 MET 59 - HG2 GLU 37 lone 5 100 - 5 - HG2 MET 46 - HG2 GLU 37 lone 4 98 - 4 - HG2 GLN 25 - HG2 GLU 37 lone 4 99 - 4 - Peak 779 from cnoeabs.peaks (7.87, 2.23, 36.00 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.85: * H PHE 38 + HG2 GLU 37 OK 85 100 - 85 - 6241=44, 3.6/6229=26...(8) Peak 780 from cnoeabs.peaks (7.21, 2.38, 36.00 ppm; 3.27 A): 2 out of 10 assignments used, quality = 0.93: * H GLU 37 + HG3 GLU 37 OK 86 100 - 86 - 4.4=40, 6229/1.8=26...(15) H GLU 37 + HB ILE 91 OK 46 88 - 53 - 8998/2.1=16, 6230=11...(12) HE3 TRP 88 - HB ILE 91 OK 23 49 - 48 - ~8999=14, 8998/2.1=10...(12) QD PHE 45 - HB ILE 91 OK 22 81 - 27 - 8998/2.1=9, 9000/4.0=4...(9) QD PHE 45 - HG3 GLU 37 OK 11 96 - 12 - 773/1.8=3, 749/3.8=3...(4) QD TYR 27 - HB ILE 91 poor 7 53 - 14 - 8998/2.1=4, 8997/3.0=3...(6) HE3 TRP 17 - HG3 GLU 37 lone 6 100 - 6 - 773/1.8=2, 749/3.8=1 HE3 TRP 17 - HB ILE 91 lone 5 87 - 6 - 9004/4.7=1 HE3 TRP 88 - HG3 GLU 37 lone 3 62 - 4 - QD TYR 27 - HG3 GLU 37 lone 3 68 - 4 - 773/1.8=1 Peak 781 from cnoeabs.peaks (4.02, 2.38, 36.00 ppm; 3.33 A): 2 out of 14 assignments used, quality = 0.95: * HA GLU 37 + HG3 GLU 37 OK 92 100 - 92 - 3.8=65, 753/1.8=26...(17) HA GLU 37 + HB ILE 91 OK 37 88 - 42 - 754=9, ~8998=7...(13) HA VAL 63 - HB ILE 91 OK 32 83 - 39 - 1791/2.1=7, 3.2/2957=5...(19) HA GLU 81 - HG3 GLU 37 OK 26 100 - 26 - 774/1.8=7, 754=7...(7) HA LYS 123 - HB ILE 91 OK 24 87 - 28 - 4098/3.2=6, 3.7/2960=4...(10) HB THR 107 - HB ILE 91 OK 21 85 - 25 - 2.1/9253=4, 3455/3.0=3...(9) HB THR 107 - HG3 GLU 37 OK 11 99 - 11 - 2.1/9253=3, 774/1.8=2 HA VAL 63 - HG3 GLU 37 OK 11 98 - 11 - 774/1.8=2, 3.2/8360=2...(4) HA LYS 123 - HG3 GLU 37 lone 7 100 - 7 - 774/1.8=1, 6226/4.4=1 HB3 SER 100 - HB ILE 91 lone 4 73 - 5 - 10473/3.0=3 HA GLU 81 - HB ILE 91 lone 3 88 - 4 - HB3 SER 100 - HG3 GLU 37 lone 2 89 - 2 - HB2 SER 103 - HB ILE 91 lone 2 73 - 2 - HB2 SER 103 - HG3 GLU 37 lone 1 89 - 1 - Peak 782 from cnoeabs.peaks (2.01, 2.38, 36.00 ppm; 2.76 A): 2 out of 14 assignments used, quality = 0.99: * HB2 GLU 37 + HG3 GLU 37 OK 92 100 - 92 - 3.0=78, 775/1.8=15...(18) HB3 GLU 37 + HG3 GLU 37 OK 92 100 - 92 - 3.0=78, 776/1.8=15...(18) HB2 GLU 37 - HB ILE 91 OK 21 88 - 24 - 3.0/784=3, 3.0/754=3...(10) HB3 GLU 37 - HB ILE 91 OK 21 86 - 24 - 3.0/784=3, 3.0/754=3...(10) HB3 GLU 90 - HB ILE 91 OK 18 76 - 24 - 2930/4.0=5, ~10077=5...(8) HB3 GLU 90 - HG3 GLU 37 OK 16 92 - 17 - 776/1.8=2, 2926/3.0=2...(7) QE MET 11 - HG3 GLU 37 OK 15 81 - 19 - 46=3, 4.2/22=2...(7) QE MET 11 - HB ILE 91 OK 13 65 - 19 - 10600/3.0=6, 10599/3.0=5...(5) HB2 GLU 90 - HG3 GLU 37 OK 11 68 - 16 - 3.9/10084=2, 4.7/7055=1...(8) HB2 GLU 90 - HB ILE 91 poor 10 53 - 18 - 7050/4.0=5, 3.9/10084=4...(7) HG3 PRO 52 - HB ILE 91 lone 6 61 - 10 - ~8986=2, ~8986=2, 2.3/10455=1 HG3 GLU 122 - HG3 GLU 37 lone 5 89 - 6 - HG3 GLU 122 - HB ILE 91 lone 3 73 - 4 - HG3 PRO 52 - HG3 GLU 37 lone 2 77 - 3 - Peak 783 from cnoeabs.peaks (2.01, 2.38, 36.00 ppm; 2.76 A): 2 out of 14 assignments used, quality = 0.99: * HB3 GLU 37 + HG3 GLU 37 OK 92 100 - 92 - 3.0=78, 776/1.8=15...(18) HB2 GLU 37 + HG3 GLU 37 OK 92 100 - 92 - 3.0=78, 776/1.8=15...(18) HB3 GLU 37 - HB ILE 91 OK 21 88 - 24 - 3.0/784=3, 3.0/754=3...(10) HB2 GLU 37 - HB ILE 91 OK 21 86 - 24 - 3.0/784=3, 3.0/754=3...(10) HB3 GLU 90 - HB ILE 91 OK 20 83 - 24 - 2930/4.0=6, ~10077=5...(8) QE MET 11 - HG3 GLU 37 OK 18 92 - 20 - 46=4, 4.2/22=2...(7) HB3 GLU 90 - HG3 GLU 37 OK 17 98 - 17 - 776/1.8=2, 2926/3.0=2...(7) QE MET 11 - HB ILE 91 OK 17 76 - 22 - 10600/3.0=8, 10599/3.0=6...(5) HG3 PRO 52 - HB ILE 91 lone 7 73 - 10 - ~8986=2, ~8986=2, 2.3/10455=1 HG3 GLU 122 - HG3 GLU 37 lone 6 96 - 6 - HG3 GLU 122 - HB ILE 91 lone 3 81 - 4 - HG3 PRO 52 - HG3 GLU 37 lone 3 89 - 3 - HB2 GLN 111 - HB ILE 91 lone 2 57 - 4 - HB2 GLN 111 - HG3 GLU 37 lone 2 72 - 2 - Peak 784 from cnoeabs.peaks (2.23, 2.38, 36.00 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 1.8=100 HG2 GLU 37 - HB ILE 91 OK 18 88 - 20 - 778=7, 4.4/6230=2...(7) HG2 GLU 28 - HG3 GLU 37 lone 4 72 - 5 - 6229/4.4=1 HG2 GLU 28 - HB ILE 91 lone 4 57 - 7 - 11382/3.0=3, ~8054=1 Peak 785 from cnoeabs.peaks (2.38, 2.38, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 HB ILE 91 + HB ILE 91 OK 85 85 - 100 Peak 786 from cnoeabs.peaks (7.87, 2.38, 36.00 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.90: * H PHE 38 + HG3 GLU 37 OK 84 100 - 84 - 779/1.8=41, 6231/4.4=28...(7) H PHE 38 + HB ILE 91 OK 39 88 - 45 - 6242=11, 3.6/6230=9...(15) Peak 787 from cnoeabs.peaks (7.87, 4.17, 60.77 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 38 + HA PHE 38 OK 100 100 - 100 - 2.9=100 H PHE 38 - HA TRP 88 OK 22 71 - 31 - 6243=7, 3.2/790=4...(12) Peak 788 from cnoeabs.peaks (4.17, 4.17, 60.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PHE 38 + HA PHE 38 OK 100 100 - 100 HA TRP 88 + HA TRP 88 OK 71 71 - 100 Peak 789 from cnoeabs.peaks (2.73, 4.17, 60.77 ppm; 3.72 A): 1 out of 12 assignments used, quality = 1.00: * HB2 PHE 38 + HA PHE 38 OK 100 100 - 100 - 3.0=100 HB3 TYR 70 - HA PHE 38 OK 45 100 - 45 - 11543/3.1=12...(13) HB3 GLU 120 - HA PHE 38 OK 41 100 - 41 - 810/3.0=5, 6244/2.9=5...(22) HB2 PHE 38 - HA TRP 88 OK 23 71 - 32 - 1.8/790=6, 3.2/787=5...(10) HB3 MET 46 - HA PHE 38 OK 14 92 - 16 - 6244/2.9=2, 6258/3.6=2...(7) HB2 ASN 84 - HA PHE 38 OK 11 72 - 15 - 1.8/797=6, 2439/4.9=2...(5) HB3 GLU 120 - HA TRP 88 poor 9 69 - 13 - 3.6/7483=2, 4.6/7494=1 HB3 MET 46 - HA TRP 88 lone 6 60 - 10 - 4.2/10486=3, 3.0/2828=2 HB3 TYR 70 - HA TRP 88 lone 6 71 - 8 - 2070/4.6=2, 11542/7.8=1 HB2 ASN 96 - HA PHE 38 lone 2 89 - 3 - HB2 ASN 84 - HA TRP 88 lone 1 44 - 2 - HB2 ASN 96 - HA TRP 88 lone 1 57 - 2 - Peak 790 from cnoeabs.peaks (3.32, 4.17, 60.77 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 38 + HA PHE 38 OK 100 100 - 100 - 3.0=100 HB3 PHE 38 - HA TRP 88 OK 18 71 - 25 - 3.2/787=5, 809=4...(9) Peak 791 from cnoeabs.peaks (6.97, 4.17, 60.77 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.99: * QD PHE 38 + HA PHE 38 OK 99 99 - 100 - 3.1=100 HD2 HIS 10 - HA PHE 38 OK 21 81 - 25 - 6246/2.9=8, 812/3.0=5...(6) QD PHE 38 - HA TRP 88 OK 18 68 - 27 - 2.6/790=5, 4.3/787=4...(9) HD2 HIS 10 - HA TRP 88 lone 2 51 - 4 - Peak 792 from cnoeabs.peaks (6.28, 4.17, 60.77 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.98: * QE PHE 38 + HA PHE 38 OK 98 98 - 100 - 4.7=100 QE PHE 38 - HA TRP 88 OK 17 66 - 26 - 2.2/791=6, 4.5/790=5...(7) Peak 794 from cnoeabs.peaks (8.27, 4.17, 60.77 ppm; 4.21 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 39 + HA PHE 38 OK 100 100 - 100 - 3.6=100 H LEU 39 - HA TRP 88 OK 21 71 - 29 - 6257=8, 4.3/787=5...(10) H GLN 25 - HA PHE 38 OK 15 100 - 15 - 6249/2.9=4, 816/4.9=3...(4) H GLY 143 - HA PHE 38 OK 11 100 - 11 - 6249/2.9=3, 816/4.9=3...(4) H ASP 32 - HA PHE 38 OK 10 85 - 12 - 6249/2.9=3, 806/3.0=3...(4) H ASP 32 - HA TRP 88 lone 3 54 - 6 - 10824/3.0=1, 10814/5.1=1 H GLN 25 - HA TRP 88 lone 3 69 - 5 - 4.9/2828=1 H GLY 143 - HA TRP 88 lone 2 70 - 2 - Peak 795 from cnoeabs.peaks (7.38, 4.17, 60.77 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.65: * H ASP 41 + HA PHE 38 OK 60 100 - 61 - 3.8/797=19, 6290=15...(10) H ASP 41 + HA TRP 88 OK 12 71 - 16 - 6290=4, 3.8/797=3...(6) H LYS 114 - HA PHE 38 lone 7 96 - 7 - 904/797=1, 6286/6275=1 H LYS 114 - HA TRP 88 lone 6 64 - 9 - 4.9/8929=2, 3.9/10067=2...(4) H ARG 49 - HA TRP 88 lone 5 60 - 8 - 6.4/2820=2, ~1245=1, 4.9/10067=1 H ARG 49 - HA PHE 38 lone 2 92 - 3 - Peak 796 from cnoeabs.peaks (2.77, 4.17, 60.77 ppm; 3.76 A): 2 out of 14 assignments used, quality = 0.59: * HB2 ASP 41 + HA PHE 38 OK 52 100 - 53 - 1.8/797=23, 3.8/795=13...(9) HB3 ASN 84 + HA PHE 38 OK 13 89 - 15 - 797=4, 2440/4.9=2, 1.8/789=2 HB2 ASP 41 - HA TRP 88 poor 9 71 - 13 - 1.8/797=4, 3.8/795=3...(5) HB3 TYR 119 - HA PHE 38 lone 8 85 - 9 - 4.4/7483=2, 3.9/9424=2 HE3 LYS 76 - HA PHE 38 lone 7 85 - 8 - HE2 LYS 114 - HA PHE 38 lone 7 72 - 9 - 897=2, 6298/795=2 HE2 LYS 76 - HA PHE 38 lone 5 68 - 8 - HB3 TYR 119 - HA TRP 88 lone 5 54 - 9 - 3.9/9424=2, 4.4/7483=2 HE3 LYS 76 - HA TRP 88 lone 3 54 - 6 - 8900/8904=1, 8973/8976=1 HE2 LYS 114 - HA TRP 88 lone 3 44 - 7 - 3.7/8929=2, 8973/8976=1 HG3 GLN 111 - HA PHE 38 lone 2 92 - 3 - HE2 LYS 76 - HA TRP 88 lone 2 40 - 6 - 8900/8904=1 HB3 ASN 84 - HA TRP 88 lone 2 57 - 3 - HG3 GLN 111 - HA TRP 88 lone 2 60 - 3 - 8372/1841=2 Peak 797 from cnoeabs.peaks (2.80, 4.17, 60.77 ppm; 4.05 A): 1 out of 6 assignments used, quality = 0.54: * HB3 ASP 41 + HA PHE 38 OK 54 100 - 54 - 1.8/796=18, 3.8/795=16...(9) HB3 ASP 41 - HA TRP 88 poor 10 71 - 13 - 1.8/796=3, 3.8/795=3...(5) HB3 ASN 139 - HA PHE 38 lone 6 98 - 6 - 6299/795=2 HB2 ASN 128 - HA PHE 38 lone 3 100 - 3 - HB3 ASN 139 - HA TRP 88 lone 2 66 - 4 - HB2 ASN 128 - HA TRP 88 lone 2 70 - 2 - Peak 798 from cnoeabs.peaks (2.06, 2.73, 39.31 ppm; 6.80 A): 1 out of 7 assignments used, quality = 0.97: * HA ARG 35 + HB2 PHE 38 OK 97 100 - 97 - 592/1.8=47, 11164/3.2=45...(13) HD2 ARG 49 - HB2 PHE 38 OK 41 72 - 57 - ~9829=25, 798=11...(10) HG3 PRO 98 - HB2 PHE 38 OK 25 100 - 25 - 807/1.8=4, 798=4...(8) HB2 PRO 52 - HB2 PHE 38 OK 21 100 - 21 - 6234/3.2=5, 807/1.8=4...(7) HG2 PRO 98 - HB2 PHE 38 OK 18 77 - 23 - 1.8/798=4, ~807=4...(7) HB2 LEU 26 - HB2 PHE 38 OK 16 62 - 26 - 798=5, 807/1.8=4...(7) HB3 GLN 62 - HB2 PHE 38 lone 7 81 - 9 - 807/1.8=2, 9781/4.5=1 Peak 799 from cnoeabs.peaks (7.87, 2.73, 39.31 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 38 + HB2 PHE 38 OK 100 100 - 100 - 3.2=100 Peak 800 from cnoeabs.peaks (4.17, 2.73, 39.31 ppm; 4.55 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 38 + HB2 PHE 38 OK 100 100 - 100 - 3.0=100 HA GLU 120 + HB2 PHE 38 OK 56 96 - 58 - 809/1.8=8, 800=8...(22) HA TRP 88 - HB2 PHE 38 OK 44 100 - 44 - 7.8/8108=8, 790/1.8=7...(14) HB2 SER 44 - HB2 PHE 38 OK 29 89 - 33 - 809/1.8=5, 800=4...(13) HB3 SER 44 - HB2 PHE 38 OK 29 89 - 33 - 809/1.8=5, 800=4...(13) HA LEU 64 - HB2 PHE 38 OK 25 100 - 25 - 809/1.8=3, 800=3...(13) HG1 THR 74 - HB2 PHE 38 lone 8 100 - 8 - 5556/2.6=1, 8507/8504=1 HA3 GLY 125 - HB2 PHE 38 lone 2 62 - 2 - Peak 801 from cnoeabs.peaks (2.73, 2.73, 39.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 38 + HB2 PHE 38 OK 100 100 - 100 Peak 802 from cnoeabs.peaks (3.32, 2.73, 39.31 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 38 + HB2 PHE 38 OK 100 100 - 100 - 1.8=100 Peak 803 from cnoeabs.peaks (6.97, 2.73, 39.31 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 38 + HB2 PHE 38 OK 99 99 - 100 - 2.6=100 HD2 HIS 10 - HB2 PHE 38 OK 23 81 - 29 - 6246/3.2=9, 812/1.8=7...(6) Peak 804 from cnoeabs.peaks (6.28, 2.73, 39.31 ppm; 6.74 A): 1 out of 1 assignment used, quality = 0.98: * QE PHE 38 + HB2 PHE 38 OK 98 98 - 100 - 4.5=100 Peak 806 from cnoeabs.peaks (8.27, 2.73, 39.31 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 39 + HB2 PHE 38 OK 100 100 - 100 - 4.4=100 H GLN 25 - HB2 PHE 38 OK 16 100 - 16 - 6249/3.2=5, 815/1.8=4...(4) H ASP 32 - HB2 PHE 38 OK 16 85 - 19 - 815/1.8=4, 10815/9810=4...(7) H GLY 143 - HB2 PHE 38 OK 12 100 - 12 - 6249/3.2=3, 815/1.8=3, 794/3.0=3 Peak 807 from cnoeabs.peaks (2.06, 3.32, 39.31 ppm; 6.80 A): 1 out of 7 assignments used, quality = 0.97: * HA ARG 35 + HB3 PHE 38 OK 97 100 - 97 - 592=50, 11164/3.2=45...(11) HD2 ARG 49 - HB3 PHE 38 OK 41 72 - 56 - ~9829=25, 807=11...(10) HG3 PRO 98 - HB3 PHE 38 OK 23 100 - 23 - 798/1.8=5, 807=3...(8) HB2 PRO 52 - HB3 PHE 38 OK 21 100 - 20 - 6234/3.2=5, 798/1.8=4...(7) HG2 PRO 98 - HB3 PHE 38 OK 17 77 - 22 - 1.8/807=4, ~798=4...(7) HB2 LEU 26 - HB3 PHE 38 OK 16 62 - 25 - 807=5, 798/1.8=5...(7) HB3 GLN 62 - HB3 PHE 38 poor 9 81 - 11 - 8343/10936=2, 798/1.8=1...(4) Peak 808 from cnoeabs.peaks (7.87, 3.32, 39.31 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 3.2=100 Peak 809 from cnoeabs.peaks (4.17, 3.32, 39.31 ppm; 4.20 A): 1 out of 8 assignments used, quality = 1.00: * HA PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 3.0=100 HA GLU 120 - HB3 PHE 38 OK 45 96 - 47 - 809=8, 800/1.8=6...(18) HA TRP 88 - HB3 PHE 38 OK 35 100 - 35 - 790=8, 787/3.2=6...(12) HB3 SER 44 - HB3 PHE 38 OK 26 89 - 30 - 809=5, 1.8/809=4...(13) HB2 SER 44 - HB3 PHE 38 OK 26 89 - 30 - 809=5, 1.8/809=4...(13) HA LEU 64 - HB3 PHE 38 OK 21 100 - 21 - 809=3, 800/1.8=3...(10) HG1 THR 74 - HB3 PHE 38 lone 5 100 - 5 - HA3 GLY 125 - HB3 PHE 38 lone 1 62 - 2 - Peak 810 from cnoeabs.peaks (2.73, 3.32, 39.31 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 1.8=100 HB3 TYR 70 + HB3 PHE 38 OK 45 100 - 45 - 11543/2.6=15...(9) HB3 GLU 120 - HB3 PHE 38 OK 43 100 - 43 - 6244/3.2=5, 3.0/809=5...(20) HB3 MET 46 - HB3 PHE 38 OK 15 92 - 16 - 6244/3.2=2, 6258/4.4=2...(10) HB2 ASN 84 - HB3 PHE 38 poor 10 72 - 13 - ~797=3, ~796=2...(6) HB2 ASN 96 - HB3 PHE 38 lone 3 89 - 3 - Peak 811 from cnoeabs.peaks (3.32, 3.32, 39.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 38 + HB3 PHE 38 OK 100 100 - 100 Peak 812 from cnoeabs.peaks (6.97, 3.32, 39.31 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 38 + HB3 PHE 38 OK 99 99 - 100 - 2.6=100 HD2 HIS 10 - HB3 PHE 38 OK 23 81 - 28 - 6246/3.2=8, 803/1.8=7...(6) Peak 813 from cnoeabs.peaks (6.28, 3.32, 39.31 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.98: * QE PHE 38 + HB3 PHE 38 OK 98 98 - 100 - 4.5=100 Peak 815 from cnoeabs.peaks (8.27, 3.32, 39.31 ppm; 5.15 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 39 + HB3 PHE 38 OK 100 100 - 100 - 4.4=100 H GLN 25 - HB3 PHE 38 OK 17 100 - 17 - 6249/3.2=5, 806/1.8=5...(5) H ASP 32 - HB3 PHE 38 OK 16 85 - 19 - 806/1.8=5, 6249/3.2=4...(6) H GLY 143 - HB3 PHE 38 OK 12 100 - 12 - 806/1.8=4, 6249/3.2=3...(4) Peak 816 from cnoeabs.peaks (8.27, 3.14, 57.29 ppm; 5.26 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 39 + HA LEU 39 OK 100 100 - 100 - 2.9=100 H GLN 25 - HA LEU 39 OK 39 100 - 39 - 853/3.8=9, 837/3.0=7...(8) H GLY 143 - HA LEU 39 OK 30 100 - 30 - 837/3.0=6, 10752/3.0=5...(9) H ASP 32 - HA LEU 39 OK 21 85 - 24 - 10752/3.0=4, 861/3.9=4...(7) Peak 817 from cnoeabs.peaks (3.14, 3.14, 57.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 39 + HA LEU 39 OK 100 100 - 100 Peak 818 from cnoeabs.peaks (0.98, 3.14, 57.29 ppm; 5.29 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.0=100 QD1 LEU 116 + HA LEU 39 OK 77 89 - 86 - 2.1/9376=16, 9373=15...(32) HG12 ILE 136 + HA LEU 39 OK 62 85 - 72 - 2.3/11724=11, 839/3.0=10...(19) Peak 819 from cnoeabs.peaks (1.38, 3.14, 57.29 ppm; 6.80 A): 6 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.0=100 HB2 LEU 69 + HA LEU 39 OK 69 94 - 73 - 4.0/10754=13, 4.6/6711=9...(22) HG LEU 132 + HA LEU 39 OK 69 100 - 69 - 819=9, 831/3.0=9...(19) HB VAL 82 + HA LEU 39 OK 63 98 - 64 - 2.1/9987=14, 4.5/6901=8...(18) HG2 ARG 49 + HA LEU 39 OK 61 85 - 71 - ~10661=8, 831/3.0=7...(22) HB2 ARG 109 + HA LEU 39 OK 57 99 - 58 - 9273/3.9=11, 856/3.8=7...(18) HG2 LYS 86 - HA LEU 39 OK 16 68 - 23 - 819=2, 831/3.0=2...(10) Peak 821 from cnoeabs.peaks (0.02, 3.14, 57.29 ppm; 6.12 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.8=100 Peak 822 from cnoeabs.peaks (0.67, 3.14, 57.29 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.99: * QD2 LEU 39 + HA LEU 39 OK 97 100 - 97 - 3.9=94, 861/2.9=18...(8) QD2 LEU 66 + HA LEU 39 OK 60 100 - 60 - 10792/3.8=9, ~10990=9...(16) HB3 LEU 116 - HA LEU 39 OK 42 81 - 52 - 3.2/9376=9, 3.1/9373=8...(15) QD1 ILE 83 - HA LEU 39 OK 41 94 - 43 - 843/3.0=5, 834/3.0=5...(15) Peak 825 from cnoeabs.peaks (-0.23, 3.14, 57.29 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.76: * HB2 LEU 42 + HA LEU 39 OK 76 100 - 76 - 3.1/11436=37...(10) Peak 829 from cnoeabs.peaks (3.14, 0.98, 40.66 ppm; 6.49 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.0=100 HB2 TYR 70 + HB2 LEU 39 OK 85 96 - 88 - ~10940=17, ~8119=15...(19) HA VAL 80 + HB2 LEU 39 OK 74 94 - 79 - 854/3.2=11, 862/3.2=11...(24) HB2 TRP 17 - HB2 LEU 39 OK 14 77 - 17 - 7.3/10751=3, 862/3.2=2...(7) Peak 830 from cnoeabs.peaks (0.98, 0.98, 40.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 39 + HB2 LEU 39 OK 100 100 - 100 Peak 831 from cnoeabs.peaks (1.38, 0.98, 40.66 ppm; 4.32 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 1.8=100 HG LEU 132 + HB2 LEU 39 OK 49 100 - 49 - 864/3.2=5, ~10423=5...(19) HG2 ARG 49 + HB2 LEU 39 OK 48 85 - 56 - ~10975=5, 856/3.2=4...(28) HB VAL 82 - HB2 LEU 39 OK 43 98 - 44 - ~9987=6, ~2487=4...(18) HB2 ARG 109 - HB2 LEU 39 OK 41 99 - 42 - 9273/3.2=5, ~9272=5...(17) HB2 LEU 69 - HB2 LEU 39 OK 37 94 - 39 - 6279/4.3=4, 864/3.2=4...(19) HG2 LYS 86 - HB2 LEU 39 poor 10 68 - 14 - 864/3.2=1, ~8113=1 Peak 832 from cnoeabs.peaks (1.77, 0.98, 40.66 ppm; 5.63 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.0=100 HB3 ARG 35 + HB2 LEU 39 OK 91 98 - 93 - ~8100=22, ~8100=21...(26) HG LEU 72 - HB2 LEU 39 OK 45 77 - 58 - ~10227=15, 6280/4.3=10...(16) HB3 ARG 55 - HB2 LEU 39 OK 32 100 - 32 - 857/3.2=4, ~1402=4...(14) HB3 MET 59 - HB2 LEU 39 OK 24 98 - 25 - ~1604=3, ~1604=3...(11) HG2 PRO 57 - HB2 LEU 39 OK 17 81 - 21 - 6280/4.3=3...(8) HG LEU 95 - HB2 LEU 39 OK 13 68 - 18 - ~9073=2, 865/3.2=1...(6) HB2 PRO 12 - HB2 LEU 39 OK 12 72 - 16 - 865/3.2=1, 857/3.2=1, 841/1.8=1 Peak 833 from cnoeabs.peaks (0.02, 0.98, 40.66 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.2=100 Peak 834 from cnoeabs.peaks (0.67, 0.98, 40.66 ppm; 4.23 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + HB2 LEU 39 OK 86 100 - 87 - 2.1/10990=18...(31) HB3 LEU 116 + HB2 LEU 39 OK 64 81 - 79 - 1.8/3867=10, 3875=8...(32) QD1 ILE 83 + HB2 LEU 39 OK 62 94 - 66 - 843/1.8=8, 851/3.0=7...(29) Peak 837 from cnoeabs.peaks (8.27, 1.38, 40.66 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.3=100 H GLN 25 - HB3 LEU 39 OK 35 100 - 35 - 853/3.2=8, 10752/1.8=7...(8) H GLY 143 - HB3 LEU 39 OK 27 100 - 27 - 10752/1.8=6, 816/3.0=5...(8) H ASP 32 - HB3 LEU 39 OK 20 85 - 23 - 10752/1.8=4, 861/3.2=4...(7) Peak 838 from cnoeabs.peaks (3.14, 1.38, 40.66 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.0=100 HB2 TYR 70 + HB3 LEU 39 OK 87 96 - 90 - ~10940=19, 8484/1.8=17...(19) HA VAL 80 + HB3 LEU 39 OK 77 94 - 82 - 829/1.8=12, ~11063=12...(30) HB2 TRP 17 - HB3 LEU 39 OK 13 77 - 17 - 854/3.2=2, 829/1.8=2...(8) Peak 839 from cnoeabs.peaks (0.98, 1.38, 40.66 ppm; 3.90 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 1.8=100 QD1 LEU 116 + HB3 LEU 39 OK 64 89 - 72 - 863/3.2=9, 855/3.2=8...(30) HG12 ILE 136 + HB3 LEU 39 OK 49 85 - 58 - 2.1/9688=9, 2.3/10338=8...(16) Peak 840 from cnoeabs.peaks (1.38, 1.38, 40.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 39 + HB3 LEU 39 OK 100 100 - 100 Peak 841 from cnoeabs.peaks (1.77, 1.38, 40.66 ppm; 6.70 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.0=100 HB3 ARG 35 + HB3 LEU 39 OK 95 98 - 97 - ~8100=30, ~8100=29...(27) HG LEU 72 + HB3 LEU 39 OK 58 77 - 75 - ~10227=21, 3.7/11495=15...(18) HB3 ARG 55 - HB3 LEU 39 OK 40 100 - 40 - ~1402=5, 832/1.8=5...(15) HB3 MET 59 - HB3 LEU 39 OK 32 98 - 32 - 832/1.8=4, ~1604=3...(14) HG2 PRO 57 - HB3 LEU 39 OK 19 81 - 23 - 6280/4.3=4, ~9823=3...(8) HG LEU 95 - HB3 LEU 39 OK 17 68 - 24 - 2.1/9073=2, 832/1.8=2...(9) HB2 PRO 12 - HB3 LEU 39 OK 15 72 - 20 - 832/1.8=2, 865/3.2=1, 857/3.2=1 Peak 842 from cnoeabs.peaks (0.02, 1.38, 40.66 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.2=100 Peak 843 from cnoeabs.peaks (0.67, 1.38, 40.66 ppm; 4.30 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + HB3 LEU 39 OK 86 100 - 86 - ~10990=16, 10792/3.2=13...(33) QD1 ILE 83 + HB3 LEU 39 OK 68 94 - 72 - 3.1/10660=10, 834/1.8=8...(32) HB3 LEU 116 + HB3 LEU 39 OK 62 81 - 76 - 3.1/839=10, 3875/1.8=9...(28) Peak 844 from cnoeabs.peaks (8.57, 1.38, 40.66 ppm; 5.91 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 40 + HB3 LEU 39 OK 100 100 - 100 - 4.3=100 H LEU 72 + HB3 LEU 39 OK 78 98 - 80 - 852/3.0=19, 860/3.2=16...(22) H LYS 85 - HB3 LEU 39 OK 26 77 - 34 - 3.6/8854=9, ~6918=6...(9) Peak 845 from cnoeabs.peaks (8.27, 1.77, 26.52 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 39 + HG LEU 39 OK 100 100 - 100 - 4.7=100 H GLN 25 - HG LEU 39 OK 36 100 - 36 - 853/2.1=10, 861/2.1=7...(8) H GLY 143 - HG LEU 39 OK 25 100 - 24 - 861/2.1=5, 853/2.1=5...(5) H ASP 32 - HG LEU 39 OK 20 85 - 24 - 861/2.1=5, 853/2.1=5...(7) Peak 846 from cnoeabs.peaks (3.14, 1.77, 26.52 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 39 + HG LEU 39 OK 100 100 - 100 - 3.7=100 HB2 TYR 70 + HG LEU 39 OK 77 96 - 80 - ~10940=21, ~8119=18...(13) HA VAL 80 + HG LEU 39 OK 69 94 - 73 - ~11064=14, 854/2.1=13...(19) HB2 TRP 17 - HG LEU 39 OK 11 77 - 14 - 854/2.1=2, 862/2.1=2...(5) Peak 847 from cnoeabs.peaks (0.98, 1.77, 26.52 ppm; 4.33 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + HG LEU 39 OK 100 100 - 100 - 3.0=100 QD1 LEU 116 + HG LEU 39 OK 65 89 - 73 - 863/2.1=13, 855/2.1=12...(24) HG12 ILE 136 + HG LEU 39 OK 53 85 - 62 - 2.1/11135=9, 855/2.1=9...(18) Peak 848 from cnoeabs.peaks (1.38, 1.77, 26.52 ppm; 6.03 A): 6 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + HG LEU 39 OK 100 100 - 100 - 3.0=100 HG LEU 132 + HG LEU 39 OK 65 100 - 65 - 2.1/10423=14, 856/2.1=8...(17) HB2 ARG 109 + HG LEU 39 OK 61 99 - 61 - ~9272=12, 9273/2.1=11...(19) HG2 ARG 49 + HG LEU 39 OK 60 85 - 71 - 3.0/10975=14, 856/2.1=7...(23) HB VAL 82 + HG LEU 39 OK 51 98 - 52 - ~8118=7, 831/3.0=6...(15) HB2 LEU 69 + HG LEU 39 OK 47 94 - 50 - 831/3.0=6, 856/2.1=6...(16) HG2 LYS 86 - HG LEU 39 OK 16 68 - 23 - ~8113=3, ~8113=2...(6) Peak 849 from cnoeabs.peaks (1.77, 1.77, 26.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 39 + HG LEU 39 OK 100 100 - 100 Peak 850 from cnoeabs.peaks (0.02, 1.77, 26.52 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HG LEU 39 OK 100 100 - 100 - 2.1=100 Peak 851 from cnoeabs.peaks (0.67, 1.77, 26.52 ppm; 3.79 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 39 + HG LEU 39 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + HG LEU 39 OK 76 100 - 76 - 859/2.1=11, ~10990=9...(27) QD1 ILE 83 + HG LEU 39 OK 58 94 - 61 - 859/2.1=7, 2540=7...(29) HB3 LEU 116 + HG LEU 39 OK 48 81 - 59 - ~8121=7, 3.1/847=7...(20) Peak 852 from cnoeabs.peaks (8.57, 1.77, 26.52 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.82: * H ASP 40 + HG LEU 39 OK 66 100 - 66 - 6280=22, 6281/2.1=20...(7) H LEU 72 + HG LEU 39 OK 48 98 - 49 - 2.9/8134=9, 860/2.1=8...(18) H LYS 85 - HG LEU 39 lone 8 77 - 10 - ~6928=3, 860/2.1=2...(4) Peak 853 from cnoeabs.peaks (8.27, 0.02, 26.33 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 4.3=100 H GLN 25 + QD1 LEU 39 OK 50 100 - 50 - 4.7/10869=21, 845/2.1=7...(12) H GLY 143 - QD1 LEU 39 OK 26 100 - 26 - 861/2.1=5, 845/2.1=5...(7) H ASP 32 - QD1 LEU 39 OK 23 85 - 27 - 861/2.1=5, 845/2.1=4...(10) Peak 854 from cnoeabs.peaks (3.14, 0.02, 26.33 ppm; 5.45 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 3.8=100 HB2 TYR 70 + QD1 LEU 39 OK 69 96 - 72 - ~10940=16, ~8119=14...(14) HA VAL 80 + QD1 LEU 39 OK 64 94 - 68 - 3.6/8133=15...(18) HB2 TRP 17 - QD1 LEU 39 OK 12 77 - 16 - 4.2/8127=8, 862/2.1=2...(6) Peak 855 from cnoeabs.peaks (0.98, 0.02, 26.33 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 3.2=100 QD1 LEU 116 + QD1 LEU 39 OK 59 89 - 66 - 863/2.1=11, 847/2.1=9...(23) HG12 ILE 136 - QD1 LEU 39 OK 44 85 - 51 - 863/2.1=8, 847/2.1=7...(16) Peak 856 from cnoeabs.peaks (1.38, 0.02, 26.33 ppm; 4.19 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 3.2=100 HG2 ARG 49 - QD1 LEU 39 OK 41 85 - 48 - 8195/8104=7, 864/2.1=5...(23) HG LEU 132 - QD1 LEU 39 OK 41 100 - 41 - 864/2.1=6, ~10423=6...(17) HB2 ARG 109 - QD1 LEU 39 OK 39 99 - 39 - ~9272=6, 9273/2.1=5...(18) HB VAL 82 - QD1 LEU 39 OK 32 98 - 33 - 864/2.1=5, 3.0/10758=4...(14) HB2 LEU 69 - QD1 LEU 39 OK 27 94 - 28 - 864/2.1=4, 831/3.2=3...(16) HG2 LYS 86 - QD1 LEU 39 poor 8 68 - 11 - 3.0/8113=2, 864/2.1=1 Peak 857 from cnoeabs.peaks (1.77, 0.02, 26.33 ppm; 4.01 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 2.1=100 HB3 ARG 35 + QD1 LEU 39 OK 77 98 - 79 - 3.0/8100=15...(22) HG LEU 72 - QD1 LEU 39 OK 31 77 - 40 - 3.7/9790=8, 3.0/8112=6...(16) HB3 ARG 55 - QD1 LEU 39 OK 24 100 - 24 - 865/2.1=3, ~1402=2...(11) HB3 MET 59 - QD1 LEU 39 OK 15 98 - 15 - 865/2.1=2, ~1604=2...(6) HG2 PRO 57 - QD1 LEU 39 poor 9 81 - 11 - ~9823=1, 10423/11159=1 HB2 PRO 12 - QD1 LEU 39 poor 8 72 - 10 - 865/2.1=1 HG LEU 95 - QD1 LEU 39 poor 7 68 - 11 - 3.0/8113=1, 865/2.1=1 Peak 858 from cnoeabs.peaks (0.02, 0.02, 26.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + QD1 LEU 39 OK 100 100 - 100 Peak 859 from cnoeabs.peaks (0.67, 0.02, 26.33 ppm; 3.44 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + QD1 LEU 39 OK 76 100 - 76 - 859=13, 851/2.1=8...(35) QD1 ILE 83 + QD1 LEU 39 OK 48 94 - 51 - 851/2.1=6, 843/3.2=4...(26) HB3 LEU 116 - QD1 LEU 39 OK 44 81 - 54 - 1.8/8111=8, 3.1/855=7...(20) Peak 860 from cnoeabs.peaks (8.57, 0.02, 26.33 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.98: * H ASP 40 + QD1 LEU 39 OK 92 100 - 92 - 6281=50, 4.1/6267=39...(13) H LEU 72 + QD1 LEU 39 OK 74 98 - 76 - 852/2.1=19, 2.9/9790=15...(20) H LYS 85 - QD1 LEU 39 OK 16 77 - 21 - ~6928=6, 844/3.2=4...(5) Peak 861 from cnoeabs.peaks (8.27, 0.67, 22.21 ppm; 3.86 A): 4 out of 4 assignments used, quality = 0.94: * H LEU 39 + QD2 LEU 39 OK 89 100 - 89 - 4.8=52, 6267/2.1=37...(11) H GLN 25 + QD2 LEU 39 OK 23 100 - 23 - 853/2.1=7, 845/2.1=5...(5) H GLY 143 + QD2 LEU 39 OK 16 100 - 16 - 853/2.1=3, 845/2.1=3...(5) H ASP 32 + QD2 LEU 39 OK 16 85 - 18 - 853/2.1=3, 845/2.1=3...(7) Peak 862 from cnoeabs.peaks (3.14, 0.67, 22.21 ppm; 3.54 A): 3 out of 4 assignments used, quality = 0.95: * HA LEU 39 + QD2 LEU 39 OK 87 100 - 87 - 3.9=74, 2.9/861=16...(7) HB2 TYR 70 + QD2 LEU 39 OK 38 96 - 39 - 2.6/10940=9, 1.8/8119=7...(11) HA VAL 80 + QD2 LEU 39 OK 38 94 - 40 - 8742=9, 3.2/9946=5...(12) HB2 TRP 17 - QD2 LEU 39 lone 8 77 - 10 - 6.4/8130=5, 8152/8122=1 Peak 863 from cnoeabs.peaks (0.98, 0.67, 22.21 ppm; 3.36 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 3.2=100 QD1 LEU 116 + QD2 LEU 39 OK 53 89 - 59 - 855/2.1=8, 3.1/8121=7...(23) HG12 ILE 136 - QD2 LEU 39 OK 35 85 - 41 - 855/2.1=6, 847/2.1=5...(15) Peak 864 from cnoeabs.peaks (1.38, 0.67, 22.21 ppm; 3.77 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 3.2=100 HG LEU 132 - QD2 LEU 39 OK 38 100 - 38 - 864=7, ~10423=5...(18) HB2 ARG 109 - QD2 LEU 39 OK 36 99 - 36 - 2.8/11496=7, 864=4...(14) HG2 ARG 49 - QD2 LEU 39 OK 33 85 - 38 - 856/2.1=4, ~10975=4...(22) HB VAL 82 - QD2 LEU 39 OK 30 98 - 31 - 3.0/8118=5, 4.5/6914=3...(12) HB2 LEU 69 - QD2 LEU 39 OK 25 94 - 27 - 864=5, 856/2.1=3...(11) HG2 LYS 86 - QD2 LEU 39 poor 7 68 - 11 - 864=1, ~8113=1 Peak 865 from cnoeabs.peaks (1.77, 0.67, 22.21 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 2.1=100 HB3 ARG 35 + QD2 LEU 39 OK 67 98 - 68 - 3.6/8132=9, ~8100=9...(21) HG LEU 72 - QD2 LEU 39 OK 20 77 - 26 - 857/2.1=3, ~8112=3...(16) HB3 ARG 55 - QD2 LEU 39 OK 17 100 - 17 - 857/2.1=2, 3.9/862=2...(9) HB3 MET 59 - QD2 LEU 39 OK 12 98 - 13 - 857/2.1=1, 865=1...(4) HB2 PRO 12 - QD2 LEU 39 lone 7 72 - 9 - HG LEU 95 - QD2 LEU 39 lone 6 68 - 9 - HG2 PRO 57 - QD2 LEU 39 lone 6 81 - 8 - Peak 866 from cnoeabs.peaks (0.02, 0.67, 22.21 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 2.1=100 Peak 867 from cnoeabs.peaks (0.67, 0.67, 22.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 39 + QD2 LEU 39 OK 100 100 - 100 Peak 869 from cnoeabs.peaks (8.57, 4.42, 57.18 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 40 + HA ASP 40 OK 100 100 - 100 - 2.9=100 H LEU 72 - HA ASP 40 OK 31 98 - 31 - 10449/3.0=6, 6293/3.6=4...(11) H LYS 85 - HA ASP 40 OK 21 77 - 27 - 3.1/6929=4, 6953=4...(11) Peak 870 from cnoeabs.peaks (4.42, 4.42, 57.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 40 + HA ASP 40 OK 100 100 - 100 Peak 871 from cnoeabs.peaks (2.83, 4.42, 57.18 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ASP 40 + HA ASP 40 OK 100 100 - 100 - 3.0=100 HB3 ASN 54 + HA ASP 40 OK 48 99 - 49 - 1.8/876=7, 6284/2.9=6...(24) HE3 LYS 114 - HA ASP 40 OK 41 94 - 43 - 6295/3.6=7, 886/3.0=7...(18) HB2 ASN 139 - HA ASP 40 OK 32 99 - 32 - 3.0/10357=6, 6295/3.6=5...(12) HB2 ASN 130 - HA ASP 40 lone 6 99 - 6 - Peak 872 from cnoeabs.peaks (2.75, 4.42, 57.18 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 40 + HA ASP 40 OK 100 100 - 100 - 3.0=100 HB3 PHE 43 - HA ASP 40 OK 43 92 - 47 - 1.8/875=17, 4.5/6340=12...(11) HB2 ASN 54 - HA ASP 40 OK 43 99 - 43 - 1.8/871=7, 10444/3.0=5...(20) HE2 LYS 114 - HA ASP 40 OK 41 98 - 42 - 1.8/871=7, 6296/3.6=6...(19) HB3 ASP 137 - HA ASP 40 OK 11 92 - 12 - 1.8/875=4, 6296/3.6=2...(6) HG3 MET 113 - HA ASP 40 OK 10 98 - 11 - 6296/3.6=2, 6285/2.9=1 HE2 LYS 76 - HA ASP 40 lone 9 99 - 9 - 6296/3.6=1, 6285/2.9=1 HE3 LYS 76 - HA ASP 40 lone 8 92 - 9 - 6296/3.6=1, 6285/2.9=1 HB2 ASN 96 - HA ASP 40 lone 1 57 - 1 - Peak 873 from cnoeabs.peaks (7.38, 4.42, 57.18 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 41 + HA ASP 40 OK 100 100 - 100 - 3.6=100 H LYS 114 - HA ASP 40 OK 26 96 - 27 - 6286/2.9=6, 889/4.9=4...(11) H ARG 49 - HA ASP 40 lone 7 92 - 7 - 6286/2.9=2 Peak 875 from cnoeabs.peaks (2.69, 4.42, 57.18 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.61: * HB2 PHE 43 + HA ASP 40 OK 56 100 - 56 - 4.5/6340=20, 5.8/8138=15...(12) HB2 ASP 137 + HA ASP 40 OK 12 89 - 14 - 6346/6340=3, 1.8/876=3...(5) HB2 ASP 32 - HA ASP 40 lone 4 94 - 4 - 3.0/10526=1 HB3 TYR 115 - HA ASP 40 lone 2 99 - 2 - HB3 ASP 16 - HA ASP 40 lone 2 81 - 2 - HB3 ASP 13 - HA ASP 40 lone 1 100 - 1 - Peak 876 from cnoeabs.peaks (2.74, 4.42, 57.18 ppm; 3.42 A): 2 out of 9 assignments used, quality = 0.96: HB3 ASP 40 + HA ASP 40 OK 92 92 - 100 - 3.0=100 * HB3 PHE 43 + HA ASP 40 OK 47 100 - 47 - 1.8/875=17, 4.5/6340=12...(11) HB2 ASN 54 - HA ASP 40 OK 42 99 - 43 - 1.8/871=7, 10444/3.0=5...(20) HE2 LYS 114 - HA ASP 40 OK 29 72 - 41 - 1.8/871=7, 6296/3.6=5...(18) HB3 ASP 137 - HA ASP 40 OK 13 100 - 13 - 1.8/875=4, 4659/4.9=2...(5) HG3 MET 113 - HA ASP 40 OK 10 100 - 10 - 6296/3.6=2, 6285/2.9=1 HE2 LYS 76 - HA ASP 40 lone 7 77 - 8 - 6296/3.6=1, 6285/2.9=1 HE3 LYS 76 - HA ASP 40 lone 5 57 - 8 - 6296/3.6=1, 6285/2.9=1 HB2 ASN 96 - HA ASP 40 lone 1 92 - 1 - Peak 877 from cnoeabs.peaks (4.02, 2.83, 39.41 ppm; 4.46 A): 5 out of 21 assignments used, quality = 0.87: * HA GLU 37 + HB2 ASP 40 OK 59 100 - 59 - 757=20, 758/1.8=18...(7) HA VAL 63 + HB2 ASP 40 OK 43 98 - 44 - 6273/3.3=9, 883/1.8=8...(11) HA GLU 81 + HB2 ASP 40 OK 24 100 - 24 - 6273/3.3=7, 757=7...(4) HA GLU 81 + HB2 ASN 139 OK 16 51 - 32 - 9744/3.5=10, 757=8...(7) HA GLU 37 + HB3 ASN 54 OK 11 70 - 15 - 758/1.8=4, 757=4...(5) HB THR 107 - HB2 ASN 139 poor 10 49 - 20 - ~9254=4, ~4695=3...(7) HA VAL 63 - HB2 ASN 139 poor 7 48 - 15 - 10125/3.0=7, 9744/3.5=3 HA GLU 37 - HB2 ASN 139 poor 7 51 - 13 - 9744/3.5=4, 757=4...(4) HA LYS 123 - HB2 ASP 40 lone 5 100 - 5 - 6273/3.3=1, 883/1.8=1 HB THR 107 - HB2 ASP 40 lone 5 99 - 5 - 883/1.8=1, 6273/3.3=1 HA VAL 63 - HB3 ASN 54 lone 4 66 - 6 - ~11659=2 HB3 SER 100 - HB2 ASP 40 lone 4 89 - 4 - HA GLU 81 - HB3 ASN 54 lone 3 70 - 5 - 757=1 HB3 SER 100 - HB2 ASN 139 lone 4 40 - 9 - 10125/3.0=3...(3) HB2 SER 103 - HB2 ASP 40 lone 3 89 - 3 - 6289/4.4=1 HB2 SER 103 - HB2 ASN 139 lone 2 40 - 4 - 3392/4.6=2 HA LYS 123 - HB2 ASN 139 lone 2 51 - 3 - 9744/3.5=1 HA LYS 123 - HB3 ASN 54 lone 1 69 - 1 - HB THR 107 - HB3 ASN 54 lone 1 67 - 1 - HB3 SER 100 - HB3 ASN 54 lone 1 56 - 1 - HB2 SER 103 - HB3 ASN 54 lone 1 56 - 1 - Peak 878 from cnoeabs.peaks (8.57, 2.83, 39.41 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: * H ASP 40 + HB2 ASP 40 OK 100 100 - 100 - 3.3=100 H ASP 40 + HB3 ASN 54 OK 47 70 - 67 - 6284=10, 2.9/871=8...(26) H LEU 72 - HB2 ASP 40 OK 34 98 - 35 - 10449/1.8=9, 869/3.0=7...(9) H LEU 72 - HB3 ASN 54 OK 28 66 - 42 - 10448=23, 10449/1.8=23 H ASP 40 - HB2 ASN 139 OK 22 51 - 42 - 2.9/871=7, ~10357=6...(13) H LYS 85 - HB2 ASP 40 OK 20 77 - 26 - 869/3.0=5, ~8862=4...(9) H LYS 85 - HB3 ASN 54 poor 5 47 - 11 - ~8862=3, 6967/3.5=3...(4) H LEU 72 - HB2 ASN 139 lone 4 48 - 9 - 6750/4.6=2, ~4702=2, ~4686=1 H LYS 85 - HB2 ASN 139 lone 3 33 - 9 - 6950/3.5=5, 3.6/879=1 Peak 879 from cnoeabs.peaks (4.42, 2.83, 39.41 ppm; 4.37 A): 2 out of 15 assignments used, quality = 1.00: * HA ASP 40 + HB2 ASP 40 OK 100 100 - 100 - 3.0=100 HA ASP 40 + HB3 ASN 54 OK 47 70 - 67 - 871=11, 876/1.8=10...(24) HA ASN 84 - HB2 ASP 40 OK 33 89 - 37 - 6283/3.3=7, 885/1.8=6...(12) HA ASP 40 - HB2 ASN 139 OK 25 51 - 48 - 10357/3.0=11, 871=9...(13) HA ILE 58 - HB2 ASP 40 OK 17 92 - 18 - 885/1.8=3, 6283/3.3=3...(9) HA ASN 84 - HB2 ASN 139 OK 11 40 - 27 - 10357/3.0=10, 8838/3.5=8...(5) HA PRO 57 - HB2 ASP 40 lone 5 62 - 8 - 885/1.8=1, ~1521=1...(5) HA ILE 58 - HB2 ASN 139 lone 4 42 - 9 - 10357/3.0=4, ~10362=1 HA ASN 84 - HB3 ASN 54 lone 4 56 - 6 - 8839/3.5=2 HA PRO 33 - HB2 ASP 40 lone 2 68 - 3 - HA ILE 58 - HB3 ASN 54 lone 1 59 - 2 - HA PRO 33 - HB2 ASN 139 lone 1 28 - 3 - HA PRO 57 - HB3 ASN 54 lone 1 37 - 2 - HA PRO 33 - HB3 ASN 54 lone 0 40 - 1 - HA PRO 57 - HB2 ASN 139 lone 0 26 - 1 - Peak 880 from cnoeabs.peaks (2.83, 2.83, 39.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASP 40 + HB2 ASP 40 OK 100 100 - 100 HB3 ASN 54 + HB3 ASN 54 OK 67 67 - 100 HB2 ASN 139 + HB2 ASN 139 OK 49 49 - 100 Peak 881 from cnoeabs.peaks (2.75, 2.83, 39.41 ppm; 2.50 A): 2 out of 27 assignments used, quality = 1.00: * HB3 ASP 40 + HB2 ASP 40 OK 100 100 - 100 - 1.8=100 HB2 ASN 54 + HB3 ASN 54 OK 67 67 - 100 - 1.8=100 HE2 LYS 114 - HB2 ASP 40 OK 34 98 - 35 - 3818=6, 3.0/3796=3...(19) HB2 ASN 54 - HB2 ASP 40 OK 27 99 - 28 - 10444=5, 876/3.0=2...(16) HB3 ASP 40 - HB3 ASN 54 OK 23 70 - 33 - 886=5, 11657/3.5=3...(17) HB3 PHE 43 - HB2 ASP 40 OK 15 92 - 17 - ~875=4, ~875=4...(7) HE2 LYS 114 - HB2 ASN 139 OK 12 48 - 24 - 3818=4, 3.0/3796=3...(11) HB3 ASP 40 - HB2 ASN 139 OK 11 51 - 21 - 886=4, ~4698=2, ~4698=2...(11) HE2 LYS 76 - HB2 ASP 40 lone 7 99 - 7 - HE3 LYS 76 - HB2 ASP 40 lone 6 92 - 7 - HG3 MET 113 - HB2 ASP 40 lone 6 98 - 6 - HB3 ASP 137 - HB2 ASP 40 lone 5 92 - 5 - HE2 LYS 114 - HB3 ASN 54 lone 3 66 - 5 - HG3 MET 113 - HB3 ASN 54 lone 3 66 - 4 - HB3 PHE 43 - HB3 ASN 54 lone 1 59 - 2 - HE2 LYS 76 - HB3 ASN 54 lone 1 67 - 2 - HE3 LYS 76 - HB3 ASN 54 lone 1 59 - 2 - HE2 LYS 76 - HB2 ASN 139 lone 1 49 - 2 - HE3 LYS 76 - HB2 ASN 139 lone 1 42 - 2 - HB2 ASN 54 - HB2 ASN 139 lone 1 49 - 1 - HB3 ASP 137 - HB3 ASN 54 lone 0 59 - 1 - HG3 MET 113 - HB2 ASN 139 lone 0 48 - 1 - HB2 ASN 96 - HB2 ASP 40 lone 0 57 - 0 - HB3 ASP 137 - HB2 ASN 139 lone 0 42 - 1 - HB2 ASN 96 - HB3 ASN 54 lone 0 33 - 1 - HB3 PHE 43 - HB2 ASN 139 lone 0 42 - 1 - HB2 ASN 96 - HB2 ASN 139 lone 0 23 - 0 - Peak 883 from cnoeabs.peaks (4.02, 2.75, 39.41 ppm; 5.19 A): 4 out of 14 assignments used, quality = 0.91: * HA GLU 37 + HB3 ASP 40 OK 68 100 - 68 - 6273/3.3=20, 757/1.8=20...(9) HA VAL 63 + HB3 ASP 40 OK 53 98 - 54 - 6273/3.3=10, 877/1.8=10...(11) HA GLU 81 + HB3 ASP 40 OK 29 100 - 29 - 6273/3.3=9, 757/1.8=7...(6) HA GLU 37 + HB2 ASN 54 OK 14 70 - 19 - 758=5, 757/1.8=4...(7) HB THR 107 - HB3 ASP 40 lone 7 99 - 7 - 6273/3.3=1, 877/1.8=1 HA LYS 123 - HB3 ASP 40 lone 7 100 - 7 - 6273/3.3=2, 877/1.8=1 HA VAL 63 - HB2 ASN 54 lone 5 66 - 8 - ~11659=2 HA GLU 81 - HB2 ASN 54 lone 4 70 - 6 - 757/1.8=1, 758=1 HB2 SER 103 - HB3 ASP 40 lone 4 89 - 5 - 6289/4.4=2 HB3 SER 100 - HB3 ASP 40 lone 4 89 - 4 - HA LYS 123 - HB2 ASN 54 lone 2 69 - 2 - HB THR 107 - HB2 ASN 54 lone 1 67 - 2 - HB3 SER 100 - HB2 ASN 54 lone 1 56 - 2 - HB2 SER 103 - HB2 ASN 54 lone 1 56 - 1 - Peak 884 from cnoeabs.peaks (8.57, 2.75, 39.41 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 40 + HB3 ASP 40 OK 100 100 - 100 - 3.3=100 H LEU 72 - HB3 ASP 40 OK 42 98 - 43 - 869/3.0=7, 4.3/8504=6...(14) H ASP 40 - HB2 ASN 54 OK 40 70 - 58 - 6284/1.8=10, 6285=8...(20) H LEU 72 - HB2 ASN 54 OK 31 66 - 47 - 10448/1.8=29, 10449=19...(4) H LYS 85 - HB3 ASP 40 OK 21 77 - 27 - 869/3.0=5, 3.6/885=4...(10) H LYS 85 - HB2 ASN 54 poor 6 47 - 14 - 3.0/8862=3, 6967/3.5=3...(5) Peak 885 from cnoeabs.peaks (4.42, 2.75, 39.41 ppm; 4.81 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 40 + HB3 ASP 40 OK 100 100 - 100 - 3.0=100 HA ASP 40 + HB2 ASN 54 OK 48 70 - 69 - 876=11, 871/1.8=10...(21) HA ASN 84 - HB3 ASP 40 OK 38 89 - 42 - 6283/3.3=7, 879/1.8=6...(12) HA ILE 58 - HB3 ASP 40 OK 21 92 - 22 - 6283/3.3=3, 879/1.8=3...(10) HA PRO 57 - HB3 ASP 40 poor 7 62 - 11 - ~1521=1, ~1513=1...(6) HA ASN 84 - HB2 ASN 54 lone 4 56 - 7 - 8839/3.5=2 HA PRO 33 - HB3 ASP 40 lone 3 68 - 4 - HA ILE 58 - HB2 ASN 54 lone 1 59 - 2 - HA PRO 57 - HB2 ASN 54 lone 1 37 - 2 - HA PRO 33 - HB2 ASN 54 lone 0 40 - 1 - Peak 886 from cnoeabs.peaks (2.83, 2.75, 39.41 ppm; 2.50 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ASP 40 + HB3 ASP 40 OK 100 100 - 100 - 1.8=100 HB3 ASN 54 + HB2 ASN 54 OK 67 67 - 100 - 1.8=100 HE3 LYS 114 - HB3 ASP 40 OK 31 94 - 33 - 3828=6, 871/3.0=3...(17) HB3 ASN 54 - HB3 ASP 40 OK 29 99 - 30 - 881=4, 3.5/11657=3...(16) HB2 ASP 40 - HB2 ASN 54 OK 20 70 - 28 - 881=4, 10623/3.0=3...(16) HB2 ASN 139 - HB3 ASP 40 OK 19 99 - 19 - ~4698=2, ~4698=2...(11) HB2 ASN 130 - HB3 ASP 40 lone 4 99 - 4 - HE3 LYS 114 - HB2 ASN 54 lone 2 62 - 4 - HB2 ASN 139 - HB2 ASN 54 lone 1 67 - 1 - HB2 ASN 130 - HB2 ASN 54 lone 0 67 - 1 - Peak 887 from cnoeabs.peaks (2.75, 2.75, 39.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 40 + HB3 ASP 40 OK 100 100 - 100 HB2 ASN 54 + HB2 ASN 54 OK 67 67 - 100 Peak 889 from cnoeabs.peaks (7.38, 4.46, 57.45 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 41 + HA ASP 41 OK 100 100 - 100 - 2.9=100 H LYS 114 - HA ASP 41 OK 20 96 - 21 - 898/3.0=4, 904/3.0=3...(7) H ARG 49 - HA ASP 41 lone 6 92 - 6 - 898/3.0=1, 904/3.0=1 Peak 890 from cnoeabs.peaks (4.46, 4.46, 57.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 41 + HA ASP 41 OK 100 100 - 100 Peak 891 from cnoeabs.peaks (2.77, 4.46, 57.45 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 41 + HA ASP 41 OK 100 100 - 100 - 3.0=100 HE2 LYS 114 - HA ASP 41 OK 21 72 - 29 - 6298/2.9=5, ~3820=4...(10) HB3 ASN 84 - HA ASP 41 OK 14 89 - 15 - 6298/2.9=3, 892=2...(7) HB3 TYR 119 - HA ASP 41 poor 9 85 - 11 - 6309/3.6=3, 906/3.0=2 HG3 GLN 111 - HA ASP 41 lone 7 92 - 8 - ~3641=1 HE3 LYS 76 - HA ASP 41 lone 6 85 - 7 - 6298/2.9=1 HE2 LYS 76 - HA ASP 41 lone 5 68 - 7 - 6298/2.9=1 Peak 892 from cnoeabs.peaks (2.80, 4.46, 57.45 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 41 + HA ASP 41 OK 100 100 - 100 - 3.0=100 HB3 ASN 139 - HA ASP 41 OK 36 98 - 36 - 3.5/9746=7, 3.5/9747=6...(12) HB2 ASN 128 - HA ASP 41 OK 14 100 - 14 - 901/3.0=2, 6310/3.6=2...(7) Peak 893 from cnoeabs.peaks (8.64, 4.46, 57.45 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA ASP 41 OK 100 100 - 100 - 3.6=100 H LEU 69 - HA ASP 41 OK 22 98 - 23 - 6300/2.9=6, 908/3.0=6...(5) Peak 894 from cnoeabs.peaks (7.82, 4.46, 57.45 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.74: * H SER 44 + HA ASP 41 OK 74 100 - 74 - 6342/3.6=18, 6341=17...(14) H THR 110 - HA ASP 41 lone 7 94 - 7 - ~7331=2, ~9281=1, 9282/3.0=1 H GLY 94 - HA ASP 41 lone 2 99 - 2 - H TYR 27 - HA ASP 41 lone 1 99 - 1 - H LEU 26 - HA ASP 41 lone 1 81 - 1 - Peak 895 from cnoeabs.peaks (4.16, 4.46, 57.45 ppm; 3.42 A): 3 out of 10 assignments used, quality = 0.89: * HB2 SER 44 + HA ASP 41 OK 60 100 - 60 - 3.9/894=15, 999=9...(19) HB3 SER 44 + HA ASP 41 OK 60 100 - 60 - 3.9/894=15, 999=9...(19) HA PHE 38 + HA ASP 41 OK 32 89 - 36 - 797/3.0=12, 795/2.9=11...(7) HA TRP 88 - HA ASP 41 lone 7 85 - 8 - 797/3.0=2, 795/2.9=2...(4) HA GLU 120 - HA ASP 41 lone 4 100 - 4 - HA LEU 64 - HA ASP 41 lone 3 81 - 3 - HA LYS 76 - HA ASP 41 lone 2 92 - 2 - HG1 THR 74 - HA ASP 41 lone 1 85 - 1 - HA3 GLY 125 - HA ASP 41 lone 1 96 - 1 - HA LEU 126 - HA ASP 41 lone 0 81 - 0 - Peak 896 from cnoeabs.peaks (4.16, 4.46, 57.45 ppm; 3.42 A): 3 out of 10 assignments used, quality = 0.89: HB2 SER 44 + HA ASP 41 OK 60 100 - 60 - 3.9/894=15, 999=9...(19) * HB3 SER 44 + HA ASP 41 OK 60 100 - 60 - 3.9/894=15, 999=9...(19) HA PHE 38 + HA ASP 41 OK 32 89 - 36 - 797/3.0=12, 795/2.9=11...(7) HA TRP 88 - HA ASP 41 lone 7 85 - 8 - 797/3.0=2, 795/2.9=2...(4) HA GLU 120 - HA ASP 41 lone 4 100 - 4 - HA LEU 64 - HA ASP 41 lone 3 81 - 3 - HA LYS 76 - HA ASP 41 lone 2 92 - 2 - HG1 THR 74 - HA ASP 41 lone 1 85 - 1 - HA3 GLY 125 - HA ASP 41 lone 1 96 - 1 - HA LEU 126 - HA ASP 41 lone 0 81 - 0 - Peak 897 from cnoeabs.peaks (4.17, 2.77, 41.76 ppm; 4.23 A): 3 out of 8 assignments used, quality = 0.96: HB3 SER 44 + HB2 ASP 41 OK 69 89 - 77 - 895/3.0=12, 903/1.8=12...(21) HB2 SER 44 + HB2 ASP 41 OK 68 89 - 77 - 903/1.8=12, 895/3.0=11...(21) * HA PHE 38 + HB2 ASP 41 OK 64 100 - 65 - 797/1.8=28, 796=22...(9) HA TRP 88 - HB2 ASP 41 OK 17 100 - 17 - 797/1.8=5, 796=4...(5) HA GLU 120 - HB2 ASP 41 lone 7 96 - 7 - 2.9/7480=2, 4.9/3983=1 HA LEU 64 - HB2 ASP 41 lone 7 100 - 7 - 4.0/8372=1, 6303/4.5=1 HG1 THR 74 - HB2 ASP 41 lone 2 100 - 2 - HA3 GLY 125 - HB2 ASP 41 lone 1 62 - 1 - Peak 898 from cnoeabs.peaks (7.38, 2.77, 41.76 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.97: * H ASP 41 + HB2 ASP 41 OK 97 100 - 97 - 3.8=94, 6299/1.8=33...(4) H LYS 114 - HB2 ASP 41 OK 18 96 - 19 - 904/1.8=5, 889/3.0=5...(4) H ARG 49 - HB2 ASP 41 lone 6 92 - 6 - 904/1.8=2, 889/3.0=1 Peak 899 from cnoeabs.peaks (4.46, 2.77, 41.76 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 41 + HB2 ASP 41 OK 100 100 - 100 - 3.0=100 HA SER 44 + HB2 ASP 41 OK 56 85 - 65 - ~894=11, 905/1.8=11...(22) HA ASP 137 - HB2 ASP 41 OK 22 100 - 22 - 905/1.8=5, 6297/3.8=3...(10) HA SER 103 - HB2 ASP 41 lone 5 89 - 6 - 905/1.8=1 HA3 GLY 31 - HB2 ASP 41 lone 3 92 - 3 - Peak 900 from cnoeabs.peaks (2.77, 2.77, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 41 + HB2 ASP 41 OK 100 100 - 100 Peak 901 from cnoeabs.peaks (2.80, 2.77, 41.76 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 41 + HB2 ASP 41 OK 100 100 - 100 - 1.8=100 HB3 ASN 139 - HB2 ASP 41 OK 12 98 - 12 - 892/3.0=3, 6299/3.8=2...(7) HB2 ASN 128 - HB2 ASP 41 lone 9 100 - 9 - ~4343=1, 892/3.0=1...(5) Peak 903 from cnoeabs.peaks (4.17, 2.80, 41.76 ppm; 4.51 A): 3 out of 8 assignments used, quality = 0.98: HB3 SER 44 + HB3 ASP 41 OK 72 89 - 81 - 895/3.0=13, 897/1.8=13...(21) HB2 SER 44 + HB3 ASP 41 OK 72 89 - 81 - 897/1.8=13, 895/3.0=13...(21) * HA PHE 38 + HB3 ASP 41 OK 69 100 - 70 - 797=35, 796/1.8=20...(9) HA TRP 88 - HB3 ASP 41 OK 19 100 - 19 - 797=6, 795/3.8=4...(5) HA LEU 64 - HB3 ASP 41 lone 8 100 - 8 - 6303/4.5=2, 897/1.8=1 HA GLU 120 - HB3 ASP 41 lone 6 96 - 6 - ~7480=2, 897/1.8=1 HG1 THR 74 - HB3 ASP 41 lone 2 100 - 2 - HA3 GLY 125 - HB3 ASP 41 lone 1 62 - 1 - Peak 904 from cnoeabs.peaks (7.38, 2.80, 41.76 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 41 + HB3 ASP 41 OK 100 100 - 100 - 3.8=100 H LYS 114 - HB3 ASP 41 OK 17 96 - 17 - 898/1.8=6, 889/3.0=5...(4) H ARG 49 - HB3 ASP 41 lone 5 92 - 5 - 898/1.8=2, 889/3.0=1 Peak 905 from cnoeabs.peaks (4.46, 2.80, 41.76 ppm; 4.00 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 41 + HB3 ASP 41 OK 100 100 - 100 - 3.0=100 HA SER 44 + HB3 ASP 41 OK 58 85 - 69 - 899/1.8=12, ~894=12...(22) HA ASP 137 - HB3 ASP 41 OK 30 100 - 30 - 899/1.8=5, 5.0/4601=4...(16) HA SER 103 - HB3 ASP 41 lone 6 89 - 7 - 899/1.8=1, ~7211=1 HA3 GLY 31 - HB3 ASP 41 lone 3 92 - 3 - Peak 906 from cnoeabs.peaks (2.77, 2.80, 41.76 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 41 + HB3 ASP 41 OK 100 100 - 100 - 1.8=100 HB3 TYR 119 - HB3 ASP 41 lone 8 85 - 9 - 4.5/10747=3, 6309/4.5=1 HE2 LYS 114 - HB3 ASP 41 poor 8 72 - 10 - 901=2, 6298/3.8=2, 891/3.0=2 HB3 ASN 84 - HB3 ASP 41 lone 7 89 - 8 - 891/3.0=1, 901/1.8=1...(5) HG3 GLN 111 - HB3 ASP 41 lone 3 92 - 3 - HE3 LYS 76 - HB3 ASP 41 lone 2 85 - 3 - HE2 LYS 76 - HB3 ASP 41 lone 2 68 - 3 - Peak 907 from cnoeabs.peaks (2.80, 2.80, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 41 + HB3 ASP 41 OK 100 100 - 100 Peak 908 from cnoeabs.peaks (8.64, 2.80, 41.76 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 ASP 41 OK 100 100 - 100 - 4.5=100 H LEU 69 - HB3 ASP 41 OK 13 98 - 13 - 6300/3.8=5, 893/3.0=4...(4) Peak 909 from cnoeabs.peaks (8.64, 3.45, 57.70 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 - 100 - 2.9=100 H LEU 69 + HA LEU 42 OK 48 98 - 49 - 946/3.9=9, 921/3.0=8...(11) Peak 910 from cnoeabs.peaks (3.45, 3.45, 57.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 911 from cnoeabs.peaks (-0.23, 3.45, 57.70 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 Peak 912 from cnoeabs.peaks (0.87, 3.45, 57.70 ppm; 4.66 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 64 - HA LEU 42 OK 44 89 - 50 - 957/3.8=8, 949/3.9=8...(15) QG2 ILE 83 - HA LEU 42 OK 41 72 - 56 - 957/3.8=8, 949/3.9=8...(21) QG2 ILE 56 - HA LEU 42 OK 25 100 - 25 - 10135/3.9=5, 6313/2.9=4...(9) QG2 ILE 136 - HA LEU 42 poor 8 68 - 12 - 6313/2.9=2, 957/3.8=2...(5) QG2 ILE 101 - HA LEU 42 lone 6 68 - 9 - 3.2/10183=1, 6327/3.6=1 QD1 LEU 97 - HA LEU 42 lone 6 77 - 8 - 957/3.8=1 Peak 913 from cnoeabs.peaks (0.81, 3.45, 57.70 ppm; 4.62 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.7=100 QD1 LEU 95 + HA LEU 42 OK 67 100 - 67 - 934/3.0=19, 950/3.9=16...(8) Peak 914 from cnoeabs.peaks (0.52, 3.45, 57.70 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.91: * QD1 LEU 42 + HA LEU 42 OK 91 100 - 91 - 3.9=74, 6329/3.6=18...(17) Peak 915 from cnoeabs.peaks (0.31, 3.45, 57.70 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.8=100 QD1 ILE 91 - HA LEU 42 OK 24 62 - 38 - 927/3.0=9, 952/3.9=9...(7) Peak 916 from cnoeabs.peaks (8.76, 3.45, 57.70 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 43 + HA LEU 42 OK 100 100 - 100 - 3.6=100 Peak 917 from cnoeabs.peaks (8.80, 3.45, 57.70 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.94: * H PHE 45 + HA LEU 42 OK 94 100 - 94 - 6338/3.6=43, 3.5/919=34...(12) Peak 918 from cnoeabs.peaks (3.51, 3.45, 57.70 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.74: * HB2 PHE 45 + HA LEU 42 OK 74 100 - 74 - 1.8/919=33, 1022=29...(10) HA2 GLY 77 - HA LEU 42 lone 9 100 - 9 - 918=3, 1034/919=3, 6366/917=1 Peak 919 from cnoeabs.peaks (3.46, 3.45, 57.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HA LEU 42 + HA LEU 42 OK 68 68 - 100 Reference assignment not found: HB3 PHE 45 - HA LEU 42 Peak 921 from cnoeabs.peaks (8.64, -0.23, 40.39 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.8=100 H LEU 69 - HB2 LEU 42 OK 44 98 - 45 - 946/3.2=13, 909/3.0=12...(8) Peak 922 from cnoeabs.peaks (3.45, -0.23, 40.39 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 HB2 TYR 117 + HB2 LEU 42 OK 83 100 - 83 - ~8158=39, ~8158=35...(11) HB3 PHE 45 + HB2 LEU 42 OK 61 62 - 98 - ~1022=42, ~918=41...(18) Peak 923 from cnoeabs.peaks (-0.23, -0.23, 40.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 924 from cnoeabs.peaks (0.87, -0.23, 40.39 ppm; 5.10 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 1.8=100 QD1 LEU 64 + HB2 LEU 42 OK 62 89 - 70 - ~8156=14, 957/3.1=10...(17) QG2 ILE 83 + HB2 LEU 42 OK 55 72 - 76 - ~10016=11, 957/3.1=11...(25) QG2 ILE 56 - HB2 LEU 42 OK 33 100 - 33 - 10135/3.2=7, 957/3.1=5...(12) QG2 ILE 136 - HB2 LEU 42 OK 13 68 - 20 - 957/3.1=2, 6313/3.8=2...(7) QD1 LEU 97 - HB2 LEU 42 poor 8 77 - 10 - 957/3.1=1, 912/3.0=1 QG2 ILE 101 - HB2 LEU 42 poor 8 68 - 11 - 10135/3.2=1, ~10183=1...(5) Peak 925 from cnoeabs.peaks (0.81, -0.23, 40.39 ppm; 5.40 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 95 + HB2 LEU 42 OK 94 100 - 94 - 958/3.1=21, 950/3.2=21...(23) Peak 926 from cnoeabs.peaks (0.52, -0.23, 40.39 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.2=100 Peak 927 from cnoeabs.peaks (0.31, -0.23, 40.39 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 ILE 91 + HB2 LEU 42 OK 51 62 - 82 - ~8154=15, ~8145=14...(21) Peak 932 from cnoeabs.peaks (-0.23, 0.87, 40.39 ppm; 6.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 1.8=100 Peak 933 from cnoeabs.peaks (0.87, 0.87, 40.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 Peak 934 from cnoeabs.peaks (0.81, 0.87, 40.39 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 95 + HB3 LEU 42 OK 98 100 - 98 - 925/1.8=24, 943/3.2=23...(26) Peak 935 from cnoeabs.peaks (0.52, 0.87, 40.39 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.2=100 Peak 936 from cnoeabs.peaks (0.31, 0.87, 40.39 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 ILE 91 + HB3 LEU 42 OK 58 62 - 93 - ~8145=22, ~8154=22...(23) Peak 938 from cnoeabs.peaks (8.64, 0.81, 26.98 ppm; 4.37 A): 4 out of 4 assignments used, quality = 0.99: * H LEU 42 + HG LEU 42 OK 92 100 - 92 - 5.1=62, 6316/2.1=30...(11) H LEU 42 + QD1 LEU 95 OK 64 99 - 65 - 6314=20, 3.8/934=16...(9) H LEU 69 + HG LEU 42 OK 53 98 - 54 - 946/2.1=12, 909/3.7=9...(12) H LEU 69 + QD1 LEU 95 OK 49 95 - 51 - 8466/2.1=13, 2.9/9066=7...(16) Peak 939 from cnoeabs.peaks (3.45, 0.81, 26.98 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.7=100 HB2 TYR 117 + HG LEU 42 OK 83 100 - 84 - ~8158=45, ~8158=41...(8) HA LEU 42 + QD1 LEU 95 OK 82 99 - 83 - 3.0/925=23, 3.9/943=23...(9) HB3 PHE 45 + HG LEU 42 OK 53 62 - 85 - ~10717=32, 919/3.7=30...(10) HB2 TYR 117 - QD1 LEU 95 OK 17 98 - 17 - 955/958=3, 947/943=3...(6) HB3 PHE 45 - QD1 LEU 95 OK 10 59 - 18 - 919/913=6, 6311/6314=2...(6) Peak 941 from cnoeabs.peaks (0.87, 0.81, 26.98 ppm; 2.50 A): 5 out of 14 assignments used, quality = 0.93: * HB3 LEU 42 + HG LEU 42 OK 69 100 - 69 - 3.0=59, ~914=6, ~947=6...(7) HB3 LEU 42 + QD1 LEU 95 OK 52 99 - 53 - 934=20, 1.8/11431=9...(19) QG2 ILE 83 + QD1 LEU 95 OK 25 69 - 37 - 3.2/9067=4, ~9075=3...(17) QD1 LEU 64 + HG LEU 42 OK 22 89 - 24 - 2.1/9074=5, ~8156=4...(8) QG2 ILE 83 + HG LEU 42 OK 17 72 - 24 - 949/2.1=4, 957/2.1=3...(9) QD1 LEU 64 - QD1 LEU 95 lone 8 86 - 10 - 2.1/9074=2, 9027/9074=1 QG2 ILE 56 - HG LEU 42 lone 8 100 - 8 - 10135/2.1=2, 957/2.1=1 QG2 ILE 136 - QD1 LEU 95 lone 6 64 - 9 - QD1 LEU 97 - QD1 LEU 95 lone 5 74 - 7 - 9103/4.8=2, 4.8/10118=1 QD1 LEU 97 - HG LEU 42 lone 4 77 - 5 - QG2 ILE 136 - HG LEU 42 lone 4 68 - 6 - QG2 ILE 56 - QD1 LEU 95 lone 2 98 - 2 - QG2 ILE 101 - HG LEU 42 lone 2 68 - 3 - QG2 ILE 101 - QD1 LEU 95 lone 2 64 - 2 - Peak 942 from cnoeabs.peaks (0.81, 0.81, 26.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 QD1 LEU 95 + QD1 LEU 95 OK 99 99 - 100 Peak 943 from cnoeabs.peaks (0.52, 0.81, 26.98 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 + QD1 LEU 95 OK 89 99 - 90 - 950=22, 2.1/958=19...(24) Peak 944 from cnoeabs.peaks (0.31, 0.81, 26.98 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 + QD1 LEU 95 OK 86 99 - 87 - 958=23, 2.1/950=19...(24) QD1 ILE 91 - HG LEU 42 OK 44 62 - 71 - 952/2.1=10, ~8154=10...(23) QD1 ILE 91 - QD1 LEU 95 OK 18 59 - 30 - ~11031=4, 4.5/3159=4...(12) Peak 946 from cnoeabs.peaks (8.64, 0.52, 22.80 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 4.4=100 H LEU 69 + QD1 LEU 42 OK 53 98 - 54 - 946=17, 5.0/8143=10...(10) Peak 947 from cnoeabs.peaks (3.45, 0.52, 22.80 ppm; 3.36 A): 3 out of 3 assignments used, quality = 0.93: * HA LEU 42 + QD1 LEU 42 OK 85 100 - 85 - 3.9=63, 3.6/6329=16...(15) HB2 TYR 117 + QD1 LEU 42 OK 36 100 - 36 - 3.0/8158=22, 1.8/8151=7...(7) HB3 PHE 45 + QD1 LEU 42 OK 28 62 - 44 - 2.4/8161=13...(10) Peak 948 from cnoeabs.peaks (-0.23, 0.52, 22.80 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.2=100 Peak 949 from cnoeabs.peaks (0.87, 0.52, 22.80 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 - QD1 LEU 42 OK 40 89 - 45 - 949=10, ~8156=8...(16) QG2 ILE 83 - QD1 LEU 42 OK 35 72 - 49 - 949=10, 2.1/10016=9...(20) QG2 ILE 56 - QD1 LEU 42 OK 18 100 - 18 - 10135=3, 957/2.1=3...(7) QG2 ILE 136 - QD1 LEU 42 poor 8 68 - 12 - 957/2.1=1, 2.3/8143=1 QD1 LEU 97 - QD1 LEU 42 lone 4 77 - 5 - QG2 ILE 101 - QD1 LEU 42 lone 4 68 - 6 - Peak 950 from cnoeabs.peaks (0.81, 0.52, 22.80 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 95 + QD1 LEU 42 OK 71 100 - 71 - 950=17, 934/3.2=11...(23) Peak 951 from cnoeabs.peaks (0.52, 0.52, 22.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 Peak 952 from cnoeabs.peaks (0.31, 0.52, 22.80 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 91 - QD1 LEU 42 OK 30 62 - 48 - 3.2/8147=5, ~8154=5...(21) Peak 955 from cnoeabs.peaks (3.45, 0.31, 25.30 ppm; 6.35 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.8=100 HB2 TYR 117 + QD2 LEU 42 OK 81 100 - 81 - ~8158=42, ~8158=38...(11) HB3 PHE 45 + QD2 LEU 42 OK 57 62 - 91 - 3.5/10508=37, 919/3.8=29...(14) Peak 956 from cnoeabs.peaks (-0.23, 0.31, 25.30 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 Peak 957 from cnoeabs.peaks (0.87, 0.31, 25.30 ppm; 3.98 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 LEU 64 + QD2 LEU 42 OK 53 89 - 60 - 2.1/8156=19, 957=12...(17) QG2 ILE 83 + QD2 LEU 42 OK 46 72 - 63 - 957=12, 949/2.1=9...(30) QG2 ILE 56 - QD2 LEU 42 OK 29 100 - 29 - 10135/2.1=6, 3.1/8156=6...(10) QG2 ILE 136 - QD2 LEU 42 OK 14 68 - 21 - 9901/8405=4, 9892/9893=3...(5) QD1 LEU 97 - QD2 LEU 42 poor 9 77 - 11 - 9901/8405=1, 9130/9029=1 QG2 ILE 101 - QD2 LEU 42 lone 6 68 - 10 - 9901/8405=2, 9892/9893=1 Peak 958 from cnoeabs.peaks (0.81, 0.31, 25.30 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 95 + QD2 LEU 42 OK 83 100 - 83 - 958=17, 950/2.1=17...(23) Peak 959 from cnoeabs.peaks (0.52, 0.31, 25.30 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 Peak 960 from cnoeabs.peaks (0.31, 0.31, 25.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 962 from cnoeabs.peaks (8.76, 4.20, 61.03 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 43 + HA PHE 43 OK 100 100 - 100 - 2.8=100 Peak 963 from cnoeabs.peaks (4.20, 4.20, 61.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 43 + HA PHE 43 OK 100 100 - 100 Peak 964 from cnoeabs.peaks (2.69, 4.20, 61.03 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 43 + HA PHE 43 OK 100 100 - 100 - 3.0=100 HB2 ASP 137 + HA PHE 43 OK 61 89 - 69 - 985/3.0=12, 1.8/965=10...(21) HB3 TYR 115 - HA PHE 43 OK 25 99 - 26 - 985/3.0=4, ~3842=3...(11) HB3 ASP 13 - HA PHE 43 OK 13 100 - 12 - 972=5, 6332/2.8=1...(4) HB3 ASP 16 - HA PHE 43 OK 12 81 - 14 - ~157=2, 965=2, 985/3.0=2...(9) HB2 ASP 32 - HA PHE 43 OK 10 94 - 10 - 985/3.0=2, ~420=1...(7) Peak 965 from cnoeabs.peaks (2.74, 4.20, 61.03 ppm; 4.11 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + HA PHE 43 OK 100 100 - 100 - 3.0=100 HB3 ASP 137 + HA PHE 43 OK 62 100 - 63 - 1.8/964=9, 4660/3.0=9...(21) HB3 ASP 40 - HA PHE 43 OK 42 92 - 46 - ~875=9, ~875=9, ~10488=9...(14) HG3 MET 113 - HA PHE 43 OK 23 100 - 23 - 3.0/971=6, 977/3.0=3...(12) HE2 LYS 76 - HA PHE 43 poor 8 77 - 10 - 977/3.0=1 HB2 ASN 96 - HA PHE 43 lone 7 92 - 7 - HE3 LYS 76 - HA PHE 43 poor 6 57 - 10 - HE2 LYS 114 - HA PHE 43 lone 5 72 - 7 - 3.7/10828=2 HB2 ASN 54 - HA PHE 43 lone 5 99 - 5 - Peak 966 from cnoeabs.peaks (7.35, 4.20, 61.03 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 43 + HA PHE 43 OK 100 100 - 100 - 3.1=100 H ARG 109 - HA PHE 43 OK 17 94 - 18 - 6334/2.8=3, ~3517=3...(7) H GLY 77 - HA PHE 43 lone 6 89 - 7 - 6348/3.6=2, 6334/2.8=1 Peak 970 from cnoeabs.peaks (8.54, 4.20, 61.03 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.91: * H MET 46 + HA PHE 43 OK 83 100 - 83 - 6375=26, 3.0/6360=22...(15) H CYS 121 + HA PHE 43 OK 31 98 - 32 - 7499=5, 6355/3.6=4...(16) H GLN 111 + HA PHE 43 OK 20 89 - 22 - 4.4/10828=4, 6355/3.6=4...(7) Peak 971 from cnoeabs.peaks (2.19, 4.20, 61.03 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.92: * HB2 MET 46 + HA PHE 43 OK 80 100 - 80 - 4.0/970=30, 1.8/972=25...(10) HB2 MET 113 + HA PHE 43 OK 45 100 - 45 - 3.0/965=5, 3694/3.0=5...(19) HB3 PRO 57 + HA PHE 43 OK 13 81 - 16 - 10587/970=2, 1060/972=2...(7) HG2 GLU 75 + HA PHE 43 OK 13 100 - 13 - 1060/972=2, 6386/970=2...(6) HB3 LYS 86 - HA PHE 43 poor 8 68 - 12 - 4.6/8905=7 Peak 972 from cnoeabs.peaks (2.72, 4.20, 61.03 ppm; 4.13 A): 3 out of 6 assignments used, quality = 0.62: * HB3 MET 46 + HA PHE 43 OK 49 100 - 49 - 1.8/971=15, 4.0/970=15...(7) HB3 CYS 121 + HA PHE 43 OK 18 81 - 22 - 4.1/970=6, 4053=3...(9) HB3 TYR 70 + HA PHE 43 OK 11 92 - 12 - 3.6/6700=4, 4.4/6718=3, ~6320=2 HB3 GLU 120 - HA PHE 43 lone 9 98 - 9 - 4.6/970=5, 6387/970=1 HB2 PHE 38 - HA PHE 43 lone 5 92 - 5 - 803/4.8=2 HB2 ASN 84 - HA PHE 43 lone 4 98 - 4 - Peak 976 from cnoeabs.peaks (2.69, 2.69, 36.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 43 + HB2 PHE 43 OK 100 100 - 100 Peak 977 from cnoeabs.peaks (2.74, 2.69, 36.36 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + HB2 PHE 43 OK 100 100 - 100 - 1.8=100 HB3 ASP 137 + HB2 PHE 43 OK 65 100 - 65 - ~985=8, 4660=8, ~985=8...(22) HB3 ASP 40 - HB2 PHE 43 OK 43 92 - 47 - 3.0/875=18, ~10488=8...(13) HG3 MET 113 - HB2 PHE 43 OK 22 100 - 23 - ~971=3, 965/3.0=3...(11) HE2 LYS 76 - HB2 PHE 43 poor 8 77 - 10 - HB2 ASN 96 - HB2 PHE 43 lone 7 92 - 7 - ~3169=1, ~3183=1 HB2 ASN 54 - HB2 PHE 43 lone 6 99 - 6 - 876/875=2 HE3 LYS 76 - HB2 PHE 43 lone 5 57 - 9 - HE2 LYS 114 - HB2 PHE 43 lone 4 72 - 6 - 872/875=1 Peak 984 from cnoeabs.peaks (4.20, 2.74, 36.36 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HA PHE 43 + HB3 PHE 43 OK 100 100 - 100 - 3.0=100 HA ALA 134 + HB3 PHE 43 OK 50 77 - 65 - ~11632=33, ~10323=12...(14) HA PHE 67 + HB3 PHE 43 OK 48 99 - 49 - ~1934=9, 9911/4.5=9...(8) HA CYS 121 - HB3 PHE 43 OK 34 77 - 44 - ~970=9, ~972=7, ~7499=6...(9) HA ILE 101 - HB3 PHE 43 poor 6 62 - 10 - 6331/3.8=1, 6345/4.5=1 Peak 985 from cnoeabs.peaks (2.69, 2.74, 36.36 ppm; 2.91 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PHE 43 + HB3 PHE 43 OK 100 100 - 100 - 1.8=100 HB2 ASP 137 - HB3 PHE 43 OK 40 89 - 45 - 4655=9, 3.0/4646=5...(18) HB3 TYR 115 - HB3 PHE 43 OK 10 99 - 11 - ~3842=1, 964/3.0=1...(4) HB3 ASP 16 - HB3 PHE 43 lone 6 81 - 8 - 1.8/157=2, 3.0/152=1 HB2 ASP 32 - HB3 PHE 43 lone 5 94 - 5 - HB3 ASP 13 - HB3 PHE 43 lone 4 100 - 4 - 972/3.0=1 Peak 986 from cnoeabs.peaks (2.74, 2.74, 36.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 43 + HB3 PHE 43 OK 100 100 - 100 Peak 991 from cnoeabs.peaks (7.82, 4.47, 61.36 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * H SER 44 + HA SER 44 OK 100 100 - 100 - 2.9=100 H THR 110 - HA SER 44 OK 15 94 - 16 - 6361/3.6=4, 11209/4.8=3...(6) H GLY 94 - HA SER 44 lone 9 99 - 9 - 6361/3.6=2, ~7096=1, 7099/4.9=1 H TYR 27 - HA SER 44 lone 7 99 - 7 - 1006/3.0=1, 1006/3.0=1 H LEU 26 - HA SER 44 lone 5 81 - 6 - Peak 992 from cnoeabs.peaks (4.47, 4.47, 61.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 44 + HA SER 44 OK 100 100 - 100 Peak 993 from cnoeabs.peaks (4.16, 4.47, 61.36 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: HB3 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 * HB2 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HA PHE 38 - HA SER 44 lone 8 89 - 10 - 797/905=1 HA GLU 120 - HA SER 44 lone 7 100 - 7 - 6364/3.6=2, 6353/2.9=1 HA LYS 76 - HA SER 44 lone 5 92 - 6 - ~2251=1 HA TRP 88 - HA SER 44 lone 3 85 - 4 - 2828/9817=1 HA LEU 126 - HA SER 44 lone 2 81 - 2 - HA LEU 64 - HA SER 44 lone 2 81 - 2 - HA3 GLY 125 - HA SER 44 lone 1 96 - 1 - HG1 THR 74 - HA SER 44 lone 1 85 - 1 - Peak 994 from cnoeabs.peaks (4.16, 4.47, 61.36 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: * HB3 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HB2 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HA PHE 38 - HA SER 44 lone 8 89 - 10 - 797/905=1 HA GLU 120 - HA SER 44 lone 7 100 - 7 - 6364/3.6=2, 6353/2.9=1 HA LYS 76 - HA SER 44 lone 5 92 - 6 - ~2251=1 HA TRP 88 - HA SER 44 lone 3 85 - 4 - 2828/9817=1 HA LEU 126 - HA SER 44 lone 2 81 - 2 - HA LEU 64 - HA SER 44 lone 2 81 - 2 - HA3 GLY 125 - HA SER 44 lone 1 96 - 1 - HG1 THR 74 - HA SER 44 lone 1 85 - 1 - Peak 995 from cnoeabs.peaks (8.80, 4.47, 61.36 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HA SER 44 OK 100 100 - 100 - 3.6=100 Peak 996 from cnoeabs.peaks (7.99, 4.47, 61.36 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.93: * H GLN 47 + HA SER 44 OK 90 100 - 91 - 4.0/997=31, 4.0/998=30...(13) H ARG 140 + HA SER 44 OK 26 100 - 26 - 7814=5, 2.9/10369=4...(9) H ALA 104 - HA SER 44 OK 25 92 - 27 - 2.9/9205=7, 7217=5...(9) H VAL 73 - HA SER 44 OK 12 96 - 12 - 8572/3.0=2, 8572/3.0=2...(5) Peak 997 from cnoeabs.peaks (2.36, 4.47, 61.36 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.70: * HB2 GLN 47 + HA SER 44 OK 70 100 - 70 - 1099=20, 1.8/1109=17...(11) HB2 PRO 98 - HA SER 44 lone 5 81 - 6 - 1112/1109=2, 6406/6395=2 HE2 LYS 123 - HA SER 44 lone 3 96 - 3 - Peak 998 from cnoeabs.peaks (2.33, 4.47, 61.36 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.75: * HB3 GLN 47 + HA SER 44 OK 75 100 - 75 - 1109=23, 1.8/1099=21...(10) HB2 PRO 98 - HA SER 44 lone 6 81 - 8 - 1103/1099=3, 6407/6395=2 HG2 GLU 142 - HA SER 44 lone 2 77 - 2 - Peak 999 from cnoeabs.peaks (4.46, 4.16, 62.87 ppm; 2.83 A): 4 out of 10 assignments used, quality = 0.98: HA SER 44 + HB2 SER 44 OK 76 85 - 89 - 3.0=83, 2.9/6352=10...(9) HA SER 44 + HB3 SER 44 OK 76 85 - 89 - 3.0=83, 2.9/6353=10...(9) * HA ASP 41 + HB2 SER 44 OK 48 100 - 48 - 895=10, 894/3.9=10...(18) HA ASP 41 + HB3 SER 44 OK 48 100 - 48 - 895=10, 894/3.9=10...(18) HA ASP 137 - HB2 SER 44 lone 7 100 - 7 - 6341/3.9=2, 6357/4.6=1 HA ASP 137 - HB3 SER 44 lone 7 100 - 7 - 6341/3.9=2, 6357/4.6=1 HA SER 103 - HB2 SER 44 lone 3 89 - 4 - HA SER 103 - HB3 SER 44 lone 3 89 - 4 - HA3 GLY 31 - HB2 SER 44 lone 1 92 - 1 - HA3 GLY 31 - HB3 SER 44 lone 1 92 - 1 - Peak 1000 from cnoeabs.peaks (7.82, 4.16, 62.87 ppm; 3.06 A): 2 out of 10 assignments used, quality = 0.96: H SER 44 + HB3 SER 44 OK 81 100 - 81 - 3.9=48, 6353/1.8=17...(18) * H SER 44 + HB2 SER 44 OK 81 100 - 81 - 3.9=48, 6353/1.8=17...(18) H TYR 27 - HB3 SER 44 lone 6 99 - 6 - 6.6/10502=3, 3.9/11499=1 H TYR 27 - HB2 SER 44 lone 6 99 - 6 - 6.6/10502=2, 3.9/11499=1 H THR 110 - HB3 SER 44 lone 4 94 - 4 - 991/3.0=2, 6361/4.6=1 H THR 110 - HB2 SER 44 lone 4 94 - 4 - 991/3.0=2, 6361/4.6=1 H GLY 94 - HB3 SER 44 lone 3 99 - 3 - 991/3.0=1 H GLY 94 - HB2 SER 44 lone 3 99 - 3 - 991/3.0=1 H LEU 26 - HB3 SER 44 lone 3 81 - 4 - 5.3/8167=1 H LEU 26 - HB2 SER 44 lone 3 81 - 4 - 5.3/8167=1 Peak 1001 from cnoeabs.peaks (4.47, 4.16, 62.87 ppm; 2.83 A): 2 out of 10 assignments used, quality = 0.99: * HA SER 44 + HB2 SER 44 OK 89 100 - 89 - 3.0=83, 2.9/6353=10...(9) HA SER 44 + HB3 SER 44 OK 89 100 - 89 - 3.0=83, 2.9/6352=10...(9) HA ASP 41 - HB2 SER 44 OK 37 85 - 44 - 895=8, 894/3.9=7...(18) HA ASP 41 - HB3 SER 44 OK 37 85 - 44 - 895=8, 894/3.9=7...(18) HA ASP 137 - HB2 SER 44 lone 7 94 - 7 - 6351/3.9=2 HA ASP 137 - HB3 SER 44 lone 7 94 - 7 - 6351/3.9=2 HA SER 103 - HB2 SER 44 lone 4 100 - 4 - HA SER 103 - HB3 SER 44 lone 4 100 - 4 - HA3 GLY 31 - HB2 SER 44 lone 1 100 - 1 - HA3 GLY 31 - HB3 SER 44 lone 1 100 - 1 - Peak 1002 from cnoeabs.peaks (4.16, 4.16, 62.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 * HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Peak 1003 from cnoeabs.peaks (4.16, 4.16, 62.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Reference assignment not found: HB3 SER 44 - HB2 SER 44 Peak 1004 from cnoeabs.peaks (8.80, 4.16, 62.87 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.94: * H PHE 45 + HB2 SER 44 OK 75 100 - 75 - 4.6=42, 6354/3.9=22...(10) H PHE 45 + HB3 SER 44 OK 75 100 - 75 - 4.6=42, 6354/3.9=22...(10) Peak 1005 from cnoeabs.peaks (4.46, 4.16, 62.87 ppm; 2.83 A): 4 out of 10 assignments used, quality = 0.98: HA SER 44 + HB2 SER 44 OK 76 85 - 89 - 3.0=83, 2.9/6352=10...(9) HA SER 44 + HB3 SER 44 OK 76 85 - 89 - 3.0=83, 2.9/6353=10...(9) HA ASP 41 + HB2 SER 44 OK 48 100 - 48 - 895=10, 894/3.9=10...(18) * HA ASP 41 + HB3 SER 44 OK 48 100 - 48 - 895=10, 894/3.9=10...(18) HA ASP 137 - HB2 SER 44 lone 7 100 - 7 - 6341/3.9=2, 6357/4.6=1 HA ASP 137 - HB3 SER 44 lone 7 100 - 7 - 6341/3.9=2, 6357/4.6=1 HA SER 103 - HB2 SER 44 lone 3 89 - 4 - HA SER 103 - HB3 SER 44 lone 3 89 - 4 - HA3 GLY 31 - HB2 SER 44 lone 1 92 - 1 - HA3 GLY 31 - HB3 SER 44 lone 1 92 - 1 - Peak 1006 from cnoeabs.peaks (7.82, 4.16, 62.87 ppm; 3.06 A): 2 out of 10 assignments used, quality = 0.96: * H SER 44 + HB3 SER 44 OK 81 100 - 81 - 3.9=48, 6353/1.8=17...(18) H SER 44 + HB2 SER 44 OK 81 100 - 81 - 3.9=48, 6353/1.8=17...(18) H TYR 27 - HB3 SER 44 lone 6 99 - 6 - 6.6/10502=3, 3.9/11499=1 H TYR 27 - HB2 SER 44 lone 6 99 - 6 - 6.6/10502=2, 3.9/11499=1 H THR 110 - HB3 SER 44 lone 4 94 - 4 - 991/3.0=2, 6361/4.6=1 H THR 110 - HB2 SER 44 lone 4 94 - 4 - 991/3.0=2, 6361/4.6=1 H GLY 94 - HB3 SER 44 lone 3 99 - 3 - 991/3.0=1 H GLY 94 - HB2 SER 44 lone 3 99 - 3 - 991/3.0=1 H LEU 26 - HB3 SER 44 lone 3 81 - 4 - 5.3/8167=1 H LEU 26 - HB2 SER 44 lone 3 81 - 4 - 5.3/8167=1 Peak 1007 from cnoeabs.peaks (4.47, 4.16, 62.87 ppm; 2.83 A): 2 out of 10 assignments used, quality = 0.99: HA SER 44 + HB2 SER 44 OK 89 100 - 89 - 3.0=83, 2.9/6353=10...(9) * HA SER 44 + HB3 SER 44 OK 89 100 - 89 - 3.0=83, 2.9/6352=10...(9) HA ASP 41 - HB2 SER 44 OK 37 85 - 44 - 895=8, 894/3.9=7...(18) HA ASP 41 - HB3 SER 44 OK 37 85 - 44 - 895=8, 894/3.9=7...(18) HA ASP 137 - HB2 SER 44 lone 7 94 - 7 - 6351/3.9=2 HA ASP 137 - HB3 SER 44 lone 7 94 - 7 - 6351/3.9=2 HA SER 103 - HB2 SER 44 lone 4 100 - 4 - HA SER 103 - HB3 SER 44 lone 4 100 - 4 - HA3 GLY 31 - HB2 SER 44 lone 1 100 - 1 - HA3 GLY 31 - HB3 SER 44 lone 1 100 - 1 - Peak 1008 from cnoeabs.peaks (4.16, 4.16, 62.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Reference assignment not found: HB2 SER 44 - HB3 SER 44 Peak 1009 from cnoeabs.peaks (4.16, 4.16, 62.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Peak 1010 from cnoeabs.peaks (8.80, 4.16, 62.87 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.94: H PHE 45 + HB2 SER 44 OK 75 100 - 75 - 4.6=42, 6354/3.9=22...(10) * H PHE 45 + HB3 SER 44 OK 75 100 - 75 - 4.6=42, 6354/3.9=22...(10) Peak 1011 from cnoeabs.peaks (8.80, 4.22, 60.96 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 45 + HA PHE 45 OK 100 100 - 100 - 2.8=100 H PHE 45 - HA ILE 101 OK 35 92 - 38 - 6365=10, 3.5/1014=6...(12) Peak 1012 from cnoeabs.peaks (4.22, 4.22, 60.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PHE 45 + HA PHE 45 OK 100 100 - 100 HA ILE 101 + HA ILE 101 OK 87 87 - 100 Peak 1013 from cnoeabs.peaks (3.51, 4.22, 60.96 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 HB2 PHE 45 - HA ILE 101 OK 33 92 - 36 - 1.8/1014=8, 1024=6...(11) HA2 GLY 77 - HA PHE 45 OK 24 100 - 23 - 1034/3.0=5, 5581/3.1=4...(7) HA2 GLY 77 - HA ILE 101 lone 2 92 - 2 - Peak 1014 from cnoeabs.peaks (3.46, 4.22, 60.96 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 HB3 PHE 45 - HA ILE 101 OK 34 92 - 37 - 1.8/1013=8, 3.5/1011=6...(12) HA LEU 42 - HA PHE 45 OK 29 68 - 43 - 1022/3.0=13, 919/3.0=12...(8) HB2 TYR 117 - HA PHE 45 OK 12 81 - 15 - ~3916=3, ~4666=3...(7) HA LEU 42 - HA ILE 101 lone 3 57 - 6 - 1022/1013=1, 6358/1011=1 HB2 TYR 117 - HA ILE 101 lone 1 69 - 1 - Peak 1015 from cnoeabs.peaks (7.23, 4.22, 60.96 ppm; 3.52 A): 3 out of 8 assignments used, quality = 0.95: * QD PHE 45 + HA PHE 45 OK 92 92 - 100 - 3.1=100 QD PHE 45 + HA ILE 101 OK 26 80 - 32 - 2.4/1014=7, 2.4/1013=6...(9) H GLU 37 + HA PHE 45 OK 15 68 - 22 - 1027/3.0=5, 1036/3.0=4...(7) HE3 TRP 17 - HA PHE 45 poor 9 77 - 12 - 1036/3.0=2, 1027/3.0=2...(7) HZ PHE 106 - HA PHE 45 lone 3 68 - 5 - H GLU 37 - HA ILE 101 lone 3 57 - 5 - HE3 TRP 17 - HA ILE 101 lone 1 65 - 1 - HZ PHE 106 - HA ILE 101 lone 0 57 - 1 - Peak 1018 from cnoeabs.peaks (8.54, 4.22, 60.96 ppm; 3.74 A): 1 out of 6 assignments used, quality = 1.00: * H MET 46 + HA PHE 45 OK 100 100 - 100 - 3.6=100 H MET 46 - HA ILE 101 OK 29 92 - 32 - 3.0/1011=8, 6379=8...(7) H CYS 121 - HA PHE 45 OK 16 98 - 17 - 6371/2.8=6, 1040/4.8=5...(5) H GLN 111 - HA PHE 45 poor 9 89 - 10 - 6371/2.8=3, 1040/4.8=2...(4) H GLN 111 - HA ILE 101 lone 4 77 - 5 - H CYS 121 - HA ILE 101 lone 2 87 - 3 - Peak 1019 from cnoeabs.peaks (8.51, 4.22, 60.96 ppm; 3.76 A): 2 out of 4 assignments used, quality = 0.66: * H LYS 48 + HA PHE 45 OK 59 100 - 59 - 6432/3.6=28, 6431=12...(11) H LYS 48 + HA ILE 101 OK 16 92 - 17 - 6431=4, 4.6/6397=3...(6) H LEU 108 - HA PHE 45 lone 8 100 - 8 - 6392/3.6=4 H LEU 108 - HA ILE 101 lone 7 90 - 7 - 7270/3.8=2, 4.4/3324=2 Peak 1020 from cnoeabs.peaks (1.87, 4.22, 60.96 ppm; 3.14 A): 5 out of 16 assignments used, quality = 0.66: * HB2 LYS 48 + HA PHE 45 OK 29 100 - 29 - 3.8/1019=10, 1148=7...(8) HB3 LYS 48 + HA PHE 45 OK 27 96 - 28 - 3.8/1019=10, 1160=6...(8) HB2 LYS 36 + HA PHE 45 OK 19 99 - 19 - 1160=4, 671/3.1=2...(9) HB2 LYS 48 + HA ILE 101 OK 11 92 - 12 - 3.8/1019=3, 1148=3, 1.8/1160=2 HB3 LYS 48 + HA ILE 101 OK 10 85 - 12 - 3.8/1019=3, 1160=3, 1.8/1148=2 HB3 LYS 85 - HA PHE 45 poor 10 94 - 10 - 2594=2, 1.8/2582=1 HG LEU 69 - HA ILE 101 poor 9 77 - 12 - 2.1/9933=2, 2031/3.0=2 HG LEU 69 - HA PHE 45 lone 9 89 - 10 - ~9880=5, 2.1/9933=4 HB3 LYS 85 - HA ILE 101 lone 6 83 - 8 - 2594=1 HB2 LYS 36 - HA ILE 101 lone 2 89 - 2 - HB3 LYS 76 - HA PHE 45 lone 2 81 - 2 - HB3 LYS 76 - HA ILE 101 lone 2 69 - 2 - HB2 ARG 144 - HA PHE 45 lone 1 100 - 1 - HB2 ARG 144 - HA ILE 101 lone 1 90 - 1 - HB3 GLU 28 - HA ILE 101 lone 1 65 - 1 - HB3 GLU 28 - HA PHE 45 lone 0 77 - 1 - Peak 1021 from cnoeabs.peaks (1.87, 4.22, 60.96 ppm; 3.14 A): 6 out of 16 assignments used, quality = 0.70: * HB3 LYS 48 + HA PHE 45 OK 28 100 - 29 - 3.8/1019=10, 1160=6...(8) HB2 LYS 48 + HA PHE 45 OK 27 96 - 28 - 3.8/1019=10, 1148=6...(8) HB2 LYS 36 + HA PHE 45 OK 19 100 - 19 - 1160=4, 671/3.1=2...(9) HB3 LYS 48 + HA ILE 101 OK 11 92 - 12 - 3.8/1019=3, 1160=3, 1.8/1148=2 HB3 LYS 93 + HA ILE 101 OK 10 48 - 22 - 1.8/3023=3, 3035=2...(7) HB2 LYS 48 + HA ILE 101 OK 10 85 - 12 - 3.8/1019=3, 1148=3, 1.8/1160=2 HB3 LYS 85 - HA PHE 45 lone 7 72 - 9 - 2594=2, 1.8/2582=1 HG LEU 69 - HA PHE 45 lone 6 62 - 10 - ~9880=5, 2.1/9933=4 HB3 LYS 93 - HA PHE 45 lone 6 57 - 10 - 1.8/3023=1 HG LEU 69 - HA ILE 101 poor 6 52 - 11 - 2.1/9933=2, 3.0/3322=1 HB3 LYS 85 - HA ILE 101 lone 4 61 - 7 - HB2 LYS 36 - HA ILE 101 lone 2 91 - 2 - HB3 ARG 141 - HA ILE 101 lone 2 61 - 3 - HB2 ARG 144 - HA PHE 45 lone 1 100 - 1 - HB3 ARG 141 - HA PHE 45 lone 1 72 - 1 - HB2 ARG 144 - HA ILE 101 lone 1 90 - 1 - Peak 1022 from cnoeabs.peaks (3.45, 3.51, 38.81 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.94: * HA LEU 42 + HB2 PHE 45 OK 81 100 - 81 - 918=45, 919/1.8=34...(10) HB3 PHE 45 + HB2 PHE 45 OK 62 62 - 100 - 1.8=100 HB2 TYR 117 + HB2 PHE 45 OK 17 99 - 17 - ~3916=4, ~4666=4...(5) Peak 1023 from cnoeabs.peaks (8.80, 3.51, 38.81 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.5=100 Peak 1024 from cnoeabs.peaks (4.22, 3.51, 38.81 ppm; 4.40 A): 2 out of 7 assignments used, quality = 1.00: * HA PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.0=100 HA ILE 101 + HB2 PHE 45 OK 51 98 - 53 - 1014/1.8=12, 1013=11...(17) HA THR 102 - HB2 PHE 45 OK 24 99 - 24 - 1033/1.8=4, 6365/3.5=3...(10) HA LYS 85 - HB2 PHE 45 OK 15 96 - 16 - 1033/1.8=3, 6365/3.5=2...(9) HA LYS 93 - HB2 PHE 45 OK 15 100 - 15 - 6365/3.5=3, 1033/1.8=2...(4) HB THR 102 - HB2 PHE 45 OK 11 62 - 17 - ~1033=2, ~3379=2...(9) HA ALA 134 - HB2 PHE 45 lone 7 91 - 7 - 1033/1.8=1, 6379/4.4=1 Peak 1025 from cnoeabs.peaks (3.51, 3.51, 38.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 45 + HB2 PHE 45 OK 100 100 - 100 Peak 1026 from cnoeabs.peaks (3.46, 3.51, 38.81 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 1.8=100 HA LEU 42 - HB2 PHE 45 OK 40 67 - 59 - 918=24, 919/1.8=18...(10) HB2 TYR 117 - HB2 PHE 45 OK 15 81 - 19 - ~3916=4, ~4666=4...(7) Peak 1027 from cnoeabs.peaks (7.23, 3.51, 38.81 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.94: * QD PHE 45 + HB2 PHE 45 OK 91 91 - 100 - 2.4=100 H GLU 37 + HB2 PHE 45 OK 33 67 - 49 - 3.9/11225=24, 1036/1.8=9...(8) HE3 TRP 17 - HB2 PHE 45 OK 18 77 - 24 - 1036/1.8=5, ~5522=4...(8) HZ PHE 106 - HB2 PHE 45 lone 7 67 - 10 - 5589/5.8=2, 1036/1.8=2...(5) Peak 1031 from cnoeabs.peaks (3.45, 3.46, 38.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.62: HB3 PHE 45 + HB3 PHE 45 OK 62 62 - 100 Reference assignment not found: HA LEU 42 - HB3 PHE 45 Peak 1032 from cnoeabs.peaks (8.80, 3.46, 38.81 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.5=100 Peak 1033 from cnoeabs.peaks (4.22, 3.46, 38.81 ppm; 4.76 A): 2 out of 7 assignments used, quality = 1.00: * HA PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.0=100 HA ILE 101 + HB3 PHE 45 OK 56 98 - 58 - 1014=15, 1013/1.8=10...(17) HA THR 102 - HB3 PHE 45 OK 28 99 - 28 - 1024/1.8=5, 6365/3.5=4...(16) HA LYS 85 - HB3 PHE 45 OK 18 96 - 19 - 1024/1.8=3, 6365/3.5=2...(11) HA LYS 93 - HB3 PHE 45 OK 17 100 - 17 - 6365/3.5=3, 1024/1.8=3...(4) HB THR 102 - HB3 PHE 45 OK 13 62 - 21 - ~1024=3, ~1024=3...(10) HA ALA 134 - HB3 PHE 45 lone 9 91 - 10 - 11046/11047=2...(3) Peak 1034 from cnoeabs.peaks (3.51, 3.46, 38.81 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 1.8=100 HA2 GLY 77 - HB3 PHE 45 OK 36 100 - 36 - 5581/2.4=8, ~2344=8...(8) Peak 1035 from cnoeabs.peaks (3.46, 3.46, 38.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 45 + HB3 PHE 45 OK 100 100 - 100 Peak 1036 from cnoeabs.peaks (7.23, 3.46, 38.81 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.94: * QD PHE 45 + HB3 PHE 45 OK 91 91 - 100 - 2.4=100 H GLU 37 + HB3 PHE 45 OK 22 67 - 33 - 1027/1.8=10, 1015/3.0=6...(7) HE3 TRP 17 + HB3 PHE 45 OK 17 77 - 22 - 1027/1.8=5, ~5522=4...(8) HZ PHE 106 - HB3 PHE 45 lone 6 67 - 9 - 5589/5.8=2, 1027/1.8=2...(4) Peak 1040 from cnoeabs.peaks (8.54, 3.90, 57.09 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: * H MET 46 + HA MET 46 OK 100 100 - 100 - 2.9=100 H CYS 121 + HA MET 46 OK 53 98 - 55 - 7496/3.0=10, 1074/4.1=7...(15) H GLN 111 - HA MET 46 OK 19 89 - 21 - 1058/3.0=2, 3.3/7365=2...(11) Peak 1041 from cnoeabs.peaks (3.90, 3.90, 57.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 46 + HA MET 46 OK 100 100 - 100 Peak 1042 from cnoeabs.peaks (2.19, 3.90, 57.09 ppm; 4.30 A): 2 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HA MET 46 OK 100 100 - 100 - 3.0=100 HB2 MET 113 + HA MET 46 OK 47 100 - 47 - 4.7/10681=7, 1060/3.0=6...(17) HB3 PRO 57 - HA MET 46 OK 44 81 - 54 - 10587/2.9=6, 1060/3.0=6...(23) HG2 GLU 75 - HA MET 46 OK 33 100 - 33 - 1060/3.0=5, 1084/5.2=4...(13) HB3 LYS 86 - HA MET 46 OK 16 68 - 23 - 2.9/11506=4, 1060/3.0=2...(9) Peak 1043 from cnoeabs.peaks (2.72, 3.90, 57.09 ppm; 5.14 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + HA MET 46 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HA MET 46 OK 58 98 - 59 - 4.6/1040=10, 1052/3.0=7...(17) HB3 CYS 121 + HA MET 46 OK 50 81 - 62 - 4.1/1040=11, 4052/2.9=9...(14) HB3 TYR 70 - HA MET 46 OK 29 92 - 32 - ~2065=4, 1052/3.0=4...(13) HB2 ASN 84 - HA MET 46 OK 22 98 - 22 - ~2564=3, 1052/3.0=3...(10) HB2 PHE 38 - HA MET 46 OK 21 92 - 23 - 1052/3.0=3, 1069/4.1=2...(12) Peak 1044 from cnoeabs.peaks (2.39, 3.90, 57.09 ppm; 4.75 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 46 + HA MET 46 OK 100 100 - 100 - 4.1=100 HB ILE 91 + HA MET 46 OK 51 100 - 51 - 1086/5.2=8, 6388/2.9=8...(13) HG3 MET 59 - HA MET 46 OK 35 100 - 35 - 1062/3.0=5, 1053/3.0=4...(11) HG2 MET 59 - HA MET 46 OK 35 98 - 35 - 1062/3.0=5, 1053/3.0=4...(12) HG2 GLN 25 - HA MET 46 OK 34 100 - 34 - 1053/3.0=4, 1062/3.0=4...(13) HG3 MET 11 - HA MET 46 OK 21 72 - 29 - ~9763=8, ~10664=7...(8) HG3 GLU 37 - HA MET 46 OK 21 98 - 21 - 4.4/10682=11, 6388/2.9=2...(7) HG3 GLN 25 - HA MET 46 OK 16 72 - 22 - 1062/3.0=3, ~1053=3...(9) Peak 1045 from cnoeabs.peaks (3.22, 3.90, 57.09 ppm; 6.20 A): 1 out of 7 assignments used, quality = 1.00: * HG3 MET 46 + HA MET 46 OK 100 100 - 100 - 4.1=100 HD3 ARG 140 - HA MET 46 OK 30 100 - 30 - 6403/3.6=9, 1071/4.1=6...(10) HB3 TYR 117 - HA MET 46 OK 29 100 - 29 - 1087/5.2=6, ~6374=6...(7) HD2 ARG 140 - HA MET 46 OK 28 94 - 29 - 8175/3.6=9, ~9795=6...(9) HD3 ARG 124 - HA MET 46 OK 16 100 - 16 - 10523/10389=5...(5) HD3 ARG 141 - HA MET 46 poor 10 85 - 11 - 6403/3.6=2, ~9795=2...(5) HD2 ARG 141 - HA MET 46 poor 7 68 - 10 - 3.0/11505=2, ~9795=1...(5) Peak 1046 from cnoeabs.peaks (2.42, 3.90, 57.09 ppm; 4.62 A): 4 out of 7 assignments used, quality = 0.99: * QE MET 46 + HA MET 46 OK 94 100 - 94 - 5.2=68, 1082/2.9=34...(15) HB3 PRO 118 + HA MET 46 OK 49 100 - 49 - ~9415=14, ~9415=10...(11) HG3 GLN 47 + HA MET 46 OK 48 92 - 53 - 4.9/6433=13, 6404/3.6=10...(13) HG2 GLN 47 + HA MET 46 OK 48 92 - 53 - 4.9/6433=13, 6404/3.6=10...(13) HG3 GLN 133 - HA MET 46 OK 33 100 - 33 - 6404/3.6=5, 6390/2.9=4...(11) HG2 GLN 133 - HA MET 46 OK 32 99 - 32 - 6404/3.6=5, 6390/2.9=4...(11) HG2 MET 68 - HA MET 46 lone 4 72 - 6 - Peak 1047 from cnoeabs.peaks (7.99, 3.90, 57.09 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + HA MET 46 OK 100 100 - 100 - 3.6=100 H VAL 73 - HA MET 46 OK 20 96 - 21 - 6391/2.9=5, 9922/10993=4...(6) H ARG 140 - HA MET 46 OK 13 100 - 13 - 6391/2.9=3, 6.0/1045=2...(6) H ALA 104 - HA MET 46 lone 8 92 - 9 - 6391/2.9=2, 9206/4.8=2...(4) Peak 1051 from cnoeabs.peaks (2.19, 2.19, 31.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 46 + HB2 MET 46 OK 100 100 - 100 Peak 1052 from cnoeabs.peaks (2.72, 2.19, 31.86 ppm; 4.76 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + HB2 MET 46 OK 100 100 - 100 - 1.8=100 HB3 GLU 120 + HB2 MET 46 OK 53 98 - 54 - 4.6/10705=8, ~4017=8...(18) HB3 CYS 121 - HB2 MET 46 OK 43 81 - 53 - 4.1/10705=8, ~4050=7...(13) HB3 TYR 70 - HB2 MET 46 OK 27 92 - 29 - ~2065=4, 1043/3.0=4...(12) HB2 ASN 84 - HB2 MET 46 OK 22 98 - 22 - ~2564=4, ~2548=3...(10) HB2 PHE 38 - HB2 MET 46 OK 22 92 - 23 - 1077/3.0=3, 1069/3.0=2...(12) Peak 1053 from cnoeabs.peaks (2.39, 2.19, 31.86 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 46 + HB2 MET 46 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB2 MET 46 OK 59 100 - 59 - 1086/4.2=8, 1078/3.0=7...(23) HG2 GLN 25 - HB2 MET 46 OK 34 100 - 34 - 223/3.0=4, 1062/1.8=4...(16) HG3 MET 59 - HB2 MET 46 OK 34 100 - 34 - 1062/1.8=4, 1044/3.0=3...(12) HG2 MET 59 - HB2 MET 46 OK 33 98 - 34 - 1062/1.8=4, 1044/3.0=3...(12) HG3 MET 11 - HB2 MET 46 OK 19 72 - 26 - 3.3/10664=11, ~9763=7...(5) HG3 GLN 25 - HB2 MET 46 OK 19 72 - 25 - 1062/1.8=3, ~1062=3...(11) HG3 GLU 37 - HB2 MET 46 lone 10 98 - 10 - 1062/1.8=1, 1044/3.0=1...(4) Peak 1055 from cnoeabs.peaks (2.42, 2.19, 31.86 ppm; 4.20 A): 2 out of 7 assignments used, quality = 1.00: * QE MET 46 + HB2 MET 46 OK 100 100 - 100 - 4.2=100 HB3 PRO 118 + HB2 MET 46 OK 52 100 - 52 - ~9415=15, ~9415=10...(17) HG3 GLN 47 - HB2 MET 46 OK 44 92 - 48 - 4.9/6400=12, 6390/4.0=6...(14) HG2 GLN 47 - HB2 MET 46 OK 44 92 - 48 - 4.9/6400=12, 6390/4.0=6...(14) HG3 GLN 133 - HB2 MET 46 OK 32 100 - 32 - 1064/1.8=4, 6404/4.6=3...(14) HG2 GLN 133 - HB2 MET 46 OK 32 99 - 32 - 1064/1.8=4, 6404/4.6=3...(14) HG2 MET 68 - HB2 MET 46 lone 4 72 - 6 - Peak 1058 from cnoeabs.peaks (8.54, 2.72, 31.86 ppm; 5.54 A): 2 out of 3 assignments used, quality = 1.00: * H MET 46 + HB3 MET 46 OK 100 100 - 100 - 4.0=100 H CYS 121 + HB3 MET 46 OK 78 98 - 80 - 10705/1.8=15...(18) H GLN 111 - HB3 MET 46 OK 25 89 - 27 - 1040/3.0=5, 10705/1.8=5...(8) Peak 1059 from cnoeabs.peaks (3.90, 2.72, 31.86 ppm; 5.84 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 46 + HB3 MET 46 OK 100 100 - 100 - 3.0=100 HD3 PRO 98 + HB3 MET 46 OK 79 100 - 79 - 6385/4.0=14, 6399/4.6=14...(17) HA TYR 112 - HB3 MET 46 OK 27 81 - 33 - 10223/9374=6, 1083/4.2=5...(10) Peak 1060 from cnoeabs.peaks (2.19, 2.72, 31.86 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HB3 MET 46 OK 100 100 - 100 - 1.8=100 HB3 PRO 57 + HB3 MET 46 OK 51 81 - 63 - 1068/3.0=6, 1042/3.0=6...(25) HB2 MET 113 + HB3 MET 46 OK 51 100 - 51 - 1042/3.0=6, ~3700=6...(15) HG2 GLU 75 - HB3 MET 46 OK 41 100 - 41 - 1084/4.2=6, 1068/3.0=5...(13) HB3 LYS 86 - HB3 MET 46 OK 17 68 - 24 - 1042/3.0=3, 1076/3.0=2...(13) Peak 1061 from cnoeabs.peaks (2.72, 2.72, 31.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 46 + HB3 MET 46 OK 100 100 - 100 Peak 1062 from cnoeabs.peaks (2.39, 2.72, 31.86 ppm; 4.31 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 46 + HB3 MET 46 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB3 MET 46 OK 68 100 - 68 - 1086/4.2=9, 1053/1.8=8...(24) HG3 MET 59 - HB3 MET 46 OK 39 100 - 39 - 1053/1.8=5, 1044/3.0=4...(16) HG2 GLN 25 - HB3 MET 46 OK 38 100 - 38 - 1053/1.8=5, 223/3.0=4...(17) HG2 MET 59 - HB3 MET 46 OK 38 98 - 38 - 1053/1.8=5, 1044/3.0=4...(16) HG3 MET 11 - HB3 MET 46 OK 23 72 - 32 - 3.3/9763=10, ~10664=9...(7) HG3 GLN 25 - HB3 MET 46 OK 22 72 - 31 - ~1053=3, 1078/3.0=3...(15) HG3 GLU 37 - HB3 MET 46 OK 16 98 - 16 - 3.8/2439=4, 4.4/8105=3...(6) Peak 1064 from cnoeabs.peaks (2.42, 2.72, 31.86 ppm; 4.35 A): 4 out of 7 assignments used, quality = 1.00: * QE MET 46 + HB3 MET 46 OK 100 100 - 100 - 4.2=100 HB3 PRO 118 + HB3 MET 46 OK 53 100 - 53 - 2.3/9415=21, 1072/3.0=7...(18) HG3 GLN 47 + HB3 MET 46 OK 45 92 - 49 - 4.9/6401=11, 6390/4.0=6...(14) HG2 GLN 47 + HB3 MET 46 OK 45 92 - 49 - 4.9/6401=11, 6390/4.0=6...(14) HG3 GLN 133 - HB3 MET 46 OK 35 100 - 35 - 1055/1.8=4, 6404/4.6=3...(15) HG2 GLN 133 - HB3 MET 46 OK 34 99 - 34 - 1055/1.8=4, 6404/4.6=3...(15) HG2 MET 68 - HB3 MET 46 lone 4 72 - 6 - Peak 1066 from cnoeabs.peaks (8.54, 2.39, 34.70 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.99: * H MET 46 + HG2 MET 46 OK 97 100 - 97 - 5.1=78, 1082/3.3=33...(24) H CYS 121 + HG2 MET 46 OK 62 98 - 63 - 1074/1.8=14, 1082/3.3=12...(15) H GLN 111 - HG2 MET 46 OK 17 89 - 19 - 1082/3.3=4, 1074/1.8=4...(5) Peak 1067 from cnoeabs.peaks (3.90, 2.39, 34.70 ppm; 6.39 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 46 + HG2 MET 46 OK 100 100 - 100 - 4.1=100 HD3 PRO 98 + HG2 MET 46 OK 63 100 - 63 - 2.3/10715=21...(9) HA TYR 112 - HG2 MET 46 OK 23 81 - 28 - 1083/3.3=6, 1075/1.8=6...(7) Peak 1068 from cnoeabs.peaks (2.19, 2.39, 34.70 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HG2 MET 46 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 - HG2 MET 46 OK 44 81 - 54 - 1060/3.0=6, 1053=5...(23) HB2 MET 113 - HG2 MET 46 OK 38 100 - 38 - 1060/3.0=5, 1076/1.8=5...(13) HG2 GLU 75 - HG2 MET 46 OK 36 100 - 36 - ~10689=7, 1084/3.3=7...(13) HB3 LYS 86 - HG2 MET 46 OK 12 68 - 17 - 1084/3.3=2, 1042/4.1=2...(5) Peak 1069 from cnoeabs.peaks (2.72, 2.39, 34.70 ppm; 5.55 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + HG2 MET 46 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HG2 MET 46 OK 59 98 - 60 - 4.6/1066=11, 1077/1.8=9...(17) HB3 CYS 121 + HG2 MET 46 OK 50 81 - 62 - 4.1/1066=12, ~11508=8...(15) HB3 TYR 70 - HG2 MET 46 OK 32 92 - 35 - 1077/1.8=5, ~2065=4...(12) HB2 PHE 38 - HG2 MET 46 OK 28 92 - 30 - 3.2/6242=4, 1077/1.8=4...(12) HB2 ASN 84 - HG2 MET 46 OK 26 98 - 26 - 1077/1.8=4, ~2564=4...(9) Peak 1070 from cnoeabs.peaks (2.39, 2.39, 34.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 46 + HG2 MET 46 OK 100 100 - 100 Peak 1071 from cnoeabs.peaks (3.22, 2.39, 34.70 ppm; 4.14 A): 1 out of 7 assignments used, quality = 1.00: * HG3 MET 46 + HG2 MET 46 OK 100 100 - 100 - 1.8=100 HD3 ARG 140 - HG2 MET 46 OK 22 100 - 22 - 1087/3.3=3, 9795/5.1=2...(7) HB3 TYR 117 - HG2 MET 46 OK 22 100 - 22 - 1087/3.3=5, ~3911=4...(8) HD2 ARG 140 - HG2 MET 46 OK 20 94 - 21 - 1087/3.3=3, ~1087=2...(6) HD3 ARG 124 - HG2 MET 46 lone 9 100 - 9 - 1087/3.3=1 HD3 ARG 141 - HG2 MET 46 lone 3 85 - 4 - HD2 ARG 141 - HG2 MET 46 lone 3 68 - 4 - Peak 1072 from cnoeabs.peaks (2.42, 2.39, 34.70 ppm; 3.30 A): 1 out of 7 assignments used, quality = 1.00: * QE MET 46 + HG2 MET 46 OK 100 100 - 100 - 3.3=100 HB3 PRO 118 - HG2 MET 46 OK 40 100 - 40 - ~9415=6, 1080/1.8=5...(16) HG3 GLN 47 - HG2 MET 46 OK 27 92 - 29 - 4.9/6402=7, 1080/1.8=3...(12) HG2 GLN 47 - HG2 MET 46 OK 27 92 - 29 - 4.9/6402=7, 1080/1.8=3...(12) HG3 GLN 133 - HG2 MET 46 OK 18 100 - 18 - 1080/1.8=2, 1055/3.0=2...(10) HG2 GLN 133 - HG2 MET 46 OK 17 99 - 18 - 1080/1.8=2, 1055/3.0=2...(10) HG2 MET 68 - HG2 MET 46 lone 3 72 - 4 - Peak 1074 from cnoeabs.peaks (8.54, 3.22, 34.70 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.98: * H MET 46 + HG3 MET 46 OK 96 100 - 96 - 5.1=74, 1082/3.3=32...(23) H CYS 121 + HG3 MET 46 OK 60 98 - 61 - 1066/1.8=13, 1082/3.3=11...(14) H GLN 111 - HG3 MET 46 OK 15 88 - 17 - 1066/1.8=4, 1082/3.3=4...(5) Peak 1075 from cnoeabs.peaks (3.90, 3.22, 34.70 ppm; 5.82 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 46 + HG3 MET 46 OK 100 100 - 100 - 4.1=100 HD3 PRO 98 + HG3 MET 46 OK 53 99 - 54 - ~10715=16, 1059/3.0=14...(7) HA TYR 112 - HG3 MET 46 OK 22 81 - 27 - 1083/3.3=6, 1059/3.0=5...(9) Peak 1076 from cnoeabs.peaks (2.19, 3.22, 34.70 ppm; 5.26 A): 4 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HG3 MET 46 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HG3 MET 46 OK 55 81 - 69 - 1068/1.8=9, 1060/3.0=8...(25) HB2 MET 113 + HG3 MET 46 OK 55 100 - 55 - 1068/1.8=8, 1060/3.0=8...(14) HG2 GLU 75 + HG3 MET 46 OK 53 99 - 53 - ~10689=13, 1084/3.3=9...(16) HB3 LYS 86 - HG3 MET 46 OK 17 67 - 25 - 1042/4.1=3, 1084/3.3=3...(12) Peak 1077 from cnoeabs.peaks (2.72, 3.22, 34.70 ppm; 5.25 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + HG3 MET 46 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HG3 MET 46 OK 54 98 - 56 - 4.6/1074=10, 1052/3.0=8...(15) HB3 CYS 121 + HG3 MET 46 OK 47 81 - 59 - 4.1/1074=11, 3.0/11508=9...(15) HB3 TYR 70 - HG3 MET 46 OK 29 91 - 32 - 1069/1.8=4, ~2065=4...(13) HB2 PHE 38 - HG3 MET 46 OK 25 91 - 27 - 1069/1.8=4, 1052/3.0=3...(13) HB2 ASN 84 - HG3 MET 46 OK 23 98 - 24 - 1069/1.8=3, ~2564=3...(9) Peak 1078 from cnoeabs.peaks (2.39, 3.22, 34.70 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 46 + HG3 MET 46 OK 100 100 - 100 - 1.8=100 HB ILE 91 + HG3 MET 46 OK 70 100 - 70 - ~10700=10, 1086/3.3=10...(28) HG2 GLN 25 - HG3 MET 46 OK 34 100 - 34 - 223/1.8=5, 1086/3.3=4...(19) HG3 MET 59 - HG3 MET 46 OK 30 100 - 30 - 1053/3.0=3, 1062/3.0=3...(15) HG2 MET 59 - HG3 MET 46 OK 30 98 - 30 - 1053/3.0=3, 1062/3.0=3...(15) HG3 GLN 25 - HG3 MET 46 OK 20 72 - 28 - ~223=3, 1086/3.3=3...(15) HG3 MET 11 - HG3 MET 46 OK 14 72 - 19 - ~9763=4, ~10664=4...(7) HG3 GLU 37 - HG3 MET 46 OK 13 98 - 13 - 4.4/8172=6, 1062/3.0=1 Peak 1079 from cnoeabs.peaks (3.22, 3.22, 34.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 46 + HG3 MET 46 OK 100 100 - 100 Peak 1080 from cnoeabs.peaks (2.42, 3.22, 34.70 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: * QE MET 46 + HG3 MET 46 OK 100 100 - 100 - 3.3=100 HB3 PRO 118 + HG3 MET 46 OK 48 100 - 48 - ~9415=9, 1072/1.8=8...(18) HG3 GLN 47 - HG3 MET 46 OK 34 91 - 37 - 4.9/6403=6, 1072/1.8=5...(12) HG2 GLN 47 - HG3 MET 46 OK 34 91 - 37 - 4.9/6403=6, 1072/1.8=5...(12) HG3 GLN 133 - HG3 MET 46 OK 24 99 - 24 - 1072/1.8=3, 1064/3.0=3...(11) HG2 GLN 133 - HG3 MET 46 OK 23 99 - 23 - 1072/1.8=3, 1055/3.0=3...(11) HG2 MET 68 - HG3 MET 46 lone 4 72 - 5 - Peak 1082 from cnoeabs.peaks (8.54, 2.42, 18.74 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.93: * H MET 46 + QE MET 46 OK 84 100 - 84 - 5.9=33, 2.9/1083=23...(19) H CYS 121 + QE MET 46 OK 48 98 - 49 - 1074/3.3=8, 1066/3.3=8...(12) H GLN 111 + QE MET 46 OK 15 89 - 17 - 1066/3.3=2, 1074/3.3=2...(8) Peak 1083 from cnoeabs.peaks (3.90, 2.42, 18.74 ppm; 4.18 A): 3 out of 3 assignments used, quality = 0.93: * HA MET 46 + QE MET 46 OK 88 100 - 88 - 5.2=51, 2.9/1082=28...(13) HD3 PRO 98 + QE MET 46 OK 29 100 - 29 - ~10715=6, 1059/4.2=6...(8) HA TYR 112 + QE MET 46 OK 18 81 - 22 - 7415/10479=4, 1075/3.3=2...(10) Peak 1084 from cnoeabs.peaks (2.19, 2.42, 18.74 ppm; 3.50 A): 4 out of 5 assignments used, quality = 0.93: * HB2 MET 46 + QE MET 46 OK 84 100 - 84 - 4.2=59, 1.8/1085=22...(8) HG2 GLU 75 + QE MET 46 OK 31 100 - 31 - 3.0/10689=14...(8) HB3 PRO 57 + QE MET 46 OK 21 81 - 26 - 1068/3.3=4, 1.8/10490=3...(9) HB2 MET 113 + QE MET 46 OK 15 100 - 15 - 1068/3.3=3, 1060/4.2=3...(5) HB3 LYS 86 - QE MET 46 lone 6 68 - 10 - 4.6/10479=2...(4) Peak 1085 from cnoeabs.peaks (2.72, 2.42, 18.74 ppm; 3.44 A): 3 out of 6 assignments used, quality = 0.87: * HB3 MET 46 + QE MET 46 OK 81 100 - 81 - 4.2=56, 1.8/1084=19...(7) HB3 CYS 121 + QE MET 46 OK 17 81 - 21 - 4.1/1082=5, 3.0/10486=3...(9) HB3 GLU 120 + QE MET 46 OK 16 98 - 16 - 4.6/1082=5, 1052/4.2=3...(6) HB2 PHE 38 - QE MET 46 lone 8 92 - 8 - 1077/3.3=1, 1069/3.3=1 HB3 TYR 70 - QE MET 46 lone 7 92 - 8 - 1077/3.3=1, 1052/4.2=1...(4) HB2 ASN 84 - QE MET 46 lone 7 98 - 7 - 1052/4.2=1, 1077/3.3=1 Peak 1086 from cnoeabs.peaks (2.39, 2.42, 18.74 ppm; 2.50 A): 3 out of 8 assignments used, quality = 0.78: * HG2 MET 46 + QE MET 46 OK 60 100 - 60 - 3.3=44, 3.0/1085=8...(6) HB ILE 91 + QE MET 46 OK 37 100 - 37 - 2.1/10700=10...(12) HG2 GLN 25 + QE MET 46 OK 14 100 - 14 - 2.9/10489=3...(5) HG3 MET 59 - QE MET 46 lone 9 100 - 9 - 1078/3.3=1 HG2 MET 59 - QE MET 46 lone 9 98 - 9 - 1078/3.3=1 HG3 GLN 25 - QE MET 46 poor 8 72 - 11 - 2.9/10489=3, 3.9/10485=1 HG3 GLU 37 - QE MET 46 lone 3 98 - 3 - HG3 MET 11 - QE MET 46 lone 2 72 - 3 - Peak 1087 from cnoeabs.peaks (3.22, 2.42, 18.74 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * HG3 MET 46 + QE MET 46 OK 100 100 - 100 - 3.3=100 HB3 TYR 117 - QE MET 46 OK 26 100 - 26 - 3.9/10478=7, 2.7/8171=7...(9) HD3 ARG 140 - QE MET 46 OK 16 100 - 16 - 1071/3.3=3, 2.9/10490=2...(7) HD2 ARG 140 - QE MET 46 OK 14 94 - 15 - 1071/3.3=2, 2.9/10490=2...(6) HD3 ARG 124 - QE MET 46 lone 7 100 - 6 - 1071/3.3=1, 3.0/10490=1 HD3 ARG 141 - QE MET 46 lone 2 85 - 3 - HD2 ARG 141 - QE MET 46 lone 2 68 - 3 - Peak 1088 from cnoeabs.peaks (2.42, 2.42, 18.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 46 + QE MET 46 OK 100 100 - 100 Peak 1090 from cnoeabs.peaks (7.99, 3.80, 59.57 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + HA GLN 47 OK 100 100 - 100 - 2.9=100 H ARG 140 - HA GLN 47 OK 21 100 - 21 - 4.0/10473=6, 1100/2.9=4...(6) H ALA 104 - HA GLN 47 OK 12 92 - 13 - 1100/2.9=3, 1110/2.9=3 H VAL 73 - HA GLN 47 OK 11 96 - 11 - 1100/2.9=2, 1110/2.9=2...(4) Peak 1091 from cnoeabs.peaks (3.80, 3.80, 59.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + HA GLN 47 OK 100 100 - 100 Peak 1092 from cnoeabs.peaks (2.36, 3.80, 59.57 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 47 + HA GLN 47 OK 100 100 - 100 - 2.9=100 HB2 PRO 98 + HA GLN 47 OK 50 81 - 62 - 1112/2.9=9, 2.3/10472=9...(26) HE2 LYS 123 - HA GLN 47 OK 24 96 - 25 - 1112/2.9=4, 6406/2.9=3...(14) Peak 1093 from cnoeabs.peaks (2.33, 3.80, 59.57 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 47 + HA GLN 47 OK 100 100 - 100 - 2.9=100 HB2 PRO 98 + HA GLN 47 OK 53 81 - 65 - 1103/2.9=10, 2.3/10472=9...(25) HG2 GLU 142 - HA GLN 47 lone 6 77 - 8 - 1103/2.9=1 Peak 1094 from cnoeabs.peaks (2.42, 3.80, 59.57 ppm; 3.19 A): 4 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=68, 1.8/1129=12...(30) HG3 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=68, 1.8/1129=12...(30) HG2 GLN 133 + HA GLN 47 OK 49 99 - 50 - 1129=8, 1.8/1129=6...(30) HG3 GLN 133 + HA GLN 47 OK 49 98 - 50 - 1129=8, 1.8/1129=6...(29) QE MET 46 - HA GLN 47 OK 16 92 - 17 - 6404/2.9=5, ~6402=3...(6) HB3 PRO 33 - HA GLN 47 OK 14 89 - 16 - 3.0/8174=4, ~10678=3...(6) HB3 PRO 118 - HA GLN 47 lone 8 94 - 8 - 6404/2.9=1, ~10981=1, 3.0/8174=1 HG2 MET 68 - HA GLN 47 lone 5 98 - 5 - 3.3/10675=2 HG2 MET 11 - HA GLN 47 lone 2 62 - 3 - Peak 1095 from cnoeabs.peaks (2.42, 3.80, 59.57 ppm; 3.19 A): 4 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=68, 1.8/1129=12...(30) * HG3 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=68, 1.8/1129=12...(30) HG2 GLN 133 + HA GLN 47 OK 49 99 - 50 - 1129=8, 1.8/1129=6...(30) HG3 GLN 133 + HA GLN 47 OK 49 98 - 50 - 1129=8, 1.8/1129=6...(29) QE MET 46 - HA GLN 47 OK 16 92 - 17 - 6404/2.9=5, ~6402=3...(6) HB3 PRO 33 - HA GLN 47 OK 14 89 - 16 - 3.0/8174=4, ~10678=3...(6) HB3 PRO 118 - HA GLN 47 lone 8 94 - 8 - 6404/2.9=1, ~10981=1, 3.0/8174=1 HG2 MET 68 - HA GLN 47 lone 5 98 - 5 - 3.3/10675=2 HG2 MET 11 - HA GLN 47 lone 2 62 - 3 - Peak 1098 from cnoeabs.peaks (8.51, 3.80, 59.57 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 48 + HA GLN 47 OK 100 100 - 100 - 3.6=100 H LEU 108 - HA GLN 47 OK 26 100 - 26 - 6412/2.9=8, 1118/2.9=7...(5) Peak 1099 from cnoeabs.peaks (4.47, 2.36, 28.08 ppm; 4.59 A): 3 out of 5 assignments used, quality = 0.94: * HA SER 44 + HB2 GLN 47 OK 90 100 - 90 - 997=44, 998/1.8=41...(11) HA SER 103 + HB2 GLN 47 OK 28 100 - 28 - 1109/1.8=7, 6430/4.7=6...(8) HA ASP 137 + HB2 GLN 47 OK 16 94 - 17 - 6395/4.0=4, 1109/1.8=4...(7) HA ASP 41 - HB2 GLN 47 poor 10 85 - 12 - 1109/1.8=3, 6430/4.7=2...(5) HA3 GLY 31 - HB2 GLN 47 lone 6 100 - 6 - 1109/1.8=2, 6395/4.0=1 Peak 1100 from cnoeabs.peaks (7.99, 2.36, 28.08 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.96: * H GLN 47 + HB2 GLN 47 OK 96 100 - 96 - 4.0=86, 6407/1.8=32...(17) H ARG 140 - HB2 GLN 47 OK 18 100 - 18 - 1110/1.8=5, 1090/2.9=4...(7) H ALA 104 - HB2 GLN 47 OK 15 92 - 16 - 1110/1.8=4, 3.6/1099=4...(7) H VAL 73 - HB2 GLN 47 lone 9 96 - 10 - 1110/1.8=2, 1090/2.9=2 Peak 1101 from cnoeabs.peaks (3.80, 2.36, 28.08 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 2.9=100 HA TYR 27 - HB2 GLN 47 OK 22 92 - 24 - 1111/1.8=7, 6405/4.0=4...(9) Peak 1102 from cnoeabs.peaks (2.36, 2.36, 28.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 Peak 1103 from cnoeabs.peaks (2.33, 2.36, 28.08 ppm; 3.06 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 1.8=100 HB2 PRO 98 + HB2 GLN 47 OK 50 81 - 62 - 1093/2.9=7, 2.3/10678=6...(28) HG2 GLU 142 - HB2 GLN 47 lone 6 77 - 7 - Peak 1104 from cnoeabs.peaks (2.42, 2.36, 28.08 ppm; 2.92 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HB2 GLN 47 OK 98 100 - 98 - 3.0=93, 1122/1.8=12...(26) HG3 GLN 47 + HB2 GLN 47 OK 98 100 - 98 - 3.0=93, 1122/1.8=12...(26) HG2 GLN 133 - HB2 GLN 47 OK 44 99 - 45 - 1130=5, 1114/1.8=4...(22) HG3 GLN 133 - HB2 GLN 47 OK 44 98 - 45 - 1121=5, 1115/1.8=4...(22) HB3 PRO 33 - HB2 GLN 47 OK 18 89 - 21 - 1.8/10678=4, 1114/1.8=2...(5) HB3 PRO 118 - HB2 GLN 47 OK 10 94 - 11 - 1115/1.8=1, 3.0/10981=1 QE MET 46 - HB2 GLN 47 lone 8 92 - 9 - 6404/4.0=3, 1094/2.9=1 HG2 MET 68 - HB2 GLN 47 lone 5 98 - 5 - HG2 MET 11 - HB2 GLN 47 lone 3 62 - 4 - Peak 1105 from cnoeabs.peaks (2.42, 2.36, 28.08 ppm; 2.92 A): 2 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HB2 GLN 47 OK 98 100 - 98 - 3.0=93, 1122/1.8=12...(26) * HG3 GLN 47 + HB2 GLN 47 OK 98 100 - 98 - 3.0=93, 1122/1.8=12...(26) HG2 GLN 133 - HB2 GLN 47 OK 44 99 - 45 - 1130=5, 1114/1.8=4...(22) HG3 GLN 133 - HB2 GLN 47 OK 44 98 - 45 - 1121=5, 1115/1.8=4...(22) HB3 PRO 33 - HB2 GLN 47 OK 18 89 - 21 - 1.8/10678=4, 1114/1.8=2...(5) HB3 PRO 118 - HB2 GLN 47 OK 10 94 - 11 - 1115/1.8=1, 3.0/10981=1 QE MET 46 - HB2 GLN 47 lone 8 92 - 9 - 6404/4.0=3, 1094/2.9=1 HG2 MET 68 - HB2 GLN 47 lone 5 98 - 5 - HG2 MET 11 - HB2 GLN 47 lone 3 62 - 4 - Peak 1108 from cnoeabs.peaks (8.51, 2.36, 28.08 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.93: * H LYS 48 + HB2 GLN 47 OK 90 100 - 90 - 4.7=69, 6437/1.8=35...(10) H LEU 108 + HB2 GLN 47 OK 24 100 - 24 - 1118/1.8=8, 1098/2.9=6...(5) Peak 1109 from cnoeabs.peaks (4.47, 2.33, 28.08 ppm; 4.99 A): 2 out of 5 assignments used, quality = 0.95: * HA SER 44 + HB3 GLN 47 OK 92 100 - 92 - 998=45, 997/1.8=44...(10) HA SER 103 + HB3 GLN 47 OK 31 100 - 32 - 1099/1.8=8, 6430/4.7=7...(8) HA ASP 137 - HB3 GLN 47 OK 17 94 - 19 - 1099/1.8=5, 6395/4.0=5...(7) HA ASP 41 - HB3 GLN 47 OK 12 85 - 14 - 1099/1.8=3, 6430/4.7=2...(5) HA3 GLY 31 - HB3 GLN 47 lone 7 100 - 7 - 1099/1.8=2, 6395/4.0=1 Peak 1110 from cnoeabs.peaks (7.99, 2.33, 28.08 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.97: * H GLN 47 + HB3 GLN 47 OK 97 100 - 97 - 4.0=88, 6406/1.8=30...(17) H ARG 140 - HB3 GLN 47 OK 17 100 - 17 - 1100/1.8=5, 1090/2.9=4...(7) H ALA 104 - HB3 GLN 47 OK 15 92 - 17 - 1100/1.8=4, 3.6/1109=4...(7) H VAL 73 - HB3 GLN 47 lone 9 96 - 9 - 1100/1.8=3, 1090/2.9=2 Peak 1111 from cnoeabs.peaks (3.80, 2.33, 28.08 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 2.9=100 HA TYR 27 - HB3 GLN 47 OK 23 92 - 25 - 1101/1.8=7, 6405/4.0=4...(9) Peak 1112 from cnoeabs.peaks (2.36, 2.33, 28.08 ppm; 3.04 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 1.8=100 HB2 PRO 98 + HB3 GLN 47 OK 51 81 - 63 - 1092/2.9=6, 1.8/3267=6...(31) HE2 LYS 123 - HB3 GLN 47 OK 25 96 - 26 - 1092/2.9=3, ~4192=3...(16) Peak 1113 from cnoeabs.peaks (2.33, 2.33, 28.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 Peak 1114 from cnoeabs.peaks (2.42, 2.33, 28.08 ppm; 2.94 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HB3 GLN 47 OK 99 100 - 99 - 3.0=95, 1.8/1122=12...(28) HG3 GLN 47 + HB3 GLN 47 OK 99 100 - 99 - 3.0=95, 1.8/1122=12...(28) HG2 GLN 133 - HB3 GLN 47 OK 45 99 - 45 - 1122=5, 1105/1.8=5...(23) HG3 GLN 133 - HB3 GLN 47 OK 44 98 - 46 - 1122=5, 1105/1.8=4...(22) HB3 PRO 33 - HB3 GLN 47 OK 19 89 - 21 - ~10678=3, 1104/1.8=2...(5) HB3 PRO 118 - HB3 GLN 47 OK 11 94 - 11 - 1104/1.8=1, ~10981=1 QE MET 46 - HB3 GLN 47 lone 8 92 - 9 - 6404/4.0=3, 1094/2.9=1 HG2 MET 68 - HB3 GLN 47 lone 5 98 - 5 - HG2 MET 11 - HB3 GLN 47 lone 2 62 - 4 - Peak 1115 from cnoeabs.peaks (2.42, 2.33, 28.08 ppm; 2.94 A): 2 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HB3 GLN 47 OK 99 100 - 99 - 3.0=95, 1.8/1122=12...(28) * HG3 GLN 47 + HB3 GLN 47 OK 99 100 - 99 - 3.0=95, 1.8/1122=12...(28) HG2 GLN 133 - HB3 GLN 47 OK 45 99 - 45 - 1122=5, 1105/1.8=5...(23) HG3 GLN 133 - HB3 GLN 47 OK 44 98 - 46 - 1122=5, 1105/1.8=4...(22) HB3 PRO 33 - HB3 GLN 47 OK 19 89 - 21 - ~10678=3, 1104/1.8=2...(5) HB3 PRO 118 - HB3 GLN 47 OK 11 94 - 11 - 1104/1.8=1, ~10981=1 QE MET 46 - HB3 GLN 47 lone 8 92 - 9 - 6404/4.0=3, 1094/2.9=1 HG2 MET 68 - HB3 GLN 47 lone 5 98 - 5 - HG2 MET 11 - HB3 GLN 47 lone 2 62 - 4 - Peak 1118 from cnoeabs.peaks (8.51, 2.33, 28.08 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.93: * H LYS 48 + HB3 GLN 47 OK 91 100 - 91 - 4.7=68, 6436/1.8=32...(11) H LEU 108 + HB3 GLN 47 OK 24 100 - 24 - 1108/1.8=8, 1098/2.9=6...(5) Peak 1119 from cnoeabs.peaks (7.99, 2.42, 33.10 ppm; 3.32 A): 2 out of 16 assignments used, quality = 0.97: H GLN 47 + HG3 GLN 47 OK 82 100 - 82 - 4.9=32, 6407/3.0=20...(21) * H GLN 47 + HG2 GLN 47 OK 82 100 - 82 - 4.9=32, 6407/3.0=20...(21) H GLN 47 - HG2 GLN 133 OK 39 95 - 41 - 6408=6, 6404/1.8=5...(19) H GLN 47 - HG3 GLN 133 OK 37 91 - 41 - 6408=6, 6404/1.8=5...(19) H ALA 104 - HG3 GLN 47 OK 12 92 - 13 - 1100/3.0=2, 1110/3.0=2...(6) H ALA 104 - HG2 GLN 47 OK 12 92 - 13 - 1100/3.0=2, 1110/3.0=2...(6) H ARG 140 - HG3 GLN 47 OK 12 100 - 12 - 1100/3.0=3, 1110/3.0=3...(4) H ARG 140 - HG2 GLN 47 OK 12 100 - 12 - 1100/3.0=3, 1110/3.0=3...(4) H VAL 73 - HG2 GLN 133 OK 11 89 - 13 - 8547/3.5=6, ~8533=1 H VAL 73 - HG3 GLN 133 OK 11 84 - 13 - 8547/3.5=6, ~8533=1 H VAL 73 - HG3 GLN 47 lone 8 96 - 8 - 1100/3.0=2, 1110/3.0=1 H VAL 73 - HG2 GLN 47 lone 8 96 - 8 - 1100/3.0=2, 1110/3.0=1 H ALA 104 - HG2 GLN 133 lone 6 83 - 7 - H ALA 104 - HG3 GLN 133 lone 6 79 - 7 - H ARG 140 - HG2 GLN 133 lone 3 93 - 3 - H ARG 140 - HG3 GLN 133 lone 3 89 - 3 - Peak 1120 from cnoeabs.peaks (3.80, 2.42, 33.10 ppm; 3.12 A): 2 out of 8 assignments used, quality = 0.99: * HA GLN 47 + HG2 GLN 47 OK 91 100 - 91 - 3.6=63, 1095/1.8=9...(30) HA GLN 47 + HG3 GLN 47 OK 91 100 - 91 - 3.6=63, 1095/1.8=9...(30) HA GLN 47 - HG2 GLN 133 OK 45 95 - 47 - 1094=7, 1095/1.8=5...(29) HA GLN 47 - HG3 GLN 133 OK 43 91 - 48 - 1094=7, 1095/1.8=5...(29) HA TYR 27 - HG2 GLN 47 OK 10 92 - 11 - 1111/3.0=3, 1101/3.0=3...(5) HA TYR 27 - HG3 GLN 47 OK 10 92 - 11 - 1111/3.0=3, 1101/3.0=3...(5) HA TYR 27 - HG2 GLN 133 lone 2 83 - 2 - HA TYR 27 - HG3 GLN 133 lone 2 79 - 2 - Peak 1121 from cnoeabs.peaks (2.36, 2.42, 33.10 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.96: HB2 GLN 47 + HG3 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) * HB2 GLN 47 + HG2 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) HB2 GLN 47 - HG2 GLN 133 OK 29 95 - 30 - 1105=4, 1.8/1115=3...(17) HB2 GLN 47 - HG3 GLN 133 OK 27 91 - 30 - 1105=4, 1104/1.8=3...(17) HB2 PRO 98 - HG3 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HB2 PRO 98 - HG2 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HE2 LYS 123 - HG2 GLN 47 OK 11 96 - 12 - 1112/3.0=2, 1092/3.6=2 HE2 LYS 123 - HG3 GLN 47 OK 11 96 - 12 - 1112/3.0=2, 1092/3.6=2 HE2 LYS 123 - HG2 GLN 133 lone 1 89 - 1 - HE2 LYS 123 - HG3 GLN 133 lone 1 84 - 1 - HB2 PRO 98 - HG2 GLN 133 lone 1 73 - 2 - HB2 PRO 98 - HG3 GLN 133 lone 1 68 - 2 - Peak 1122 from cnoeabs.peaks (2.33, 2.42, 33.10 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.96: HB3 GLN 47 + HG3 GLN 47 OK 80 100 - 80 - 3.0=58, 1.8/1104=7...(22) * HB3 GLN 47 + HG2 GLN 47 OK 80 100 - 80 - 3.0=58, 1.8/1104=7...(22) HB3 GLN 47 - HG2 GLN 133 OK 29 95 - 30 - 1114=4, 1.8/1104=3...(17) HB3 GLN 47 - HG3 GLN 133 OK 27 91 - 30 - 1115=4, 1114/1.8=3...(17) HB2 PRO 98 - HG3 GLN 47 OK 22 81 - 27 - 1103/3.0=5, 1093/3.6=4...(14) HB2 PRO 98 - HG2 GLN 47 OK 22 81 - 27 - 1103/3.0=5, 1093/3.6=4...(14) HG2 GLU 142 - HG2 GLN 47 lone 3 77 - 3 - HG2 GLU 142 - HG3 GLN 47 lone 3 77 - 3 - HB2 PRO 98 - HG2 GLN 133 lone 1 73 - 2 - HB2 PRO 98 - HG3 GLN 133 lone 1 68 - 2 - HG2 GLU 142 - HG2 GLN 133 lone 0 68 - 0 - HG2 GLU 142 - HG3 GLN 133 lone 0 64 - 0 - Peak 1123 from cnoeabs.peaks (2.42, 2.42, 33.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 * HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 92 92 - 100 HG3 GLN 133 + HG3 GLN 133 OK 86 86 - 100 Peak 1124 from cnoeabs.peaks (2.42, 2.42, 33.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 92 92 - 100 HG3 GLN 133 + HG3 GLN 133 OK 86 86 - 100 Reference assignment not found: HG3 GLN 47 - HG2 GLN 47 Peak 1125 from cnoeabs.peaks (7.49, 2.42, 33.10 ppm; 3.76 A): 2 out of 24 assignments used, quality = 1.00: * HE21 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.5=100 HE21 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.5=100 HE21 GLN 47 - HG2 GLN 133 OK 26 95 - 28 - 6419=4, 6418/1.8=4...(11) HE21 GLN 47 - HG3 GLN 133 OK 25 91 - 28 - 6419=4, 6418/1.8=4...(11) H TYR 70 - HG2 GLN 133 lone 8 92 - 9 - 6699/4.0=3 H TYR 70 - HG3 GLN 133 lone 8 88 - 9 - 6699/4.0=3 H TYR 70 - HG3 GLN 47 lone 5 99 - 6 - H TYR 70 - HG2 GLN 47 lone 5 99 - 6 - HE ARG 49 - HG2 GLN 133 lone 5 83 - 6 - 5.1/10312=2, ~10983=1 HE ARG 49 - HG3 GLN 133 lone 5 79 - 6 - 5.1/10312=2, 3.9/10427=1 HE ARG 49 - HG2 GLN 47 lone 4 92 - 4 - 5.1/10312=2, 3.9/10427=1 HE ARG 49 - HG3 GLN 47 lone 4 92 - 4 - 5.1/10312=2, 3.9/10427=1 HE22 GLN 62 - HG3 GLN 47 lone 3 77 - 4 - 6428/3.5=4 HE22 GLN 62 - HG2 GLN 47 lone 3 77 - 4 - 6428/3.5=4 HD1 TRP 88 - HG2 GLN 133 lone 2 93 - 2 - HD1 TRP 88 - HG3 GLN 133 lone 2 89 - 2 - HE22 GLN 25 - HG3 GLN 47 lone 2 68 - 2 - HE22 GLN 25 - HG2 GLN 47 lone 2 68 - 2 - HD1 TRP 88 - HG3 GLN 47 lone 1 100 - 1 - HD1 TRP 88 - HG2 GLN 47 lone 1 100 - 1 - HE22 GLN 25 - HG2 GLN 133 lone 1 59 - 2 - 8073/8066=1 HE22 GLN 25 - HG3 GLN 133 lone 1 56 - 2 - 8073/8066=1 HE22 GLN 62 - HG2 GLN 133 lone 1 68 - 1 - HE22 GLN 62 - HG3 GLN 133 lone 1 64 - 1 - Peak 1126 from cnoeabs.peaks (6.88, 2.42, 33.10 ppm; 4.12 A): 2 out of 20 assignments used, quality = 1.00: HE22 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.5=100 * HE22 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.5=100 HE22 GLN 47 - HG2 GLN 133 OK 29 93 - 31 - 6427=5, 1.7/6418=4...(11) HE22 GLN 47 - HG3 GLN 133 OK 28 89 - 31 - 6427=5, 1.7/6419=4...(11) HE21 GLN 25 - HG2 GLN 47 lone 2 81 - 3 - HE21 GLN 25 - HG3 GLN 47 lone 2 81 - 3 - HE21 GLN 25 - HG2 GLN 133 lone 2 73 - 2 - HE21 GLN 25 - HG3 GLN 133 lone 2 68 - 2 - HE21 GLN 111 - HG2 GLN 133 lone 1 93 - 1 - HZ PHE 23 - HG2 GLN 133 lone 1 94 - 1 - HE21 GLN 111 - HG3 GLN 133 lone 1 89 - 1 - HZ PHE 23 - HG3 GLN 133 lone 1 90 - 1 - HZ PHE 23 - HG3 GLN 47 lone 1 100 - 1 - HZ PHE 23 - HG2 GLN 47 lone 1 100 - 1 - HE21 GLN 111 - HG3 GLN 47 lone 1 100 - 1 - HE21 GLN 111 - HG2 GLN 47 lone 1 100 - 1 - HD2 HIS 14 - HG2 GLN 133 lone 1 55 - 1 - HD2 HIS 14 - HG3 GLN 133 lone 1 51 - 1 - HD2 HIS 14 - HG3 GLN 47 lone 0 62 - 1 - HD2 HIS 14 - HG2 GLN 47 lone 0 62 - 1 - Peak 1127 from cnoeabs.peaks (8.51, 2.42, 33.10 ppm; 3.58 A): 2 out of 8 assignments used, quality = 0.96: H LYS 48 + HG3 GLN 47 OK 81 100 - 81 - 4.9=38, 6437/3.0=22...(16) * H LYS 48 + HG2 GLN 47 OK 81 100 - 81 - 4.9=38, 6437/3.0=22...(16) H LYS 48 - HG2 GLN 133 OK 29 95 - 30 - 6439=6, 3.6/1120=4...(13) H LYS 48 - HG3 GLN 133 OK 27 91 - 30 - 6439=6, 6439/1.8=4...(13) H LEU 108 - HG3 GLN 47 OK 21 100 - 21 - 1118/3.0=5, 1108/3.0=5...(4) H LEU 108 - HG2 GLN 47 OK 21 100 - 21 - 1118/3.0=5, 1108/3.0=5...(4) H LEU 108 - HG2 GLN 133 lone 7 93 - 7 - 7263/4.0=2 H LEU 108 - HG3 GLN 133 lone 7 89 - 7 - 7263/4.0=2 Peak 1128 from cnoeabs.peaks (7.99, 2.42, 33.10 ppm; 3.32 A): 2 out of 16 assignments used, quality = 0.97: * H GLN 47 + HG3 GLN 47 OK 82 100 - 82 - 4.9=32, 6407/3.0=20...(21) H GLN 47 + HG2 GLN 47 OK 82 100 - 82 - 4.9=32, 6407/3.0=20...(21) H GLN 47 - HG2 GLN 133 OK 39 95 - 41 - 6408=6, 6404/1.8=5...(19) H GLN 47 - HG3 GLN 133 OK 37 91 - 41 - 6408=6, 6404/1.8=5...(19) H ALA 104 - HG3 GLN 47 OK 12 92 - 13 - 1100/3.0=2, 1110/3.0=2...(6) H ALA 104 - HG2 GLN 47 OK 12 92 - 13 - 1100/3.0=2, 1110/3.0=2...(6) H ARG 140 - HG3 GLN 47 OK 12 100 - 12 - 1100/3.0=3, 1110/3.0=3...(4) H ARG 140 - HG2 GLN 47 OK 12 100 - 12 - 1100/3.0=3, 1110/3.0=3...(4) H VAL 73 - HG2 GLN 133 OK 11 89 - 13 - 8547/3.5=6, ~8533=1 H VAL 73 - HG3 GLN 133 OK 11 84 - 13 - 8547/3.5=6, ~8533=1 H VAL 73 - HG3 GLN 47 lone 8 96 - 8 - 1100/3.0=2, 1110/3.0=1 H VAL 73 - HG2 GLN 47 lone 8 96 - 8 - 1100/3.0=2, 1110/3.0=1 H ALA 104 - HG2 GLN 133 lone 6 83 - 7 - H ALA 104 - HG3 GLN 133 lone 6 79 - 7 - H ARG 140 - HG2 GLN 133 lone 3 93 - 3 - H ARG 140 - HG3 GLN 133 lone 3 89 - 3 - Peak 1129 from cnoeabs.peaks (3.80, 2.42, 33.10 ppm; 3.12 A): 2 out of 8 assignments used, quality = 0.99: HA GLN 47 + HG2 GLN 47 OK 91 100 - 91 - 3.6=63, 1095/1.8=9...(30) * HA GLN 47 + HG3 GLN 47 OK 91 100 - 91 - 3.6=63, 1095/1.8=9...(30) HA GLN 47 - HG2 GLN 133 OK 45 95 - 47 - 1094=7, 1095/1.8=5...(29) HA GLN 47 - HG3 GLN 133 OK 43 91 - 48 - 1094=7, 1095/1.8=5...(29) HA TYR 27 - HG2 GLN 47 OK 10 92 - 11 - 1111/3.0=3, 1101/3.0=3...(5) HA TYR 27 - HG3 GLN 47 OK 10 92 - 11 - 1111/3.0=3, 1101/3.0=3...(5) HA TYR 27 - HG2 GLN 133 lone 2 83 - 2 - HA TYR 27 - HG3 GLN 133 lone 2 79 - 2 - Peak 1130 from cnoeabs.peaks (2.36, 2.42, 33.10 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.96: * HB2 GLN 47 + HG3 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) HB2 GLN 47 + HG2 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) HB2 GLN 47 - HG2 GLN 133 OK 29 95 - 30 - 1105=4, 1.8/1115=3...(17) HB2 GLN 47 - HG3 GLN 133 OK 27 91 - 30 - 1105=4, 1104/1.8=3...(17) HB2 PRO 98 - HG3 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HB2 PRO 98 - HG2 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HE2 LYS 123 - HG2 GLN 47 OK 11 96 - 12 - 1112/3.0=2, 1092/3.6=2 HE2 LYS 123 - HG3 GLN 47 OK 11 96 - 12 - 1112/3.0=2, 1092/3.6=2 HE2 LYS 123 - HG2 GLN 133 lone 1 89 - 1 - HE2 LYS 123 - HG3 GLN 133 lone 1 84 - 1 - HB2 PRO 98 - HG2 GLN 133 lone 1 73 - 2 - HB2 PRO 98 - HG3 GLN 133 lone 1 68 - 2 - Peak 1131 from cnoeabs.peaks (2.33, 2.42, 33.10 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.96: * HB3 GLN 47 + HG3 GLN 47 OK 80 100 - 80 - 3.0=58, 1.8/1104=7...(22) HB3 GLN 47 + HG2 GLN 47 OK 80 100 - 80 - 3.0=58, 1.8/1104=7...(22) HB3 GLN 47 - HG2 GLN 133 OK 29 95 - 30 - 1114=4, 1.8/1104=3...(17) HB3 GLN 47 - HG3 GLN 133 OK 27 91 - 30 - 1115=4, 1114/1.8=3...(17) HB2 PRO 98 - HG3 GLN 47 OK 22 81 - 27 - 1103/3.0=5, 1093/3.6=4...(14) HB2 PRO 98 - HG2 GLN 47 OK 22 81 - 27 - 1103/3.0=5, 1093/3.6=4...(14) HG2 GLU 142 - HG2 GLN 47 lone 3 77 - 3 - HG2 GLU 142 - HG3 GLN 47 lone 3 77 - 3 - HB2 PRO 98 - HG2 GLN 133 lone 1 73 - 2 - HB2 PRO 98 - HG3 GLN 133 lone 1 68 - 2 - HG2 GLU 142 - HG2 GLN 133 lone 0 68 - 0 - HG2 GLU 142 - HG3 GLN 133 lone 0 64 - 0 - Peak 1132 from cnoeabs.peaks (2.42, 2.42, 33.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 92 92 - 100 HG3 GLN 133 + HG3 GLN 133 OK 86 86 - 100 Reference assignment not found: HG2 GLN 47 - HG3 GLN 47 Peak 1133 from cnoeabs.peaks (2.42, 2.42, 33.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 92 92 - 100 HG3 GLN 133 + HG3 GLN 133 OK 86 86 - 100 Peak 1134 from cnoeabs.peaks (7.49, 2.42, 33.10 ppm; 3.76 A): 2 out of 24 assignments used, quality = 1.00: HE21 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.5=100 * HE21 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.5=100 HE21 GLN 47 - HG2 GLN 133 OK 26 95 - 28 - 6419=4, 6418/1.8=4...(11) HE21 GLN 47 - HG3 GLN 133 OK 25 91 - 28 - 6419=4, 6418/1.8=4...(11) H TYR 70 - HG2 GLN 133 lone 8 92 - 9 - 6699/4.0=3 H TYR 70 - HG3 GLN 133 lone 8 88 - 9 - 6699/4.0=3 H TYR 70 - HG3 GLN 47 lone 5 99 - 6 - H TYR 70 - HG2 GLN 47 lone 5 99 - 6 - HE ARG 49 - HG2 GLN 133 lone 5 83 - 6 - 5.1/10312=2, ~10983=1 HE ARG 49 - HG3 GLN 133 lone 5 79 - 6 - 5.1/10312=2, 3.9/10427=1 HE ARG 49 - HG2 GLN 47 lone 4 92 - 4 - 5.1/10312=2, 3.9/10427=1 HE ARG 49 - HG3 GLN 47 lone 4 92 - 4 - 5.1/10312=2, 3.9/10427=1 HE22 GLN 62 - HG3 GLN 47 lone 3 77 - 4 - 6428/3.5=4 HE22 GLN 62 - HG2 GLN 47 lone 3 77 - 4 - 6428/3.5=4 HD1 TRP 88 - HG2 GLN 133 lone 2 93 - 2 - HD1 TRP 88 - HG3 GLN 133 lone 2 89 - 2 - HE22 GLN 25 - HG3 GLN 47 lone 2 68 - 2 - HE22 GLN 25 - HG2 GLN 47 lone 2 68 - 2 - HD1 TRP 88 - HG3 GLN 47 lone 1 100 - 1 - HD1 TRP 88 - HG2 GLN 47 lone 1 100 - 1 - HE22 GLN 25 - HG2 GLN 133 lone 1 59 - 2 - 8073/8066=1 HE22 GLN 25 - HG3 GLN 133 lone 1 56 - 2 - 8073/8066=1 HE22 GLN 62 - HG2 GLN 133 lone 1 68 - 1 - HE22 GLN 62 - HG3 GLN 133 lone 1 64 - 1 - Peak 1135 from cnoeabs.peaks (6.88, 2.42, 33.10 ppm; 4.12 A): 2 out of 20 assignments used, quality = 1.00: * HE22 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.5=100 HE22 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.5=100 HE22 GLN 47 - HG2 GLN 133 OK 29 93 - 31 - 6427=5, 1.7/6418=4...(11) HE22 GLN 47 - HG3 GLN 133 OK 28 89 - 31 - 6427=5, 1.7/6419=4...(11) HE21 GLN 25 - HG2 GLN 47 lone 2 81 - 3 - HE21 GLN 25 - HG3 GLN 47 lone 2 81 - 3 - HE21 GLN 25 - HG2 GLN 133 lone 2 73 - 2 - HE21 GLN 25 - HG3 GLN 133 lone 2 68 - 2 - HE21 GLN 111 - HG2 GLN 133 lone 1 93 - 1 - HZ PHE 23 - HG2 GLN 133 lone 1 94 - 1 - HE21 GLN 111 - HG3 GLN 133 lone 1 89 - 1 - HZ PHE 23 - HG3 GLN 133 lone 1 90 - 1 - HZ PHE 23 - HG3 GLN 47 lone 1 100 - 1 - HZ PHE 23 - HG2 GLN 47 lone 1 100 - 1 - HE21 GLN 111 - HG3 GLN 47 lone 1 100 - 1 - HE21 GLN 111 - HG2 GLN 47 lone 1 100 - 1 - HD2 HIS 14 - HG2 GLN 133 lone 1 55 - 1 - HD2 HIS 14 - HG3 GLN 133 lone 1 51 - 1 - HD2 HIS 14 - HG3 GLN 47 lone 0 62 - 1 - HD2 HIS 14 - HG2 GLN 47 lone 0 62 - 1 - Peak 1136 from cnoeabs.peaks (8.51, 2.42, 33.10 ppm; 3.58 A): 2 out of 8 assignments used, quality = 0.96: * H LYS 48 + HG3 GLN 47 OK 81 100 - 81 - 4.9=38, 6437/3.0=22...(16) H LYS 48 + HG2 GLN 47 OK 81 100 - 81 - 4.9=38, 6437/3.0=22...(16) H LYS 48 - HG2 GLN 133 OK 29 95 - 30 - 6439=6, 3.6/1120=4...(13) H LYS 48 - HG3 GLN 133 OK 27 91 - 30 - 6439=6, 6439/1.8=4...(13) H LEU 108 - HG3 GLN 47 OK 21 100 - 21 - 1118/3.0=5, 1108/3.0=5...(4) H LEU 108 - HG2 GLN 47 OK 21 100 - 21 - 1118/3.0=5, 1108/3.0=5...(4) H LEU 108 - HG2 GLN 133 lone 7 93 - 7 - 7263/4.0=2 H LEU 108 - HG3 GLN 133 lone 7 89 - 7 - 7263/4.0=2 Peak 1137 from cnoeabs.peaks (8.51, 3.95, 59.08 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 48 + HA LYS 48 OK 100 100 - 100 - 3.0=100 H LEU 108 - HA LYS 48 OK 37 100 - 37 - 1172/3.8=6, 1183/3.8=6...(14) Peak 1138 from cnoeabs.peaks (3.95, 3.95, 59.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 48 + HA LYS 48 OK 100 100 - 100 Peak 1139 from cnoeabs.peaks (1.87, 3.95, 59.08 ppm; 3.00 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 48 + HA LYS 48 OK 99 100 - 99 - 3.0=99 HB3 LYS 48 + HA LYS 48 OK 96 96 - 99 - 3.0=99 HB2 LYS 36 - HA LYS 48 OK 33 99 - 34 - 1162=4, 3.0/1184=3...(17) HB2 ARG 144 - HA LYS 48 OK 26 100 - 26 - 3.0/1142=3, 4888/3.8=2...(10) HB3 LYS 85 - HA LYS 48 OK 20 94 - 21 - ~2584=2, 1174/3.8=2...(7) HB3 LYS 76 - HA LYS 48 poor 8 81 - 10 - 1.8/1141=2 HG LEU 69 - HA LYS 48 lone 5 89 - 6 - HB3 GLU 28 - HA LYS 48 lone 3 77 - 4 - Peak 1140 from cnoeabs.peaks (1.87, 3.95, 59.08 ppm; 3.00 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 48 + HA LYS 48 OK 99 100 - 99 - 3.0=99 HB2 LYS 48 + HA LYS 48 OK 96 96 - 99 - 3.0=99 HB2 LYS 36 - HA LYS 48 OK 34 100 - 34 - 1162=4, 3.0/1184=3...(17) HB2 ARG 144 - HA LYS 48 OK 25 100 - 26 - 3.0/1142=3, 4888/3.8=2...(10) HB3 LYS 93 - HA LYS 48 OK 19 57 - 33 - 3.4/1143=4, 3.4/1144=3...(9) HB3 ARG 141 - HA LYS 48 OK 17 72 - 23 - 3.0/10502=6, 2.8/1142=2...(6) HB3 LYS 85 - HA LYS 48 OK 14 72 - 20 - ~2584=2, ~2584=2...(7) HG LEU 69 - HA LYS 48 lone 4 62 - 6 - Peak 1141 from cnoeabs.peaks (1.45, 3.95, 59.08 ppm; 3.32 A): 1 out of 6 assignments used, quality = 0.95: * HG2 LYS 48 + HA LYS 48 OK 95 100 - 95 - 3.8=67, 1.8/1184=18...(42) HB3 LYS 114 - HA LYS 48 OK 21 89 - 24 - 3754/3.6=5, 3.9/1147=5...(7) HB2 LYS 76 - HA LYS 48 OK 10 85 - 12 - 6445/3.0=2, 1187/3.8=1...(6) HB3 LYS 123 - HA LYS 48 lone 7 100 - 7 - 6445/3.0=2, 1187/3.8=1 HB3 LEU 66 - HA LYS 48 lone 5 100 - 5 - HG LEU 126 - HA LYS 48 lone 3 62 - 4 - Peak 1142 from cnoeabs.peaks (1.60, 3.95, 59.08 ppm; 3.72 A): 2 out of 13 assignments used, quality = 1.00: * HG3 LYS 48 + HA LYS 48 OK 100 100 - 100 - 3.8=94, 1.8/1141=31...(44) HG3 LYS 36 + HA LYS 48 OK 48 92 - 53 - 1184=8, 696/3.0=5...(24) HG2 ARG 144 - HA LYS 48 OK 40 100 - 40 - 4903/3.0=5, 4903/3.0=5...(15) HG2 ARG 141 - HA LYS 48 OK 35 98 - 36 - 3.8/10502=8, 1.8/1144=4...(12) HG LEU 108 - HA LYS 48 OK 31 96 - 32 - 3493/3.0=7, ~3501=5...(9) HG3 ARG 144 - HA LYS 48 OK 24 62 - 38 - 4912/3.0=3, 4912/3.0=3...(20) HG3 ARG 49 - HA LYS 48 OK 16 72 - 22 - 1274/3.6=7, 1275/4.8=5...(5) HB2 LEU 97 - HA LYS 48 OK 15 99 - 15 - 3195/8187=2, 6458/3.6=2...(7) HB2 LEU 87 - HA LYS 48 OK 11 68 - 16 - ~10091=3, 1177/3.8=2...(7) HD2 LYS 61 - HA LYS 48 lone 5 92 - 6 - HD3 LYS 61 - HA LYS 48 lone 5 92 - 6 - HB3 LEU 64 - HA LYS 48 lone 3 62 - 5 - HB2 LEU 79 - HA LYS 48 lone 2 96 - 2 - Peak 1143 from cnoeabs.peaks (1.67, 3.95, 59.08 ppm; 3.47 A): 2 out of 13 assignments used, quality = 0.99: * HD2 LYS 48 + HA LYS 48 OK 92 100 - 92 - 5.3=29, 3.0/1141=21...(48) HD3 LYS 48 + HA LYS 48 OK 87 94 - 92 - 5.3=29, 3.0/1141=21...(48) HD2 LYS 93 - HA LYS 48 OK 43 77 - 56 - 1179/3.8=5, 1206=5...(23) HD3 LYS 93 - HA LYS 48 OK 34 62 - 55 - 1179/3.8=5, 1190/3.8=5...(22) HB2 LYS 114 - HA LYS 48 OK 15 62 - 24 - 1.8/1141=6, 3.9/1147=5...(9) HB2 MET 68 - HA LYS 48 lone 7 99 - 7 - 4.2/8421=1 HB2 LEU 95 - HA LYS 48 lone 6 100 - 6 - 4.6/9087=1, 3.9/7114=1 HG2 ARG 140 - HA LYS 48 lone 4 81 - 4 - 4733/4.8=1, 7404/3.6=1 HG13 ILE 136 - HA LYS 48 lone 3 77 - 4 - HG2 ARG 124 - HA LYS 48 lone 2 100 - 2 - HG2 ARG 89 - HA LYS 48 lone 2 100 - 2 - HB2 ARG 145 - HA LYS 48 lone 2 100 - 2 - HB VAL 71 - HA LYS 48 lone 2 100 - 2 - Peak 1144 from cnoeabs.peaks (1.67, 3.95, 59.08 ppm; 3.71 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 48 + HA LYS 48 OK 95 100 - 95 - 5.3=35, 3.0/1141=23...(53) HD2 LYS 48 + HA LYS 48 OK 90 94 - 95 - 5.3=35, 3.0/1141=23...(53) HD2 LYS 93 + HA LYS 48 OK 63 98 - 65 - 1206=7, 1179/3.8=7...(28) HG3 ARG 141 - HA LYS 48 OK 30 85 - 35 - 3.8/10502=8, 1.8/1142=4...(13) HG LEU 97 - HA LYS 48 poor 8 81 - 10 - ~10132=2, 3.0/1142=1, 1190/3.8=1 HB2 MET 68 - HA LYS 48 lone 6 81 - 8 - 4.2/8421=1 HB2 LEU 95 - HA LYS 48 lone 6 94 - 7 - 4.6/9087=2, 3.9/7114=1 HG2 ARG 89 - HA LYS 48 lone 2 94 - 3 - HG2 ARG 124 - HA LYS 48 lone 2 85 - 2 - HB2 ARG 145 - HA LYS 48 lone 2 99 - 2 - HB VAL 71 - HA LYS 48 lone 2 94 - 2 - Peak 1145 from cnoeabs.peaks (2.95, 3.95, 59.08 ppm; 6.80 A): 6 out of 10 assignments used, quality = 1.00: * HE2 LYS 48 + HA LYS 48 OK 100 100 - 100 - 6.0=100 HE3 LYS 48 + HA LYS 48 OK 99 99 - 100 - 6.0=100 HE2 LYS 93 + HA LYS 48 OK 87 100 - 87 - 3.0/1144=10, 3.0/1143=10...(50) HE2 LYS 85 + HA LYS 48 OK 74 100 - 74 - ~2618=6, ~2607=6...(42) HE3 LYS 93 + HA LYS 48 OK 72 81 - 88 - 3.0/1144=10, 3.0/1143=10...(54) HE3 LYS 85 + HA LYS 48 OK 70 94 - 74 - ~2618=6, ~2607=6...(41) HB2 PHE 106 - HA LYS 48 OK 44 100 - 44 - 4.6/7251=7, ~6442=6...(15) HB3 PHE 67 - HA LYS 48 lone 10 100 - 10 - HB2 TYR 115 - HA LYS 48 lone 9 100 - 9 - 1180/3.8=1 HB3 ASN 130 - HA LYS 48 lone 2 62 - 4 - Peak 1146 from cnoeabs.peaks (2.95, 3.95, 59.08 ppm; 6.80 A): 6 out of 12 assignments used, quality = 1.00: * HE3 LYS 48 + HA LYS 48 OK 100 100 - 100 - 6.0=100 HE2 LYS 48 + HA LYS 48 OK 99 99 - 100 - 6.0=100 HE2 LYS 93 + HA LYS 48 OK 86 100 - 87 - 3.0/1144=10, 3.0/1143=10...(50) HE3 LYS 93 + HA LYS 48 OK 83 94 - 88 - 3.0/1144=10, 3.0/1143=10...(54) HE3 LYS 85 + HA LYS 48 OK 74 100 - 74 - ~2618=6, ~2607=6...(41) HE2 LYS 85 + HA LYS 48 OK 74 100 - 74 - ~2618=6, ~2607=6...(42) HB2 PHE 106 - HA LYS 48 OK 42 98 - 43 - 4.6/7251=7, ~6442=6...(15) HE3 LYS 61 - HA LYS 48 OK 12 77 - 15 - 5.8/8333=2, 7.2/6562=1...(5) HE2 LYS 61 - HA LYS 48 OK 11 77 - 14 - 5.8/8333=2, 7.2/6562=1...(5) HB3 PHE 67 - HA LYS 48 lone 9 98 - 9 - HB2 TYR 115 - HA LYS 48 lone 9 99 - 9 - 1180/3.8=1 HB3 ASN 130 - HA LYS 48 lone 3 81 - 4 - Peak 1147 from cnoeabs.peaks (7.39, 3.95, 59.08 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 49 + HA LYS 48 OK 100 100 - 100 - 3.6=100 H LYS 114 + HA LYS 48 OK 46 100 - 46 - 6451/3.0=11, 6454=9...(12) H ASP 41 - HA LYS 48 lone 8 92 - 8 - 6451/3.0=2, 1238/4.8=1 Peak 1148 from cnoeabs.peaks (4.22, 1.87, 31.89 ppm; 2.90 A): 8 out of 21 assignments used, quality = 0.87: HA LYS 85 + HB2 LYS 48 OK 31 96 - 33 - 2572=4, 2.9/2584=3...(13) * HA PHE 45 + HB2 LYS 48 OK 28 100 - 28 - 1019/3.8=9, 1020=8...(7) HA LYS 93 + HB2 LYS 48 OK 27 100 - 27 - 3016/3.6=3, 10469/2.9=3...(12) HA LYS 85 + HB3 LYS 48 OK 25 80 - 31 - 2572/1.8=4, 2572=3...(13) HA PHE 45 + HB3 LYS 48 OK 24 87 - 27 - 1019/3.8=9, 1020=8...(7) HA LYS 93 + HB3 LYS 48 OK 19 87 - 22 - 3016/3.6=3, 10469/2.9=3...(7) HA PHE 45 + HB2 LYS 36 OK 13 74 - 17 - 1020=5, 1015/4.5=2...(7) HA ILE 101 + HB2 LYS 48 OK 11 98 - 12 - 1020=3, 1021/1.8=2, 1019/3.8=2 HA ILE 101 - HB3 LYS 48 poor 9 82 - 11 - 1021=3, 1020/1.8=2, 1019/3.8=2 HA LYS 85 - HB2 LYS 36 poor 8 67 - 11 - 2572=1 HA ALA 134 - HB2 LYS 48 lone 7 92 - 7 - 2.1/10321=3, ~10321=2 HA LYS 93 - HB2 LYS 36 lone 6 74 - 9 - 3015/3.0=2 HA ALA 134 - HB3 LYS 48 lone 5 75 - 7 - 2.1/10321=3, ~10321=2 HA THR 102 - HB2 LYS 48 lone 3 100 - 3 - HA THR 102 - HB3 LYS 48 lone 3 85 - 3 - HB THR 102 - HB2 LYS 48 lone 2 62 - 3 - HA ILE 101 - HB2 LYS 36 lone 1 69 - 2 - HA ALA 134 - HB2 LYS 36 lone 1 62 - 2 - HB THR 102 - HB3 LYS 48 lone 1 48 - 3 - HA THR 102 - HB2 LYS 36 lone 1 72 - 1 - HB THR 102 - HB2 LYS 36 lone 0 39 - 1 - Peak 1149 from cnoeabs.peaks (8.51, 1.87, 31.89 ppm; 2.87 A): 2 out of 6 assignments used, quality = 0.95: * H LYS 48 + HB2 LYS 48 OK 83 100 - 83 - 3.8=43, 6443/1.8=14...(25) H LYS 48 + HB3 LYS 48 OK 72 87 - 83 - 3.8=43, 6443/1.8=14...(25) H LEU 108 - HB2 LYS 48 OK 22 100 - 22 - 1183/2.9=5, 1172/2.9=5...(7) H LEU 108 - HB3 LYS 48 OK 19 85 - 22 - 1183/2.9=5, 1172/2.9=5...(7) H LYS 48 - HB2 LYS 36 OK 12 74 - 16 - 6443=4, 3.0/1139=3...(5) H LEU 108 - HB2 LYS 36 lone 2 72 - 3 - Peak 1150 from cnoeabs.peaks (3.95, 1.87, 31.89 ppm; 2.84 A): 2 out of 21 assignments used, quality = 0.99: * HA LYS 48 + HB2 LYS 48 OK 95 100 - 95 - 3.0=84, 1141/2.9=15...(31) HA LYS 48 + HB3 LYS 48 OK 83 87 - 95 - 3.0=84, 1141/2.9=15...(31) HA LYS 48 - HB2 LYS 36 OK 23 74 - 31 - 1139=5, 1184/3.0=3...(15) HA PHE 106 - HB2 LYS 48 OK 18 98 - 18 - 1173/2.9=3, 1184/2.9=2...(6) HA PHE 106 - HB3 LYS 48 OK 15 82 - 18 - 1173/2.9=3, 1184/2.9=2...(6) HB3 SER 103 - HB2 LYS 48 lone 8 89 - 9 - 1173/2.9=1, 1184/2.9=1 HA ALA 60 - HB2 LYS 48 lone 8 100 - 7 - 1173/2.9=1, 1184/2.9=1 HA3 GLY 94 - HB2 LYS 48 lone 7 100 - 7 - 1173/2.9=2, 1184/2.9=1 HB3 SER 103 - HB3 LYS 48 lone 7 72 - 9 - 1173/2.9=1, 1184/2.9=1 HA ALA 60 - HB3 LYS 48 lone 6 85 - 7 - 1173/2.9=1, 1184/2.9=1 HA3 GLY 94 - HB3 LYS 48 lone 6 85 - 7 - 1173/2.9=2, 1184/2.9=1 HD3 PRO 129 - HB2 LYS 48 lone 3 81 - 3 - HA LEU 29 - HB2 LYS 48 lone 2 77 - 3 - HD3 PRO 129 - HB3 LYS 48 lone 2 64 - 3 - HA LEU 29 - HB3 LYS 48 lone 2 61 - 3 - HA PHE 106 - HB2 LYS 36 lone 2 69 - 2 - HD3 PRO 129 - HB2 LYS 36 lone 2 53 - 3 - HA3 GLY 94 - HB2 LYS 36 lone 1 72 - 1 - HA LEU 29 - HB2 LYS 36 lone 1 50 - 2 - HA ALA 60 - HB2 LYS 36 lone 1 72 - 1 - HB3 SER 103 - HB2 LYS 36 lone 1 60 - 1 - Peak 1151 from cnoeabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 48 + HB2 LYS 48 OK 100 100 - 100 HB3 LYS 48 + HB3 LYS 48 OK 80 80 - 100 HB2 LYS 36 + HB2 LYS 36 OK 71 71 - 100 Peak 1152 from cnoeabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 LYS 48 + HB2 LYS 48 OK 96 96 - 100 HB3 LYS 48 + HB3 LYS 48 OK 87 87 - 100 HB2 LYS 36 + HB2 LYS 36 OK 73 73 - 100 Reference assignment not found: HB3 LYS 48 - HB2 LYS 48 Peak 1153 from cnoeabs.peaks (1.45, 1.87, 31.89 ppm; 2.71 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 48 + HB2 LYS 48 OK 97 100 - 97 - 2.9=84, 1141/3.0=13...(67) HG2 LYS 48 + HB3 LYS 48 OK 84 87 - 97 - 2.9=84, 1141/3.0=13...(66) HG2 LYS 48 - HB2 LYS 36 OK 29 74 - 40 - 1174=6, 1.8/1185=4...(18) HB3 LYS 114 - HB2 LYS 48 OK 20 89 - 22 - 1141/3.0=2, 3754/4.3=2...(7) HB3 LYS 114 - HB3 LYS 48 OK 16 72 - 22 - 1141/3.0=2, 3754/4.3=2...(7) HB2 LYS 76 - HB2 LYS 48 OK 11 85 - 13 - 1187/2.9=1, 1141/3.0=1 HB3 LYS 123 - HB2 LYS 48 lone 9 100 - 9 - 1187/2.9=1 HB2 LYS 76 - HB3 LYS 48 poor 8 68 - 12 - 1187/2.9=1, 1141/3.0=1 HB3 LYS 123 - HB3 LYS 48 lone 8 85 - 9 - 1187/2.9=1 HB3 LEU 66 - HB2 LYS 36 lone 7 72 - 9 - ~677=1 HB3 LEU 66 - HB2 LYS 48 lone 6 100 - 6 - HB3 LEU 66 - HB3 LYS 48 lone 5 85 - 6 - HG LEU 126 - HB2 LYS 48 lone 4 62 - 6 - HB3 LYS 114 - HB2 LYS 36 lone 4 60 - 6 - 10202/3.9=2 HG LEU 126 - HB3 LYS 48 lone 3 48 - 6 - HB2 LYS 76 - HB2 LYS 36 lone 1 56 - 2 - HG LEU 126 - HB2 LYS 36 lone 1 39 - 2 - HB3 LYS 123 - HB2 LYS 36 lone 1 72 - 1 - Peak 1154 from cnoeabs.peaks (1.60, 1.87, 31.89 ppm; 2.82 A): 6 out of 39 assignments used, quality = 1.00: * HG3 LYS 48 + HB2 LYS 48 OK 99 100 - 99 - 2.9=95, 1.8/1153=11...(70) HG3 LYS 48 + HB3 LYS 48 OK 86 87 - 99 - 2.9=95, 1185/1.8=10...(70) HG3 LYS 36 + HB2 LYS 36 OK 58 62 - 93 - 3.0=85, 2.9/718=7...(21) HG3 LYS 36 + HB2 LYS 48 OK 56 92 - 61 - 1.8/685=6, 696=5...(30) HG2 ARG 144 + HB2 LYS 48 OK 51 100 - 51 - 1.8/4912=7, 4903=6...(18) HG3 LYS 36 + HB3 LYS 48 OK 45 75 - 60 - 1.8/685=6, 696=5...(30) HG2 ARG 144 - HB3 LYS 48 OK 44 87 - 51 - 1.8/4912=6, 4903=6...(18) HG2 ARG 141 - HB2 LYS 48 OK 34 98 - 35 - 4903=4, 4903/1.8=3...(11) HG3 LYS 48 - HB2 LYS 36 OK 34 74 - 46 - 1185=6, 1.8/1174=4...(23) HG2 ARG 144 - HB2 LYS 36 OK 29 74 - 40 - 4903=5, 1.8/4912=5...(14) HG3 ARG 144 - HB2 LYS 48 OK 29 62 - 47 - 1.8/4903=4, 4912=4...(17) HG2 ARG 141 - HB3 LYS 48 OK 25 82 - 30 - 4903=4, 4903/1.8=3...(10) HG2 ARG 141 - HB2 LYS 36 OK 22 69 - 33 - 4903=4, ~679=2...(15) HG3 ARG 144 - HB3 LYS 48 OK 22 48 - 45 - 1.8/4903=4, 4912=4...(15) HB2 LEU 87 - HB2 LYS 48 OK 14 68 - 21 - 3.2/8891=3, ~10091=2...(8) HG3 ARG 144 - HB2 LYS 36 OK 13 39 - 33 - 3.0/4894=4, 1.8/4903=4...(12) HG LEU 108 - HB2 LYS 48 OK 12 96 - 13 - 3493/3.8=3, 1142/3.0=1...(4) HG3 ARG 49 - HB2 LYS 36 OK 12 46 - 25 - ~8195=7, ~676=2, ~660=2...(8) HB2 LEU 87 - HB3 LYS 48 OK 11 52 - 22 - 3.2/10091=3, ~10091=2...(9) HB2 LEU 97 - HB2 LYS 48 OK 11 99 - 11 - 1177/2.9=1 HG LEU 108 - HB3 LYS 48 OK 10 80 - 13 - 3493/3.8=3, 1142/3.0=1...(4) HG3 ARG 49 - HB2 LYS 48 poor 10 72 - 13 - 1274/4.3=3, 1142/3.0=1 HB2 LEU 97 - HB3 LYS 48 poor 9 84 - 11 - 1177/2.9=1 HB2 LEU 79 - HB2 LYS 36 poor 9 67 - 14 - 688/3.0=1, 677/1.8=1...(5) HG3 ARG 49 - HB3 LYS 48 poor 8 56 - 13 - 1274/4.3=3, 1142/3.0=1 HD2 LYS 61 - HB2 LYS 36 lone 3 62 - 5 - HD3 LYS 61 - HB2 LYS 36 lone 3 62 - 5 - HG LEU 108 - HB2 LYS 36 lone 3 67 - 5 - 10228/4.5=1 HB2 LEU 79 - HB2 LYS 48 lone 2 96 - 2 - HB2 LEU 97 - HB2 LYS 36 lone 2 71 - 3 - HB3 LEU 64 - HB2 LYS 48 lone 2 62 - 3 - HD2 LYS 61 - HB2 LYS 48 lone 2 92 - 2 - HD3 LYS 61 - HB2 LYS 48 lone 2 92 - 2 - HB2 LEU 79 - HB3 LYS 48 lone 2 80 - 2 - HD2 LYS 61 - HB3 LYS 48 lone 2 75 - 2 - HD3 LYS 61 - HB3 LYS 48 lone 2 75 - 2 - HB3 LEU 64 - HB3 LYS 48 lone 2 48 - 3 - HB2 LEU 87 - HB2 LYS 36 lone 1 43 - 2 - HB3 LEU 64 - HB2 LYS 36 lone 0 39 - 1 - Peak 1155 from cnoeabs.peaks (1.67, 1.87, 31.89 ppm; 2.66 A): 5 out of 39 assignments used, quality = 1.00: * HD2 LYS 48 + HB2 LYS 48 OK 91 100 - 91 - 3.6=40, 1198/2.9=9...(63) HD3 LYS 48 + HB2 LYS 48 OK 86 94 - 91 - 3.6=40, 1198/2.9=7...(63) HD2 LYS 48 + HB3 LYS 48 OK 79 87 - 91 - 3.6=40, 1198/2.9=9...(63) HD3 LYS 48 + HB3 LYS 48 OK 70 78 - 91 - 3.6=40, 1198/2.9=7...(63) HD2 LYS 93 + HB2 LYS 48 OK 46 77 - 60 - 1179/2.9=4, 1207=4...(26) HD2 LYS 93 - HB3 LYS 48 OK 34 61 - 57 - 1179/2.9=4, 1207=4...(23) HD3 LYS 93 - HB2 LYS 48 OK 34 62 - 55 - 1179/2.9=4, 1190/2.9=4...(23) HD3 LYS 93 - HB3 LYS 48 OK 24 48 - 50 - 1179/2.9=4, 1190/2.9=4...(18) HD2 LYS 48 - HB2 LYS 36 OK 17 74 - 23 - 3.0/1174=3, 3.0/1185=2...(9) HB2 MET 68 - HB2 LYS 36 OK 16 71 - 22 - ~679=2, ~679=2...(12) HD3 LYS 48 - HB2 LYS 36 OK 14 65 - 22 - 3.0/1174=3, 3.0/1185=2...(9) HB2 LYS 114 - HB2 LYS 48 OK 12 62 - 19 - 1.8/1153=2, 3.9/1159=2...(6) HB2 LYS 114 - HB3 LYS 48 poor 9 48 - 18 - 1.8/1153=2, 3.9/1159=1...(6) HD2 LYS 93 - HB2 LYS 36 poor 6 50 - 12 - 3072/3.0=1 HB2 MET 68 - HB2 LYS 48 lone 5 99 - 5 - HD3 LYS 93 - HB2 LYS 36 poor 5 39 - 11 - HG2 ARG 124 - HB2 LYS 36 lone 4 72 - 6 - HB2 MET 68 - HB3 LYS 48 lone 4 84 - 5 - HB VAL 71 - HB2 LYS 36 lone 3 74 - 4 - ~9894=1 HB2 ARG 145 - HB2 LYS 48 lone 2 100 - 2 - 4.0/7888=2 HB2 LEU 95 - HB2 LYS 48 lone 2 100 - 2 - HG2 ARG 124 - HB2 LYS 48 lone 2 100 - 2 - HG13 ILE 136 - HB2 LYS 48 lone 2 77 - 3 - HB2 ARG 145 - HB3 LYS 48 lone 2 85 - 2 - 4.0/7888=2 HG2 ARG 89 - HB2 LYS 48 lone 2 100 - 2 - HB2 LEU 95 - HB3 LYS 48 lone 2 87 - 2 - HG2 ARG 140 - HB2 LYS 48 lone 2 81 - 2 - HG2 ARG 124 - HB3 LYS 48 lone 2 85 - 2 - HG2 ARG 89 - HB2 LYS 36 lone 2 74 - 2 - HG2 ARG 89 - HB3 LYS 48 lone 2 87 - 2 - HG13 ILE 136 - HB3 LYS 48 lone 2 61 - 3 - HB VAL 71 - HB2 LYS 48 lone 1 100 - 1 - HG2 ARG 140 - HB3 LYS 48 lone 1 64 - 2 - HB2 LYS 114 - HB2 LYS 36 lone 1 39 - 4 - HG2 ARG 140 - HB2 LYS 36 lone 1 53 - 2 - HB2 ARG 145 - HB2 LYS 36 lone 1 72 - 1 - 4.0/7888=1 HB VAL 71 - HB3 LYS 48 lone 1 87 - 1 - HG13 ILE 136 - HB2 LYS 36 lone 1 50 - 1 - HB2 LEU 95 - HB2 LYS 36 lone 1 74 - 1 - Peak 1156 from cnoeabs.peaks (1.67, 1.87, 31.89 ppm; 2.75 A): 6 out of 33 assignments used, quality = 1.00: * HD3 LYS 48 + HB2 LYS 48 OK 93 100 - 93 - 3.6=45, 1190/2.9=8...(66) HD2 LYS 48 + HB2 LYS 48 OK 88 94 - 93 - 3.6=45, 1198/2.9=9...(66) HD3 LYS 48 + HB3 LYS 48 OK 80 87 - 93 - 3.6=45, 1190/2.9=8...(64) HD2 LYS 48 + HB3 LYS 48 OK 72 78 - 93 - 3.6=45, 1198/2.9=9...(64) HD2 LYS 93 + HB2 LYS 48 OK 64 98 - 65 - 1179/2.9=5, 1207=4...(31) HD2 LYS 93 + HB3 LYS 48 OK 51 82 - 62 - 1179/2.9=5, 1190/2.9=4...(28) HG3 ARG 141 - HB2 LYS 48 OK 25 85 - 29 - 1.8/4903=3, 4807/1.8=2...(11) HD3 LYS 48 - HB2 LYS 36 OK 18 74 - 24 - 3.0/1174=3, 3.0/1185=3...(10) HG3 ARG 141 - HB3 LYS 48 OK 16 68 - 24 - 1.8/4903=3, 1190/2.9=2...(8) HD2 LYS 48 - HB2 LYS 36 OK 16 65 - 24 - 3.0/1174=3, 3.0/1185=3...(10) HG3 ARG 141 - HB2 LYS 36 OK 15 56 - 27 - 1.8/4903=3, ~679=2...(12) HB2 MET 68 - HB2 LYS 36 OK 12 53 - 23 - ~679=2, ~679=2, ~673=2...(13) HD2 LYS 93 - HB2 LYS 36 poor 10 69 - 14 - 3072/3.0=2 HG LEU 97 - HB2 LYS 48 lone 7 81 - 8 - ~10132=1 HG LEU 97 - HB3 LYS 48 lone 5 64 - 8 - HB2 MET 68 - HB2 LYS 48 lone 4 81 - 5 - HG2 ARG 124 - HB2 LYS 36 lone 3 56 - 6 - HB2 MET 68 - HB3 LYS 48 lone 3 64 - 4 - HB2 ARG 145 - HB2 LYS 48 lone 3 99 - 3 - 4.0/7888=2 HB VAL 71 - HB2 LYS 36 lone 2 65 - 4 - ~9894=2 HB2 ARG 145 - HB3 LYS 48 lone 2 84 - 3 - 4.0/7888=2 HB2 LEU 95 - HB2 LYS 48 lone 2 94 - 2 - HG2 ARG 89 - HB2 LYS 48 lone 2 94 - 2 - HG2 ARG 124 - HB2 LYS 48 lone 2 85 - 2 - HB2 LEU 95 - HB3 LYS 48 lone 2 78 - 2 - HG2 ARG 89 - HB2 LYS 36 lone 2 65 - 2 - HG2 ARG 89 - HB3 LYS 48 lone 1 78 - 2 - HG2 ARG 124 - HB3 LYS 48 lone 1 68 - 2 - HB VAL 71 - HB2 LYS 48 lone 1 94 - 1 - HB2 ARG 145 - HB2 LYS 36 lone 1 71 - 2 - 4.0/7888=1 HG LEU 97 - HB2 LYS 36 lone 1 53 - 2 - HB VAL 71 - HB3 LYS 48 lone 1 78 - 1 - HB2 LEU 95 - HB2 LYS 36 lone 1 65 - 1 - Peak 1157 from cnoeabs.peaks (2.95, 1.87, 31.89 ppm; 3.72 A): 12 out of 30 assignments used, quality = 1.00: * HE2 LYS 48 + HB2 LYS 48 OK 96 100 - 96 - 4.9=44, 3.6/1153=10...(85) HE3 LYS 48 + HB2 LYS 48 OK 95 99 - 96 - 4.9=44, 3.6/1153=10...(83) HE2 LYS 48 + HB3 LYS 48 OK 83 87 - 96 - 4.9=44, 3.6/1174=9...(79) HE2 LYS 93 + HB2 LYS 48 OK 81 100 - 81 - 1191/2.9=5, 1180/2.9=5...(75) HE3 LYS 48 + HB3 LYS 48 OK 80 84 - 96 - 4.9=44, 3.6/1174=9...(79) HE2 LYS 93 + HB3 LYS 48 OK 68 87 - 79 - 1191/2.9=5, 1180/2.9=5...(71) HE3 LYS 93 + HB2 LYS 48 OK 68 81 - 83 - 1191/2.9=5, 1181/2.9=4...(87) HE2 LYS 85 + HB2 LYS 48 OK 68 100 - 68 - 3.5/2607=4, 3.5/2618=4...(45) HE3 LYS 85 + HB2 LYS 48 OK 64 94 - 67 - 3.5/2607=4, 3.5/2618=4...(49) HE2 LYS 85 + HB3 LYS 48 OK 57 86 - 67 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 93 + HB3 LYS 48 OK 52 64 - 81 - 1191/2.9=5, 1181/2.9=4...(83) HE3 LYS 85 + HB3 LYS 48 OK 51 78 - 66 - 1191/2.9=4, 1180/2.9=4...(50) HB2 PHE 106 - HB2 LYS 48 OK 25 100 - 25 - 3431/3.0=3, ~11130=2...(14) HB2 PHE 106 - HB3 LYS 48 OK 21 87 - 24 - 3431/3.0=3, ~11130=2...(15) HE2 LYS 48 - HB2 LYS 36 OK 19 74 - 25 - 3.6/1174=4, 3.6/1185=4...(7) HE3 LYS 48 - HB2 LYS 36 OK 17 71 - 24 - 3.6/1174=4, 3.6/1185=4...(7) HB3 PHE 67 - HB2 LYS 36 OK 13 74 - 17 - ~680=2, ~681=2, ~655=2...(10) HE2 LYS 85 - HB2 LYS 36 OK 12 73 - 16 - ~677=1, 3.5/2607=1, 3.5/2618=1 HB2 TYR 115 - HB2 LYS 48 OK 11 100 - 11 - ~10216=2, 4.5/10814=2...(4) HB2 TYR 115 - HB2 LYS 36 OK 11 74 - 15 - 4.5/10814=6, ~10784=4...(4) HE2 LYS 93 - HB2 LYS 36 OK 10 74 - 14 - ~3072=1 HB2 TYR 115 - HB3 LYS 48 OK 10 87 - 12 - 4.5/10814=2, ~10216=2...(4) HE3 LYS 85 - HB2 LYS 36 OK 10 65 - 15 - ~677=1, 3.5/2607=1, 3.5/2618=1 HE3 LYS 93 - HB2 LYS 36 poor 7 53 - 13 - ~3072=1 HB3 PHE 67 - HB2 LYS 48 lone 4 100 - 4 - HB2 PHE 106 - HB2 LYS 36 lone 3 74 - 5 - ~9230=1 HB3 PHE 67 - HB3 LYS 48 lone 3 87 - 4 - HB3 ASN 130 - HB2 LYS 36 lone 1 39 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 0 62 - 1 - HB3 ASN 130 - HB3 LYS 48 lone 0 48 - 1 - Peak 1158 from cnoeabs.peaks (2.95, 1.87, 31.89 ppm; 3.72 A): 12 out of 36 assignments used, quality = 1.00: * HE3 LYS 48 + HB2 LYS 48 OK 96 100 - 96 - 4.9=44, 3.6/1153=10...(83) HE2 LYS 48 + HB2 LYS 48 OK 95 99 - 96 - 4.9=44, 3.6/1153=10...(85) HE3 LYS 48 + HB3 LYS 48 OK 83 87 - 96 - 4.9=44, 3.6/1174=9...(79) HE2 LYS 93 + HB2 LYS 48 OK 80 100 - 81 - 1191/2.9=5, 1180/2.9=5...(75) HE2 LYS 48 + HB3 LYS 48 OK 80 84 - 96 - 4.9=44, 3.6/1174=9...(79) HE3 LYS 93 + HB2 LYS 48 OK 79 94 - 84 - 1192/2.9=5, 1181/2.9=4...(87) HE2 LYS 85 + HB2 LYS 48 OK 67 100 - 68 - 3.5/2607=4, 3.5/2618=4...(45) HE3 LYS 85 + HB2 LYS 48 OK 67 100 - 67 - 3.5/2607=4, 3.5/2618=4...(49) HE2 LYS 93 + HB3 LYS 48 OK 67 85 - 78 - 1191/2.9=5, 1180/2.9=5...(71) HE3 LYS 93 + HB3 LYS 48 OK 63 78 - 82 - 1192/2.9=5, 1181/2.9=4...(83) HE2 LYS 85 + HB3 LYS 48 OK 57 86 - 67 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 85 + HB3 LYS 48 OK 57 85 - 66 - 1191/2.9=4, 1180/2.9=4...(50) HB2 PHE 106 - HB2 LYS 48 OK 24 98 - 25 - 3431/3.0=3, ~11130=2...(14) HB2 PHE 106 - HB3 LYS 48 OK 20 82 - 24 - 3431/3.0=3, ~11130=2...(15) HE3 LYS 48 - HB2 LYS 36 OK 18 74 - 24 - 3.6/1174=4, 3.6/1185=4...(7) HE2 LYS 48 - HB2 LYS 36 OK 18 71 - 25 - 3.6/1174=4, 3.6/1185=4...(7) HE2 LYS 85 - HB2 LYS 36 OK 12 73 - 16 - ~677=1, 3.5/2607=1, 3.5/2618=1 HB3 PHE 67 - HB2 LYS 36 OK 12 69 - 17 - ~680=2, ~681=2, ~655=2...(10) HE3 LYS 85 - HB2 LYS 36 OK 11 72 - 16 - ~677=1, 3.5/2607=1, 3.5/2618=1 HB2 TYR 115 - HB2 LYS 48 OK 11 99 - 11 - ~10216=2, 4.5/10814=2...(4) HB2 TYR 115 - HB2 LYS 36 OK 11 71 - 15 - 4.5/10814=6, ~10784=4...(4) HE2 LYS 93 - HB2 LYS 36 OK 10 72 - 14 - ~3072=1 HB2 TYR 115 - HB3 LYS 48 poor 10 84 - 12 - 4.5/10814=2, ~10216=2...(4) HE3 LYS 93 - HB2 LYS 36 poor 9 65 - 13 - ~3072=1, 3105/3.0=1 HB3 PHE 67 - HB2 LYS 48 lone 4 98 - 4 - HB2 PHE 106 - HB2 LYS 36 lone 3 69 - 4 - ~9230=1 HB3 PHE 67 - HB3 LYS 48 lone 3 82 - 4 - HE3 LYS 61 - HB2 LYS 48 lone 3 77 - 4 - HE2 LYS 61 - HB2 LYS 48 lone 3 77 - 4 - HE3 LYS 61 - HB2 LYS 36 lone 3 50 - 6 - HE2 LYS 61 - HB2 LYS 36 lone 3 50 - 6 - HE3 LYS 61 - HB3 LYS 48 lone 2 61 - 4 - HE2 LYS 61 - HB3 LYS 48 lone 2 61 - 3 - HB3 ASN 130 - HB2 LYS 36 lone 1 53 - 2 - HB3 ASN 130 - HB2 LYS 48 lone 1 81 - 1 - HB3 ASN 130 - HB3 LYS 48 lone 0 64 - 1 - Peak 1159 from cnoeabs.peaks (7.39, 1.87, 31.89 ppm; 3.45 A): 3 out of 9 assignments used, quality = 0.95: * H ARG 49 + HB2 LYS 48 OK 76 100 - 76 - 4.3=52, 6451/3.8=13...(10) H ARG 49 + HB3 LYS 48 OK 66 87 - 76 - 4.3=52, 6451/3.8=13...(10) H LYS 114 + HB2 LYS 48 OK 37 100 - 38 - 6451/3.8=7, 1147/3.0=7...(11) H LYS 114 - HB3 LYS 48 OK 32 86 - 37 - 6451/3.8=7, 1147/3.0=7...(11) H ARG 49 - HB2 LYS 36 OK 14 74 - 18 - 3.6/1139=3, 6455=3...(8) H ASP 41 - HB2 LYS 48 lone 5 92 - 5 - 1147/3.0=1, 6451/3.8=1 H LYS 114 - HB2 LYS 36 lone 4 73 - 6 - H ASP 41 - HB3 LYS 48 lone 4 75 - 5 - 1147/3.0=1, 6451/3.8=1 H ASP 41 - HB2 LYS 36 lone 1 62 - 2 - 3.6/10790=1 Peak 1160 from cnoeabs.peaks (4.22, 1.87, 31.89 ppm; 2.93 A): 8 out of 21 assignments used, quality = 0.87: HA LYS 85 + HB3 LYS 48 OK 29 96 - 30 - 2572/1.8=4, 2572=2...(14) * HA PHE 45 + HB3 LYS 48 OK 28 100 - 28 - 1019/3.8=9, 1021=8...(7) HA LYS 93 + HB3 LYS 48 OK 25 100 - 25 - 3016/3.6=3, 10469/2.9=3...(11) HA LYS 85 + HB2 LYS 48 OK 24 80 - 30 - 2572=3, 2572/1.8=3...(13) HA PHE 45 + HB2 LYS 48 OK 24 87 - 28 - 1019/3.8=9, 1020=8...(7) HA LYS 93 + HB2 LYS 48 OK 23 87 - 26 - 3016/3.6=3, 10469/2.9=3...(10) HA PHE 45 + HB2 LYS 36 OK 14 80 - 17 - 1021=5, 1015/4.5=2...(7) HA ILE 101 + HB3 LYS 48 OK 12 98 - 12 - 1021=3, 1020/1.8=2, 1019/3.8=2 HA ILE 101 - HB2 LYS 48 poor 10 82 - 12 - 1020=3, 1021/1.8=2, 1019/3.8=2 HA LYS 93 - HB2 LYS 36 lone 8 80 - 10 - 3015/3.0=2 HA LYS 85 - HB2 LYS 36 lone 7 73 - 10 - HA ALA 134 - HB3 LYS 48 lone 6 92 - 7 - 2.1/10321=2, ~10321=2 HA ALA 134 - HB2 LYS 48 lone 5 75 - 7 - 2.1/10321=3, ~10321=2 HA THR 102 - HB3 LYS 48 lone 4 100 - 4 - HA THR 102 - HB2 LYS 48 lone 3 85 - 3 - HB THR 102 - HB3 LYS 48 lone 2 62 - 3 - HA ILE 101 - HB2 LYS 36 lone 1 75 - 2 - HA ALA 134 - HB2 LYS 36 lone 1 68 - 2 - HB THR 102 - HB2 LYS 48 lone 1 48 - 3 - HA THR 102 - HB2 LYS 36 lone 1 78 - 1 - HB THR 102 - HB2 LYS 36 lone 0 43 - 1 - Peak 1161 from cnoeabs.peaks (8.51, 1.87, 31.89 ppm; 3.00 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 48 + HB3 LYS 48 OK 87 100 - 87 - 3.8=48, 6443/1.8=15...(27) H LYS 48 + HB2 LYS 48 OK 75 87 - 87 - 3.8=48, 6443/1.8=15...(27) H LEU 108 - HB3 LYS 48 OK 24 100 - 24 - 1183/2.9=5, 1172/2.9=5...(7) H LEU 108 - HB2 LYS 48 OK 20 85 - 24 - 1183/2.9=5, 1172/2.9=5...(7) H LYS 48 - HB2 LYS 36 OK 13 80 - 17 - 6444=3, 1183/3.0=3...(5) H LEU 108 - HB2 LYS 36 lone 2 78 - 3 - Peak 1162 from cnoeabs.peaks (3.95, 1.87, 31.89 ppm; 2.96 A): 2 out of 21 assignments used, quality = 1.00: * HA LYS 48 + HB3 LYS 48 OK 99 100 - 99 - 3.0=95, 1141/2.9=16...(32) HA LYS 48 + HB2 LYS 48 OK 86 87 - 99 - 3.0=95, 1141/2.9=16...(32) HA LYS 48 - HB2 LYS 36 OK 27 80 - 34 - 1140=5, 1184/3.0=3...(17) HA PHE 106 - HB3 LYS 48 OK 19 98 - 20 - 1173/2.9=3, 1184/2.9=3...(7) HA PHE 106 - HB2 LYS 48 OK 16 82 - 20 - 1173/2.9=3, 1184/2.9=3...(7) HB3 SER 103 - HB3 LYS 48 poor 9 89 - 10 - 1173/2.9=2, 1184/2.9=1 HA ALA 60 - HB3 LYS 48 lone 8 100 - 8 - 1173/2.9=1, 1184/2.9=1 HA3 GLY 94 - HB3 LYS 48 lone 8 100 - 8 - 1173/2.9=2, 1184/2.9=1 HB3 SER 103 - HB2 LYS 48 poor 7 72 - 10 - 1173/2.9=2, 1184/2.9=1 HA ALA 60 - HB2 LYS 48 lone 7 85 - 8 - 1173/2.9=1, 1184/2.9=1 HA3 GLY 94 - HB2 LYS 48 lone 7 85 - 8 - 1173/2.9=2, 1184/2.9=1 HD3 PRO 129 - HB3 LYS 48 lone 3 81 - 4 - 6454/4.3=1 HA LEU 29 - HB3 LYS 48 lone 3 77 - 3 - HD3 PRO 129 - HB2 LYS 48 lone 2 64 - 4 - 6454/4.3=1 HA PHE 106 - HB2 LYS 36 lone 2 75 - 3 - HD3 PRO 129 - HB2 LYS 36 lone 2 58 - 3 - HA LEU 29 - HB2 LYS 48 lone 2 61 - 3 - HA3 GLY 94 - HB2 LYS 36 lone 1 78 - 1 - HA LEU 29 - HB2 LYS 36 lone 1 54 - 2 - HA ALA 60 - HB2 LYS 36 lone 1 78 - 1 - HB3 SER 103 - HB2 LYS 36 lone 1 65 - 1 - Peak 1163 from cnoeabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 48 + HB3 LYS 48 OK 96 96 - 100 HB2 LYS 48 + HB2 LYS 48 OK 87 87 - 100 HB2 LYS 36 + HB2 LYS 36 OK 77 77 - 100 Reference assignment not found: HB2 LYS 48 - HB3 LYS 48 Peak 1164 from cnoeabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 48 + HB3 LYS 48 OK 100 100 - 100 HB2 LYS 48 + HB2 LYS 48 OK 80 80 - 100 HB2 LYS 36 + HB2 LYS 36 OK 79 79 - 100 Peak 1165 from cnoeabs.peaks (1.45, 1.87, 31.89 ppm; 2.76 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 48 + HB3 LYS 48 OK 98 100 - 98 - 2.9=89, 1141/3.0=13...(70) HG2 LYS 48 + HB2 LYS 48 OK 85 87 - 98 - 2.9=89, 1141/3.0=13...(70) HG2 LYS 48 - HB2 LYS 36 OK 33 80 - 41 - 1174=6, 1.8/1186=4...(21) HB3 LYS 114 - HB3 LYS 48 OK 21 89 - 23 - 1141/3.0=3, 3754/4.3=3...(7) HB3 LYS 114 - HB2 LYS 48 OK 16 72 - 23 - 1141/3.0=3, 3754/4.3=3...(7) HB2 LYS 76 - HB3 LYS 48 OK 11 85 - 13 - 1141/3.0=1, 1187/2.9=1 HB3 LYS 123 - HB3 LYS 48 OK 10 100 - 10 - 1187/2.9=1 HB3 LYS 123 - HB2 LYS 48 lone 8 85 - 10 - 1187/2.9=1 HB2 LYS 76 - HB2 LYS 48 poor 8 68 - 12 - 1141/3.0=1, 1187/2.9=1 HB3 LEU 66 - HB2 LYS 36 poor 8 78 - 10 - ~677=1 HB3 LEU 66 - HB3 LYS 48 lone 6 100 - 6 - HB3 LEU 66 - HB2 LYS 48 lone 5 85 - 6 - HB3 LYS 114 - HB2 LYS 36 lone 4 65 - 7 - 10202/3.9=2 HG LEU 126 - HB3 LYS 48 lone 4 62 - 6 - HG LEU 126 - HB2 LYS 48 lone 3 48 - 6 - HB2 LYS 76 - HB2 LYS 36 lone 1 62 - 2 - HB3 LYS 123 - HB2 LYS 36 lone 1 78 - 1 - HG LEU 126 - HB2 LYS 36 lone 1 43 - 1 - Peak 1166 from cnoeabs.peaks (1.60, 1.87, 31.89 ppm; 2.92 A): 7 out of 39 assignments used, quality = 1.00: * HG3 LYS 48 + HB3 LYS 48 OK 100 100 - 100 - 2.9=100 HG3 LYS 48 + HB2 LYS 48 OK 87 87 - 100 - 2.9=100 HG3 LYS 36 + HB2 LYS 36 OK 66 68 - 98 - 3.0=95, 2.9/718=8...(22) HG3 LYS 36 + HB3 LYS 48 OK 59 92 - 64 - 1.8/685=6, 696=6...(33) HG2 ARG 144 + HB3 LYS 48 OK 54 100 - 54 - 1.8/4912=7, 4903=6...(20) HG3 LYS 36 + HB2 LYS 48 OK 48 75 - 65 - 1.8/685=6, 696=6...(31) HG2 ARG 144 + HB2 LYS 48 OK 46 87 - 54 - 1.8/4912=7, 4903=6...(20) HG3 LYS 48 - HB2 LYS 36 OK 38 80 - 48 - 1186=6, 695/3.0=4...(24) HG2 ARG 141 - HB3 LYS 48 OK 34 98 - 35 - 4903=4, 4903/1.8=3...(12) HG2 ARG 144 - HB2 LYS 36 OK 34 79 - 42 - 1.8/4912=5, 4903=5...(14) HG2 ARG 141 - HB2 LYS 48 OK 30 82 - 37 - 4903=4, 4903/1.8=3...(14) HG3 ARG 144 - HB3 LYS 48 OK 30 62 - 48 - 1.8/4903=5, 3.0/4894=4...(17) HG2 ARG 141 - HB2 LYS 36 OK 27 75 - 36 - 4903=4, ~679=3...(18) HG3 ARG 144 - HB2 LYS 48 OK 24 48 - 49 - 1.8/4903=5, 3.0/4894=4...(19) HB2 LEU 87 - HB3 LYS 48 OK 17 68 - 24 - 3.2/10091=4, 3.1/10091=2...(9) HG3 ARG 144 - HB2 LYS 36 OK 15 43 - 35 - 3.0/4894=4, 1.8/4903=4...(12) HG3 ARG 49 - HB2 LYS 36 OK 14 51 - 28 - ~8195=7, ~676=2, ~660=2...(11) HG LEU 108 - HB3 LYS 48 OK 13 96 - 14 - 3493/3.8=3, 1142/3.0=2...(5) HB2 LEU 97 - HB3 LYS 48 OK 13 99 - 13 - 3.2/10132=1, 1177/2.9=1 HB2 LEU 87 - HB2 LYS 48 OK 12 52 - 23 - 3.2/10091=3, ~10091=2...(9) HB2 LEU 79 - HB2 LYS 36 OK 11 73 - 15 - 677/1.8=1, 688/3.0=1...(5) HG LEU 108 - HB2 LYS 48 OK 11 80 - 14 - 3493/3.8=3, 1142/3.0=2...(4) HG3 ARG 49 - HB3 LYS 48 OK 11 72 - 15 - 1274/4.3=3, 1142/3.0=1...(4) HB2 LEU 97 - HB2 LYS 48 OK 11 84 - 13 - 1177/2.9=1 HG3 ARG 49 - HB2 LYS 48 poor 8 56 - 15 - 1274/4.3=3, 1142/3.0=1...(4) HD2 LYS 61 - HB2 LYS 36 lone 4 68 - 6 - HD3 LYS 61 - HB2 LYS 36 lone 4 68 - 5 - HG LEU 108 - HB2 LYS 36 lone 4 73 - 5 - 10228/4.5=2 HB2 LEU 97 - HB2 LYS 36 lone 3 77 - 4 - HB3 LEU 64 - HB3 LYS 48 lone 3 62 - 4 - HB2 LEU 79 - HB3 LYS 48 lone 3 96 - 3 - HD2 LYS 61 - HB3 LYS 48 lone 2 92 - 2 - HD3 LYS 61 - HB3 LYS 48 lone 2 92 - 2 - HB2 LEU 79 - HB2 LYS 48 lone 2 80 - 3 - HB3 LEU 64 - HB2 LYS 48 lone 2 48 - 4 - HD2 LYS 61 - HB2 LYS 48 lone 2 75 - 2 - HD3 LYS 61 - HB2 LYS 48 lone 2 75 - 2 - HB2 LEU 87 - HB2 LYS 36 lone 1 47 - 2 - HB3 LEU 64 - HB2 LYS 36 lone 1 43 - 2 - Peak 1167 from cnoeabs.peaks (1.67, 1.87, 31.89 ppm; 2.73 A): 5 out of 39 assignments used, quality = 1.00: * HD2 LYS 48 + HB3 LYS 48 OK 92 100 - 92 - 3.6=44, 1198/2.9=9...(64) HD3 LYS 48 + HB3 LYS 48 OK 87 94 - 92 - 3.6=44, 1198/2.9=8...(64) HD2 LYS 48 + HB2 LYS 48 OK 80 87 - 93 - 3.6=44, 1198/2.9=9...(66) HD3 LYS 48 + HB2 LYS 48 OK 72 78 - 92 - 3.6=44, 1198/2.9=8...(66) HD2 LYS 93 + HB3 LYS 48 OK 46 77 - 59 - 1179/2.9=5, 1208=3...(27) HD2 LYS 93 - HB2 LYS 48 OK 37 61 - 62 - 1179/2.9=5, 1207=4...(26) HD3 LYS 93 - HB3 LYS 48 OK 33 62 - 53 - 1179/2.9=4, 1190/2.9=4...(23) HD3 LYS 93 - HB2 LYS 48 OK 27 48 - 56 - 1179/2.9=4, 1190/2.9=4...(24) HD2 LYS 48 - HB2 LYS 36 OK 19 80 - 24 - 3.0/1174=3, 3.0/1186=2...(9) HB2 MET 68 - HB2 LYS 36 OK 18 77 - 23 - ~679=2, ~679=2...(13) HD3 LYS 48 - HB2 LYS 36 OK 16 71 - 23 - 3.0/1174=3, 3.0/1186=2...(9) HB2 LYS 114 - HB3 LYS 48 OK 12 62 - 20 - 1.8/1165=2, 3.9/1171=2...(8) HB2 LYS 114 - HB2 LYS 48 poor 9 48 - 19 - 1.8/1165=2, 3.9/1171=1...(8) HD2 LYS 93 - HB2 LYS 36 poor 7 54 - 13 - 3072/3.0=1 HD3 LYS 93 - HB2 LYS 36 poor 5 43 - 12 - HB2 MET 68 - HB3 LYS 48 lone 5 99 - 5 - HG2 ARG 124 - HB2 LYS 36 lone 5 78 - 6 - HB2 MET 68 - HB2 LYS 48 lone 5 84 - 5 - HB VAL 71 - HB2 LYS 36 lone 3 80 - 4 - ~9894=2 HB2 ARG 145 - HB3 LYS 48 lone 3 100 - 3 - 4.0/7888=2 HB2 LEU 95 - HB3 LYS 48 lone 2 100 - 2 - HG13 ILE 136 - HB3 LYS 48 lone 2 77 - 3 - HG2 ARG 124 - HB3 LYS 48 lone 2 100 - 2 - HB2 ARG 145 - HB2 LYS 48 lone 2 85 - 3 - 4.0/7888=2 HG2 ARG 89 - HB3 LYS 48 lone 2 100 - 2 - HB2 LEU 95 - HB2 LYS 48 lone 2 87 - 2 - HG2 ARG 140 - HB3 LYS 48 lone 2 81 - 2 - HG2 ARG 89 - HB2 LYS 36 lone 2 80 - 2 - HG2 ARG 124 - HB2 LYS 48 lone 2 85 - 2 - HG2 ARG 89 - HB2 LYS 48 lone 2 87 - 2 - HG13 ILE 136 - HB2 LYS 48 lone 2 61 - 3 - HB2 LYS 114 - HB2 LYS 36 lone 2 43 - 4 - HG2 ARG 140 - HB2 LYS 36 lone 1 58 - 3 - HG2 ARG 140 - HB2 LYS 48 lone 1 64 - 2 - HB VAL 71 - HB3 LYS 48 lone 1 100 - 1 - HB2 ARG 145 - HB2 LYS 36 lone 1 78 - 2 - 4.0/7888=1 HB VAL 71 - HB2 LYS 48 lone 1 87 - 1 - HG13 ILE 136 - HB2 LYS 36 lone 1 54 - 2 - HB2 LEU 95 - HB2 LYS 36 lone 1 80 - 1 - Peak 1168 from cnoeabs.peaks (1.67, 1.87, 31.89 ppm; 2.81 A): 6 out of 33 assignments used, quality = 1.00: * HD3 LYS 48 + HB3 LYS 48 OK 94 100 - 94 - 3.6=48, 1190/2.9=8...(66) HD2 LYS 48 + HB3 LYS 48 OK 88 94 - 94 - 3.6=48, 1198/2.9=9...(66) HD3 LYS 48 + HB2 LYS 48 OK 82 87 - 94 - 3.6=48, 1190/2.9=8...(67) HD2 LYS 48 + HB2 LYS 48 OK 73 78 - 94 - 3.6=48, 1198/2.9=9...(67) HD2 LYS 93 + HB3 LYS 48 OK 63 98 - 65 - 1179/2.9=5, 1190/2.9=4...(33) HD2 LYS 93 + HB2 LYS 48 OK 55 82 - 67 - 1179/2.9=5, 1190/2.9=4...(34) HG3 ARG 141 - HB3 LYS 48 OK 24 85 - 28 - 1.8/4903=3, 1190/2.9=2...(10) HG3 ARG 141 - HB2 LYS 48 OK 21 68 - 31 - 1.8/4903=3, 4807/1.8=2...(12) HD3 LYS 48 - HB2 LYS 36 OK 20 80 - 25 - 3.0/1174=3, 3.0/1186=3...(10) HG3 ARG 141 - HB2 LYS 36 OK 18 62 - 30 - 1.8/4903=3, ~679=2...(13) HD2 LYS 48 - HB2 LYS 36 OK 18 71 - 25 - 3.0/1174=3, 3.0/1186=3...(10) HB2 MET 68 - HB2 LYS 36 OK 14 58 - 24 - ~679=3, ~679=2...(15) HD2 LYS 93 - HB2 LYS 36 OK 11 75 - 15 - 3072/3.0=2 HG LEU 97 - HB3 LYS 48 lone 8 81 - 10 - 2.1/10132=1 HG LEU 97 - HB2 LYS 48 lone 6 64 - 9 - ~10132=1 HB2 MET 68 - HB3 LYS 48 lone 4 81 - 5 - HG2 ARG 124 - HB2 LYS 36 lone 4 62 - 6 - HB2 MET 68 - HB2 LYS 48 lone 3 64 - 5 - HB VAL 71 - HB2 LYS 36 lone 3 71 - 4 - ~9894=2 HB2 ARG 145 - HB3 LYS 48 lone 3 99 - 3 - 4.0/7888=2 HB2 ARG 145 - HB2 LYS 48 lone 2 84 - 3 - 4.0/7888=2 HB2 LEU 95 - HB3 LYS 48 lone 2 94 - 2 - HG2 ARG 89 - HB3 LYS 48 lone 2 94 - 2 - HG2 ARG 124 - HB3 LYS 48 lone 2 85 - 2 - HG2 ARG 89 - HB2 LYS 36 lone 2 71 - 2 - HB2 LEU 95 - HB2 LYS 48 lone 2 78 - 2 - HG2 ARG 89 - HB2 LYS 48 lone 2 78 - 2 - HG LEU 97 - HB2 LYS 36 lone 1 58 - 3 - HG2 ARG 124 - HB2 LYS 48 lone 1 68 - 2 - HB2 ARG 145 - HB2 LYS 36 lone 1 77 - 2 - 4.0/7888=1 HB VAL 71 - HB3 LYS 48 lone 1 94 - 1 - HB VAL 71 - HB2 LYS 48 lone 1 78 - 1 - HB2 LEU 95 - HB2 LYS 36 lone 1 71 - 1 - Peak 1169 from cnoeabs.peaks (2.95, 1.87, 31.89 ppm; 3.80 A): 12 out of 30 assignments used, quality = 1.00: * HE2 LYS 48 + HB3 LYS 48 OK 96 100 - 96 - 4.9=47, 3.6/1165=10...(79) HE3 LYS 48 + HB3 LYS 48 OK 95 99 - 96 - 4.9=47, 3.6/1165=10...(79) HE2 LYS 48 + HB2 LYS 48 OK 84 87 - 97 - 4.9=47, 3.6/1174=9...(85) HE3 LYS 48 + HB2 LYS 48 OK 81 84 - 97 - 4.9=47, 3.6/1174=9...(83) HE2 LYS 93 + HB3 LYS 48 OK 80 100 - 81 - 1191/2.9=5, 1180/2.9=5...(73) HE2 LYS 93 + HB2 LYS 48 OK 71 87 - 82 - 1191/2.9=5, 1180/2.9=5...(78) HE3 LYS 93 + HB3 LYS 48 OK 68 81 - 83 - 1191/2.9=5, 1181/2.9=5...(83) HE2 LYS 85 + HB3 LYS 48 OK 67 100 - 68 - 1180/2.9=4, 1191/2.9=4...(47) HE3 LYS 85 + HB3 LYS 48 OK 63 94 - 67 - 1191/2.9=4, 1180/2.9=4...(54) HE2 LYS 85 + HB2 LYS 48 OK 58 86 - 68 - 1180/2.9=4, 1191/2.9=4...(46) HE3 LYS 93 + HB2 LYS 48 OK 54 64 - 84 - 1191/2.9=5, 1181/2.9=5...(86) HE3 LYS 85 + HB2 LYS 48 OK 52 78 - 67 - 1191/2.9=4, 1180/2.9=4...(50) HB2 PHE 106 - HB3 LYS 48 OK 26 100 - 26 - 3431/3.0=3, ~11130=2...(16) HB2 PHE 106 - HB2 LYS 48 OK 22 87 - 25 - 3431/3.0=3, ~11130=2...(16) HE2 LYS 48 - HB2 LYS 36 OK 20 80 - 26 - 3.6/1174=4, 3.6/1186=4...(8) HE3 LYS 48 - HB2 LYS 36 OK 19 77 - 25 - 3.6/1174=4, 3.6/1186=4...(8) HB3 PHE 67 - HB2 LYS 36 OK 14 79 - 18 - ~680=2, ~681=2, ~655=2...(10) HB2 TYR 115 - HB3 LYS 48 OK 13 100 - 13 - 4.5/10814=3, ~10216=2...(4) HB2 TYR 115 - HB2 LYS 36 OK 13 80 - 17 - 4.5/10814=7, ~10784=5...(4) HE2 LYS 85 - HB2 LYS 36 OK 13 79 - 16 - ~677=2 HE2 LYS 93 - HB2 LYS 36 OK 12 79 - 15 - ~3072=1 HB2 TYR 115 - HB2 LYS 48 OK 11 87 - 12 - 4.5/10814=2, ~10216=2...(4) HE3 LYS 85 - HB2 LYS 36 OK 11 71 - 15 - ~677=2 HE3 LYS 93 - HB2 LYS 36 poor 8 58 - 13 - ~3072=1 HB3 PHE 67 - HB3 LYS 48 lone 4 100 - 4 - HB2 PHE 106 - HB2 LYS 36 lone 4 79 - 5 - ~9230=1 HB3 PHE 67 - HB2 LYS 48 lone 4 87 - 4 - HB3 ASN 130 - HB2 LYS 36 lone 1 43 - 2 - HB3 ASN 130 - HB3 LYS 48 lone 1 62 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 0 48 - 1 - Peak 1170 from cnoeabs.peaks (2.95, 1.87, 31.89 ppm; 3.80 A): 12 out of 36 assignments used, quality = 1.00: * HE3 LYS 48 + HB3 LYS 48 OK 96 100 - 96 - 4.9=47, 3.6/1165=10...(79) HE2 LYS 48 + HB3 LYS 48 OK 95 99 - 96 - 4.9=47, 3.6/1165=10...(79) HE3 LYS 48 + HB2 LYS 48 OK 84 87 - 97 - 4.9=47, 3.6/1174=9...(83) HE2 LYS 48 + HB2 LYS 48 OK 81 84 - 97 - 4.9=47, 3.6/1174=9...(85) HE2 LYS 93 + HB3 LYS 48 OK 80 100 - 81 - 1191/2.9=5, 1180/2.9=5...(73) HE3 LYS 93 + HB3 LYS 48 OK 79 94 - 84 - 1192/2.9=5, 1181/2.9=5...(83) HE2 LYS 93 + HB2 LYS 48 OK 70 85 - 82 - 1191/2.9=5, 1180/2.9=5...(78) HE2 LYS 85 + HB3 LYS 48 OK 67 100 - 67 - 1180/2.9=4, 1191/2.9=4...(47) HE3 LYS 85 + HB3 LYS 48 OK 67 100 - 67 - 1191/2.9=4, 1180/2.9=4...(55) HE3 LYS 93 + HB2 LYS 48 OK 65 78 - 84 - 1192/2.9=5, 1181/2.9=5...(86) HE2 LYS 85 + HB2 LYS 48 OK 58 86 - 68 - 1180/2.9=4, 1191/2.9=4...(46) HE3 LYS 85 + HB2 LYS 48 OK 57 85 - 67 - 1191/2.9=4, 1180/2.9=4...(50) HB2 PHE 106 - HB3 LYS 48 OK 25 98 - 25 - 3431/3.0=3, ~11130=2...(16) HB2 PHE 106 - HB2 LYS 48 OK 21 82 - 25 - 3431/3.0=3, ~11130=2...(16) HE2 LYS 48 - HB2 LYS 36 OK 20 77 - 26 - 3.6/1174=4, 3.6/1186=4...(8) HE3 LYS 48 - HB2 LYS 36 OK 20 80 - 25 - 3.6/1174=4, 3.6/1186=4...(8) HB3 PHE 67 - HB2 LYS 36 OK 13 75 - 18 - ~680=2, ~681=2, ~655=2...(10) HB2 TYR 115 - HB3 LYS 48 OK 13 99 - 13 - 4.5/10814=3, ~10216=2...(4) HE2 LYS 85 - HB2 LYS 36 OK 13 79 - 16 - ~677=2 HB2 TYR 115 - HB2 LYS 36 OK 13 77 - 17 - 4.5/10814=7, ~10784=5...(4) HE3 LYS 85 - HB2 LYS 36 OK 12 78 - 15 - ~677=2 HE2 LYS 93 - HB2 LYS 36 OK 12 78 - 15 - ~3072=1 HB2 TYR 115 - HB2 LYS 48 OK 10 84 - 12 - 4.5/10814=2, ~10216=2...(4) HE3 LYS 93 - HB2 LYS 36 poor 10 71 - 14 - ~3072=1, 3105/3.0=1 HB3 PHE 67 - HB3 LYS 48 lone 4 98 - 4 - HB2 PHE 106 - HB2 LYS 36 lone 4 75 - 5 - ~9230=1 HE3 LYS 61 - HB2 LYS 36 lone 3 54 - 6 - HE2 LYS 61 - HB2 LYS 36 lone 3 54 - 6 - HB3 PHE 67 - HB2 LYS 48 lone 3 82 - 4 - HE3 LYS 61 - HB3 LYS 48 lone 3 77 - 4 - HE2 LYS 61 - HB3 LYS 48 lone 3 77 - 4 - HE3 LYS 61 - HB2 LYS 48 lone 2 61 - 4 - HE2 LYS 61 - HB2 LYS 48 lone 2 61 - 4 - HB3 ASN 130 - HB2 LYS 36 lone 1 58 - 2 - HB3 ASN 130 - HB3 LYS 48 lone 1 81 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 1 64 - 1 - Peak 1171 from cnoeabs.peaks (7.39, 1.87, 31.89 ppm; 3.61 A): 3 out of 9 assignments used, quality = 0.97: * H ARG 49 + HB3 LYS 48 OK 82 100 - 82 - 4.3=60, 6451/3.8=14...(11) H ARG 49 + HB2 LYS 48 OK 71 87 - 82 - 4.3=60, 6451/3.8=14...(11) H LYS 114 + HB3 LYS 48 OK 40 100 - 40 - 6451/3.8=7, 1147/3.0=7...(11) H LYS 114 - HB2 LYS 48 OK 34 86 - 40 - 6451/3.8=7, 1147/3.0=7...(11) H ARG 49 - HB2 LYS 36 OK 16 80 - 20 - 3.6/1140=3, 6456=3...(8) H ASP 41 - HB3 LYS 48 lone 5 92 - 5 - 1147/3.0=1, 6451/3.8=1 H LYS 114 - HB2 LYS 36 lone 5 79 - 6 - H ASP 41 - HB2 LYS 48 lone 4 75 - 5 - 1147/3.0=1, 6451/3.8=1 H ASP 41 - HB2 LYS 36 lone 2 68 - 3 - 3.6/10790=2 Peak 1172 from cnoeabs.peaks (8.51, 1.45, 25.35 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.95: * H LYS 48 + HG2 LYS 48 OK 93 100 - 93 - 4.9=42, 3.0/1141=23...(30) H LEU 108 + HG2 LYS 48 OK 35 100 - 35 - 1183/1.8=10, 1137/3.8=6...(10) Peak 1173 from cnoeabs.peaks (3.95, 1.45, 25.35 ppm; 3.24 A): 1 out of 7 assignments used, quality = 0.93: * HA LYS 48 + HG2 LYS 48 OK 93 100 - 93 - 3.8=62, 1184/1.8=18...(39) HA PHE 106 - HG2 LYS 48 OK 22 98 - 23 - 1184/1.8=4, 3421/3.6=2...(8) HA3 GLY 94 - HG2 LYS 48 OK 12 100 - 12 - 1184/1.8=2, 1195/3.0=1...(4) HB3 SER 103 - HG2 LYS 48 OK 10 89 - 11 - 1184/1.8=2, 10146/3.6=2...(5) HA ALA 60 - HG2 LYS 48 lone 9 100 - 9 - 1184/1.8=2, ~8325=1, ~8325=1 HA LEU 29 - HG2 LYS 48 lone 3 77 - 4 - HD3 PRO 129 - HG2 LYS 48 lone 3 81 - 3 - Peak 1174 from cnoeabs.peaks (1.87, 1.45, 25.35 ppm; 2.80 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 48 + HG2 LYS 48 OK 99 100 - 99 - 2.9=93, 3.0/1141=13...(68) HB3 LYS 48 + HG2 LYS 48 OK 95 96 - 99 - 2.9=93, 3.0/1141=13...(68) HB2 LYS 36 - HG2 LYS 48 OK 41 99 - 41 - 1165=5, 1185/1.8=4...(21) HB2 ARG 144 - HG2 LYS 48 OK 34 100 - 34 - 4888/1.8=4, 3.0/1177=3...(12) HB3 LYS 85 - HG2 LYS 48 OK 26 94 - 27 - 1185/1.8=3, 2.9/8186=2...(12) HB3 LYS 76 - HG2 LYS 48 OK 13 81 - 16 - 2264=1, 1185/1.8=1 HB3 GLU 28 - HG2 LYS 48 lone 5 77 - 7 - 3.0/8054=2, ~10542=1 HG LEU 69 - HG2 LYS 48 lone 5 89 - 6 - Peak 1175 from cnoeabs.peaks (1.87, 1.45, 25.35 ppm; 2.80 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 48 + HG2 LYS 48 OK 99 100 - 99 - 2.9=93, 3.0/1141=13...(68) HB2 LYS 48 + HG2 LYS 48 OK 95 96 - 99 - 2.9=93, 3.0/1141=13...(68) HB2 LYS 36 - HG2 LYS 48 OK 41 100 - 41 - 1165=5, 1186/1.8=4...(21) HB2 ARG 144 - HG2 LYS 48 OK 34 100 - 34 - 4888/1.8=4, 3.0/1177=3...(12) HB3 LYS 93 - HG2 LYS 48 OK 32 57 - 56 - 3.4/1178=4, 3.4/1179=4...(24) HB3 ARG 141 - HG2 LYS 48 OK 23 72 - 32 - 2.8/1177=3, 1186/1.8=2...(12) HB3 LYS 85 - HG2 LYS 48 OK 18 72 - 25 - 1185/1.8=2, 2.9/8186=2...(9) HG LEU 69 - HG2 LYS 48 lone 4 62 - 6 - Peak 1176 from cnoeabs.peaks (1.45, 1.45, 25.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 48 + HG2 LYS 48 OK 100 100 - 100 Peak 1177 from cnoeabs.peaks (1.60, 1.45, 25.35 ppm; 2.50 A): 1 out of 13 assignments used, quality = 1.00: * HG3 LYS 48 + HG2 LYS 48 OK 100 100 - 100 - 1.8=100 HG3 LYS 36 - HG2 LYS 48 OK 37 92 - 41 - 1187=8, ~688=3...(13) HG2 ARG 144 - HG2 LYS 48 OK 28 100 - 28 - 4903/2.9=2, 4903/2.9=2...(8) HG2 ARG 141 - HG2 LYS 48 OK 26 98 - 27 - 1.8/1179=2, 4903/2.9=2...(10) HG3 ARG 144 - HG2 LYS 48 OK 17 62 - 27 - 3.0/1174=2, 4912/2.9=2...(4) HB2 LEU 87 - HG2 LYS 48 OK 11 68 - 16 - 3.1/10771=3, 3.2/11145=2 HB2 LEU 97 - HG2 LYS 48 OK 11 99 - 11 - HG LEU 108 - HG2 LYS 48 OK 10 96 - 10 - 5.1/1172=2, 3493/4.9=1 HG3 ARG 49 - HG2 LYS 48 poor 7 72 - 10 - 1274/4.9=2 HB2 LEU 79 - HG2 LYS 48 lone 2 96 - 2 - HB3 LEU 64 - HG2 LYS 48 lone 2 62 - 2 - HD2 LYS 61 - HG2 LYS 48 lone 1 92 - 2 - HD3 LYS 61 - HG2 LYS 48 lone 1 92 - 2 - Peak 1178 from cnoeabs.peaks (1.67, 1.45, 25.35 ppm; 2.50 A): 3 out of 13 assignments used, quality = 0.99: * HD2 LYS 48 + HG2 LYS 48 OK 89 100 - 89 - 3.0=60, 1189/1.8=10...(48) HD3 LYS 48 + HG2 LYS 48 OK 84 94 - 89 - 3.0=60, 1.8/1198=12...(46) HD2 LYS 93 + HG2 LYS 48 OK 47 77 - 61 - 1209=8, 1.8/1198=5...(26) HD3 LYS 93 - HG2 LYS 48 OK 35 62 - 57 - 1209=6, 1190/1.8=6...(21) HB2 LYS 114 - HG2 LYS 48 OK 13 62 - 21 - 2.9/3768=2, 3745=2...(10) HB2 MET 68 - HG2 LYS 48 lone 5 99 - 5 - HG13 ILE 136 - HG2 LYS 48 lone 4 77 - 5 - HB2 LEU 95 - HG2 LYS 48 lone 4 100 - 4 - HG2 ARG 89 - HG2 LYS 48 lone 3 100 - 3 - HG2 ARG 124 - HG2 LYS 48 lone 3 100 - 3 - HG2 ARG 140 - HG2 LYS 48 lone 2 81 - 2 - HB2 ARG 145 - HG2 LYS 48 lone 2 100 - 2 - HB VAL 71 - HG2 LYS 48 lone 1 100 - 1 - Peak 1179 from cnoeabs.peaks (1.67, 1.45, 25.35 ppm; 2.61 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 48 + HG2 LYS 48 OK 93 100 - 93 - 3.0=68, 1.8/1198=13...(47) HD2 LYS 48 + HG2 LYS 48 OK 87 94 - 92 - 3.0=68, 1.8/1198=10...(50) HD2 LYS 93 + HG2 LYS 48 OK 66 98 - 67 - 1209=9, 1190/1.8=5...(27) HG3 ARG 141 - HG2 LYS 48 OK 24 85 - 28 - 1.8/1177=3, 1190/1.8=3...(6) HG LEU 97 - HG2 LYS 48 poor 9 81 - 10 - 1190/1.8=1 HB2 MET 68 - HG2 LYS 48 lone 4 81 - 5 - HB2 LEU 95 - HG2 LYS 48 lone 4 94 - 4 - HG2 ARG 89 - HG2 LYS 48 lone 3 94 - 3 - HG2 ARG 124 - HG2 LYS 48 lone 2 85 - 3 - HB2 ARG 145 - HG2 LYS 48 lone 2 99 - 2 - HB VAL 71 - HG2 LYS 48 lone 1 94 - 1 - Peak 1180 from cnoeabs.peaks (2.95, 1.45, 25.35 ppm; 3.64 A): 6 out of 10 assignments used, quality = 1.00: * HE2 LYS 48 + HG2 LYS 48 OK 100 100 - 100 - 3.6=100 HE3 LYS 48 + HG2 LYS 48 OK 99 99 - 100 - 3.6=100 HE2 LYS 93 + HG2 LYS 48 OK 81 100 - 82 - 3.0/1178=8, 3.0/1179=8...(61) HE3 LYS 93 + HG2 LYS 48 OK 67 81 - 83 - 3.0/1178=8, 3.0/1179=8...(62) HE2 LYS 85 + HG2 LYS 48 OK 65 100 - 65 - 1191/1.8=5, 1220=5...(39) HE3 LYS 85 + HG2 LYS 48 OK 60 94 - 64 - 1191/1.8=5, 1.8/1220=4...(36) HB2 PHE 106 - HG2 LYS 48 OK 22 100 - 22 - 3.0/1173=4, ~11130=3...(6) HB2 TYR 115 - HG2 LYS 48 OK 14 100 - 14 - 4.0/7421=3, 1.8/10216=3...(4) HB3 PHE 67 - HG2 LYS 48 lone 5 100 - 5 - 3.7/6649=1 HB3 ASN 130 - HG2 LYS 48 lone 0 62 - 1 - Peak 1181 from cnoeabs.peaks (2.95, 1.45, 25.35 ppm; 3.64 A): 6 out of 12 assignments used, quality = 1.00: * HE3 LYS 48 + HG2 LYS 48 OK 100 100 - 100 - 3.6=100 HE2 LYS 48 + HG2 LYS 48 OK 99 99 - 100 - 3.6=100 HE2 LYS 93 + HG2 LYS 48 OK 81 100 - 82 - 3.0/1178=8, 3.0/1179=8...(61) HE3 LYS 93 + HG2 LYS 48 OK 78 94 - 83 - 3.0/1178=8, 3.0/1179=8...(62) HE2 LYS 85 + HG2 LYS 48 OK 65 100 - 65 - 1191/1.8=5, 1220=5...(39) HE3 LYS 85 + HG2 LYS 48 OK 63 100 - 64 - 1191/1.8=5, 1.8/1220=4...(36) HB2 PHE 106 - HG2 LYS 48 OK 21 98 - 22 - 3.0/1173=4, ~11130=3...(6) HB2 TYR 115 - HG2 LYS 48 OK 14 99 - 14 - 4.0/7421=3, 1.8/10216=3...(4) HB3 PHE 67 - HG2 LYS 48 lone 5 98 - 5 - 3.7/6649=1 HE3 LYS 61 - HG2 LYS 48 lone 5 77 - 6 - HE2 LYS 61 - HG2 LYS 48 lone 5 77 - 6 - HB3 ASN 130 - HG2 LYS 48 lone 1 81 - 1 - Peak 1183 from cnoeabs.peaks (8.51, 1.60, 25.35 ppm; 3.48 A): 2 out of 4 assignments used, quality = 0.95: * H LYS 48 + HG3 LYS 48 OK 92 100 - 92 - 4.9=35, 1172/1.8=24...(30) H LEU 108 + HG3 LYS 48 OK 41 100 - 41 - 1172/1.8=9, 1137/3.8=6...(17) H LYS 48 - HG3 LYS 36 OK 21 73 - 29 - 6446=5, 3.0/1184=4...(11) H LEU 108 - HG3 LYS 36 lone 4 71 - 6 - Peak 1184 from cnoeabs.peaks (3.95, 1.60, 25.35 ppm; 3.48 A): 1 out of 14 assignments used, quality = 0.98: * HA LYS 48 + HG3 LYS 48 OK 98 100 - 98 - 3.8=77, 1141/1.8=28...(43) HA LYS 48 - HG3 LYS 36 OK 34 73 - 46 - 1142=6, 3.8/1187=4...(21) HA PHE 106 - HG3 LYS 48 OK 30 98 - 31 - 1173/1.8=6, 11130=3...(11) HA3 GLY 94 - HG3 LYS 48 OK 14 100 - 15 - 1173/1.8=3, 1195/3.0=1...(5) HB3 SER 103 - HG3 LYS 48 OK 12 89 - 14 - 1173/1.8=3, 10146/3.6=2...(5) HA ALA 60 - HG3 LYS 48 OK 12 100 - 12 - 1173/1.8=2, 2.1/8325=2 HA PHE 106 - HG3 LYS 36 lone 4 69 - 6 - HD3 PRO 129 - HG3 LYS 48 lone 4 81 - 5 - 6454/4.9=1 HA LEU 29 - HG3 LYS 48 lone 3 77 - 4 - HD3 PRO 129 - HG3 LYS 36 lone 2 52 - 4 - HA ALA 60 - HG3 LYS 36 lone 2 71 - 3 - HA3 GLY 94 - HG3 LYS 36 lone 2 71 - 3 - HA LEU 29 - HG3 LYS 36 lone 1 49 - 3 - 10848/3.9=1, 10848/3.9=1 HB3 SER 103 - HG3 LYS 36 lone 1 59 - 2 - Peak 1185 from cnoeabs.peaks (1.87, 1.60, 25.35 ppm; 2.81 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 48 + HG3 LYS 48 OK 99 100 - 99 - 2.9=94, 1153/1.8=11...(66) HB3 LYS 48 + HG3 LYS 48 OK 95 96 - 99 - 2.9=94, 1174/1.8=10...(66) HB2 LYS 36 + HG3 LYS 36 OK 65 70 - 92 - 3.0=85, 718/2.9=7...(21) HB2 LYS 48 - HG3 LYS 36 OK 44 73 - 60 - 685/1.8=6, 718/2.9=4...(30) HB2 LYS 36 - HG3 LYS 48 OK 42 99 - 43 - 1174/1.8=4, 3.0/688=4...(22) HB3 LYS 48 - HG3 LYS 36 OK 39 67 - 59 - 685/1.8=6, 718/2.9=4...(32) HB2 ARG 144 - HG3 LYS 36 OK 35 71 - 49 - 4887=6, 1.8/4896=5...(19) HB2 ARG 144 - HG3 LYS 48 OK 35 100 - 35 - 4887=5, 1.8/4897=4...(12) HB3 LYS 85 - HG3 LYS 48 OK 26 94 - 27 - 1174/1.8=3, 2.9/10469=2...(11) HB3 LYS 76 - HG3 LYS 48 OK 10 81 - 12 - 1.8/1187=2, 1174/1.8=1 HB3 LYS 85 - HG3 LYS 36 poor 8 64 - 12 - 685/1.8=1 HG LEU 69 - HG3 LYS 48 lone 5 89 - 6 - HB3 GLU 28 - HG3 LYS 48 lone 5 77 - 7 - 3.0/10542=2, ~8054=2 HG LEU 69 - HG3 LYS 36 lone 3 59 - 6 - ~9892=1 HB3 GLU 28 - HG3 LYS 36 lone 3 49 - 6 - ~10800=4, ~8054=1 HB3 LYS 76 - HG3 LYS 36 lone 1 52 - 2 - Peak 1186 from cnoeabs.peaks (1.87, 1.60, 25.35 ppm; 2.81 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LYS 48 + HG3 LYS 48 OK 99 100 - 99 - 2.9=94, 1165/1.8=10...(66) HB2 LYS 48 + HG3 LYS 48 OK 95 96 - 99 - 2.9=94, 1153/1.8=10...(66) HB2 LYS 36 + HG3 LYS 36 OK 67 72 - 93 - 3.0=85, 718/2.9=7...(21) HB3 LYS 48 - HG3 LYS 36 OK 44 73 - 60 - 685/1.8=6, 666=4...(32) HB2 LYS 36 - HG3 LYS 48 OK 42 100 - 42 - 1175/1.8=4, 3.0/688=4...(22) HB2 LYS 48 - HG3 LYS 36 OK 40 67 - 60 - 685/1.8=6, 718/2.9=4...(30) HB2 ARG 144 - HG3 LYS 36 OK 35 71 - 49 - 4887=6, 1.8/4896=5...(19) HB2 ARG 144 - HG3 LYS 48 OK 34 100 - 35 - 4887=5, 1.8/4897=4...(12) HB3 LYS 93 - HG3 LYS 48 OK 32 57 - 56 - 3.4/1189=4, 3.4/1190=3...(28) HB3 ARG 141 - HG3 LYS 48 OK 23 72 - 32 - 2.8/4808=2, 4790=2...(9) HB3 LYS 85 - HG3 LYS 48 OK 18 72 - 26 - 1174/1.8=2, 2.9/10469=2...(8) HB3 ARG 141 - HG3 LYS 36 OK 18 46 - 40 - 1.8/701=4, ~690=4...(19) HB3 LYS 93 - HG3 LYS 36 poor 6 35 - 18 - ~3027=2, ~3027=1...(4) HB3 LYS 85 - HG3 LYS 36 poor 6 46 - 12 - 685/1.8=1 HG LEU 69 - HG3 LYS 48 lone 4 62 - 6 - HG LEU 69 - HG3 LYS 36 lone 2 38 - 6 - ~9892=1 Peak 1187 from cnoeabs.peaks (1.45, 1.60, 25.35 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 48 + HG3 LYS 48 OK 100 100 - 100 - 1.8=100 HG2 LYS 48 - HG3 LYS 36 OK 29 73 - 40 - 1177=7, ~688=3...(13) HB3 LYS 114 - HG3 LYS 48 OK 19 89 - 21 - ~3745=2, 3.9/1193=2...(10) HB3 LYS 123 - HG3 LYS 48 lone 10 100 - 9 - HB2 LYS 76 - HG3 LYS 48 poor 10 85 - 11 - HB3 LEU 66 - HG3 LYS 36 poor 7 71 - 10 - ~688=1 HB3 LEU 66 - HG3 LYS 48 lone 5 100 - 5 - HB3 LYS 114 - HG3 LYS 36 lone 4 59 - 6 - 10202/4.6=1, 3760/1.8=1 HG LEU 126 - HG3 LYS 48 lone 3 62 - 4 - HB2 LYS 76 - HG3 LYS 36 lone 1 56 - 1 - HB3 LYS 123 - HG3 LYS 36 lone 0 71 - 1 - HG LEU 126 - HG3 LYS 36 lone 0 38 - 1 - Peak 1188 from cnoeabs.peaks (1.60, 1.60, 25.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 48 + HG3 LYS 48 OK 100 100 - 100 HG3 LYS 36 + HG3 LYS 36 OK 62 62 - 100 Peak 1189 from cnoeabs.peaks (1.67, 1.60, 25.35 ppm; 2.50 A): 3 out of 26 assignments used, quality = 0.99: * HD2 LYS 48 + HG3 LYS 48 OK 89 100 - 89 - 3.0=60, 1198/1.8=12...(43) HD3 LYS 48 + HG3 LYS 48 OK 84 94 - 89 - 3.0=60, 1198/1.8=10...(41) HD2 LYS 93 + HG3 LYS 48 OK 46 77 - 60 - 1210=6, 1179/1.8=6...(27) HD3 LYS 93 - HG3 LYS 48 OK 35 62 - 56 - 1179/1.8=6, 1210=5...(22) HD2 LYS 48 - HG3 LYS 36 OK 22 73 - 31 - 1199=4, 3.0/1187=3...(8) HD3 LYS 48 - HG3 LYS 36 OK 19 64 - 29 - 3.0/1187=3, 1199=3...(7) HB2 MET 68 - HG3 LYS 36 OK 13 70 - 18 - 1.8/701=2, ~690=2...(8) HB2 LYS 114 - HG3 LYS 48 OK 11 62 - 18 - 1.8/1187=3, 3.9/1193=2...(4) HD2 LYS 93 - HG3 LYS 36 poor 7 49 - 14 - 3072/1.8=2, 1210=1 HG2 ARG 124 - HG3 LYS 36 lone 6 71 - 8 - 4227=1 HD3 LYS 93 - HG3 LYS 36 poor 5 38 - 13 - ~3072=1 HB2 MET 68 - HG3 LYS 48 lone 5 99 - 5 - HB2 LEU 95 - HG3 LYS 48 lone 4 100 - 4 - HG13 ILE 136 - HG3 LYS 48 lone 4 77 - 5 - HG2 ARG 89 - HG3 LYS 48 lone 3 100 - 3 - HB2 ARG 145 - HG3 LYS 48 lone 3 100 - 3 - 4.0/7890=1 HG2 ARG 124 - HG3 LYS 48 lone 2 100 - 2 - HG2 ARG 140 - HG3 LYS 48 lone 2 81 - 3 - HG2 ARG 89 - HG3 LYS 36 lone 2 73 - 3 - HB VAL 71 - HG3 LYS 36 lone 2 73 - 2 - HB2 LYS 114 - HG3 LYS 36 lone 2 38 - 4 - HG2 ARG 140 - HG3 LYS 36 lone 2 52 - 3 - HB VAL 71 - HG3 LYS 48 lone 2 100 - 2 - HB2 ARG 145 - HG3 LYS 36 lone 1 71 - 1 - HB2 LEU 95 - HG3 LYS 36 lone 1 73 - 1 - HG13 ILE 136 - HG3 LYS 36 lone 0 49 - 1 - Peak 1190 from cnoeabs.peaks (1.67, 1.60, 25.35 ppm; 2.50 A): 3 out of 22 assignments used, quality = 0.99: * HD3 LYS 48 + HG3 LYS 48 OK 89 100 - 89 - 3.0=60, 1179/1.8=10...(41) HD2 LYS 48 + HG3 LYS 48 OK 84 94 - 89 - 3.0=60, 1198/1.8=11...(43) HD2 LYS 93 + HG3 LYS 48 OK 61 98 - 62 - 1179/1.8=6, 1210=6...(27) HG3 ARG 141 - HG3 LYS 48 OK 23 85 - 27 - 4808=4, 1179/1.8=2...(8) HD3 LYS 48 - HG3 LYS 36 OK 22 73 - 30 - 3.0/1187=3, 1210=3...(7) HD2 LYS 48 - HG3 LYS 36 OK 19 64 - 30 - 1199=4, 3.0/1187=3...(8) HG3 ARG 141 - HG3 LYS 36 OK 17 56 - 30 - 4808=3, 4806/2.9=2...(8) HD2 LYS 93 - HG3 LYS 36 OK 11 69 - 16 - 3072/1.8=2, 1210=1 HG LEU 97 - HG3 LYS 48 poor 9 81 - 11 - 3211=1, 2.1/3225=1, 2.1/3218=1 HB2 MET 68 - HG3 LYS 36 poor 9 52 - 17 - 1.8/701=2, ~690=2...(7) HG2 ARG 124 - HG3 LYS 36 lone 4 56 - 8 - 4227=1 HB2 MET 68 - HG3 LYS 48 lone 3 81 - 4 - HB2 LEU 95 - HG3 LYS 48 lone 3 94 - 4 - HG2 ARG 89 - HG3 LYS 48 lone 3 94 - 3 - HB2 ARG 145 - HG3 LYS 48 lone 3 99 - 3 - 4.0/7890=1 HG2 ARG 124 - HG3 LYS 48 lone 2 85 - 2 - HG2 ARG 89 - HG3 LYS 36 lone 2 64 - 3 - HB VAL 71 - HG3 LYS 48 lone 1 94 - 1 - HB VAL 71 - HG3 LYS 36 lone 1 64 - 2 - HG LEU 97 - HG3 LYS 36 lone 1 52 - 2 - HB2 ARG 145 - HG3 LYS 36 lone 1 70 - 1 - HB2 LEU 95 - HG3 LYS 36 lone 1 64 - 1 - Peak 1191 from cnoeabs.peaks (2.95, 1.60, 25.35 ppm; 3.56 A): 6 out of 20 assignments used, quality = 1.00: * HE2 LYS 48 + HG3 LYS 48 OK 100 100 - 100 - 3.6=98, 3.0/1189=12...(83) HE3 LYS 48 + HG3 LYS 48 OK 99 99 - 100 - 3.6=98, 3.0/1189=12...(80) HE2 LYS 93 + HG3 LYS 48 OK 78 100 - 78 - 3.0/1189=8, 1180/1.8=6...(52) HE3 LYS 93 + HG3 LYS 48 OK 66 81 - 81 - 3.0/1189=8, 3.0/1190=6...(53) HE2 LYS 85 + HG3 LYS 48 OK 61 100 - 61 - 1180/1.8=5, 1221=4...(29) HE3 LYS 85 + HG3 LYS 48 OK 58 94 - 62 - 1180/1.8=4, 1.8/1221=4...(34) HE2 LYS 48 - HG3 LYS 36 OK 24 73 - 33 - 3.6/1187=5, 3.0/1199=3...(11) HE3 LYS 48 - HG3 LYS 36 OK 22 70 - 32 - 3.6/1187=5, 3.0/1199=3...(11) HB2 PHE 106 - HG3 LYS 48 OK 21 100 - 21 - 3.0/1184=4, 4.6/9239=2...(6) HE2 LYS 93 - HG3 LYS 36 OK 13 73 - 18 - ~3072=2, 3.8/698=1...(4) HE2 LYS 85 - HG3 LYS 36 OK 13 72 - 18 - ~688=1 HB3 PHE 67 - HG3 LYS 36 OK 12 73 - 17 - 1.8/702=2, ~691=2...(9) HE3 LYS 85 - HG3 LYS 36 OK 11 64 - 18 - ~688=1 HB2 TYR 115 - HG3 LYS 48 lone 10 100 - 10 - ~10216=2, ~4726=2, ~10213=2 HE3 LYS 93 - HG3 LYS 36 poor 10 52 - 18 - ~3072=2, 3.8/698=1...(5) HB2 TYR 115 - HG3 LYS 36 lone 4 73 - 6 - ~10784=3 HB2 PHE 106 - HG3 LYS 36 lone 4 73 - 5 - HB3 PHE 67 - HG3 LYS 48 lone 3 100 - 3 - HB3 ASN 130 - HG3 LYS 36 lone 0 38 - 1 - HB3 ASN 130 - HG3 LYS 48 lone 0 62 - 1 - Peak 1192 from cnoeabs.peaks (2.95, 1.60, 25.35 ppm; 3.56 A): 6 out of 24 assignments used, quality = 1.00: * HE3 LYS 48 + HG3 LYS 48 OK 100 100 - 100 - 3.6=98, 3.0/1189=12...(80) HE2 LYS 48 + HG3 LYS 48 OK 99 99 - 100 - 3.6=98, 3.0/1189=12...(83) HE2 LYS 93 + HG3 LYS 48 OK 77 100 - 78 - 3.0/1189=8, 1180/1.8=6...(52) HE3 LYS 93 + HG3 LYS 48 OK 77 94 - 82 - 3.0/1189=8, 3.0/1190=6...(53) HE3 LYS 85 + HG3 LYS 48 OK 61 100 - 62 - 1180/1.8=4, 1.8/1221=4...(34) HE2 LYS 85 + HG3 LYS 48 OK 61 100 - 61 - 1180/1.8=5, 1221=4...(29) HE3 LYS 48 - HG3 LYS 36 OK 23 73 - 32 - 3.6/1187=5, 3.0/1199=3...(11) HE2 LYS 48 - HG3 LYS 36 OK 23 70 - 33 - 3.6/1187=5, 3.0/1199=3...(11) HB2 PHE 106 - HG3 LYS 48 OK 20 98 - 20 - 3.0/1184=4, 4.6/9239=2...(6) HE2 LYS 85 - HG3 LYS 36 OK 13 72 - 18 - ~688=1 HE2 LYS 93 - HG3 LYS 36 OK 13 71 - 18 - ~3072=2, 3.8/698=1...(4) HE3 LYS 85 - HG3 LYS 36 OK 13 71 - 18 - ~688=1 HE3 LYS 93 - HG3 LYS 36 OK 12 64 - 18 - ~3072=2, 3105/1.8=1...(5) HB3 PHE 67 - HG3 LYS 36 OK 12 69 - 17 - 1.8/702=2, ~691=2...(9) HB2 TYR 115 - HG3 LYS 48 lone 10 99 - 10 - ~10216=2, ~4726=2, ~10213=2 HB2 TYR 115 - HG3 LYS 36 lone 4 70 - 6 - ~10784=3 HE3 LYS 61 - HG3 LYS 48 lone 4 77 - 5 - HE2 LYS 61 - HG3 LYS 48 lone 4 77 - 5 - HB2 PHE 106 - HG3 LYS 36 lone 4 69 - 5 - HE3 LYS 61 - HG3 LYS 36 lone 3 49 - 6 - HE2 LYS 61 - HG3 LYS 36 lone 3 49 - 6 - HB3 PHE 67 - HG3 LYS 48 lone 3 98 - 3 - HB3 ASN 130 - HG3 LYS 36 lone 1 52 - 1 - HB3 ASN 130 - HG3 LYS 48 lone 1 81 - 1 - Peak 1193 from cnoeabs.peaks (7.39, 1.60, 25.35 ppm; 4.88 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 49 + HG3 LYS 48 OK 99 100 - 99 - 4.9=98, 3.6/1184=22...(15) H LYS 114 + HG3 LYS 48 OK 59 100 - 59 - 1147/3.8=11, 6451/4.9=10...(15) H ARG 49 - HG3 LYS 36 OK 30 73 - 41 - 3.6/1184=6, 4.9/1187=5...(13) H ASP 41 - HG3 LYS 48 lone 9 92 - 10 - 1147/3.8=2, 6451/4.9=2 H LYS 114 - HG3 LYS 36 poor 8 72 - 12 - ~3736=2 H ASP 41 - HG3 LYS 36 lone 1 62 - 2 - Peak 1194 from cnoeabs.peaks (8.51, 1.67, 28.90 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.98: * H LYS 48 + HD2 LYS 48 OK 92 100 - 92 - 6.0=27, 1172/3.0=22...(32) H LYS 48 + HD3 LYS 48 OK 74 81 - 92 - 6.0=27, 1172/3.0=22...(30) H LEU 108 - HD2 LYS 48 OK 32 100 - 32 - 1172/3.0=8, 1183/3.0=8...(9) H LEU 108 - HD3 LYS 48 OK 25 79 - 31 - 1172/3.0=8, 1183/3.0=8...(9) Peak 1195 from cnoeabs.peaks (3.95, 1.67, 28.90 ppm; 3.62 A): 2 out of 14 assignments used, quality = 0.99: * HA LYS 48 + HD2 LYS 48 OK 95 100 - 95 - 5.3=33, 1141/3.0=23...(48) HA LYS 48 + HD3 LYS 48 OK 76 81 - 94 - 5.3=33, 1141/3.0=23...(48) HA PHE 106 - HD2 LYS 48 OK 27 98 - 28 - 1173/3.0=4, 1184/3.0=4...(10) HA PHE 106 - HD3 LYS 48 OK 21 76 - 27 - 1173/3.0=4, 1184/3.0=4...(10) HA3 GLY 94 - HD2 LYS 48 OK 16 100 - 16 - 1173/3.0=2, ~7104=2...(7) HB3 SER 103 - HD2 LYS 48 OK 14 89 - 15 - 10146/3.0=3, 10146/3.0=3...(6) HA3 GLY 94 - HD3 LYS 48 OK 12 79 - 15 - 1173/3.0=2, 3.0/7104=2...(6) HB3 SER 103 - HD3 LYS 48 OK 10 66 - 15 - 10146/3.0=3, 10146/3.0=3...(6) HA ALA 60 - HD2 LYS 48 lone 10 100 - 10 - 1173/3.0=2, 1184/3.0=2...(4) HA ALA 60 - HD3 LYS 48 lone 8 79 - 10 - 1173/3.0=2, 1184/3.0=2...(4) HA LEU 29 - HD2 LYS 48 lone 4 77 - 5 - HD3 PRO 129 - HD2 LYS 48 lone 2 81 - 3 - HA LEU 29 - HD3 LYS 48 lone 2 55 - 4 - HD3 PRO 129 - HD3 LYS 48 lone 2 59 - 3 - Peak 1196 from cnoeabs.peaks (1.87, 1.67, 28.90 ppm; 2.58 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 48 + HD2 LYS 48 OK 89 100 - 89 - 3.6=37, 2.9/1198=8...(61) HB3 LYS 48 + HD2 LYS 48 OK 85 96 - 89 - 3.6=37, 2.9/1198=8...(62) HB2 LYS 48 + HD3 LYS 48 OK 71 81 - 88 - 3.6=37, 2.9/1198=7...(61) HB3 LYS 48 + HD3 LYS 48 OK 65 74 - 88 - 3.6=37, 2.9/1198=7...(62) HB3 LYS 85 - HD2 LYS 48 OK 25 94 - 26 - 1.8/3084=2, 1174/3.0=2...(5) HB2 LYS 36 - HD2 LYS 48 OK 21 99 - 21 - 1174/3.0=2, 1185/3.0=2...(8) HB3 LYS 85 - HD3 LYS 48 OK 18 71 - 25 - 1174/3.0=2, 1185/3.0=2...(5) HB2 ARG 144 - HD2 LYS 48 OK 16 100 - 16 - 4888/3.0=2, 1174/3.0=2...(4) HB2 LYS 36 - HD3 LYS 48 OK 15 78 - 20 - 1174/3.0=2, 1185/3.0=2...(7) HB2 ARG 144 - HD3 LYS 48 OK 12 79 - 15 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB3 LYS 76 - HD2 LYS 48 lone 7 81 - 8 - 1.8/1198=1 HB3 LYS 76 - HD3 LYS 48 lone 5 59 - 8 - HG LEU 69 - HD2 LYS 48 lone 3 89 - 4 - 2.1/9893=1 HB3 GLU 28 - HD2 LYS 48 lone 3 77 - 4 - HG LEU 69 - HD3 LYS 48 lone 2 66 - 4 - 2.1/9893=1 HB3 GLU 28 - HD3 LYS 48 lone 2 55 - 4 - Peak 1197 from cnoeabs.peaks (1.87, 1.67, 28.90 ppm; 2.58 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 48 + HD2 LYS 48 OK 89 100 - 89 - 3.6=37, 2.9/1198=8...(62) HB2 LYS 48 + HD2 LYS 48 OK 85 96 - 89 - 3.6=37, 2.9/1198=8...(61) HB3 LYS 48 + HD3 LYS 48 OK 71 81 - 88 - 3.6=37, 2.9/1198=7...(62) HB2 LYS 48 + HD3 LYS 48 OK 65 74 - 88 - 3.6=37, 2.9/1198=7...(61) HB3 LYS 93 - HD2 LYS 48 OK 39 57 - 68 - 1.8/3080=8, ~3069=4...(34) HB3 LYS 93 - HD3 LYS 48 OK 26 39 - 66 - 1.8/3080=6, ~3080=4...(35) HB2 LYS 36 - HD2 LYS 48 OK 21 100 - 21 - 1175/3.0=2, 1186/3.0=2...(8) HB3 LYS 85 - HD2 LYS 48 OK 18 72 - 25 - 1.8/3084=2, 1174/3.0=1 HB3 ARG 141 - HD2 LYS 48 OK 17 72 - 23 - 4791/1.8=1, 1.8/1969=1...(6) HB2 ARG 144 - HD2 LYS 48 OK 16 100 - 16 - 4888/3.0=2, 1174/3.0=2...(4) HB2 LYS 36 - HD3 LYS 48 OK 15 80 - 19 - 1175/3.0=2, 1186/3.0=2...(7) HB3 LYS 85 - HD3 LYS 48 OK 12 51 - 24 - 1174/3.0=1, 1185/3.0=1 HB2 ARG 144 - HD3 LYS 48 OK 12 79 - 15 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB3 ARG 141 - HD3 LYS 48 poor 9 51 - 18 - 1175/3.0=1, 1186/3.0=1 HG LEU 69 - HD2 LYS 48 lone 2 62 - 4 - 2.1/9893=1 HG LEU 69 - HD3 LYS 48 lone 2 43 - 3 - 2.1/9893=1 Peak 1198 from cnoeabs.peaks (1.45, 1.67, 28.90 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.97: * HG2 LYS 48 + HD2 LYS 48 OK 89 100 - 89 - 3.0=60, 1.8/1189=10...(49) HG2 LYS 48 + HD3 LYS 48 OK 72 81 - 89 - 3.0=60, 1178/1.8=10...(47) HB3 LYS 114 - HD2 LYS 48 OK 15 89 - 17 - 1187/3.0=2, 3.9/1204=1, ~3745=1 HB3 LYS 114 - HD3 LYS 48 OK 11 66 - 17 - 1187/3.0=2, 3756/1.8=1...(4) HB2 LYS 76 - HD2 LYS 48 lone 8 85 - 10 - HB3 LYS 123 - HD2 LYS 48 lone 7 100 - 7 - 1187/3.0=1 HB2 LYS 76 - HD3 LYS 48 lone 6 62 - 9 - HB3 LEU 66 - HD2 LYS 48 lone 5 100 - 5 - HB3 LYS 123 - HD3 LYS 48 lone 5 79 - 7 - 1187/3.0=1 HB3 LEU 66 - HD3 LYS 48 lone 4 79 - 5 - HG LEU 126 - HD2 LYS 48 lone 3 62 - 4 - HG LEU 126 - HD3 LYS 48 lone 2 43 - 4 - Peak 1199 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.50 A): 2 out of 26 assignments used, quality = 0.97: * HG3 LYS 48 + HD2 LYS 48 OK 90 100 - 90 - 3.0=60, 1.8/1198=12...(44) HG3 LYS 48 + HD3 LYS 48 OK 72 81 - 89 - 3.0=60, 1189/1.8=10...(42) HG3 LYS 36 - HD2 LYS 48 OK 28 92 - 30 - 1189=3, 1187/3.0=3...(8) HG2 ARG 141 - HD2 LYS 48 OK 21 98 - 22 - 4800/1.8=2, 1177/3.0=2...(4) HG3 LYS 36 - HD3 LYS 48 OK 20 69 - 29 - 1187/3.0=3, 1190=3...(6) HG2 ARG 144 - HD2 LYS 48 OK 19 100 - 19 - 1177/3.0=2, 4800/1.8=2...(4) HG2 ARG 144 - HD3 LYS 48 OK 15 80 - 18 - 1177/3.0=2, 4903/3.6=2...(4) HG2 ARG 141 - HD3 LYS 48 OK 14 76 - 19 - 1177/3.0=2, 4800=1...(4) HG3 ARG 144 - HD2 LYS 48 OK 11 62 - 18 - 1177/3.0=2, 4912/3.6=1 HB2 LEU 97 - HD2 LYS 48 lone 10 99 - 9 - 3199/1.8=1 HG3 ARG 144 - HD3 LYS 48 poor 7 43 - 16 - 1177/3.0=2, 4912/3.6=1 HG LEU 108 - HD2 LYS 48 lone 7 96 - 7 - HB2 LEU 87 - HD2 LYS 48 lone 6 68 - 9 - 1177/3.0=1 HB2 LEU 97 - HD3 LYS 48 lone 5 78 - 7 - HG LEU 108 - HD3 LYS 48 lone 5 74 - 7 - HG3 ARG 49 - HD2 LYS 48 lone 5 72 - 7 - 5.0/1204=1 HB2 LEU 87 - HD3 LYS 48 lone 4 47 - 9 - 1177/3.0=1 HG3 ARG 49 - HD3 LYS 48 lone 3 51 - 7 - 5.0/1204=1 HB2 LEU 79 - HD2 LYS 48 lone 1 96 - 1 - HB2 LEU 79 - HD3 LYS 48 lone 1 74 - 1 - HD2 LYS 61 - HD2 LYS 48 lone 1 92 - 1 - HD3 LYS 61 - HD2 LYS 48 lone 1 92 - 1 - HD3 LYS 61 - HD3 LYS 48 lone 1 69 - 1 - HD2 LYS 61 - HD3 LYS 48 lone 1 69 - 1 - HB3 LEU 64 - HD2 LYS 48 lone 1 62 - 1 - HB3 LEU 64 - HD3 LYS 48 lone 0 43 - 1 - Peak 1200 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 48 + HD2 LYS 48 OK 100 100 - 100 HD3 LYS 48 + HD3 LYS 48 OK 71 71 - 100 Peak 1201 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD2 LYS 48 + HD2 LYS 48 OK 94 94 - 100 HD3 LYS 48 + HD3 LYS 48 OK 81 81 - 100 Reference assignment not found: HD3 LYS 48 - HD2 LYS 48 Peak 1202 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 2.50 A): 5 out of 20 assignments used, quality = 1.00: * HE2 LYS 48 + HD2 LYS 48 OK 79 100 - 80 - 3.0=60, 3.6/1198=6...(38) HE3 LYS 48 + HD2 LYS 48 OK 78 99 - 79 - 3.0=60, 3.6/1198=6...(36) HE2 LYS 48 + HD3 LYS 48 OK 64 81 - 79 - 3.0=60, 3.6/1198=5...(38) HE3 LYS 48 + HD3 LYS 48 OK 61 78 - 79 - 3.0=60, 3.6/1198=5...(35) HE2 LYS 93 + HD2 LYS 48 OK 45 100 - 46 - 3.0/3074=4, 1222=2...(16) HE3 LYS 93 - HD2 LYS 48 OK 38 81 - 47 - 3.0/3074=4, 3.8/3063=2...(20) HE2 LYS 93 - HD3 LYS 48 OK 36 80 - 45 - 3.0/3074=3, 1191/3.0=2...(14) HE2 LYS 85 - HD2 LYS 48 OK 32 100 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 29 94 - 31 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 93 - HD3 LYS 48 OK 27 59 - 46 - 3.0/3074=3, 3.8/3063=2...(18) HE2 LYS 85 - HD3 LYS 48 OK 25 80 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 22 71 - 31 - 1191/3.0=2, 1180/3.0=2, 1223=1 HB2 PHE 106 - HD2 LYS 48 OK 11 100 - 11 - 3.0/1195=1 HB2 PHE 106 - HD3 LYS 48 poor 9 80 - 11 - HB2 TYR 115 - HD2 LYS 48 lone 6 100 - 6 - HB2 TYR 115 - HD3 LYS 48 lone 4 81 - 5 - HB3 PHE 67 - HD2 LYS 48 lone 2 100 - 2 - HB3 PHE 67 - HD3 LYS 48 lone 2 80 - 2 - HB3 ASN 130 - HD2 LYS 48 lone 0 62 - 1 - HB3 ASN 130 - HD3 LYS 48 lone 0 43 - 0 - Peak 1203 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 2.50 A): 5 out of 24 assignments used, quality = 1.00: * HE3 LYS 48 + HD2 LYS 48 OK 79 100 - 79 - 3.0=60, 3.6/1198=6...(36) HE2 LYS 48 + HD2 LYS 48 OK 79 99 - 80 - 3.0=60, 3.6/1198=6...(38) HE3 LYS 48 + HD3 LYS 48 OK 63 81 - 79 - 3.0=60, 3.6/1198=5...(35) HE2 LYS 48 + HD3 LYS 48 OK 61 78 - 79 - 3.0=60, 3.6/1198=5...(38) HE2 LYS 93 + HD2 LYS 48 OK 45 100 - 45 - 3.0/3074=4, 1222=2...(16) HE3 LYS 93 - HD2 LYS 48 OK 44 94 - 47 - 3.0/3074=4, 3107=3...(20) HE2 LYS 93 - HD3 LYS 48 OK 35 79 - 45 - 3.0/3074=3, 1191/3.0=2...(14) HE3 LYS 93 - HD3 LYS 48 OK 33 71 - 46 - 3.0/3074=3, 3107=2...(18) HE2 LYS 85 - HD2 LYS 48 OK 32 100 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 32 100 - 32 - 3107=2, 1191/3.0=2...(5) HE2 LYS 85 - HD3 LYS 48 OK 25 80 - 31 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 25 79 - 31 - 1191/3.0=2, 1180/3.0=2...(4) HB2 PHE 106 - HD2 LYS 48 OK 11 98 - 11 - 3.0/1195=1 HB2 PHE 106 - HD3 LYS 48 poor 8 76 - 11 - HB2 TYR 115 - HD2 LYS 48 lone 5 99 - 6 - HB2 TYR 115 - HD3 LYS 48 lone 4 78 - 5 - HB3 PHE 67 - HD2 LYS 48 lone 2 98 - 2 - HB3 PHE 67 - HD3 LYS 48 lone 2 76 - 2 - HE3 LYS 61 - HD2 LYS 48 lone 1 77 - 1 - HE2 LYS 61 - HD2 LYS 48 lone 1 77 - 1 - HE3 LYS 61 - HD3 LYS 48 lone 1 55 - 1 - HE2 LYS 61 - HD3 LYS 48 lone 1 55 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 81 - 1 - HB3 ASN 130 - HD3 LYS 48 lone 0 59 - 1 - Peak 1204 from cnoeabs.peaks (7.39, 1.67, 28.90 ppm; 4.66 A): 4 out of 6 assignments used, quality = 0.93: * H ARG 49 + HD2 LYS 48 OK 62 100 - 62 - 1193/3.0=15, 4.9/1198=13...(10) H ARG 49 + HD3 LYS 48 OK 49 81 - 60 - 1193/3.0=15, 6451/6.0=13...(9) H LYS 114 + HD2 LYS 48 OK 47 100 - 47 - 1193/3.0=9, 1147/5.3=7...(15) H LYS 114 + HD3 LYS 48 OK 37 80 - 47 - 1193/3.0=9, 1147/5.3=7...(14) H ASP 41 - HD2 LYS 48 lone 7 92 - 8 - 1193/3.0=1, 1147/5.3=1 H ASP 41 - HD3 LYS 48 lone 5 69 - 6 - 1193/3.0=1, 1147/5.3=1 Peak 1205 from cnoeabs.peaks (8.51, 1.67, 28.90 ppm; 3.85 A): 3 out of 6 assignments used, quality = 0.99: * H LYS 48 + HD3 LYS 48 OK 92 100 - 92 - 6.0=27, 1172/3.0=22...(30) H LYS 48 + HD2 LYS 48 OK 74 81 - 92 - 6.0=27, 1172/3.0=22...(30) H LYS 48 + HD2 LYS 93 OK 49 92 - 53 - 6448=8, 3.0/1144=6...(25) H LEU 108 - HD3 LYS 48 OK 32 100 - 32 - 1172/3.0=8, 1183/3.0=8...(9) H LEU 108 - HD2 LYS 48 OK 25 79 - 32 - 1172/3.0=8, 1183/3.0=8...(9) H LEU 108 - HD2 LYS 93 lone 5 90 - 6 - 1172/1179=1 Peak 1206 from cnoeabs.peaks (3.95, 1.67, 28.90 ppm; 3.69 A): 4 out of 21 assignments used, quality = 1.00: * HA LYS 48 + HD3 LYS 48 OK 95 100 - 95 - 5.3=35, 1141/3.0=23...(50) HA LYS 48 + HD2 LYS 48 OK 77 81 - 95 - 5.3=35, 1141/3.0=23...(50) HA LYS 48 + HD2 LYS 93 OK 61 92 - 67 - 1144=10, 1143/1.8=8...(28) HA3 GLY 94 + HD2 LYS 93 OK 56 90 - 62 - 9054/3.4=10, ~7100=7...(19) HA PHE 106 - HD3 LYS 48 OK 27 98 - 28 - 1173/3.0=5, 1184/3.0=4...(10) HA PHE 106 - HD2 LYS 48 OK 21 76 - 28 - 1173/3.0=5, 1184/3.0=4...(10) HA3 GLY 94 - HD3 LYS 48 OK 17 100 - 17 - 3.0/7104=3, 1173/3.0=2...(7) HB3 SER 103 - HD3 LYS 48 OK 14 89 - 16 - 10146/3.0=3, 10146/3.0=3...(7) HA3 GLY 94 - HD2 LYS 48 OK 13 79 - 17 - 1173/3.0=2, 3.0/7104=2...(7) HB3 SER 103 - HD2 LYS 48 OK 10 66 - 16 - 10146/3.0=3, 10146/3.0=3...(7) HA ALA 60 - HD3 LYS 48 OK 10 100 - 10 - 1173/3.0=2, 1184/3.0=2...(4) HB3 SER 103 - HD2 LYS 93 poor 9 77 - 12 - 10152/4.9=3, ~10154=2...(5) HA ALA 60 - HD2 LYS 48 lone 8 79 - 10 - 1173/3.0=2, 1184/3.0=2...(4) HA PHE 106 - HD2 LYS 93 lone 7 87 - 8 - 3421/3.0=1 HA LEU 29 - HD2 LYS 93 poor 7 65 - 11 - 2.9/3071=1 HA LEU 29 - HD3 LYS 48 lone 3 77 - 4 - HA ALA 60 - HD2 LYS 93 lone 3 90 - 3 - HD3 PRO 129 - HD3 LYS 48 lone 2 81 - 3 - HA LEU 29 - HD2 LYS 48 lone 2 55 - 4 - HD3 PRO 129 - HD2 LYS 93 lone 2 69 - 3 - HD3 PRO 129 - HD2 LYS 48 lone 2 59 - 3 - Peak 1207 from cnoeabs.peaks (1.87, 1.67, 28.90 ppm; 2.65 A): 6 out of 24 assignments used, quality = 1.00: * HB2 LYS 48 + HD3 LYS 48 OK 90 100 - 90 - 3.6=40, 2.9/1190=7...(62) HB3 LYS 48 + HD3 LYS 48 OK 87 96 - 90 - 3.6=40, 2.9/1190=7...(63) HB2 LYS 48 + HD2 LYS 48 OK 73 81 - 90 - 3.6=40, 2.9/1190=7...(62) HB3 LYS 48 + HD2 LYS 48 OK 66 74 - 90 - 3.6=40, 2.9/1190=7...(63) HB2 LYS 48 + HD2 LYS 93 OK 57 92 - 63 - 2.9/1179=5, 1156=5...(29) HB3 LYS 48 + HD2 LYS 93 OK 51 85 - 60 - 2.9/1179=5, 1168=4...(26) HB3 LYS 85 - HD2 LYS 93 OK 41 83 - 50 - 3.0/3071=4, 2.9/3068=3...(19) HB3 LYS 85 - HD3 LYS 48 OK 25 94 - 27 - 1174/3.0=2, 1185/3.0=2...(6) HB3 LYS 76 - HD2 LYS 93 OK 24 69 - 34 - 3.0/3071=3, 3.5/3071=3...(7) HB2 LYS 36 - HD3 LYS 48 OK 21 99 - 22 - 1174/3.0=3, 1185/3.0=2...(9) HB3 LYS 85 - HD2 LYS 48 OK 19 71 - 27 - 1174/3.0=2, 1185/3.0=2...(5) HB2 LYS 36 - HD2 LYS 48 OK 16 78 - 21 - 1174/3.0=3, 1185/3.0=2...(7) HB2 ARG 144 - HD3 LYS 48 OK 16 100 - 17 - 4888/3.0=2, 1174/3.0=2...(5) HB2 ARG 144 - HD2 LYS 48 OK 13 79 - 17 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB2 LYS 36 - HD2 LYS 93 OK 12 89 - 13 - 3.0/3072=2 HB3 LYS 76 - HD3 LYS 48 lone 7 81 - 8 - HB3 GLU 28 - HD2 LYS 93 lone 6 65 - 10 - ~8049=2, ~8054=1, ~8050=1 HG LEU 69 - HD2 LYS 93 lone 5 77 - 7 - 2.1/9893=2 HB3 LYS 76 - HD2 LYS 48 lone 5 59 - 8 - HG LEU 69 - HD3 LYS 48 lone 4 89 - 4 - 2.1/9893=1 HB3 GLU 28 - HD3 LYS 48 lone 3 77 - 4 - HG LEU 69 - HD2 LYS 48 lone 3 66 - 4 - 2.1/9893=1 HB3 GLU 28 - HD2 LYS 48 lone 2 55 - 4 - HB2 ARG 144 - HD2 LYS 93 lone 2 90 - 2 - Peak 1208 from cnoeabs.peaks (1.87, 1.67, 28.90 ppm; 2.65 A): 6 out of 24 assignments used, quality = 1.00: * HB3 LYS 48 + HD3 LYS 48 OK 90 100 - 90 - 3.6=40, 2.9/1190=7...(63) HB2 LYS 48 + HD3 LYS 48 OK 87 96 - 90 - 3.6=40, 2.9/1190=7...(62) HB3 LYS 48 + HD2 LYS 48 OK 72 81 - 90 - 3.6=40, 2.9/1190=7...(63) HB2 LYS 48 + HD2 LYS 48 OK 66 74 - 90 - 3.6=40, 2.9/1190=7...(62) HB3 LYS 48 + HD2 LYS 93 OK 56 92 - 61 - 2.9/1179=5, 1168=4...(27) HB2 LYS 48 + HD2 LYS 93 OK 53 85 - 62 - 2.9/1179=5, 1156=4...(27) HB3 LYS 93 - HD2 LYS 93 OK 44 48 - 93 - 3.4=46, 1.8/3069=25...(59) HB3 LYS 93 - HD3 LYS 48 OK 40 57 - 70 - 1.8/3069=8, ~3080=4...(39) HB3 LYS 85 - HD2 LYS 93 OK 29 61 - 48 - 3.0/3071=4, 2.9/3068=3...(16) HB3 LYS 93 - HD2 LYS 48 OK 27 39 - 69 - 1.8/3080=6, ~3069=5...(38) HB2 LYS 36 - HD3 LYS 48 OK 21 100 - 21 - 1175/3.0=2, 1186/3.0=2...(9) HB3 LYS 85 - HD3 LYS 48 OK 19 72 - 26 - 1174/3.0=1, 1185/3.0=1...(4) HB3 ARG 141 - HD3 LYS 48 OK 17 72 - 23 - 4791=2, 1.8/4782=2...(6) HB2 LYS 36 - HD2 LYS 48 OK 17 80 - 21 - 1175/3.0=2, 1186/3.0=2...(7) HB2 ARG 144 - HD3 LYS 48 OK 16 100 - 16 - 4888/3.0=2, 1174/3.0=2...(5) HB3 LYS 85 - HD2 LYS 48 OK 13 51 - 26 - 1.8/3084=1, 1174/3.0=1 HB3 ARG 141 - HD2 LYS 93 OK 13 61 - 21 - 4791=2, 1.8/4782=2...(5) HB2 ARG 144 - HD2 LYS 48 OK 13 79 - 17 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB2 LYS 36 - HD2 LYS 93 OK 12 91 - 14 - 3.0/3072=2 HB3 ARG 141 - HD2 LYS 48 OK 12 51 - 23 - 4791/1.8=2, 1175/3.0=1...(7) HG LEU 69 - HD2 LYS 93 lone 3 52 - 6 - 2.1/9893=2 HG LEU 69 - HD3 LYS 48 lone 2 62 - 4 - 2.1/9893=1 HB2 ARG 144 - HD2 LYS 93 lone 2 90 - 2 - HG LEU 69 - HD2 LYS 48 lone 2 43 - 4 - 2.1/9893=1 Peak 1209 from cnoeabs.peaks (1.45, 1.67, 28.90 ppm; 2.52 A): 3 out of 18 assignments used, quality = 0.99: * HG2 LYS 48 + HD3 LYS 48 OK 90 100 - 90 - 3.0=61, 1.8/1190=10...(47) HG2 LYS 48 + HD2 LYS 48 OK 72 81 - 90 - 3.0=61, 1179/1.8=10...(48) HG2 LYS 48 + HD2 LYS 93 OK 60 92 - 65 - 1179=10, 1178/1.8=7...(26) HB2 LYS 76 - HD2 LYS 93 OK 25 73 - 35 - 3.0/3071=3, 1.8/3069=2...(6) HB3 LYS 114 - HD2 LYS 93 OK 21 77 - 28 - 3756/1.8=3, 3760/3.0=3...(8) HB3 LYS 114 - HD3 LYS 48 OK 16 89 - 18 - 1187/3.0=2, 3756/1.8=1...(4) HB3 LYS 114 - HD2 LYS 48 poor 9 66 - 14 - 1187/3.0=2, ~3745=1 HB2 LYS 76 - HD3 LYS 48 lone 8 85 - 10 - 1187/3.0=1 HB3 LYS 123 - HD3 LYS 48 lone 7 100 - 7 - 1187/3.0=1 HG LEU 126 - HD2 LYS 93 poor 6 52 - 12 - 4293/3.4=2, ~10257=1...(5) HB2 LYS 76 - HD2 LYS 48 lone 6 62 - 10 - 1187/3.0=1 HB3 LYS 123 - HD2 LYS 48 lone 5 79 - 7 - 1187/3.0=1 HB3 LEU 66 - HD3 LYS 48 lone 5 100 - 5 - HB3 LEU 66 - HD2 LYS 48 lone 4 79 - 5 - HG LEU 126 - HD3 LYS 48 lone 3 62 - 5 - 2.1/10257=1 HB3 LEU 66 - HD2 LYS 93 lone 3 90 - 3 - HB3 LYS 123 - HD2 LYS 93 lone 3 90 - 3 - HG LEU 126 - HD2 LYS 48 lone 2 43 - 5 - Peak 1210 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.50 A): 3 out of 39 assignments used, quality = 0.99: * HG3 LYS 48 + HD3 LYS 48 OK 89 100 - 89 - 3.0=60, 1189/1.8=10...(42) HG3 LYS 48 + HD2 LYS 48 OK 72 81 - 89 - 3.0=60, 1190/1.8=10...(43) HG3 LYS 48 + HD2 LYS 93 OK 59 92 - 64 - 1190=8, 1189/1.8=7...(27) HG3 LYS 36 - HD3 LYS 48 OK 27 92 - 30 - 1187/3.0=3, 1190=3...(7) HG2 ARG 141 - HD3 LYS 48 OK 22 98 - 22 - 4800=3, 1177/3.0=2...(7) HG3 LYS 36 - HD2 LYS 48 OK 20 69 - 29 - 1187/3.0=3, 1189=3...(8) HG2 ARG 144 - HD3 LYS 48 OK 20 100 - 20 - 4800=2, 1177/3.0=2...(4) HG2 ARG 141 - HD2 LYS 93 OK 18 87 - 20 - 4800=3, 2.8/3070=2...(5) HG2 ARG 141 - HD2 LYS 48 OK 16 76 - 21 - 4800/1.8=2, 1177/3.0=2...(4) HG2 ARG 144 - HD2 LYS 48 OK 15 80 - 19 - 1177/3.0=2, 4800/1.8=2...(4) HG3 LYS 36 - HD2 LYS 93 OK 13 80 - 16 - 1.8/3072=2, 1190=1 HG3 ARG 144 - HD3 LYS 48 OK 11 62 - 17 - 1177/3.0=2, 1.8/4800=1...(4) HB2 LEU 97 - HD3 LYS 48 lone 9 99 - 9 - HG3 ARG 144 - HD2 LYS 48 poor 7 43 - 17 - 1177/3.0=2, 4912/3.6=1 HB2 LEU 97 - HD2 LYS 48 lone 7 78 - 9 - 3199/1.8=1 HB2 LEU 97 - HD2 LYS 93 lone 7 89 - 8 - HG LEU 108 - HD3 LYS 48 lone 7 96 - 7 - HB2 LEU 87 - HD3 LYS 48 lone 6 68 - 9 - 1177/3.0=1 HG LEU 108 - HD2 LYS 48 lone 5 74 - 7 - HG3 ARG 49 - HD3 LYS 48 lone 5 72 - 7 - 5.0/1215=1 HB2 LEU 87 - HD2 LYS 48 lone 4 47 - 9 - 1177/3.0=1 HG3 ARG 49 - HD2 LYS 48 lone 3 51 - 6 - HG2 ARG 144 - HD2 LYS 93 lone 3 92 - 3 - HB2 LEU 87 - HD2 LYS 93 lone 3 57 - 5 - HB2 LEU 79 - HD2 LYS 93 lone 2 85 - 3 - HG LEU 108 - HD2 LYS 93 lone 2 85 - 3 - HD2 LYS 61 - HD2 LYS 93 lone 2 80 - 2 - HD3 LYS 61 - HD2 LYS 93 lone 2 80 - 2 - HB2 LEU 79 - HD3 LYS 48 lone 2 96 - 2 - HD2 LYS 61 - HD3 LYS 48 lone 1 92 - 1 - HD3 LYS 61 - HD3 LYS 48 lone 1 92 - 1 - HG3 ARG 49 - HD2 LYS 93 lone 1 61 - 2 - HB2 LEU 79 - HD2 LYS 48 lone 1 74 - 1 - HG3 ARG 144 - HD2 LYS 93 lone 1 52 - 2 - HB3 LEU 64 - HD2 LYS 93 lone 1 52 - 2 - HD3 LYS 61 - HD2 LYS 48 lone 1 69 - 1 - HD2 LYS 61 - HD2 LYS 48 lone 1 69 - 1 - HB3 LEU 64 - HD3 LYS 48 lone 1 62 - 1 - HB3 LEU 64 - HD2 LYS 48 lone 0 43 - 1 - Peak 1211 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 48 + HD3 LYS 48 OK 94 94 - 100 HD2 LYS 48 + HD2 LYS 48 OK 81 81 - 100 HD2 LYS 93 + HD2 LYS 93 OK 65 65 - 100 Reference assignment not found: HD2 LYS 48 - HD3 LYS 48 Peak 1212 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 48 + HD3 LYS 48 OK 100 100 - 100 HD2 LYS 93 + HD2 LYS 93 OK 87 87 - 100 HD2 LYS 48 + HD2 LYS 48 OK 71 71 - 100 Peak 1213 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 2.57 A): 11 out of 30 assignments used, quality = 1.00: * HE2 LYS 48 + HD3 LYS 48 OK 83 100 - 83 - 3.0=65, 3.6/1190=5...(46) HE2 LYS 93 + HD2 LYS 93 OK 82 92 - 89 - 3.0=65, 3.8/3072=7...(43) HE3 LYS 48 + HD3 LYS 48 OK 81 99 - 82 - 3.0=65, 3.6/1190=5...(39) HE2 LYS 48 + HD2 LYS 48 OK 66 81 - 82 - 3.0=65, 3.6/1190=5...(42) HE3 LYS 48 + HD2 LYS 48 OK 63 78 - 82 - 3.0=65, 3.6/1190=5...(40) HE3 LYS 93 + HD2 LYS 93 OK 62 69 - 89 - 3.0=65, 3.8/3072=7...(43) HE2 LYS 48 + HD2 LYS 93 OK 55 92 - 60 - 3075=5, 1.8/3076=4...(24) HE2 LYS 85 + HD2 LYS 93 OK 53 91 - 58 - 3075=5, 1.8/3076=4...(16) HE3 LYS 48 + HD2 LYS 93 OK 50 89 - 57 - 3075=5, 1.8/3075=4...(19) HE2 LYS 93 + HD3 LYS 48 OK 48 100 - 48 - 3.0/3084=3, 3.0/3074=3...(18) HE3 LYS 85 + HD2 LYS 93 OK 47 83 - 57 - 3075=5, 1.8/3075=4...(14) HE3 LYS 93 - HD3 LYS 48 OK 40 81 - 49 - 3.0/3084=3, 3.0/3074=3...(19) HE2 LYS 93 - HD2 LYS 48 OK 38 80 - 47 - 3.0/3074=3, 1191/3.0=3...(19) HE2 LYS 85 - HD3 LYS 48 OK 34 100 - 34 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 31 94 - 33 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 93 - HD2 LYS 48 OK 28 59 - 48 - 3.0/3074=3, 3.0/3084=2...(20) HE2 LYS 85 - HD2 LYS 48 OK 26 80 - 33 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 23 71 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HB2 PHE 106 - HD3 LYS 48 OK 12 100 - 12 - HB2 PHE 106 - HD2 LYS 48 poor 9 80 - 12 - HB2 TYR 115 - HD3 LYS 48 lone 6 100 - 5 - HB2 TYR 115 - HD2 LYS 48 lone 4 81 - 6 - HB2 PHE 106 - HD2 LYS 93 lone 3 92 - 4 - HB2 TYR 115 - HD2 LYS 93 lone 2 92 - 3 - HB3 PHE 67 - HD3 LYS 48 lone 2 100 - 2 - HB3 PHE 67 - HD2 LYS 48 lone 2 80 - 2 - HB3 PHE 67 - HD2 LYS 93 lone 2 92 - 2 - HB3 ASN 130 - HD2 LYS 93 lone 1 52 - 2 - HB3 ASN 130 - HD3 LYS 48 lone 0 62 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 43 - 1 - Peak 1214 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 2.57 A): 12 out of 36 assignments used, quality = 1.00: * HE3 LYS 48 + HD3 LYS 48 OK 82 100 - 82 - 3.0=65, 3.6/1190=5...(39) HE2 LYS 48 + HD3 LYS 48 OK 82 99 - 83 - 3.0=65, 3.6/1190=5...(46) HE2 LYS 93 + HD2 LYS 93 OK 80 90 - 89 - 3.0=65, 3.8/3072=7...(43) HE3 LYS 93 + HD2 LYS 93 OK 74 83 - 89 - 3.0=65, 3.8/3072=7...(43) HE3 LYS 48 + HD2 LYS 48 OK 66 81 - 82 - 3.0=65, 3.6/1190=5...(40) HE2 LYS 48 + HD2 LYS 48 OK 64 78 - 82 - 3.0=65, 3.6/1190=5...(42) HE2 LYS 48 + HD2 LYS 93 OK 54 89 - 60 - 3075=5, 1.8/3076=4...(24) HE2 LYS 85 + HD2 LYS 93 OK 53 91 - 58 - 3075=5, 1.8/3076=4...(16) HE3 LYS 85 + HD2 LYS 93 OK 52 90 - 58 - 3076=5, 1.8/3075=4...(14) HE3 LYS 48 + HD2 LYS 93 OK 52 92 - 57 - 3075=5, 1.8/3075=4...(19) HE2 LYS 93 + HD3 LYS 48 OK 48 100 - 48 - 3.0/3084=3, 3.0/3074=3...(18) HE3 LYS 93 + HD3 LYS 48 OK 47 94 - 50 - 3106=3, 3.0/3084=3...(19) HE2 LYS 93 - HD2 LYS 48 OK 37 79 - 47 - 3.0/3074=3, 1191/3.0=2...(19) HE3 LYS 93 - HD2 LYS 48 OK 35 71 - 49 - 3.0/3074=3, 3107=3...(20) HE2 LYS 85 - HD3 LYS 48 OK 34 100 - 34 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 34 100 - 34 - 3106=2, 1191/3.0=2...(5) HE2 LYS 85 - HD2 LYS 48 OK 26 80 - 33 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 26 79 - 33 - 1191/3.0=2, 3107=2...(5) HB2 PHE 106 - HD3 LYS 48 OK 11 98 - 12 - HB2 PHE 106 - HD2 LYS 48 poor 9 76 - 12 - HB2 TYR 115 - HD3 LYS 48 lone 5 99 - 5 - HB2 TYR 115 - HD2 LYS 48 lone 4 78 - 6 - HE2 LYS 61 - HD2 LYS 93 lone 4 65 - 6 - HE3 LYS 61 - HD2 LYS 93 lone 4 65 - 6 - HB2 PHE 106 - HD2 LYS 93 lone 3 87 - 4 - HB2 TYR 115 - HD2 LYS 93 lone 2 89 - 3 - HB3 PHE 67 - HD3 LYS 48 lone 2 98 - 2 - HB3 PHE 67 - HD2 LYS 48 lone 2 76 - 2 - HB3 PHE 67 - HD2 LYS 93 lone 2 87 - 2 - HB3 ASN 130 - HD2 LYS 93 lone 1 69 - 2 - HE3 LYS 61 - HD3 LYS 48 lone 1 77 - 1 - HE2 LYS 61 - HD3 LYS 48 lone 1 77 - 1 - HE3 LYS 61 - HD2 LYS 48 lone 1 55 - 1 - HE2 LYS 61 - HD2 LYS 48 lone 1 55 - 1 - HB3 ASN 130 - HD3 LYS 48 lone 1 81 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 59 - 1 - Peak 1215 from cnoeabs.peaks (7.39, 1.67, 28.90 ppm; 4.43 A): 5 out of 9 assignments used, quality = 0.94: * H ARG 49 + HD3 LYS 48 OK 58 100 - 58 - 1193/3.0=13, 3.6/1144=12...(9) H ARG 49 + HD2 LYS 48 OK 45 81 - 56 - 1193/3.0=13, 6451/6.0=11...(8) H LYS 114 + HD3 LYS 48 OK 44 100 - 44 - 1193/3.0=8, 1147/5.3=6...(14) H ARG 49 + HD2 LYS 93 OK 32 92 - 35 - 3.6/1144=7, 4.9/1179=7...(8) H LYS 114 + HD2 LYS 48 OK 31 80 - 39 - 1193/3.0=8, 1147/5.3=6...(11) H LYS 114 - HD2 LYS 93 OK 28 91 - 31 - 11345/10911=5, ~3736=4...(9) H ASP 41 - HD3 LYS 48 lone 6 92 - 6 - 1193/3.0=1, 1147/5.3=1 H ASP 41 - HD2 LYS 48 lone 4 69 - 6 - 1193/3.0=1, 1147/5.3=1 H ASP 41 - HD2 LYS 93 lone 3 80 - 4 - Peak 1217 from cnoeabs.peaks (3.95, 2.95, 41.80 ppm; 4.25 A): 4 out of 35 assignments used, quality = 1.00: * HA LYS 48 + HE2 LYS 48 OK 93 100 - 93 - 6.0=36, 1141/3.6=25...(54) HA LYS 48 + HE3 LYS 48 OK 88 96 - 92 - 6.0=36, 1141/3.6=25...(52) HA LYS 48 + HE2 LYS 93 OK 66 100 - 66 - 1143/3.0=8, 1144/3.0=7...(43) HA LYS 48 + HE2 LYS 85 OK 50 99 - 51 - 1145=5, 3.8/1180=4...(26) HA PHE 106 - HE2 LYS 48 OK 45 98 - 46 - 3421=7, 3421/1.8=6...(16) HA PHE 106 - HE3 LYS 48 OK 42 92 - 46 - 3421=7, 3421/1.8=6...(16) HA LYS 48 - HE3 LYS 85 OK 41 81 - 51 - 1145=5, 1145/1.8=4...(29) HA3 GLY 94 - HE2 LYS 93 OK 39 99 - 39 - 9054/5.1=10, 9046/5.9=5...(9) HB3 SER 103 - HE2 LYS 48 OK 27 89 - 31 - 10146=5, 1.8/10148=5...(11) HA PHE 106 - HE2 LYS 85 OK 25 96 - 26 - 3421=4, 3421/1.8=3...(12) HB3 SER 103 - HE3 LYS 48 OK 25 81 - 31 - 10146=5, 1.8/10148=5...(11) HA PHE 106 - HE3 LYS 85 OK 19 76 - 25 - 3421=3, 3421/1.8=3...(12) HA3 GLY 94 - HE2 LYS 48 OK 18 100 - 18 - 1173/3.6=3, 1184/3.6=2...(8) HA3 GLY 94 - HE3 LYS 48 OK 17 94 - 18 - 1173/3.6=3, 1184/3.6=2...(8) HA PHE 106 - HE2 LYS 93 OK 16 98 - 16 - 3421=2, 3.0/7239=2...(7) HB3 SER 103 - HE2 LYS 93 OK 15 88 - 17 - 1.8/10148=3, 10146=3...(6) HA LEU 29 - HE2 LYS 85 OK 12 75 - 16 - 341/3.5=2, 3.0/11381=1...(7) HA ALA 60 - HE2 LYS 85 OK 11 99 - 11 - 1643/3.5=3, ~2619=2...(5) HA ALA 60 - HE2 LYS 48 OK 10 100 - 10 - 1173/3.6=2, 1184/3.6=2 HA ALA 60 - HE3 LYS 48 lone 10 94 - 10 - 1173/3.6=2, 1184/3.6=2 HA ALA 60 - HE3 LYS 85 poor 9 79 - 11 - 1643/3.5=3, ~2619=2...(5) HA LEU 29 - HE3 LYS 85 poor 9 55 - 16 - 341/3.5=2, 3.0/11381=1...(7) HB3 SER 103 - HE2 LYS 85 lone 8 87 - 9 - 1.8/10148=1, 10146=1 HA3 GLY 94 - HE2 LYS 85 lone 6 99 - 6 - ~7102=1, 9054/3091=1 HA LEU 29 - HE2 LYS 93 lone 6 77 - 8 - 3.0/11381=1 HB3 SER 103 - HE3 LYS 85 lone 5 66 - 8 - 10146=1, 1.8/10148=1...(4) HA LEU 29 - HE2 LYS 48 lone 5 77 - 7 - HA3 GLY 94 - HE3 LYS 85 lone 5 79 - 6 - ~7102=1, 9054/3091=1 HA LEU 29 - HE3 LYS 48 lone 4 70 - 6 - HD3 PRO 129 - HE2 LYS 48 lone 3 81 - 3 - HA ALA 60 - HE2 LYS 93 lone 2 99 - 2 - HD3 PRO 129 - HE3 LYS 48 lone 2 74 - 3 - HD3 PRO 129 - HE2 LYS 93 lone 1 81 - 2 - HD3 PRO 129 - HE2 LYS 85 lone 1 80 - 2 - HD3 PRO 129 - HE3 LYS 85 lone 1 59 - 1 - Peak 1218 from cnoeabs.peaks (1.87, 2.95, 41.80 ppm; 3.07 A): 12 out of 40 assignments used, quality = 1.00: * HB2 LYS 48 + HE2 LYS 48 OK 85 100 - 85 - 4.9=25, 1153/3.6=7...(75) HB3 LYS 85 + HE2 LYS 85 OK 82 93 - 89 - 4.8=26, 1.8/2650=7...(70) HB3 LYS 48 + HE2 LYS 48 OK 81 96 - 84 - 4.9=25, 1174/3.6=6...(74) HB2 LYS 48 + HE3 LYS 48 OK 81 96 - 85 - 4.9=25, 1153/3.6=7...(75) HB3 LYS 48 + HE3 LYS 48 OK 75 90 - 84 - 4.9=25, 1174/3.6=6...(74) HB2 LYS 48 + HE2 LYS 93 OK 65 100 - 66 - 2.9/1191=4, 2.9/1180=4...(55) HB3 LYS 85 + HE3 LYS 85 OK 63 71 - 88 - 4.8=26, 1.8/2650=6...(69) HB3 LYS 48 + HE2 LYS 93 OK 61 96 - 64 - 2.9/1191=4, 2.9/1180=4...(53) HB3 LYS 85 + HE2 LYS 93 OK 55 94 - 59 - 1.8/2650=4, 3.0/2652=4...(43) HB2 LYS 48 + HE2 LYS 85 OK 51 99 - 51 - 2.9/1180=3, 2.9/1191=3...(26) HB3 LYS 48 + HE2 LYS 85 OK 48 95 - 51 - 2.9/1180=3, 2.9/1191=3...(33) HB3 LYS 85 + HE2 LYS 48 OK 47 94 - 50 - 1.8/2650=3, 3.0/2652=3...(32) HB3 LYS 85 - HE3 LYS 48 OK 41 87 - 47 - 1.8/2650=3, 3.0/2652=3...(32) HB2 LYS 48 - HE3 LYS 85 OK 41 81 - 51 - 2607/3.5=3, 2618/3.5=3...(32) HB3 LYS 48 - HE3 LYS 85 OK 37 74 - 51 - 2.9/1191=3, 2.9/1180=3...(37) HB3 LYS 76 - HE2 LYS 85 OK 31 80 - 39 - 2597/3.5=4, 2618/3.5=3...(14) HB3 LYS 76 - HE3 LYS 85 OK 23 59 - 39 - 2597/3.5=4, 2618/3.5=3...(16) HB2 LYS 36 - HE2 LYS 48 OK 17 99 - 18 - 1174/3.6=3, 1185/3.6=3 HB3 LYS 76 - HE2 LYS 93 OK 17 81 - 21 - 2268/3.8=2, 2595/3.0=1...(7) HB2 LYS 36 - HE3 LYS 48 OK 16 93 - 17 - 1174/3.6=3, 1185/3.6=3 HB2 ARG 144 - HE2 LYS 48 OK 13 100 - 13 - 4888/3.6=3, 1174/3.6=2 HB2 ARG 144 - HE3 LYS 48 OK 12 94 - 13 - 4888/3.6=3, 1174/3.6=2 HB3 GLU 28 - HE2 LYS 93 OK 12 77 - 15 - ~8049=5, 3.0/8049=2...(5) HB2 LYS 36 - HE2 LYS 85 OK 11 98 - 11 - HB2 LYS 36 - HE2 LYS 93 lone 10 99 - 10 - HB3 LYS 76 - HE2 LYS 48 poor 9 81 - 11 - HB2 LYS 36 - HE3 LYS 85 poor 8 78 - 10 - HB3 LYS 76 - HE3 LYS 48 poor 8 74 - 11 - HB3 GLU 28 - HE2 LYS 85 lone 7 75 - 9 - 3.0/8049=1, 3.0/8050=1, ~8050=1 HB2 ARG 144 - HE2 LYS 85 lone 7 99 - 7 - HB3 GLU 28 - HE2 LYS 48 lone 6 77 - 7 - 3.0/8049=2, ~8049=1 HB2 ARG 144 - HE3 LYS 85 lone 5 79 - 6 - HB3 GLU 28 - HE3 LYS 85 lone 5 55 - 9 - 3.0/8049=1 HB3 GLU 28 - HE3 LYS 48 lone 5 70 - 7 - 3.0/8049=2, ~8049=1 HG LEU 69 - HE2 LYS 85 lone 4 87 - 5 - HG LEU 69 - HE2 LYS 93 lone 4 88 - 4 - HG LEU 69 - HE3 LYS 85 lone 3 66 - 5 - HG LEU 69 - HE2 LYS 48 lone 3 89 - 3 - HG LEU 69 - HE3 LYS 48 lone 3 81 - 3 - HB2 ARG 144 - HE2 LYS 93 lone 2 99 - 2 - Peak 1219 from cnoeabs.peaks (1.87, 2.95, 41.80 ppm; 3.07 A): 10 out of 40 assignments used, quality = 1.00: * HB3 LYS 48 + HE2 LYS 48 OK 84 100 - 84 - 4.9=25, 1165/3.6=6...(74) HB2 LYS 48 + HE2 LYS 48 OK 81 96 - 84 - 4.9=25, 1153/3.6=6...(75) HB3 LYS 48 + HE3 LYS 48 OK 80 96 - 84 - 4.9=25, 1165/3.6=6...(74) HB2 LYS 48 + HE3 LYS 48 OK 76 90 - 84 - 4.9=25, 1153/3.6=6...(75) HB3 LYS 48 + HE2 LYS 93 OK 64 100 - 64 - 2.9/1191=4, 2.9/1180=4...(53) HB2 LYS 48 + HE2 LYS 93 OK 62 96 - 65 - 2.9/1191=4, 2.9/1180=4...(54) HB3 LYS 85 + HE2 LYS 85 OK 62 71 - 88 - 4.8=26, 1.8/2650=7...(70) HB3 LYS 93 + HE2 LYS 93 OK 51 57 - 89 - 5.1=21, ~3069=11...(73) HB3 LYS 48 + HE2 LYS 85 OK 50 99 - 51 - 2.9/1180=3, 2.9/1191=3...(33) HB2 LYS 48 + HE2 LYS 85 OK 47 95 - 50 - 2.9/1180=3, 2.9/1191=3...(25) HB3 LYS 85 - HE3 LYS 85 OK 45 51 - 87 - 4.8=26, 1.8/2650=6...(68) HB3 LYS 93 - HE2 LYS 48 OK 43 57 - 75 - ~3069=4, 2.9/3064=4...(58) HB3 LYS 85 - HE2 LYS 93 OK 41 72 - 57 - 1.8/2650=4, 3.0/2652=4...(42) HB3 LYS 48 - HE3 LYS 85 OK 41 81 - 50 - 2.9/1191=3, 2.9/1180=3...(37) HB3 LYS 93 - HE2 LYS 85 OK 40 56 - 73 - 2.9/3064=3, 3.4/3075=3...(54) HB2 LYS 48 - HE3 LYS 85 OK 37 74 - 50 - 2.9/1191=3, 2.9/1180=3...(31) HB3 LYS 93 - HE3 LYS 48 OK 37 51 - 72 - ~3069=4, ~3080=3...(54) HB3 LYS 85 - HE2 LYS 48 OK 35 72 - 48 - 1.8/2650=3, 3.0/2652=3...(32) HB3 LYS 85 - HE3 LYS 48 OK 30 65 - 46 - 1.8/2650=3, 3.0/2652=3...(32) HB3 LYS 93 - HE3 LYS 85 OK 28 39 - 71 - 2.9/3064=3, 1.8/3030=3...(50) HB2 LYS 36 - HE2 LYS 48 OK 17 100 - 17 - 1175/3.6=3, 1186/3.6=3 HB2 LYS 36 - HE3 LYS 48 OK 16 95 - 16 - 1175/3.6=3, 1186/3.6=3 HB3 ARG 141 - HE2 LYS 48 OK 13 72 - 17 - 1175/3.6=1, 1186/3.6=1 HB2 ARG 144 - HE2 LYS 48 OK 12 100 - 12 - 4888/3.6=3, 1174/3.6=2 HB2 ARG 144 - HE3 LYS 48 OK 12 94 - 12 - 4888/3.6=3, 1174/3.6=2 HB3 ARG 141 - HE3 LYS 48 OK 11 65 - 17 - 1175/3.6=1, 1186/3.6=1 HB2 LYS 36 - HE2 LYS 85 OK 11 99 - 11 - HB2 LYS 36 - HE2 LYS 93 lone 10 100 - 10 - HB3 ARG 141 - HE2 LYS 93 poor 10 72 - 14 - 4791/3.0=2, ~4782=1 HB2 LYS 36 - HE3 LYS 85 lone 8 80 - 10 - HB2 ARG 144 - HE2 LYS 85 lone 6 99 - 6 - HB2 ARG 144 - HE3 LYS 85 lone 5 79 - 6 - HG LEU 69 - HE2 LYS 85 lone 2 61 - 4 - HG LEU 69 - HE2 LYS 93 lone 2 62 - 4 - HB3 ARG 141 - HE2 LYS 85 lone 2 71 - 3 - HB2 ARG 144 - HE2 LYS 93 lone 2 99 - 2 - HG LEU 69 - HE2 LYS 48 lone 2 62 - 3 - HG LEU 69 - HE3 LYS 48 lone 2 56 - 3 - HG LEU 69 - HE3 LYS 85 lone 2 43 - 4 - HB3 ARG 141 - HE3 LYS 85 lone 2 51 - 3 - Peak 1220 from cnoeabs.peaks (1.45, 2.95, 41.80 ppm; 2.75 A): 3 out of 30 assignments used, quality = 0.99: * HG2 LYS 48 + HE2 LYS 48 OK 85 100 - 85 - 3.6=45, 1198/3.0=9...(27) HG2 LYS 48 + HE3 LYS 48 OK 81 96 - 85 - 3.6=45, 1198/3.0=9...(28) HG2 LYS 48 + HE2 LYS 93 OK 59 100 - 60 - 1178/3.0=5, 1179/3.0=5...(28) HG2 LYS 48 - HE2 LYS 85 OK 43 99 - 43 - 1180=4, 1.8/1191=3...(15) HG2 LYS 48 - HE3 LYS 85 OK 34 81 - 42 - 1180=3, 1180/1.8=3...(14) HB2 LYS 76 - HE2 LYS 85 OK 28 83 - 34 - 2255/3.5=2, 2.9/10982=2...(9) HB2 LYS 76 - HE3 LYS 85 OK 21 62 - 34 - 2255/3.5=2, ~2597=2...(10) HB2 LYS 76 - HE2 LYS 93 OK 16 85 - 19 - 1209/3.0=2, 2286/3.8=2, ~3080=1 HB3 LYS 114 - HE2 LYS 93 OK 14 88 - 16 - 3756/3.0=3, 3760/3.8=3...(5) HB3 LEU 66 - HE2 LYS 85 OK 11 99 - 12 - 3.1/9860=1, 3.1/8403=1 HB3 LYS 114 - HE2 LYS 48 OK 11 89 - 13 - 1187/3.6=2, 1198/3.0=2 HB3 LYS 114 - HE3 LYS 48 poor 10 81 - 12 - 1187/3.6=2, 1198/3.0=2 HB3 LEU 66 - HE3 LYS 85 poor 9 79 - 11 - 3.1/9860=1, 3.1/8403=1 HB2 LYS 76 - HE2 LYS 48 poor 9 85 - 10 - HG LEU 126 - HE2 LYS 85 poor 8 61 - 13 - HB2 LYS 76 - HE3 LYS 48 lone 8 78 - 10 - HB3 LEU 66 - HE2 LYS 48 lone 7 100 - 7 - HB3 LEU 66 - HE3 LYS 48 lone 6 94 - 7 - HG LEU 126 - HE3 LYS 85 poor 5 43 - 13 - HB3 LYS 123 - HE2 LYS 48 lone 5 100 - 5 - HB3 LYS 123 - HE2 LYS 85 lone 5 99 - 5 - HB3 LYS 123 - HE3 LYS 48 lone 4 94 - 5 - HG LEU 126 - HE2 LYS 93 lone 4 62 - 7 - ~10257=1, 4293/5.1=1 HB3 LEU 66 - HE2 LYS 93 lone 4 99 - 4 - HB3 LYS 123 - HE3 LYS 85 lone 4 79 - 4 - HG LEU 126 - HE2 LYS 48 lone 3 62 - 4 - HB3 LYS 114 - HE2 LYS 85 lone 2 87 - 3 - HG LEU 126 - HE3 LYS 48 lone 2 56 - 4 - HB3 LYS 123 - HE2 LYS 93 lone 2 99 - 2 - HB3 LYS 114 - HE3 LYS 85 lone 2 66 - 3 - Peak 1221 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.50 A): 3 out of 65 assignments used, quality = 0.96: * HG3 LYS 48 + HE2 LYS 48 OK 75 100 - 75 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE3 LYS 48 OK 71 96 - 74 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE2 LYS 93 OK 48 100 - 48 - 1189/3.0=4, 1191=4...(22) HG3 LYS 48 - HE2 LYS 85 OK 34 99 - 34 - 1191=3, 1.8/1180=2...(8) HG3 LYS 48 - HE3 LYS 85 OK 28 81 - 35 - 1191=3, 1191/1.8=3...(10) HG3 LYS 36 - HE2 LYS 48 OK 15 92 - 16 - 1187/3.6=2, 1199/3.0=2...(5) HG3 LYS 36 - HE3 LYS 48 OK 13 84 - 15 - 1187/3.6=2, 1199/3.0=2...(5) HB2 LEU 87 - HE2 LYS 85 OK 12 66 - 18 - 3.2/10052=3, ~10052=2...(10) HG2 ARG 141 - HE2 LYS 48 OK 11 98 - 11 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 141 - HE3 LYS 48 OK 10 92 - 11 - 1177/3.6=1, 4800/3.0=1 HB2 LEU 87 - HE3 LYS 85 poor 10 47 - 20 - 3.2/10052=3, ~8895=2...(12) HG2 ARG 144 - HE2 LYS 48 lone 9 100 - 9 - 1177/3.6=2, 4800/3.0=1 HG2 ARG 144 - HE3 LYS 48 lone 9 95 - 9 - 1177/3.6=2, 4800/3.0=1 HG2 ARG 141 - HE2 LYS 93 lone 8 98 - 8 - 4800/3.0=1 HG3 LYS 36 - HE2 LYS 93 lone 7 91 - 8 - HG3 LYS 36 - HE2 LYS 85 lone 7 90 - 7 - HG3 LYS 36 - HE3 LYS 85 lone 5 69 - 7 - HG3 ARG 144 - HE2 LYS 48 lone 5 62 - 8 - 1177/3.6=1 HB2 LEU 97 - HE2 LYS 48 lone 5 99 - 5 - HB2 LEU 87 - HE3 LYS 48 lone 5 60 - 8 - 3.2/10052=1 HB2 LEU 97 - HE3 LYS 48 lone 5 93 - 5 - HG3 ARG 144 - HE3 LYS 48 lone 4 56 - 8 - 1177/3.6=1 HB2 LEU 87 - HE2 LYS 48 lone 4 68 - 6 - 3.2/8895=1 HB2 LEU 97 - HE2 LYS 93 lone 4 99 - 4 - HG2 ARG 144 - HE2 LYS 85 lone 3 99 - 3 - HG LEU 108 - HE2 LYS 48 lone 2 96 - 3 - HB2 LEU 87 - HE2 LYS 93 lone 2 67 - 4 - HG LEU 108 - HE3 LYS 48 lone 2 90 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 2 80 - 3 - HB2 LEU 79 - HE2 LYS 85 lone 2 95 - 2 - HG3 ARG 49 - HE2 LYS 48 lone 2 72 - 2 - HG3 ARG 49 - HE3 LYS 48 lone 1 65 - 2 - HB2 LEU 79 - HE3 LYS 85 lone 1 74 - 2 - HG2 ARG 141 - HE2 LYS 85 lone 1 96 - 1 - HG3 ARG 144 - HE2 LYS 85 lone 1 61 - 2 - HD2 LYS 61 - HE2 LYS 93 lone 1 91 - 1 - HD3 LYS 61 - HE2 LYS 93 lone 1 91 - 1 - HG2 ARG 144 - HE2 LYS 93 lone 1 100 - 1 - HG LEU 108 - HE2 LYS 85 lone 1 95 - 1 - HB2 LEU 79 - HE2 LYS 93 lone 1 96 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 1 76 - 1 - HG3 ARG 144 - HE3 LYS 85 lone 1 43 - 2 - HG LEU 108 - HE2 LYS 93 lone 1 96 - 1 - HG LEU 108 - HE3 LYS 85 lone 1 74 - 1 - HB2 LEU 79 - HE2 LYS 48 lone 1 96 - 1 - HD2 LYS 61 - HE2 LYS 85 lone 1 90 - 1 - HD3 LYS 61 - HE2 LYS 85 lone 1 90 - 1 - HD2 LYS 61 - HE2 LYS 48 lone 1 92 - 1 - HD3 LYS 61 - HE2 LYS 48 lone 1 92 - 1 - HB2 LEU 79 - HE3 LYS 48 lone 1 90 - 1 - HB2 LEU 97 - HE2 LYS 85 lone 1 98 - 1 - HD2 LYS 61 - HE3 LYS 48 lone 1 84 - 1 - HD3 LYS 61 - HE3 LYS 48 lone 1 84 - 1 - HG3 ARG 144 - HE2 LYS 93 lone 1 62 - 1 - HB3 LEU 64 - HE2 LYS 85 lone 1 61 - 1 - HD2 LYS 61 - HE3 LYS 85 lone 1 69 - 1 - HD3 LYS 61 - HE3 LYS 85 lone 1 69 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 1 78 - 1 - HG3 ARG 49 - HE2 LYS 93 lone 0 72 - 1 - HB3 LEU 64 - HE2 LYS 48 lone 0 62 - 1 - HB3 LEU 64 - HE3 LYS 85 lone 0 43 - 1 - HB3 LEU 64 - HE3 LYS 48 lone 0 56 - 1 - HB3 LEU 64 - HE2 LYS 93 lone 0 62 - 1 - HG3 ARG 49 - HE2 LYS 85 lone 0 71 - 0 - HG3 ARG 49 - HE3 LYS 85 lone 0 51 - 0 - Peak 1222 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.50 A): 7 out of 65 assignments used, quality = 1.00: * HD2 LYS 48 + HE2 LYS 48 OK 80 100 - 80 - 3.0=60, 1198/3.6=6...(37) HD2 LYS 48 + HE3 LYS 48 OK 77 96 - 80 - 3.0=60, 1198/3.6=6...(37) HD3 LYS 48 + HE2 LYS 48 OK 75 94 - 79 - 3.0=60, 1198/3.6=5...(36) HD3 LYS 48 + HE3 LYS 48 OK 69 87 - 79 - 3.0=60, 1198/3.6=5...(36) HD2 LYS 93 + HE2 LYS 93 OK 66 77 - 86 - 3.0=60, 1.8/3086=6...(40) HD3 LYS 93 + HE2 LYS 93 OK 53 62 - 85 - 3.0=60, 1.8/3075=5...(40) HD2 LYS 48 + HE2 LYS 93 OK 47 100 - 47 - 1202=4, 3074/3.0=4...(15) HD2 LYS 93 - HE2 LYS 48 OK 43 77 - 56 - 1.8/3086=4, 3075=4...(20) HD3 LYS 48 - HE2 LYS 93 OK 43 94 - 46 - 1202=3, 3074/3.0=3...(14) HD2 LYS 93 - HE2 LYS 85 OK 40 75 - 53 - 1.8/3086=4, 3075=3...(14) HD2 LYS 93 - HE3 LYS 48 OK 37 70 - 53 - 1.8/3086=4, 3075=3...(19) HD3 LYS 93 - HE2 LYS 48 OK 34 62 - 55 - 1.8/3075=4, 3086=3...(22) HD2 LYS 48 - HE2 LYS 85 OK 33 99 - 34 - 1202=3, 3.0/1191=2...(5) HD3 LYS 93 - HE2 LYS 85 OK 33 61 - 54 - 1.8/3075=4, 3086=3...(18) HD3 LYS 48 - HE2 LYS 85 OK 30 93 - 32 - 1202=2, 3.0/1191=2...(5) HD3 LYS 93 - HE3 LYS 48 OK 29 56 - 52 - 1.8/3075=4, 3086=3...(21) HD2 LYS 93 - HE3 LYS 85 OK 29 55 - 52 - 1.8/3086=4, 3075=3...(12) HD2 LYS 48 - HE3 LYS 85 OK 27 81 - 33 - 1203=3, 1202/1.8=2...(5) HD3 LYS 93 - HE3 LYS 85 OK 23 43 - 53 - 1.8/3075=4, 3086=3...(16) HD3 LYS 48 - HE3 LYS 85 OK 22 71 - 31 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 16 100 - 16 - 3130/3.0=3, ~3137=1, 3063/3.8=1 HG13 ILE 136 - HE2 LYS 93 poor 9 77 - 12 - HG2 ARG 89 - HE2 LYS 93 lone 9 100 - 9 - 3074/3.0=1 HB2 LYS 114 - HE2 LYS 93 poor 7 62 - 12 - ~3756=1, 3748/3.8=1 HB2 ARG 145 - HE2 LYS 85 lone 5 99 - 5 - HG2 ARG 140 - HE2 LYS 93 lone 5 81 - 6 - HB2 LYS 114 - HE2 LYS 48 lone 4 62 - 7 - HB2 ARG 145 - HE3 LYS 85 lone 4 79 - 5 - HB2 LYS 114 - HE3 LYS 48 lone 4 56 - 7 - HB2 LEU 95 - HE2 LYS 48 lone 4 100 - 4 - HB2 LEU 95 - HE2 LYS 85 lone 4 99 - 4 - HB2 MET 68 - HE2 LYS 48 lone 4 99 - 4 - HB2 LEU 95 - HE3 LYS 48 lone 3 96 - 4 - HB2 MET 68 - HE3 LYS 48 lone 3 93 - 3 - HG13 ILE 136 - HE2 LYS 48 lone 3 77 - 4 - HG13 ILE 136 - HE3 LYS 48 lone 3 70 - 4 - HB2 LEU 95 - HE3 LYS 85 lone 3 81 - 4 - HG2 ARG 89 - HE2 LYS 48 lone 3 100 - 3 - HG2 ARG 89 - HE3 LYS 48 lone 3 96 - 3 - HB2 MET 68 - HE2 LYS 93 lone 2 99 - 2 - HB VAL 71 - HE2 LYS 93 lone 2 100 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 99 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 2 100 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 2 99 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 2 94 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 2 79 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 100 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 1 94 - 2 - HB VAL 71 - HE2 LYS 48 lone 1 100 - 1 - HB2 ARG 145 - HE2 LYS 93 lone 1 99 - 1 - HG2 ARG 140 - HE2 LYS 48 lone 1 81 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 96 - 1 - HG13 ILE 136 - HE2 LYS 85 lone 1 75 - 2 - HG2 ARG 140 - HE3 LYS 48 lone 1 74 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 99 - 1 - HB2 LYS 114 - HE2 LYS 85 lone 1 61 - 1 - HG13 ILE 136 - HE3 LYS 85 lone 1 55 - 2 - HB2 MET 68 - HE2 LYS 85 lone 1 98 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 81 - 1 - HB VAL 71 - HE2 LYS 85 lone 1 99 - 1 - HB2 LYS 114 - HE3 LYS 85 lone 1 43 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 78 - 1 - HB VAL 71 - HE3 LYS 85 lone 0 81 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 0 80 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 0 59 - 1 - Peak 1223 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.50 A): 9 out of 55 assignments used, quality = 1.00: HD2 LYS 93 + HE2 LYS 93 OK 85 98 - 87 - 3.0=60, 3072/3.8=6...(40) * HD3 LYS 48 + HE2 LYS 48 OK 79 100 - 79 - 3.0=60, 1190/3.6=5...(36) HD3 LYS 48 + HE3 LYS 48 OK 76 96 - 79 - 3.0=60, 1190/3.6=5...(36) HD2 LYS 48 + HE2 LYS 48 OK 75 94 - 80 - 3.0=60, 1198/3.6=5...(37) HD2 LYS 48 + HE3 LYS 48 OK 70 87 - 80 - 3.0=60, 1198/3.6=5...(37) HD2 LYS 93 + HE2 LYS 48 OK 58 98 - 59 - 3075=5, 1.8/3086=4...(20) HD2 LYS 93 + HE2 LYS 85 OK 55 96 - 57 - 3075=5, 1.8/3086=4...(15) HD2 LYS 93 + HE3 LYS 48 OK 51 92 - 56 - 3075=5, 3075/1.8=4...(19) HD3 LYS 48 + HE2 LYS 93 OK 47 100 - 47 - 3084/3.0=3, 3074/3.0=3...(15) HD2 LYS 48 - HE2 LYS 93 OK 44 94 - 47 - 1202=4, 3074/3.0=3...(14) HD2 LYS 93 - HE3 LYS 85 OK 42 76 - 56 - 3075=5, 3075/1.8=4...(13) HD3 LYS 48 - HE2 LYS 85 OK 32 99 - 32 - 1202=2, 3.0/1191=2...(6) HD2 LYS 48 - HE2 LYS 85 OK 31 93 - 33 - 1202=3, 3.0/1191=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 26 81 - 32 - 1203=2, 3.0/1191=2...(6) HD2 LYS 48 - HE3 LYS 85 OK 23 71 - 33 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 14 94 - 15 - 3130/3.0=3, ~3137=1, 3084/3.0=1 HG3 ARG 141 - HE2 LYS 48 OK 11 85 - 12 - 1190/3.6=1, 1179/3.6=1 HG3 ARG 141 - HE3 LYS 48 poor 9 78 - 12 - 1190/3.6=1, 1179/3.6=1 HG2 ARG 89 - HE2 LYS 93 lone 9 94 - 9 - 3074/3.0=1 HG3 ARG 141 - HE2 LYS 93 poor 9 85 - 10 - HB2 ARG 145 - HE2 LYS 85 lone 5 98 - 5 - HG LEU 97 - HE2 LYS 48 lone 4 81 - 5 - HB2 ARG 145 - HE3 LYS 85 lone 4 78 - 5 - HG LEU 97 - HE2 LYS 93 lone 4 81 - 4 - HG LEU 97 - HE3 LYS 48 lone 4 74 - 5 - HB2 LEU 95 - HE2 LYS 48 lone 3 94 - 3 - HB2 LEU 95 - HE2 LYS 85 lone 3 93 - 4 - HB2 LEU 95 - HE3 LYS 48 lone 3 87 - 3 - HB2 MET 68 - HE2 LYS 48 lone 3 81 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 3 94 - 3 - HB2 LEU 95 - HE3 LYS 85 lone 2 71 - 3 - HB2 MET 68 - HE3 LYS 48 lone 2 74 - 3 - HG2 ARG 89 - HE3 LYS 48 lone 2 87 - 3 - HB VAL 71 - HE2 LYS 93 lone 2 94 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 83 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HB2 MET 68 - HE2 LYS 93 lone 2 81 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 2 85 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 1 93 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 1 85 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 99 - 1 - HG3 ARG 141 - HE2 LYS 85 lone 1 83 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 1 78 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 1 62 - 2 - HB VAL 71 - HE2 LYS 48 lone 1 94 - 1 - HB VAL 71 - HE3 LYS 48 lone 1 87 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 93 - 1 - HG3 ARG 141 - HE3 LYS 85 lone 1 62 - 1 - HG LEU 97 - HE2 LYS 85 lone 1 80 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 71 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 80 - 1 - HG LEU 97 - HE3 LYS 85 lone 1 59 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 93 - 1 - HB2 MET 68 - HE3 LYS 85 lone 0 59 - 1 - HB VAL 71 - HE3 LYS 85 lone 0 71 - 0 - Peak 1224 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 48 + HE2 LYS 48 OK 100 100 - 100 HE2 LYS 93 + HE2 LYS 93 OK 100 100 - 100 HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 93 93 - 100 HE3 LYS 85 + HE3 LYS 85 OK 71 71 - 100 Peak 1225 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 93 + HE2 LYS 93 OK 99 99 - 100 HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE2 LYS 48 + HE2 LYS 48 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 96 96 - 100 HE3 LYS 85 + HE3 LYS 85 OK 79 79 - 100 Reference assignment not found: HE3 LYS 48 - HE2 LYS 48 Peak 1228 from cnoeabs.peaks (3.95, 2.95, 41.80 ppm; 4.24 A): 6 out of 42 assignments used, quality = 1.00: * HA LYS 48 + HE3 LYS 48 OK 92 100 - 92 - 6.0=35, 1141/3.6=25...(52) HA LYS 48 + HE2 LYS 48 OK 88 96 - 92 - 6.0=35, 1141/3.6=25...(54) HA LYS 48 + HE2 LYS 93 OK 64 98 - 66 - 1143/3.0=8, 1144/3.0=7...(43) HA LYS 48 + HE3 LYS 93 OK 54 81 - 67 - 1143/3.0=8, 1144/3.0=7...(51) HA LYS 48 + HE2 LYS 85 OK 50 99 - 51 - 1145=5, 1145/1.8=4...(26) HA LYS 48 + HE3 LYS 85 OK 50 98 - 51 - 1145=5, 1145/1.8=4...(29) HA PHE 106 - HE3 LYS 48 OK 44 98 - 45 - 3421=6, 3421/1.8=6...(16) HA PHE 106 - HE2 LYS 48 OK 41 92 - 45 - 3421=6, 3421/1.8=6...(16) HA3 GLY 94 - HE2 LYS 93 OK 38 97 - 39 - 9054/5.1=10, 9046/5.9=5...(9) HA3 GLY 94 - HE3 LYS 93 OK 31 79 - 39 - 9054/5.1=10, 9046/5.9=5...(9) HB3 SER 103 - HE3 LYS 48 OK 27 89 - 30 - 10146=6, 1.8/10148=5...(10) HA PHE 106 - HE2 LYS 85 OK 25 96 - 25 - 3421=4, 3421/1.8=3...(12) HB3 SER 103 - HE2 LYS 48 OK 24 81 - 30 - 10146=5, 1.8/10148=5...(10) HA PHE 106 - HE3 LYS 85 OK 24 95 - 25 - 3421/1.8=3, 3421=3...(12) HA3 GLY 94 - HE3 LYS 48 OK 18 100 - 18 - 1173/3.6=3, 1184/3.6=2...(8) HA3 GLY 94 - HE2 LYS 48 OK 17 94 - 18 - 1173/3.6=3, 1184/3.6=2...(8) HA PHE 106 - HE2 LYS 93 OK 15 95 - 15 - 3421=2, 3.0/7239=2...(6) HB3 SER 103 - HE2 LYS 93 OK 14 85 - 17 - 10146=3, 1.8/10148=3...(5) HA LEU 29 - HE2 LYS 85 OK 12 75 - 16 - 341/3.5=2, 3.0/11381=1...(7) HA LEU 29 - HE3 LYS 85 OK 12 73 - 16 - 341/3.5=2, ~11381=1...(7) HA ALA 60 - HE2 LYS 85 OK 11 99 - 11 - 1643/3.5=3, ~2619=2...(5) HA PHE 106 - HE3 LYS 93 OK 11 76 - 14 - 3421/1.8=2, 3421=2...(6) HB3 SER 103 - HE3 LYS 93 OK 11 66 - 17 - 10146=3, 10152/5.9=2...(6) HA ALA 60 - HE3 LYS 85 OK 11 97 - 11 - 1643/3.5=3, ~2619=2...(5) HA ALA 60 - HE3 LYS 48 OK 10 100 - 10 - 1173/3.6=2, 1184/3.6=2 HA ALA 60 - HE2 LYS 48 poor 10 94 - 10 - 1173/3.6=2, 1184/3.6=2 HB3 SER 103 - HE2 LYS 85 lone 7 87 - 8 - 10146=1, 1.8/10148=1 HB3 SER 103 - HE3 LYS 85 lone 7 85 - 8 - 10146=1, 1.8/10148=1...(4) HA3 GLY 94 - HE2 LYS 85 lone 6 99 - 6 - ~7102=1, 9054/3091=1 HA3 GLY 94 - HE3 LYS 85 lone 6 97 - 6 - ~7102=1, 9054/3102=1 HA LEU 29 - HE2 LYS 93 lone 6 73 - 8 - 3.0/11381=1 HA LEU 29 - HE3 LYS 48 lone 5 77 - 6 - HA LEU 29 - HE2 LYS 48 lone 5 70 - 6 - HA LEU 29 - HE3 LYS 93 lone 4 55 - 7 - ~11381=1 HD3 PRO 129 - HE3 LYS 48 lone 3 81 - 3 - HD3 PRO 129 - HE2 LYS 48 lone 2 74 - 3 - HA ALA 60 - HE2 LYS 93 lone 2 97 - 2 - HA ALA 60 - HE3 LYS 93 lone 2 79 - 2 - HD3 PRO 129 - HE2 LYS 85 lone 1 80 - 2 - HD3 PRO 129 - HE2 LYS 93 lone 1 77 - 2 - HD3 PRO 129 - HE3 LYS 85 lone 1 77 - 1 - HD3 PRO 129 - HE3 LYS 93 lone 1 59 - 1 - Peak 1229 from cnoeabs.peaks (1.87, 2.95, 41.80 ppm; 3.04 A): 15 out of 48 assignments used, quality = 1.00: * HB2 LYS 48 + HE3 LYS 48 OK 84 100 - 84 - 4.9=24, 1153/3.6=7...(74) HB3 LYS 85 + HE2 LYS 85 OK 81 93 - 88 - 4.8=25, 1.8/2650=7...(70) HB3 LYS 48 + HE3 LYS 48 OK 80 96 - 83 - 4.9=24, 1174/3.6=6...(73) HB2 LYS 48 + HE2 LYS 48 OK 80 96 - 84 - 4.9=24, 1153/3.6=7...(75) HB3 LYS 85 + HE3 LYS 85 OK 79 90 - 88 - 4.8=25, 1.8/2661=7...(67) HB3 LYS 48 + HE2 LYS 48 OK 75 90 - 83 - 4.9=24, 1174/3.6=6...(74) HB2 LYS 48 + HE2 LYS 93 OK 63 98 - 64 - 2.9/1191=4, 2.9/1180=4...(52) HB3 LYS 48 + HE2 LYS 93 OK 58 93 - 62 - 2.9/1191=4, 2.9/1180=4...(52) HB2 LYS 48 + HE3 LYS 93 OK 53 81 - 66 - 2.9/1191=3, 2.9/1181=3...(56) HB3 LYS 85 + HE2 LYS 93 OK 52 90 - 58 - 1.8/2650=4, 3.0/2652=4...(42) HB2 LYS 48 + HE2 LYS 85 OK 50 99 - 50 - 2.9/1180=3, 2.9/1191=3...(25) HB2 LYS 48 + HE3 LYS 85 OK 49 98 - 50 - 2607/3.5=3, 2618/3.5=3...(30) HB3 LYS 48 + HE3 LYS 93 OK 47 74 - 64 - 2.9/1191=3, 2.9/1181=3...(54) HB3 LYS 48 + HE2 LYS 85 OK 47 95 - 50 - 2.9/1180=3, 2.9/1191=3...(29) HB3 LYS 48 + HE3 LYS 85 OK 46 93 - 50 - 2.9/1191=3, 2.9/1180=3...(36) HB3 LYS 85 - HE3 LYS 48 OK 44 94 - 47 - 1.8/2650=3, 3.0/2652=3...(32) HB3 LYS 85 - HE2 LYS 48 OK 43 87 - 49 - 1.8/2650=3, 3.0/2652=3...(30) HB3 LYS 85 - HE3 LYS 93 OK 41 71 - 58 - 1.8/2661=4, 3.0/2663=4...(41) HB3 LYS 76 - HE2 LYS 85 OK 30 80 - 38 - 2597/3.5=4, 2618/3.5=3...(13) HB3 LYS 76 - HE3 LYS 85 OK 29 77 - 38 - 2597/3.5=4, 2618/3.5=3...(16) HB2 LYS 36 - HE3 LYS 48 OK 16 99 - 16 - 1174/3.6=3, 1185/3.6=3 HB2 LYS 36 - HE2 LYS 48 OK 16 93 - 17 - 1174/3.6=3, 1185/3.6=3 HB3 LYS 76 - HE2 LYS 93 OK 16 77 - 20 - 2268/3.8=2, 2595/3.0=1...(6) HB2 ARG 144 - HE3 LYS 48 OK 12 100 - 12 - 4888/3.6=3, 1174/3.6=2 HB3 LYS 76 - HE3 LYS 93 OK 12 59 - 21 - 2268/3.8=2, 2595/3.0=1...(5) HB2 ARG 144 - HE2 LYS 48 OK 12 94 - 12 - 4888/3.6=3, 1174/3.6=2 HB2 LYS 36 - HE2 LYS 85 OK 11 98 - 11 - HB3 GLU 28 - HE2 LYS 93 OK 11 73 - 15 - ~8049=5, 3.0/8049=2...(5) HB2 LYS 36 - HE3 LYS 85 OK 10 96 - 10 - HB2 LYS 36 - HE2 LYS 93 lone 9 96 - 9 - HB3 LYS 76 - HE3 LYS 48 poor 9 81 - 11 - HB3 LYS 76 - HE2 LYS 48 poor 8 74 - 11 - HB3 GLU 28 - HE2 LYS 85 lone 7 75 - 9 - 3.0/8049=1, ~8050=1 HB2 LYS 36 - HE3 LYS 93 lone 7 78 - 9 - HB3 GLU 28 - HE3 LYS 85 lone 7 73 - 9 - 3.0/8049=1, 3.0/8050=1 HB2 ARG 144 - HE2 LYS 85 lone 7 99 - 7 - HB2 ARG 144 - HE3 LYS 85 lone 6 97 - 6 - HB3 GLU 28 - HE3 LYS 93 poor 6 55 - 12 - 3.0/8050=3, 3.0/8049=2...(5) HB3 GLU 28 - HE3 LYS 48 lone 5 77 - 7 - 3.0/8049=2, ~8049=1 HB3 GLU 28 - HE2 LYS 48 lone 5 70 - 7 - 3.0/8049=2, ~8049=1 HG LEU 69 - HE2 LYS 85 lone 4 87 - 5 - HG LEU 69 - HE3 LYS 85 lone 4 85 - 5 - HG LEU 69 - HE2 LYS 93 lone 4 85 - 4 - HG LEU 69 - HE3 LYS 48 lone 3 89 - 3 - HG LEU 69 - HE2 LYS 48 lone 3 81 - 3 - HG LEU 69 - HE3 LYS 93 lone 3 66 - 4 - HB2 ARG 144 - HE2 LYS 93 lone 2 97 - 2 - HB2 ARG 144 - HE3 LYS 93 lone 1 79 - 2 - Peak 1230 from cnoeabs.peaks (1.87, 2.95, 41.80 ppm; 3.04 A): 15 out of 48 assignments used, quality = 1.00: * HB3 LYS 48 + HE3 LYS 48 OK 83 100 - 83 - 4.9=24, 1165/3.6=6...(73) HB2 LYS 48 + HE3 LYS 48 OK 81 96 - 84 - 4.9=24, 1153/3.6=6...(74) HB3 LYS 48 + HE2 LYS 48 OK 80 96 - 83 - 4.9=24, 1165/3.6=6...(74) HB2 LYS 48 + HE2 LYS 48 OK 75 90 - 84 - 4.9=24, 1153/3.6=6...(75) HB3 LYS 48 + HE2 LYS 93 OK 62 98 - 63 - 2.9/1191=4, 2.9/1180=4...(52) HB3 LYS 85 + HE2 LYS 85 OK 61 71 - 87 - 4.8=25, 1.8/2650=7...(69) HB2 LYS 48 + HE2 LYS 93 OK 59 93 - 64 - 2.9/1191=4, 2.9/1180=4...(51) HB3 LYS 85 + HE3 LYS 85 OK 59 68 - 87 - 4.8=25, 1.8/2661=7...(66) HB3 LYS 48 + HE3 LYS 93 OK 52 81 - 65 - 2.9/1191=3, 2.9/1181=3...(54) HB3 LYS 48 + HE2 LYS 85 OK 49 99 - 50 - 2.9/1180=3, 2.9/1191=3...(29) HB2 LYS 48 + HE3 LYS 93 OK 49 74 - 66 - 2.9/1191=3, 2.9/1181=3...(55) HB3 LYS 48 + HE3 LYS 85 OK 48 98 - 50 - 2.9/1191=3, 2.9/1180=3...(36) HB3 LYS 93 + HE2 LYS 93 OK 47 54 - 88 - 5.1=21, ~3069=11...(72) HB2 LYS 48 + HE2 LYS 85 OK 47 95 - 49 - 2.9/1180=3, 2.9/1191=3...(24) HB2 LYS 48 + HE3 LYS 85 OK 45 93 - 49 - 2.9/1191=3, 2.9/1180=3...(29) HB3 LYS 93 - HE3 LYS 48 OK 41 57 - 71 - ~3069=4, 2.9/3065=3...(51) HB3 LYS 93 - HE2 LYS 85 OK 40 56 - 72 - 2.9/3064=3, 3.4/3075=3...(52) HB3 LYS 85 - HE2 LYS 93 OK 38 68 - 56 - 1.8/2650=4, 3.0/2652=4...(41) HB3 LYS 93 - HE3 LYS 85 OK 38 54 - 71 - 2.9/3065=4, 1.8/3031=3...(47) HB3 LYS 93 - HE2 LYS 48 OK 38 51 - 74 - ~3069=4, 2.9/3064=3...(57) HB3 LYS 93 - HE3 LYS 93 OK 35 39 - 88 - 5.1=21, ~3069=11...(70) HB3 LYS 85 - HE3 LYS 48 OK 33 72 - 45 - 1.8/2650=3, 3.0/2652=3...(32) HB3 LYS 85 - HE2 LYS 48 OK 31 65 - 47 - 1.8/2650=3, 3.0/2652=3...(30) HB3 LYS 85 - HE3 LYS 93 OK 29 51 - 56 - 1.8/2661=4, 3.0/2663=4...(40) HB2 LYS 36 - HE3 LYS 48 OK 16 100 - 16 - 1175/3.6=2, 1186/3.6=2 HB2 LYS 36 - HE2 LYS 48 OK 16 95 - 17 - 1175/3.6=2, 1186/3.6=2 HB3 ARG 141 - HE3 LYS 48 OK 12 72 - 16 - 1175/3.6=1, 1186/3.6=1 HB2 ARG 144 - HE3 LYS 48 OK 12 100 - 12 - 4888/3.6=3, 1174/3.6=2 HB2 ARG 144 - HE2 LYS 48 OK 11 94 - 12 - 4888/3.6=3, 1174/3.6=2 HB3 ARG 141 - HE2 LYS 48 OK 11 65 - 17 - 1175/3.6=1, 1186/3.6=1 HB2 LYS 36 - HE2 LYS 85 OK 10 99 - 10 - HB2 LYS 36 - HE3 LYS 85 lone 10 98 - 10 - HB2 LYS 36 - HE2 LYS 93 lone 9 98 - 10 - HB3 ARG 141 - HE2 LYS 93 poor 9 68 - 13 - 4791/3.0=2 HB2 LYS 36 - HE3 LYS 93 lone 7 80 - 9 - HB3 ARG 141 - HE3 LYS 93 poor 7 51 - 13 - 4791/3.0=2 HB2 ARG 144 - HE2 LYS 85 lone 6 99 - 6 - HB2 ARG 144 - HE3 LYS 85 lone 6 97 - 6 - HG LEU 69 - HE2 LYS 85 lone 2 61 - 4 - HG LEU 69 - HE3 LYS 85 lone 2 59 - 4 - HB3 ARG 141 - HE2 LYS 85 lone 2 71 - 3 - HG LEU 69 - HE2 LYS 93 lone 2 59 - 4 - HB3 ARG 141 - HE3 LYS 85 lone 2 68 - 3 - HB2 ARG 144 - HE2 LYS 93 lone 2 97 - 2 - HG LEU 69 - HE3 LYS 48 lone 2 62 - 3 - HG LEU 69 - HE2 LYS 48 lone 2 56 - 3 - HG LEU 69 - HE3 LYS 93 lone 2 43 - 4 - HB2 ARG 144 - HE3 LYS 93 lone 1 79 - 2 - Peak 1231 from cnoeabs.peaks (1.45, 2.95, 41.80 ppm; 2.73 A): 4 out of 36 assignments used, quality = 0.99: * HG2 LYS 48 + HE3 LYS 48 OK 84 100 - 84 - 3.6=44, 1198/3.0=9...(27) HG2 LYS 48 + HE2 LYS 48 OK 81 96 - 85 - 3.6=44, 1198/3.0=9...(27) HG2 LYS 48 + HE2 LYS 93 OK 57 98 - 59 - 1178/3.0=5, 1179/3.0=5...(28) HG2 LYS 48 + HE3 LYS 93 OK 48 81 - 60 - 1178/3.0=5, 1179/3.0=5...(26) HG2 LYS 48 - HE2 LYS 85 OK 42 99 - 42 - 1180=4, 1.8/1191=3...(14) HG2 LYS 48 - HE3 LYS 85 OK 41 98 - 41 - 1180=3, 1180/1.8=3...(13) HB2 LYS 76 - HE2 LYS 85 OK 28 83 - 33 - 2255/3.5=2, 2.9/10982=2...(9) HB2 LYS 76 - HE3 LYS 85 OK 27 81 - 33 - 2255/3.5=2, ~2597=2...(8) HB2 LYS 76 - HE2 LYS 93 OK 15 81 - 19 - 1209/3.0=2, 2286/3.8=2, ~3080=1 HB3 LYS 114 - HE2 LYS 93 OK 13 85 - 15 - 3756/3.0=3, 3760/3.8=2...(4) HB2 LYS 76 - HE3 LYS 93 OK 12 62 - 19 - 1209/3.0=2, 2286/3.8=2, ~3080=1 HB3 LEU 66 - HE2 LYS 85 OK 11 99 - 11 - 3.1/9860=1, 3.1/8403=1 HB3 LEU 66 - HE3 LYS 85 OK 11 97 - 11 - 3.1/9860=1 HB3 LYS 114 - HE3 LYS 48 OK 11 89 - 12 - 1187/3.6=2, 1198/3.0=1 HB3 LYS 114 - HE3 LYS 93 OK 10 66 - 15 - 3756/3.0=3, 3760/3.8=2...(4) HB3 LYS 114 - HE2 LYS 48 poor 10 81 - 12 - 1187/3.6=2, 1198/3.0=1 HB2 LYS 76 - HE3 LYS 48 lone 8 85 - 9 - HB2 LYS 76 - HE2 LYS 48 lone 8 78 - 10 - HG LEU 126 - HE2 LYS 85 poor 8 61 - 13 - HG LEU 126 - HE3 LYS 85 poor 7 59 - 12 - HB3 LEU 66 - HE3 LYS 48 lone 6 100 - 6 - HB3 LEU 66 - HE2 LYS 48 lone 6 94 - 6 - HB3 LYS 123 - HE3 LYS 48 lone 5 100 - 5 - HB3 LYS 123 - HE2 LYS 85 lone 5 99 - 5 - HB3 LYS 123 - HE3 LYS 85 lone 4 97 - 5 - HB3 LYS 123 - HE2 LYS 48 lone 4 94 - 5 - HG LEU 126 - HE2 LYS 93 lone 4 59 - 7 - ~10257=1, 4293/5.1=1 HB3 LEU 66 - HE2 LYS 93 lone 4 97 - 4 - HG LEU 126 - HE3 LYS 93 lone 3 43 - 7 - ~10257=1, 4293/5.1=1 HB3 LEU 66 - HE3 LYS 93 lone 3 79 - 3 - HG LEU 126 - HE3 LYS 48 lone 2 62 - 4 - HB3 LYS 114 - HE2 LYS 85 lone 2 87 - 3 - HG LEU 126 - HE2 LYS 48 lone 2 56 - 4 - HB3 LYS 114 - HE3 LYS 85 lone 2 85 - 3 - HB3 LYS 123 - HE2 LYS 93 lone 2 97 - 2 - HB3 LYS 123 - HE3 LYS 93 lone 2 79 - 2 - Peak 1232 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.50 A): 3 out of 78 assignments used, quality = 0.96: * HG3 LYS 48 + HE3 LYS 48 OK 74 100 - 74 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE2 LYS 48 OK 72 96 - 75 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE2 LYS 93 OK 47 98 - 48 - 1189/3.0=4, 1191=4...(22) HG3 LYS 48 - HE3 LYS 93 OK 41 81 - 52 - 1189/3.0=4, 1191/1.8=3...(23) HG3 LYS 48 - HE2 LYS 85 OK 34 99 - 34 - 1191=3, 1.8/1180=2...(8) HG3 LYS 48 - HE3 LYS 85 OK 34 98 - 35 - 1191=3, 1191/1.8=3...(10) HG3 LYS 36 - HE3 LYS 48 OK 14 92 - 15 - 1187/3.6=2, 1199/3.0=2...(5) HG3 LYS 36 - HE2 LYS 48 OK 13 84 - 16 - 1187/3.6=2, 1199/3.0=2...(5) HB2 LEU 87 - HE3 LYS 85 OK 13 63 - 21 - 3.2/10052=4, ~8895=2...(12) HB2 LEU 87 - HE2 LYS 85 OK 12 66 - 18 - 3.2/10052=3, ~10052=2...(10) HG2 ARG 141 - HE3 LYS 48 OK 11 98 - 11 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 141 - HE2 LYS 48 OK 10 92 - 11 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 144 - HE3 LYS 48 lone 9 100 - 9 - 1177/3.6=2, 4800/3.0=1 HG2 ARG 144 - HE2 LYS 48 lone 9 95 - 9 - 1177/3.6=2, 4800/3.0=1 HG2 ARG 141 - HE2 LYS 93 lone 7 95 - 8 - 4800/3.0=1 HG3 LYS 36 - HE2 LYS 93 lone 7 88 - 8 - HG3 LYS 36 - HE2 LYS 85 lone 7 90 - 7 - HG3 LYS 36 - HE3 LYS 85 lone 7 88 - 7 - HG2 ARG 141 - HE3 LYS 93 lone 6 76 - 8 - 4800/3.0=1 HG3 LYS 36 - HE3 LYS 93 lone 6 69 - 8 - HB2 LEU 87 - HE3 LYS 48 lone 5 68 - 8 - 3.2/10052=1 HG3 ARG 144 - HE3 LYS 48 lone 5 62 - 8 - 1177/3.6=1 HB2 LEU 97 - HE3 LYS 48 lone 5 99 - 5 - HB2 LEU 97 - HE2 LYS 48 lone 5 93 - 5 - HG3 ARG 144 - HE2 LYS 48 lone 5 56 - 8 - 1177/3.6=1 HB2 LEU 87 - HE2 LYS 48 lone 4 60 - 6 - HB2 LEU 97 - HE2 LYS 93 lone 4 96 - 4 - HG2 ARG 144 - HE2 LYS 85 lone 3 99 - 3 - HG2 ARG 144 - HE3 LYS 85 lone 3 98 - 3 - HB2 LEU 97 - HE3 LYS 93 lone 3 78 - 3 - HG LEU 108 - HE3 LYS 48 lone 2 96 - 2 - HB2 LEU 87 - HE2 LYS 93 lone 2 63 - 4 - HG LEU 108 - HE2 LYS 48 lone 2 90 - 2 - HB2 LEU 87 - HE3 LYS 93 lone 2 47 - 5 - 3.2/10052=1 HB2 LEU 79 - HE2 LYS 85 lone 2 95 - 2 - HB2 LEU 79 - HE3 LYS 85 lone 2 93 - 2 - HG3 ARG 49 - HE3 LYS 48 lone 2 72 - 2 - HG3 ARG 49 - HE2 LYS 48 lone 1 65 - 2 - HG2 ARG 141 - HE2 LYS 85 lone 1 96 - 1 - HG3 ARG 144 - HE2 LYS 85 lone 1 61 - 2 - HG2 ARG 141 - HE3 LYS 85 lone 1 95 - 1 - HG3 ARG 144 - HE3 LYS 85 lone 1 59 - 2 - HD2 LYS 61 - HE2 LYS 93 lone 1 88 - 1 - HD3 LYS 61 - HE2 LYS 93 lone 1 88 - 1 - HG LEU 108 - HE2 LYS 85 lone 1 95 - 1 - HG2 ARG 144 - HE2 LYS 93 lone 1 98 - 1 - HG LEU 108 - HE3 LYS 85 lone 1 93 - 1 - HB2 LEU 79 - HE2 LYS 93 lone 1 93 - 1 - HD2 LYS 61 - HE3 LYS 93 lone 1 69 - 1 - HD3 LYS 61 - HE3 LYS 93 lone 1 69 - 1 - HG2 ARG 144 - HE3 LYS 93 lone 1 80 - 1 - HD2 LYS 61 - HE2 LYS 85 lone 1 90 - 1 - HD3 LYS 61 - HE2 LYS 85 lone 1 90 - 1 - HG LEU 108 - HE2 LYS 93 lone 1 93 - 1 - HD2 LYS 61 - HE3 LYS 85 lone 1 88 - 1 - HD3 LYS 61 - HE3 LYS 85 lone 1 88 - 1 - HB2 LEU 79 - HE3 LYS 48 lone 1 96 - 1 - HB2 LEU 79 - HE2 LYS 48 lone 1 90 - 1 - HB2 LEU 79 - HE3 LYS 93 lone 1 74 - 1 - HB2 LEU 97 - HE2 LYS 85 lone 1 98 - 1 - HD2 LYS 61 - HE3 LYS 48 lone 1 92 - 1 - HD3 LYS 61 - HE3 LYS 48 lone 1 92 - 1 - HD2 LYS 61 - HE2 LYS 48 lone 1 84 - 1 - HD3 LYS 61 - HE2 LYS 48 lone 1 84 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 1 96 - 1 - HG LEU 108 - HE3 LYS 93 lone 1 74 - 1 - HB3 LEU 64 - HE2 LYS 85 lone 1 61 - 1 - HB3 LEU 64 - HE3 LYS 85 lone 1 59 - 1 - HG3 ARG 144 - HE2 LYS 93 lone 1 59 - 1 - HG3 ARG 49 - HE2 LYS 93 lone 0 68 - 1 - HB3 LEU 64 - HE3 LYS 48 lone 0 62 - 1 - HG3 ARG 144 - HE3 LYS 93 lone 0 43 - 1 - HB3 LEU 64 - HE2 LYS 48 lone 0 56 - 1 - HG3 ARG 49 - HE2 LYS 85 lone 0 71 - 0 - HB3 LEU 64 - HE2 LYS 93 lone 0 59 - 1 - HG3 ARG 49 - HE3 LYS 85 lone 0 68 - 0 - HG3 ARG 49 - HE3 LYS 93 lone 0 51 - 1 - HB3 LEU 64 - HE3 LYS 93 lone 0 43 - 1 - Peak 1233 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.50 A): 8 out of 78 assignments used, quality = 1.00: * HD2 LYS 48 + HE3 LYS 48 OK 80 100 - 80 - 3.0=60, 1198/3.6=6...(37) HD2 LYS 48 + HE2 LYS 48 OK 77 96 - 80 - 3.0=60, 1198/3.6=6...(37) HD3 LYS 48 + HE3 LYS 48 OK 75 94 - 79 - 3.0=60, 1198/3.6=5...(36) HD3 LYS 48 + HE2 LYS 48 OK 69 87 - 79 - 3.0=60, 1198/3.6=5...(36) HD2 LYS 93 + HE2 LYS 93 OK 63 73 - 86 - 3.0=60, 1.8/3086=6...(40) HD3 LYS 93 + HE2 LYS 93 OK 50 59 - 85 - 3.0=60, 1.8/3075=5...(40) HD2 LYS 93 + HE3 LYS 93 OK 47 55 - 86 - 3.0=60, 1.8/3087=6...(37) HD2 LYS 48 + HE2 LYS 93 OK 46 98 - 47 - 1202=4, 3074/3.0=4...(15) HD3 LYS 48 - HE2 LYS 93 OK 41 90 - 46 - 3074/3.0=3, 1202=3...(14) HD2 LYS 93 - HE3 LYS 48 OK 41 77 - 53 - 1.8/3086=4, 3075=3...(19) HD2 LYS 93 - HE2 LYS 85 OK 40 75 - 53 - 1.8/3086=4, 3075=3...(14) HD2 LYS 93 - HE2 LYS 48 OK 39 70 - 56 - 1.8/3086=4, 3075=4...(20) HD2 LYS 48 - HE3 LYS 93 OK 39 81 - 48 - 1203=4, 3074/3.0=4...(20) HD2 LYS 93 - HE3 LYS 85 OK 38 73 - 53 - 1.8/3087=4, 3076=3...(12) HD3 LYS 93 - HE3 LYS 93 OK 37 43 - 85 - 3.0=60, 1.8/3076=5...(35) HD3 LYS 48 - HE3 LYS 93 OK 33 71 - 47 - 3074/3.0=3, 1203=3...(20) HD2 LYS 48 - HE2 LYS 85 OK 33 99 - 33 - 1202=3, 3.0/1191=2...(5) HD3 LYS 93 - HE2 LYS 85 OK 33 61 - 54 - 1.8/3075=4, 3086=3...(18) HD2 LYS 48 - HE3 LYS 85 OK 32 98 - 33 - 1203=3, 1202/1.8=2...(5) HD3 LYS 93 - HE3 LYS 48 OK 32 62 - 52 - 1.8/3075=4, 3086=3...(21) HD3 LYS 93 - HE3 LYS 85 OK 31 59 - 53 - 1.8/3076=4, 3087=3...(16) HD3 LYS 93 - HE2 LYS 48 OK 31 56 - 55 - 1.8/3075=4, 3086=3...(22) HD3 LYS 48 - HE2 LYS 85 OK 29 93 - 32 - 1202=2, 3.0/1191=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 28 90 - 32 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 15 98 - 16 - 3130/3.0=3, ~3137=1, 3063/3.8=1 HB2 LEU 95 - HE3 LYS 93 OK 12 81 - 16 - 3130/3.0=3, ~3137=1, 3063/3.8=1 HG2 ARG 89 - HE2 LYS 93 lone 9 98 - 9 - 3074/3.0=1 HG13 ILE 136 - HE2 LYS 93 poor 9 73 - 12 - HG2 ARG 89 - HE3 LYS 93 lone 7 81 - 9 - 3074/3.0=1 HB2 LYS 114 - HE2 LYS 93 poor 7 59 - 12 - ~3756=1, 3748/3.8=1 HG13 ILE 136 - HE3 LYS 93 poor 7 55 - 12 - HB2 LYS 114 - HE3 LYS 93 poor 5 43 - 12 - ~3756=1, 3748/3.8=1 HB2 ARG 145 - HE2 LYS 85 lone 5 99 - 5 - HB2 ARG 145 - HE3 LYS 85 lone 5 97 - 5 - HG2 ARG 140 - HE2 LYS 93 lone 5 77 - 6 - HB2 LYS 114 - HE3 LYS 48 lone 4 62 - 7 - HB2 LYS 114 - HE2 LYS 48 lone 4 56 - 7 - HB2 LEU 95 - HE2 LYS 85 lone 4 99 - 4 - HB2 LEU 95 - HE3 LYS 48 lone 4 100 - 4 - HB2 LEU 95 - HE3 LYS 85 lone 4 98 - 4 - HB2 MET 68 - HE3 LYS 48 lone 3 99 - 3 - HB2 LEU 95 - HE2 LYS 48 lone 3 96 - 4 - HG2 ARG 140 - HE3 LYS 93 lone 3 59 - 6 - HB2 MET 68 - HE2 LYS 48 lone 3 93 - 3 - HG13 ILE 136 - HE3 LYS 48 lone 3 77 - 4 - HG13 ILE 136 - HE2 LYS 48 lone 3 70 - 4 - HG2 ARG 89 - HE3 LYS 48 lone 3 100 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 3 96 - 3 - HB2 MET 68 - HE2 LYS 93 lone 2 96 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 99 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 2 97 - 2 - HB VAL 71 - HE2 LYS 93 lone 2 98 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 2 100 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 2 97 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 2 94 - 2 - HB VAL 71 - HE3 LYS 93 lone 2 81 - 2 - HB2 MET 68 - HE3 LYS 93 lone 2 78 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 2 100 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 94 - 2 - HG2 ARG 124 - HE3 LYS 93 lone 1 79 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 100 - 1 - HB VAL 71 - HE2 LYS 48 lone 1 96 - 1 - HB2 ARG 145 - HE2 LYS 93 lone 1 97 - 1 - HG2 ARG 140 - HE3 LYS 48 lone 1 81 - 1 - HG13 ILE 136 - HE2 LYS 85 lone 1 75 - 2 - HG2 ARG 140 - HE2 LYS 48 lone 1 74 - 2 - HG13 ILE 136 - HE3 LYS 85 lone 1 73 - 2 - HB2 ARG 145 - HE3 LYS 93 lone 1 79 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 99 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 98 - 1 - HB2 LYS 114 - HE2 LYS 85 lone 1 61 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 98 - 1 - HB2 LYS 114 - HE3 LYS 85 lone 1 59 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 96 - 1 - HB VAL 71 - HE2 LYS 85 lone 1 99 - 1 - HB VAL 71 - HE3 LYS 85 lone 1 98 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 0 80 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 0 77 - 1 - Peak 1234 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.50 A): 11 out of 66 assignments used, quality = 1.00: HD2 LYS 93 + HE2 LYS 93 OK 82 95 - 87 - 3.0=60, 3072/3.8=6...(40) * HD3 LYS 48 + HE3 LYS 48 OK 79 100 - 79 - 3.0=60, 1190/3.6=5...(36) HD3 LYS 48 + HE2 LYS 48 OK 76 96 - 79 - 3.0=60, 1190/3.6=5...(36) HD2 LYS 48 + HE3 LYS 48 OK 75 94 - 80 - 3.0=60, 1198/3.6=5...(37) HD2 LYS 48 + HE2 LYS 48 OK 70 87 - 80 - 3.0=60, 1198/3.6=5...(37) HD2 LYS 93 + HE3 LYS 93 OK 66 76 - 87 - 3.0=60, 3072/3.8=6...(37) HD2 LYS 93 + HE3 LYS 48 OK 55 98 - 56 - 3075=5, 3075/1.8=4...(19) HD2 LYS 93 + HE2 LYS 85 OK 55 96 - 57 - 3075=5, 3076/1.8=4...(15) HD2 LYS 93 + HE2 LYS 48 OK 54 92 - 59 - 3075=5, 1.8/3086=4...(20) HD2 LYS 93 + HE3 LYS 85 OK 53 95 - 56 - 3076=5, 3075/1.8=4...(13) HD3 LYS 48 + HE2 LYS 93 OK 46 98 - 47 - 3084/3.0=3, 3074/3.0=3...(15) HD2 LYS 48 - HE2 LYS 93 OK 42 90 - 47 - 1202=4, 3074/3.0=3...(14) HD3 LYS 48 - HE3 LYS 93 OK 38 81 - 48 - 3084/3.0=3, 3074/3.0=3...(21) HD2 LYS 48 - HE3 LYS 93 OK 34 71 - 48 - 1203=3, 3074/3.0=3...(19) HD3 LYS 48 - HE2 LYS 85 OK 32 99 - 32 - 1202=2, 3.0/1191=2...(6) HD3 LYS 48 - HE3 LYS 85 OK 31 98 - 32 - 1203=2, 3.0/1191=2...(6) HD2 LYS 48 - HE2 LYS 85 OK 30 93 - 33 - 1202=2, 3.0/1191=2...(5) HD2 LYS 48 - HE3 LYS 85 OK 30 90 - 33 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 14 90 - 15 - 3130/3.0=3, ~3137=1, 3084/3.0=1 HB2 LEU 95 - HE3 LYS 93 OK 11 71 - 15 - 3130/3.0=3, ~3137=1, 3084/3.0=1 HG3 ARG 141 - HE3 LYS 48 OK 10 85 - 12 - 1190/3.6=1, 1179/3.6=1 HG3 ARG 141 - HE2 LYS 48 poor 9 78 - 12 - 1190/3.6=1, 1179/3.6=1 HG2 ARG 89 - HE2 LYS 93 lone 8 90 - 9 - 3074/3.0=1 HG3 ARG 141 - HE2 LYS 93 lone 8 81 - 10 - HG2 ARG 89 - HE3 LYS 93 lone 7 71 - 9 - 3074/3.0=1 HG3 ARG 141 - HE3 LYS 93 lone 6 62 - 10 - HB2 ARG 145 - HE2 LYS 85 lone 5 98 - 5 - HB2 ARG 145 - HE3 LYS 85 lone 5 96 - 5 - HG LEU 97 - HE3 LYS 48 lone 4 81 - 5 - HG LEU 97 - HE2 LYS 48 lone 4 74 - 5 - HG LEU 97 - HE2 LYS 93 lone 4 77 - 5 - HB2 LEU 95 - HE2 LYS 85 lone 3 93 - 4 - HB2 LEU 95 - HE3 LYS 48 lone 3 94 - 3 - HB2 LEU 95 - HE3 LYS 85 lone 3 90 - 3 - HB2 LEU 95 - HE2 LYS 48 lone 3 87 - 3 - HB2 MET 68 - HE3 LYS 48 lone 3 81 - 3 - HG LEU 97 - HE3 LYS 93 lone 3 59 - 4 - HG2 ARG 89 - HE3 LYS 48 lone 3 94 - 3 - HB2 MET 68 - HE2 LYS 48 lone 2 74 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 2 87 - 3 - HB VAL 71 - HE2 LYS 93 lone 2 90 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 83 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 2 81 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 2 99 - 2 - HB2 MET 68 - HE2 LYS 93 lone 2 77 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 1 93 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 1 81 - 2 - HB VAL 71 - HE3 LYS 93 lone 1 71 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 1 85 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 1 78 - 2 - HG3 ARG 141 - HE2 LYS 85 lone 1 83 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 96 - 1 - HG3 ARG 141 - HE3 LYS 85 lone 1 81 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 94 - 1 - HG2 ARG 124 - HE3 LYS 93 lone 1 62 - 2 - HB VAL 71 - HE2 LYS 48 lone 1 87 - 1 - HB2 ARG 145 - HE3 LYS 93 lone 1 78 - 1 - HB2 MET 68 - HE3 LYS 93 lone 1 59 - 2 - HG2 ARG 89 - HE2 LYS 85 lone 1 93 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 90 - 1 - HG LEU 97 - HE2 LYS 85 lone 1 80 - 1 - HG LEU 97 - HE3 LYS 85 lone 1 77 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 80 - 1 - HB2 MET 68 - HE3 LYS 85 lone 0 77 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 93 - 0 - HB VAL 71 - HE3 LYS 85 lone 0 90 - 0 - Peak 1235 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 99 99 - 100 HE2 LYS 93 + HE2 LYS 93 OK 98 98 - 100 HE2 LYS 48 + HE2 LYS 48 OK 96 96 - 100 HE3 LYS 85 + HE3 LYS 85 OK 90 90 - 100 HE3 LYS 93 + HE3 LYS 93 OK 59 59 - 100 Reference assignment not found: HE2 LYS 48 - HE3 LYS 48 Peak 1236 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 48 + HE3 LYS 48 OK 100 100 - 100 HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE2 LYS 93 + HE2 LYS 93 OK 97 97 - 100 HE3 LYS 85 + HE3 LYS 85 OK 97 97 - 100 HE2 LYS 48 + HE2 LYS 48 OK 93 93 - 100 HE3 LYS 93 + HE3 LYS 93 OK 71 71 - 100 Peak 1238 from cnoeabs.peaks (7.39, 4.27, 55.41 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 49 + HA ARG 49 OK 100 100 - 100 - 2.9=100 H LYS 114 + HA ARG 49 OK 45 100 - 46 - 6463=7, 6472/3.6=7...(14) H ASP 41 - HA ARG 49 OK 10 92 - 11 - 1247/3.0=2, 1256/3.0=2...(5) Peak 1239 from cnoeabs.peaks (4.27, 4.27, 55.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 49 + HA ARG 49 OK 100 100 - 100 Peak 1240 from cnoeabs.peaks (1.74, 4.27, 55.41 ppm; 3.22 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HA ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 140 - HA ARG 49 OK 35 100 - 35 - 4742=7, 1.8/4733=4...(13) HB3 ARG 144 - HA ARG 49 OK 29 81 - 36 - 4.0/8200=5, 3.0/1243=3...(19) HB2 GLU 81 - HA ARG 49 OK 21 100 - 21 - 1258/3.0=3, 1276/3.9=2...(9) HD2 LYS 36 - HA ARG 49 OK 20 89 - 22 - 2.9/1242=3, 1258/3.0=3...(8) HB ILE 83 - HA ARG 49 OK 19 77 - 25 - ~11136=4, 2.1/10036=3...(11) HB3 GLU 81 - HA ARG 49 OK 12 68 - 18 - 1258/3.0=2, ~1258=2...(6) Peak 1241 from cnoeabs.peaks (1.34, 4.27, 55.41 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 49 + HA ARG 49 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 - HA ARG 49 OK 38 100 - 38 - 1250/3.0=7, 1268/3.9=4...(14) QB ALA 60 - HA ARG 49 OK 20 98 - 21 - 1250/3.0=3, 6475/3.6=3...(9) Peak 1242 from cnoeabs.peaks (1.39, 4.27, 55.41 ppm; 3.40 A): 2 out of 7 assignments used, quality = 0.93: * HG2 ARG 49 + HA ARG 49 OK 91 100 - 91 - 3.9=66, 1268/3.0=18...(19) HG2 LYS 86 + HA ARG 49 OK 24 99 - 25 - 1260/3.0=5, 1251/3.0=4...(10) HB3 LEU 39 - HA ARG 49 OK 19 85 - 22 - 1251/3.0=3, 1260/3.0=3...(11) HG LEU 132 - HA ARG 49 OK 17 89 - 19 - 1260/3.0=3, 1251/3.0=3...(10) HB2 ARG 109 - HA ARG 49 OK 15 96 - 15 - 11119/6.4=2, 1260/3.0=2...(9) HB2 LEU 69 - HA ARG 49 OK 14 100 - 13 - 1260/3.0=2, 6476/3.6=2...(7) HB VAL 82 - HA ARG 49 poor 7 62 - 11 - ~11010=2, ~11567=2...(4) Peak 1243 from cnoeabs.peaks (1.61, 4.27, 55.41 ppm; 3.85 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HA ARG 49 OK 99 100 - 99 - 3.9=96, 1.8/1242=21...(20) HG3 ARG 144 + HA ARG 49 OK 50 100 - 50 - 4.9/8200=6, 1252/3.0=5...(27) HG2 ARG 144 - HA ARG 49 OK 37 77 - 48 - 4.9/8200=6, 3.0/1240=4...(24) HG3 LYS 48 - HA ARG 49 OK 32 72 - 45 - 1184/4.8=6, 1193/2.9=6...(14) HB2 LEU 97 - HA ARG 49 OK 31 89 - 34 - 3195/3.6=7, 4.0/1246=6...(11) HG LEU 108 - HA ARG 49 OK 20 94 - 21 - 1277/3.0=3, 1252/3.0=3...(8) HB2 LEU 87 - HA ARG 49 OK 15 100 - 15 - 1261/3.0=2, 1252/3.0=2...(8) HB3 LEU 64 - HA ARG 49 OK 14 100 - 14 - 6477/3.6=2, 1252/3.0=2...(7) HG2 ARG 141 - HA ARG 49 OK 11 92 - 12 - 1142/4.8=2, 4.9/7833=1 HD2 LYS 24 - HA ARG 49 poor 8 68 - 12 - 11345/2.9=4, ~11344=4 HG3 LYS 34 - HA ARG 49 lone 3 68 - 4 - Peak 1244 from cnoeabs.peaks (2.07, 4.27, 55.41 ppm; 5.27 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 49 + HA ARG 49 OK 100 100 - 100 - 5.2=100 HB2 PRO 129 + HA ARG 49 OK 60 96 - 62 - 3.0/8198=14, 3.0/8198=11...(16) HG3 PRO 98 - HA ARG 49 OK 38 72 - 52 - ~8196=15, ~8196=14...(10) HA ARG 35 - HA ARG 49 OK 30 72 - 41 - 3.9/10466=11, 3.0/1242=6...(10) HB3 LYS 61 - HA ARG 49 OK 22 100 - 22 - ~10527=5, 1262/3.0=4...(7) HB2 LEU 26 - HA ARG 49 OK 17 100 - 17 - 1262/3.0=3, 1253/3.0=3...(6) HG2 GLU 122 - HA ARG 49 OK 16 94 - 17 - 1298/5.2=4, 1280/3.9=3...(7) HB3 GLN 62 - HA ARG 49 lone 9 100 - 9 - 1262/3.0=1, 1253/3.0=1 Peak 1245 from cnoeabs.peaks (3.08, 4.27, 55.41 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HA ARG 49 OK 100 100 - 100 - 5.2=100 HA2 GLY 78 + HA ARG 49 OK 77 100 - 77 - 1263/3.0=12, 1254/3.0=12...(17) HE2 LYS 86 - HA ARG 49 OK 35 68 - 53 - 1263/3.0=7, 1254/3.0=7...(13) HE3 LYS 86 - HA ARG 49 OK 33 62 - 52 - 3.9/1242=7, 1263/3.0=6...(13) HA TYR 119 - HA ARG 49 OK 28 99 - 29 - 11686/6.4=5, 1290/5.2=4...(8) HB3 TRP 88 - HA ARG 49 OK 24 81 - 29 - 1290/5.2=5, 2843/6.4=5...(8) HB3 ASP 30 - HA ARG 49 poor 9 81 - 11 - 1263/3.0=1, 1254/3.0=1...(5) Peak 1246 from cnoeabs.peaks (7.66, 4.27, 55.41 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 50 + HA ARG 49 OK 100 100 - 100 - 3.6=100 H LEU 97 - HA ARG 49 OK 40 100 - 41 - 1264/3.0=10, 11422/3.9=9...(10) HD21 ASN 130 - HA ARG 49 lone 2 72 - 2 - Peak 1247 from cnoeabs.peaks (7.39, 1.74, 30.11 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.7=100 H LYS 114 + HB2 ARG 49 OK 49 100 - 49 - 1256/1.8=11, 1238/3.0=9...(9) H ASP 41 - HB2 ARG 49 OK 13 92 - 14 - 1256/1.8=3, 1265/3.0=2...(5) Peak 1248 from cnoeabs.peaks (4.27, 1.74, 30.11 ppm; 3.48 A): 3 out of 9 assignments used, quality = 1.00: * HA ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.0=100 HA2 GLY 50 + HB2 ARG 49 OK 49 85 - 57 - 3.6/8220=11, 2.9/6474=10...(17) HA3 GLY 78 + HB2 ARG 49 OK 46 94 - 49 - 1.8/1254=7, 1257/1.8=6...(20) HA ARG 140 - HB2 ARG 49 OK 31 99 - 31 - 4708=6, 1257/1.8=3...(12) HA SER 138 - HB2 ARG 49 OK 14 92 - 15 - 1257/1.8=2, 2.9/9698=2...(5) HA LEU 95 - HB2 ARG 49 OK 14 100 - 14 - 1257/1.8=2, 6473/4.7=1...(4) HA PRO 118 - HB2 ARG 49 poor 9 92 - 10 - 1293/3.7=1, 1257/1.8=1 HA ALA 135 - HB2 ARG 49 poor 9 81 - 11 - 1257/1.8=2, 1293/3.7=1...(5) HB THR 99 - HB2 ARG 49 lone 7 94 - 7 - 1257/1.8=1 Peak 1249 from cnoeabs.peaks (1.74, 1.74, 30.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 49 + HB2 ARG 49 OK 100 100 - 100 Peak 1250 from cnoeabs.peaks (1.34, 1.74, 30.11 ppm; 3.06 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 1.8=100 HD3 LYS 76 + HB2 ARG 49 OK 45 100 - 46 - ~2302=6, 1241/3.0=6...(18) QB ALA 60 - HB2 ARG 49 OK 21 98 - 22 - 1241/3.0=3, 1277/3.0=3...(9) Peak 1251 from cnoeabs.peaks (1.39, 1.74, 30.11 ppm; 3.12 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 - HB2 ARG 49 OK 33 99 - 33 - 1260/1.8=5, 1278/3.0=3...(19) HG LEU 132 - HB2 ARG 49 OK 23 89 - 25 - 1260/1.8=4, 1242/3.0=2...(12) HB3 LEU 39 - HB2 ARG 49 OK 21 85 - 24 - 1260/1.8=3, 1242/3.0=2...(12) HB2 ARG 109 - HB2 ARG 49 OK 17 96 - 18 - 1260/1.8=3, 11119/5.1=2...(6) HB2 LEU 69 - HB2 ARG 49 OK 16 100 - 16 - 1260/1.8=3, 1242/3.0=2...(7) HB VAL 82 - HB2 ARG 49 poor 9 62 - 15 - 2.1/11010=3, 1260/1.8=2 Peak 1252 from cnoeabs.peaks (1.61, 1.74, 30.11 ppm; 3.57 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HB2 ARG 49 OK 54 100 - 54 - 1261/1.8=5, 4913=5...(33) HG2 ARG 144 - HB2 ARG 49 OK 39 77 - 51 - 1.8/4913=5, 1261/1.8=4...(31) HG LEU 108 - HB2 ARG 49 OK 35 94 - 37 - 1277/1.8=4, 1276=3...(21) HB2 LEU 97 - HB2 ARG 49 OK 34 89 - 39 - ~11586=7, ~11585=6...(15) HB3 LEU 64 - HB2 ARG 49 OK 20 100 - 20 - 1261/1.8=2, 8368/3.7=2...(8) HB2 LEU 87 - HB2 ARG 49 OK 20 100 - 20 - 3.2/10061=2, 1261/1.8=2...(8) HG3 LYS 48 - HB2 ARG 49 OK 16 72 - 23 - 4.9/6464=6, 1243/3.0=3...(9) HG2 ARG 141 - HB2 ARG 49 poor 9 92 - 10 - 4.9/7837=1 HD2 LYS 24 - HB2 ARG 49 lone 5 68 - 8 - 11345/3.7=3 HG3 LYS 34 - HB2 ARG 49 lone 4 68 - 6 - Peak 1253 from cnoeabs.peaks (2.07, 1.74, 30.11 ppm; 3.74 A): 1 out of 8 assignments used, quality = 1.00: * HD2 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 PRO 129 - HB2 ARG 49 OK 37 96 - 38 - 3.0/9824=7, 1262/1.8=5...(12) HG3 PRO 98 - HB2 ARG 49 OK 34 72 - 47 - ~8195=11, ~8196=9...(12) HA ARG 35 - HB2 ARG 49 OK 24 72 - 33 - 3.9/10467=6, 3.0/1251=4...(13) HB3 LYS 61 - HB2 ARG 49 OK 14 100 - 14 - ~10527=3, 1262/1.8=3...(6) HB2 LEU 26 - HB2 ARG 49 OK 12 100 - 12 - 1262/1.8=2, 1298/3.7=2...(5) HG2 GLU 122 - HB2 ARG 49 poor 10 94 - 10 - 1298/3.7=3, 1280/3.0=2...(4) HB3 GLN 62 - HB2 ARG 49 lone 5 100 - 5 - Peak 1254 from cnoeabs.peaks (3.08, 1.74, 30.11 ppm; 3.81 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.7=100 HA2 GLY 78 + HB2 ARG 49 OK 51 100 - 51 - 1263/1.8=7, 1.8/1248=7...(16) HE2 LYS 86 - HB2 ARG 49 OK 28 68 - 42 - 1263/1.8=4, 3.9/1251=4...(21) HE3 LYS 86 - HB2 ARG 49 OK 26 62 - 41 - 3.9/1251=4, 1263/1.8=4...(21) HA TYR 119 - HB2 ARG 49 OK 13 99 - 13 - 1290/3.7=2, 11686/5.1=2...(5) HB3 TRP 88 - HB2 ARG 49 OK 13 81 - 16 - 1290/3.7=3, 1272/3.0=2...(7) HB3 ASP 30 - HB2 ARG 49 lone 4 81 - 5 - Peak 1255 from cnoeabs.peaks (7.66, 1.74, 30.11 ppm; 5.15 A): 2 out of 3 assignments used, quality = 1.00: * H GLY 50 + HB2 ARG 49 OK 100 100 - 100 - 4.7=100 H LEU 97 + HB2 ARG 49 OK 57 100 - 57 - 1264/1.8=18...(11) HD21 ASN 130 - HB2 ARG 49 lone 3 72 - 4 - Peak 1256 from cnoeabs.peaks (7.39, 1.34, 30.11 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.7=100 H LYS 114 + HB3 ARG 49 OK 52 100 - 53 - 1247/1.8=12, 6465=10...(8) H ASP 41 - HB3 ARG 49 OK 14 92 - 15 - 1247/1.8=3, 1265/3.0=3...(5) Peak 1257 from cnoeabs.peaks (4.27, 1.34, 30.11 ppm; 3.75 A): 3 out of 9 assignments used, quality = 1.00: * HA ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 + HB3 ARG 49 OK 55 94 - 58 - 1257=7, 1.8/1263=7...(21) HA2 GLY 50 + HB3 ARG 49 OK 53 85 - 62 - 2.9/6475=16, ~6474=8...(18) HA ARG 140 - HB3 ARG 49 OK 30 99 - 30 - 4708/1.8=6, 3.8/1258=3...(14) HA LEU 95 - HB3 ARG 49 OK 18 100 - 18 - 1257=3, 1248/1.8=2...(8) HA SER 138 - HB3 ARG 49 OK 17 92 - 18 - 1257=3, 1248/1.8=3...(7) HA ALA 135 - HB3 ARG 49 OK 15 81 - 18 - 3.6/10464=4, 1257=3...(7) HB THR 99 - HB3 ARG 49 OK 12 94 - 12 - 1257=2, 1248/1.8=1 HA PRO 118 - HB3 ARG 49 OK 11 92 - 12 - 1293/3.7=2, 1248/1.8=1...(4) Peak 1258 from cnoeabs.peaks (1.74, 1.34, 30.11 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 1.8=100 HB3 ARG 144 - HB3 ARG 49 OK 39 81 - 48 - 1258=6, 1276/3.0=4...(28) HB2 GLU 81 - HB3 ARG 49 OK 37 100 - 37 - 1258=5, 4.0/8777=5...(13) HG3 ARG 140 - HB3 ARG 49 OK 35 100 - 35 - 1258=5, 4742/3.0=4...(17) HD2 LYS 36 - HB3 ARG 49 OK 31 89 - 35 - 1258=4, 2.9/1260=3...(17) HB ILE 83 - HB3 ARG 49 OK 30 77 - 39 - 3.0/11136=8, 2.1/10660=4...(21) HB3 GLU 81 - HB3 ARG 49 OK 23 68 - 34 - 4.0/8777=5, 1.8/1258=4...(17) Peak 1259 from cnoeabs.peaks (1.34, 1.34, 30.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 49 + HB3 ARG 49 OK 100 100 - 100 Peak 1260 from cnoeabs.peaks (1.39, 1.34, 30.11 ppm; 3.01 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 - HB3 ARG 49 OK 33 99 - 34 - 1251/1.8=5, 1260=4...(19) HG LEU 132 - HB3 ARG 49 OK 23 89 - 25 - 1268=4, 1251/1.8=3...(10) HB3 LEU 39 - HB3 ARG 49 OK 19 85 - 22 - 1251/1.8=3, 1.8/10660=3...(9) HB2 LEU 69 - HB3 ARG 49 OK 17 100 - 17 - 1251/1.8=2, 1260=2...(7) HB2 ARG 109 - HB3 ARG 49 OK 16 96 - 17 - 1260=3, 1251/1.8=3...(6) HB VAL 82 - HB3 ARG 49 poor 9 62 - 15 - 1260=2, ~11010=2...(5) Peak 1261 from cnoeabs.peaks (1.61, 1.34, 30.11 ppm; 3.82 A): 4 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HB3 ARG 49 OK 63 100 - 63 - 1252/1.8=7, 1261=6...(36) HB2 LEU 97 + HB3 ARG 49 OK 51 89 - 57 - 3.1/11586=13...(19) HG2 ARG 144 + HB3 ARG 49 OK 48 77 - 63 - 1.8/1261=5, 1252/1.8=5...(34) HG LEU 108 - HB3 ARG 49 OK 39 94 - 42 - 1277=5, 1252/1.8=4...(22) HB2 LEU 87 - HB3 ARG 49 OK 25 100 - 25 - 1261=3, 1252/1.8=2...(11) HB3 LEU 64 - HB3 ARG 49 OK 25 100 - 24 - 1252/1.8=2, 8368/3.7=2...(9) HG3 LYS 48 - HB3 ARG 49 OK 20 72 - 28 - 4.9/6465=9, 1243/3.0=3...(9) HG2 ARG 141 - HB3 ARG 49 OK 12 92 - 12 - 1261=1, 1252/1.8=1, 3218/11586=1 HD2 LYS 24 - HB3 ARG 49 poor 7 68 - 10 - 11345/3.7=4 HG3 LYS 34 - HB3 ARG 49 lone 6 68 - 9 - 9134/8196=1 Peak 1262 from cnoeabs.peaks (2.07, 1.34, 30.11 ppm; 4.84 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 PRO 129 + HB3 ARG 49 OK 56 96 - 58 - 1262=9, ~9824=9...(13) HG3 PRO 98 + HB3 ARG 49 OK 47 72 - 65 - 2.3/8196=21, ~8195=19...(12) HA ARG 35 - HB3 ARG 49 OK 39 72 - 54 - 3.9/10468=14, 4.9/8196=7...(15) HB3 LYS 61 - HB3 ARG 49 OK 31 100 - 31 - 3.0/10527=8, 1262=5...(9) HB2 LEU 26 - HB3 ARG 49 OK 22 100 - 22 - 1262=4, 1253/1.8=3...(7) HG2 GLU 122 - HB3 ARG 49 OK 18 94 - 19 - 1298/3.7=4, 1280/3.0=3...(7) HB3 GLN 62 - HB3 ARG 49 lone 10 100 - 10 - 1253/1.8=1 Peak 1263 from cnoeabs.peaks (3.08, 1.34, 30.11 ppm; 4.67 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.7=100 HA2 GLY 78 + HB3 ARG 49 OK 69 100 - 69 - 1263=12, 1254/1.8=10...(17) HE2 LYS 86 - HB3 ARG 49 OK 41 68 - 61 - 1263=7, 3.9/1260=6...(25) HE3 LYS 86 - HB3 ARG 49 OK 38 62 - 61 - 1263=6, 1.8/1263=6...(25) HA TYR 119 - HB3 ARG 49 OK 21 99 - 22 - 1290/3.7=3, 11686/5.1=3...(10) HB3 TRP 88 - HB3 ARG 49 OK 20 81 - 25 - 1263=4, 1290/3.7=4...(9) HB3 ASP 30 - HB3 ARG 49 lone 7 81 - 9 - 1263=1, 1254/1.8=1, ~10702=1 Peak 1264 from cnoeabs.peaks (7.66, 1.34, 30.11 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.98: * H GLY 50 + HB3 ARG 49 OK 94 100 - 94 - 4.7=76, 6472/3.7=22...(21) H LEU 97 + HB3 ARG 49 OK 58 100 - 59 - 11422/3.0=12...(12) HD21 ASN 130 - HB3 ARG 49 lone 3 72 - 3 - Peak 1265 from cnoeabs.peaks (7.39, 1.39, 26.78 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.94: * H ARG 49 + HG2 ARG 49 OK 89 100 - 89 - 5.0=48, 1274/1.8=20...(17) H LYS 114 + HG2 ARG 49 OK 47 100 - 47 - 1274/1.8=11, 1247/3.0=9...(8) H ASP 41 - HG2 ARG 49 OK 14 92 - 15 - 1274/1.8=3, 1256/3.0=3...(6) H ARG 49 - HG LEU 132 OK 11 57 - 19 - 3.7/1260=3, 2.9/1242=3...(8) H LYS 114 - HG LEU 132 lone 5 56 - 10 - ~10293=2, 3729/9334=2...(4) H ASP 41 - HG LEU 132 lone 2 47 - 5 - ~10509=2, 4.1/6279=1 Peak 1266 from cnoeabs.peaks (4.27, 1.39, 26.78 ppm; 4.02 A): 2 out of 18 assignments used, quality = 1.00: * HA ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.9=100 HA3 GLY 78 + HG2 ARG 49 OK 56 94 - 60 - 2352/3.0=8, 1.8/1272=8...(18) HA2 GLY 50 - HG2 ARG 49 OK 43 85 - 51 - 2.9/6476=13, ~6475=9...(11) HA ALA 135 - HG LEU 132 OK 28 39 - 72 - ~9628=16, ~9628=16...(13) HA ARG 140 - HG2 ARG 49 OK 28 99 - 28 - 4708/3.0=5, 1275/1.8=3...(15) HA ARG 49 - HG LEU 132 OK 16 57 - 28 - 1242=5, 3.0/1260=4...(12) HA LEU 95 - HG2 ARG 49 OK 15 100 - 15 - 1257/3.0=2, 1248/3.0=2...(7) HA SER 138 - HG2 ARG 49 OK 14 92 - 15 - 9718/1.8=3, 1248/3.0=2...(6) HA PRO 118 - HG2 ARG 49 OK 14 92 - 15 - 1293/3.0=2, ~11511=2...(8) HB THR 99 - HG LEU 132 OK 13 49 - 27 - 3298/3.0=3, ~4504=3...(12) HA ALA 135 - HG2 ARG 49 OK 13 81 - 15 - ~10325=5, 1293/3.0=2...(6) HA PRO 118 - HG LEU 132 OK 11 47 - 23 - 3941/3.0=2, ~4513=2...(11) HA3 GLY 78 - HG LEU 132 poor 10 49 - 19 - ~8706=10, ~8706=4...(5) HB THR 99 - HG2 ARG 49 lone 8 94 - 8 - 1257/3.0=2, 1275/1.8=1 HA LEU 95 - HG LEU 132 lone 5 56 - 9 - 4.0/9073=1, 9061/10013=1 HA ARG 140 - HG LEU 132 lone 4 54 - 8 - HA2 GLY 50 - HG LEU 132 lone 3 42 - 7 - 2.9/6476=3 HA SER 138 - HG LEU 132 lone 2 47 - 5 - ~10293=1 Peak 1267 from cnoeabs.peaks (1.74, 1.39, 26.78 ppm; 3.60 A): 1 out of 14 assignments used, quality = 1.00: * HB2 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HD2 LYS 36 - HG2 ARG 49 OK 42 89 - 47 - 5.3/8195=10, 1.8/720=5...(22) HB3 ARG 144 - HG2 ARG 49 OK 41 81 - 50 - 1276/1.8=5, 1258/3.0=4...(28) HB2 GLU 81 - HG2 ARG 49 OK 40 100 - 40 - 1276/1.8=5, 1258/3.0=4...(18) HB ILE 83 - HG2 ARG 49 OK 35 77 - 45 - 2.1/11043=6, ~11136=5...(19) HG3 ARG 140 - HG2 ARG 49 OK 30 100 - 29 - 1276/1.8=4, 1258/3.0=4...(12) HB3 GLU 81 - HG2 ARG 49 OK 26 68 - 38 - ~10983=3, ~1276=3...(17) HB ILE 83 - HG LEU 132 OK 22 37 - 60 - ~10018=13, ~9999=11...(25) HB2 ARG 49 - HG LEU 132 OK 19 57 - 34 - 1251=5, 1.8/1260=5...(18) HB2 GLU 81 - HG LEU 132 poor 7 56 - 13 - ~8790=7, ~8782=3, 4.6/6894=1 HG3 ARG 140 - HG LEU 132 lone 5 56 - 9 - ~10422=1 HB3 GLU 81 - HG LEU 132 poor 4 31 - 12 - ~8790=7, ~8782=3, 4.6/6894=1 HD2 LYS 36 - HG LEU 132 lone 2 45 - 4 - 5.3/8195=2 HB3 ARG 144 - HG LEU 132 lone 1 39 - 2 - Peak 1268 from cnoeabs.peaks (1.34, 1.39, 26.78 ppm; 2.70 A): 4 out of 6 assignments used, quality = 0.92: * HB3 ARG 49 + HG2 ARG 49 OK 85 100 - 85 - 3.0=74, 3.0/1242=8...(14) HD3 LYS 76 + HG2 ARG 49 OK 30 100 - 30 - 1277/1.8=5, 1250/3.0=5...(12) QB ALA 60 + HG2 ARG 49 OK 15 98 - 16 - 1277/1.8=3, 1250/3.0=2...(6) HB3 ARG 49 + HG LEU 132 OK 12 57 - 21 - 1260=4, 1.8/1251=3...(8) QB ALA 60 - HG LEU 132 poor 6 53 - 12 - 8320/2.1=4, 8326/3.0=3...(4) HD3 LYS 76 - HG LEU 132 poor 6 56 - 11 - ~10092=5, ~9599=2...(4) Peak 1269 from cnoeabs.peaks (1.39, 1.39, 26.78 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 49 + HG2 ARG 49 OK 100 100 - 100 HG LEU 132 - HG LEU 132 OK 45 45 - 100 Peak 1270 from cnoeabs.peaks (1.61, 1.39, 26.78 ppm; 3.29 A): 2 out of 22 assignments used, quality = 1.00: * HG3 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 1.8=100 HG3 ARG 144 + HG2 ARG 49 OK 47 100 - 47 - 4913/3.0=4, 1261/3.0=3...(28) HG2 ARG 144 - HG2 ARG 49 OK 36 77 - 47 - 1252/3.0=3, 1261/3.0=3...(27) HG LEU 108 - HG2 ARG 49 OK 35 94 - 37 - 1278=4, ~3498=4, ~3505=3...(22) HB2 LEU 97 - HG2 ARG 49 OK 33 89 - 38 - 4.8/8195=9, 4.0/11422=5...(16) HB2 LEU 87 - HG2 ARG 49 OK 23 100 - 23 - 4.0/6994=3, 4.6/11674=3...(9) HB3 LEU 64 - HG2 ARG 49 OK 20 100 - 20 - 8368/3.0=2, 1297/3.0=2...(6) HB2 LEU 87 - HG LEU 132 OK 18 56 - 33 - ~8878=13, ~8882=11...(7) HG3 ARG 49 - HG LEU 132 OK 18 57 - 31 - 1278=4, 3.0/1260=3...(15) HG3 LYS 48 - HG2 ARG 49 OK 14 72 - 20 - 4.9/1265=6, 1243/3.9=2...(7) HB2 LEU 97 - HG LEU 132 OK 13 45 - 30 - ~4512=2, ~4512=2...(13) HG LEU 108 - HG LEU 132 poor 8 49 - 17 - ~10174=9, ~9595=2...(5) HG2 ARG 141 - HG2 ARG 49 lone 7 92 - 7 - HG3 LYS 34 - HG2 ARG 49 lone 5 68 - 8 - 9134/8195=1 HD2 LYS 24 - HG2 ARG 49 lone 5 68 - 7 - 11345/5.0=2 HB3 LEU 64 - HG LEU 132 lone 2 56 - 4 - 3.1/10625=1 HG3 LYS 34 - HG LEU 132 lone 1 31 - 4 - 5.0/10797=1 HG3 ARG 144 - HG LEU 132 lone 1 56 - 2 - HG3 LYS 48 - HG LEU 132 lone 1 34 - 2 - HG2 ARG 141 - HG LEU 132 lone 1 47 - 1 - HD2 LYS 24 - HG LEU 132 lone 1 31 - 2 - HG2 ARG 144 - HG LEU 132 lone 0 37 - 1 - Peak 1271 from cnoeabs.peaks (2.07, 1.39, 26.78 ppm; 4.56 A): 3 out of 16 assignments used, quality = 1.00: * HD2 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HG2 ARG 49 OK 61 96 - 63 - 1298/3.0=8, 1253/3.0=7...(25) HG3 PRO 98 + HG2 ARG 49 OK 58 72 - 80 - 2.3/8195=30, ~8193=13...(21) HB2 PRO 129 - HG LEU 132 OK 45 51 - 88 - ~10270=24, ~9591=24...(18) HA ARG 35 - HG2 ARG 49 OK 43 72 - 60 - 4.9/8195=20, 3.0/604=5...(22) HB3 LYS 61 - HG LEU 132 OK 39 55 - 72 - ~8331=14, 8332/2.1=12...(24) HG2 GLU 122 - HG2 ARG 49 OK 37 94 - 39 - ~4064=6, ~4072=6...(16) HB2 LEU 26 - HG2 ARG 49 OK 27 100 - 27 - 1298/3.0=3, 1280/1.8=3...(11) HG2 GLU 122 - HG LEU 132 OK 27 49 - 56 - ~11037=18, ~9457=11...(16) HB3 LYS 61 - HG2 ARG 49 OK 26 100 - 26 - ~10527=4, 1262/3.0=3...(10) HB2 LEU 26 - HG LEU 132 OK 25 56 - 45 - ~10547=8, ~10577=6...(17) HB3 GLN 62 - HG LEU 132 OK 23 56 - 42 - ~8347=9, 8346/2.1=8...(14) HD2 ARG 49 - HG LEU 132 OK 23 57 - 41 - 1287=5, 1.8/1296=5...(16) HB3 GLN 62 - HG2 ARG 49 OK 11 100 - 10 - HG3 PRO 98 - HG LEU 132 poor 4 34 - 10 - ~9136=1, ~9136=1 HA ARG 35 - HG LEU 132 lone 2 34 - 7 - 4.9/8195=3, ~10423=1 Peak 1272 from cnoeabs.peaks (3.08, 1.39, 26.78 ppm; 4.54 A): 2 out of 14 assignments used, quality = 1.00: * HD3 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HA2 GLY 78 + HG2 ARG 49 OK 73 100 - 73 - 1281/1.8=9, 1290/3.0=9...(21) HE2 LYS 86 - HG2 ARG 49 OK 44 68 - 65 - 3.0/2740=9, 3.0/2729=8...(30) HE3 LYS 86 - HG2 ARG 49 OK 40 62 - 65 - 3.0/2740=9, 3.0/2729=8...(28) HB3 TRP 88 - HG2 ARG 49 OK 29 81 - 36 - 4.0/11674=6, ~2832=5...(12) HA TYR 119 - HG2 ARG 49 OK 26 99 - 26 - 11686/3.9=4, 1290/3.0=4...(10) HA TYR 119 - HG LEU 132 OK 25 54 - 46 - 10704/2.1=15...(6) HD3 ARG 49 - HG LEU 132 OK 25 57 - 44 - 1296=5, 11511/3.0=5...(17) HA2 GLY 78 - HG LEU 132 OK 13 56 - 24 - 8706/2.1=15, 11610/3.7=3...(4) HB3 ASP 30 - HG2 ARG 49 lone 8 81 - 9 - 1290/3.0=1 HE2 LYS 86 - HG LEU 132 poor 8 31 - 25 - 3.0/2740=3, 3.0/2729=3...(10) HE3 LYS 86 - HG LEU 132 poor 7 28 - 25 - 3.0/2740=3, 3.0/2729=3...(10) HB3 TRP 88 - HG LEU 132 lone 3 39 - 8 - 4.0/11674=4, 5.3/10066=1 HB3 ASP 30 - HG LEU 132 lone 1 39 - 2 - Peak 1273 from cnoeabs.peaks (7.66, 1.39, 26.78 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.95: * H GLY 50 + HG2 ARG 49 OK 85 100 - 85 - 6475/3.0=27, 6476=23...(18) H LEU 97 + HG2 ARG 49 OK 69 100 - 70 - 4.8/8195=23, 11422=22...(10) H GLY 50 - HG LEU 132 OK 13 57 - 23 - 6476=5, 3.6/1242=4...(5) H LEU 97 - HG LEU 132 OK 12 55 - 22 - 11422=4, 7157/3.0=3...(6) HD21 ASN 130 - HG2 ARG 49 lone 3 72 - 5 - ~10665=1 HD21 ASN 130 - HG LEU 132 lone 1 34 - 2 - Peak 1274 from cnoeabs.peaks (7.39, 1.61, 26.78 ppm; 3.77 A): 4 out of 6 assignments used, quality = 0.94: * H ARG 49 + HG3 ARG 49 OK 85 100 - 85 - 5.0=42, 1265/1.8=18...(17) H LYS 114 + HG3 ARG 49 OK 44 100 - 44 - 1265/1.8=10, 1247/3.0=9...(7) H ARG 49 + HG LEU 108 OK 15 68 - 23 - 6453/5.1=3, 3.7/1277=3...(10) H ASP 41 + HG3 ARG 49 OK 12 92 - 12 - 1265/1.8=3, 1256/3.0=2...(5) H LYS 114 - HG LEU 108 lone 7 67 - 10 - ~9257=2, ~9257=2 H ASP 41 - HG LEU 108 lone 1 57 - 1 - Peak 1275 from cnoeabs.peaks (4.27, 1.61, 26.78 ppm; 3.87 A): 3 out of 18 assignments used, quality = 1.00: * HA ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.9=98, 1242/1.8=21...(21) HA3 GLY 78 + HG3 ARG 49 OK 52 94 - 55 - 2352/3.0=7, 1.8/1281=7...(18) HA2 GLY 50 + HG3 ARG 49 OK 46 85 - 54 - 3.6/8221=8, ~6476=8...(13) HA ARG 140 - HG3 ARG 49 OK 27 99 - 27 - 4708/3.0=4, 1257/3.0=3...(12) HA ARG 49 - HG LEU 108 OK 15 68 - 21 - 3.0/1277=3, 3.0/1252=3...(9) HA SER 138 - HG3 ARG 49 OK 14 92 - 15 - 9718=3, 1248/3.0=2...(7) HA PRO 118 - HG3 ARG 49 OK 12 92 - 13 - 1293/3.0=2, ~11511=2...(8) HA LEU 95 - HG3 ARG 49 OK 11 100 - 11 - 1257/3.0=2, 1248/3.0=2...(4) HA ALA 135 - HG3 ARG 49 OK 11 81 - 14 - ~10325=4, 1293/3.0=2...(6) HB THR 99 - HG3 ARG 49 lone 8 94 - 8 - 1257/3.0=1, 1248/3.0=1 HA SER 138 - HG LEU 108 lone 3 57 - 5 - ~9257=1, ~9257=1, 9718=1 HA LEU 95 - HG LEU 108 lone 2 68 - 3 - ~9057=2 HA ARG 140 - HG LEU 108 lone 2 65 - 3 - HA3 GLY 78 - HG LEU 108 lone 2 59 - 3 - HA2 GLY 50 - HG LEU 108 lone 2 51 - 3 - 2.9/6477=1 HB THR 99 - HG LEU 108 lone 1 59 - 1 - HA ALA 135 - HG LEU 108 lone 1 48 - 2 - HA PRO 118 - HG LEU 108 lone 1 57 - 1 - Peak 1276 from cnoeabs.peaks (1.74, 1.61, 26.78 ppm; 2.50 A): 8 out of 14 assignments used, quality = 0.90: * HB2 ARG 49 + HG3 ARG 49 OK 71 100 - 71 - 3.0=59, ~1268=8...(10) HB3 ARG 144 + HG3 ARG 49 OK 20 81 - 24 - 4897=3, 1.8/4888=3...(8) HB2 GLU 81 + HG3 ARG 49 OK 17 100 - 17 - 1258/3.0=2, 1267/1.8=2...(5) HB ILE 83 + HG3 ARG 49 OK 14 77 - 19 - ~11043=2, ~11136=2...(7) HD2 LYS 36 + HG3 ARG 49 OK 14 89 - 16 - 1267/1.8=2, ~720=2...(5) HG3 ARG 140 + HG3 ARG 49 OK 13 100 - 13 - 1258/3.0=2, 4742/3.9=2 HB2 ARG 49 + HG LEU 108 OK 11 68 - 17 - 1252=2, 1.8/1277=2...(5) HB3 GLU 81 + HG3 ARG 49 OK 11 68 - 16 - ~10983=1, ~1267=1...(5) HB3 ARG 144 - HG LEU 108 lone 2 48 - 4 - HD2 LYS 36 - HG LEU 108 lone 1 54 - 1 - HB2 GLU 81 - HG LEU 108 lone 1 67 - 1 - HB ILE 83 - HG LEU 108 lone 1 45 - 2 - HG3 ARG 140 - HG LEU 108 lone 1 68 - 1 - HB3 GLU 81 - HG LEU 108 lone 0 38 - 1 - Peak 1277 from cnoeabs.peaks (1.34, 1.61, 26.78 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 - HG3 ARG 49 OK 43 100 - 44 - 1268/1.8=8, 1250/3.0=7...(13) QB ALA 60 - HG3 ARG 49 OK 25 98 - 26 - 1268/1.8=4, 1286/3.0=4...(10) HB3 ARG 49 - HG LEU 108 OK 21 68 - 31 - 1.8/1252=4, 1261=3...(15) HD3 LYS 76 - HG LEU 108 OK 14 67 - 20 - ~8660=7, ~11719=5...(4) QB ALA 60 - HG LEU 108 lone 2 63 - 3 - Peak 1278 from cnoeabs.peaks (1.39, 1.61, 26.78 ppm; 3.17 A): 2 out of 14 assignments used, quality = 1.00: * HG2 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 1.8=100 HG2 LYS 86 + HG3 ARG 49 OK 47 99 - 47 - ~2718=4, 1287/3.0=4...(19) HG LEU 132 - HG3 ARG 49 OK 25 89 - 29 - 1260/3.0=3, 1251/3.0=3...(13) HB3 LEU 39 - HG3 ARG 49 OK 24 85 - 28 - 1251/3.0=2, 1260/3.0=2...(16) HB2 LEU 69 - HG LEU 108 OK 24 66 - 36 - ~8477=10, ~8473=5...(16) HG2 ARG 49 - HG LEU 108 OK 23 68 - 34 - 1270=4, ~3498=3, ~3505=3...(20) HB2 ARG 109 - HG3 ARG 49 OK 20 96 - 20 - 11119/3.9=3, 1260/3.0=2...(9) HB2 LEU 69 - HG3 ARG 49 OK 18 100 - 18 - 1260/3.0=2, 1296/3.0=2...(6) HB VAL 82 - HG LEU 108 OK 17 35 - 48 - ~8810=16, ~8798=11...(9) HB VAL 82 - HG3 ARG 49 poor 9 62 - 15 - ~2493=2, ~11010=1...(9) HG LEU 132 - HG LEU 108 poor 9 54 - 16 - ~10174=9, ~9595=2...(4) HB2 ARG 109 - HG LEU 108 lone 6 62 - 9 - 4.0/7288=5, ~9271=3 HB3 LEU 39 - HG LEU 108 lone 3 51 - 5 - ~8112=2 HG2 LYS 86 - HG LEU 108 lone 1 65 - 2 - Peak 1279 from cnoeabs.peaks (1.61, 1.61, 26.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 49 + HG3 ARG 49 OK 100 100 - 100 HG LEU 108 + HG LEU 108 OK 59 59 - 100 Peak 1280 from cnoeabs.peaks (2.07, 1.61, 26.78 ppm; 4.41 A): 3 out of 16 assignments used, quality = 1.00: * HD2 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HG3 ARG 49 OK 59 96 - 62 - 3.0/9825=9, 1298/3.0=7...(24) HG3 PRO 98 + HG3 ARG 49 OK 54 72 - 74 - ~8195=20, 2.3/9802=14...(19) HB2 LEU 26 - HG LEU 108 OK 38 67 - 57 - 248/3.0=8, ~256=7...(21) HG2 GLU 122 - HG3 ARG 49 OK 33 94 - 36 - ~4064=6, ~4072=5...(15) HD2 ARG 49 - HG LEU 108 OK 32 68 - 47 - 1288=6, 1.8/1297=5...(23) HA ARG 35 - HG3 ARG 49 OK 30 72 - 41 - 1271/1.8=5, 1253/3.0=4...(17) HB2 LEU 26 - HG3 ARG 49 OK 25 100 - 24 - 1298/3.0=3, 1271/1.8=3...(11) HB3 LYS 61 - HG3 ARG 49 OK 24 100 - 24 - ~10527=3, 1262/3.0=3...(10) HB3 GLN 62 - HG3 ARG 49 lone 10 100 - 10 - HA ARG 35 - HG LEU 108 lone 4 42 - 9 - ~9915=4, ~10173=2 HB3 LYS 61 - HG LEU 108 lone 3 66 - 4 - 10291/3.0=1 HG2 GLU 122 - HG LEU 108 lone 2 59 - 4 - HB3 GLN 62 - HG LEU 108 lone 2 67 - 3 - HG3 PRO 98 - HG LEU 108 lone 2 42 - 5 - 2.3/9802=1 HB2 PRO 129 - HG LEU 108 lone 2 62 - 3 - Peak 1281 from cnoeabs.peaks (3.08, 1.61, 26.78 ppm; 4.07 A): 2 out of 14 assignments used, quality = 1.00: * HD3 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.0=100 HA2 GLY 78 + HG3 ARG 49 OK 65 100 - 65 - 1272/1.8=8, 1.8/1275=7...(21) HE2 LYS 86 - HG3 ARG 49 OK 37 68 - 55 - ~2740=5, ~2729=5...(22) HE3 LYS 86 - HG3 ARG 49 OK 34 62 - 55 - ~2740=5, ~2729=5...(22) HD3 ARG 49 - HG LEU 108 OK 29 68 - 42 - 1297=6, 1.8/1288=4...(22) HB3 TRP 88 - HG3 ARG 49 OK 21 81 - 26 - 1290/3.0=4, ~2832=4...(11) HA TYR 119 - HG3 ARG 49 OK 19 99 - 20 - 1290/3.0=3, 11686/3.9=3...(8) HB3 TRP 88 - HG LEU 108 OK 18 48 - 37 - ~10069=17, ~9266=7...(7) HA TYR 119 - HG LEU 108 lone 6 65 - 10 - 9263/2.1=3, 10166/2.1=3 HB3 ASP 30 - HG3 ARG 49 lone 6 81 - 7 - HA2 GLY 78 - HG LEU 108 lone 3 67 - 4 - HE2 LYS 86 - HG LEU 108 lone 1 38 - 2 - HE3 LYS 86 - HG LEU 108 lone 1 35 - 2 - HB3 ASP 30 - HG LEU 108 lone 0 48 - 1 - Peak 1285 from cnoeabs.peaks (1.74, 2.07, 44.17 ppm; 4.54 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 GLU 81 - HD2 ARG 49 OK 42 100 - 42 - ~10983=8, 1294/1.8=6...(14) HB3 ARG 144 - HD2 ARG 49 OK 40 81 - 49 - 1294/1.8=5, 1276/3.0=5...(20) HB ILE 83 - HD2 ARG 49 OK 37 77 - 48 - ~10012=10, ~11043=5...(17) HD2 LYS 36 - HD2 ARG 49 OK 37 89 - 42 - 5.6/9826=9, 1294/1.8=5...(15) HG3 ARG 140 - HD2 ARG 49 OK 28 100 - 28 - 1258/3.7=4, 1294/1.8=4...(9) HB3 GLU 81 - HD2 ARG 49 OK 27 68 - 40 - ~10983=8, ~1294=5...(14) Peak 1286 from cnoeabs.peaks (1.34, 2.07, 44.17 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.7=100 HD3 LYS 76 - HD2 ARG 49 OK 37 100 - 37 - 1295/1.8=9, 1250/3.7=8...(7) QB ALA 60 - HD2 ARG 49 OK 29 98 - 30 - 1295/1.8=6, 1277/3.0=4...(9) Peak 1287 from cnoeabs.peaks (1.39, 2.07, 44.17 ppm; 3.91 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 + HD2 ARG 49 OK 59 99 - 60 - 1296/1.8=7, 1278/3.0=5...(39) HB3 LEU 39 - HD2 ARG 49 OK 29 85 - 34 - ~10661=5, 1296/1.8=4...(16) HG LEU 132 - HD2 ARG 49 OK 28 89 - 31 - 1296/1.8=4, 1260/3.7=3...(14) HB2 ARG 109 - HD2 ARG 49 OK 27 96 - 28 - 11119/2.9=5, ~11120=5...(11) HB2 LEU 69 - HD2 ARG 49 OK 27 100 - 27 - 1296/1.8=4, 1260/3.7=2...(11) HB VAL 82 - HD2 ARG 49 OK 12 62 - 19 - ~11597=5, 1296/1.8=2...(8) Peak 1288 from cnoeabs.peaks (1.61, 2.07, 44.17 ppm; 4.44 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HD2 ARG 49 OK 55 100 - 55 - 1297/1.8=6, 1252/3.7=6...(25) HG LEU 108 - HD2 ARG 49 OK 44 94 - 47 - 1297/1.8=5, ~3498=4...(23) HG2 ARG 144 - HD2 ARG 49 OK 41 77 - 53 - ~1297=5, 1297/1.8=5...(24) HB2 LEU 97 - HD2 ARG 49 OK 38 89 - 43 - 4.8/8193=14, 1261/3.7=4...(18) HB3 LEU 64 - HD2 ARG 49 OK 29 100 - 29 - 8368=5, ~9881=3...(12) HB2 LEU 87 - HD2 ARG 49 OK 27 100 - 27 - 8368=4, 1297/1.8=3...(14) HG3 LYS 48 - HD2 ARG 49 OK 20 72 - 28 - 4.9/10664=11, 1297/1.8=3...(8) HG2 ARG 141 - HD2 ARG 49 lone 9 92 - 9 - HG3 LYS 34 - HD2 ARG 49 poor 8 68 - 11 - 9134/8193=2 HD2 LYS 24 - HD2 ARG 49 poor 7 68 - 11 - 11345/6.4=3, 3.0/11373=1 Peak 1289 from cnoeabs.peaks (2.07, 2.07, 44.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 49 + HD2 ARG 49 OK 100 100 - 100 Peak 1290 from cnoeabs.peaks (3.08, 2.07, 44.17 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 1.8=100 HA2 GLY 78 + HD2 ARG 49 OK 49 100 - 49 - ~2352=6, ~2352=6...(18) HE2 LYS 86 - HD2 ARG 49 OK 24 68 - 36 - 3.9/1287=4, 1272/3.0=3...(18) HE3 LYS 86 - HD2 ARG 49 OK 22 62 - 36 - 3.9/1287=4, 1272/3.0=3...(18) HA TYR 119 - HD2 ARG 49 OK 21 99 - 21 - 9428/9827=4, 11686/2.9=3...(10) HB3 TRP 88 - HD2 ARG 49 OK 20 81 - 24 - ~2832=4, ~2832=3...(11) HB3 ASP 30 - HD2 ARG 49 lone 5 81 - 6 - Peak 1293 from cnoeabs.peaks (4.27, 3.08, 44.17 ppm; 5.23 A): 2 out of 9 assignments used, quality = 1.00: * HA ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 5.2=100 HA3 GLY 78 + HD3 ARG 49 OK 71 94 - 76 - 2352=15, 3.0/6839=12...(18) HA2 GLY 50 - HD3 ARG 49 OK 43 85 - 51 - ~6476=11, ~1273=10...(10) HA PRO 118 - HD3 ARG 49 OK 36 92 - 39 - 3.8/10983=12...(11) HA ARG 140 - HD3 ARG 49 OK 33 99 - 33 - 4708/3.7=6, 3.0/11511=5...(9) HA ALA 135 - HD3 ARG 49 OK 25 81 - 31 - 2.1/10325=12...(8) HA LEU 95 - HD3 ARG 49 OK 22 100 - 22 - 9061/10012=3, 1257/3.7=3...(7) HA SER 138 - HD3 ARG 49 OK 19 92 - 21 - 9718/3.0=4, 1257/3.7=3...(7) HB THR 99 - HD3 ARG 49 OK 12 94 - 12 - 1257/3.7=2, 1284/1.8=2...(5) Peak 1294 from cnoeabs.peaks (1.74, 3.08, 44.17 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 GLU 81 - HD3 ARG 49 OK 38 100 - 38 - 3.0/10983=10, 1285/1.8=4...(14) HB3 ARG 144 - HD3 ARG 49 OK 33 81 - 41 - 1276/3.0=5, 3.0/1297=5...(18) HB ILE 83 - HD3 ARG 49 OK 30 77 - 39 - 3.0/10012=4, ~11043=4...(17) HD2 LYS 36 - HD3 ARG 49 OK 30 89 - 33 - 5.6/10667=4, 1267/3.0=4...(12) HG3 ARG 140 - HD3 ARG 49 OK 25 100 - 25 - 1258/3.7=4, 1276/3.0=3...(9) HB3 GLU 81 - HD3 ARG 49 OK 24 68 - 36 - 3.0/10983=10, ~1285=3...(13) Peak 1295 from cnoeabs.peaks (1.34, 3.08, 44.17 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.7=100 HD3 LYS 76 - HD3 ARG 49 OK 35 100 - 35 - 1250/3.7=8, 1286/1.8=8...(7) QB ALA 60 - HD3 ARG 49 OK 24 98 - 24 - 1286/1.8=6, 1277/3.0=4...(6) Peak 1296 from cnoeabs.peaks (1.39, 3.08, 44.17 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 + HD3 ARG 49 OK 48 99 - 48 - 1287/1.8=8, 1278/3.0=5...(21) HB3 LEU 39 - HD3 ARG 49 OK 30 85 - 35 - 1.8/10661=6, 3.0/10975=4...(15) HG LEU 132 - HD3 ARG 49 OK 29 89 - 33 - 1287/1.8=4, 3.0/11511=3...(15) HB2 LEU 69 - HD3 ARG 49 OK 28 100 - 28 - 1287/1.8=3, 1260/3.7=2...(10) HB2 ARG 109 - HD3 ARG 49 OK 28 96 - 28 - 11119/2.9=5, ~11120=5...(12) HB VAL 82 - HD3 ARG 49 OK 12 62 - 20 - ~11597=4, 1287/1.8=2...(7) Peak 1297 from cnoeabs.peaks (1.61, 3.08, 44.17 ppm; 3.71 A): 1 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 - HD3 ARG 49 OK 42 100 - 42 - 1288/1.8=4, 1252/3.7=4...(23) HG LEU 108 - HD3 ARG 49 OK 33 94 - 35 - 1281=4, 1288/1.8=4...(19) HG2 ARG 144 - HD3 ARG 49 OK 30 77 - 39 - 1288/1.8=3, 1270/3.0=3...(22) HB2 LEU 97 - HD3 ARG 49 OK 25 89 - 28 - 4.8/8194=5, 1288/1.8=3...(11) HB3 LEU 64 - HD3 ARG 49 OK 20 100 - 20 - 3.2/9881=3, 8368/1.8=3...(6) HB2 LEU 87 - HD3 ARG 49 OK 19 100 - 19 - 8368/1.8=3, 1270/3.0=2...(7) HG3 LYS 48 - HD3 ARG 49 OK 15 72 - 20 - 4.9/10668=6, 1288/1.8=2...(9) HG3 LYS 34 - HD3 ARG 49 lone 6 68 - 9 - 9797/9829=1 HG2 ARG 141 - HD3 ARG 49 lone 6 92 - 6 - HD2 LYS 24 - HD3 ARG 49 lone 5 68 - 7 - 11345/6.4=2 Peak 1298 from cnoeabs.peaks (2.07, 3.08, 44.17 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 1.8=100 HB2 PRO 129 + HD3 ARG 49 OK 48 96 - 50 - ~11684=8, 3.0/8194=6...(22) HG3 PRO 98 - HD3 ARG 49 OK 35 72 - 49 - ~8193=10, ~8195=10...(16) HG2 GLU 122 - HD3 ARG 49 OK 32 94 - 34 - 3.0/4064=7, 3.0/4072=6...(12) HA ARG 35 - HD3 ARG 49 OK 25 72 - 34 - 3.9/10661=5, 3.6/10667=4...(17) HB2 LEU 26 - HD3 ARG 49 OK 18 100 - 18 - ~253=2, 1271/3.0=1...(7) HB3 LYS 61 - HD3 ARG 49 OK 15 100 - 15 - 1262/3.7=2, 1253/3.7=1...(8) HB3 GLN 62 - HD3 ARG 49 lone 7 100 - 6 - Peak 1299 from cnoeabs.peaks (3.08, 3.08, 44.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 49 + HD3 ARG 49 OK 100 100 - 100 Peak 1301 from cnoeabs.peaks (7.66, 4.26, 44.44 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 50 + HA2 GLY 50 OK 100 100 - 100 - 2.9=100 H LEU 97 - HA2 GLY 50 OK 30 100 - 30 - 1305/1.8=6, 6484/3.6=5...(10) HD21 ASN 130 - HA2 GLY 50 lone 1 72 - 2 - Peak 1302 from cnoeabs.peaks (4.26, 4.26, 44.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 50 + HA2 GLY 50 OK 100 100 - 100 Peak 1303 from cnoeabs.peaks (3.82, 4.26, 44.44 ppm; 3.06 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 50 + HA2 GLY 50 OK 100 100 - 100 - 1.8=100 HA THR 110 - HA2 GLY 50 OK 11 92 - 12 - 6481/2.9=3, 6486/3.6=2...(5) HD2 PRO 118 - HA2 GLY 50 lone 6 92 - 6 - 6481/2.9=1, ~8190=1, 6486/3.6=1 HA LEU 66 - HA2 GLY 50 lone 5 100 - 5 - 6481/2.9=1 HB2 SER 100 - HA2 GLY 50 lone 3 85 - 3 - HA GLN 133 - HA2 GLY 50 lone 3 77 - 3 - Peak 1304 from cnoeabs.peaks (8.01, 4.26, 44.44 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * H THR 51 + HA2 GLY 50 OK 100 100 - 100 - 3.6=100 H ARG 145 - HA2 GLY 50 OK 18 96 - 18 - 6482/2.9=7, 1308/1.8=6...(7) H ALA 104 - HA2 GLY 50 lone 2 62 - 3 - Peak 1305 from cnoeabs.peaks (7.66, 3.82, 44.44 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 50 + HA3 GLY 50 OK 100 100 - 100 - 2.9=100 H LEU 97 - HA3 GLY 50 OK 21 100 - 21 - 1301/1.8=8, 6484/3.6=5...(5) HD21 ASN 130 - HA3 GLY 50 lone 1 72 - 1 - Peak 1306 from cnoeabs.peaks (4.26, 3.82, 44.44 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HA2 GLY 50 + HA3 GLY 50 OK 100 100 - 100 - 1.8=100 HA ARG 49 - HA3 GLY 50 OK 35 85 - 41 - 6480/2.9=9, 6485/3.6=5...(13) HA LEU 95 - HA3 GLY 50 poor 9 89 - 11 - ~11579=5, 6480/2.9=2 HB THR 99 - HA3 GLY 50 lone 8 100 - 8 - 2.1/10160=3, ~3302=1, 6480/2.9=1 HA ALA 135 - HA3 GLY 50 lone 4 100 - 4 - HA GLU 142 - HA3 GLY 50 lone 3 68 - 5 - 10510/3.6=2 HA ARG 140 - HA3 GLY 50 lone 3 68 - 4 - HA SER 138 - HA3 GLY 50 lone 3 100 - 3 - Peak 1307 from cnoeabs.peaks (3.82, 3.82, 44.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 50 + HA3 GLY 50 OK 100 100 - 100 Peak 1308 from cnoeabs.peaks (8.01, 3.82, 44.44 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H THR 51 + HA3 GLY 50 OK 100 100 - 100 - 3.6=100 H ARG 145 - HA3 GLY 50 OK 16 96 - 17 - 6482/2.9=7, 1304/1.8=6...(4) H ALA 104 - HA3 GLY 50 lone 2 62 - 3 - Peak 1310 from cnoeabs.peaks (4.72, 4.72, 56.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 51 + HA THR 51 OK 100 100 - 100 Peak 1311 from cnoeabs.peaks (4.36, 4.72, 56.39 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 51 + HA THR 51 OK 100 100 - 100 - 3.0=100 HA ARG 144 - HA THR 51 OK 34 100 - 34 - 4882/2.9=9, 1319/3.2=5...(12) HA ASP 65 - HA THR 51 OK 24 89 - 28 - 8387/3.2=6, ~1862=3...(11) HA3 GLY 77 - HA THR 51 OK 17 89 - 19 - ~8210=3, ~8214=3...(8) HA ASN 96 - HA THR 51 lone 4 72 - 6 - 6488/2.9=2 Peak 1312 from cnoeabs.peaks (0.96, 4.72, 56.39 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 51 + HA THR 51 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 - HA THR 51 OK 44 100 - 44 - 8062/3.0=10, 6489/2.9=8...(14) HG3 ARG 35 - HA THR 51 OK 31 100 - 31 - 6489/2.9=5, 1316/3.0=5...(13) Peak 1313 from cnoeabs.peaks (8.01, 4.36, 69.71 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * H THR 51 + HB THR 51 OK 100 100 - 100 - 4.0=100 H ARG 145 - HB THR 51 OK 35 96 - 36 - 1317/2.1=8, 4.3/4893=7...(10) H ALA 104 - HB THR 51 lone 4 62 - 7 - ~8213=2, 1317/2.1=1 Peak 1314 from cnoeabs.peaks (4.72, 4.36, 69.71 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 51 + HB THR 51 OK 100 100 - 100 - 3.0=100 HA SER 127 - HB THR 51 OK 17 100 - 17 - 1318/2.1=4, 6487/4.0=2...(10) HA LEU 116 - HB THR 51 OK 15 96 - 15 - 1318/2.1=4, 6487/4.0=2...(9) Peak 1315 from cnoeabs.peaks (4.36, 4.36, 69.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 51 + HB THR 51 OK 100 100 - 100 Peak 1316 from cnoeabs.peaks (0.96, 4.36, 69.71 ppm; 2.87 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 51 + HB THR 51 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 - HB THR 51 OK 38 100 - 38 - 8062=9, 2.1/8059=5...(15) HG3 ARG 35 - HB THR 51 OK 22 100 - 22 - 1312/3.0=3, ~616=3...(12) Peak 1317 from cnoeabs.peaks (8.01, 0.96, 19.03 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.87: * H THR 51 + QG2 THR 51 OK 84 100 - 84 - 4.0=61, 2.9/1318=24...(14) H ARG 145 + QG2 THR 51 OK 17 96 - 17 - 7887/2.1=5, 3.6/1319=3...(5) H ALA 104 - QG2 THR 51 lone 2 62 - 4 - 2.8/8213=1 Peak 1318 from cnoeabs.peaks (4.72, 0.96, 19.03 ppm; 2.96 A): 3 out of 3 assignments used, quality = 0.89: * HA THR 51 + QG2 THR 51 OK 86 100 - 86 - 3.2=79, 2.9/1317=17...(4) HA SER 127 + QG2 THR 51 OK 12 100 - 12 - 1314/2.1=3, 3.0/8213=2 HA LEU 116 + QG2 THR 51 OK 11 96 - 11 - 1314/2.1=3, 6487/4.0=2...(6) Peak 1319 from cnoeabs.peaks (4.36, 0.96, 19.03 ppm; 2.72 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 51 + QG2 THR 51 OK 100 100 - 100 - 2.1=100 HA ARG 144 - QG2 THR 51 OK 19 100 - 19 - 4882/4.0=3, 3.9/8226=3...(10) HA ASP 65 - QG2 THR 51 OK 16 89 - 18 - 8387=3, 3.0/8381=3...(7) HA3 GLY 77 - QG2 THR 51 poor 9 89 - 10 - 1.8/8214=2, ~8210=2...(5) HA ASN 96 - QG2 THR 51 lone 3 72 - 5 - 3.6/10645=2 Peak 1320 from cnoeabs.peaks (0.96, 0.96, 19.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 51 + QG2 THR 51 OK 100 100 - 100 Peak 1321 from cnoeabs.peaks (4.72, 3.26, 50.40 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 51 + HD2 PRO 52 OK 100 100 - 100 - 3.8=100 HA LEU 116 - HD2 PRO 52 OK 14 96 - 14 - 1323/1.8=4, 2.9/9379=3...(5) HA SER 127 - HD2 PRO 52 OK 12 100 - 12 - 1323/1.8=4, 1314/4.8=3...(4) Peak 1322 from cnoeabs.peaks (3.26, 4.72, 56.39 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.95: * HD2 PRO 52 + HA THR 51 OK 95 100 - 95 - 3.8=76, 1.8/1323=27...(17) HB2 TYR 112 - HA THR 51 OK 21 100 - 21 - 8215/3.2=5, 1338/3.8=5...(6) HD2 ARG 89 - HA THR 51 OK 20 92 - 22 - 8215/3.2=7, 8206/2.9=4...(6) Peak 1323 from cnoeabs.peaks (4.72, 3.54, 50.40 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.98: * HA THR 51 + HD3 PRO 52 OK 98 100 - 98 - 3.8=89, 1322/1.8=27...(16) HA LEU 116 - HD3 PRO 52 OK 11 96 - 11 - 1321/1.8=3, ~9379=2...(5) HA SER 127 - HD3 PRO 52 lone 10 100 - 10 - 1321/1.8=3, 1314/4.8=2...(4) Peak 1324 from cnoeabs.peaks (3.54, 4.72, 56.39 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 52 + HA THR 51 OK 100 100 - 100 - 3.8=100 Peak 1326 from cnoeabs.peaks (2.05, 3.26, 50.40 ppm; 4.20 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.0=100 HG3 PRO 98 + HD2 PRO 52 OK 92 100 - 93 - 1366/2.3=12, 1358/3.0=11...(53) HG2 PRO 98 + HD2 PRO 52 OK 82 89 - 93 - 1366/2.3=11, 1358/3.0=10...(53) HB2 PRO 33 - HD2 PRO 52 OK 38 62 - 61 - 1358/3.0=4, 3.0/1325=4...(31) HB3 GLN 62 - HD2 PRO 52 OK 28 68 - 41 - 1366/2.3=4, ~1759=4...(20) HA ARG 35 - HD2 PRO 52 OK 18 100 - 18 - 3.9/8232=4, 586/4.6=3...(6) Peak 1327 from cnoeabs.peaks (1.94, 3.26, 50.40 ppm; 3.63 A): 4 out of 10 assignments used, quality = 1.00: * HB3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 GLU 122 + HD2 PRO 52 OK 60 99 - 61 - 4078/2.3=10, ~4068=6...(27) HB3 PRO 98 + HD2 PRO 52 OK 53 68 - 79 - 2.3/1326=7, 2.3/1326=6...(42) HB2 ARG 89 - HD2 PRO 52 OK 44 99 - 44 - 2864=7, 1.8/2872=6...(19) HG2 PRO 12 - HD2 PRO 52 OK 40 81 - 50 - ~103=4, 1335/1.8=4...(35) HG3 PRO 12 - HD2 PRO 52 OK 34 68 - 51 - ~87=4, ~79=4, 103/2.3=4...(35) HB2 GLN 62 - HD2 PRO 52 OK 27 81 - 33 - 1759/3.0=4, 1.8/1326=3...(18) HB3 LEU 132 - HD2 PRO 52 poor 8 72 - 10 - HB2 ARG 140 - HD2 PRO 52 lone 8 85 - 9 - Peak 1328 from cnoeabs.peaks (1.94, 3.26, 50.40 ppm; 3.63 A): 4 out of 10 assignments used, quality = 1.00: * HG2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.0=100 HB3 GLU 122 + HD2 PRO 52 OK 60 100 - 61 - 4078/2.3=10, ~4068=6...(27) HB3 PRO 98 + HD2 PRO 52 OK 57 72 - 79 - 2.3/1326=7, 2.3/1326=6...(42) HB2 ARG 89 - HD2 PRO 52 OK 43 98 - 44 - 2864=7, 1.8/2872=6...(19) HG2 PRO 12 - HD2 PRO 52 OK 38 77 - 50 - ~103=4, 1335/1.8=4...(35) HG3 PRO 12 - HD2 PRO 52 OK 32 62 - 51 - ~87=4, ~79=4, ~55=3...(35) HB2 GLN 62 - HD2 PRO 52 OK 25 77 - 33 - 1759/3.0=3, 1.8/1326=3...(18) HB2 ARG 140 - HD2 PRO 52 lone 7 81 - 9 - HB3 LEU 132 - HD2 PRO 52 poor 7 68 - 10 - Peak 1329 from cnoeabs.peaks (2.00, 3.26, 50.40 ppm; 3.59 A): 3 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 GLN 111 + HD2 PRO 52 OK 64 99 - 65 - 1379/1.8=12, 1378=9...(24) HG3 GLU 122 + HD2 PRO 52 OK 60 100 - 60 - 1369/2.3=9, 1361/3.0=8...(24) HB VAL 63 - HD2 PRO 52 OK 20 81 - 24 - 2.1/8232=6, ~8233=3...(11) QE MET 113 - HD2 PRO 52 OK 12 89 - 13 - 9337/8231=2, 6.2/7379=2 QE MET 11 - HD2 PRO 52 OK 11 100 - 11 - 10601/4.6=3, 1337/1.8=1 HB3 GLU 90 - HD2 PRO 52 OK 11 99 - 10 - 1369/2.3=1, 1337/1.8=1...(4) QE MET 59 - HD2 PRO 52 lone 8 77 - 10 - 3.4/10453=2, 3.4/10453=1 HB3 GLU 37 - HD2 PRO 52 lone 7 89 - 7 - 1353/3.0=1 HB2 GLU 37 - HD2 PRO 52 lone 5 77 - 7 - Peak 1330 from cnoeabs.peaks (3.26, 3.26, 50.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 Peak 1331 from cnoeabs.peaks (3.54, 3.26, 50.40 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 1.8=100 Peak 1334 from cnoeabs.peaks (2.05, 3.54, 50.40 ppm; 4.15 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.0=100 HG3 PRO 98 + HD3 PRO 52 OK 92 100 - 92 - 1366/2.3=12, 1358/3.0=11...(53) HG2 PRO 98 + HD3 PRO 52 OK 82 89 - 92 - 1366/2.3=11, 1358/3.0=9...(53) HB2 PRO 33 - HD3 PRO 52 OK 37 62 - 60 - 3.0/1333=4, 1358/3.0=4...(31) HB3 GLN 62 - HD3 PRO 52 OK 27 68 - 41 - 1366/2.3=4, ~1759=4...(20) HA ARG 35 - HD3 PRO 52 OK 18 100 - 18 - 3.9/8233=4, 586/4.6=3...(6) Peak 1335 from cnoeabs.peaks (1.94, 3.54, 50.40 ppm; 3.30 A): 4 out of 10 assignments used, quality = 1.00: * HB3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 GLU 122 + HD3 PRO 52 OK 52 99 - 53 - 4078/2.3=9, ~4068=5...(27) HB3 PRO 98 + HD3 PRO 52 OK 48 68 - 70 - 2.3/1334=6, 2.3/1334=5...(42) HG2 PRO 12 - HD3 PRO 52 OK 40 81 - 49 - 3.8/8235=11, ~103=3...(27) HB2 ARG 89 - HD3 PRO 52 OK 35 99 - 35 - 2864/1.8=6, 3.5/1338=4...(19) HG3 PRO 12 - HD3 PRO 52 OK 33 68 - 50 - 3.8/8235=11, 103/2.3=3...(34) HB2 GLN 62 - HD3 PRO 52 OK 23 81 - 28 - 1759/3.0=3, 1.8/1334=3...(12) HB3 LEU 132 - HD3 PRO 52 lone 6 72 - 9 - HB2 ARG 140 - HD3 PRO 52 lone 5 85 - 6 - Peak 1336 from cnoeabs.peaks (1.94, 3.54, 50.40 ppm; 3.30 A): 4 out of 10 assignments used, quality = 1.00: * HG2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.0=100 HB3 GLU 122 + HD3 PRO 52 OK 52 100 - 53 - 4078/2.3=9, ~4068=5...(27) HB3 PRO 98 + HD3 PRO 52 OK 51 72 - 71 - 2.3/1334=6, 2.3/1334=5...(42) HG2 PRO 12 - HD3 PRO 52 OK 37 77 - 49 - 3.8/8235=11, ~103=3...(27) HB2 ARG 89 - HD3 PRO 52 OK 34 98 - 35 - 2864/1.8=6, 3.5/1338=4...(19) HG3 PRO 12 - HD3 PRO 52 OK 31 62 - 50 - 3.8/8235=11, ~87=3...(34) HB2 GLN 62 - HD3 PRO 52 OK 21 77 - 27 - 1759/3.0=3, 1.8/1334=3...(12) HB3 LEU 132 - HD3 PRO 52 lone 6 68 - 8 - HB2 ARG 140 - HD3 PRO 52 lone 5 81 - 6 - Peak 1337 from cnoeabs.peaks (2.00, 3.54, 50.40 ppm; 3.60 A): 3 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 GLN 111 + HD3 PRO 52 OK 63 99 - 64 - 1379=14, 1378/1.8=8...(23) HG3 GLU 122 + HD3 PRO 52 OK 60 100 - 60 - 1369/2.3=9, 1361/3.0=8...(24) HB VAL 63 - HD3 PRO 52 OK 20 81 - 24 - 2.1/8233=5, ~8232=4...(11) QE MET 11 - HD3 PRO 52 OK 11 100 - 11 - 10601/4.6=3, 1329/1.8=1 HB3 GLU 90 - HD3 PRO 52 OK 10 99 - 10 - 1369/2.3=1, 1329/1.8=1...(4) QE MET 113 - HD3 PRO 52 poor 10 89 - 11 - 9337/10643=2, 1329/1.8=1 QE MET 59 - HD3 PRO 52 lone 8 77 - 10 - 3.4/10455=2, 3.4/10455=2 HB3 GLU 37 - HD3 PRO 52 lone 7 89 - 7 - 1353/3.0=1 HB2 GLU 37 - HD3 PRO 52 lone 6 77 - 7 - Peak 1338 from cnoeabs.peaks (3.26, 3.54, 50.40 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 1.8=100 HB2 TYR 112 - HD3 PRO 52 OK 38 100 - 38 - 1370/2.3=5, ~3675=4...(16) HD2 ARG 89 - HD3 PRO 52 OK 31 92 - 34 - 1370/2.3=5, 8215/4.6=4...(19) Peak 1339 from cnoeabs.peaks (3.54, 3.54, 50.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 Peak 1341 from cnoeabs.peaks (4.10, 4.10, 62.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PRO 52 + HA PRO 52 OK 100 100 - 100 HA THR 99 + HA THR 99 OK 78 78 - 100 Peak 1342 from cnoeabs.peaks (2.05, 4.10, 62.73 ppm; 4.04 A): 7 out of 12 assignments used, quality = 1.00: * HB2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HA PRO 52 OK 88 100 - 88 - 1358/2.3=12, 1366/3.8=8...(41) HG2 PRO 98 + HA PRO 52 OK 78 89 - 88 - 1358/2.3=10, ~1358=8...(41) HG3 PRO 98 + HA THR 99 OK 56 81 - 69 - 3.8/9158=17, ~3273=16...(16) HG2 PRO 98 + HA THR 99 OK 47 67 - 70 - 3.8/9158=17, ~3273=16...(15) HB2 PRO 52 + HA THR 99 OK 46 82 - 57 - 1349=9, 1.8/1357=7...(21) HB2 PRO 33 + HA PRO 52 OK 46 62 - 74 - 2.3/472=11, 2.3/480=11...(29) HB3 GLN 62 - HA PRO 52 OK 25 68 - 37 - ~1759=5, 1358/2.3=4...(21) HA ARG 35 - HA PRO 52 OK 12 100 - 12 - 6215/10764=2, ~594=1...(6) HB2 PRO 33 - HA THR 99 poor 6 45 - 13 - 2.3/448=1, 7165/3.0=1...(6) HA ARG 35 - HA THR 99 lone 3 81 - 4 - HB3 GLN 62 - HA THR 99 lone 3 49 - 6 - 1764/3.6=1, ~9152=1 Peak 1343 from cnoeabs.peaks (1.94, 4.10, 62.73 ppm; 4.01 A): 5 out of 20 assignments used, quality = 1.00: * HB3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.8=100 HB3 PRO 98 + HA PRO 52 OK 58 68 - 87 - 2.3/1342=9, 2.3/9158=8...(40) HB3 GLU 122 + HA PRO 52 OK 51 99 - 52 - 4078/3.8=8, ~4068=7...(18) HB3 PRO 52 + HA THR 99 OK 46 82 - 56 - 1357=8, 1.8/1349=7...(21) HG2 PRO 12 - HA PRO 52 OK 41 81 - 51 - ~103=5, ~87=4, ~79=4...(27) HB3 PRO 98 - HA THR 99 OK 41 49 - 84 - 2.3/9158=23, ~3257=18...(22) HG3 PRO 12 - HA PRO 52 OK 34 68 - 51 - ~87=4, ~79=4, ~55=4...(27) HG2 PRO 52 - HA THR 99 OK 33 82 - 40 - 2.3/1349=7, 2.3/1357=7...(12) HB2 GLN 62 - HA PRO 52 OK 28 81 - 34 - 1759/2.3=5, 1.8/1342=4...(18) HB2 ARG 89 - HA PRO 52 OK 28 99 - 28 - 2864/3.6=5, ~2868=3...(13) HB2 ARG 89 - HA THR 99 OK 20 79 - 25 - ~8949=5, ~9152=5...(8) HB3 LEU 132 - HA THR 99 OK 15 53 - 28 - 9166/3.6=4, 1.8/3293=4...(15) HB3 LEU 132 - HA PRO 52 OK 11 72 - 15 - 6493/3.6=3, ~4481=1 HB2 ARG 140 - HA THR 99 poor 7 64 - 12 - ~9152=3, ~10157=2, ~9152=1 HB2 ARG 140 - HA PRO 52 lone 6 85 - 7 - HB2 GLN 62 - HA THR 99 lone 5 60 - 8 - 1756/3.6=2, 9152/3.2=2 HB3 GLU 122 - HA THR 99 lone 4 79 - 5 - HG2 PRO 12 - HA THR 99 lone 1 60 - 2 - HG3 PRO 12 - HA THR 99 lone 1 49 - 2 - Peak 1344 from cnoeabs.peaks (1.94, 4.10, 62.73 ppm; 4.01 A): 5 out of 20 assignments used, quality = 1.00: * HG2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.8=100 HB3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 98 + HA PRO 52 OK 63 72 - 87 - 2.3/1342=9, 2.3/9158=8...(40) HB3 GLU 122 + HA PRO 52 OK 52 100 - 52 - 4078/3.8=8, ~4068=7...(18) HB3 PRO 52 + HA THR 99 OK 46 82 - 56 - 1357=8, 1.8/1349=7...(21) HB3 PRO 98 - HA THR 99 OK 45 53 - 85 - 2.3/9158=23, ~3257=18...(22) HG2 PRO 12 - HA PRO 52 OK 39 77 - 51 - ~103=5, ~87=4, ~79=4...(27) HG2 PRO 52 - HA THR 99 OK 33 82 - 40 - 2.3/1349=7, 2.3/1357=7...(12) HG3 PRO 12 - HA PRO 52 OK 31 62 - 50 - ~87=4, ~79=4, ~55=4...(27) HB2 ARG 89 - HA PRO 52 OK 27 98 - 28 - 2864/3.6=5, ~2868=3...(13) HB2 GLN 62 - HA PRO 52 OK 26 77 - 34 - 1759/2.3=5, 1.8/1342=4...(18) HB2 ARG 89 - HA THR 99 OK 20 78 - 25 - ~8949=5, ~9152=5...(7) HB3 LEU 132 - HA THR 99 OK 13 49 - 28 - 1.8/3293=4, 9166/3.6=4...(15) HB3 LEU 132 - HA PRO 52 poor 10 68 - 15 - 6493/3.6=3, ~4481=1 HB2 ARG 140 - HA THR 99 poor 7 60 - 11 - ~9152=3, ~10157=2, ~9152=1 HB2 ARG 140 - HA PRO 52 lone 6 81 - 7 - HB2 GLN 62 - HA THR 99 lone 4 57 - 7 - 1756/3.6=2, 9152/3.2=2 HB3 GLU 122 - HA THR 99 lone 4 81 - 5 - HG2 PRO 12 - HA THR 99 lone 1 57 - 2 - HG3 PRO 12 - HA THR 99 lone 1 45 - 2 - Peak 1345 from cnoeabs.peaks (2.00, 4.10, 62.73 ppm; 4.37 A): 2 out of 20 assignments used, quality = 1.00: * HG3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.8=100 HG3 GLU 122 + HA PRO 52 OK 55 100 - 55 - 4090/2.3=11, 4090/3.8=9...(14) HB2 GLN 111 - HA PRO 52 OK 44 99 - 45 - 1379/3.6=12, 1353/2.3=9...(8) HG3 PRO 52 - HA THR 99 OK 35 82 - 43 - 9153/3.2=9, 2.3/1349=7...(10) HB3 GLU 37 - HA PRO 52 OK 14 89 - 15 - 4.0/10764=9, 1353/2.3=1 HB2 GLU 37 - HA PRO 52 OK 11 77 - 14 - 4.0/10764=9, 1353/2.3=1, ~1353=1 QE MET 113 - HA PRO 52 OK 11 89 - 12 - 9337/10457=4, 1329/3.6=1...(5) QE MET 11 - HA PRO 52 OK 10 100 - 10 - 1353/2.3=1, 1337/3.6=1...(4) HB VAL 63 - HA PRO 52 poor 10 81 - 12 - 1329/3.6=2, 1337/3.6=2...(5) HB3 GLU 90 - HA PRO 52 lone 9 99 - 8 - 1361/2.3=2, 1353/2.3=2...(5) HB2 GLN 111 - HA THR 99 poor 8 79 - 11 - 9153/3.2=2, ~9152=1...(4) HB VAL 63 - HA THR 99 poor 8 60 - 13 - 9153/3.2=3, ~8354=3...(5) QE MET 113 - HA THR 99 poor 7 67 - 10 - 9153/3.2=6 QE MET 59 - HA PRO 52 lone 7 77 - 9 - 3.4/10641=2 QE MET 59 - HA THR 99 poor 7 57 - 12 - 10405/3.2=6, 3.4/10641=2 QE MET 11 - HA THR 99 lone 5 82 - 6 - 9153/3.2=1, 10083/10120=1 HG3 GLU 122 - HA THR 99 lone 4 81 - 5 - 9153/3.2=1 HB3 GLU 37 - HA THR 99 lone 4 67 - 5 - 4.0/10764=3 HB2 GLU 37 - HA THR 99 lone 3 57 - 5 - 4.0/10764=3 HB3 GLU 90 - HA THR 99 lone 3 79 - 3 - Peak 1348 from cnoeabs.peaks (8.69, 4.10, 62.73 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 53 + HA PRO 52 OK 100 100 - 100 - 3.6=100 H THR 92 - HA THR 99 OK 12 53 - 23 - 3.9/10120=12, ~10154=9 H VAL 53 - HA THR 99 OK 12 82 - 15 - 3.9/1349=5, 3.9/1357=5, 6491=4 H ASN 130 - HA THR 99 poor 8 78 - 10 - 4.0/10763=2, 10388/3.0=2...(5) H THR 92 - HA PRO 52 lone 5 72 - 7 - 4.7/10641=3, 3.9/10163=2 H ASN 130 - HA PRO 52 lone 2 98 - 2 - Peak 1349 from cnoeabs.peaks (4.10, 2.05, 32.05 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HD3 PRO 33 + HB2 PRO 52 OK 61 99 - 61 - 1357/1.8=9, ~432=5...(31) HB THR 110 - HB2 PRO 52 OK 43 89 - 48 - 3.0/10642=7, 1357/1.8=6...(18) HA THR 99 - HB2 PRO 52 OK 42 98 - 43 - 1357/1.8=6, ~7169=4...(20) Peak 1350 from cnoeabs.peaks (2.05, 2.05, 32.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 Peak 1351 from cnoeabs.peaks (1.94, 2.05, 32.05 ppm; 2.86 A): 2 out of 10 assignments used, quality = 1.00: * HB3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 1.8=100 HG2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 GLU 122 - HB2 PRO 52 OK 44 99 - 45 - 4078/2.3=7, ~4068=4...(26) HB3 PRO 98 - HB2 PRO 52 OK 43 68 - 64 - 1.8/3262=8, 3270=5...(36) HG2 PRO 12 - HB2 PRO 52 OK 31 81 - 38 - ~103=3, ~79=2, ~87=2...(20) HG3 PRO 12 - HB2 PRO 52 OK 26 68 - 39 - 103/1.8=3, 103/2.3=3...(21) HB2 ARG 89 - HB2 PRO 52 OK 23 99 - 23 - 2864/3.0=3, ~2868=2...(14) HB2 GLN 62 - HB2 PRO 52 OK 21 81 - 26 - 1759=3, ~1766=2...(10) HB3 LEU 132 - HB2 PRO 52 lone 6 72 - 8 - 6493/3.9=1 HB2 ARG 140 - HB2 PRO 52 lone 4 85 - 5 - Peak 1352 from cnoeabs.peaks (1.94, 2.05, 32.05 ppm; 2.86 A): 3 out of 10 assignments used, quality = 1.00: * HG2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 1.8=100 HB3 PRO 98 + HB2 PRO 52 OK 47 72 - 64 - 1.8/3262=8, 3270=6...(36) HB3 GLU 122 - HB2 PRO 52 OK 44 100 - 45 - 4078/2.3=7, ~4068=4...(26) HG2 PRO 12 - HB2 PRO 52 OK 29 77 - 38 - ~103=3, ~79=2, ~87=2...(20) HG3 PRO 12 - HB2 PRO 52 OK 24 62 - 39 - 103/1.8=3, ~79=2, ~87=2...(21) HB2 ARG 89 - HB2 PRO 52 OK 23 98 - 23 - 2864/3.0=3, ~2868=2...(14) HB2 GLN 62 - HB2 PRO 52 OK 20 77 - 26 - 1759=3, ~1766=2...(10) HB3 LEU 132 - HB2 PRO 52 lone 6 68 - 8 - 6493/3.9=1 HB2 ARG 140 - HB2 PRO 52 lone 4 81 - 4 - Peak 1353 from cnoeabs.peaks (2.00, 2.05, 32.05 ppm; 2.55 A): 1 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HG3 GLU 122 - HB2 PRO 52 OK 35 100 - 36 - 1361/1.8=6, 1369/2.3=5...(15) HB2 GLN 111 - HB2 PRO 52 OK 35 99 - 36 - 1374=6, 1361/1.8=5...(18) HB VAL 63 - HB2 PRO 52 poor 8 81 - 10 - 1361/1.8=1, ~8232=1...(4) HB3 GLU 37 - HB2 PRO 52 lone 6 89 - 6 - 4.0/6215=2 HB3 GLU 90 - HB2 PRO 52 lone 5 99 - 5 - QE MET 11 - HB2 PRO 52 lone 5 100 - 5 - HB2 GLU 37 - HB2 PRO 52 lone 5 77 - 6 - 4.0/6215=2 QE MET 113 - HB2 PRO 52 lone 4 89 - 5 - QE MET 59 - HB2 PRO 52 lone 3 77 - 4 - Peak 1354 from cnoeabs.peaks (3.26, 2.05, 32.05 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HD2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 3.0=100 HB2 TYR 112 + HB2 PRO 52 OK 75 100 - 76 - ~3675=15, 1362/1.8=13...(13) HD2 ARG 89 + HB2 PRO 52 OK 53 92 - 58 - 1370/2.3=11, 1338/3.0=9...(16) Peak 1357 from cnoeabs.peaks (4.10, 1.94, 32.05 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 2.3=100 HD3 PRO 33 + HB3 PRO 52 OK 61 99 - 62 - 1349/1.8=9, ~432=5...(31) HB THR 110 - HB3 PRO 52 OK 42 89 - 47 - 1349/1.8=6, ~10642=4...(18) HA THR 99 - HB3 PRO 52 OK 40 98 - 41 - 1349/1.8=6, ~7169=4...(21) Peak 1358 from cnoeabs.peaks (2.05, 1.94, 32.05 ppm; 2.68 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 1.8=100 HG3 PRO 98 + HB3 PRO 52 OK 70 100 - 70 - 1366/2.3=6, 1374/2.3=6...(47) HG2 PRO 98 + HB3 PRO 52 OK 62 89 - 70 - 1366/2.3=5, 1374/2.3=5...(47) HB2 PRO 33 - HB3 PRO 52 OK 28 62 - 44 - 3.0/1357=4, ~472=2...(34) HB3 GLN 62 - HB3 PRO 52 OK 17 68 - 25 - ~1759=2, 1366/2.3=2...(9) HA ARG 35 - HB3 PRO 52 lone 5 100 - 5 - Peak 1359 from cnoeabs.peaks (1.94, 1.94, 32.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 Peak 1360 from cnoeabs.peaks (1.94, 1.94, 32.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 Reference assignment not found: HG2 PRO 52 - HB3 PRO 52 Peak 1361 from cnoeabs.peaks (2.00, 1.94, 32.05 ppm; 2.54 A): 1 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 2.3=100 HG3 GLU 122 - HB3 PRO 52 OK 44 100 - 45 - 1353/1.8=5, 1369/2.3=5...(18) HB2 GLN 111 - HB3 PRO 52 OK 33 99 - 34 - 1353/1.8=5, 1369/2.3=4...(18) HB VAL 63 - HB3 PRO 52 poor 8 81 - 10 - 1353/1.8=1, ~8232=1...(4) HB3 GLU 90 - HB3 PRO 52 lone 6 99 - 6 - QE MET 11 - HB3 PRO 52 lone 5 100 - 5 - QE MET 113 - HB3 PRO 52 lone 5 89 - 5 - HB3 GLU 37 - HB3 PRO 52 lone 4 89 - 5 - HB2 GLU 37 - HB3 PRO 52 lone 3 77 - 4 - QE MET 59 - HB3 PRO 52 lone 3 77 - 3 - Peak 1365 from cnoeabs.peaks (4.10, 1.94, 27.30 ppm; 5.14 A): 4 out of 4 assignments used, quality = 1.00: * HA PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 3.8=100 HD3 PRO 33 + HG2 PRO 52 OK 70 99 - 71 - 1357/2.3=12, 1349/2.3=12...(24) HB THR 110 + HG2 PRO 52 OK 62 89 - 69 - ~8231=10, ~10642=9...(14) HA THR 99 + HG2 PRO 52 OK 51 98 - 53 - 1349/2.3=8, ~9153=8...(12) Peak 1366 from cnoeabs.peaks (2.05, 1.94, 27.30 ppm; 3.05 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HG2 PRO 52 OK 79 100 - 80 - 1374/1.8=8, 1358/2.3=8...(59) HG2 PRO 98 + HG2 PRO 52 OK 71 89 - 80 - 1374/1.8=8, 1358/2.3=7...(59) HB2 PRO 33 - HG2 PRO 52 OK 24 62 - 39 - 1358/2.3=3, 3.0/1365=3...(28) HB3 GLN 62 - HG2 PRO 52 OK 20 68 - 30 - 1358/2.3=3, ~1759=3...(11) HA ARG 35 - HG2 PRO 52 lone 6 100 - 6 - Peak 1367 from cnoeabs.peaks (1.94, 1.94, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 Reference assignment not found: HB3 PRO 52 - HG2 PRO 52 Peak 1368 from cnoeabs.peaks (1.94, 1.94, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 Peak 1369 from cnoeabs.peaks (2.00, 1.94, 27.30 ppm; 2.70 A): 2 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 1.8=100 HG3 GLU 122 + HG2 PRO 52 OK 51 100 - 51 - 4090=6, 1361/2.3=6...(19) HB2 GLN 111 - HG2 PRO 52 OK 42 99 - 42 - 1379/2.3=5, 1353/2.3=5...(18) HB VAL 63 - HG2 PRO 52 OK 11 81 - 13 - ~8232=2, ~8233=2...(8) HB3 GLU 90 - HG2 PRO 52 lone 7 99 - 7 - QE MET 11 - HG2 PRO 52 lone 5 100 - 5 - QE MET 113 - HG2 PRO 52 lone 5 89 - 6 - HB3 GLU 37 - HG2 PRO 52 lone 5 89 - 5 - HB2 GLU 37 - HG2 PRO 52 lone 4 77 - 5 - QE MET 59 - HG2 PRO 52 lone 3 77 - 4 - Peak 1370 from cnoeabs.peaks (3.26, 1.94, 27.30 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 TYR 112 - HG2 PRO 52 OK 43 100 - 44 - 1338/2.3=9, ~3675=7...(11) HD2 ARG 89 - HG2 PRO 52 OK 42 92 - 46 - 1338/2.3=8, 1378/1.8=5...(18) Peak 1371 from cnoeabs.peaks (3.54, 1.94, 27.30 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 2.3=100 Peak 1373 from cnoeabs.peaks (4.10, 2.00, 27.30 ppm; 5.01 A): 6 out of 8 assignments used, quality = 1.00: * HA PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 3.8=100 HD3 PRO 33 + HG3 PRO 52 OK 70 99 - 71 - 1357/2.3=12, 1349/2.3=12...(23) HB THR 110 + HB2 GLN 111 OK 66 81 - 81 - 3598/3.9=23, 9284/3.0=17...(19) HB THR 110 + HG3 PRO 52 OK 64 89 - 72 - 2.1/9288=10, 3.0/9280=10...(17) HA PRO 52 + HB2 GLN 111 OK 50 96 - 52 - 3.6/1379=15, 3.6/1378=11...(8) HA THR 99 + HG3 PRO 52 OK 49 98 - 51 - 3.2/9153=11, 1349/2.3=8...(10) HD3 PRO 33 - HB2 GLN 111 OK 20 93 - 21 - 424/2.9=4, ~422=3...(8) HA THR 99 - HB2 GLN 111 OK 12 91 - 13 - 3.2/9153=2, 7325/3.9=1...(5) Peak 1374 from cnoeabs.peaks (2.05, 2.00, 27.30 ppm; 2.50 A): 3 out of 12 assignments used, quality = 1.00: * HB2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HG3 PRO 52 OK 59 100 - 59 - 1366/1.8=6, 1358/2.3=6...(38) HG2 PRO 98 + HG3 PRO 52 OK 52 89 - 59 - 1366/1.8=5, 1358/2.3=5...(38) HB2 PRO 52 - HB2 GLN 111 OK 34 96 - 36 - 1353=8, 1.8/1361=5...(17) HB2 PRO 33 - HG3 PRO 52 OK 16 62 - 25 - 1.8/35=2, 1358/2.3=2...(12) HB3 GLN 62 - HG3 PRO 52 OK 12 68 - 17 - 1366/1.8=2, 1358/2.3=2...(7) HA ARG 35 - HG3 PRO 52 lone 5 100 - 5 - HA ARG 35 - HB2 GLN 111 lone 3 94 - 3 - 3.6/11711=2 HG3 PRO 98 - HB2 GLN 111 lone 2 94 - 3 - HG2 PRO 98 - HB2 GLN 111 lone 2 81 - 2 - HB2 PRO 33 - HB2 GLN 111 lone 2 56 - 3 - HB3 GLN 62 - HB2 GLN 111 lone 1 60 - 2 - Peak 1375 from cnoeabs.peaks (1.94, 2.00, 27.30 ppm; 2.74 A): 3 out of 20 assignments used, quality = 1.00: * HB3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 1.8=100 HB3 GLU 122 + HG3 PRO 52 OK 48 99 - 49 - 4078=11, 1.8/4070=6...(24) HG2 PRO 52 - HB2 GLN 111 OK 44 95 - 46 - 1369=9, 2.3/1379=6...(18) HB3 PRO 98 - HG3 PRO 52 OK 42 68 - 62 - 2.3/1374=6, 2.3/1374=5...(42) HB3 PRO 52 - HB2 GLN 111 OK 41 96 - 43 - 1361=8, 1.8/1353=6...(18) HG2 PRO 12 - HG3 PRO 52 OK 28 81 - 35 - ~103=3, ~79=2, ~87=2...(15) HB2 ARG 89 - HG3 PRO 52 OK 24 99 - 24 - 2864/2.3=3, 1.8/3620=3...(13) HG3 PRO 12 - HG3 PRO 52 OK 24 68 - 36 - 103/1.8=3, ~79=2, ~87=2...(21) HB2 GLN 62 - HG3 PRO 52 OK 18 81 - 22 - 1759/2.3=2, 1.8/1374=2...(12) HB2 ARG 140 - HB2 GLN 111 OK 15 78 - 19 - 10374/2.9=3, 1.8/3620=2...(7) HB2 ARG 89 - HB2 GLN 111 OK 11 93 - 11 - 2861/1.8=1, 1.8/3620=1 HB3 LEU 132 - HG3 PRO 52 lone 5 72 - 6 - 3.2/9577=1 HB3 GLU 122 - HB2 GLN 111 lone 4 93 - 4 - HB2 ARG 140 - HG3 PRO 52 lone 4 85 - 5 - HB2 GLN 62 - HB2 GLN 111 lone 2 74 - 3 - HG2 PRO 12 - HB2 GLN 111 lone 2 74 - 3 - HG3 PRO 12 - HB2 GLN 111 lone 2 60 - 3 - HB3 LEU 132 - HB2 GLN 111 lone 1 65 - 2 - HB3 PRO 98 - HB2 GLN 111 lone 1 60 - 1 - Peak 1376 from cnoeabs.peaks (1.94, 2.00, 27.30 ppm; 2.74 A): 3 out of 20 assignments used, quality = 1.00: * HG2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 1.8=100 HB3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 GLU 122 + HG3 PRO 52 OK 48 100 - 49 - 4078=11, 1.8/4070=6...(24) HB3 PRO 98 - HG3 PRO 52 OK 45 72 - 62 - 2.3/1374=6, 2.3/1374=5...(42) HG2 PRO 52 - HB2 GLN 111 OK 44 96 - 46 - 1369=9, 2.3/1379=6...(18) HB3 PRO 52 - HB2 GLN 111 OK 41 95 - 43 - 1361=8, 1.8/1353=6...(18) HG2 PRO 12 - HG3 PRO 52 OK 27 77 - 35 - ~103=3, ~79=2, ~87=2...(15) HB2 ARG 89 - HG3 PRO 52 OK 24 98 - 24 - 2864/2.3=3, 1.8/3620=3...(13) HG3 PRO 12 - HG3 PRO 52 OK 22 62 - 36 - 103/1.8=3, ~79=2, ~87=2...(21) HB2 GLN 62 - HG3 PRO 52 OK 17 77 - 22 - 1759/2.3=2, 1.8/1374=2...(12) HB2 ARG 140 - HB2 GLN 111 OK 14 74 - 19 - 10374/2.9=3, 1.8/3620=2...(7) HB2 ARG 89 - HB2 GLN 111 OK 10 91 - 11 - 2861/1.8=1, 1.8/3620=1 HB3 LEU 132 - HG3 PRO 52 lone 4 68 - 6 - 3.2/9577=1 HB3 GLU 122 - HB2 GLN 111 lone 4 94 - 4 - HB2 ARG 140 - HG3 PRO 52 lone 4 81 - 5 - HB2 GLN 62 - HB2 GLN 111 lone 2 69 - 3 - HG2 PRO 12 - HB2 GLN 111 lone 2 69 - 3 - HG3 PRO 12 - HB2 GLN 111 lone 2 56 - 3 - HB3 PRO 98 - HB2 GLN 111 lone 1 65 - 2 - HB3 LEU 132 - HB2 GLN 111 lone 1 60 - 2 - Peak 1377 from cnoeabs.peaks (2.00, 2.00, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 HB2 GLN 111 + HB2 GLN 111 OK 93 93 - 100 Peak 1378 from cnoeabs.peaks (3.26, 2.00, 27.30 ppm; 4.37 A): 3 out of 6 assignments used, quality = 1.00: * HD2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HD2 PRO 52 + HB2 GLN 111 OK 74 96 - 78 - 1.8/1379=17, 1329=11...(25) HB2 TYR 112 + HG3 PRO 52 OK 54 100 - 55 - 1338/2.3=10, 1370/1.8=10...(15) HD2 ARG 89 - HG3 PRO 52 OK 43 92 - 47 - 1370/1.8=10, 1338/2.3=8...(16) HB2 TYR 112 - HB2 GLN 111 OK 23 94 - 25 - 7366/4.6=18, 4.7/7388=3 HD2 ARG 89 - HB2 GLN 111 OK 17 84 - 20 - 7366/4.6=2, ~11485=2...(12) Peak 1379 from cnoeabs.peaks (3.54, 2.00, 27.30 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HD3 PRO 52 + HB2 GLN 111 OK 68 96 - 71 - 1.8/1378=11, 1337=11...(23) Peak 1381 from cnoeabs.peaks (8.69, 4.08, 62.40 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.0=100 H THR 92 - HA VAL 53 OK 32 72 - 45 - 1396/3.2=7, 3.5/7049=6...(15) H ASN 130 - HA VAL 53 OK 26 98 - 26 - 1396/3.2=5, 1391/3.2=5...(9) Peak 1382 from cnoeabs.peaks (4.08, 4.08, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 53 + HA VAL 53 OK 100 100 - 100 Peak 1383 from cnoeabs.peaks (2.10, 4.08, 62.40 ppm; 4.33 A): 5 out of 8 assignments used, quality = 1.00: * HB VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.0=100 HG2 PRO 118 + HA VAL 53 OK 55 81 - 68 - 1398/3.2=6, 1393/3.2=6...(32) HG2 PRO 33 + HA VAL 53 OK 52 100 - 53 - 6499/3.0=6, 1398/3.2=5...(25) HB3 GLN 25 + HA VAL 53 OK 47 100 - 47 - 10587/3.2=6, 2.9/9843=5...(18) HG3 PRO 33 + HA VAL 53 OK 45 89 - 51 - ~6491=5, 6499/3.0=5...(25) HB3 LYS 36 - HA VAL 53 OK 15 94 - 16 - 10971/9810=5, 3.9/9832=2...(4) HB2 GLU 131 - HA VAL 53 OK 13 81 - 16 - 4.6/7665=4, 10291/3.2=2...(5) HB3 GLU 142 - HA VAL 53 lone 4 100 - 4 - Peak 1384 from cnoeabs.peaks (0.91, 4.08, 62.40 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.2=100 QG1 VAL 63 - HA VAL 53 OK 44 100 - 44 - 1384=9, 1399/3.2=7...(12) QD2 LEU 29 - HA VAL 53 OK 36 89 - 41 - 4.0/9840=9, 10537=6...(12) QG2 VAL 80 - HA VAL 53 poor 9 77 - 12 - 9600/4511=1, 1389/3.0=1 HB2 LEU 64 - HA VAL 53 lone 5 72 - 6 - 9356/9832=1 Peak 1385 from cnoeabs.peaks (1.05, 4.08, 62.40 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.2=100 HG13 ILE 91 + HA VAL 53 OK 52 96 - 54 - 1390/3.0=8, 1395/3.2=8...(21) HG3 LYS 114 - HA VAL 53 OK 32 100 - 32 - 1395/3.2=5, 1390/3.0=5...(12) Peak 1386 from cnoeabs.peaks (8.69, 2.10, 30.41 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 53 + HB VAL 53 OK 100 100 - 100 - 3.9=100 H ASN 130 - HB VAL 53 OK 27 98 - 27 - 1391/2.1=7, 1396/2.1=7...(6) H THR 92 - HB VAL 53 OK 26 72 - 36 - 1396/2.1=10, 1381/3.0=7...(8) Peak 1387 from cnoeabs.peaks (4.08, 2.10, 30.41 ppm; 4.29 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 53 + HB VAL 53 OK 100 100 - 100 - 3.0=100 HA LEU 132 - HB VAL 53 OK 45 100 - 45 - 11616/2.1=10, 1397/2.1=6...(14) HD3 PRO 118 - HB VAL 53 OK 39 62 - 62 - ~8245=7, 1397/2.1=5...(30) HA LYS 34 - HB VAL 53 OK 34 96 - 35 - 10581=14, 1397/2.1=5...(9) HA LEU 26 - HB VAL 53 OK 30 89 - 34 - ~8239=8, 10865/2.1=5...(11) HD3 PRO 33 - HB VAL 53 OK 29 68 - 43 - 1397/2.1=4, 1392/2.1=4...(20) HA GLU 90 - HB VAL 53 OK 22 100 - 22 - 1397/2.1=4, 1392/2.1=3...(10) Peak 1388 from cnoeabs.peaks (2.10, 2.10, 30.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 53 + HB VAL 53 OK 100 100 - 100 Peak 1389 from cnoeabs.peaks (0.91, 2.10, 30.41 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 53 + HB VAL 53 OK 100 100 - 100 - 2.1=100 QG1 VAL 63 + HB VAL 53 OK 46 100 - 46 - 2.1/9867=10, 1399/2.1=9...(15) QD2 LEU 29 - HB VAL 53 OK 28 89 - 31 - 1399/2.1=5, 1384/3.0=5...(13) QG2 VAL 80 - HB VAL 53 poor 9 77 - 12 - 4.4/10627=5, 1399/2.1=1 HB2 LEU 64 - HB VAL 53 lone 3 72 - 5 - Peak 1390 from cnoeabs.peaks (1.05, 2.10, 30.41 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 53 + HB VAL 53 OK 100 100 - 100 - 2.1=100 HG13 ILE 91 + HB VAL 53 OK 46 96 - 48 - 1395/2.1=9, 1385/3.0=7...(16) HG3 LYS 114 - HB VAL 53 OK 27 100 - 27 - 1395/2.1=6, 1385/3.0=4...(8) Peak 1391 from cnoeabs.peaks (8.69, 0.91, 22.18 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 4.0=100 H THR 92 - QG1 VAL 53 OK 25 72 - 35 - 1396/2.1=9, 1381/3.2=6...(9) H ASN 130 - QG1 VAL 53 OK 24 98 - 25 - 1396/2.1=6, 1386/2.1=5...(8) Peak 1392 from cnoeabs.peaks (4.08, 0.91, 22.18 ppm; 3.25 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 3.2=100 HA LEU 132 - QG1 VAL 53 OK 41 100 - 41 - 11616=9, 2.8/9548=6...(17) HA LEU 26 - QG1 VAL 53 OK 29 89 - 33 - 2.9/8239=8, 3.6/8239=6...(9) HD3 PRO 118 - QG1 VAL 53 OK 28 62 - 45 - 2.3/1393=5, 2.3/1393=4...(25) HA LYS 34 - QG1 VAL 53 OK 23 96 - 24 - 10581/2.1=8, 1392=4...(5) HD3 PRO 33 - QG1 VAL 53 OK 21 68 - 31 - 2.3/1393=4, 1392=4...(13) HA GLU 90 - QG1 VAL 53 OK 17 100 - 17 - 1392=3, 1397/2.1=3...(6) Peak 1393 from cnoeabs.peaks (2.10, 0.91, 22.18 ppm; 3.06 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 2.1=100 HG2 PRO 118 - QG1 VAL 53 OK 37 81 - 46 - 1398/2.1=5, 1.8/1393=4...(23) HB3 GLN 25 - QG1 VAL 53 OK 35 100 - 35 - 4.6/8239=4, 2.9/10585=4...(16) HG2 PRO 33 - QG1 VAL 53 OK 30 100 - 30 - 1398/2.1=4, 472/3.2=3...(10) HG3 PRO 33 - QG1 VAL 53 OK 25 89 - 28 - 1398/2.1=3, 2.3/1392=2...(11) HB2 GLU 131 - QG1 VAL 53 lone 8 81 - 9 - 4.6/9548=3, 1.8/9558=1 HB3 LYS 36 - QG1 VAL 53 lone 6 94 - 7 - HB3 GLU 142 - QG1 VAL 53 lone 2 100 - 2 - Peak 1394 from cnoeabs.peaks (0.91, 0.91, 22.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 53 + QG1 VAL 53 OK 100 100 - 100 Peak 1395 from cnoeabs.peaks (1.05, 0.91, 22.18 ppm; 2.69 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 2.1=100 HG13 ILE 91 - QG1 VAL 53 OK 34 96 - 35 - 1390/2.1=5, 2981=4...(15) HG3 LYS 114 - QG1 VAL 53 OK 21 100 - 21 - 10265/8237=4, 1390/2.1=3...(10) Peak 1396 from cnoeabs.peaks (8.69, 1.05, 21.00 ppm; 3.57 A): 3 out of 3 assignments used, quality = 0.84: * H VAL 53 + QG2 VAL 53 OK 74 100 - 74 - 4.1=68, 3.0/1397=14 H THR 92 + QG2 VAL 53 OK 26 72 - 35 - 3.5/7058=5, 1391/2.1=5...(11) H ASN 130 + QG2 VAL 53 OK 17 98 - 17 - 1391/2.1=5, 1386/2.1=4...(7) Peak 1397 from cnoeabs.peaks (4.08, 1.05, 21.00 ppm; 2.93 A): 4 out of 7 assignments used, quality = 0.92: * HA VAL 53 + QG2 VAL 53 OK 82 100 - 82 - 3.2=77, 3.0/1396=12...(5) HA LEU 132 + QG2 VAL 53 OK 25 100 - 26 - 11616/2.1=6, 1397=6...(8) HD3 PRO 118 + QG2 VAL 53 OK 23 62 - 36 - 3.0/8245=6, 2.3/1398=4...(17) HA LYS 34 + QG2 VAL 53 OK 19 96 - 20 - 10581/2.1=6, 1397=4...(4) HD3 PRO 33 - QG2 VAL 53 OK 18 68 - 27 - 1397=4, 2.3/1398=3...(10) HA LEU 26 - QG2 VAL 53 OK 16 89 - 18 - ~8239=3, 10865/2.1=3...(6) HA GLU 90 - QG2 VAL 53 OK 16 100 - 16 - 1397=4, 3.6/7058=3...(6) Peak 1398 from cnoeabs.peaks (2.10, 1.05, 21.00 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 53 + QG2 VAL 53 OK 100 100 - 100 - 2.1=100 HG2 PRO 118 - QG2 VAL 53 OK 41 81 - 50 - 2.3/8245=9, 2.3/1397=5...(27) HG2 PRO 33 - QG2 VAL 53 OK 33 100 - 33 - 1393/2.1=4, 2.3/1397=3...(13) HB3 GLN 25 - QG2 VAL 53 OK 31 100 - 31 - 2.9/8245=8, 1393/2.1=5...(14) HG3 PRO 33 - QG2 VAL 53 OK 28 89 - 31 - 1393/2.1=4, 2.3/1397=3...(13) HB3 LYS 36 - QG2 VAL 53 lone 8 94 - 8 - 10971/8044=1, 10784/8236=1 HB2 GLU 131 - QG2 VAL 53 lone 6 81 - 7 - 10291/2.1=1, ~9558=1 HB3 GLU 142 - QG2 VAL 53 lone 2 100 - 2 - Peak 1399 from cnoeabs.peaks (0.91, 1.05, 21.00 ppm; 2.79 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 53 + QG2 VAL 53 OK 100 100 - 100 - 2.1=100 QG1 VAL 63 - QG2 VAL 53 OK 37 100 - 37 - 1399=9, 9872/2.1=5...(12) QD2 LEU 29 - QG2 VAL 53 OK 22 89 - 25 - 1389/2.1=3, 1384/3.2=3...(13) QG2 VAL 80 - QG2 VAL 53 lone 5 77 - 7 - 1389/2.1=1 HB2 LEU 64 - QG2 VAL 53 lone 3 72 - 5 - 9356/9808=1 Peak 1400 from cnoeabs.peaks (1.05, 1.05, 21.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 53 + QG2 VAL 53 OK 100 100 - 100 Peak 1401 from cnoeabs.peaks (4.69, 4.69, 55.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HA ARG 55 OK 100 100 - 100 Peak 1402 from cnoeabs.peaks (1.77, 4.69, 55.01 ppm; 3.59 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 2.9=100 HG LEU 39 - HA ARG 55 OK 17 100 - 17 - 1402=4, 10616/3.0=2...(7) HB3 MET 59 - HA ARG 55 lone 9 100 - 9 - 1402=3, 6508/3.6=1 HG LEU 72 - HA ARG 55 lone 8 85 - 9 - 1402=2, 10616/3.0=1 HG2 PRO 57 - HA ARG 55 lone 5 89 - 5 - 6508/3.6=2 HB3 ARG 35 - HA ARG 55 lone 3 94 - 3 - HB2 PRO 12 - HA ARG 55 lone 1 62 - 2 - 6508/3.6=1 Peak 1403 from cnoeabs.peaks (1.54, 4.69, 55.01 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 55 + HA ARG 55 OK 97 100 - 97 - 3.9=80, 1.8/1422=19...(25) HG3 ARG 55 + HA ARG 55 OK 97 100 - 97 - 3.9=80, 1.8/1415=19...(25) HB3 LEU 79 - HA ARG 55 lone 4 96 - 4 - 1411/2.9=2 HD2 LYS 76 - HA ARG 55 lone 2 72 - 3 - Peak 1404 from cnoeabs.peaks (1.54, 4.69, 55.01 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 55 + HA ARG 55 OK 97 100 - 97 - 3.9=80, 1.8/1415=19...(25) HG2 ARG 55 + HA ARG 55 OK 97 100 - 97 - 3.9=80, 1.8/1422=19...(25) HB3 LEU 79 - HA ARG 55 lone 4 99 - 4 - 1411/2.9=2 HD2 LYS 76 - HA ARG 55 lone 2 62 - 3 - Peak 1405 from cnoeabs.peaks (3.18, 4.69, 55.01 ppm; 3.19 A): 2 out of 5 assignments used, quality = 0.94: * HD2 ARG 55 + HA ARG 55 OK 77 100 - 77 - 5.3=22, 3.0/1422=11...(23) HD3 ARG 55 + HA ARG 55 OK 74 96 - 77 - 5.3=22, 3.0/1422=11...(23) HD2 ARG 144 - HA ARG 55 OK 14 100 - 14 - 1412/2.9=2, 1429=2...(6) HD3 ARG 144 - HA ARG 55 OK 11 92 - 12 - 1.8/1429=2, 1436=2...(5) HA VAL 73 - HA ARG 55 lone 4 89 - 4 - ~11456=2 Peak 1406 from cnoeabs.peaks (3.19, 4.69, 55.01 ppm; 3.19 A): 2 out of 6 assignments used, quality = 0.94: * HD3 ARG 55 + HA ARG 55 OK 77 100 - 77 - 5.3=22, 3.0/1422=11...(23) HD2 ARG 55 + HA ARG 55 OK 74 96 - 77 - 5.3=22, 3.0/1422=11...(23) HD2 ARG 144 - HA ARG 55 OK 13 100 - 13 - 1413/2.9=2, 1436=2...(6) HD3 ARG 144 - HA ARG 55 OK 13 100 - 12 - 1413/2.9=2, 1.8/1429=2...(5) HA VAL 73 - HA ARG 55 lone 5 100 - 5 - ~11456=2 HD2 ARG 141 - HA ARG 55 lone 1 62 - 2 - Peak 1407 from cnoeabs.peaks (8.66, 4.69, 55.01 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + HA ARG 55 OK 100 100 - 100 - 3.6=100 H THR 92 - HA ARG 55 lone 2 68 - 3 - 1414/2.9=1 Peak 1408 from cnoeabs.peaks (4.69, 1.77, 32.59 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB3 ARG 55 OK 100 100 - 100 - 2.9=100 Peak 1409 from cnoeabs.peaks (1.77, 1.77, 32.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 Peak 1410 from cnoeabs.peaks (1.54, 1.77, 32.59 ppm; 2.68 A): 2 out of 4 assignments used, quality = 0.99: * HG2 ARG 55 + HB3 ARG 55 OK 91 100 - 91 - 3.0=73, 1.8/1423=15...(28) HG3 ARG 55 + HB3 ARG 55 OK 90 100 - 91 - 3.0=73, 1.8/1416=15...(28) HB3 LEU 79 - HB3 ARG 55 lone 8 96 - 8 - ~2368=1 HD2 LYS 76 - HB3 ARG 55 lone 4 72 - 5 - ~9861=4 Peak 1411 from cnoeabs.peaks (1.54, 1.77, 32.59 ppm; 2.68 A): 2 out of 4 assignments used, quality = 0.99: * HG3 ARG 55 + HB3 ARG 55 OK 91 100 - 91 - 3.0=73, 1.8/1416=15...(28) HG2 ARG 55 + HB3 ARG 55 OK 90 100 - 91 - 3.0=73, 1.8/1423=15...(28) HB3 LEU 79 - HB3 ARG 55 lone 8 99 - 8 - ~2368=1 HD2 LYS 76 - HB3 ARG 55 lone 3 62 - 5 - ~9861=4 Peak 1412 from cnoeabs.peaks (3.18, 1.77, 32.59 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 55 + HB3 ARG 55 OK 96 100 - 96 - 3.9=74, 3.0/1411=17...(30) HD3 ARG 55 + HB3 ARG 55 OK 93 96 - 96 - 3.9=74, 1.8/1430=17...(30) HD2 ARG 144 - HB3 ARG 55 OK 23 100 - 23 - 1430=3, 1.8/1437=3...(9) HD3 ARG 144 - HB3 ARG 55 OK 20 92 - 22 - 1437=3, 1.8/1430=3...(10) HA VAL 73 - HB3 ARG 55 lone 4 89 - 5 - 3.0/6761=1 Peak 1413 from cnoeabs.peaks (3.19, 1.77, 32.59 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 55 + HB3 ARG 55 OK 96 100 - 96 - 3.9=74, 1.8/1430=17...(30) HD2 ARG 55 + HB3 ARG 55 OK 93 96 - 96 - 3.9=74, 3.0/1411=17...(30) HD2 ARG 144 - HB3 ARG 55 OK 23 100 - 23 - 1437=3, 1.8/1437=3...(9) HD3 ARG 144 - HB3 ARG 55 OK 22 100 - 22 - 1437=3, 1.8/1430=3...(10) HA VAL 73 - HB3 ARG 55 lone 5 100 - 5 - 3.0/6761=1 HD2 ARG 141 - HB3 ARG 55 lone 2 62 - 4 - Peak 1414 from cnoeabs.peaks (8.66, 1.77, 32.59 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.79: * H ILE 56 + HB3 ARG 55 OK 79 100 - 79 - 4.4=71, 10610/3.0=13...(4) H THR 92 - HB3 ARG 55 lone 4 68 - 6 - 10613/4.0=1, 4.3/8972=1 Peak 1415 from cnoeabs.peaks (4.69, 1.54, 26.43 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 55 + HG2 ARG 55 OK 96 100 - 96 - 3.9=73, 1404/1.8=17...(25) HA ARG 55 + HG3 ARG 55 OK 95 99 - 96 - 3.9=73, 1403/1.8=17...(25) Peak 1416 from cnoeabs.peaks (1.77, 1.54, 26.43 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.97: * HB3 ARG 55 + HG2 ARG 55 OK 83 100 - 84 - 3.0=60, 1411/1.8=13...(24) HB3 ARG 55 + HG3 ARG 55 OK 83 99 - 83 - 3.0=60, 1411/1.8=13...(24) HG LEU 39 - HG2 ARG 55 lone 7 100 - 7 - 1402/3.9=1 HG LEU 39 - HG3 ARG 55 lone 7 99 - 7 - 1402/3.9=1 HB3 MET 59 - HG2 ARG 55 lone 3 100 - 3 - HB3 MET 59 - HG3 ARG 55 lone 3 99 - 3 - HG LEU 72 - HG2 ARG 55 lone 2 85 - 3 - HG LEU 72 - HG3 ARG 55 lone 2 83 - 3 - HG2 PRO 57 - HG2 ARG 55 lone 1 89 - 2 - HG2 PRO 57 - HG3 ARG 55 lone 1 87 - 1 - HB3 ARG 35 - HG2 ARG 55 lone 1 94 - 1 - HB3 ARG 35 - HG3 ARG 55 lone 1 93 - 1 - HB2 PRO 12 - HG2 ARG 55 lone 0 62 - 0 - HB2 PRO 12 - HG3 ARG 55 lone 0 61 - 0 - Peak 1417 from cnoeabs.peaks (1.54, 1.54, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 HG3 ARG 55 + HG3 ARG 55 OK 99 99 - 100 Peak 1418 from cnoeabs.peaks (1.54, 1.54, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 HG3 ARG 55 + HG3 ARG 55 OK 99 99 - 100 Reference assignment not found: HG3 ARG 55 - HG2 ARG 55 Peak 1419 from cnoeabs.peaks (3.18, 1.54, 26.43 ppm; 2.90 A): 4 out of 10 assignments used, quality = 1.00: * HD2 ARG 55 + HG2 ARG 55 OK 97 100 - 97 - 3.0=91, 1430/3.0=9...(30) HD2 ARG 55 + HG3 ARG 55 OK 97 99 - 97 - 3.0=91, 1430/3.0=9...(30) HD3 ARG 55 + HG2 ARG 55 OK 94 96 - 97 - 3.0=91, 1.8/1431=8...(30) HD3 ARG 55 + HG3 ARG 55 OK 92 95 - 97 - 3.0=91, 1.8/1432=8...(30) HD2 ARG 144 - HG2 ARG 55 OK 20 100 - 20 - 1431=2, 1412/3.0=2...(5) HD2 ARG 144 - HG3 ARG 55 OK 20 99 - 20 - 1432=2, 1412/3.0=2...(5) HD3 ARG 144 - HG2 ARG 55 OK 18 92 - 19 - 1438=2, 1412/3.0=2...(4) HD3 ARG 144 - HG3 ARG 55 OK 17 90 - 19 - 1439=2, 1412/3.0=2...(4) HA VAL 73 - HG2 ARG 55 lone 6 89 - 7 - HA VAL 73 - HG3 ARG 55 lone 6 87 - 7 - Peak 1420 from cnoeabs.peaks (3.19, 1.54, 26.43 ppm; 2.90 A): 4 out of 12 assignments used, quality = 1.00: * HD3 ARG 55 + HG2 ARG 55 OK 97 100 - 97 - 3.0=91, 1437/3.0=8...(30) HD3 ARG 55 + HG3 ARG 55 OK 97 99 - 97 - 3.0=91, 1437/3.0=8...(30) HD2 ARG 55 + HG2 ARG 55 OK 94 96 - 97 - 3.0=91, 1.8/1438=8...(30) HD2 ARG 55 + HG3 ARG 55 OK 92 95 - 97 - 3.0=91, 1.8/1439=8...(30) HD2 ARG 144 - HG2 ARG 55 OK 20 100 - 20 - 1438=2, 1413/3.0=2...(5) HD2 ARG 144 - HG3 ARG 55 OK 20 99 - 20 - 1439=2, 1413/3.0=2...(5) HD3 ARG 144 - HG2 ARG 55 OK 19 100 - 19 - 1438=2, 1413/3.0=2...(5) HD3 ARG 144 - HG3 ARG 55 OK 19 99 - 19 - 1439=2, 1413/3.0=2...(5) HA VAL 73 - HG2 ARG 55 lone 7 100 - 7 - HA VAL 73 - HG3 ARG 55 lone 7 99 - 7 - HD2 ARG 141 - HG2 ARG 55 lone 3 62 - 4 - HD2 ARG 141 - HG3 ARG 55 lone 3 61 - 4 - Peak 1422 from cnoeabs.peaks (4.69, 1.54, 26.43 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 55 + HG3 ARG 55 OK 96 100 - 96 - 3.9=73, 1403/1.8=17...(25) HA ARG 55 + HG2 ARG 55 OK 95 99 - 96 - 3.9=73, 1404/1.8=17...(25) Peak 1423 from cnoeabs.peaks (1.77, 1.54, 26.43 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.97: * HB3 ARG 55 + HG3 ARG 55 OK 83 100 - 84 - 3.0=60, 1411/1.8=13...(24) HB3 ARG 55 + HG2 ARG 55 OK 83 99 - 84 - 3.0=60, 1411/1.8=13...(24) HG LEU 39 - HG2 ARG 55 lone 7 99 - 7 - 1402/3.9=1 HG LEU 39 - HG3 ARG 55 lone 7 100 - 7 - 1402/3.9=1 HB3 MET 59 - HG3 ARG 55 lone 3 100 - 3 - HB3 MET 59 - HG2 ARG 55 lone 3 99 - 3 - HG LEU 72 - HG3 ARG 55 lone 2 85 - 3 - HG LEU 72 - HG2 ARG 55 lone 2 83 - 3 - HG2 PRO 57 - HG3 ARG 55 lone 1 89 - 1 - HG2 PRO 57 - HG2 ARG 55 lone 1 87 - 2 - HB3 ARG 35 - HG3 ARG 55 lone 1 94 - 1 - HB3 ARG 35 - HG2 ARG 55 lone 1 93 - 1 - HB2 PRO 12 - HG3 ARG 55 lone 0 62 - 0 - HB2 PRO 12 - HG2 ARG 55 lone 0 61 - 0 - Peak 1424 from cnoeabs.peaks (1.54, 1.54, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 HG2 ARG 55 + HG2 ARG 55 OK 99 99 - 100 Reference assignment not found: HG2 ARG 55 - HG3 ARG 55 Peak 1425 from cnoeabs.peaks (1.54, 1.54, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 HG2 ARG 55 + HG2 ARG 55 OK 99 99 - 100 Peak 1426 from cnoeabs.peaks (3.18, 1.54, 26.43 ppm; 2.90 A): 4 out of 10 assignments used, quality = 1.00: * HD2 ARG 55 + HG3 ARG 55 OK 97 100 - 97 - 3.0=91, 1430/3.0=9...(30) HD2 ARG 55 + HG2 ARG 55 OK 97 99 - 97 - 3.0=91, 1430/3.0=9...(30) HD3 ARG 55 + HG3 ARG 55 OK 94 96 - 97 - 3.0=91, 1.8/1432=8...(30) HD3 ARG 55 + HG2 ARG 55 OK 92 95 - 97 - 3.0=91, 1.8/1431=8...(30) HD2 ARG 144 - HG3 ARG 55 OK 20 100 - 20 - 1432=2, 1412/3.0=2...(5) HD2 ARG 144 - HG2 ARG 55 OK 20 99 - 20 - 1431=2, 1412/3.0=2...(5) HD3 ARG 144 - HG3 ARG 55 OK 18 92 - 19 - 1439=2, 1412/3.0=2...(4) HD3 ARG 144 - HG2 ARG 55 OK 17 90 - 19 - 1438=2, 1412/3.0=2...(4) HA VAL 73 - HG3 ARG 55 lone 6 89 - 7 - HA VAL 73 - HG2 ARG 55 lone 6 87 - 7 - Peak 1427 from cnoeabs.peaks (3.19, 1.54, 26.43 ppm; 2.90 A): 4 out of 12 assignments used, quality = 1.00: * HD3 ARG 55 + HG3 ARG 55 OK 97 100 - 97 - 3.0=91, 1437/3.0=8...(30) HD3 ARG 55 + HG2 ARG 55 OK 97 99 - 97 - 3.0=91, 1437/3.0=8...(30) HD2 ARG 55 + HG3 ARG 55 OK 94 96 - 97 - 3.0=91, 1.8/1439=8...(30) HD2 ARG 55 + HG2 ARG 55 OK 92 95 - 97 - 3.0=91, 1.8/1438=8...(30) HD2 ARG 144 - HG3 ARG 55 OK 20 100 - 20 - 1439=2, 1413/3.0=2...(5) HD2 ARG 144 - HG2 ARG 55 OK 20 99 - 20 - 1438=2, 1413/3.0=2...(5) HD3 ARG 144 - HG3 ARG 55 OK 19 100 - 19 - 1439=2, 1413/3.0=2...(5) HD3 ARG 144 - HG2 ARG 55 OK 19 99 - 19 - 1438=2, 1413/3.0=2...(5) HA VAL 73 - HG3 ARG 55 lone 7 100 - 7 - HA VAL 73 - HG2 ARG 55 lone 7 99 - 7 - HD2 ARG 141 - HG3 ARG 55 lone 3 62 - 4 - HD2 ARG 141 - HG2 ARG 55 lone 3 61 - 4 - Peak 1429 from cnoeabs.peaks (4.69, 3.18, 43.14 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 55 + HD2 ARG 55 OK 93 100 - 93 - 5.3=44, 1406/1.8=20...(23) HA ARG 55 + HD3 ARG 55 OK 81 87 - 93 - 5.3=44, 1405/1.8=20...(23) HA ARG 55 - HD2 ARG 144 OK 17 80 - 21 - 1405=4, 2.9/1412=3...(10) HA ARG 55 - HD3 ARG 144 OK 11 55 - 19 - 1405/1.8=4, 1406=3...(10) Peak 1430 from cnoeabs.peaks (1.77, 3.18, 43.14 ppm; 2.97 A): 2 out of 28 assignments used, quality = 0.95: * HB3 ARG 55 + HD2 ARG 55 OK 83 100 - 83 - 3.9=42, 1411/3.0=12...(30) HB3 ARG 55 + HD3 ARG 55 OK 72 87 - 83 - 3.9=42, 1411/3.0=12...(30) HB3 ARG 55 - HD2 ARG 144 OK 14 80 - 17 - 1412=3, 1413/1.8=2...(5) HG LEU 39 - HD2 ARG 55 OK 11 100 - 11 - 846/1.8=2, 2.1/862=2...(6) HG LEU 39 - HD3 ARG 55 poor 9 86 - 11 - 846/1.8=2, 2.1/862=1...(5) HB3 ARG 55 - HD3 ARG 144 poor 9 55 - 16 - 1413=3, 1412/1.8=2, 2.9/1406=1 HG LEU 72 - HD2 ARG 55 lone 3 85 - 3 - HG LEU 72 - HD3 ARG 55 lone 3 68 - 4 - HB3 MET 59 - HD2 ARG 55 lone 2 100 - 2 - HB3 MET 59 - HD3 ARG 55 lone 2 85 - 2 - HG2 PRO 57 - HD2 ARG 55 lone 1 89 - 1 - HB3 ARG 35 - HD2 ARG 55 lone 1 94 - 1 - HG LEU 72 - HD2 ARG 144 lone 1 62 - 2 - HG2 PRO 57 - HD3 ARG 55 lone 1 72 - 1 - HB3 ARG 35 - HD3 ARG 55 lone 1 78 - 1 - HG LEU 39 - HD2 ARG 144 lone 1 79 - 1 - HG LEU 72 - HD3 ARG 144 lone 1 41 - 2 - HG LEU 39 - HD3 ARG 144 lone 0 55 - 1 - HB3 MET 59 - HD2 ARG 144 lone 0 78 - 0 - HG2 PRO 57 - HD2 ARG 144 lone 0 65 - 0 - HB3 MET 59 - HD3 ARG 144 lone 0 54 - 0 - HB2 PRO 12 - HD2 ARG 55 lone 0 62 - 0 - HG2 PRO 57 - HD3 ARG 144 lone 0 43 - 0 - HB3 ARG 35 - HD2 ARG 144 lone 0 71 - 0 - HB2 PRO 12 - HD3 ARG 55 lone 0 48 - 0 - HB3 ARG 35 - HD3 ARG 144 lone 0 48 - 0 - HB2 PRO 12 - HD2 ARG 144 lone 0 43 - 0 - HB2 PRO 12 - HD3 ARG 144 lone 0 28 - 0 - Peak 1431 from cnoeabs.peaks (1.54, 3.18, 43.14 ppm; 2.91 A): 4 out of 16 assignments used, quality = 1.00: * HG2 ARG 55 + HD2 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1430=9...(26) HG3 ARG 55 + HD2 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1430=9...(26) HG2 ARG 55 + HD3 ARG 55 OK 84 87 - 97 - 3.0=92, 1410/3.9=8...(26) HG3 ARG 55 + HD3 ARG 55 OK 84 86 - 97 - 3.0=92, 1410/3.9=8...(26) HG2 ARG 55 - HD2 ARG 144 OK 18 80 - 23 - 1419=2, 3.0/1412=2...(5) HG3 ARG 55 - HD2 ARG 144 OK 18 79 - 23 - 1426=2, 3.0/1412=2...(5) HG2 ARG 55 - HD3 ARG 144 OK 11 55 - 21 - 1420=2, 3.0/1413=2...(4) HG3 ARG 55 - HD3 ARG 144 OK 11 55 - 21 - 1427=2, 3.0/1413=2...(4) HB3 LEU 79 - HD2 ARG 55 OK 11 96 - 11 - ~2368=2, ~2368=1, ~2358=1 HB3 LEU 79 - HD3 ARG 55 poor 9 80 - 11 - ~2368=2, ~2368=1, ~2358=1 HD2 LYS 76 - HD2 ARG 55 lone 6 72 - 8 - ~9861=4 HD2 LYS 76 - HD3 ARG 55 lone 5 56 - 8 - ~9861=4 HB3 LEU 79 - HD2 ARG 144 lone 2 73 - 3 - HB3 LEU 79 - HD3 ARG 144 lone 1 50 - 3 - HD2 LYS 76 - HD2 ARG 144 lone 1 51 - 2 - HD2 LYS 76 - HD3 ARG 144 lone 1 33 - 2 - Peak 1432 from cnoeabs.peaks (1.54, 3.18, 43.14 ppm; 2.91 A): 4 out of 16 assignments used, quality = 1.00: * HG3 ARG 55 + HD2 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1430=9...(26) HG2 ARG 55 + HD2 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1430=9...(26) HG3 ARG 55 + HD3 ARG 55 OK 84 87 - 97 - 3.0=92, 1411/3.9=8...(26) HG2 ARG 55 + HD3 ARG 55 OK 84 86 - 97 - 3.0=92, 1411/3.9=8...(26) HG3 ARG 55 - HD2 ARG 144 OK 18 80 - 23 - 1426=2, 3.0/1412=2...(5) HG2 ARG 55 - HD2 ARG 144 OK 18 79 - 23 - 1419=2, 3.0/1412=2...(5) HG3 ARG 55 - HD3 ARG 144 OK 11 55 - 21 - 1427=2, 3.0/1413=2...(4) HG2 ARG 55 - HD3 ARG 144 OK 11 55 - 21 - 1420=2, 3.0/1413=2...(4) HB3 LEU 79 - HD2 ARG 55 OK 11 99 - 11 - ~2368=2, ~2368=1, ~2358=1 HB3 LEU 79 - HD3 ARG 55 poor 9 84 - 11 - ~2368=2, ~2368=1, ~2358=1 HD2 LYS 76 - HD2 ARG 55 lone 5 62 - 8 - ~9861=4 HD2 LYS 76 - HD3 ARG 55 lone 4 48 - 8 - ~9861=4 HB3 LEU 79 - HD2 ARG 144 lone 2 77 - 3 - HB3 LEU 79 - HD3 ARG 144 lone 1 53 - 3 - HD2 LYS 76 - HD2 ARG 144 lone 1 43 - 2 - HD2 LYS 76 - HD3 ARG 144 lone 1 28 - 2 - Peak 1433 from cnoeabs.peaks (3.18, 3.18, 43.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 55 + HD2 ARG 55 OK 100 100 - 100 HD3 ARG 55 + HD3 ARG 55 OK 80 80 - 100 HD2 ARG 144 + HD2 ARG 144 OK 78 78 - 100 HD3 ARG 144 + HD3 ARG 144 OK 46 46 - 100 Peak 1434 from cnoeabs.peaks (3.19, 3.18, 43.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 55 + HD2 ARG 55 OK 96 96 - 100 HD3 ARG 55 + HD3 ARG 55 OK 87 87 - 100 HD2 ARG 144 + HD2 ARG 144 OK 78 78 - 100 HD3 ARG 144 + HD3 ARG 144 OK 55 55 - 100 Reference assignment not found: HD3 ARG 55 - HD2 ARG 55 Peak 1436 from cnoeabs.peaks (4.69, 3.19, 43.14 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 55 + HD3 ARG 55 OK 93 100 - 93 - 5.3=44, 1405/1.8=20...(23) HA ARG 55 + HD2 ARG 55 OK 81 87 - 93 - 5.3=44, 1406/1.8=20...(23) HA ARG 55 - HD2 ARG 144 OK 17 80 - 21 - 1406=4, 2.9/1413=3...(10) HA ARG 55 - HD3 ARG 144 OK 16 83 - 20 - 1405/1.8=4, 1406=3...(10) Peak 1437 from cnoeabs.peaks (1.77, 3.19, 43.14 ppm; 2.97 A): 2 out of 28 assignments used, quality = 0.95: * HB3 ARG 55 + HD3 ARG 55 OK 83 100 - 83 - 3.9=42, 1411/3.0=12...(30) HB3 ARG 55 + HD2 ARG 55 OK 72 87 - 83 - 3.9=42, 1411/3.0=12...(30) HB3 ARG 55 - HD2 ARG 144 OK 14 80 - 17 - 1413=3, 1413/1.8=2...(5) HB3 ARG 55 - HD3 ARG 144 OK 14 83 - 16 - 1413=3, 1412/1.8=2, 2.9/1406=2 HG LEU 39 - HD3 ARG 55 OK 11 100 - 11 - 846/1.8=2, 2.1/862=2...(6) HG LEU 39 - HD2 ARG 55 poor 9 86 - 11 - 846/1.8=2, 2.1/862=2...(5) HG LEU 72 - HD3 ARG 55 lone 3 85 - 4 - HG LEU 72 - HD2 ARG 55 lone 2 68 - 3 - HB3 MET 59 - HD3 ARG 55 lone 2 100 - 2 - HB3 MET 59 - HD2 ARG 55 lone 2 85 - 2 - HG2 PRO 57 - HD3 ARG 55 lone 1 89 - 1 - HG LEU 72 - HD3 ARG 144 lone 1 64 - 2 - HG LEU 72 - HD2 ARG 144 lone 1 62 - 2 - HB3 ARG 35 - HD3 ARG 55 lone 1 94 - 1 - HG2 PRO 57 - HD2 ARG 55 lone 1 72 - 1 - HG LEU 39 - HD2 ARG 144 lone 1 79 - 1 - HB3 ARG 35 - HD2 ARG 55 lone 1 78 - 1 - HG LEU 39 - HD3 ARG 144 lone 1 82 - 1 - HB3 MET 59 - HD3 ARG 144 lone 0 81 - 1 - HB3 MET 59 - HD2 ARG 144 lone 0 78 - 1 - HG2 PRO 57 - HD3 ARG 144 lone 0 67 - 0 - HG2 PRO 57 - HD2 ARG 144 lone 0 65 - 0 - HB3 ARG 35 - HD3 ARG 144 lone 0 73 - 0 - HB2 PRO 12 - HD3 ARG 55 lone 0 62 - 0 - HB3 ARG 35 - HD2 ARG 144 lone 0 71 - 0 - HB2 PRO 12 - HD2 ARG 55 lone 0 48 - 0 - HB2 PRO 12 - HD3 ARG 144 lone 0 45 - 0 - HB2 PRO 12 - HD2 ARG 144 lone 0 43 - 0 - Peak 1438 from cnoeabs.peaks (1.54, 3.19, 43.14 ppm; 2.91 A): 4 out of 16 assignments used, quality = 1.00: * HG2 ARG 55 + HD3 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1437=8...(26) HG3 ARG 55 + HD3 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1437=8...(26) HG2 ARG 55 + HD2 ARG 55 OK 84 87 - 97 - 3.0=92, 1410/3.9=8...(26) HG3 ARG 55 + HD2 ARG 55 OK 84 86 - 97 - 3.0=92, 1410/3.9=8...(26) HG2 ARG 55 - HD2 ARG 144 OK 18 80 - 23 - 1420=2, 3.0/1413=2...(5) HG3 ARG 55 - HD2 ARG 144 OK 18 79 - 23 - 1427=2, 3.0/1413=2...(5) HG2 ARG 55 - HD3 ARG 144 OK 17 83 - 21 - 1420=2, 3.0/1413=2...(5) HG3 ARG 55 - HD3 ARG 144 OK 17 82 - 21 - 1427=2, 3.0/1413=2...(5) HB3 LEU 79 - HD3 ARG 55 OK 11 96 - 11 - ~2368=2, ~2368=1, ~2358=1 HB3 LEU 79 - HD2 ARG 55 poor 9 80 - 11 - ~2368=2, ~2368=1, ~2358=1 HD2 LYS 76 - HD3 ARG 55 lone 6 72 - 9 - ~9861=4, 3.5/2249=1 HD2 LYS 76 - HD2 ARG 55 lone 5 56 - 8 - ~9861=4 HB3 LEU 79 - HD3 ARG 144 lone 2 76 - 3 - HB3 LEU 79 - HD2 ARG 144 lone 2 73 - 3 - HD2 LYS 76 - HD3 ARG 144 lone 1 53 - 2 - HD2 LYS 76 - HD2 ARG 144 lone 1 51 - 2 - Peak 1439 from cnoeabs.peaks (1.54, 3.19, 43.14 ppm; 2.91 A): 4 out of 16 assignments used, quality = 1.00: * HG3 ARG 55 + HD3 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1437=8...(26) HG2 ARG 55 + HD3 ARG 55 OK 97 100 - 97 - 3.0=92, 3.0/1437=8...(26) HG3 ARG 55 + HD2 ARG 55 OK 84 87 - 97 - 3.0=92, 1411/3.9=8...(26) HG2 ARG 55 + HD2 ARG 55 OK 84 86 - 97 - 3.0=92, 1411/3.9=8...(26) HG3 ARG 55 - HD2 ARG 144 OK 18 80 - 23 - 1427=2, 3.0/1413=2...(5) HG2 ARG 55 - HD2 ARG 144 OK 18 79 - 23 - 1420=2, 3.0/1413=2...(5) HG3 ARG 55 - HD3 ARG 144 OK 17 83 - 21 - 1427=2, 3.0/1413=2...(5) HG2 ARG 55 - HD3 ARG 144 OK 17 82 - 21 - 1420=2, 3.0/1413=2...(5) HB3 LEU 79 - HD3 ARG 55 OK 11 99 - 11 - ~2368=2, ~2368=1, ~2358=1 HB3 LEU 79 - HD2 ARG 55 poor 9 84 - 11 - ~2368=2, ~2368=1, ~2358=1 HD2 LYS 76 - HD3 ARG 55 lone 5 62 - 9 - ~9861=4, 3.5/2249=1 HD2 LYS 76 - HD2 ARG 55 lone 4 48 - 8 - ~9861=4 HB3 LEU 79 - HD3 ARG 144 lone 2 80 - 3 - HB3 LEU 79 - HD2 ARG 144 lone 2 77 - 3 - HD2 LYS 76 - HD3 ARG 144 lone 1 45 - 2 - HD2 LYS 76 - HD2 ARG 144 lone 1 43 - 2 - Peak 1440 from cnoeabs.peaks (3.18, 3.19, 43.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 55 + HD3 ARG 55 OK 96 96 - 100 HD2 ARG 55 + HD2 ARG 55 OK 87 87 - 100 HD2 ARG 144 + HD2 ARG 144 OK 78 78 - 100 HD3 ARG 144 + HD3 ARG 144 OK 71 71 - 100 Reference assignment not found: HD2 ARG 55 - HD3 ARG 55 Peak 1441 from cnoeabs.peaks (3.19, 3.19, 43.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 HD3 ARG 144 + HD3 ARG 144 OK 82 82 - 100 HD2 ARG 55 + HD2 ARG 55 OK 80 80 - 100 HD2 ARG 144 + HD2 ARG 144 OK 78 78 - 100 Peak 1444 from cnoeabs.peaks (4.31, 4.31, 56.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HA ILE 56 OK 100 100 - 100 Peak 1445 from cnoeabs.peaks (1.95, 4.31, 56.11 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HA ILE 56 OK 61 94 - 65 - ~9186=11, 1480/4.2=7...(19) HB3 PRO 98 + HA ILE 56 OK 59 99 - 59 - ~8304=8, ~9133=7...(19) HB2 LYS 61 - HA ILE 56 OK 39 100 - 38 - 8331/4.2=12, 6514/3.0=4...(11) HB2 LYS 34 - HA ILE 56 OK 35 92 - 38 - 9822/3.8=5, 9822/3.8=5...(15) HB3 GLU 122 - HA ILE 56 OK 11 68 - 17 - 9822/3.8=3, 9822/3.8=3...(5) Peak 1446 from cnoeabs.peaks (0.86, 4.31, 56.11 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HA ILE 56 OK 84 96 - 87 - 1481/4.2=15, ~11010=15...(20) QD1 LEU 97 - HA ILE 56 OK 37 62 - 59 - ~11010=9, 1453/3.0=7...(20) HB3 LEU 42 - HA ILE 56 OK 34 100 - 34 - ~10135=6, ~924=5, ~957=4...(11) QG2 ILE 83 - HA ILE 56 OK 25 85 - 29 - ~10133=4, 6515/3.0=3...(14) Peak 1447 from cnoeabs.peaks (1.20, 4.31, 56.11 ppm; 6.22 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HG13 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HB3 LEU 108 - HA ILE 56 OK 39 62 - 62 - ~10552=22, ~10170=11...(11) Peak 1448 from cnoeabs.peaks (1.20, 4.31, 56.11 ppm; 6.22 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HG12 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HB3 LEU 108 - HA ILE 56 OK 42 68 - 62 - ~10552=22, ~10170=11...(11) Peak 1449 from cnoeabs.peaks (0.60, 4.31, 56.11 ppm; 6.10 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 56 + HA ILE 56 OK 100 100 - 100 - 4.2=100 QD1 LEU 132 + HA ILE 56 OK 50 85 - 58 - 1456/3.0=13, 1463/3.2=10...(15) QG1 VAL 71 - HA ILE 56 OK 11 62 - 17 - 1456/3.0=3, 1463/3.2=2...(7) Peak 1450 from cnoeabs.peaks (8.66, 1.95, 36.97 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + HB ILE 56 OK 100 100 - 100 - 4.0=100 H THR 92 - HB ILE 56 OK 14 68 - 20 - 3.9/10083=5, 1457/2.1=5...(8) Peak 1451 from cnoeabs.peaks (4.31, 1.95, 36.97 ppm; 5.64 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HA TYR 70 - HB ILE 56 OK 33 62 - 53 - ~4693=20, 1479/3.2=10...(14) HA SER 100 - HB ILE 56 OK 21 94 - 22 - 9162/2.1=5, 1479/3.2=3...(9) HA PRO 12 - HB ILE 56 OK 13 62 - 20 - 4.8/17=4, ~76=4, ~84=3...(6) Peak 1452 from cnoeabs.peaks (1.95, 1.95, 36.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HB ILE 56 OK 100 100 - 100 Peak 1453 from cnoeabs.peaks (0.86, 1.95, 36.97 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 + HB ILE 56 OK 61 96 - 63 - 1481/3.2=8, 2.1/9880=8...(27) QD1 LEU 97 - HB ILE 56 OK 21 62 - 34 - 9129=6, 1481/3.2=3...(15) HB3 LEU 42 - HB ILE 56 OK 15 100 - 15 - 1481/3.2=2, ~10135=2...(7) QG2 ILE 83 - HB ILE 56 OK 13 85 - 15 - 1481/3.2=2, ~10133=1 Peak 1454 from cnoeabs.peaks (1.20, 1.95, 36.97 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HG13 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HB3 LEU 108 - HB ILE 56 OK 32 62 - 52 - 3.2/10170=9, ~10223=7...(21) Peak 1455 from cnoeabs.peaks (1.20, 1.95, 36.97 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HG12 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HB3 LEU 108 - HB ILE 56 OK 35 68 - 52 - 3.2/10170=9, ~10223=7...(21) Peak 1456 from cnoeabs.peaks (0.60, 1.95, 36.97 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.2=100 QD1 LEU 132 - HB ILE 56 OK 40 85 - 47 - 1463/2.1=9, 2.1/9577=6...(18) QG1 VAL 71 - HB ILE 56 poor 9 62 - 14 - 1463/2.1=2, ~10597=2, 1449/3.0=1 Peak 1457 from cnoeabs.peaks (8.66, 0.86, 17.79 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 4.0=100 H THR 92 - QG2 ILE 56 OK 13 68 - 19 - 1450/2.1=4, 3.9/9027=4...(7) Peak 1458 from cnoeabs.peaks (4.31, 0.86, 17.79 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 HA TYR 70 - QG2 ILE 56 OK 21 62 - 34 - 1458=7, ~4693=7...(11) HA SER 100 - QG2 ILE 56 OK 11 94 - 12 - 9162=2, 1479/3.1=2...(4) HA PRO 12 - QG2 ILE 56 lone 5 62 - 7 - ~76=1, ~84=1 Peak 1459 from cnoeabs.peaks (1.95, 0.86, 17.79 ppm; 2.84 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 2.1=100 HB3 MET 11 - QG2 ILE 56 OK 23 94 - 24 - 3.0/9186=4, 29/2.1=3...(11) HB3 PRO 98 - QG2 ILE 56 OK 21 99 - 22 - 1.8/8304=3, 3.0/9133=3...(8) HB2 LYS 34 - QG2 ILE 56 OK 13 92 - 14 - 1480/3.1=1, 3.4/11009=1 HB2 LYS 61 - QG2 ILE 56 OK 11 100 - 11 - 8331/3.1=2, ~1673=1 HB3 GLU 122 - QG2 ILE 56 lone 4 68 - 5 - Peak 1460 from cnoeabs.peaks (0.86, 0.86, 17.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + QG2 ILE 56 OK 100 100 - 100 Peak 1461 from cnoeabs.peaks (1.20, 0.86, 17.79 ppm; 2.80 A): 2 out of 3 assignments used, quality = 0.97: * HG12 ILE 56 + QG2 ILE 56 OK 82 100 - 82 - 3.2=67, 2.1/1463=22...(10) HG13 ILE 56 + QG2 ILE 56 OK 81 100 - 81 - 3.2=67, 2.1/1463=22...(10) HB3 LEU 108 - QG2 ILE 56 OK 17 62 - 28 - 1462=5, 3.0/11010=4...(9) Peak 1462 from cnoeabs.peaks (1.20, 0.86, 17.79 ppm; 2.80 A): 2 out of 3 assignments used, quality = 0.97: HG12 ILE 56 + QG2 ILE 56 OK 82 100 - 82 - 3.2=67, 2.1/1463=22...(10) * HG13 ILE 56 + QG2 ILE 56 OK 81 100 - 81 - 3.2=67, 2.1/1463=22...(10) HB3 LEU 108 - QG2 ILE 56 OK 19 68 - 28 - 1462=5, 3.0/11010=4...(9) Peak 1463 from cnoeabs.peaks (0.60, 0.86, 17.79 ppm; 2.88 A): 2 out of 3 assignments used, quality = 0.94: * QD1 ILE 56 + QG2 ILE 56 OK 92 100 - 92 - 3.1=81, 2.1/1461=14...(14) QD1 LEU 132 + QG2 ILE 56 OK 23 85 - 27 - 1456/2.1=4, 3.2/9593=2...(14) QG1 VAL 71 - QG2 ILE 56 lone 6 62 - 9 - Peak 1465 from cnoeabs.peaks (4.31, 1.20, 26.58 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.8=100 HA ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.8=100 HA TYR 70 - HG12 ILE 56 OK 35 62 - 56 - ~4693=35, 1479/2.1=14...(5) HA TYR 70 - HG13 ILE 56 OK 34 62 - 55 - ~4693=35, 1479/2.1=14...(4) HA SER 100 - HG12 ILE 56 OK 19 94 - 20 - 1451/3.0=6, 9162/3.2=5...(5) HA SER 100 - HG13 ILE 56 OK 19 94 - 20 - 1451/3.0=6, 9162/3.2=5...(5) HA PRO 12 - HG12 ILE 56 poor 7 62 - 11 - 1451/3.0=3, 1458/3.2=2...(5) HA PRO 12 - HG13 ILE 56 poor 6 62 - 10 - 1451/3.0=3, 1458/3.2=2...(4) Peak 1466 from cnoeabs.peaks (1.95, 1.20, 26.58 ppm; 3.97 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.0=100 HB ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.0=100 HB3 MET 11 - HG12 ILE 56 OK 32 94 - 34 - 1480/2.1=5, 1459/3.2=5...(15) HB3 MET 11 - HG13 ILE 56 OK 31 94 - 34 - 1480/2.1=5, 1459/3.2=5...(15) HB3 PRO 98 - HG12 ILE 56 OK 29 99 - 30 - 1480/2.1=5, 1459/3.2=5...(16) HB3 PRO 98 - HG13 ILE 56 OK 29 99 - 30 - 1480/2.1=5, 1459/3.2=5...(16) HB2 LYS 61 - HG13 ILE 56 OK 19 100 - 19 - 8331/2.1=6, 1459/3.2=2...(7) HB2 LYS 61 - HG12 ILE 56 OK 19 100 - 18 - 8331/2.1=6, 1459/3.2=2...(7) HB2 LYS 34 - HG12 ILE 56 OK 15 92 - 17 - 1480/2.1=3, 1459/3.2=3...(5) HB2 LYS 34 - HG13 ILE 56 OK 15 91 - 17 - 1480/2.1=3, 1459/3.2=3...(5) HB3 GLU 122 - HG12 ILE 56 poor 8 68 - 11 - 3.0/9456=2, ~9456=2...(5) HB3 GLU 122 - HG13 ILE 56 lone 7 67 - 10 - 3.0/9456=2, ~9456=2, 1480/2.1=1 Peak 1467 from cnoeabs.peaks (0.86, 1.20, 26.58 ppm; 3.36 A): 4 out of 10 assignments used, quality = 1.00: * QG2 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.2=100 QG2 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HG12 ILE 56 OK 61 96 - 64 - 2.1/11375=12...(22) QD1 LEU 64 + HG13 ILE 56 OK 57 96 - 60 - 2.1/11375=11...(21) QD1 LEU 97 - HG12 ILE 56 OK 17 62 - 27 - 9129/3.0=3, 1481/2.1=3...(9) QD1 LEU 97 - HG13 ILE 56 OK 17 62 - 27 - 9129/3.0=3, 1481/2.1=3...(10) HB3 LEU 42 - HG12 ILE 56 OK 13 100 - 13 - 1481/2.1=2, ~8156=2...(5) HB3 LEU 42 - HG13 ILE 56 OK 13 99 - 13 - 1481/2.1=2, ~8156=2...(5) QG2 ILE 83 - HG12 ILE 56 poor 9 85 - 11 - 1481/2.1=2, 1453/3.0=2 QG2 ILE 83 - HG13 ILE 56 poor 9 85 - 11 - 1481/2.1=2, 1453/3.0=2 Peak 1468 from cnoeabs.peaks (1.20, 1.20, 26.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Peak 1469 from cnoeabs.peaks (1.20, 1.20, 26.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Reference assignment not found: HG13 ILE 56 - HG12 ILE 56 Peak 1470 from cnoeabs.peaks (0.60, 1.20, 26.58 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.1=100 QD1 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 2.1=100 QD1 LEU 132 - HG12 ILE 56 OK 23 85 - 27 - 1463/3.2=6, 1456/3.0=5...(10) QD1 LEU 132 - HG13 ILE 56 OK 23 85 - 27 - 1463/3.2=6, 1456/3.0=5...(10) QG1 VAL 71 - HG12 ILE 56 lone 6 62 - 10 - ~10597=2, 1463/3.2=1, 1456/3.0=1 QG1 VAL 71 - HG13 ILE 56 lone 6 62 - 9 - ~10597=2, 1463/3.2=1, 1456/3.0=1 Peak 1471 from cnoeabs.peaks (8.66, 1.20, 26.58 ppm; 5.08 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 4.8=100 H ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 4.8=100 H THR 92 - HG12 ILE 56 OK 13 67 - 20 - 1478/2.1=5, 1450/3.0=5...(4) H THR 92 - HG13 ILE 56 OK 13 68 - 19 - 1478/2.1=5, 1450/3.0=5...(4) Peak 1472 from cnoeabs.peaks (4.31, 1.20, 26.58 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.8=100 HA ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.8=100 HA TYR 70 - HG12 ILE 56 OK 35 62 - 56 - ~4693=35, 1479/2.1=14...(5) HA TYR 70 - HG13 ILE 56 OK 34 62 - 55 - ~4693=35, 1479/2.1=14...(4) HA SER 100 - HG12 ILE 56 OK 19 94 - 20 - 1451/3.0=6, 9162/3.2=5...(5) HA SER 100 - HG13 ILE 56 OK 19 94 - 20 - 1451/3.0=6, 9162/3.2=5...(5) HA PRO 12 - HG12 ILE 56 poor 7 62 - 11 - 1451/3.0=3, 1458/3.2=2...(5) HA PRO 12 - HG13 ILE 56 poor 6 62 - 10 - 1451/3.0=3, 1458/3.2=2...(4) Peak 1473 from cnoeabs.peaks (1.95, 1.20, 26.58 ppm; 3.97 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.0=100 HB ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.0=100 HB3 MET 11 - HG13 ILE 56 OK 32 94 - 34 - 1480/2.1=5, 1459/3.2=5...(15) HB3 MET 11 - HG12 ILE 56 OK 31 94 - 34 - 1480/2.1=5, 1459/3.2=5...(15) HB3 PRO 98 - HG13 ILE 56 OK 29 99 - 30 - 1480/2.1=5, 1459/3.2=5...(16) HB3 PRO 98 - HG12 ILE 56 OK 29 99 - 30 - 1480/2.1=5, 1459/3.2=5...(16) HB2 LYS 61 - HG13 ILE 56 OK 19 100 - 19 - 8331/2.1=6, 1459/3.2=2...(7) HB2 LYS 61 - HG12 ILE 56 OK 18 100 - 18 - 8331/2.1=6, 1459/3.2=2...(7) HB2 LYS 34 - HG13 ILE 56 OK 15 92 - 17 - 1480/2.1=3, 1459/3.2=3...(5) HB2 LYS 34 - HG12 ILE 56 OK 15 91 - 16 - 1480/2.1=3, 1459/3.2=3...(5) HB3 GLU 122 - HG12 ILE 56 poor 8 67 - 11 - 3.0/9456=2, ~9456=2...(5) HB3 GLU 122 - HG13 ILE 56 lone 7 68 - 10 - 3.0/9456=2, ~9456=2, 1480/2.1=1 Peak 1474 from cnoeabs.peaks (0.86, 1.20, 26.58 ppm; 3.36 A): 4 out of 10 assignments used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.2=100 QG2 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HG12 ILE 56 OK 61 96 - 64 - 2.1/11375=11...(22) QD1 LEU 64 + HG13 ILE 56 OK 58 96 - 60 - 1481/2.1=11...(21) QD1 LEU 97 - HG13 ILE 56 OK 17 62 - 27 - 9129/3.0=3, 1481/2.1=3...(10) QD1 LEU 97 - HG12 ILE 56 OK 17 62 - 27 - 9129/3.0=3, 1481/2.1=3...(9) HB3 LEU 42 - HG12 ILE 56 OK 13 99 - 13 - 1481/2.1=2, ~8156=2...(5) HB3 LEU 42 - HG13 ILE 56 OK 13 100 - 13 - 1481/2.1=2, ~8156=2...(5) QG2 ILE 83 - HG12 ILE 56 poor 9 85 - 11 - 1481/2.1=2, 1453/3.0=2 QG2 ILE 83 - HG13 ILE 56 poor 9 85 - 11 - 1481/2.1=2, 1453/3.0=2 Peak 1475 from cnoeabs.peaks (1.20, 1.20, 26.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 Reference assignment not found: HG12 ILE 56 - HG13 ILE 56 Peak 1476 from cnoeabs.peaks (1.20, 1.20, 26.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 Peak 1477 from cnoeabs.peaks (0.60, 1.20, 26.58 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 2.1=100 QD1 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.1=100 QD1 LEU 132 - HG12 ILE 56 OK 23 85 - 27 - 1463/3.2=6, 1456/3.0=5...(10) QD1 LEU 132 - HG13 ILE 56 OK 23 85 - 27 - 1463/3.2=6, 1456/3.0=5...(10) QG1 VAL 71 - HG12 ILE 56 lone 6 62 - 10 - ~10597=2, 1463/3.2=1, 1456/3.0=1 QG1 VAL 71 - HG13 ILE 56 lone 6 62 - 9 - ~10597=2, 1463/3.2=1, 1456/3.0=1 Peak 1478 from cnoeabs.peaks (8.66, 0.60, 11.24 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 56 + QD1 ILE 56 OK 96 100 - 96 - 5.0=85, 4.0/1463=30...(8) H THR 92 - QD1 ILE 56 OK 13 68 - 19 - 1457/3.1=4, 1450/3.2=4...(5) Peak 1479 from cnoeabs.peaks (4.31, 0.60, 11.24 ppm; 4.09 A): 1 out of 4 assignments used, quality = 0.98: * HA ILE 56 + QD1 ILE 56 OK 98 100 - 98 - 4.2=93, 3.2/1463=30...(11) HA TYR 70 - QD1 ILE 56 OK 26 62 - 42 - 3.1/4693=16, 4.7/8260=13...(9) HA SER 100 - QD1 ILE 56 OK 10 94 - 11 - 1458/3.1=3, 1451/3.2=2 HA PRO 12 - QD1 ILE 56 lone 4 62 - 6 - 9371/9393=2, 1451/3.2=1 Peak 1480 from cnoeabs.peaks (1.95, 0.60, 11.24 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 3.2=100 HB3 MET 11 - QD1 ILE 56 OK 29 94 - 31 - 1459/3.1=5, 29/3.2=4...(14) HB3 PRO 98 - QD1 ILE 56 OK 27 99 - 27 - 1459/3.1=4, ~8304=3...(14) HB2 LYS 61 - QD1 ILE 56 OK 23 100 - 23 - 8331=6, 1.8/8332=2...(10) HB2 LYS 34 - QD1 ILE 56 OK 17 92 - 19 - 1459/3.1=3, 3.0/10871=2...(5) HB3 GLU 122 - QD1 ILE 56 lone 7 68 - 10 - ~9456=1, ~9456=1 Peak 1481 from cnoeabs.peaks (0.86, 0.60, 11.24 ppm; 2.97 A): 2 out of 5 assignments used, quality = 0.98: * QG2 ILE 56 + QD1 ILE 56 OK 95 100 - 95 - 3.1=88, 1461/2.1=15...(15) QD1 LEU 64 + QD1 ILE 56 OK 58 96 - 60 - 1853=12, 2.1/1837=7...(24) QD1 LEU 97 - QD1 ILE 56 OK 14 62 - 22 - 2.1/10597=3, 1481=3...(7) HB3 LEU 42 - QD1 ILE 56 OK 12 100 - 12 - 3.1/8156=3, 1453/3.2=1 QG2 ILE 83 - QD1 ILE 56 OK 12 85 - 13 - 9733/8261=2, 1453/3.2=1 Peak 1482 from cnoeabs.peaks (1.20, 0.60, 11.24 ppm; 3.14 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 HG13 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 HB3 LEU 108 - QD1 ILE 56 OK 22 62 - 36 - 3.0/10223=7, 1483=3...(17) Peak 1483 from cnoeabs.peaks (1.20, 0.60, 11.24 ppm; 3.14 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 HG12 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 HB3 LEU 108 - QD1 ILE 56 OK 24 68 - 36 - 3.0/10223=7, 1483=3...(18) Peak 1484 from cnoeabs.peaks (0.60, 0.60, 11.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 56 + QD1 ILE 56 OK 100 100 - 100 Peak 1485 from cnoeabs.peaks (4.31, 3.34, 49.96 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 56 + HD2 PRO 57 OK 100 100 - 100 - 3.8=100 HA ILE 56 + HD3 PRO 57 OK 98 98 - 100 - 3.8=100 HA TYR 70 - HD2 PRO 57 OK 11 62 - 17 - 1458/4.2=4, 10591/2.3=3...(5) HA TYR 70 - HD3 PRO 57 poor 10 59 - 17 - 1458/4.2=4, 10591/2.3=3...(5) HA SER 100 - HD2 PRO 57 lone 5 94 - 5 - 1458/4.2=2, 1451/4.8=2 HA SER 100 - HD3 PRO 57 lone 5 90 - 5 - 1458/4.2=2, 1451/4.8=2 HA PRO 12 - HD2 PRO 57 lone 3 62 - 5 - 8400/8402=2, 10591/2.3=1 HA PRO 12 - HD3 PRO 57 lone 3 59 - 5 - 8400/8402=2, 10591/2.3=1 Peak 1486 from cnoeabs.peaks (3.34, 4.31, 56.11 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HD3 PRO 57 + HA ILE 56 OK 100 100 - 100 - 3.8=100 Peak 1487 from cnoeabs.peaks (4.31, 3.34, 49.96 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 56 + HD3 PRO 57 OK 100 100 - 100 - 3.8=100 HA ILE 56 + HD2 PRO 57 OK 98 98 - 100 - 3.8=100 HA TYR 70 - HD3 PRO 57 OK 11 62 - 17 - 1458/4.2=4, 10591/2.3=3...(5) HA TYR 70 - HD2 PRO 57 poor 10 59 - 17 - 1458/4.2=4, 10591/2.3=3...(5) HA SER 100 - HD3 PRO 57 lone 5 94 - 5 - 1458/4.2=2, 1451/4.8=2 HA SER 100 - HD2 PRO 57 lone 5 90 - 5 - 1458/4.2=2, 1451/4.8=2 HA PRO 12 - HD3 PRO 57 lone 3 62 - 5 - 8400/8402=2, 10591/2.3=1 HA PRO 12 - HD2 PRO 57 lone 3 59 - 5 - 8400/8402=2, 10591/2.3=1 Peak 1488 from cnoeabs.peaks (3.34, 4.31, 56.11 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HD2 PRO 57 + HA ILE 56 OK 100 100 - 100 - 3.8=100 Peak 1489 from cnoeabs.peaks (4.41, 3.34, 49.96 ppm; 5.44 A): 4 out of 6 assignments used, quality = 1.00: * HA PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD3 PRO 57 OK 98 98 - 100 - 3.6=100 HA PRO 33 + HD2 PRO 57 OK 69 100 - 69 - 1513/3.0=17, 1529/2.3=16...(15) HA PRO 33 + HD3 PRO 57 OK 67 98 - 69 - 1513/3.0=17, 1529/2.3=16...(15) HA ASP 40 - HD2 PRO 57 OK 13 62 - 20 - 1529/2.3=4, 1521/3.0=3...(7) HA ASP 40 - HD3 PRO 57 OK 12 59 - 19 - 1529/2.3=4, 1521/3.0=3...(7) Peak 1490 from cnoeabs.peaks (1.65, 3.34, 49.96 ppm; 4.56 A): 6 out of 16 assignments used, quality = 1.00: * HB2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 3.0=100 HB2 PRO 57 + HD3 PRO 57 OK 98 98 - 100 - 3.0=100 HG13 ILE 136 + HD2 PRO 57 OK 75 99 - 76 - 1538/2.3=10, 1530/2.3=10...(31) HG13 ILE 136 + HD3 PRO 57 OK 73 96 - 76 - 1538/2.3=10, 1530/2.3=10...(30) HB2 LYS 114 + HD2 PRO 57 OK 48 100 - 48 - ~8266=7, 1530/2.3=6...(17) HB2 LYS 114 + HD3 PRO 57 OK 47 98 - 48 - ~8266=7, 1530/2.3=6...(17) HD3 LYS 93 - HD2 PRO 57 OK 45 100 - 45 - 1538/2.3=5, 1530/2.3=5...(23) HD3 LYS 93 - HD3 PRO 57 OK 44 98 - 44 - 1538/2.3=5, 1530/2.3=5...(23) HB3 LEU 26 - HD2 PRO 57 OK 35 68 - 52 - ~10566=10, 3.1/10566=6...(22) HB3 LEU 26 - HD3 PRO 57 OK 35 63 - 55 - 3.1/10566=13, ~10566=7...(21) HG2 ARG 124 - HD2 PRO 57 OK 24 72 - 34 - 1530/2.3=3, 1538/2.3=3...(18) HG2 ARG 124 - HD3 PRO 57 OK 23 68 - 34 - 1530/2.3=3, 1538/2.3=3...(18) HG2 ARG 140 - HD2 PRO 57 OK 14 98 - 14 - 11015/4.2=2, 1530/2.3=2...(5) HG2 ARG 140 - HD3 PRO 57 OK 14 95 - 14 - 11015/4.2=2, 1530/2.3=2...(5) HB2 MET 68 - HD2 PRO 57 poor 9 77 - 12 - 1530/2.3=1, 1522/3.0=1 HB2 MET 68 - HD3 PRO 57 poor 8 73 - 12 - 1530/2.3=1, 1522/3.0=1 Peak 1491 from cnoeabs.peaks (2.18, 3.34, 49.96 ppm; 6.80 A): 6 out of 12 assignments used, quality = 1.00: * HB3 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HD3 PRO 57 OK 98 98 - 100 - 3.0=100 HB3 LYS 86 + HD2 PRO 57 OK 90 100 - 91 - 1539/2.3=13, 1531/2.3=12...(30) HB3 LYS 86 + HD3 PRO 57 OK 88 97 - 90 - 1539/2.3=13, 1531/2.3=12...(29) HB2 MET 46 + HD2 PRO 57 OK 60 81 - 74 - ~1060=9, 1521/3.6=8...(18) HB2 MET 46 + HD3 PRO 57 OK 57 77 - 74 - ~1060=9, 1521/3.6=8...(18) HG2 GLU 75 - HD2 PRO 57 OK 45 68 - 66 - ~11514=17, ~9927=11...(16) HB2 MET 113 - HD2 PRO 57 OK 44 81 - 55 - ~3700=6, ~3682=6...(17) HG2 GLU 75 - HD3 PRO 57 OK 42 63 - 66 - ~11514=17, ~9927=11...(15) HB2 MET 113 - HD3 PRO 57 OK 42 77 - 54 - ~3700=6, ~3682=6...(17) HG2 PRO 129 - HD2 PRO 57 OK 28 94 - 29 - ~4362=4, ~4354=3...(11) HG2 PRO 129 - HD3 PRO 57 OK 26 90 - 29 - ~4362=4, ~4354=3...(11) Peak 1492 from cnoeabs.peaks (1.78, 3.34, 49.96 ppm; 4.05 A): 6 out of 18 assignments used, quality = 1.00: * HG2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 2.3=100 HG2 PRO 57 + HD3 PRO 57 OK 98 98 - 100 - 2.3=100 HD3 LYS 34 + HD2 PRO 57 OK 68 89 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HD2 LYS 34 + HD2 PRO 57 OK 67 89 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HD3 LYS 34 + HD3 PRO 57 OK 65 85 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HD2 LYS 34 + HD3 PRO 57 OK 64 85 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HG LEU 72 - HD2 PRO 57 OK 36 100 - 36 - 1540/2.3=4, 1516/3.0=3...(18) HG LEU 72 - HD3 PRO 57 OK 36 98 - 36 - 1540/2.3=4, 1516/3.0=3...(19) HB3 ARG 145 - HD2 PRO 57 OK 27 92 - 30 - 1524/3.0=3, 1540/2.3=3...(12) HB3 ARG 145 - HD3 PRO 57 OK 26 88 - 30 - 1524/3.0=3, 1540/2.3=3...(12) HB3 LYS 24 - HD2 PRO 57 OK 23 68 - 34 - ~10902=7, ~10895=7...(11) HB3 LYS 24 - HD3 PRO 57 OK 21 63 - 34 - ~10902=7, ~10895=7...(11) HB3 ARG 55 - HD2 PRO 57 OK 19 89 - 21 - 1414/4.7=16, 11009/4.2=3 HB3 ARG 55 - HD3 PRO 57 OK 18 85 - 21 - 1414/4.7=16, 11009/4.2=3 HB3 MET 59 - HD2 PRO 57 OK 14 96 - 14 - 11009/4.2=3, ~1604=2...(5) HB3 MET 59 - HD3 PRO 57 OK 13 93 - 14 - 11009/4.2=3, ~1604=2...(5) HG LEU 39 - HD2 PRO 57 OK 11 81 - 13 - 2.1/9823=2, 11009/4.2=2...(5) HG LEU 39 - HD3 PRO 57 OK 11 77 - 14 - 2.1/9823=2, 11009/4.2=2...(5) Peak 1493 from cnoeabs.peaks (1.52, 3.34, 49.96 ppm; 4.45 A): 2 out of 18 assignments used, quality = 1.00: * HG3 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 2.3=100 HG3 PRO 57 + HD3 PRO 57 OK 98 98 - 100 - 2.3=100 HB2 LYS 123 - HD2 PRO 57 OK 39 100 - 39 - 1533/2.3=6, ~4120=5...(14) HB2 LYS 123 - HD3 PRO 57 OK 38 98 - 39 - 1533/2.3=6, ~4120=5...(14) HG2 LYS 93 - HD2 PRO 57 OK 37 89 - 42 - 1517/3.0=5, 1533/2.3=5...(24) HG2 LYS 93 - HD3 PRO 57 OK 36 85 - 42 - 1517/3.0=5, 1533/2.3=5...(24) HB2 LEU 29 - HD2 PRO 57 OK 32 96 - 33 - 1533/2.3=4, 1517/3.0=4...(16) HB2 LEU 29 - HD3 PRO 57 OK 30 93 - 33 - 1533/2.3=4, 1517/3.0=4...(16) HB2 GLU 122 - HD2 PRO 57 OK 23 89 - 26 - 1533/2.3=3, 1.8/9822=2...(13) QB ALA 135 - HD2 PRO 57 OK 23 98 - 23 - 10319/4.2=4, 1517/3.0=3...(9) HB2 GLU 122 - HD3 PRO 57 OK 22 85 - 26 - 1533/2.3=3, ~4075=2...(13) QB ALA 135 - HD3 PRO 57 OK 22 95 - 24 - 10319/4.2=4, 1517/3.0=3...(9) HG3 LYS 85 - HD2 PRO 57 OK 21 100 - 21 - 1525/3.0=3, 1533/2.3=3...(11) HG3 LYS 85 - HD3 PRO 57 OK 20 98 - 21 - 1525/3.0=3, 1533/2.3=3...(11) HG3 LYS 76 - HD2 PRO 57 OK 15 89 - 17 - 1517/3.0=2, 1533/2.3=2...(5) HG3 LYS 76 - HD3 PRO 57 OK 15 85 - 17 - 1517/3.0=2, 1533/2.3=2...(5) HD2 LYS 76 - HD2 PRO 57 OK 12 72 - 17 - 1517/3.0=2, 1533/2.3=2...(6) HD2 LYS 76 - HD3 PRO 57 OK 12 68 - 17 - 1517/3.0=2, 1533/2.3=2...(6) Peak 1494 from cnoeabs.peaks (3.34, 3.34, 49.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 HD3 PRO 57 + HD3 PRO 57 OK 97 97 - 100 Peak 1495 from cnoeabs.peaks (3.34, 3.34, 49.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 HD3 PRO 57 + HD3 PRO 57 OK 98 98 - 100 Reference assignment not found: HD3 PRO 57 - HD2 PRO 57 Peak 1497 from cnoeabs.peaks (4.41, 3.34, 49.96 ppm; 5.44 A): 4 out of 6 assignments used, quality = 1.00: * HA PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD2 PRO 57 OK 98 98 - 100 - 3.6=100 HA PRO 33 + HD3 PRO 57 OK 69 100 - 69 - 1513/3.0=17, 1529/2.3=16...(15) HA PRO 33 + HD2 PRO 57 OK 67 98 - 69 - 1513/3.0=17, 1529/2.3=16...(15) HA ASP 40 - HD3 PRO 57 OK 12 62 - 20 - 1529/2.3=4, 1521/3.0=3...(7) HA ASP 40 - HD2 PRO 57 OK 12 59 - 20 - 1529/2.3=4, 1521/3.0=3...(7) Peak 1498 from cnoeabs.peaks (1.65, 3.34, 49.96 ppm; 4.56 A): 6 out of 16 assignments used, quality = 1.00: * HB2 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 3.0=100 HB2 PRO 57 + HD2 PRO 57 OK 98 98 - 100 - 3.0=100 HG13 ILE 136 + HD3 PRO 57 OK 75 99 - 76 - 1538/2.3=10, 1530/2.3=10...(29) HG13 ILE 136 + HD2 PRO 57 OK 73 96 - 76 - 1538/2.3=10, 1530/2.3=10...(29) HB2 LYS 114 + HD3 PRO 57 OK 48 100 - 48 - ~8266=7, 1530/2.3=6...(17) HB2 LYS 114 + HD2 PRO 57 OK 46 98 - 48 - ~8266=7, 1530/2.3=6...(17) HD3 LYS 93 - HD3 PRO 57 OK 45 100 - 45 - 1538/2.3=5, 1530/2.3=5...(23) HD3 LYS 93 - HD2 PRO 57 OK 44 98 - 44 - 1538/2.3=5, 1530/2.3=5...(23) HB3 LEU 26 - HD3 PRO 57 OK 37 68 - 54 - 3.1/10566=12, ~10566=7...(21) HB3 LEU 26 - HD2 PRO 57 OK 33 63 - 52 - ~10566=10, ~8262=6...(22) HG2 ARG 124 - HD3 PRO 57 OK 25 72 - 34 - 1530/2.3=3, 1538/2.3=3...(18) HG2 ARG 124 - HD2 PRO 57 OK 23 68 - 34 - 1530/2.3=3, 1538/2.3=3...(18) HG2 ARG 140 - HD3 PRO 57 OK 14 98 - 14 - 11015/4.2=2, 1530/2.3=2...(5) HG2 ARG 140 - HD2 PRO 57 OK 14 95 - 14 - 11015/4.2=2, 1530/2.3=2...(5) HB2 MET 68 - HD3 PRO 57 poor 9 77 - 12 - 1530/2.3=1, 1522/3.0=1 HB2 MET 68 - HD2 PRO 57 poor 9 73 - 12 - 1530/2.3=1, 1522/3.0=1 Peak 1499 from cnoeabs.peaks (2.18, 3.34, 49.96 ppm; 6.80 A): 6 out of 12 assignments used, quality = 1.00: * HB3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HD2 PRO 57 OK 98 98 - 100 - 3.0=100 HB3 LYS 86 + HD3 PRO 57 OK 90 100 - 91 - 1539/2.3=13, 1531/2.3=12...(29) HB3 LYS 86 + HD2 PRO 57 OK 88 97 - 91 - 1539/2.3=13, 1531/2.3=12...(30) HB2 MET 46 + HD3 PRO 57 OK 60 81 - 74 - ~1060=9, 1521/3.6=8...(18) HB2 MET 46 + HD2 PRO 57 OK 57 77 - 74 - ~1060=9, 1521/3.6=8...(18) HG2 GLU 75 - HD3 PRO 57 OK 45 68 - 66 - ~11514=17, ~9927=11...(16) HB2 MET 113 - HD3 PRO 57 OK 44 81 - 54 - ~3700=6, ~3682=6...(17) HG2 GLU 75 - HD2 PRO 57 OK 42 63 - 67 - ~11514=17, ~9927=11...(16) HB2 MET 113 - HD2 PRO 57 OK 42 77 - 55 - ~3700=6, ~3682=6...(17) HG2 PRO 129 - HD3 PRO 57 OK 28 94 - 29 - ~4362=4, ~4354=3...(10) HG2 PRO 129 - HD2 PRO 57 OK 26 90 - 29 - ~4362=4, ~4354=3...(11) Peak 1500 from cnoeabs.peaks (1.78, 3.34, 49.96 ppm; 4.05 A): 6 out of 18 assignments used, quality = 1.00: * HG2 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 2.3=100 HG2 PRO 57 + HD2 PRO 57 OK 98 98 - 100 - 2.3=100 HD3 LYS 34 + HD3 PRO 57 OK 68 89 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HD2 LYS 34 + HD3 PRO 57 OK 67 89 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HD3 LYS 34 + HD2 PRO 57 OK 65 85 - 76 - 1540/2.3=8, 1524/3.0=7...(48) HD2 LYS 34 + HD2 PRO 57 OK 64 85 - 75 - 1540/2.3=8, 1524/3.0=7...(48) HG LEU 72 - HD3 PRO 57 OK 36 100 - 36 - 1540/2.3=4, 1516/3.0=3...(19) HG LEU 72 - HD2 PRO 57 OK 35 98 - 36 - 1540/2.3=4, 1516/3.0=3...(18) HB3 ARG 145 - HD3 PRO 57 OK 27 92 - 30 - 1524/3.0=3, 1540/2.3=3...(12) HB3 ARG 145 - HD2 PRO 57 OK 26 88 - 30 - 1524/3.0=3, 1540/2.3=3...(12) HB3 LYS 24 - HD3 PRO 57 OK 23 68 - 34 - ~10902=7, ~10895=7...(11) HB3 LYS 24 - HD2 PRO 57 OK 21 63 - 34 - ~10902=7, ~10895=7...(11) HB3 ARG 55 - HD3 PRO 57 OK 19 89 - 21 - 1414/4.7=16, 11009/4.2=3 HB3 ARG 55 - HD2 PRO 57 OK 18 85 - 21 - 1414/4.7=16, 11009/4.2=3 HB3 MET 59 - HD3 PRO 57 OK 14 96 - 14 - 11009/4.2=3, ~1604=2...(5) HB3 MET 59 - HD2 PRO 57 OK 13 93 - 14 - 11009/4.2=3, ~1604=2...(5) HG LEU 39 - HD3 PRO 57 OK 11 81 - 14 - 2.1/9823=2, 11009/4.2=2...(5) HG LEU 39 - HD2 PRO 57 OK 10 77 - 14 - 2.1/9823=2, 11009/4.2=2...(5) Peak 1501 from cnoeabs.peaks (1.52, 3.34, 49.96 ppm; 4.45 A): 2 out of 18 assignments used, quality = 1.00: * HG3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 2.3=100 HG3 PRO 57 + HD2 PRO 57 OK 98 98 - 100 - 2.3=100 HB2 LYS 123 - HD3 PRO 57 OK 39 100 - 39 - 1533/2.3=6, ~4120=5...(14) HB2 LYS 123 - HD2 PRO 57 OK 38 98 - 39 - 1533/2.3=6, ~4120=5...(14) HG2 LYS 93 - HD3 PRO 57 OK 38 89 - 42 - 1517/3.0=5, 1533/2.3=5...(24) HG2 LYS 93 - HD2 PRO 57 OK 36 85 - 42 - 1517/3.0=5, 1533/2.3=5...(24) HB2 LEU 29 - HD3 PRO 57 OK 32 96 - 33 - 1533/2.3=4, 1517/3.0=4...(17) HB2 LEU 29 - HD2 PRO 57 OK 30 93 - 33 - 1533/2.3=4, 1517/3.0=4...(16) HB2 GLU 122 - HD3 PRO 57 OK 23 89 - 26 - 1533/2.3=3, ~4075=2...(13) QB ALA 135 - HD3 PRO 57 OK 23 98 - 23 - 10319/4.2=4, 1517/3.0=3...(10) HB2 GLU 122 - HD2 PRO 57 OK 22 85 - 26 - 1533/2.3=3, ~4075=2...(13) QB ALA 135 - HD2 PRO 57 OK 22 95 - 23 - 10319/4.2=4, 1517/3.0=3...(9) HG3 LYS 85 - HD3 PRO 57 OK 21 100 - 21 - 1525/3.0=3, 1533/2.3=3...(11) HG3 LYS 85 - HD2 PRO 57 OK 20 98 - 21 - 1525/3.0=3, 1533/2.3=3...(11) HG3 LYS 76 - HD3 PRO 57 OK 15 89 - 17 - 1517/3.0=2, 1533/2.3=2...(5) HG3 LYS 76 - HD2 PRO 57 OK 14 85 - 17 - 1517/3.0=2, 1533/2.3=2...(5) HD2 LYS 76 - HD3 PRO 57 OK 13 72 - 17 - 1517/3.0=2, 1533/2.3=2...(6) HD2 LYS 76 - HD2 PRO 57 OK 12 68 - 17 - 1517/3.0=2, 1533/2.3=2...(6) Peak 1502 from cnoeabs.peaks (3.34, 3.34, 49.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 HD2 PRO 57 + HD2 PRO 57 OK 98 98 - 100 Reference assignment not found: HD2 PRO 57 - HD3 PRO 57 Peak 1503 from cnoeabs.peaks (3.34, 3.34, 49.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 HD2 PRO 57 + HD2 PRO 57 OK 97 97 - 100 Peak 1505 from cnoeabs.peaks (4.41, 4.41, 62.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 57 + HA PRO 57 OK 100 100 - 100 Peak 1506 from cnoeabs.peaks (1.65, 4.41, 62.67 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 2.3=100 HG13 ILE 136 + HA PRO 57 OK 49 99 - 50 - 1522/2.3=7, ~8263=6...(21) HB2 LYS 114 - HA PRO 57 OK 33 100 - 33 - 1522/2.3=5, ~8266=5...(16) HD3 LYS 93 - HA PRO 57 OK 26 100 - 26 - 1522/2.3=4, 1530/3.8=3...(11) HB3 LEU 26 - HA PRO 57 OK 20 68 - 29 - ~8262=4, ~246=3...(13) HG2 ARG 124 - HA PRO 57 OK 13 72 - 18 - 1522/2.3=2, ~4235=2...(7) HG2 ARG 140 - HA PRO 57 lone 8 98 - 8 - 1522/2.3=1 HB2 MET 68 - HA PRO 57 lone 7 77 - 9 - Peak 1507 from cnoeabs.peaks (2.18, 4.41, 62.67 ppm; 3.99 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HA PRO 57 OK 55 100 - 55 - 1515/2.3=9, 1531/3.8=6...(20) HB2 MET 46 - HA PRO 57 OK 37 81 - 46 - 1521=8, 1515/2.3=5...(17) HG2 GLU 75 - HA PRO 57 OK 24 68 - 36 - ~11514=7, 8632/10427=5...(14) HB2 MET 113 - HA PRO 57 OK 22 81 - 28 - ~3700=4, 1515/2.3=3...(13) HG2 PRO 129 - HA PRO 57 OK 14 94 - 15 - 1515/2.3=2, ~4362=2...(8) Peak 1508 from cnoeabs.peaks (1.78, 4.41, 62.67 ppm; 6.80 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.8=100 HD3 LYS 34 + HA PRO 57 OK 66 89 - 74 - ~10524=12, 2.9/1509=10...(18) HD2 LYS 34 + HA PRO 57 OK 66 89 - 74 - 10524/2.3=10...(18) HG LEU 72 - HA PRO 57 OK 36 100 - 36 - ~9938=6, ~8262=5...(11) HB3 LYS 24 - HA PRO 57 OK 34 68 - 51 - ~10902=22, ~10895=21...(9) HB3 ARG 145 - HA PRO 57 OK 25 92 - 27 - 1524/2.3=4, ~4939=4...(12) HB3 MET 59 - HA PRO 57 OK 16 96 - 16 - 11011/11243=4...(6) HB3 ARG 55 - HA PRO 57 lone 9 89 - 10 - 8249/10425=1, 1500/3.6=1 HG LEU 39 - HA PRO 57 lone 8 81 - 9 - 11011/11243=1 Peak 1509 from cnoeabs.peaks (1.52, 4.41, 62.67 ppm; 4.66 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.8=100 HG2 LYS 93 - HA PRO 57 OK 31 89 - 35 - 1517/2.3=6, 1525/2.3=5...(16) HB2 LEU 29 - HA PRO 57 OK 23 96 - 24 - 1517/2.3=4, 1525/2.3=4...(8) QB ALA 135 - HA PRO 57 OK 22 98 - 22 - 10451/3.6=6, 1517/2.3=4...(7) HB2 LYS 123 - HA PRO 57 OK 19 100 - 19 - 1533/3.8=5, 1517/2.3=5...(5) HG3 LYS 85 - HA PRO 57 OK 13 100 - 12 - 1525/2.3=3, 1517/2.3=3...(5) HB2 GLU 122 - HA PRO 57 OK 11 89 - 13 - 1517/2.3=3, 1525/2.3=3...(5) HG3 LYS 76 - HA PRO 57 OK 11 89 - 12 - 1517/2.3=2, 1525/2.3=2...(4) HD2 LYS 76 - HA PRO 57 poor 10 72 - 14 - 1517/2.3=2, 1525/2.3=2...(5) Peak 1510 from cnoeabs.peaks (3.34, 4.41, 62.67 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.6=100 HD3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.6=100 Peak 1511 from cnoeabs.peaks (3.34, 4.41, 62.67 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.6=100 HD2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.6=100 Peak 1512 from cnoeabs.peaks (8.03, 4.41, 62.67 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 58 + HA PRO 57 OK 100 100 - 100 - 3.6=100 H GLN 133 - HA PRO 57 lone 7 89 - 8 - 1520/2.3=2, 1561/10427=2...(4) H ARG 144 - HA PRO 57 lone 6 99 - 6 - 6520=2, 6532/10594=1 Peak 1513 from cnoeabs.peaks (4.41, 1.65, 31.87 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 2.3=100 HA PRO 33 + HB2 PRO 57 OK 58 100 - 58 - 1521/1.8=11...(18) HA ASP 40 - HB2 PRO 57 poor 7 62 - 11 - 1521/1.8=2, 1529/2.3=2, ~6280=1 Peak 1514 from cnoeabs.peaks (1.65, 1.65, 31.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 Peak 1515 from cnoeabs.peaks (2.18, 1.65, 31.87 ppm; 3.21 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 1.8=100 HB3 LYS 86 + HB2 PRO 57 OK 49 100 - 49 - 1531/2.3=6, 1507/2.3=5...(25) HB2 MET 46 - HB2 PRO 57 OK 26 81 - 32 - 1521/2.3=4, 1531/2.3=3...(17) HG2 GLU 75 - HB2 PRO 57 OK 21 68 - 31 - 3.0/11514=8, ~9927=3...(12) HB2 MET 113 - HB2 PRO 57 OK 18 81 - 22 - ~3700=3, ~3700=2...(11) HG2 PRO 129 - HB2 PRO 57 OK 11 94 - 11 - 1531/2.3=1, 1507/2.3=1...(7) Peak 1516 from cnoeabs.peaks (1.78, 1.65, 31.87 ppm; 3.20 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 LYS 34 + HB2 PRO 57 OK 51 89 - 58 - 1524/1.8=7, 1540/2.3=5...(29) HD2 LYS 34 + HB2 PRO 57 OK 51 89 - 57 - 1524/1.8=7, 1540/2.3=5...(29) HG LEU 72 - HB2 PRO 57 OK 26 100 - 26 - 1524/1.8=3, 1540/2.3=3...(10) HB3 ARG 145 - HB2 PRO 57 OK 20 92 - 22 - 1524/1.8=3, 1540/2.3=2...(7) HB3 LYS 24 - HB2 PRO 57 OK 18 68 - 26 - ~10902=6, ~10895=5...(8) HB3 MET 59 - HB2 PRO 57 lone 7 96 - 8 - ~1604=1 HG LEU 39 - HB2 PRO 57 lone 6 81 - 7 - HB3 ARG 55 - HB2 PRO 57 lone 3 89 - 4 - Peak 1517 from cnoeabs.peaks (1.52, 1.65, 31.87 ppm; 4.01 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 2.3=100 HG2 LYS 93 - HB2 PRO 57 OK 39 89 - 44 - 1533/2.3=4, 1525/1.8=4...(22) HB2 LYS 123 - HB2 PRO 57 OK 32 100 - 32 - 1533/2.3=5, ~4120=4...(13) HB2 LEU 29 - HB2 PRO 57 OK 30 96 - 31 - 3.1/10843=4, 3.2/10842=4...(13) QB ALA 135 - HB2 PRO 57 OK 28 98 - 29 - 10451/3.9=4, 3.7/7750=3...(10) HB2 GLU 122 - HB2 PRO 57 OK 19 89 - 21 - 1533/2.3=2, 1525/1.8=2...(13) HG3 LYS 85 - HB2 PRO 57 OK 19 100 - 19 - 1525/1.8=3, 1533/2.3=2...(4) HG3 LYS 76 - HB2 PRO 57 OK 17 89 - 18 - 1533/2.3=2, 1525/1.8=2 HD2 LYS 76 - HB2 PRO 57 OK 13 72 - 18 - 1525/1.8=1, 1533/2.3=1 Peak 1518 from cnoeabs.peaks (3.34, 1.65, 31.87 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 3.0=100 HD3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 3.0=100 Peak 1519 from cnoeabs.peaks (3.34, 1.65, 31.87 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 3.0=100 HD2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 3.0=100 Peak 1520 from cnoeabs.peaks (8.03, 1.65, 31.87 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 58 + HB2 PRO 57 OK 100 100 - 100 - 3.9=100 H GLN 133 - HB2 PRO 57 OK 14 89 - 16 - 4.6/10422=6, 2.8/9613=4 H ARG 144 - HB2 PRO 57 lone 5 99 - 5 - 1512/2.3=3, 6521=1 Peak 1521 from cnoeabs.peaks (4.41, 2.18, 31.87 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 2.3=100 HA PRO 33 + HB3 PRO 57 OK 57 100 - 57 - 1513/1.8=14, 1529/2.3=9...(17) HA ASP 40 - HB3 PRO 57 poor 9 62 - 14 - 1513/1.8=2, 1529/2.3=2...(4) Peak 1522 from cnoeabs.peaks (1.65, 2.18, 31.87 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 1.8=100 HG13 ILE 136 + HB3 PRO 57 OK 54 99 - 54 - 1530/2.3=6, 1538/2.3=6...(26) HB2 LYS 114 - HB3 PRO 57 OK 36 100 - 36 - 2.9/8266=5...(16) HD3 LYS 93 - HB3 PRO 57 OK 31 100 - 31 - 1530/2.3=3, 1538/2.3=3...(11) HB3 LEU 26 - HB3 PRO 57 OK 22 68 - 32 - ~10566=4, ~8262=3...(15) HG2 ARG 124 - HB3 PRO 57 OK 16 72 - 22 - 1530/2.3=2, 1538/2.3=2...(7) HG2 ARG 140 - HB3 PRO 57 lone 8 98 - 8 - HB2 MET 68 - HB3 PRO 57 lone 7 77 - 9 - Peak 1523 from cnoeabs.peaks (2.18, 2.18, 31.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 Peak 1524 from cnoeabs.peaks (1.78, 2.18, 31.87 ppm; 3.12 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 LYS 34 + HB3 PRO 57 OK 52 89 - 58 - 1516/1.8=6, 1540/2.3=5...(27) HD2 LYS 34 + HB3 PRO 57 OK 51 89 - 57 - 1516/1.8=6, 1540/2.3=5...(29) HG LEU 72 - HB3 PRO 57 OK 24 100 - 24 - 1516/1.8=3, 1540/2.3=2...(10) HB3 ARG 145 - HB3 PRO 57 OK 23 92 - 25 - 4.0/10586=7, 1516/1.8=2...(7) HB3 LYS 24 - HB3 PRO 57 OK 15 68 - 22 - 3.0/10902=4, 3.0/10895=4...(8) HB3 MET 59 - HB3 PRO 57 lone 8 96 - 8 - ~1604=1 HG LEU 39 - HB3 PRO 57 lone 4 81 - 5 - HB3 ARG 55 - HB3 PRO 57 lone 3 89 - 3 - Peak 1525 from cnoeabs.peaks (1.52, 2.18, 31.87 ppm; 4.56 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 2.3=100 HG2 LYS 93 + HB3 PRO 57 OK 45 89 - 51 - 1517/1.8=6, 3.0/1522=5...(27) HB2 LYS 123 - HB3 PRO 57 OK 40 100 - 40 - 1533/2.3=6, ~4120=5...(14) HB2 LEU 29 - HB3 PRO 57 OK 35 96 - 37 - 1517/1.8=4, 1533/2.3=4...(16) HG3 LYS 85 - HB3 PRO 57 OK 30 100 - 30 - 5.1/10587=5, 4.0/8861=5...(13) QB ALA 135 - HB3 PRO 57 OK 26 98 - 27 - 10451/3.9=5, 1517/1.8=4...(9) HB2 GLU 122 - HB3 PRO 57 OK 24 89 - 27 - 1517/1.8=3, 1533/2.3=3...(16) HG3 LYS 76 - HB3 PRO 57 OK 19 89 - 21 - 1517/1.8=3, 1533/2.3=2...(6) HD2 LYS 76 - HB3 PRO 57 OK 16 72 - 22 - 1517/1.8=2, 1533/2.3=2...(6) Peak 1526 from cnoeabs.peaks (3.34, 2.18, 31.87 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 3.0=100 HD3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 3.0=100 Peak 1527 from cnoeabs.peaks (3.34, 2.18, 31.87 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 3.0=100 HD2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 3.0=100 Peak 1529 from cnoeabs.peaks (4.41, 1.78, 27.60 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 3.8=100 HA PRO 33 + HG2 PRO 57 OK 66 100 - 66 - 1529=17, 1513/2.3=17...(15) HA ASP 40 - HG2 PRO 57 OK 12 62 - 18 - 1529=4, 1521/2.3=3...(7) Peak 1530 from cnoeabs.peaks (1.65, 1.78, 27.60 ppm; 3.27 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HG13 ILE 136 + HG2 PRO 57 OK 55 99 - 56 - 1538/1.8=7, 1522/2.3=6...(26) HB2 LYS 114 - HG2 PRO 57 OK 32 100 - 32 - 1522/2.3=4, 1538/1.8=4...(17) HD3 LYS 93 - HG2 PRO 57 OK 30 100 - 30 - 1538/1.8=4, 1522/2.3=3...(11) HB3 LEU 26 - HG2 PRO 57 OK 20 68 - 30 - ~10566=4, 1530=3...(13) HG2 ARG 124 - HG2 PRO 57 OK 16 72 - 22 - 1538/1.8=2, 1522/2.3=2...(5) HG2 ARG 140 - HG2 PRO 57 lone 8 98 - 8 - HB2 MET 68 - HG2 PRO 57 lone 7 77 - 9 - Peak 1531 from cnoeabs.peaks (2.18, 1.78, 27.60 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HG2 PRO 57 OK 68 100 - 69 - 1515/2.3=9, 2699=7...(28) HB2 MET 46 - HG2 PRO 57 OK 35 81 - 43 - 1515/2.3=5, 1531=5...(17) HG2 GLU 75 - HG2 PRO 57 OK 29 68 - 43 - ~11514=7, ~9927=6...(15) HB2 MET 113 - HG2 PRO 57 OK 26 81 - 32 - ~3700=4, 1515/2.3=3...(15) HG2 PRO 129 - HG2 PRO 57 OK 17 94 - 17 - 1515/2.3=2, 1539/1.8=2...(8) Peak 1532 from cnoeabs.peaks (1.78, 1.78, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 Peak 1533 from cnoeabs.peaks (1.52, 1.78, 27.60 ppm; 2.97 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 1.8=100 HB2 LYS 123 - HG2 PRO 57 OK 22 100 - 22 - 1533=3, ~4120=3...(10) HG2 LYS 93 - HG2 PRO 57 OK 19 89 - 22 - 1517/2.3=2, 3.0/1530=2...(5) HB2 LEU 29 - HG2 PRO 57 OK 18 96 - 18 - 1517/2.3=2, 11012/8267=2...(7) QB ALA 135 - HG2 PRO 57 OK 12 98 - 12 - 9628/10423=2, 1517/2.3=2 HB2 GLU 122 - HG2 PRO 57 OK 11 89 - 13 - ~4075=1, ~4075=1, 1517/2.3=1 HG3 LYS 85 - HG2 PRO 57 OK 11 100 - 11 - 1533=1, 1525/2.3=1, 1517/2.3=1 HG3 LYS 76 - HG2 PRO 57 lone 8 89 - 9 - 1517/2.3=1 HD2 LYS 76 - HG2 PRO 57 lone 6 72 - 9 - Peak 1534 from cnoeabs.peaks (3.34, 1.78, 27.60 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 Peak 1535 from cnoeabs.peaks (3.34, 1.78, 27.60 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HD2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 Peak 1537 from cnoeabs.peaks (4.41, 1.52, 27.60 ppm; 5.75 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 3.8=100 HA PRO 33 + HG3 PRO 57 OK 71 100 - 71 - 1529/1.8=18, 1513/2.3=18...(16) HA ASP 40 - HG3 PRO 57 OK 12 62 - 19 - 1529/1.8=4, ~6280=3...(7) Peak 1538 from cnoeabs.peaks (1.65, 1.52, 27.60 ppm; 3.47 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HG13 ILE 136 + HG3 PRO 57 OK 58 99 - 59 - 1530/1.8=8, 1522/2.3=7...(28) HB2 LYS 114 - HG3 PRO 57 OK 33 100 - 33 - 1530/1.8=5, 1522/2.3=4...(16) HD3 LYS 93 - HG3 PRO 57 OK 32 100 - 32 - 1530/1.8=4, 1522/2.3=4...(15) HB3 LEU 26 - HG3 PRO 57 OK 21 68 - 31 - ~10566=5, ~8262=3...(14) HG2 ARG 124 - HG3 PRO 57 OK 17 72 - 23 - 1530/1.8=2, 1522/2.3=2...(8) HG2 ARG 140 - HG3 PRO 57 lone 8 98 - 8 - 1530/1.8=1, 1522/2.3=1 HB2 MET 68 - HG3 PRO 57 lone 6 77 - 8 - Peak 1539 from cnoeabs.peaks (2.18, 1.52, 27.60 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HG3 PRO 57 OK 76 100 - 76 - 1531/1.8=11, 1515/2.3=10...(28) HB2 MET 46 - HG3 PRO 57 OK 43 81 - 53 - 1531/1.8=6, 1515/2.3=5...(17) HG2 GLU 75 - HG3 PRO 57 OK 34 68 - 51 - 1.8/9927=10, ~11514=9...(15) HB2 MET 113 - HG3 PRO 57 OK 30 81 - 37 - ~3700=5, 1531/1.8=4...(13) HG2 PRO 129 - HG3 PRO 57 OK 20 94 - 20 - 1531/1.8=3, 1515/2.3=2...(9) Peak 1540 from cnoeabs.peaks (1.78, 1.52, 27.60 ppm; 3.32 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 1.8=100 HD3 LYS 34 + HG3 PRO 57 OK 55 89 - 62 - 1524/2.3=6, 1516/2.3=6...(38) HD2 LYS 34 + HG3 PRO 57 OK 54 89 - 61 - 1524/2.3=6, 1516/2.3=6...(38) HG LEU 72 - HG3 PRO 57 OK 26 100 - 26 - 1516/2.3=3, 1524/2.3=3...(13) HB3 ARG 145 - HG3 PRO 57 OK 21 92 - 23 - 1524/2.3=3, ~4948=2...(8) HB3 LYS 24 - HG3 PRO 57 OK 18 68 - 27 - ~10902=5, ~10895=5...(10) HB3 MET 59 - HG3 PRO 57 lone 10 96 - 10 - 10627/10626=2, ~1604=1 HG LEU 39 - HG3 PRO 57 lone 5 81 - 7 - HB3 ARG 55 - HG3 PRO 57 lone 3 89 - 3 - Peak 1541 from cnoeabs.peaks (1.52, 1.52, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 Peak 1542 from cnoeabs.peaks (3.34, 1.52, 27.60 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 Peak 1543 from cnoeabs.peaks (3.34, 1.52, 27.60 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HD2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 Peak 1546 from cnoeabs.peaks (4.43, 4.43, 58.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 58 + HA ILE 58 OK 100 100 - 100 Peak 1547 from cnoeabs.peaks (1.70, 4.43, 58.05 ppm; 4.34 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 58 + HA ILE 58 OK 100 100 - 100 - 3.0=100 HB2 LYS 85 + HA ILE 58 OK 53 100 - 53 - 1563/3.2=7, 1587/4.1=6...(20) HG LEU 26 - HA ILE 58 OK 40 77 - 51 - ~10572=20, 1563/3.2=7...(16) HD2 LYS 86 - HA ILE 58 OK 24 100 - 23 - 6528/3.0=3, 1563/3.2=3...(13) HB3 LEU 95 - HA ILE 58 OK 19 100 - 19 - 1563/3.2=2, 1587/4.1=2...(9) Peak 1548 from cnoeabs.peaks (0.58, 4.43, 58.05 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 58 + HA ILE 58 OK 100 100 - 100 - 3.2=100 QD1 LEU 132 - HA ILE 58 OK 30 89 - 34 - 10412/3.0=5, 1556/3.0=4...(16) QG1 VAL 71 - HA ILE 58 OK 19 99 - 19 - 4.0/11448=4, 1556/3.0=3...(8) QD1 LEU 66 - HA ILE 58 OK 18 100 - 18 - 1556/3.0=3, 1588/4.1=2...(8) Peak 1549 from cnoeabs.peaks (1.28, 4.43, 58.05 ppm; 6.16 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 58 + HA ILE 58 OK 100 100 - 100 - 4.1=100 HG13 ILE 58 + HA ILE 58 OK 98 98 - 100 - 4.1=100 QB ALA 104 - HA ILE 58 OK 25 99 - 25 - 6539/3.6=6, 9203/10955=3...(9) Peak 1550 from cnoeabs.peaks (1.29, 4.43, 58.05 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + HA ILE 58 OK 100 100 - 100 - 4.1=100 HG12 ILE 58 + HA ILE 58 OK 98 98 - 100 - 4.1=100 HG LEU 87 + HA ILE 58 OK 56 81 - 68 - 11003/4.1=22, ~10065=10...(17) HG12 ILE 83 + HA ILE 58 OK 52 62 - 83 - ~10024=47, ~8273=16...(13) QB ALA 104 - HA ILE 58 OK 23 89 - 26 - 6539/3.6=7, 6530/3.0=3...(9) HG3 LYS 24 - HA ILE 58 lone 6 68 - 9 - 6531/3.0=1, 10181/8270=1 Peak 1551 from cnoeabs.peaks (0.56, 4.43, 58.05 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.90: * QD1 ILE 58 + HA ILE 58 OK 90 100 - 90 - 4.1=52, 1567/3.2=31...(19) Peak 1552 from cnoeabs.peaks (8.97, 4.43, 58.05 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.96: * H MET 59 + HA ILE 58 OK 96 100 - 96 - 3.6=91, 1568/3.2=22...(9) H SER 127 - HA ILE 58 OK 16 100 - 16 - 1568/3.2=4, 1560/3.0=4...(5) Peak 1553 from cnoeabs.peaks (8.03, 1.70, 39.04 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 58 + HB ILE 58 OK 100 100 - 100 - 3.9=100 H ARG 144 - HB ILE 58 OK 29 99 - 30 - 6528=6, 1561/2.1=6...(9) H GLN 133 - HB ILE 58 OK 20 89 - 23 - 1561/2.1=8, 1585/3.2=4...(6) Peak 1554 from cnoeabs.peaks (4.43, 1.70, 39.04 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 58 + HB ILE 58 OK 100 100 - 100 - 3.0=100 HA ASN 84 + HB ILE 58 OK 54 100 - 54 - 1554=10, 1562/2.1=10...(18) HA ASP 40 - HB ILE 58 OK 21 92 - 22 - 1554=4, 1562/2.1=4...(10) Peak 1555 from cnoeabs.peaks (1.70, 1.70, 39.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 58 + HB ILE 58 OK 100 100 - 100 Peak 1556 from cnoeabs.peaks (0.58, 1.70, 39.04 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 58 + HB ILE 58 OK 100 100 - 100 - 2.1=100 QD1 LEU 132 - HB ILE 58 OK 23 89 - 26 - 1548/3.0=4, 1588/3.2=3...(13) QD1 LEU 66 - HB ILE 58 OK 16 100 - 16 - 1588/3.2=2, 1548/3.0=2...(9) QG1 VAL 71 - HB ILE 58 OK 14 99 - 15 - 1588/3.2=2, 1548/3.0=2...(7) Peak 1557 from cnoeabs.peaks (1.28, 1.70, 39.04 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 58 + HB ILE 58 OK 100 100 - 100 - 2.9=100 HG13 ILE 58 + HB ILE 58 OK 98 98 - 100 - 2.9=100 QB ALA 104 - HB ILE 58 OK 11 99 - 11 - 1565/2.1=2, 9195/10179=1...(4) Peak 1558 from cnoeabs.peaks (1.29, 1.70, 39.04 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + HB ILE 58 OK 100 100 - 100 - 2.9=100 HG12 ILE 58 + HB ILE 58 OK 98 98 - 100 - 2.9=100 HG LEU 87 - HB ILE 58 OK 40 81 - 49 - 11003/3.2=10, ~10950=8...(19) HG12 ILE 83 - HB ILE 58 OK 28 62 - 45 - ~10024=18, ~8273=6...(13) QB ALA 104 - HB ILE 58 poor 9 89 - 10 - 1565/2.1=2, 6539/4.4=1...(4) HG3 LYS 24 - HB ILE 58 lone 3 68 - 4 - Peak 1559 from cnoeabs.peaks (0.56, 1.70, 39.04 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.96: * QD1 ILE 58 + HB ILE 58 OK 96 100 - 96 - 3.2=79, 1567/2.1=36...(18) Peak 1560 from cnoeabs.peaks (8.97, 1.70, 39.04 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H MET 59 + HB ILE 58 OK 100 100 - 100 - 4.4=100 H SER 127 - HB ILE 58 OK 25 100 - 25 - 1568/2.1=8, 1592/3.2=6...(7) Peak 1561 from cnoeabs.peaks (8.03, 0.58, 16.80 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 58 + QG2 ILE 58 OK 100 100 - 100 - 4.0=100 H GLN 133 - QG2 ILE 58 OK 41 89 - 47 - 4.7/8294=8, 3.8/8273=7...(14) H ARG 144 - QG2 ILE 58 OK 31 99 - 31 - 1553/2.1=8, 1585/3.1=5...(10) Peak 1562 from cnoeabs.peaks (4.43, 0.58, 16.80 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.99: * HA ILE 58 + QG2 ILE 58 OK 99 100 - 99 - 3.2=97, 1551/3.1=23...(23) HA ASN 84 - QG2 ILE 58 OK 31 100 - 31 - 1554/2.1=7, 1586/3.1=6...(13) HA ASP 40 - QG2 ILE 58 OK 13 92 - 14 - 1554/2.1=3, 1586/3.1=3 Peak 1563 from cnoeabs.peaks (1.70, 0.58, 16.80 ppm; 2.86 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 58 + QG2 ILE 58 OK 100 100 - 100 - 2.1=100 HB2 LYS 85 - QG2 ILE 58 OK 31 100 - 31 - 3.0/10416=5, 1563=4...(13) HG LEU 26 - QG2 ILE 58 OK 29 77 - 37 - 2.1/10572=19, 3.0/8275=4...(10) HD2 LYS 86 - QG2 ILE 58 OK 12 100 - 12 - 1587/3.1=1, 1547/3.2=1 HB3 LEU 95 - QG2 ILE 58 OK 11 100 - 10 - 1587/3.1=1, ~3130=1 Peak 1564 from cnoeabs.peaks (0.58, 0.58, 16.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 58 + QG2 ILE 58 OK 100 100 - 100 Peak 1565 from cnoeabs.peaks (1.28, 0.58, 16.80 ppm; 2.93 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 58 + QG2 ILE 58 OK 95 100 - 95 - 3.2=78, 2.1/1567=36...(21) HG13 ILE 58 + QG2 ILE 58 OK 93 98 - 95 - 3.2=78, 2.1/1567=36...(21) QB ALA 104 - QG2 ILE 58 lone 10 99 - 10 - 1557/2.1=1, 1589/3.1=1 Peak 1566 from cnoeabs.peaks (1.29, 0.58, 16.80 ppm; 2.96 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + QG2 ILE 58 OK 96 100 - 96 - 3.2=81, 2.1/1588=36...(22) HG12 ILE 58 + QG2 ILE 58 OK 94 98 - 96 - 3.2=81, 2.1/1567=36...(21) HG LEU 87 - QG2 ILE 58 OK 31 81 - 39 - 11003/3.1=8, ~10950=6...(14) HG12 ILE 83 - QG2 ILE 58 OK 29 62 - 47 - 2.1/10024=29, 1.8/8273=7...(9) QB ALA 104 - QG2 ILE 58 lone 8 89 - 9 - 1557/2.1=1 HG3 LYS 24 - QG2 ILE 58 lone 3 68 - 4 - Peak 1567 from cnoeabs.peaks (0.56, 0.58, 16.80 ppm; 2.50 A): 1 out of 1 assignment used, quality = 0.86: * QD1 ILE 58 + QG2 ILE 58 OK 86 100 - 86 - 3.1=55, 1559/2.1=21...(25) Peak 1568 from cnoeabs.peaks (8.97, 0.58, 16.80 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.83: * H MET 59 + QG2 ILE 58 OK 80 100 - 80 - 4.3=47, 6541/3.1=23...(12) H SER 127 + QG2 ILE 58 OK 16 100 - 16 - 1560/2.1=4, 1592/3.1=4...(4) Peak 1569 from cnoeabs.peaks (8.03, 1.28, 26.45 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 58 + HG12 ILE 58 OK 98 100 - 98 - 4.5=88, ~1551=23...(11) H ILE 58 + HG13 ILE 58 OK 90 92 - 98 - 4.5=88, ~1551=23...(11) H ARG 144 - HG12 ILE 58 OK 26 99 - 26 - 1553/2.9=7, 1585/2.1=6...(8) H ARG 144 - HG13 ILE 58 OK 23 89 - 26 - 1553/2.9=7, 1585/2.1=6...(8) H GLN 133 - HG12 ILE 58 OK 22 89 - 25 - 1561/3.2=7, 1585/2.1=6...(6) H GLN 133 - HG13 ILE 58 OK 19 77 - 25 - 1561/3.2=7, 1585/2.1=6...(6) Peak 1570 from cnoeabs.peaks (4.43, 1.28, 26.45 ppm; 4.35 A): 3 out of 6 assignments used, quality = 1.00: * HA ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 4.1=100 HA ILE 58 + HG13 ILE 58 OK 92 92 - 100 - 4.1=100 HA ASN 84 + HG12 ILE 58 OK 45 100 - 45 - 1586/2.1=12, 1554/2.9=11...(9) HA ASN 84 - HG13 ILE 58 OK 39 92 - 43 - 1586/2.1=12, 1554/2.9=11...(8) HA ASP 40 - HG12 ILE 58 OK 16 92 - 18 - 1586/2.1=5, 1554/2.9=4...(6) HA ASP 40 - HG13 ILE 58 OK 14 80 - 18 - 1586/2.1=5, 1554/2.9=4...(6) Peak 1571 from cnoeabs.peaks (1.70, 1.28, 26.45 ppm; 3.41 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 2.9=100 HB ILE 58 + HG13 ILE 58 OK 92 92 - 100 - 2.9=100 HB2 LYS 85 - HG12 ILE 58 OK 32 100 - 33 - 1587/2.1=6, 1563/3.2=5...(15) HB2 LYS 85 - HG13 ILE 58 OK 29 92 - 32 - 1587/2.1=6, 1563/3.2=5...(13) HG LEU 26 - HG12 ILE 58 OK 25 77 - 33 - ~10572=12, 1587/2.1=5...(12) HG LEU 26 - HG13 ILE 58 OK 21 65 - 33 - ~10572=12, 1587/2.1=5...(12) HB3 LEU 95 - HG12 ILE 58 OK 14 100 - 14 - 1587/2.1=2, 3.1/10117=2...(6) HB3 LEU 95 - HG13 ILE 58 OK 13 91 - 14 - 1587/2.1=2, 3.1/10117=2...(6) HD2 LYS 86 - HG12 ILE 58 OK 12 100 - 12 - 1587/2.1=2, 1563/3.2=2...(4) HD2 LYS 86 - HG13 ILE 58 OK 11 92 - 12 - 1587/2.1=2, 1563/3.2=2...(4) Peak 1572 from cnoeabs.peaks (0.58, 1.28, 26.45 ppm; 2.98 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 58 + HG12 ILE 58 OK 97 100 - 97 - 3.2=83, 1567/2.1=37...(21) QG2 ILE 58 + HG13 ILE 58 OK 89 92 - 97 - 3.2=83, 1588/2.1=37...(21) QD1 LEU 132 - HG12 ILE 58 OK 18 89 - 20 - 1588/2.1=5, 1556/2.9=3...(7) QD1 LEU 132 - HG13 ILE 58 OK 15 77 - 20 - 1588/2.1=5, 1556/2.9=3...(7) QD1 LEU 66 - HG12 ILE 58 OK 13 100 - 13 - 1588/2.1=4, 1556/2.9=3...(4) QD1 LEU 66 - HG13 ILE 58 OK 12 91 - 13 - 1588/2.1=4, 1556/2.9=3...(4) QG1 VAL 71 - HG12 ILE 58 OK 12 99 - 12 - 1588/2.1=4, 1556/2.9=2...(4) QG1 VAL 71 - HG13 ILE 58 poor 9 89 - 11 - 1588/2.1=4, 1556/2.9=2 Peak 1573 from cnoeabs.peaks (1.28, 1.28, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 58 + HG12 ILE 58 OK 100 100 - 100 HG13 ILE 58 + HG13 ILE 58 OK 87 87 - 100 Peak 1574 from cnoeabs.peaks (1.29, 1.28, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 58 + HG12 ILE 58 OK 98 98 - 100 HG13 ILE 58 + HG13 ILE 58 OK 92 92 - 100 Reference assignment not found: HG13 ILE 58 - HG12 ILE 58 Peak 1575 from cnoeabs.peaks (0.56, 1.28, 26.45 ppm; 2.95 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 2.1=100 QD1 ILE 58 + HG13 ILE 58 OK 92 92 - 100 - 2.1=100 Peak 1577 from cnoeabs.peaks (8.03, 1.29, 26.45 ppm; 4.56 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 4.5=100 H ILE 58 + HG12 ILE 58 OK 92 92 - 100 - 4.5=100 H ARG 144 - HG13 ILE 58 OK 28 99 - 29 - 1553/2.9=7, 1585/2.1=7...(8) H ARG 144 - HG12 ILE 58 OK 26 89 - 29 - 1553/2.9=7, 1585/2.1=7...(8) H GLN 133 - HG13 ILE 58 OK 25 89 - 28 - 1561/3.2=8, 1585/2.1=7...(6) H GLN 133 - HG12 ILE 58 OK 21 77 - 27 - 1561/3.2=8, 1585/2.1=7...(6) Peak 1578 from cnoeabs.peaks (4.43, 1.29, 26.45 ppm; 4.42 A): 3 out of 6 assignments used, quality = 1.00: * HA ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 4.1=100 HA ILE 58 + HG12 ILE 58 OK 92 92 - 100 - 4.1=100 HA ASN 84 + HG13 ILE 58 OK 46 100 - 46 - 1586/2.1=12, 1554/2.9=11...(9) HA ASN 84 - HG12 ILE 58 OK 42 92 - 46 - 1586/2.1=12, 1554/2.9=11...(9) HA ASP 40 - HG13 ILE 58 OK 17 92 - 18 - 1586/2.1=5, 1554/2.9=4...(6) HA ASP 40 - HG12 ILE 58 OK 14 80 - 18 - 1586/2.1=5, 1554/2.9=4...(6) Peak 1579 from cnoeabs.peaks (1.70, 1.29, 26.45 ppm; 3.44 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 2.9=100 HB ILE 58 + HG12 ILE 58 OK 92 92 - 100 - 2.9=100 HB2 LYS 85 - HG13 ILE 58 OK 33 100 - 33 - 1587/2.1=6, 1563/3.2=5...(13) HB2 LYS 85 - HG12 ILE 58 OK 30 92 - 33 - 1587/2.1=6, 1563/3.2=5...(13) HG LEU 26 - HG13 ILE 58 OK 26 77 - 33 - ~10572=12, 1587/2.1=5...(13) HG LEU 26 - HG12 ILE 58 OK 22 65 - 33 - ~10572=12, 1587/2.1=5...(13) HB3 LEU 95 - HG13 ILE 58 OK 15 100 - 14 - 1587/2.1=2, 1563/3.2=2...(6) HB3 LEU 95 - HG12 ILE 58 OK 13 91 - 14 - 1587/2.1=2, 3.1/10117=2...(6) HD2 LYS 86 - HG13 ILE 58 OK 12 100 - 12 - 1587/2.1=2, 1563/3.2=2...(4) HD2 LYS 86 - HG12 ILE 58 OK 11 92 - 12 - 1587/2.1=2, 1563/3.2=2...(4) Peak 1580 from cnoeabs.peaks (0.58, 1.29, 26.45 ppm; 3.00 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 58 + HG13 ILE 58 OK 97 100 - 97 - 3.2=84, 1567/2.1=37...(22) QG2 ILE 58 + HG12 ILE 58 OK 89 92 - 97 - 3.2=84, 1588/2.1=37...(21) QD1 LEU 132 - HG13 ILE 58 OK 19 89 - 21 - 1588/2.1=5, 1556/2.9=4...(7) QD1 LEU 132 - HG12 ILE 58 OK 15 77 - 20 - 1588/2.1=5, 1556/2.9=4...(7) QD1 LEU 66 - HG13 ILE 58 OK 14 100 - 14 - 1588/2.1=4, 1556/2.9=3...(4) QD1 LEU 66 - HG12 ILE 58 OK 12 91 - 13 - 1588/2.1=4, 1556/2.9=3...(4) QG1 VAL 71 - HG13 ILE 58 OK 12 99 - 12 - 1588/2.1=4, 1556/2.9=2 QG1 VAL 71 - HG12 ILE 58 OK 10 89 - 12 - 1588/2.1=4, 1556/2.9=2...(4) Peak 1581 from cnoeabs.peaks (1.28, 1.29, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 58 + HG13 ILE 58 OK 98 98 - 100 HG12 ILE 58 + HG12 ILE 58 OK 92 92 - 100 Reference assignment not found: HG12 ILE 58 - HG13 ILE 58 Peak 1582 from cnoeabs.peaks (1.29, 1.29, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 58 + HG13 ILE 58 OK 100 100 - 100 HG12 ILE 58 + HG12 ILE 58 OK 87 87 - 100 Peak 1583 from cnoeabs.peaks (0.56, 1.29, 26.45 ppm; 3.01 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 2.1=100 QD1 ILE 58 + HG12 ILE 58 OK 92 92 - 100 - 2.1=100 Peak 1585 from cnoeabs.peaks (8.03, 0.56, 11.03 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 58 + QD1 ILE 58 OK 99 100 - 99 - 4.9=89, 3.0/1551=44...(11) H ARG 144 - QD1 ILE 58 OK 34 99 - 34 - 1553/3.2=7, 6532=7...(8) H GLN 133 - QD1 ILE 58 OK 31 89 - 35 - 1561/3.1=9, 4.7/10578=6...(8) Peak 1586 from cnoeabs.peaks (4.43, 0.56, 11.03 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.94: * HA ILE 58 + QD1 ILE 58 OK 89 100 - 89 - 4.1=50, 3.2/1588=30...(19) HA ASN 84 + QD1 ILE 58 OK 36 100 - 36 - 1586=11, 1554/3.2=6...(12) HA ASP 40 + QD1 ILE 58 OK 15 92 - 16 - 1586=4, 1562/3.1=2...(8) Peak 1587 from cnoeabs.peaks (1.70, 0.56, 11.03 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 58 + QD1 ILE 58 OK 100 100 - 100 - 3.2=100 HB2 LYS 85 - QD1 ILE 58 OK 36 100 - 36 - 1563/3.1=5...(17) HG LEU 26 - QD1 ILE 58 OK 27 77 - 35 - ~10572=12, 1563/3.1=5...(12) HB3 LEU 95 - QD1 ILE 58 OK 14 100 - 14 - 1563/3.1=2, 3.1/943=1...(7) HD2 LYS 86 - QD1 ILE 58 OK 13 100 - 13 - 1563/3.1=2, 1547/4.1=1...(5) Peak 1588 from cnoeabs.peaks (0.58, 0.56, 11.03 ppm; 2.50 A): 4 out of 4 assignments used, quality = 0.91: * QG2 ILE 58 + QD1 ILE 58 OK 87 100 - 87 - 3.1=55, 2.1/1559=21...(26) QD1 LEU 132 + QD1 ILE 58 OK 17 89 - 19 - 1556/3.2=2, 1548/4.1=2...(7) QD1 LEU 66 + QD1 ILE 58 OK 12 100 - 12 - 1556/3.2=2, 1580/2.1=1 QG1 VAL 71 + QD1 ILE 58 OK 12 99 - 13 - 4.0/9812=2, 8638/9850=2...(4) Peak 1589 from cnoeabs.peaks (1.28, 0.56, 11.03 ppm; 2.83 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 58 + QD1 ILE 58 OK 100 100 - 100 - 2.1=100 HG13 ILE 58 + QD1 ILE 58 OK 98 98 - 100 - 2.1=100 QB ALA 104 - QD1 ILE 58 lone 9 99 - 9 - 9195/10135=1, 1565/3.1=1 Peak 1590 from cnoeabs.peaks (1.29, 0.56, 11.03 ppm; 2.89 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + QD1 ILE 58 OK 100 100 - 100 - 2.1=100 HG12 ILE 58 + QD1 ILE 58 OK 98 98 - 100 - 2.1=100 HG LEU 87 - QD1 ILE 58 OK 35 81 - 43 - 2.1/10950=15, 11003=8...(15) HG12 ILE 83 - QD1 ILE 58 OK 16 62 - 25 - ~10024=8, ~8273=3...(10) QB ALA 104 - QD1 ILE 58 lone 8 89 - 8 - 9195/10135=1, 1565/3.1=1 HG3 LYS 24 - QD1 ILE 58 lone 3 68 - 4 - Peak 1591 from cnoeabs.peaks (0.56, 0.56, 11.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 58 + QD1 ILE 58 OK 100 100 - 100 Peak 1592 from cnoeabs.peaks (8.97, 0.56, 11.03 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.93: * H MET 59 + QD1 ILE 58 OK 92 100 - 92 - 6541=50, 3.6/1551=32...(16) H SER 127 + QD1 ILE 58 OK 20 100 - 20 - 1568/3.1=6, 1560/3.2=5...(6) Peak 1593 from cnoeabs.peaks (8.97, 4.56, 54.90 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H MET 59 + HA MET 59 OK 100 100 - 100 - 3.0=100 H SER 127 - HA MET 59 lone 9 100 - 9 - 1552/4.8=3, 1568/8293=2...(4) Peak 1594 from cnoeabs.peaks (4.56, 4.56, 54.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 59 + HA MET 59 OK 100 100 - 100 Peak 1595 from cnoeabs.peaks (1.92, 4.56, 54.90 ppm; 3.71 A): 2 out of 13 assignments used, quality = 1.00: * HB2 MET 59 + HA MET 59 OK 100 100 - 100 - 3.0=100 HG13 ILE 83 + HA MET 59 OK 46 98 - 47 - 3.2/8301=9, 3.0/1596=7...(19) HB3 LEU 132 - HA MET 59 OK 21 98 - 22 - 3.6/7658=4, 6543/3.0=3...(10) HB ILE 136 - HA MET 59 OK 18 94 - 19 - 1611/3.0=2, 1635/4.6=2...(9) HB2 GLN 62 - HA MET 59 OK 14 94 - 15 - 2.9/10931=2, 2.9/10931=2...(5) HG2 PRO 12 - HA MET 59 OK 13 94 - 13 - 1611/3.0=2, ~1611=1 HG3 PRO 12 - HA MET 59 OK 12 99 - 12 - 1611/3.0=2, ~1611=1 HB2 LYS 86 - HA MET 59 OK 12 100 - 11 - 1611/3.0=1, 6543/3.0=1 HB2 PRO 118 - HA MET 59 lone 7 100 - 7 - HB3 LEU 69 - HA MET 59 lone 6 68 - 9 - 1635/4.6=2, 1611/3.0=1 QE MET 68 - HA MET 59 lone 5 77 - 6 - HB2 ARG 140 - HA MET 59 lone 3 92 - 4 - HB2 ARG 89 - HA MET 59 lone 2 68 - 3 - Peak 1596 from cnoeabs.peaks (1.78, 4.56, 54.90 ppm; 4.36 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 59 + HA MET 59 OK 100 100 - 100 - 3.0=100 HG LEU 72 - HA MET 59 OK 31 94 - 33 - 1604/3.0=6, 1636/4.6=4...(15) HG2 PRO 57 - HA MET 59 OK 17 96 - 18 - 6544/3.0=3, 1604/3.0=3...(6) HG LEU 39 - HA MET 59 OK 17 98 - 17 - 1604/3.0=3, 6544/3.0=2...(7) HB3 ARG 55 - HA MET 59 OK 11 100 - 11 - 1604/3.0=2, 6544/3.0=1...(4) HB3 ARG 35 - HA MET 59 lone 8 85 - 9 - 1604/3.0=1 HD3 LYS 34 - HA MET 59 lone 6 62 - 9 - 10523/3.7=1, 1604/3.0=1 HD2 LYS 34 - HA MET 59 lone 5 62 - 8 - 1604/3.0=1 HB3 ARG 145 - HA MET 59 lone 2 68 - 2 - Peak 1597 from cnoeabs.peaks (2.38, 4.56, 54.90 ppm; 4.61 A): 2 out of 7 assignments used, quality = 1.00: * HG2 MET 59 + HA MET 59 OK 100 100 - 100 - 3.7=100 HG3 MET 59 + HA MET 59 OK 99 99 - 100 - 3.7=100 HG2 GLN 25 - HA MET 59 OK 39 99 - 39 - 8361/8301=5, 223/3.7=5...(16) HB ILE 91 - HA MET 59 OK 34 99 - 34 - 1606/3.0=5, ~8972=5...(11) HG3 MET 11 - HA MET 59 OK 22 92 - 24 - 1605/3.0=3, 1613/3.0=2...(12) HG3 GLU 37 - HA MET 59 OK 20 100 - 20 - 8328/10411=5, 1605/3.0=3...(8) HG2 MET 46 - HA MET 59 OK 10 98 - 10 - 1605/3.0=2, 1613/3.0=2 Peak 1598 from cnoeabs.peaks (2.39, 4.56, 54.90 ppm; 4.61 A): 2 out of 8 assignments used, quality = 1.00: * HG3 MET 59 + HA MET 59 OK 100 100 - 100 - 3.7=100 HG2 MET 59 + HA MET 59 OK 99 99 - 100 - 3.7=100 HG2 GLN 25 - HA MET 59 OK 40 100 - 40 - 8361/8301=5, 223/3.7=5...(16) HB ILE 91 - HA MET 59 OK 34 100 - 34 - 1606/3.0=5, ~8972=5...(11) HG3 GLU 37 - HA MET 59 OK 18 99 - 19 - 8328/10411=4, 1605/3.0=2...(8) HG3 MET 11 - HA MET 59 OK 18 77 - 23 - 1605/3.0=3, 1613/3.0=2...(12) HG3 GLN 25 - HA MET 59 OK 15 68 - 23 - 1605/3.0=3, 1613/3.0=3...(9) HG2 MET 46 - HA MET 59 OK 10 100 - 10 - 1605/3.0=2, 1613/3.0=2 Peak 1599 from cnoeabs.peaks (1.99, 4.56, 54.90 ppm; 4.00 A): 5 out of 10 assignments used, quality = 0.94: * QE MET 59 + HA MET 59 OK 83 100 - 83 - 4.6=65, 1607/3.0=17...(7) HB VAL 63 + HA MET 59 OK 48 100 - 48 - 2.1/8301=13, ~8298=8...(10) QE MET 113 + HA MET 59 OK 13 100 - 13 - 1607/3.0=2, 1615/3.0=2...(4) HB2 GLN 111 + HA MET 59 OK 12 92 - 13 - 1607/3.0=2, 1615/3.0=2 QE MET 11 + HA MET 59 OK 11 72 - 16 - 1607/3.0=2, 1615/3.0=2...(5) HB3 GLU 75 - HA MET 59 lone 5 72 - 7 - 8638/8293=1 HG3 PRO 52 - HA MET 59 lone 5 77 - 6 - 1607/3.0=1, 1615/3.0=1 HB2 GLU 142 - HA MET 59 lone 4 98 - 4 - HG3 GLU 122 - HA MET 59 lone 1 62 - 2 - HB3 ARG 124 - HA MET 59 lone 1 62 - 2 - Peak 1600 from cnoeabs.peaks (9.31, 4.56, 54.90 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 60 + HA MET 59 OK 100 100 - 100 - 3.6=100 Peak 1602 from cnoeabs.peaks (4.56, 1.92, 35.50 ppm; 4.59 A): 2 out of 5 assignments used, quality = 1.00: * HA MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HA LEU 97 + HB2 MET 59 OK 60 92 - 65 - 1610/1.8=13...(16) HA PRO 98 - HB2 MET 59 OK 25 72 - 34 - 8311/4.8=13, 6551/4.1=6...(10) HA ASN 130 - HB2 MET 59 OK 20 81 - 24 - 1610/1.8=5, 6542/3.9=3...(11) HA GLU 28 - HB2 MET 59 lone 6 72 - 8 - 8311/4.8=2, 1610/1.8=1 Peak 1603 from cnoeabs.peaks (1.92, 1.92, 35.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 59 + HB2 MET 59 OK 100 100 - 100 Peak 1604 from cnoeabs.peaks (1.78, 1.92, 35.50 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 59 + HB2 MET 59 OK 100 100 - 100 - 1.8=100 HG LEU 72 - HB2 MET 59 OK 26 94 - 28 - 2.1/9949=3, 1596/3.0=3...(16) HG LEU 39 - HB2 MET 59 OK 12 98 - 12 - 1596/3.0=2, 1636/4.2=1, ~865=1 HG2 PRO 57 - HB2 MET 59 OK 12 96 - 13 - 1596/3.0=2, 11016/8299=2...(4) HB3 ARG 55 - HB2 MET 59 lone 7 100 - 7 - 1596/3.0=1 HB3 ARG 35 - HB2 MET 59 lone 6 85 - 7 - HD3 LYS 34 - HB2 MET 59 lone 6 62 - 9 - ~10522=1 HD2 LYS 34 - HB2 MET 59 lone 5 62 - 8 - ~10522=1 HB3 ARG 145 - HB2 MET 59 lone 1 68 - 2 - Peak 1605 from cnoeabs.peaks (2.38, 1.92, 35.50 ppm; 4.11 A): 3 out of 7 assignments used, quality = 1.00: * HG2 MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HG3 MET 59 + HB2 MET 59 OK 99 99 - 100 - 3.0=100 HB ILE 91 + HB2 MET 59 OK 47 99 - 47 - ~8972=6, ~8972=5...(20) HG2 GLN 25 - HB2 MET 59 OK 42 99 - 42 - 223/3.0=5, 223/3.0=4...(23) HG3 MET 11 - HB2 MET 59 OK 25 92 - 27 - 8328/4.8=5, 1613/1.8=2...(11) HG3 GLU 37 - HB2 MET 59 OK 24 100 - 24 - 8328/4.8=11, 1613/1.8=2...(6) HG2 MET 46 - HB2 MET 59 OK 18 98 - 18 - ~1078=2, 1613/1.8=2...(8) Peak 1606 from cnoeabs.peaks (2.39, 1.92, 35.50 ppm; 4.11 A): 3 out of 8 assignments used, quality = 1.00: * HG3 MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HG2 MET 59 + HB2 MET 59 OK 99 99 - 100 - 3.0=100 HB ILE 91 + HB2 MET 59 OK 47 100 - 47 - ~8972=6, ~8972=5...(20) HG2 GLN 25 - HB2 MET 59 OK 43 100 - 43 - 223/3.0=5, 223/3.0=4...(23) HG3 GLU 37 - HB2 MET 59 OK 23 99 - 23 - 8328/4.8=11, 1613/1.8=2...(6) HG3 GLN 25 - HB2 MET 59 OK 20 68 - 30 - ~1613=3, ~1614=3...(16) HG3 MET 11 - HB2 MET 59 OK 20 77 - 26 - 8328/4.8=5, 1613/1.8=2...(11) HG2 MET 46 - HB2 MET 59 OK 19 100 - 18 - ~1078=2, 1613/1.8=2...(8) Peak 1607 from cnoeabs.peaks (1.99, 1.92, 35.50 ppm; 3.48 A): 3 out of 10 assignments used, quality = 0.87: * QE MET 59 + HB2 MET 59 OK 78 100 - 78 - 4.2=56, 1636/1.8=18...(8) HB VAL 63 + HB2 MET 59 OK 32 100 - 33 - 1599/3.0=6, 1615/1.8=6...(11) QE MET 113 + HB2 MET 59 OK 11 100 - 11 - 1615/1.8=2, 1599/3.0=2 HB2 GLN 111 - HB2 MET 59 poor 10 92 - 11 - 1615/1.8=2, 1599/3.0=1 QE MET 11 - HB2 MET 59 poor 9 72 - 12 - 1615/1.8=2, 3.3/1605=1...(4) HG3 PRO 52 - HB2 MET 59 lone 6 77 - 7 - ~10455=1, ~10453=1, 1615/1.8=1 HB3 GLU 75 - HB2 MET 59 lone 3 72 - 5 - HB2 GLU 142 - HB2 MET 59 lone 3 98 - 3 - HB3 ARG 124 - HB2 MET 59 lone 1 62 - 2 - HG3 GLU 122 - HB2 MET 59 lone 1 62 - 2 - Peak 1610 from cnoeabs.peaks (4.56, 1.78, 35.50 ppm; 4.69 A): 2 out of 5 assignments used, quality = 1.00: * HA MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HA LEU 97 + HB3 MET 59 OK 57 92 - 63 - 1602/1.8=12, 1634/4.2=11...(14) HA PRO 98 - HB3 MET 59 OK 24 72 - 33 - 8311/4.8=14, 6551/4.1=7...(10) HA ASN 130 - HB3 MET 59 OK 19 81 - 23 - 1602/1.8=5, 6542/3.9=3...(11) HA GLU 28 - HB3 MET 59 lone 6 72 - 7 - 8311/4.8=2, 1602/1.8=1 Peak 1611 from cnoeabs.peaks (1.92, 1.78, 35.50 ppm; 3.46 A): 2 out of 13 assignments used, quality = 1.00: * HB2 MET 59 + HB3 MET 59 OK 100 100 - 100 - 1.8=100 HG13 ILE 83 + HB3 MET 59 OK 48 98 - 49 - 3.2/8300=5, ~10413=5...(23) HB ILE 136 - HB3 MET 59 OK 19 94 - 20 - 8326/4.8=4, 1635/4.2=2...(6) HG2 PRO 12 - HB3 MET 59 OK 14 94 - 15 - 1595/3.0=1, 96/1.8=1 HB3 LEU 132 - HB3 MET 59 OK 14 98 - 14 - 8326/4.8=3, 1595/3.0=2...(5) HG3 PRO 12 - HB3 MET 59 OK 13 99 - 13 - 1595/3.0=1 HB2 LYS 86 - HB3 MET 59 OK 11 100 - 11 - 1595/3.0=1 HB2 GLN 62 - HB3 MET 59 lone 9 94 - 10 - 6543/3.9=1, 1595/3.0=1, ~10931=1 HB2 PRO 118 - HB3 MET 59 lone 7 100 - 7 - HB3 LEU 69 - HB3 MET 59 lone 6 68 - 9 - 1635/4.2=2, 1595/3.0=1 QE MET 68 - HB3 MET 59 lone 5 77 - 7 - HB2 ARG 140 - HB3 MET 59 lone 3 92 - 3 - HB2 ARG 89 - HB3 MET 59 lone 2 68 - 3 - Peak 1612 from cnoeabs.peaks (1.78, 1.78, 35.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 59 + HB3 MET 59 OK 100 100 - 100 Peak 1613 from cnoeabs.peaks (2.38, 1.78, 35.50 ppm; 4.43 A): 4 out of 7 assignments used, quality = 1.00: * HG2 MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HG3 MET 59 + HB3 MET 59 OK 99 99 - 100 - 3.0=100 HB ILE 91 + HB3 MET 59 OK 47 99 - 48 - 2.1/8972=9, 3.0/8963=6...(19) HG2 GLN 25 + HB3 MET 59 OK 45 99 - 46 - 1605/1.8=5, 223/3.0=5...(21) HG3 MET 11 - HB3 MET 59 OK 26 92 - 28 - 8328/4.8=6, 1605/1.8=3...(12) HG3 GLU 37 - HB3 MET 59 OK 26 100 - 26 - 8328/4.8=13, 1605/1.8=3...(6) HG2 MET 46 - HB3 MET 59 OK 21 98 - 21 - 1605/1.8=3, ~1078=3...(11) Peak 1614 from cnoeabs.peaks (2.39, 1.78, 35.50 ppm; 4.43 A): 4 out of 8 assignments used, quality = 1.00: * HG3 MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HG2 MET 59 + HB3 MET 59 OK 99 99 - 100 - 3.0=100 HB ILE 91 + HB3 MET 59 OK 48 100 - 48 - 2.1/8972=9, 3.0/8963=6...(19) HG2 GLN 25 + HB3 MET 59 OK 46 100 - 46 - 223/3.0=5, 1606/1.8=5...(21) HG3 GLU 37 - HB3 MET 59 OK 24 99 - 25 - 8328/4.8=12, 1605/1.8=3...(6) HG3 GLN 25 - HB3 MET 59 OK 23 68 - 34 - ~1605=4, ~1606=4...(16) HG2 MET 46 - HB3 MET 59 OK 21 100 - 21 - 1605/1.8=3, ~1078=3...(11) HG3 MET 11 - HB3 MET 59 OK 21 77 - 27 - 8328/4.8=6, 1605/1.8=3...(12) Peak 1615 from cnoeabs.peaks (1.99, 1.78, 35.50 ppm; 4.13 A): 1 out of 10 assignments used, quality = 0.97: * QE MET 59 + HB3 MET 59 OK 97 100 - 97 - 4.2=93, 1607/1.8=23...(10) HB VAL 63 - HB3 MET 59 OK 43 100 - 43 - 1607/1.8=9, 1599/3.0=8...(11) HB2 GLN 111 - HB3 MET 59 OK 14 92 - 15 - 1607/1.8=3, 1599/3.0=2...(5) QE MET 113 - HB3 MET 59 OK 13 100 - 13 - 1607/1.8=3, 1599/3.0=2...(5) QE MET 11 - HB3 MET 59 OK 11 72 - 16 - 1607/1.8=3, 1599/3.0=2...(6) HG3 PRO 52 - HB3 MET 59 lone 7 77 - 9 - ~10455=2, ~10453=2, 1607/1.8=2 HB3 GLU 75 - HB3 MET 59 lone 5 72 - 7 - 3.9/11680=1, 1607/1.8=1 HB2 GLU 142 - HB3 MET 59 lone 4 98 - 4 - 1607/1.8=1 HB3 ARG 124 - HB3 MET 59 lone 2 62 - 3 - HG3 GLU 122 - HB3 MET 59 lone 1 62 - 2 - Peak 1618 from cnoeabs.peaks (4.56, 2.38, 32.38 ppm; 3.98 A): 3 out of 10 assignments used, quality = 1.00: * HA MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.7=100 HA MET 59 + HG3 MET 59 OK 96 96 - 100 - 3.7=100 HA LEU 97 + HG2 MET 59 OK 48 92 - 52 - 1634/3.4=9, 1610/3.0=8...(14) HA LEU 97 - HG3 MET 59 OK 40 84 - 48 - 1634/3.4=9, 1610/3.0=8...(12) HA PRO 98 - HG2 MET 59 OK 13 72 - 18 - 6551/4.6=4, 1602/3.0=3...(8) HA PRO 98 - HG3 MET 59 OK 11 65 - 17 - 6551/4.6=4, 1602/3.0=3...(7) HA ASN 130 - HG2 MET 59 poor 9 81 - 11 - 1610/3.0=3, 1602/3.0=3...(4) HA ASN 130 - HG3 MET 59 poor 8 74 - 11 - 1610/3.0=3, 1602/3.0=3...(4) HA GLU 28 - HG2 MET 59 lone 3 72 - 4 - HA GLU 28 - HG3 MET 59 lone 3 65 - 4 - Peak 1619 from cnoeabs.peaks (1.92, 2.38, 32.38 ppm; 3.65 A): 4 out of 26 assignments used, quality = 1.00: * HB2 MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.0=100 HB2 MET 59 + HG3 MET 59 OK 96 96 - 100 - 3.0=100 HG13 ILE 83 + HG2 MET 59 OK 55 98 - 56 - 1.8/10413=10, ~10413=7...(25) HG13 ILE 83 + HG3 MET 59 OK 51 92 - 56 - 1.8/10413=10, ~10413=7...(25) HB ILE 136 - HG2 MET 59 OK 27 94 - 28 - 1635/3.4=3, 1611/3.0=2...(15) HB ILE 136 - HG3 MET 59 OK 24 87 - 28 - 1635/3.4=3, 1611/3.0=2...(15) HB3 LEU 132 - HG2 MET 59 OK 14 98 - 15 - 1635/3.4=2, 1595/3.7=2...(6) HG2 PRO 12 - HG2 MET 59 OK 14 94 - 14 - 1611/3.0=2, 1635/3.4=1 HB3 LEU 132 - HG3 MET 59 OK 13 92 - 14 - 1635/3.4=2, 1595/3.7=2...(6) HG2 PRO 12 - HG3 MET 59 OK 13 87 - 15 - 1611/3.0=2, ~8002=1...(4) HG3 PRO 12 - HG2 MET 59 OK 12 99 - 12 - 1611/3.0=2, 1635/3.4=1 HG3 PRO 12 - HG3 MET 59 OK 12 93 - 13 - 1611/3.0=2, ~8002=1...(4) HB2 LYS 86 - HG2 MET 59 OK 11 100 - 11 - 1611/3.0=1, 1595/3.7=1 HB2 LYS 86 - HG3 MET 59 OK 10 94 - 11 - 1611/3.0=1, 1595/3.7=1 HB2 PRO 118 - HG2 MET 59 lone 10 100 - 9 - 1635/3.4=1, ~10402=1 HB3 LEU 69 - HG2 MET 59 poor 9 68 - 13 - 1635/3.4=3, 1611/3.0=1, ~10401=1 HB2 PRO 118 - HG3 MET 59 lone 8 95 - 9 - 1635/3.4=1, ~10402=1 HB3 LEU 69 - HG3 MET 59 poor 8 60 - 13 - 1635/3.4=3, 1611/3.0=1, ~10401=1 HB2 GLN 62 - HG2 MET 59 lone 8 94 - 8 - 6543/4.7=1, 1595/3.7=1 HB2 GLN 62 - HG3 MET 59 lone 7 87 - 8 - 6543/4.7=1, 1595/3.7=1 QE MET 68 - HG2 MET 59 lone 4 77 - 5 - 1635/3.4=1 HB2 ARG 140 - HG2 MET 59 lone 4 92 - 4 - QE MET 68 - HG3 MET 59 lone 4 70 - 5 - 1635/3.4=1 HB2 ARG 140 - HG3 MET 59 lone 3 84 - 4 - HB2 ARG 89 - HG2 MET 59 lone 2 68 - 3 - HB2 ARG 89 - HG3 MET 59 lone 2 60 - 3 - Peak 1620 from cnoeabs.peaks (1.78, 2.38, 32.38 ppm; 3.93 A): 2 out of 18 assignments used, quality = 1.00: * HB3 MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.0=100 HB3 MET 59 + HG3 MET 59 OK 96 96 - 100 - 3.0=100 HG LEU 72 - HG2 MET 59 OK 32 94 - 34 - 1604/3.0=5, 1636/3.4=4...(17) HG LEU 72 - HG3 MET 59 OK 29 87 - 34 - 1604/3.0=5, 1636/3.4=4...(17) HG2 PRO 57 - HG2 MET 59 OK 17 96 - 18 - 8267/8374=2, 1604/3.0=2...(7) HG2 PRO 57 - HG3 MET 59 OK 16 90 - 18 - 8267/8374=2, 1604/3.0=2...(7) HG LEU 39 - HG2 MET 59 OK 14 98 - 14 - 1604/3.0=2, 1596/3.7=2 HG LEU 39 - HG3 MET 59 OK 13 92 - 14 - 1604/3.0=2, 1596/3.7=2 HD3 LYS 34 - HG2 MET 59 OK 11 62 - 18 - 2.9/10522=3, ~10522=2...(7) HD2 LYS 34 - HG2 MET 59 OK 10 62 - 17 - 2.9/10522=3, ~10522=2, ~10523=1 HD3 LYS 34 - HG3 MET 59 poor 10 56 - 17 - 2.9/10522=3, ~10522=2...(7) HB3 ARG 55 - HG2 MET 59 lone 9 100 - 9 - 1604/3.0=1, 1596/3.7=1 HD2 LYS 34 - HG3 MET 59 poor 9 56 - 16 - 2.9/10522=3, ~10522=2 HB3 ARG 55 - HG3 MET 59 lone 9 94 - 9 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 35 - HG2 MET 59 lone 7 85 - 8 - 1604/3.0=1 HB3 ARG 35 - HG3 MET 59 lone 7 78 - 8 - 1604/3.0=1 HB3 ARG 145 - HG2 MET 59 lone 1 68 - 2 - HB3 ARG 145 - HG3 MET 59 lone 1 60 - 2 - Peak 1621 from cnoeabs.peaks (2.38, 2.38, 32.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 59 + HG2 MET 59 OK 100 100 - 100 HG3 MET 59 + HG3 MET 59 OK 93 93 - 100 Peak 1622 from cnoeabs.peaks (2.39, 2.38, 32.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 MET 59 + HG2 MET 59 OK 99 99 - 100 HG3 MET 59 + HG3 MET 59 OK 96 96 - 100 Reference assignment not found: HG3 MET 59 - HG2 MET 59 Peak 1623 from cnoeabs.peaks (1.99, 2.38, 32.38 ppm; 3.57 A): 2 out of 20 assignments used, quality = 1.00: * QE MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.4=100 QE MET 59 + HG3 MET 59 OK 96 96 - 100 - 3.4=100 HB VAL 63 - HG2 MET 59 OK 43 100 - 43 - 2.1/8360=7, 1607/3.0=6...(17) HB VAL 63 - HG3 MET 59 OK 40 95 - 42 - 2.1/8360=6, 1607/3.0=6...(17) QE MET 11 - HG2 MET 59 OK 14 72 - 20 - 46=2, 1607/3.0=2...(9) HB2 GLN 111 - HG2 MET 59 OK 14 92 - 15 - 1607/3.0=2, 1615/3.0=2 HB2 GLN 111 - HG3 MET 59 OK 13 84 - 15 - 1607/3.0=2, 1615/3.0=2 QE MET 113 - HG2 MET 59 OK 12 100 - 12 - 1607/3.0=2, 1615/3.0=1 QE MET 11 - HG3 MET 59 OK 12 65 - 18 - 46/1.8=2, 1607/3.0=2...(6) QE MET 113 - HG3 MET 59 OK 11 94 - 12 - 1607/3.0=2, 1615/3.0=1 HG3 PRO 52 - HG2 MET 59 OK 10 77 - 13 - ~10455=2, 2.3/10455=2...(5) HG3 PRO 52 - HG3 MET 59 poor 9 70 - 13 - 2.3/10455=2, ~10455=2...(5) HB3 GLU 75 - HG2 MET 59 lone 5 72 - 7 - 10170/9265=1 HB3 GLU 75 - HG3 MET 59 lone 4 65 - 7 - 10170/9265=1 HB2 GLU 142 - HG2 MET 59 lone 4 98 - 4 - HB2 GLU 142 - HG3 MET 59 lone 4 92 - 4 - HB3 ARG 124 - HG2 MET 59 lone 2 62 - 4 - HB3 ARG 124 - HG3 MET 59 lone 2 56 - 4 - HG3 GLU 122 - HG2 MET 59 lone 2 62 - 3 - HG3 GLU 122 - HG3 MET 59 lone 2 56 - 3 - Peak 1626 from cnoeabs.peaks (4.56, 2.39, 32.38 ppm; 3.98 A): 2 out of 10 assignments used, quality = 1.00: * HA MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.7=100 HA MET 59 + HG2 MET 59 OK 96 96 - 100 - 3.7=100 HA LEU 97 - HG3 MET 59 OK 44 92 - 48 - 1634/3.4=9, 1610/3.0=8...(12) HA LEU 97 - HG2 MET 59 OK 40 84 - 48 - 1634/3.4=9, 1610/3.0=8...(12) HA PRO 98 - HG3 MET 59 OK 12 72 - 16 - 6551/4.6=4, 1602/3.0=3...(6) HA PRO 98 - HG2 MET 59 OK 11 65 - 17 - 6551/4.6=4, 1602/3.0=3...(7) HA ASN 130 - HG3 MET 59 poor 9 81 - 11 - 1610/3.0=3, 1602/3.0=3...(4) HA ASN 130 - HG2 MET 59 poor 8 74 - 11 - 1610/3.0=3, 1602/3.0=3...(4) HA GLU 28 - HG3 MET 59 lone 3 72 - 4 - HA GLU 28 - HG2 MET 59 lone 3 65 - 4 - Peak 1627 from cnoeabs.peaks (1.92, 2.39, 32.38 ppm; 3.65 A): 4 out of 26 assignments used, quality = 1.00: * HB2 MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.0=100 HB2 MET 59 + HG2 MET 59 OK 96 96 - 100 - 3.0=100 HG13 ILE 83 + HG3 MET 59 OK 54 98 - 56 - 1.8/10413=10, ~10413=7...(25) HG13 ILE 83 + HG2 MET 59 OK 51 92 - 56 - 1.8/10413=10, ~10413=7...(25) HB ILE 136 - HG3 MET 59 OK 27 94 - 28 - 1635/3.4=3, 1611/3.0=2...(15) HB ILE 136 - HG2 MET 59 OK 25 87 - 28 - 1635/3.4=3, 1611/3.0=2...(15) HB3 LEU 132 - HG3 MET 59 OK 14 98 - 14 - 1635/3.4=2, 1595/3.7=2...(6) HG2 PRO 12 - HG3 MET 59 OK 14 94 - 15 - 1611/3.0=2, ~8002=1...(4) HB3 LEU 132 - HG2 MET 59 OK 13 92 - 14 - 1635/3.4=2, 1595/3.7=2...(6) HG3 PRO 12 - HG3 MET 59 OK 13 99 - 13 - 1611/3.0=2, ~8002=1...(4) HG2 PRO 12 - HG2 MET 59 OK 12 87 - 14 - 1611/3.0=2, 1635/3.4=1 HB2 LYS 86 - HG3 MET 59 OK 11 100 - 11 - 1611/3.0=1, 1595/3.7=1 HG3 PRO 12 - HG2 MET 59 OK 11 93 - 11 - 1611/3.0=2, 1635/3.4=1 HB2 LYS 86 - HG2 MET 59 OK 10 94 - 11 - 1611/3.0=1, 1595/3.7=1 HB2 PRO 118 - HG3 MET 59 lone 9 100 - 9 - 1635/3.4=1, ~10402=1 HB2 PRO 118 - HG2 MET 59 lone 9 95 - 9 - 1635/3.4=1, ~10402=1 HB3 LEU 69 - HG3 MET 59 poor 9 68 - 13 - 1635/3.4=3, 1611/3.0=1, ~10401=1 HB2 GLN 62 - HG3 MET 59 lone 8 94 - 8 - 6543/4.7=1, 1595/3.7=1 HB3 LEU 69 - HG2 MET 59 poor 8 60 - 13 - 1635/3.4=3, 1611/3.0=1, ~10401=1 HB2 GLN 62 - HG2 MET 59 lone 7 87 - 8 - 6543/4.7=1, 1595/3.7=1 QE MET 68 - HG3 MET 59 lone 4 77 - 5 - 1635/3.4=1 QE MET 68 - HG2 MET 59 lone 4 70 - 5 - 1635/3.4=1 HB2 ARG 140 - HG3 MET 59 lone 4 92 - 4 - HB2 ARG 140 - HG2 MET 59 lone 3 84 - 4 - HB2 ARG 89 - HG3 MET 59 lone 2 68 - 3 - HB2 ARG 89 - HG2 MET 59 lone 2 60 - 3 - Peak 1628 from cnoeabs.peaks (1.78, 2.39, 32.38 ppm; 3.93 A): 2 out of 18 assignments used, quality = 1.00: * HB3 MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.0=100 HB3 MET 59 + HG2 MET 59 OK 96 96 - 100 - 3.0=100 HG LEU 72 - HG3 MET 59 OK 32 94 - 34 - 1604/3.0=5, 1636/3.4=4...(17) HG LEU 72 - HG2 MET 59 OK 29 87 - 34 - 1604/3.0=5, 1636/3.4=4...(17) HG2 PRO 57 - HG3 MET 59 OK 17 96 - 18 - 8267/8374=2, 1604/3.0=2...(7) HG2 PRO 57 - HG2 MET 59 OK 16 90 - 18 - 8267/8374=2, 1604/3.0=2...(7) HG LEU 39 - HG3 MET 59 OK 14 98 - 14 - 1604/3.0=2, 1596/3.7=2 HG LEU 39 - HG2 MET 59 OK 13 92 - 14 - 1604/3.0=2, 1596/3.7=2 HD3 LYS 34 - HG3 MET 59 OK 12 62 - 18 - 2.9/10522=3, ~10522=2...(8) HD2 LYS 34 - HG3 MET 59 OK 11 62 - 17 - 2.9/10522=3, ~10522=2 HD3 LYS 34 - HG2 MET 59 OK 10 56 - 19 - 2.9/10522=3, ~10522=2...(8) HD2 LYS 34 - HG2 MET 59 poor 9 56 - 17 - 2.9/10522=3, ~10522=2...(4) HB3 ARG 55 - HG3 MET 59 lone 9 100 - 9 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 55 - HG2 MET 59 lone 8 94 - 9 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 35 - HG3 MET 59 lone 7 85 - 8 - 1604/3.0=1 HB3 ARG 35 - HG2 MET 59 lone 7 78 - 8 - 1604/3.0=1 HB3 ARG 145 - HG3 MET 59 lone 1 68 - 2 - HB3 ARG 145 - HG2 MET 59 lone 1 60 - 2 - Peak 1629 from cnoeabs.peaks (2.38, 2.39, 32.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 MET 59 + HG3 MET 59 OK 99 99 - 100 HG2 MET 59 + HG2 MET 59 OK 96 96 - 100 Reference assignment not found: HG2 MET 59 - HG3 MET 59 Peak 1630 from cnoeabs.peaks (2.39, 2.39, 32.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 59 + HG3 MET 59 OK 100 100 - 100 HG2 MET 59 + HG2 MET 59 OK 93 93 - 100 Peak 1631 from cnoeabs.peaks (1.99, 2.39, 32.38 ppm; 3.57 A): 2 out of 20 assignments used, quality = 1.00: * QE MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.4=100 QE MET 59 + HG2 MET 59 OK 96 96 - 100 - 3.4=100 HB VAL 63 - HG3 MET 59 OK 41 100 - 42 - 1607/3.0=6, ~8360=5...(17) HB VAL 63 - HG2 MET 59 OK 39 95 - 41 - 1607/3.0=6, 2.1/8360=5...(17) HB2 GLN 111 - HG3 MET 59 OK 14 92 - 15 - 1607/3.0=2, 1615/3.0=2 HB2 GLN 111 - HG2 MET 59 OK 13 84 - 15 - 1607/3.0=2, 1615/3.0=2 QE MET 11 - HG3 MET 59 OK 13 72 - 17 - 46/1.8=2, 1607/3.0=2...(5) QE MET 11 - HG2 MET 59 OK 12 65 - 18 - 1607/3.0=2, 46=1...(6) QE MET 113 - HG3 MET 59 OK 12 100 - 12 - 1607/3.0=2, 1615/3.0=1 QE MET 113 - HG2 MET 59 OK 11 94 - 12 - 1607/3.0=2, 1615/3.0=1 HG3 PRO 52 - HG3 MET 59 OK 11 77 - 14 - 2.3/10455=2, 2.3/10453=2...(5) HG3 PRO 52 - HG2 MET 59 poor 10 70 - 14 - 2.3/10455=2, ~10455=2...(5) HB3 GLU 75 - HG3 MET 59 lone 5 72 - 7 - 10170/9265=1 HB3 GLU 75 - HG2 MET 59 lone 4 65 - 7 - 10170/9265=1 HB2 GLU 142 - HG3 MET 59 lone 4 98 - 4 - HB2 GLU 142 - HG2 MET 59 lone 4 92 - 4 - HB3 ARG 124 - HG3 MET 59 lone 2 62 - 4 - HB3 ARG 124 - HG2 MET 59 lone 2 56 - 4 - HG3 GLU 122 - HG3 MET 59 lone 2 62 - 3 - HG3 GLU 122 - HG2 MET 59 lone 2 56 - 3 - Peak 1634 from cnoeabs.peaks (4.56, 1.99, 17.69 ppm; 6.10 A): 2 out of 5 assignments used, quality = 1.00: * HA MET 59 + QE MET 59 OK 100 100 - 100 - 4.6=100 HA LEU 97 + QE MET 59 OK 75 92 - 82 - 3.0/10405=25...(14) HA PRO 98 - QE MET 59 OK 27 72 - 38 - 4.8/1634=15, 1602/4.2=5...(11) HA ASN 130 - QE MET 59 OK 18 81 - 21 - 1602/4.2=5, 1610/4.2=5...(6) HA GLU 28 - QE MET 59 lone 6 72 - 8 - 1602/4.2=1, 1610/4.2=1 Peak 1635 from cnoeabs.peaks (1.92, 1.99, 17.69 ppm; 2.85 A): 3 out of 13 assignments used, quality = 0.71: * HB2 MET 59 + QE MET 59 OK 55 100 - 55 - 4.2=31, 1.8/1636=12...(8) HG13 ILE 83 + QE MET 59 OK 24 98 - 24 - 1.8/10566=10, 3.0/1636=4...(7) HB ILE 136 + QE MET 59 OK 14 94 - 15 - 2.1/10661=4, 2.5/10466=3 HB3 LEU 132 - QE MET 59 lone 10 98 - 10 - 1.8/10405=3, 3.2/9577=1 HB3 LEU 69 - QE MET 59 poor 8 68 - 12 - 1635=4, 3.0/10401=2, 3.2/10406=2 HG3 PRO 12 - QE MET 59 lone 6 99 - 6 - 1635=2 HG2 PRO 12 - QE MET 59 lone 6 94 - 6 - 1.8/1635=1 QE MET 68 - QE MET 59 lone 5 77 - 7 - 1635=2, 4.6/10402=2 HB2 PRO 118 - QE MET 59 lone 5 100 - 5 - 3.0/10402=2 HB2 LYS 86 - QE MET 59 lone 4 100 - 4 - HB2 GLN 62 - QE MET 59 lone 3 94 - 3 - HB2 ARG 140 - QE MET 59 lone 2 92 - 2 - HB2 ARG 89 - QE MET 59 lone 1 68 - 2 - Peak 1636 from cnoeabs.peaks (1.78, 1.99, 17.69 ppm; 4.30 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 59 + QE MET 59 OK 100 100 - 100 - 4.2=100 HG LEU 72 - QE MET 59 OK 32 94 - 34 - 1636=7, 3.7/10402=5...(10) HG2 PRO 57 - QE MET 59 OK 17 96 - 17 - 8267/10409=4, 1604/4.2=2...(7) HG LEU 39 - QE MET 59 OK 14 98 - 15 - 1636=3, 1604/4.2=2...(5) HB3 ARG 55 - QE MET 59 lone 9 100 - 9 - 1636=2, 1604/4.2=1, 1596/4.6=1 HD3 LYS 34 - QE MET 59 poor 9 62 - 14 - ~10522=2, 10523/3.4=1...(6) HD2 LYS 34 - QE MET 59 poor 8 62 - 12 - ~10522=2, 2.9/10565=1, ~10523=1 HB3 ARG 35 - QE MET 59 lone 7 85 - 8 - 1636=1 HB3 ARG 145 - QE MET 59 lone 2 68 - 2 - Peak 1637 from cnoeabs.peaks (2.38, 1.99, 17.69 ppm; 3.87 A): 2 out of 7 assignments used, quality = 1.00: * HG2 MET 59 + QE MET 59 OK 100 100 - 100 - 3.4=100 HG3 MET 59 + QE MET 59 OK 99 99 - 100 - 3.4=100 HB ILE 91 - QE MET 59 OK 38 99 - 39 - 1638=5, 3.0/10403=4...(20) HG2 GLN 25 - QE MET 59 OK 29 99 - 29 - 223/3.4=4, 223/3.4=4...(11) HG3 MET 11 - QE MET 59 OK 16 92 - 18 - 9127/10107=3, 1605/4.2=1...(4) HG2 MET 46 - QE MET 59 OK 16 98 - 17 - 1637=2, ~1078=2, ~1078=2...(8) HG3 GLU 37 - QE MET 59 OK 15 100 - 15 - 3.8/10401=2, 1605/4.2=1 Peak 1638 from cnoeabs.peaks (2.39, 1.99, 17.69 ppm; 3.87 A): 2 out of 8 assignments used, quality = 1.00: * HG3 MET 59 + QE MET 59 OK 100 100 - 100 - 3.4=100 HG2 MET 59 + QE MET 59 OK 99 99 - 100 - 3.4=100 HB ILE 91 - QE MET 59 OK 38 100 - 38 - 1638=5, 3.0/10403=4...(20) HG2 GLN 25 - QE MET 59 OK 29 100 - 29 - 223/3.4=4, 223/3.4=4...(11) HG2 MET 46 - QE MET 59 OK 17 100 - 17 - 1637=2, ~1078=2, ~1078=2...(8) HG3 GLU 37 - QE MET 59 OK 14 99 - 14 - 3.8/10401=2, 1605/4.2=1 HG3 GLN 25 - QE MET 59 OK 13 68 - 19 - 1637=3, ~223=2...(8) HG3 MET 11 - QE MET 59 OK 13 77 - 17 - 9127/10107=2, 1605/4.2=1...(4) Peak 1639 from cnoeabs.peaks (1.99, 1.99, 17.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 59 + QE MET 59 OK 100 100 - 100 Peak 1641 from cnoeabs.peaks (9.31, 3.96, 53.08 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 60 + HA ALA 60 OK 100 100 - 100 - 2.8=100 Peak 1642 from cnoeabs.peaks (3.96, 3.96, 53.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 60 + HA ALA 60 OK 100 100 - 100 Peak 1643 from cnoeabs.peaks (1.34, 3.96, 53.08 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 60 + HA ALA 60 OK 100 100 - 100 - 2.1=100 HB3 ARG 49 - HA ALA 60 OK 17 98 - 17 - 6558/2.8=3, 6563/3.6=2...(10) HD3 LYS 76 - HA ALA 60 lone 6 94 - 6 - 6558/2.8=1 Peak 1644 from cnoeabs.peaks (8.42, 3.96, 53.08 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 61 + HA ALA 60 OK 99 100 - 99 - 3.6=98, 1648/2.1=32...(14) H GLU 75 - HA ALA 60 lone 5 72 - 7 - 1648/2.1=3, 6559/2.8=1 Peak 1645 from cnoeabs.peaks (9.31, 1.34, 16.46 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 60 + QB ALA 60 OK 100 100 - 100 - 2.9=100 Peak 1646 from cnoeabs.peaks (3.96, 1.34, 16.46 ppm; 2.86 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 60 + QB ALA 60 OK 100 100 - 100 - 2.1=100 HA3 GLY 94 - QB ALA 60 OK 21 100 - 21 - ~8310=7, 1.8/8312=4...(6) HA LYS 48 - QB ALA 60 lone 8 100 - 7 - 3.6/6465=1, 4.8/1241=1 HD3 PRO 129 - QB ALA 60 lone 6 68 - 9 - 2.3/9852=2, 6562/3.7=1 HA PHE 106 - QB ALA 60 lone 4 100 - 4 - HB3 SER 103 - QB ALA 60 lone 2 96 - 2 - HA LEU 29 - QB ALA 60 lone 1 62 - 2 - Peak 1647 from cnoeabs.peaks (1.34, 1.34, 16.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 60 + QB ALA 60 OK 100 100 - 100 Peak 1648 from cnoeabs.peaks (8.42, 1.34, 16.46 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.92: * H LYS 61 + QB ALA 60 OK 92 100 - 92 - 3.7=79, 1644/2.1=30...(12) H GLU 75 - QB ALA 60 poor 8 72 - 10 - 1644/2.1=2, 8295/10416=2...(5) Peak 1649 from cnoeabs.peaks (8.42, 3.62, 57.62 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 H GLU 75 - HA LYS 61 poor 8 72 - 10 - 8295/8330=2, 1671/3.0=2...(4) Peak 1650 from cnoeabs.peaks (3.62, 3.62, 57.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HA LYS 61 OK 100 100 - 100 Peak 1651 from cnoeabs.peaks (1.96, 3.62, 57.62 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 HB3 PRO 98 - HA LYS 61 OK 42 96 - 44 - 1651=8, 1673/3.0=6...(23) HB3 MET 11 - HA LYS 61 OK 29 98 - 29 - 1651=6, 6577/3.5=3...(9) HB2 LYS 34 - HA LYS 61 OK 22 96 - 23 - 1651=5, 1673/3.0=3...(7) HB ILE 56 - HA LYS 61 OK 17 100 - 17 - 1673/3.0=2, ~8331=2...(4) Peak 1652 from cnoeabs.peaks (2.07, 3.62, 57.62 ppm; 3.54 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 - HA LYS 61 OK 41 100 - 42 - 1652=7, 1663/3.0=4...(19) HG2 GLU 122 - HA LYS 61 OK 24 99 - 25 - 1652=4, 1663/3.0=3...(13) HB3 GLN 62 - HA LYS 61 OK 24 98 - 25 - 6578/3.5=7, 6566/3.0=5...(7) HB2 LEU 26 - HA LYS 61 OK 23 100 - 23 - 1652=4, 1663/3.0=2...(8) HB2 GLU 131 - HA LYS 61 OK 21 72 - 29 - 1672=5, 4.6/1659=4...(13) HD2 ARG 49 - HA LYS 61 OK 19 100 - 19 - 3.7/10527=4, 1652=3...(5) HG2 PRO 118 - HA LYS 61 OK 10 72 - 14 - 2.3/11702=10 HG3 PRO 33 - HA LYS 61 poor 8 62 - 12 - 1652=2, 1663/3.0=1 Peak 1653 from cnoeabs.peaks (1.26, 3.62, 57.62 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.99: * HG2 LYS 61 + HA LYS 61 OK 91 100 - 91 - 3.8=63, 1.8/1694=14...(33) HG3 LYS 61 + HA LYS 61 OK 88 96 - 91 - 3.8=63, 1.8/1683=14...(33) HB3 LEU 97 - HA LYS 61 OK 41 92 - 44 - 1654=6, 1.8/1655=5...(21) HB2 LEU 132 - HA LYS 61 OK 36 99 - 37 - 3.2/8330=6, 1654=6...(12) QG2 THR 99 - HA LYS 61 OK 10 96 - 11 - 4.0/1659=2, 10150/3.5=2...(5) QG2 THR 102 - HA LYS 61 lone 2 100 - 2 - Peak 1654 from cnoeabs.peaks (1.26, 3.62, 57.62 ppm; 3.36 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 61 + HA LYS 61 OK 92 100 - 92 - 3.8=67, 1.8/1683=15...(33) HG2 LYS 61 + HA LYS 61 OK 89 96 - 92 - 3.8=67, 1.8/1694=14...(33) HB3 LEU 97 + HA LYS 61 OK 47 100 - 47 - 1654=7, 1.8/1655=5...(21) HB2 LEU 132 - HA LYS 61 OK 38 100 - 39 - 1654=6, 3.2/8330=6...(12) QG2 THR 99 - HA LYS 61 OK 12 100 - 12 - 10150/3.5=2, 4.0/1659=2...(6) QG2 THR 102 - HA LYS 61 lone 2 89 - 2 - Peak 1655 from cnoeabs.peaks (1.59, 3.62, 57.62 ppm; 4.29 A): 3 out of 10 assignments used, quality = 1.00: HD3 LYS 61 + HA LYS 61 OK 99 100 - 99 - 5.2=56, 3.0/1683=16...(47) * HD2 LYS 61 + HA LYS 61 OK 99 100 - 99 - 5.2=56, 3.0/1683=16...(47) HB2 LEU 97 + HA LYS 61 OK 50 77 - 65 - 1655=9, 1.8/1654=8...(24) HG3 ARG 109 - HA LYS 61 OK 26 62 - 42 - 2.8/3541=9, 2.8/3531=8...(12) HB2 LEU 79 - HA LYS 61 OK 19 100 - 19 - 3.1/8728=6, 1656=3...(6) HG3 LYS 36 - HA LYS 61 lone 8 100 - 8 - 695/11702=1 HG3 LYS 48 - HA LYS 61 lone 7 92 - 8 - 3.8/8333=2, 1184/4.8=1 HG2 ARG 144 - HA LYS 61 lone 4 89 - 5 - 9824/8330=1 HG LEU 108 - HA LYS 61 lone 4 68 - 5 - HG2 ARG 141 - HA LYS 61 lone 2 72 - 3 - Peak 1656 from cnoeabs.peaks (1.59, 3.62, 57.62 ppm; 4.29 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 61 + HA LYS 61 OK 99 100 - 99 - 5.2=56, 3.0/1683=16...(47) HD2 LYS 61 + HA LYS 61 OK 99 100 - 99 - 5.2=56, 3.0/1683=16...(47) HB2 LEU 97 + HA LYS 61 OK 50 77 - 65 - 1655=9, 1.8/1654=8...(24) HG3 ARG 109 - HA LYS 61 OK 26 62 - 42 - 2.8/3541=9, 2.8/3531=8...(12) HB2 LEU 79 - HA LYS 61 OK 19 100 - 19 - 3.1/8728=6, 1656=3...(6) HG3 LYS 36 - HA LYS 61 lone 8 100 - 8 - 695/11702=1 HG3 LYS 48 - HA LYS 61 lone 7 92 - 8 - 3.8/8333=2, 1184/4.8=1 HG2 ARG 144 - HA LYS 61 lone 4 89 - 5 - 9824/8330=1 HG LEU 108 - HA LYS 61 lone 4 68 - 5 - HG2 ARG 141 - HA LYS 61 lone 2 72 - 3 - Peak 1659 from cnoeabs.peaks (7.73, 3.62, 57.62 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 62 + HA LYS 61 OK 100 100 - 100 - 3.5=100 H LEU 132 - HA LYS 61 OK 44 100 - 44 - 1681/3.0=8, 6573/3.0=8...(12) H SER 100 - HA LYS 61 OK 21 100 - 21 - 6573/3.0=4, 1681/3.0=4...(8) HD21 ASN 128 - HA LYS 61 poor 10 85 - 11 - 1748/4.8=2, 1681/3.0=2...(4) Peak 1660 from cnoeabs.peaks (8.42, 1.96, 30.27 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.8=100 H GLU 75 - HB2 LYS 61 OK 12 72 - 17 - 1671/1.8=4, 1649/3.0=3...(8) Peak 1661 from cnoeabs.peaks (3.62, 1.96, 30.27 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HA ARG 109 + HB2 LYS 61 OK 48 96 - 50 - 1672/1.8=12, 6564/3.8=6...(16) Peak 1662 from cnoeabs.peaks (1.96, 1.96, 30.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 Peak 1663 from cnoeabs.peaks (2.07, 1.96, 30.27 ppm; 2.72 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 1.8=100 HB2 PRO 129 - HB2 LYS 61 OK 27 100 - 27 - 2.3/10267=3, 1652/3.0=2...(13) HG2 GLU 122 - HB2 LYS 61 OK 19 99 - 19 - 4083=3, 1.8/4090=2...(7) HB2 GLU 131 - HB2 LYS 61 OK 15 72 - 20 - 1673=2, ~4443=2...(7) HB2 LEU 26 - HB2 LYS 61 OK 14 100 - 14 - 3.2/10584=1, 1652/3.0=1, ~253=1 HB3 GLN 62 - HB2 LYS 61 OK 14 98 - 14 - 4.0/6577=5, 6566/3.8=2...(4) HD2 ARG 49 - HB2 LYS 61 lone 8 100 - 8 - 1652/3.0=1 HG3 PRO 33 - HB2 LYS 61 lone 5 62 - 8 - HG2 PRO 118 - HB2 LYS 61 lone 4 72 - 6 - ~11702=3 Peak 1664 from cnoeabs.peaks (1.26, 1.96, 30.27 ppm; 3.42 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HB2 LYS 61 OK 96 96 - 100 - 3.0=100 HB3 LEU 97 + HB2 LYS 61 OK 56 92 - 61 - 1675/1.8=6, 1.8/1666=6...(37) HB2 LEU 132 - HB2 LYS 61 OK 45 99 - 45 - 3.2/8331=8, 1675/1.8=5...(21) QG2 THR 99 - HB2 LYS 61 OK 14 96 - 15 - 4.0/7164=1, 1675/1.8=1...(7) QG2 THR 102 - HB2 LYS 61 lone 4 100 - 4 - Peak 1665 from cnoeabs.peaks (1.26, 1.96, 30.27 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: * HG3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HB2 LYS 61 OK 96 96 - 100 - 3.0=100 HB3 LEU 97 + HB2 LYS 61 OK 66 100 - 66 - 1676/1.8=7, 11426/3.0=7...(37) HB2 LEU 132 + HB2 LYS 61 OK 48 100 - 49 - 3.2/8331=9, 1676/1.8=6...(21) QG2 THR 99 - HB2 LYS 61 OK 17 100 - 17 - 10150/4.6=2, 1676/1.8=2...(8) QG2 THR 102 - HB2 LYS 61 lone 4 89 - 4 - Peak 1666 from cnoeabs.peaks (1.59, 1.96, 30.27 ppm; 3.50 A): 2 out of 10 assignments used, quality = 1.00: HD3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=90, 1.8/1706=13...(72) * HD2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=90, 1.8/1706=13...(72) HB2 LEU 97 - HB2 LYS 61 OK 44 77 - 57 - 1.8/1665=7, 3.2/9129=6...(27) HG3 ARG 109 - HB2 LYS 61 OK 20 62 - 32 - 3.9/1661=6, ~11117=3...(15) HB2 LEU 79 - HB2 LYS 61 OK 11 100 - 11 - ~8728=2, 1677/1.8=1...(5) HG3 LYS 36 - HB2 LYS 61 lone 3 100 - 3 - HG3 LYS 48 - HB2 LYS 61 lone 3 92 - 3 - HG LEU 108 - HB2 LYS 61 lone 2 68 - 3 - HG2 ARG 141 - HB2 LYS 61 lone 2 72 - 2 - HG2 ARG 144 - HB2 LYS 61 lone 2 89 - 2 - Peak 1667 from cnoeabs.peaks (1.59, 1.96, 30.27 ppm; 3.50 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=90, 1.8/1706=13...(72) HD2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=90, 1.8/1706=13...(72) HB2 LEU 97 - HB2 LYS 61 OK 44 77 - 57 - 1.8/1665=7, 3.2/9129=6...(27) HG3 ARG 109 - HB2 LYS 61 OK 20 62 - 32 - 3.9/1661=6, ~11117=3...(15) HB2 LEU 79 - HB2 LYS 61 OK 11 100 - 11 - ~8728=2, 1677/1.8=1...(5) HG3 LYS 36 - HB2 LYS 61 lone 3 100 - 3 - HG3 LYS 48 - HB2 LYS 61 lone 3 92 - 3 - HG LEU 108 - HB2 LYS 61 lone 2 68 - 3 - HG2 ARG 141 - HB2 LYS 61 lone 2 72 - 2 - HG2 ARG 144 - HB2 LYS 61 lone 2 89 - 2 - Peak 1668 from cnoeabs.peaks (2.94, 1.96, 30.27 ppm; 5.43 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 4.8=100 HE3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 4.8=100 HB2 HIS 14 + HB2 LYS 61 OK 69 85 - 81 - 3.0/9856=24...(22) HB3 ASN 130 - HB2 LYS 61 OK 25 100 - 25 - ~11296=12, 4.7/9549=7...(5) HE3 LYS 93 - HB2 LYS 61 lone 7 98 - 7 - 1679/1.8=1 HE2 LYS 93 - HB2 LYS 61 lone 5 62 - 8 - HE3 LYS 85 - HB2 LYS 61 lone 5 89 - 5 - HE2 LYS 85 - HB2 LYS 61 lone 4 68 - 6 - HE3 LYS 48 - HB2 LYS 61 lone 2 77 - 3 - Peak 1669 from cnoeabs.peaks (2.94, 1.96, 30.27 ppm; 5.43 A): 3 out of 9 assignments used, quality = 1.00: HE2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 4.8=100 * HE3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 4.8=100 HB2 HIS 14 + HB2 LYS 61 OK 69 85 - 81 - 3.0/9856=24...(22) HB3 ASN 130 - HB2 LYS 61 OK 25 100 - 25 - ~11296=12, 4.7/9549=7...(5) HE3 LYS 93 - HB2 LYS 61 lone 7 98 - 7 - 1679/1.8=1 HE2 LYS 93 - HB2 LYS 61 lone 5 62 - 8 - HE3 LYS 85 - HB2 LYS 61 lone 5 89 - 5 - HE2 LYS 85 - HB2 LYS 61 lone 4 68 - 6 - HE3 LYS 48 - HB2 LYS 61 lone 2 77 - 3 - Peak 1671 from cnoeabs.peaks (8.42, 2.07, 30.27 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.8=100 H GLU 75 - HB3 LYS 61 OK 13 72 - 17 - 1660/1.8=4, 1649/3.0=3...(7) Peak 1672 from cnoeabs.peaks (3.62, 2.07, 30.27 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HA ARG 109 - HB3 LYS 61 OK 44 96 - 46 - 1661/1.8=11, 6564/3.8=5...(15) Peak 1673 from cnoeabs.peaks (1.96, 2.07, 30.27 ppm; 2.73 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 1.8=100 HB3 PRO 98 - HB3 LYS 61 OK 32 96 - 33 - 1651/3.0=3, 6565/3.8=2...(26) HB3 MET 11 - HB3 LYS 61 OK 15 98 - 15 - 1651/3.0=2, ~20=1...(5) HB2 LYS 34 - HB3 LYS 61 OK 15 96 - 15 - 1651/3.0=2 HB ILE 56 - HB3 LYS 61 OK 12 100 - 12 - ~8331=2, 1651/3.0=1, 3.2/8332=1 Peak 1674 from cnoeabs.peaks (2.07, 2.07, 30.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 Peak 1675 from cnoeabs.peaks (1.26, 2.07, 30.27 ppm; 3.22 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HB3 LYS 61 OK 96 96 - 100 - 3.0=100 HB3 LEU 97 + HB3 LYS 61 OK 50 92 - 55 - 1664/1.8=6, 1.8/1677=5...(35) HB2 LEU 132 - HB3 LYS 61 OK 43 99 - 43 - ~8331=5, 3.2/8332=5...(21) QG2 THR 99 - HB3 LYS 61 OK 11 96 - 11 - 4.0/1681=2, 1664/1.8=1 QG2 THR 102 - HB3 LYS 61 lone 3 100 - 3 - Peak 1676 from cnoeabs.peaks (1.26, 2.07, 30.27 ppm; 3.37 A): 4 out of 6 assignments used, quality = 1.00: * HG3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HB3 LYS 61 OK 96 96 - 100 - 3.0=100 HB3 LEU 97 + HB3 LYS 61 OK 59 100 - 59 - 1665/1.8=7, 11426/3.0=6...(35) HB2 LEU 132 + HB3 LYS 61 OK 47 100 - 47 - ~8331=6, 3.2/8332=5...(23) QG2 THR 99 - HB3 LYS 61 OK 13 100 - 13 - 4.0/1681=2, 1665/1.8=2...(7) QG2 THR 102 - HB3 LYS 61 lone 3 89 - 3 - Peak 1677 from cnoeabs.peaks (1.59, 2.07, 30.27 ppm; 3.43 A): 2 out of 10 assignments used, quality = 1.00: HD3 LYS 61 + HB3 LYS 61 OK 99 100 - 99 - 3.6=85, 1706/1.8=13...(69) * HD2 LYS 61 + HB3 LYS 61 OK 99 100 - 99 - 3.6=85, 1706/1.8=13...(69) HB2 LEU 97 - HB3 LYS 61 OK 42 77 - 54 - 1.8/1676=7, 1666/1.8=6...(25) HG3 ARG 109 - HB3 LYS 61 OK 19 62 - 31 - 3.9/1672=6, ~11117=3...(15) HB2 LEU 79 - HB3 LYS 61 OK 11 100 - 11 - ~8728=2, 3.1/10290=2...(5) HG3 LYS 48 - HB3 LYS 61 lone 3 92 - 4 - HG3 LYS 36 - HB3 LYS 61 lone 3 100 - 3 - HG LEU 108 - HB3 LYS 61 lone 2 68 - 3 - HG2 ARG 144 - HB3 LYS 61 lone 2 89 - 2 - HG2 ARG 141 - HB3 LYS 61 lone 1 72 - 2 - Peak 1678 from cnoeabs.peaks (1.59, 2.07, 30.27 ppm; 3.43 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 61 + HB3 LYS 61 OK 99 100 - 99 - 3.6=85, 1706/1.8=13...(69) HD2 LYS 61 + HB3 LYS 61 OK 99 100 - 99 - 3.6=85, 1706/1.8=13...(69) HB2 LEU 97 - HB3 LYS 61 OK 42 77 - 54 - 1.8/1676=7, 1666/1.8=6...(25) HG3 ARG 109 - HB3 LYS 61 OK 19 62 - 31 - 3.9/1672=6, ~11117=3...(15) HB2 LEU 79 - HB3 LYS 61 OK 11 100 - 11 - ~8728=2, 3.1/10290=2...(5) HG3 LYS 48 - HB3 LYS 61 lone 3 92 - 4 - HG3 LYS 36 - HB3 LYS 61 lone 3 100 - 3 - HG LEU 108 - HB3 LYS 61 lone 2 68 - 3 - HG2 ARG 144 - HB3 LYS 61 lone 2 89 - 2 - HG2 ARG 141 - HB3 LYS 61 lone 1 72 - 2 - Peak 1679 from cnoeabs.peaks (2.94, 2.07, 30.27 ppm; 5.00 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 4.8=100 HE3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 4.8=100 HB2 HIS 14 + HB3 LYS 61 OK 63 85 - 73 - 3.0/9817=17, ~9856=16...(20) HB3 ASN 130 - HB3 LYS 61 OK 21 100 - 21 - ~11296=10, 4.0/7617=3...(6) HE3 LYS 93 - HB3 LYS 61 lone 7 98 - 7 - HE3 LYS 85 - HB3 LYS 61 lone 5 89 - 5 - HE2 LYS 93 - HB3 LYS 61 lone 5 62 - 7 - HE2 LYS 85 - HB3 LYS 61 lone 4 68 - 5 - HE3 LYS 48 - HB3 LYS 61 lone 3 77 - 3 - Peak 1680 from cnoeabs.peaks (2.94, 2.07, 30.27 ppm; 5.00 A): 3 out of 9 assignments used, quality = 1.00: HE2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 4.8=100 * HE3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 4.8=100 HB2 HIS 14 + HB3 LYS 61 OK 63 85 - 73 - 3.0/9817=17, ~9856=16...(20) HB3 ASN 130 - HB3 LYS 61 OK 21 100 - 21 - ~11296=10, 4.0/7617=3...(6) HE3 LYS 93 - HB3 LYS 61 lone 7 98 - 7 - HE3 LYS 85 - HB3 LYS 61 lone 5 89 - 5 - HE2 LYS 93 - HB3 LYS 61 lone 5 62 - 7 - HE2 LYS 85 - HB3 LYS 61 lone 4 68 - 5 - HE3 LYS 48 - HB3 LYS 61 lone 3 77 - 3 - Peak 1681 from cnoeabs.peaks (7.73, 2.07, 30.27 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 62 + HB3 LYS 61 OK 99 100 - 99 - 4.6=98, 6577/1.8=22...(17) H LEU 132 + HB3 LYS 61 OK 56 100 - 57 - 1659/3.0=9, 4.1/8332=9...(15) H SER 100 - HB3 LYS 61 OK 26 100 - 25 - 1659/3.0=4, 7177/3.0=4...(8) HD21 ASN 128 - HB3 LYS 61 OK 13 85 - 15 - 3.4/9515=2, 1659/3.0=2...(5) Peak 1682 from cnoeabs.peaks (8.42, 1.26, 25.29 ppm; 3.56 A): 2 out of 4 assignments used, quality = 0.97: * H LYS 61 + HG2 LYS 61 OK 88 100 - 88 - 4.9=39, 6568/1.8=13...(32) H LYS 61 + HG3 LYS 61 OK 76 87 - 87 - 4.9=39, 6567/1.8=13...(32) H GLU 75 - HG2 LYS 61 lone 7 72 - 10 - 1671/3.0=2, 1660/3.0=2 H GLU 75 - HG3 LYS 61 lone 6 56 - 10 - 1671/3.0=2, 1660/3.0=2 Peak 1683 from cnoeabs.peaks (3.62, 1.26, 25.29 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.98: * HA LYS 61 + HG2 LYS 61 OK 92 100 - 92 - 3.8=66, 3.0/1682=12...(33) HA LYS 61 + HG3 LYS 61 OK 80 87 - 92 - 3.8=66, 1653/1.8=12...(33) HA ARG 109 - HG2 LYS 61 OK 28 96 - 29 - 1661/3.0=7, 1672/3.0=7...(7) HA ARG 109 - HG3 LYS 61 OK 23 80 - 29 - 1661/3.0=7, 1672/3.0=7...(7) Peak 1684 from cnoeabs.peaks (1.96, 1.26, 25.29 ppm; 3.22 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 61 + HG3 LYS 61 OK 87 87 - 100 - 3.0=100 HB3 PRO 98 - HG2 LYS 61 OK 45 96 - 47 - 1673/3.0=5, 2.3/9143=5...(26) HB3 PRO 98 - HG3 LYS 61 OK 37 80 - 46 - 1673/3.0=5, 1651/3.8=4...(27) HB3 MET 11 - HG2 LYS 61 OK 16 98 - 16 - 1673/3.0=3, 1651/3.8=2...(6) HB2 LYS 34 - HG2 LYS 61 OK 16 96 - 16 - 1673/3.0=3, 1651/3.8=2 HB ILE 56 - HG2 LYS 61 OK 15 100 - 15 - 1673/3.0=2, ~8331=2, 1651/3.8=1 HB3 MET 11 - HG3 LYS 61 OK 13 82 - 16 - 1673/3.0=3, 1651/3.8=2...(6) HB2 LYS 34 - HG3 LYS 61 OK 13 80 - 16 - 1673/3.0=3, 1651/3.8=2 HB ILE 56 - HG3 LYS 61 OK 13 86 - 14 - 1673/3.0=2, ~8331=2, 1651/3.8=1 Peak 1685 from cnoeabs.peaks (2.07, 1.26, 25.29 ppm; 3.25 A): 2 out of 18 assignments used, quality = 1.00: * HB3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HB3 LYS 61 + HG3 LYS 61 OK 87 87 - 100 - 3.0=100 HB2 PRO 129 - HG2 LYS 61 OK 33 100 - 33 - 1663/3.0=4, ~10269=3...(16) HB2 PRO 129 - HG3 LYS 61 OK 29 85 - 35 - 2.3/10269=4, 1663/3.0=4...(16) HG2 GLU 122 - HG2 LYS 61 OK 19 99 - 19 - 1663/3.0=3, 1652/3.8=2...(6) HB2 LEU 26 - HG2 LYS 61 OK 17 100 - 17 - 1663/3.0=2, 1652/3.8=2...(5) HB2 GLU 131 - HG2 LYS 61 OK 16 72 - 23 - 1663/3.0=3, 4.6/7666=2...(8) HG2 GLU 122 - HG3 LYS 61 OK 16 84 - 19 - 1663/3.0=3, 1652/3.8=2...(6) HB3 GLN 62 - HG2 LYS 61 OK 15 98 - 15 - 4.0/6579=3, 6566/4.9=2...(5) HB2 LEU 26 - HG3 LYS 61 OK 14 87 - 16 - 1663/3.0=2, 1652/3.8=2...(5) HB2 GLU 131 - HG3 LYS 61 OK 13 56 - 23 - 1663/3.0=3, 4.6/7666=2...(8) HB3 GLN 62 - HG3 LYS 61 OK 12 82 - 15 - 4.0/6579=3, 6566/4.9=2...(5) HD2 ARG 49 - HG2 LYS 61 OK 10 100 - 10 - 1652/3.8=1, 1663/3.0=1 HD2 ARG 49 - HG3 LYS 61 poor 9 85 - 10 - 1652/3.8=1, 1663/3.0=1 HG3 PRO 33 - HG2 LYS 61 lone 6 62 - 9 - 1663/3.0=1 HG3 PRO 33 - HG3 LYS 61 lone 4 48 - 9 - 1663/3.0=1 HG2 PRO 118 - HG2 LYS 61 lone 3 72 - 4 - HG2 PRO 118 - HG3 LYS 61 lone 2 56 - 4 - Peak 1686 from cnoeabs.peaks (1.26, 1.26, 25.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 80 80 - 100 Peak 1687 from cnoeabs.peaks (1.26, 1.26, 25.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 61 + HG2 LYS 61 OK 96 96 - 100 HG3 LYS 61 + HG3 LYS 61 OK 87 87 - 100 Reference assignment not found: HG3 LYS 61 - HG2 LYS 61 Peak 1688 from cnoeabs.peaks (1.59, 1.26, 25.29 ppm; 2.84 A): 4 out of 20 assignments used, quality = 1.00: HD3 LYS 61 + HG2 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1719=7...(71) * HD2 LYS 61 + HG2 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1708=7...(71) HD2 LYS 61 + HG3 LYS 61 OK 85 87 - 98 - 3.0=88, 1708/1.8=7...(71) HD3 LYS 61 + HG3 LYS 61 OK 85 87 - 98 - 3.0=88, 1708/1.8=7...(71) HB2 LEU 97 - HG2 LYS 61 OK 40 77 - 52 - 3198=3, 3198/1.8=3...(32) HB2 LEU 97 - HG3 LYS 61 OK 31 61 - 51 - 3198=4, 3.2/3226=3...(30) HB2 LEU 79 - HG2 LYS 61 lone 10 100 - 10 - ~2375=1 HB2 LEU 79 - HG3 LYS 61 lone 8 86 - 10 - ~2375=1 HG3 ARG 109 - HG2 LYS 61 lone 6 62 - 10 - 2.8/11117=2, 3.9/1683=2...(4) HG3 ARG 109 - HG3 LYS 61 lone 5 48 - 10 - ~11117=3, 3.9/1683=1...(4) HG3 LYS 36 - HG2 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HG3 LYS 61 lone 3 87 - 3 - HG3 LYS 48 - HG2 LYS 61 lone 2 92 - 2 - HG LEU 108 - HG2 LYS 61 lone 2 68 - 2 - HG3 LYS 48 - HG3 LYS 61 lone 2 75 - 2 - HG LEU 108 - HG3 LYS 61 lone 1 52 - 2 - HG2 ARG 141 - HG2 LYS 61 lone 1 72 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 89 - 1 - HG2 ARG 141 - HG3 LYS 61 lone 1 56 - 2 - HG2 ARG 144 - HG3 LYS 61 lone 1 72 - 1 - Peak 1689 from cnoeabs.peaks (1.59, 1.26, 25.29 ppm; 2.84 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 61 + HG2 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1719=7...(71) HD2 LYS 61 + HG2 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1708=7...(71) HD2 LYS 61 + HG3 LYS 61 OK 85 87 - 98 - 3.0=88, 1708/1.8=7...(71) HD3 LYS 61 + HG3 LYS 61 OK 85 87 - 98 - 3.0=88, 1708/1.8=7...(71) HB2 LEU 97 - HG2 LYS 61 OK 40 77 - 52 - 3198=3, 3198/1.8=3...(32) HB2 LEU 97 - HG3 LYS 61 OK 31 61 - 51 - 3198=4, 3.2/3226=3...(30) HB2 LEU 79 - HG2 LYS 61 lone 10 100 - 10 - ~2375=1 HB2 LEU 79 - HG3 LYS 61 lone 8 86 - 10 - ~2375=1 HG3 ARG 109 - HG2 LYS 61 lone 6 62 - 10 - 2.8/11117=2, 3.9/1683=2...(4) HG3 ARG 109 - HG3 LYS 61 lone 5 48 - 10 - ~11117=3, 3.9/1683=1...(4) HG3 LYS 36 - HG2 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HG3 LYS 61 lone 3 87 - 3 - HG3 LYS 48 - HG2 LYS 61 lone 2 92 - 2 - HG LEU 108 - HG2 LYS 61 lone 2 68 - 2 - HG3 LYS 48 - HG3 LYS 61 lone 2 75 - 2 - HG LEU 108 - HG3 LYS 61 lone 1 52 - 2 - HG2 ARG 141 - HG2 LYS 61 lone 1 72 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 89 - 1 - HG2 ARG 141 - HG3 LYS 61 lone 1 56 - 2 - HG2 ARG 144 - HG3 LYS 61 lone 1 72 - 1 - Peak 1690 from cnoeabs.peaks (2.94, 1.26, 25.29 ppm; 3.30 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 61 + HG2 LYS 61 OK 97 100 - 97 - 3.8=64, 1.8/1730=8...(71) * HE2 LYS 61 + HG2 LYS 61 OK 97 100 - 97 - 3.8=64, 1.8/1730=8...(71) HE3 LYS 61 + HG3 LYS 61 OK 85 87 - 97 - 3.8=64, 1730/1.8=8...(71) HE2 LYS 61 + HG3 LYS 61 OK 85 87 - 97 - 3.8=64, 1730/1.8=8...(71) HB2 HIS 14 - HG2 LYS 61 OK 32 85 - 37 - 11058/4.9=4, ~9856=4...(17) HB2 HIS 14 - HG3 LYS 61 OK 24 68 - 36 - 11058/4.9=4, ~9856=4...(16) HB3 ASN 130 - HG2 LYS 61 OK 12 100 - 12 - 3.0/11296=6, ~11296=4 HB3 ASN 130 - HG3 LYS 61 poor 10 87 - 11 - ~11296=5, 3.0/11296=5 HE3 LYS 93 - HG2 LYS 61 lone 3 98 - 3 - HE2 LYS 93 - HG2 LYS 61 lone 2 62 - 4 - HE3 LYS 93 - HG3 LYS 61 lone 2 82 - 3 - HE3 LYS 85 - HG2 LYS 61 lone 2 89 - 2 - HE2 LYS 85 - HG2 LYS 61 lone 2 68 - 3 - HE2 LYS 93 - HG3 LYS 61 lone 2 48 - 4 - HE3 LYS 85 - HG3 LYS 61 lone 2 72 - 2 - HE2 LYS 85 - HG3 LYS 61 lone 1 52 - 3 - HE3 LYS 48 - HG2 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HG3 LYS 61 lone 1 61 - 1 - Peak 1691 from cnoeabs.peaks (2.94, 1.26, 25.29 ppm; 3.30 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 61 + HG2 LYS 61 OK 97 100 - 97 - 3.8=64, 1.8/1730=8...(71) HE2 LYS 61 + HG2 LYS 61 OK 97 100 - 97 - 3.8=64, 1.8/1730=8...(71) HE3 LYS 61 + HG3 LYS 61 OK 85 87 - 97 - 3.8=64, 1730/1.8=8...(71) HE2 LYS 61 + HG3 LYS 61 OK 85 87 - 97 - 3.8=64, 1730/1.8=8...(71) HB2 HIS 14 - HG2 LYS 61 OK 32 85 - 37 - 11058/4.9=4, ~9856=4...(17) HB2 HIS 14 - HG3 LYS 61 OK 24 68 - 36 - 11058/4.9=4, ~9856=4...(16) HB3 ASN 130 - HG2 LYS 61 OK 12 100 - 12 - 3.0/11296=6, ~11296=4 HB3 ASN 130 - HG3 LYS 61 poor 10 87 - 11 - ~11296=5, 3.0/11296=5 HE3 LYS 93 - HG2 LYS 61 lone 3 98 - 3 - HE2 LYS 93 - HG2 LYS 61 lone 2 62 - 4 - HE3 LYS 93 - HG3 LYS 61 lone 2 82 - 3 - HE3 LYS 85 - HG2 LYS 61 lone 2 89 - 2 - HE2 LYS 85 - HG2 LYS 61 lone 2 68 - 3 - HE2 LYS 93 - HG3 LYS 61 lone 2 48 - 4 - HE3 LYS 85 - HG3 LYS 61 lone 2 72 - 2 - HE2 LYS 85 - HG3 LYS 61 lone 1 52 - 3 - HE3 LYS 48 - HG2 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HG3 LYS 61 lone 1 61 - 1 - Peak 1693 from cnoeabs.peaks (8.42, 1.26, 25.29 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.98: * H LYS 61 + HG3 LYS 61 OK 89 100 - 90 - 4.9=43, 6567/1.8=14...(33) H LYS 61 + HG2 LYS 61 OK 77 87 - 89 - 4.9=43, 6568/1.8=13...(32) H GLU 75 - HG3 LYS 61 poor 8 72 - 10 - 1671/3.0=3, 1660/3.0=3...(5) H GLU 75 - HG2 LYS 61 poor 6 56 - 10 - 1671/3.0=3, 1660/3.0=3...(5) Peak 1694 from cnoeabs.peaks (3.62, 1.26, 25.29 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.99: * HA LYS 61 + HG3 LYS 61 OK 93 100 - 93 - 3.8=68, 1653/1.8=12...(33) HA LYS 61 + HG2 LYS 61 OK 80 87 - 93 - 3.8=68, 1653/1.8=12...(33) HA ARG 109 - HG3 LYS 61 OK 29 96 - 30 - 1661/3.0=7, 1672/3.0=7...(7) HA ARG 109 - HG2 LYS 61 OK 22 80 - 28 - 1661/3.0=7, 1672/3.0=7...(7) Peak 1695 from cnoeabs.peaks (1.96, 1.26, 25.29 ppm; 3.24 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 61 + HG2 LYS 61 OK 87 87 - 100 - 3.0=100 HB3 PRO 98 + HG3 LYS 61 OK 46 96 - 48 - 1673/3.0=5, 2.3/9143=4...(29) HB3 PRO 98 - HG2 LYS 61 OK 38 80 - 48 - 1673/3.0=5, 2.3/9143=4...(28) HB3 MET 11 - HG3 LYS 61 OK 16 98 - 16 - 1673/3.0=3, 1651/3.8=2...(6) HB2 LYS 34 - HG3 LYS 61 OK 16 96 - 16 - 1673/3.0=3, 1651/3.8=2 HB ILE 56 - HG3 LYS 61 OK 15 100 - 15 - 1673/3.0=2, ~8331=2, 1651/3.8=1 HB3 MET 11 - HG2 LYS 61 OK 13 82 - 16 - 1673/3.0=3, 1651/3.8=2...(6) HB2 LYS 34 - HG2 LYS 61 OK 13 80 - 16 - 1673/3.0=3, 1651/3.8=2 HB ILE 56 - HG2 LYS 61 OK 13 86 - 15 - 1673/3.0=2, ~8331=2, 1651/3.8=1 Peak 1696 from cnoeabs.peaks (2.07, 1.26, 25.29 ppm; 3.26 A): 2 out of 18 assignments used, quality = 1.00: * HB3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HB3 LYS 61 + HG2 LYS 61 OK 87 87 - 100 - 3.0=100 HB2 PRO 129 - HG3 LYS 61 OK 34 100 - 34 - 1663/3.0=4, 2.3/10269=4...(16) HB2 PRO 129 - HG2 LYS 61 OK 27 85 - 32 - 1663/3.0=4, ~10269=3...(15) HG2 GLU 122 - HG3 LYS 61 OK 19 99 - 19 - 1663/3.0=3, 1652/3.8=2...(6) HB2 LEU 26 - HG3 LYS 61 OK 17 100 - 17 - 1663/3.0=2, 1652/3.8=2...(5) HB2 GLU 131 - HG3 LYS 61 OK 16 72 - 23 - 1663/3.0=3, 4.6/7666=2...(8) HG2 GLU 122 - HG2 LYS 61 OK 16 84 - 19 - 1663/3.0=3, 1652/3.8=2...(6) HB3 GLN 62 - HG3 LYS 61 OK 14 98 - 15 - 4.0/6579=3, 6566/4.9=2...(5) HB2 LEU 26 - HG2 LYS 61 OK 14 87 - 17 - 1663/3.0=2, 1652/3.8=2...(5) HB2 GLU 131 - HG2 LYS 61 OK 13 56 - 22 - 1663/3.0=3, 4.6/7666=2...(8) HB3 GLN 62 - HG2 LYS 61 OK 12 82 - 15 - 4.0/6579=3, 6566/4.9=2...(5) HD2 ARG 49 - HG3 LYS 61 OK 10 100 - 10 - 1652/3.8=1, 1663/3.0=1 HD2 ARG 49 - HG2 LYS 61 poor 9 85 - 10 - 1652/3.8=1, 1663/3.0=1 HG3 PRO 33 - HG3 LYS 61 lone 6 62 - 9 - 1663/3.0=1 HG3 PRO 33 - HG2 LYS 61 lone 4 48 - 9 - 1663/3.0=1 HG2 PRO 118 - HG3 LYS 61 lone 3 72 - 4 - HG2 PRO 118 - HG2 LYS 61 lone 2 56 - 4 - Peak 1697 from cnoeabs.peaks (1.26, 1.26, 25.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 61 + HG3 LYS 61 OK 96 96 - 100 HG2 LYS 61 + HG2 LYS 61 OK 87 87 - 100 Reference assignment not found: HG2 LYS 61 - HG3 LYS 61 Peak 1698 from cnoeabs.peaks (1.26, 1.26, 25.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 HG2 LYS 61 + HG2 LYS 61 OK 80 80 - 100 Peak 1699 from cnoeabs.peaks (1.59, 1.26, 25.29 ppm; 2.87 A): 4 out of 20 assignments used, quality = 1.00: * HD2 LYS 61 + HG3 LYS 61 OK 99 100 - 99 - 3.0=90, 1719/1.8=7...(71) HD3 LYS 61 + HG3 LYS 61 OK 99 100 - 99 - 3.0=90, 1719/1.8=7...(71) HD3 LYS 61 + HG2 LYS 61 OK 86 87 - 98 - 3.0=90, 1706/3.0=7...(71) HD2 LYS 61 + HG2 LYS 61 OK 86 87 - 98 - 3.0=90, 1717/3.0=7...(71) HB2 LEU 97 - HG3 LYS 61 OK 41 77 - 53 - 3198=4, 3.1/3219=4...(30) HB2 LEU 97 - HG2 LYS 61 OK 33 61 - 54 - 3198=4, 3198/1.8=3...(32) HB2 LEU 79 - HG3 LYS 61 lone 10 100 - 10 - ~2375=1 HB2 LEU 79 - HG2 LYS 61 lone 9 86 - 10 - ~2375=1 HG3 ARG 109 - HG3 LYS 61 poor 6 62 - 10 - ~11117=3, 3.9/1694=2...(4) HG3 ARG 109 - HG2 LYS 61 lone 4 48 - 8 - 3.9/1694=1, 1678/3.0=1...(4) HG3 LYS 36 - HG3 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HG2 LYS 61 lone 3 87 - 3 - HG3 LYS 48 - HG3 LYS 61 lone 2 92 - 2 - HG LEU 108 - HG3 LYS 61 lone 2 68 - 3 - HG3 LYS 48 - HG2 LYS 61 lone 2 75 - 2 - HG2 ARG 141 - HG3 LYS 61 lone 1 72 - 2 - HG LEU 108 - HG2 LYS 61 lone 1 52 - 3 - HG2 ARG 144 - HG3 LYS 61 lone 1 89 - 1 - HG2 ARG 141 - HG2 LYS 61 lone 1 56 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 72 - 1 - Peak 1700 from cnoeabs.peaks (1.59, 1.26, 25.29 ppm; 2.87 A): 4 out of 20 assignments used, quality = 1.00: HD2 LYS 61 + HG3 LYS 61 OK 99 100 - 99 - 3.0=90, 1719/1.8=7...(71) * HD3 LYS 61 + HG3 LYS 61 OK 99 100 - 99 - 3.0=90, 1719/1.8=7...(71) HD3 LYS 61 + HG2 LYS 61 OK 86 87 - 98 - 3.0=90, 1706/3.0=7...(71) HD2 LYS 61 + HG2 LYS 61 OK 86 87 - 98 - 3.0=90, 1717/3.0=7...(71) HB2 LEU 97 - HG3 LYS 61 OK 41 77 - 53 - 3198=4, 3.1/3219=4...(30) HB2 LEU 97 - HG2 LYS 61 OK 33 61 - 54 - 3198=4, 3198/1.8=3...(32) HB2 LEU 79 - HG3 LYS 61 lone 10 100 - 10 - ~2375=1 HB2 LEU 79 - HG2 LYS 61 lone 9 86 - 10 - ~2375=1 HG3 ARG 109 - HG3 LYS 61 poor 6 62 - 10 - ~11117=3, 3.9/1694=2...(4) HG3 ARG 109 - HG2 LYS 61 lone 4 48 - 8 - 3.9/1694=1, 1678/3.0=1...(4) HG3 LYS 36 - HG3 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HG2 LYS 61 lone 3 87 - 3 - HG3 LYS 48 - HG3 LYS 61 lone 2 92 - 2 - HG LEU 108 - HG3 LYS 61 lone 2 68 - 3 - HG3 LYS 48 - HG2 LYS 61 lone 2 75 - 2 - HG2 ARG 141 - HG3 LYS 61 lone 1 72 - 2 - HG LEU 108 - HG2 LYS 61 lone 1 52 - 3 - HG2 ARG 144 - HG3 LYS 61 lone 1 89 - 1 - HG2 ARG 141 - HG2 LYS 61 lone 1 56 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 72 - 1 - Peak 1701 from cnoeabs.peaks (2.94, 1.26, 25.29 ppm; 3.35 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 61 + HG3 LYS 61 OK 98 100 - 98 - 3.8=67, 1741/1.8=9...(71) * HE2 LYS 61 + HG3 LYS 61 OK 98 100 - 98 - 3.8=67, 1741/1.8=9...(71) HE3 LYS 61 + HG2 LYS 61 OK 85 87 - 98 - 3.8=67, 1742/1.8=9...(71) HE2 LYS 61 + HG2 LYS 61 OK 85 87 - 98 - 3.8=67, 1731/1.8=9...(71) HB2 HIS 14 - HG3 LYS 61 OK 32 85 - 38 - 11058/4.9=4, ~9856=4...(17) HB2 HIS 14 - HG2 LYS 61 OK 26 68 - 38 - 11058/4.9=4, ~9856=4...(17) HB3 ASN 130 - HG3 LYS 61 OK 11 100 - 11 - ~11296=5, 3.0/11296=3 HB3 ASN 130 - HG2 LYS 61 poor 9 87 - 11 - 3.0/11296=4, ~11296=4 HE3 LYS 93 - HG3 LYS 61 lone 3 98 - 3 - HE3 LYS 93 - HG2 LYS 61 lone 2 82 - 3 - HE2 LYS 93 - HG3 LYS 61 lone 2 62 - 4 - HE3 LYS 85 - HG3 LYS 61 lone 2 89 - 2 - HE2 LYS 85 - HG3 LYS 61 lone 2 68 - 3 - HE2 LYS 93 - HG2 LYS 61 lone 2 48 - 4 - HE3 LYS 85 - HG2 LYS 61 lone 2 72 - 2 - HE2 LYS 85 - HG2 LYS 61 lone 1 52 - 3 - HE3 LYS 48 - HG3 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HG2 LYS 61 lone 1 61 - 1 - Peak 1702 from cnoeabs.peaks (2.94, 1.26, 25.29 ppm; 3.35 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 61 + HG3 LYS 61 OK 98 100 - 98 - 3.8=67, 1741/1.8=9...(71) HE2 LYS 61 + HG3 LYS 61 OK 98 100 - 98 - 3.8=67, 1741/1.8=9...(71) HE3 LYS 61 + HG2 LYS 61 OK 85 87 - 98 - 3.8=67, 1742/1.8=9...(71) HE2 LYS 61 + HG2 LYS 61 OK 85 87 - 98 - 3.8=67, 1731/1.8=9...(71) HB2 HIS 14 - HG3 LYS 61 OK 32 85 - 38 - 11058/4.9=4, ~9856=4...(17) HB2 HIS 14 - HG2 LYS 61 OK 26 68 - 38 - 11058/4.9=4, ~9856=4...(17) HB3 ASN 130 - HG3 LYS 61 OK 11 100 - 11 - ~11296=5, 3.0/11296=3 HB3 ASN 130 - HG2 LYS 61 poor 9 87 - 11 - 3.0/11296=4, ~11296=4 HE3 LYS 93 - HG3 LYS 61 lone 3 98 - 3 - HE3 LYS 93 - HG2 LYS 61 lone 2 82 - 3 - HE2 LYS 93 - HG3 LYS 61 lone 2 62 - 4 - HE3 LYS 85 - HG3 LYS 61 lone 2 89 - 2 - HE2 LYS 85 - HG3 LYS 61 lone 2 68 - 3 - HE2 LYS 93 - HG2 LYS 61 lone 2 48 - 4 - HE3 LYS 85 - HG2 LYS 61 lone 2 72 - 2 - HE2 LYS 85 - HG2 LYS 61 lone 1 52 - 3 - HE3 LYS 48 - HG3 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HG2 LYS 61 lone 1 61 - 1 - Peak 1704 from cnoeabs.peaks (8.42, 1.59, 28.90 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 61 + HD2 LYS 61 OK 94 100 - 94 - 6.2=32, 1682/3.0=18...(33) H LYS 61 + HD3 LYS 61 OK 94 100 - 94 - 6.2=32, 1682/3.0=18...(33) H GLU 75 - HD2 LYS 61 poor 9 72 - 12 - 1671/3.6=3, 1660/3.6=3...(5) H GLU 75 - HD3 LYS 61 poor 9 72 - 12 - 1671/3.6=3, 1660/3.6=3...(5) Peak 1705 from cnoeabs.peaks (3.62, 1.59, 28.90 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 61 + HD3 LYS 61 OK 99 100 - 99 - 5.2=55, 1683/3.0=16...(47) * HA LYS 61 + HD2 LYS 61 OK 99 100 - 99 - 5.2=55, 1683/3.0=16...(47) HA ARG 109 - HD2 LYS 61 OK 45 96 - 46 - 1661/3.6=10, 1672/3.6=10...(15) HA ARG 109 - HD3 LYS 61 OK 45 96 - 46 - 1661/3.6=10, 1672/3.6=10...(15) Peak 1706 from cnoeabs.peaks (1.96, 1.59, 28.90 ppm; 3.12 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=64, 1.8/1677=11...(71) HB2 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=64, 1.8/1677=11...(71) HB3 PRO 98 - HD2 LYS 61 OK 25 96 - 26 - 1673/3.6=4, 1684/3.0=3...(14) HB3 PRO 98 - HD3 LYS 61 OK 25 96 - 26 - 1673/3.6=4, 1684/3.0=3...(14) HB3 MET 11 - HD2 LYS 61 OK 12 98 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB3 MET 11 - HD3 LYS 61 OK 12 98 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB ILE 56 - HD2 LYS 61 lone 9 100 - 9 - 1673/3.6=1, 1684/3.0=1 HB ILE 56 - HD3 LYS 61 lone 9 100 - 9 - 1673/3.6=1, 1684/3.0=1 HB2 LYS 34 - HD2 LYS 61 lone 8 96 - 8 - 1673/3.6=2, 1684/3.0=1...(4) HB2 LYS 34 - HD3 LYS 61 lone 8 96 - 8 - 1673/3.6=2, 1684/3.0=1...(4) Peak 1707 from cnoeabs.peaks (2.07, 1.59, 28.90 ppm; 3.20 A): 2 out of 18 assignments used, quality = 1.00: HB3 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=68, 1.8/1706=12...(69) * HB3 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=68, 1.8/1717=12...(69) HB2 PRO 129 - HD3 LYS 61 OK 15 100 - 15 - 1663/3.6=3, ~10269=2...(7) HB2 PRO 129 - HD2 LYS 61 OK 15 100 - 15 - 1663/3.6=3, ~10269=2...(7) HG2 GLU 122 - HD2 LYS 61 OK 10 99 - 11 - 1663/3.6=2, 1696/3.0=1 HG2 GLU 122 - HD3 LYS 61 OK 10 99 - 11 - 1663/3.6=2, 1696/3.0=1 HB2 LEU 26 - HD2 LYS 61 lone 8 100 - 8 - 1663/3.6=2, 1685/3.0=1 HB2 LEU 26 - HD3 LYS 61 lone 8 100 - 8 - 1663/3.6=2, 1685/3.0=1 HB2 GLU 131 - HD3 LYS 61 poor 8 72 - 11 - 1663/3.6=2, 1672/5.2=1...(5) HB2 GLU 131 - HD2 LYS 61 poor 8 72 - 11 - 1663/3.6=2, 1672/5.2=1...(5) HB3 GLN 62 - HD3 LYS 61 lone 7 98 - 7 - 1663/3.6=2, 6566/6.2=1 HB3 GLN 62 - HD2 LYS 61 lone 7 98 - 7 - 1663/3.6=2, 6566/6.2=1 HG3 PRO 33 - HD3 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2...(4) HG3 PRO 33 - HD2 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2...(4) HD2 ARG 49 - HD2 LYS 61 lone 5 100 - 5 - HD2 ARG 49 - HD3 LYS 61 lone 5 100 - 5 - HG2 PRO 118 - HD3 LYS 61 lone 2 72 - 2 - HG2 PRO 118 - HD2 LYS 61 lone 2 72 - 2 - Peak 1708 from cnoeabs.peaks (1.26, 1.59, 28.90 ppm; 2.71 A): 4 out of 12 assignments used, quality = 1.00: HG2 LYS 61 + HD3 LYS 61 OK 95 100 - 95 - 3.0=76, 1689/1.8=6...(67) * HG2 LYS 61 + HD2 LYS 61 OK 95 100 - 95 - 3.0=76, 1689/1.8=6...(67) HG3 LYS 61 + HD2 LYS 61 OK 91 96 - 95 - 3.0=76, 1.8/1688=6...(67) HG3 LYS 61 + HD3 LYS 61 OK 91 96 - 95 - 3.0=76, 1.8/1688=6...(67) HB3 LEU 97 - HD2 LYS 61 OK 34 92 - 37 - 1664/3.6=2, 3204/1.8=2...(10) HB3 LEU 97 - HD3 LYS 61 OK 33 92 - 36 - 1664/3.6=2, 3204/1.8=2...(10) HB2 LEU 132 - HD2 LYS 61 OK 19 99 - 19 - 1675/3.6=2, 1664/3.6=2...(6) HB2 LEU 132 - HD3 LYS 61 OK 19 99 - 19 - 1675/3.6=2, 1664/3.6=2...(6) QG2 THR 99 - HD2 LYS 61 lone 4 96 - 4 - QG2 THR 99 - HD3 LYS 61 lone 4 96 - 4 - QG2 THR 102 - HD2 LYS 61 lone 2 100 - 2 - QG2 THR 102 - HD3 LYS 61 lone 2 100 - 2 - Peak 1709 from cnoeabs.peaks (1.26, 1.59, 28.90 ppm; 2.84 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 61 + HD2 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1689=7...(67) HG3 LYS 61 + HD3 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1689=7...(67) HG2 LYS 61 + HD3 LYS 61 OK 94 96 - 98 - 3.0=88, 1.8/1699=7...(67) HG2 LYS 61 + HD2 LYS 61 OK 94 96 - 98 - 3.0=88, 1.8/1700=7...(67) HB3 LEU 97 - HD2 LYS 61 OK 41 100 - 42 - 3204/1.8=3, 1665/3.6=3...(20) HB3 LEU 97 - HD3 LYS 61 OK 41 100 - 41 - 3204/1.8=3, 1665/3.6=3...(20) HB2 LEU 132 - HD2 LYS 61 OK 22 100 - 22 - 1676/3.6=2, 1665/3.6=2...(12) HB2 LEU 132 - HD3 LYS 61 OK 22 100 - 22 - 1676/3.6=2, 1665/3.6=2...(12) QG2 THR 99 - HD2 LYS 61 lone 6 100 - 6 - QG2 THR 99 - HD3 LYS 61 lone 6 100 - 6 - QG2 THR 102 - HD2 LYS 61 lone 2 89 - 2 - QG2 THR 102 - HD3 LYS 61 lone 2 89 - 2 - Peak 1710 from cnoeabs.peaks (1.59, 1.59, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 * HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Peak 1711 from cnoeabs.peaks (1.59, 1.59, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Reference assignment not found: HD3 LYS 61 - HD2 LYS 61 Peak 1712 from cnoeabs.peaks (2.94, 1.59, 28.90 ppm; 2.55 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) HE3 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) * HE2 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HE2 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HB2 HIS 14 - HD2 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB2 HIS 14 - HD3 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB3 ASN 130 - HD2 LYS 61 lone 2 100 - 2 - HB3 ASN 130 - HD3 LYS 61 lone 2 100 - 2 - HE3 LYS 93 - HD2 LYS 61 lone 2 98 - 2 - HE3 LYS 93 - HD3 LYS 61 lone 2 98 - 2 - HE2 LYS 93 - HD2 LYS 61 lone 1 62 - 2 - HE2 LYS 93 - HD3 LYS 61 lone 1 62 - 2 - HE3 LYS 85 - HD2 LYS 61 lone 1 89 - 1 - HE3 LYS 85 - HD3 LYS 61 lone 1 89 - 1 - HE2 LYS 85 - HD2 LYS 61 lone 1 68 - 1 - HE2 LYS 85 - HD3 LYS 61 lone 1 68 - 1 - HE3 LYS 48 - HD2 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HD3 LYS 61 lone 1 77 - 1 - Peak 1713 from cnoeabs.peaks (2.94, 1.59, 28.90 ppm; 2.55 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) HE3 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) HE2 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HE2 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HB2 HIS 14 - HD2 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB2 HIS 14 - HD3 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB3 ASN 130 - HD2 LYS 61 lone 2 100 - 2 - HB3 ASN 130 - HD3 LYS 61 lone 2 100 - 2 - HE3 LYS 93 - HD2 LYS 61 lone 2 98 - 2 - HE3 LYS 93 - HD3 LYS 61 lone 2 98 - 2 - HE2 LYS 93 - HD2 LYS 61 lone 1 62 - 2 - HE2 LYS 93 - HD3 LYS 61 lone 1 62 - 2 - HE3 LYS 85 - HD2 LYS 61 lone 1 89 - 1 - HE3 LYS 85 - HD3 LYS 61 lone 1 89 - 1 - HE2 LYS 85 - HD2 LYS 61 lone 1 68 - 1 - HE2 LYS 85 - HD3 LYS 61 lone 1 68 - 1 - HE3 LYS 48 - HD2 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HD3 LYS 61 lone 1 77 - 1 - Peak 1715 from cnoeabs.peaks (8.42, 1.59, 28.90 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: H LYS 61 + HD2 LYS 61 OK 94 100 - 94 - 6.2=32, 1682/3.0=18...(33) * H LYS 61 + HD3 LYS 61 OK 94 100 - 94 - 6.2=32, 1682/3.0=18...(33) H GLU 75 - HD2 LYS 61 poor 9 72 - 12 - 1671/3.6=3, 1660/3.6=3...(5) H GLU 75 - HD3 LYS 61 poor 9 72 - 12 - 1671/3.6=3, 1660/3.6=3...(5) Peak 1716 from cnoeabs.peaks (3.62, 1.59, 28.90 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 61 + HD3 LYS 61 OK 99 100 - 99 - 5.2=55, 1683/3.0=16...(47) HA LYS 61 + HD2 LYS 61 OK 99 100 - 99 - 5.2=55, 1683/3.0=16...(47) HA ARG 109 - HD2 LYS 61 OK 45 96 - 46 - 1661/3.6=10, 1672/3.6=10...(15) HA ARG 109 - HD3 LYS 61 OK 45 96 - 46 - 1661/3.6=10, 1672/3.6=10...(15) Peak 1717 from cnoeabs.peaks (1.96, 1.59, 28.90 ppm; 3.12 A): 2 out of 10 assignments used, quality = 1.00: HB2 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=64, 1.8/1677=11...(71) * HB2 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=64, 1.8/1677=11...(71) HB3 PRO 98 - HD2 LYS 61 OK 25 96 - 26 - 1673/3.6=4, 1684/3.0=3...(14) HB3 PRO 98 - HD3 LYS 61 OK 25 96 - 26 - 1673/3.6=4, 1684/3.0=3...(14) HB3 MET 11 - HD2 LYS 61 OK 12 98 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB3 MET 11 - HD3 LYS 61 OK 12 98 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB ILE 56 - HD2 LYS 61 lone 9 100 - 9 - 1673/3.6=1, 1684/3.0=1 HB ILE 56 - HD3 LYS 61 lone 9 100 - 9 - 1673/3.6=1, 1684/3.0=1 HB2 LYS 34 - HD2 LYS 61 lone 8 96 - 8 - 1673/3.6=2, 1684/3.0=1...(4) HB2 LYS 34 - HD3 LYS 61 lone 8 96 - 8 - 1673/3.6=2, 1684/3.0=1...(4) Peak 1718 from cnoeabs.peaks (2.07, 1.59, 28.90 ppm; 3.20 A): 2 out of 18 assignments used, quality = 1.00: * HB3 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=68, 1.8/1706=12...(69) HB3 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=68, 1.8/1717=12...(69) HB2 PRO 129 - HD3 LYS 61 OK 15 100 - 15 - 1663/3.6=3, ~10269=2...(7) HB2 PRO 129 - HD2 LYS 61 OK 15 100 - 15 - 1663/3.6=3, ~10269=2...(7) HG2 GLU 122 - HD2 LYS 61 OK 10 99 - 11 - 1663/3.6=2, 1696/3.0=1 HG2 GLU 122 - HD3 LYS 61 OK 10 99 - 11 - 1663/3.6=2, 1696/3.0=1 HB2 LEU 26 - HD2 LYS 61 lone 8 100 - 8 - 1663/3.6=2, 1685/3.0=1 HB2 LEU 26 - HD3 LYS 61 lone 8 100 - 8 - 1663/3.6=2, 1685/3.0=1 HB2 GLU 131 - HD3 LYS 61 poor 8 72 - 11 - 1663/3.6=2, 1672/5.2=1...(5) HB2 GLU 131 - HD2 LYS 61 poor 8 72 - 11 - 1663/3.6=2, 1672/5.2=1...(5) HB3 GLN 62 - HD3 LYS 61 lone 7 98 - 7 - 1663/3.6=2, 6566/6.2=1 HB3 GLN 62 - HD2 LYS 61 lone 7 98 - 7 - 1663/3.6=2, 6566/6.2=1 HG3 PRO 33 - HD3 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2...(4) HG3 PRO 33 - HD2 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2...(4) HD2 ARG 49 - HD2 LYS 61 lone 5 100 - 5 - HD2 ARG 49 - HD3 LYS 61 lone 5 100 - 5 - HG2 PRO 118 - HD3 LYS 61 lone 2 72 - 2 - HG2 PRO 118 - HD2 LYS 61 lone 2 72 - 2 - Peak 1719 from cnoeabs.peaks (1.26, 1.59, 28.90 ppm; 2.71 A): 4 out of 12 assignments used, quality = 1.00: * HG2 LYS 61 + HD3 LYS 61 OK 95 100 - 95 - 3.0=76, 1689/1.8=6...(67) HG2 LYS 61 + HD2 LYS 61 OK 95 100 - 95 - 3.0=76, 1689/1.8=6...(67) HG3 LYS 61 + HD2 LYS 61 OK 91 96 - 95 - 3.0=76, 1.8/1688=6...(67) HG3 LYS 61 + HD3 LYS 61 OK 91 96 - 95 - 3.0=76, 1.8/1688=6...(67) HB3 LEU 97 - HD2 LYS 61 OK 34 92 - 37 - 1664/3.6=2, 3204/1.8=2...(10) HB3 LEU 97 - HD3 LYS 61 OK 33 92 - 36 - 1664/3.6=2, 3204/1.8=2...(10) HB2 LEU 132 - HD2 LYS 61 OK 19 99 - 19 - 1675/3.6=2, 1664/3.6=2...(6) HB2 LEU 132 - HD3 LYS 61 OK 19 99 - 19 - 1675/3.6=2, 1664/3.6=2...(6) QG2 THR 99 - HD2 LYS 61 lone 4 96 - 4 - QG2 THR 99 - HD3 LYS 61 lone 4 96 - 4 - QG2 THR 102 - HD2 LYS 61 lone 2 100 - 2 - QG2 THR 102 - HD3 LYS 61 lone 2 100 - 2 - Peak 1720 from cnoeabs.peaks (1.26, 1.59, 28.90 ppm; 2.84 A): 4 out of 12 assignments used, quality = 1.00: HG3 LYS 61 + HD2 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1689=7...(67) * HG3 LYS 61 + HD3 LYS 61 OK 98 100 - 98 - 3.0=88, 1.8/1689=7...(67) HG2 LYS 61 + HD3 LYS 61 OK 94 96 - 98 - 3.0=88, 1.8/1699=7...(67) HG2 LYS 61 + HD2 LYS 61 OK 94 96 - 98 - 3.0=88, 1.8/1700=7...(67) HB3 LEU 97 - HD2 LYS 61 OK 41 100 - 42 - 3204/1.8=3, 1665/3.6=3...(20) HB3 LEU 97 - HD3 LYS 61 OK 41 100 - 41 - 3204/1.8=3, 1665/3.6=3...(20) HB2 LEU 132 - HD2 LYS 61 OK 22 100 - 22 - 1676/3.6=2, 1665/3.6=2...(12) HB2 LEU 132 - HD3 LYS 61 OK 22 100 - 22 - 1676/3.6=2, 1665/3.6=2...(12) QG2 THR 99 - HD2 LYS 61 lone 6 100 - 6 - QG2 THR 99 - HD3 LYS 61 lone 6 100 - 6 - QG2 THR 102 - HD2 LYS 61 lone 2 89 - 2 - QG2 THR 102 - HD3 LYS 61 lone 2 89 - 2 - Peak 1721 from cnoeabs.peaks (1.59, 1.59, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Reference assignment not found: HD2 LYS 61 - HD3 LYS 61 Peak 1722 from cnoeabs.peaks (1.59, 1.59, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Peak 1723 from cnoeabs.peaks (2.94, 1.59, 28.90 ppm; 2.55 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) HE3 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) HE2 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) * HE2 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HB2 HIS 14 - HD2 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB2 HIS 14 - HD3 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB3 ASN 130 - HD2 LYS 61 lone 2 100 - 2 - HB3 ASN 130 - HD3 LYS 61 lone 2 100 - 2 - HE3 LYS 93 - HD2 LYS 61 lone 2 98 - 2 - HE3 LYS 93 - HD3 LYS 61 lone 2 98 - 2 - HE2 LYS 93 - HD2 LYS 61 lone 1 62 - 2 - HE2 LYS 93 - HD3 LYS 61 lone 1 62 - 2 - HE3 LYS 85 - HD2 LYS 61 lone 1 89 - 1 - HE3 LYS 85 - HD3 LYS 61 lone 1 89 - 1 - HE2 LYS 85 - HD2 LYS 61 lone 1 68 - 1 - HE2 LYS 85 - HD3 LYS 61 lone 1 68 - 1 - HE3 LYS 48 - HD2 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HD3 LYS 61 lone 1 77 - 1 - Peak 1724 from cnoeabs.peaks (2.94, 1.59, 28.90 ppm; 2.55 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) * HE3 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1733=7...(32) HE2 LYS 61 + HD2 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HE2 LYS 61 + HD3 LYS 61 OK 84 100 - 84 - 3.0=62, 1.8/1744=7...(32) HB2 HIS 14 - HD2 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB2 HIS 14 - HD3 LYS 61 OK 14 85 - 16 - 3.0/9857=2, 132/3.0=2...(8) HB3 ASN 130 - HD2 LYS 61 lone 2 100 - 2 - HB3 ASN 130 - HD3 LYS 61 lone 2 100 - 2 - HE3 LYS 93 - HD2 LYS 61 lone 2 98 - 2 - HE3 LYS 93 - HD3 LYS 61 lone 2 98 - 2 - HE2 LYS 93 - HD2 LYS 61 lone 1 62 - 2 - HE2 LYS 93 - HD3 LYS 61 lone 1 62 - 2 - HE3 LYS 85 - HD2 LYS 61 lone 1 89 - 1 - HE3 LYS 85 - HD3 LYS 61 lone 1 89 - 1 - HE2 LYS 85 - HD2 LYS 61 lone 1 68 - 1 - HE2 LYS 85 - HD3 LYS 61 lone 1 68 - 1 - HE3 LYS 48 - HD2 LYS 61 lone 1 77 - 1 - HE3 LYS 48 - HD3 LYS 61 lone 1 77 - 1 - Peak 1728 from cnoeabs.peaks (1.96, 2.94, 41.80 ppm; 3.42 A): 2 out of 20 assignments used, quality = 1.00: HB2 LYS 61 + HE3 LYS 61 OK 95 100 - 95 - 4.8=36, 1728/1.8=11...(62) * HB2 LYS 61 + HE2 LYS 61 OK 95 100 - 95 - 4.8=36, 1739/1.8=11...(62) HB3 PRO 98 - HE3 LYS 61 OK 21 96 - 22 - 1739=3, 1673/4.8=3...(10) HB3 PRO 98 - HE2 LYS 61 OK 21 96 - 22 - 1728=3, 1673/4.8=3...(9) HB3 MET 11 - HE3 LYS 61 OK 17 98 - 18 - 4.2/9764=6, 1739=3...(7) HB3 MET 11 - HE2 LYS 61 OK 16 98 - 17 - 4.2/9764=5, 1728=2...(7) HB2 LYS 34 - HE3 LYS 61 OK 13 96 - 13 - 1739=2, 1728/1.8=1...(4) HB2 LYS 34 - HE2 LYS 61 OK 12 96 - 13 - 1728=2, 1739/1.8=1...(4) HB ILE 56 - HE3 LYS 61 OK 11 100 - 11 - 3.2/8335=2, ~8335=1, 1673/4.8=1 HB ILE 56 - HE2 LYS 61 OK 11 100 - 11 - 3.2/8335=2, ~8335=1, 1673/4.8=1 HB3 PRO 98 - HE3 LYS 85 lone 6 59 - 10 - ~9144=2, ~10394=2...(4) HB2 LYS 34 - HE3 LYS 93 lone 4 85 - 5 - 498/10909=2 HB2 LYS 61 - HE3 LYS 93 lone 3 92 - 3 - HB ILE 56 - HE3 LYS 93 lone 2 91 - 2 - HB2 LYS 61 - HE3 LYS 85 lone 1 65 - 2 - HB2 LYS 34 - HE3 LYS 85 lone 1 59 - 1 - HB3 MET 11 - HE3 LYS 93 lone 1 87 - 1 - HB3 PRO 98 - HE3 LYS 93 lone 1 85 - 1 - HB ILE 56 - HE3 LYS 85 lone 0 65 - 1 - HB3 MET 11 - HE3 LYS 85 lone 0 61 - 1 - Peak 1729 from cnoeabs.peaks (2.07, 2.94, 41.80 ppm; 3.96 A): 2 out of 36 assignments used, quality = 1.00: HB3 LYS 61 + HE3 LYS 61 OK 99 100 - 99 - 4.8=56, 1.8/1739=13...(60) * HB3 LYS 61 + HE2 LYS 61 OK 99 100 - 99 - 4.8=56, 1.8/1728=13...(60) HB2 PRO 129 - HE3 LYS 61 OK 19 100 - 19 - 1663/4.8=3, 1696/3.8=2...(9) HB2 PRO 129 - HE2 LYS 61 OK 19 100 - 19 - 1663/4.8=3, 1696/3.8=2...(9) HG3 PRO 33 - HE3 LYS 61 OK 19 62 - 30 - 2.3/9787=6, ~9787=5...(11) HG3 PRO 33 - HE2 LYS 61 OK 18 62 - 29 - ~9787=5, 2.3/9787=5...(12) HG2 GLU 122 - HE3 LYS 61 OK 16 99 - 16 - 1663/4.8=2, 1740=1...(9) HG2 GLU 122 - HE2 LYS 61 OK 15 99 - 16 - 1663/4.8=2, 1729=2...(9) HB2 LEU 26 - HE3 LYS 93 OK 15 92 - 17 - 3.0/11141=3, 247/3.0=2...(6) HB2 LEU 26 - HE2 LYS 61 OK 15 100 - 15 - 1663/4.8=2, 1729=2...(7) HB2 LEU 26 - HE3 LYS 61 OK 15 100 - 15 - 1663/4.8=2, 1740=2...(7) HB2 GLU 131 - HE2 LYS 61 OK 12 72 - 16 - 1663/4.8=2, 4.0/7646=2...(9) HB2 GLU 131 - HE3 LYS 61 OK 12 72 - 16 - 1663/4.8=2, 4.0/7646=2...(9) HB3 GLN 62 - HE2 LYS 61 lone 10 98 - 10 - 6566/7.2=2, 1663/4.8=2...(5) HB3 GLN 62 - HE3 LYS 61 lone 9 98 - 10 - 6566/7.2=2, 1663/4.8=2...(5) HD2 ARG 49 - HE3 LYS 61 lone 8 100 - 8 - 1652/5.8=1, 1663/4.8=1 HD2 ARG 49 - HE2 LYS 61 lone 8 100 - 8 - 1652/5.8=1, 1663/4.8=1 HB2 GLU 131 - HE3 LYS 93 poor 6 61 - 11 - ~9569=2, ~9566=2...(6) HB2 GLU 131 - HE3 LYS 85 poor 6 40 - 14 - ~9569=3, ~9566=2...(7) HB2 LEU 26 - HE3 LYS 85 lone 5 65 - 8 - ~10961=3 HB3 LYS 61 - HE3 LYS 93 lone 5 92 - 5 - HG2 GLU 122 - HE3 LYS 85 lone 4 63 - 6 - 4082/3.5=1 HG2 PRO 118 - HE3 LYS 61 lone 3 72 - 4 - HG2 PRO 118 - HE2 LYS 61 lone 3 72 - 4 - HB3 GLN 62 - HE3 LYS 93 lone 3 87 - 3 - HB3 LYS 61 - HE3 LYS 85 lone 2 65 - 4 - HB2 PRO 129 - HE3 LYS 93 lone 2 90 - 3 - 4.1/7625=1 HG2 GLU 122 - HE3 LYS 93 lone 2 89 - 2 - HD2 ARG 49 - HE3 LYS 93 lone 2 90 - 2 - HG3 PRO 33 - HE3 LYS 93 lone 2 52 - 3 - HB3 GLN 62 - HE3 LYS 85 lone 1 61 - 2 - HG2 PRO 118 - HE3 LYS 93 lone 1 61 - 2 - HB2 PRO 129 - HE3 LYS 85 lone 1 64 - 2 - HG2 PRO 118 - HE3 LYS 85 lone 1 40 - 2 - HD2 ARG 49 - HE3 LYS 85 lone 1 64 - 1 - HG3 PRO 33 - HE3 LYS 85 lone 0 34 - 1 - Peak 1730 from cnoeabs.peaks (1.26, 2.94, 41.80 ppm; 2.62 A): 4 out of 24 assignments used, quality = 1.00: HG2 LYS 61 + HE3 LYS 61 OK 86 100 - 86 - 3.8=32, 1.8/1742=6...(75) * HG2 LYS 61 + HE2 LYS 61 OK 86 100 - 86 - 3.8=32, 1741/1.8=6...(75) HG3 LYS 61 + HE3 LYS 61 OK 83 96 - 86 - 3.8=32, 1.8/1741=6...(74) HG3 LYS 61 + HE2 LYS 61 OK 83 96 - 86 - 3.8=32, 1.8/1730=6...(74) HB3 LEU 97 - HE2 LYS 61 OK 18 92 - 19 - 1731=2, 1.8/1732=2...(7) HB3 LEU 97 - HE3 LYS 61 OK 18 92 - 19 - 1742=2, 1.8/1743=2...(7) HB2 LEU 132 - HE3 LYS 61 OK 15 99 - 15 - 3.2/8335=3, ~8335=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 14 99 - 15 - 3.2/8335=3, ~8335=2...(8) QG2 THR 99 - HE3 LYS 93 OK 11 85 - 13 - 10116=3, 9154/3.0=2...(5) QG2 THR 99 - HE3 LYS 61 lone 5 96 - 5 - 10158/1.8=3 QG2 THR 99 - HE2 LYS 61 lone 5 96 - 5 - 10158/1.8=3 QG2 THR 102 - HE3 LYS 85 lone 4 64 - 6 - HB3 LEU 97 - HE3 LYS 93 lone 3 80 - 4 - QG2 THR 102 - HE3 LYS 93 lone 3 90 - 3 - HB2 LEU 132 - HE3 LYS 93 lone 3 89 - 3 - HG2 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG3 LYS 61 - HE3 LYS 93 lone 2 85 - 2 - QG2 THR 99 - HE3 LYS 85 lone 1 59 - 2 - HG2 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - QG2 THR 102 - HE2 LYS 61 lone 1 100 - 1 - QG2 THR 102 - HE3 LYS 61 lone 1 100 - 1 - HB2 LEU 132 - HE3 LYS 85 lone 1 63 - 2 - HG3 LYS 61 - HE3 LYS 85 lone 1 59 - 1 - HB3 LEU 97 - HE3 LYS 85 lone 0 55 - 1 - Peak 1731 from cnoeabs.peaks (1.26, 2.94, 41.80 ppm; 2.82 A): 4 out of 24 assignments used, quality = 1.00: HG3 LYS 61 + HE3 LYS 61 OK 91 100 - 91 - 3.8=40, 1731/1.8=7...(75) * HG3 LYS 61 + HE2 LYS 61 OK 91 100 - 91 - 3.8=40, 1742/1.8=7...(75) HG2 LYS 61 + HE3 LYS 61 OK 88 96 - 91 - 3.8=40, 1.8/1742=7...(75) HG2 LYS 61 + HE2 LYS 61 OK 88 96 - 91 - 3.8=40, 1.8/1731=7...(75) HB3 LEU 97 - HE2 LYS 61 OK 25 100 - 25 - 1731=3, 11426/5.8=2...(8) HB3 LEU 97 - HE3 LYS 61 OK 25 100 - 25 - 1742=3, 11426/5.8=2...(8) HB2 LEU 132 - HE3 LYS 61 OK 18 100 - 18 - 3.2/8335=4, ~8335=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 18 100 - 18 - 3.2/8335=4, ~8335=2...(8) QG2 THR 99 - HE3 LYS 93 OK 15 92 - 17 - 10116=5, 10116/1.8=3...(5) QG2 THR 99 - HE3 LYS 61 lone 6 100 - 6 - 10158/1.8=3 QG2 THR 99 - HE2 LYS 61 lone 6 100 - 6 - 10158/1.8=3 HB3 LEU 97 - HE3 LYS 93 lone 5 91 - 5 - 3206/3.0=1 QG2 THR 102 - HE3 LYS 85 lone 4 52 - 7 - HB2 LEU 132 - HE3 LYS 93 lone 4 91 - 4 - QG2 THR 102 - HE3 LYS 93 lone 3 77 - 4 - HG3 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG2 LYS 61 - HE3 LYS 93 lone 2 85 - 2 - QG2 THR 99 - HE3 LYS 85 lone 2 65 - 2 - HG3 LYS 61 - HE3 LYS 85 lone 1 65 - 2 - HB2 LEU 132 - HE3 LYS 85 lone 1 65 - 2 - HG2 LYS 61 - HE3 LYS 85 lone 1 59 - 2 - QG2 THR 102 - HE2 LYS 61 lone 1 89 - 1 - QG2 THR 102 - HE3 LYS 61 lone 1 89 - 1 - HB3 LEU 97 - HE3 LYS 85 lone 1 65 - 1 - Peak 1732 from cnoeabs.peaks (1.59, 2.94, 41.80 ppm; 2.50 A): 4 out of 40 assignments used, quality = 1.00: HD2 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) * HD2 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HG3 LYS 48 - HE3 LYS 93 OK 39 80 - 49 - 1189/3.0=4, 1191/1.8=3...(22) HB2 LEU 97 - HE3 LYS 61 OK 17 77 - 23 - 1743=2, 1732/1.8=2...(7) HB2 LEU 97 - HE2 LYS 61 OK 17 77 - 23 - 1732=2, 1743/1.8=2...(7) HG3 LYS 48 - HE3 LYS 85 OK 17 55 - 32 - 1191/1.8=2, ~1180=1...(9) HB2 LEU 79 - HE2 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE3 LYS 61 lone 7 100 - 7 - HG3 LYS 36 - HE3 LYS 93 lone 7 92 - 8 - HG3 ARG 109 - HE3 LYS 85 poor 6 34 - 18 - HG3 LYS 36 - HE3 LYS 85 lone 5 65 - 7 - HG2 ARG 141 - HE3 LYS 93 lone 4 61 - 7 - HG3 LYS 36 - HE2 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HE3 LYS 61 lone 3 100 - 3 - HB2 LEU 97 - HE3 LYS 93 lone 2 65 - 3 - HG3 LYS 48 - HE2 LYS 61 lone 2 92 - 2 - HG3 LYS 48 - HE3 LYS 61 lone 2 92 - 2 - HD2 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HD3 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG3 ARG 109 - HE2 LYS 61 lone 1 62 - 2 - HG3 ARG 109 - HE3 LYS 61 lone 1 62 - 2 - HB2 LEU 79 - HE3 LYS 85 lone 1 65 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 68 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 68 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 1 52 - 2 - HB2 LEU 79 - HE3 LYS 93 lone 1 91 - 1 - HG2 ARG 141 - HE3 LYS 61 lone 1 72 - 1 - HG2 ARG 141 - HE2 LYS 61 lone 1 72 - 1 - HD2 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HD3 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HG2 ARG 144 - HE3 LYS 93 lone 1 77 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 89 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 89 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 0 52 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 0 40 - 1 - HG LEU 108 - HE3 LYS 85 lone 0 37 - 1 - HG LEU 108 - HE3 LYS 93 lone 0 57 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 0 43 - 0 - Peak 1733 from cnoeabs.peaks (1.59, 2.94, 41.80 ppm; 2.50 A): 4 out of 40 assignments used, quality = 1.00: HD2 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) * HD3 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HG3 LYS 48 - HE3 LYS 93 OK 39 80 - 49 - 1189/3.0=4, 1191/1.8=3...(22) HB2 LEU 97 - HE3 LYS 61 OK 17 77 - 23 - 1743=2, 1732/1.8=2...(7) HB2 LEU 97 - HE2 LYS 61 OK 17 77 - 23 - 1732=2, 1743/1.8=2...(7) HG3 LYS 48 - HE3 LYS 85 OK 17 55 - 32 - 1191/1.8=2, ~1180=1...(9) HB2 LEU 79 - HE2 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE3 LYS 61 lone 7 100 - 7 - HG3 LYS 36 - HE3 LYS 93 lone 7 92 - 8 - HG3 ARG 109 - HE3 LYS 85 poor 6 34 - 18 - HG3 LYS 36 - HE3 LYS 85 lone 5 65 - 7 - HG2 ARG 141 - HE3 LYS 93 lone 4 61 - 7 - HG3 LYS 36 - HE2 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HE3 LYS 61 lone 3 100 - 3 - HB2 LEU 97 - HE3 LYS 93 lone 2 65 - 3 - HG3 LYS 48 - HE2 LYS 61 lone 2 92 - 2 - HG3 LYS 48 - HE3 LYS 61 lone 2 92 - 2 - HD2 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HD3 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG3 ARG 109 - HE2 LYS 61 lone 1 62 - 2 - HG3 ARG 109 - HE3 LYS 61 lone 1 62 - 2 - HB2 LEU 79 - HE3 LYS 85 lone 1 65 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 68 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 68 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 1 52 - 2 - HB2 LEU 79 - HE3 LYS 93 lone 1 91 - 1 - HG2 ARG 141 - HE3 LYS 61 lone 1 72 - 1 - HG2 ARG 141 - HE2 LYS 61 lone 1 72 - 1 - HD2 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HD3 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HG2 ARG 144 - HE3 LYS 93 lone 1 77 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 89 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 89 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 0 52 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 0 40 - 1 - HG LEU 108 - HE3 LYS 85 lone 0 37 - 1 - HG LEU 108 - HE3 LYS 93 lone 0 57 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 0 43 - 0 - Peak 1734 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 * HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE3 LYS 93 + HE3 LYS 93 OK 87 87 - 100 HE3 LYS 85 + HE3 LYS 85 OK 52 52 - 100 Peak 1735 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE3 LYS 93 + HE3 LYS 93 OK 87 87 - 100 HE3 LYS 85 + HE3 LYS 85 OK 52 52 - 100 Reference assignment not found: HE3 LYS 61 - HE2 LYS 61 Peak 1739 from cnoeabs.peaks (1.96, 2.94, 41.80 ppm; 3.42 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 61 + HE3 LYS 61 OK 95 100 - 95 - 4.8=36, 1728/1.8=11...(62) HB2 LYS 61 + HE2 LYS 61 OK 95 100 - 95 - 4.8=36, 1739/1.8=11...(62) HB3 PRO 98 - HE3 LYS 61 OK 21 96 - 22 - 1739=3, 1673/4.8=3...(10) HB3 PRO 98 - HE2 LYS 61 OK 21 96 - 22 - 1728=3, 1673/4.8=3...(9) HB3 MET 11 - HE3 LYS 61 OK 17 98 - 18 - 4.2/9764=6, 1739=3...(7) HB3 MET 11 - HE2 LYS 61 OK 16 98 - 17 - 4.2/9764=5, 1728=2...(7) HB2 LYS 34 - HE3 LYS 61 OK 13 96 - 13 - 1739=2, 1728/1.8=1...(4) HB2 LYS 34 - HE2 LYS 61 OK 12 96 - 13 - 1728=2, 1739/1.8=1...(4) HB ILE 56 - HE3 LYS 61 OK 11 100 - 11 - 3.2/8335=2, ~8335=1, 1673/4.8=1 HB ILE 56 - HE2 LYS 61 OK 11 100 - 11 - 3.2/8335=2, ~8335=1, 1673/4.8=1 HB3 PRO 98 - HE3 LYS 85 lone 6 59 - 10 - ~9144=2, ~10394=2...(4) HB2 LYS 34 - HE3 LYS 93 lone 4 85 - 5 - 498/10909=2 HB2 LYS 61 - HE3 LYS 93 lone 3 92 - 3 - HB ILE 56 - HE3 LYS 93 lone 2 91 - 2 - HB2 LYS 61 - HE3 LYS 85 lone 1 65 - 2 - HB2 LYS 34 - HE3 LYS 85 lone 1 59 - 1 - HB3 MET 11 - HE3 LYS 93 lone 1 87 - 1 - HB3 PRO 98 - HE3 LYS 93 lone 1 85 - 1 - HB ILE 56 - HE3 LYS 85 lone 0 65 - 1 - HB3 MET 11 - HE3 LYS 85 lone 0 61 - 1 - Peak 1740 from cnoeabs.peaks (2.07, 2.94, 41.80 ppm; 3.96 A): 2 out of 36 assignments used, quality = 1.00: * HB3 LYS 61 + HE3 LYS 61 OK 99 100 - 99 - 4.8=56, 1.8/1739=13...(60) HB3 LYS 61 + HE2 LYS 61 OK 99 100 - 99 - 4.8=56, 1.8/1728=13...(60) HB2 PRO 129 - HE3 LYS 61 OK 19 100 - 19 - 1663/4.8=3, 1696/3.8=2...(9) HB2 PRO 129 - HE2 LYS 61 OK 19 100 - 19 - 1663/4.8=3, 1696/3.8=2...(9) HG3 PRO 33 - HE3 LYS 61 OK 19 62 - 30 - 2.3/9787=6, ~9787=5...(11) HG3 PRO 33 - HE2 LYS 61 OK 18 62 - 29 - ~9787=5, 2.3/9787=5...(12) HG2 GLU 122 - HE3 LYS 61 OK 16 99 - 16 - 1663/4.8=2, 1740=1...(9) HG2 GLU 122 - HE2 LYS 61 OK 15 99 - 16 - 1663/4.8=2, 1729=2...(9) HB2 LEU 26 - HE3 LYS 93 OK 15 92 - 17 - 3.0/11141=3, 247/3.0=2...(6) HB2 LEU 26 - HE2 LYS 61 OK 15 100 - 15 - 1663/4.8=2, 1729=2...(7) HB2 LEU 26 - HE3 LYS 61 OK 15 100 - 15 - 1663/4.8=2, 1740=2...(7) HB2 GLU 131 - HE2 LYS 61 OK 12 72 - 16 - 1663/4.8=2, 4.0/7646=2...(9) HB2 GLU 131 - HE3 LYS 61 OK 12 72 - 16 - 1663/4.8=2, 4.0/7646=2...(9) HB3 GLN 62 - HE2 LYS 61 lone 10 98 - 10 - 6566/7.2=2, 1663/4.8=2...(5) HB3 GLN 62 - HE3 LYS 61 lone 9 98 - 10 - 6566/7.2=2, 1663/4.8=2...(5) HD2 ARG 49 - HE3 LYS 61 lone 8 100 - 8 - 1652/5.8=1, 1663/4.8=1 HD2 ARG 49 - HE2 LYS 61 lone 8 100 - 8 - 1652/5.8=1, 1663/4.8=1 HB2 GLU 131 - HE3 LYS 93 poor 6 61 - 11 - ~9569=2, ~9566=2...(6) HB2 GLU 131 - HE3 LYS 85 poor 6 40 - 14 - ~9569=3, ~9566=2...(7) HB2 LEU 26 - HE3 LYS 85 lone 5 65 - 8 - ~10961=3 HB3 LYS 61 - HE3 LYS 93 lone 5 92 - 5 - HG2 GLU 122 - HE3 LYS 85 lone 4 63 - 6 - 4082/3.5=1 HG2 PRO 118 - HE3 LYS 61 lone 3 72 - 4 - HG2 PRO 118 - HE2 LYS 61 lone 3 72 - 4 - HB3 GLN 62 - HE3 LYS 93 lone 3 87 - 3 - HB3 LYS 61 - HE3 LYS 85 lone 2 65 - 4 - HB2 PRO 129 - HE3 LYS 93 lone 2 90 - 3 - 4.1/7625=1 HG2 GLU 122 - HE3 LYS 93 lone 2 89 - 2 - HD2 ARG 49 - HE3 LYS 93 lone 2 90 - 2 - HG3 PRO 33 - HE3 LYS 93 lone 2 52 - 3 - HB3 GLN 62 - HE3 LYS 85 lone 1 61 - 2 - HG2 PRO 118 - HE3 LYS 93 lone 1 61 - 2 - HB2 PRO 129 - HE3 LYS 85 lone 1 64 - 2 - HG2 PRO 118 - HE3 LYS 85 lone 1 40 - 2 - HD2 ARG 49 - HE3 LYS 85 lone 1 64 - 1 - HG3 PRO 33 - HE3 LYS 85 lone 0 34 - 1 - Peak 1741 from cnoeabs.peaks (1.26, 2.94, 41.80 ppm; 2.62 A): 4 out of 24 assignments used, quality = 1.00: * HG2 LYS 61 + HE3 LYS 61 OK 86 100 - 86 - 3.8=32, 1.8/1742=6...(75) HG2 LYS 61 + HE2 LYS 61 OK 86 100 - 86 - 3.8=32, 1741/1.8=6...(75) HG3 LYS 61 + HE3 LYS 61 OK 83 96 - 86 - 3.8=32, 1.8/1741=6...(74) HG3 LYS 61 + HE2 LYS 61 OK 83 96 - 86 - 3.8=32, 1.8/1730=6...(74) HB3 LEU 97 - HE2 LYS 61 OK 18 92 - 19 - 1731=2, 1.8/1732=2...(7) HB3 LEU 97 - HE3 LYS 61 OK 18 92 - 19 - 1742=2, 1.8/1743=2...(7) HB2 LEU 132 - HE3 LYS 61 OK 15 99 - 15 - 3.2/8335=3, ~8335=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 14 99 - 15 - 3.2/8335=3, ~8335=2...(8) QG2 THR 99 - HE3 LYS 93 OK 11 85 - 13 - 10116=3, 9154/3.0=2...(5) QG2 THR 99 - HE3 LYS 61 lone 5 96 - 5 - 10158/1.8=3 QG2 THR 99 - HE2 LYS 61 lone 5 96 - 5 - 10158/1.8=3 QG2 THR 102 - HE3 LYS 85 lone 4 64 - 6 - HB3 LEU 97 - HE3 LYS 93 lone 3 80 - 4 - QG2 THR 102 - HE3 LYS 93 lone 3 90 - 3 - HB2 LEU 132 - HE3 LYS 93 lone 3 89 - 3 - HG2 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG3 LYS 61 - HE3 LYS 93 lone 2 85 - 2 - QG2 THR 99 - HE3 LYS 85 lone 1 59 - 2 - HG2 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - QG2 THR 102 - HE2 LYS 61 lone 1 100 - 1 - QG2 THR 102 - HE3 LYS 61 lone 1 100 - 1 - HB2 LEU 132 - HE3 LYS 85 lone 1 63 - 2 - HG3 LYS 61 - HE3 LYS 85 lone 1 59 - 1 - HB3 LEU 97 - HE3 LYS 85 lone 0 55 - 1 - Peak 1742 from cnoeabs.peaks (1.26, 2.94, 41.80 ppm; 2.82 A): 4 out of 24 assignments used, quality = 1.00: * HG3 LYS 61 + HE3 LYS 61 OK 91 100 - 91 - 3.8=40, 1731/1.8=7...(75) HG3 LYS 61 + HE2 LYS 61 OK 91 100 - 91 - 3.8=40, 1742/1.8=7...(75) HG2 LYS 61 + HE3 LYS 61 OK 88 96 - 91 - 3.8=40, 1.8/1742=7...(75) HG2 LYS 61 + HE2 LYS 61 OK 88 96 - 91 - 3.8=40, 1.8/1731=7...(75) HB3 LEU 97 - HE2 LYS 61 OK 25 100 - 25 - 1731=3, 11426/5.8=2...(8) HB3 LEU 97 - HE3 LYS 61 OK 25 100 - 25 - 1742=3, 11426/5.8=2...(8) HB2 LEU 132 - HE3 LYS 61 OK 18 100 - 18 - 3.2/8335=4, ~8335=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 18 100 - 18 - 3.2/8335=4, ~8335=2...(8) QG2 THR 99 - HE3 LYS 93 OK 15 92 - 17 - 10116=5, 10116/1.8=3...(5) QG2 THR 99 - HE3 LYS 61 lone 6 100 - 6 - 10158/1.8=3 QG2 THR 99 - HE2 LYS 61 lone 6 100 - 6 - 10158/1.8=3 HB3 LEU 97 - HE3 LYS 93 lone 5 91 - 5 - 3206/3.0=1 QG2 THR 102 - HE3 LYS 85 lone 4 52 - 7 - HB2 LEU 132 - HE3 LYS 93 lone 4 91 - 4 - QG2 THR 102 - HE3 LYS 93 lone 3 77 - 4 - HG3 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG2 LYS 61 - HE3 LYS 93 lone 2 85 - 2 - QG2 THR 99 - HE3 LYS 85 lone 2 65 - 2 - HG3 LYS 61 - HE3 LYS 85 lone 1 65 - 2 - HB2 LEU 132 - HE3 LYS 85 lone 1 65 - 2 - HG2 LYS 61 - HE3 LYS 85 lone 1 59 - 2 - QG2 THR 102 - HE2 LYS 61 lone 1 89 - 1 - QG2 THR 102 - HE3 LYS 61 lone 1 89 - 1 - HB3 LEU 97 - HE3 LYS 85 lone 1 65 - 1 - Peak 1743 from cnoeabs.peaks (1.59, 2.94, 41.80 ppm; 2.50 A): 4 out of 40 assignments used, quality = 1.00: * HD2 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HG3 LYS 48 - HE3 LYS 93 OK 39 80 - 49 - 1189/3.0=4, 1191/1.8=3...(22) HB2 LEU 97 - HE3 LYS 61 OK 17 77 - 23 - 1743=2, 1732/1.8=2...(7) HB2 LEU 97 - HE2 LYS 61 OK 17 77 - 23 - 1732=2, 1743/1.8=2...(7) HG3 LYS 48 - HE3 LYS 85 OK 17 55 - 32 - 1191/1.8=2, ~1180=1...(9) HB2 LEU 79 - HE2 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE3 LYS 61 lone 7 100 - 7 - HG3 LYS 36 - HE3 LYS 93 lone 7 92 - 8 - HG3 ARG 109 - HE3 LYS 85 poor 6 34 - 18 - HG3 LYS 36 - HE3 LYS 85 lone 5 65 - 7 - HG2 ARG 141 - HE3 LYS 93 lone 4 61 - 7 - HG3 LYS 36 - HE2 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HE3 LYS 61 lone 3 100 - 3 - HB2 LEU 97 - HE3 LYS 93 lone 2 65 - 3 - HG3 LYS 48 - HE2 LYS 61 lone 2 92 - 2 - HG3 LYS 48 - HE3 LYS 61 lone 2 92 - 2 - HD2 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HD3 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG3 ARG 109 - HE2 LYS 61 lone 1 62 - 2 - HG3 ARG 109 - HE3 LYS 61 lone 1 62 - 2 - HB2 LEU 79 - HE3 LYS 85 lone 1 65 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 68 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 68 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 1 52 - 2 - HB2 LEU 79 - HE3 LYS 93 lone 1 91 - 1 - HG2 ARG 141 - HE3 LYS 61 lone 1 72 - 1 - HG2 ARG 141 - HE2 LYS 61 lone 1 72 - 1 - HD2 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HD3 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HG2 ARG 144 - HE3 LYS 93 lone 1 77 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 89 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 89 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 0 52 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 0 40 - 1 - HG LEU 108 - HE3 LYS 85 lone 0 37 - 1 - HG LEU 108 - HE3 LYS 93 lone 0 57 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 0 43 - 0 - Peak 1744 from cnoeabs.peaks (1.59, 2.94, 41.80 ppm; 2.50 A): 4 out of 40 assignments used, quality = 1.00: HD2 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) * HD3 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HG3 LYS 48 - HE3 LYS 93 OK 39 80 - 49 - 1189/3.0=4, 1191/1.8=3...(22) HB2 LEU 97 - HE3 LYS 61 OK 17 77 - 23 - 1743=2, 1732/1.8=2...(7) HB2 LEU 97 - HE2 LYS 61 OK 17 77 - 23 - 1732=2, 1743/1.8=2...(7) HG3 LYS 48 - HE3 LYS 85 OK 17 55 - 32 - 1191/1.8=2, ~1180=1...(9) HB2 LEU 79 - HE2 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE3 LYS 61 lone 7 100 - 7 - HG3 LYS 36 - HE3 LYS 93 lone 7 92 - 8 - HG3 ARG 109 - HE3 LYS 85 poor 6 34 - 18 - HG3 LYS 36 - HE3 LYS 85 lone 5 65 - 7 - HG2 ARG 141 - HE3 LYS 93 lone 4 61 - 7 - HG3 LYS 36 - HE2 LYS 61 lone 3 100 - 3 - HG3 LYS 36 - HE3 LYS 61 lone 3 100 - 3 - HB2 LEU 97 - HE3 LYS 93 lone 2 65 - 3 - HG3 LYS 48 - HE2 LYS 61 lone 2 92 - 2 - HG3 LYS 48 - HE3 LYS 61 lone 2 92 - 2 - HD2 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HD3 LYS 61 - HE3 LYS 93 lone 2 92 - 2 - HG3 ARG 109 - HE2 LYS 61 lone 1 62 - 2 - HG3 ARG 109 - HE3 LYS 61 lone 1 62 - 2 - HB2 LEU 79 - HE3 LYS 85 lone 1 65 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 68 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 68 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 1 52 - 2 - HB2 LEU 79 - HE3 LYS 93 lone 1 91 - 1 - HG2 ARG 141 - HE3 LYS 61 lone 1 72 - 1 - HG2 ARG 141 - HE2 LYS 61 lone 1 72 - 1 - HD2 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HD3 LYS 61 - HE3 LYS 85 lone 1 65 - 1 - HG2 ARG 144 - HE3 LYS 93 lone 1 77 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 89 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 89 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 0 52 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 0 40 - 1 - HG LEU 108 - HE3 LYS 85 lone 0 37 - 1 - HG LEU 108 - HE3 LYS 93 lone 0 57 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 0 43 - 0 - Peak 1745 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE3 LYS 93 + HE3 LYS 93 OK 87 87 - 100 HE3 LYS 85 + HE3 LYS 85 OK 52 52 - 100 Reference assignment not found: HE2 LYS 61 - HE3 LYS 61 Peak 1746 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE3 LYS 93 + HE3 LYS 93 OK 87 87 - 100 HE3 LYS 85 + HE3 LYS 85 OK 52 52 - 100 Peak 1748 from cnoeabs.peaks (7.73, 4.66, 53.28 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 62 + HA GLN 62 OK 100 100 - 100 - 2.9=100 H LEU 132 - HA GLN 62 OK 28 100 - 29 - 1756/3.0=6, 1764/3.0=6...(8) H SER 100 - HA GLN 62 OK 17 100 - 16 - 4.1/10125=4, 1756/3.0=3...(5) HD21 ASN 128 - HA GLN 62 OK 14 85 - 16 - 1764/3.0=3, 1756/3.0=3...(5) Peak 1749 from cnoeabs.peaks (4.66, 4.66, 53.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + HA GLN 62 OK 100 100 - 100 Peak 1750 from cnoeabs.peaks (1.93, 4.66, 53.28 ppm; 3.27 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 HB3 LEU 132 - HA GLN 62 OK 33 100 - 33 - 4486/2.9=5, 3.6/1748=3...(15) HG2 PRO 12 - HA GLN 62 OK 28 100 - 28 - 2.3/48=7, 2.3/50=7...(6) HG3 PRO 12 - HA GLN 62 OK 28 100 - 28 - 2.3/48=7, 2.3/50=7...(7) HB3 PRO 52 - HA GLN 62 OK 22 81 - 27 - 1.8/1751=3, 1766/3.0=3...(9) HG2 PRO 52 - HA GLN 62 OK 19 77 - 25 - 2.3/1751=3, 1766/3.0=3...(9) HB2 ARG 140 - HA GLN 62 lone 10 100 - 10 - 4.0/7818=1, 1766/3.0=1 HB2 ARG 89 - HA GLN 62 lone 9 94 - 9 - 1766/3.0=1, 2861/3.0=1 HB2 MET 59 - HA GLN 62 lone 7 94 - 7 - 6586/2.9=2 HB2 PRO 118 - HA GLN 62 lone 5 98 - 5 - HB3 GLU 122 - HA GLN 62 lone 3 62 - 5 - HB2 LYS 86 - HA GLN 62 lone 3 85 - 3 - HG13 ILE 83 - HA GLN 62 lone 3 77 - 4 - HB ILE 136 - HA GLN 62 lone 3 68 - 4 - Peak 1751 from cnoeabs.peaks (2.07, 4.66, 53.28 ppm; 3.49 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HA GLN 62 OK 49 92 - 54 - 4375=8, 1.8/4383=7...(25) HB3 LYS 61 - HA GLN 62 OK 27 98 - 28 - 1681/2.9=9, ~6577=7...(6) HB2 PRO 52 - HA GLN 62 OK 23 68 - 34 - 1759/3.0=5, 1751=4...(14) HG3 PRO 98 - HA GLN 62 OK 16 81 - 19 - ~10145=3, 1751=2...(7) HB2 LEU 26 - HA GLN 62 lone 8 99 - 8 - 1652/4.8=1 HD2 ARG 49 - HA GLN 62 lone 7 100 - 7 - 1652/4.8=1 HG2 GLU 122 - HA GLN 62 lone 6 89 - 7 - 1652/4.8=1 HA ARG 35 - HA GLN 62 lone 2 81 - 3 - Peak 1752 from cnoeabs.peaks (2.29, 4.66, 53.28 ppm; 4.16 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG2 GLU 131 - HA GLN 62 poor 9 68 - 14 - ~4467=3, 6588/2.9=2...(5) HG3 GLU 75 - HA GLN 62 lone 8 100 - 8 - 6589/2.9=3, 1769/3.0=1 HG3 GLU 142 - HA GLN 62 poor 8 68 - 11 - 1.8/10508=3, 3.0/10378=2...(4) HG2 GLU 90 - HA GLN 62 poor 7 62 - 11 - 1.8/1753=1, 1760/3.0=1 HG3 GLU 81 - HA GLN 62 lone 7 100 - 7 - HG2 GLU 120 - HA GLN 62 lone 3 81 - 4 - Peak 1753 from cnoeabs.peaks (2.29, 4.66, 53.28 ppm; 4.16 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG3 GLU 75 - HA GLN 62 lone 8 100 - 8 - 6589/2.9=3, 1769/3.0=1 HG3 GLU 81 - HA GLN 62 lone 7 99 - 7 - HG2 GLU 120 - HA GLN 62 lone 4 92 - 4 - Peak 1756 from cnoeabs.peaks (7.73, 1.93, 32.69 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 4.0=100 H LEU 132 - HB2 GLN 62 OK 39 100 - 39 - 1764/1.8=8, 4.1/8347=6...(12) H SER 100 - HB2 GLN 62 OK 20 100 - 19 - 9166=5, 1748/3.0=3...(8) HD21 ASN 128 - HB2 GLN 62 OK 17 85 - 19 - 1764/1.8=4, 9514/2.9=3...(6) Peak 1757 from cnoeabs.peaks (4.66, 1.93, 32.69 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HA ASN 139 - HB2 GLN 62 OK 23 81 - 28 - 1765/1.8=5, ~11643=5...(9) HA MET 11 - HB2 GLN 62 OK 22 100 - 22 - 1765/1.8=6, 6585/4.0=4...(9) Peak 1758 from cnoeabs.peaks (1.93, 1.93, 32.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 Peak 1759 from cnoeabs.peaks (2.07, 1.93, 32.69 ppm; 2.70 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 1.8=100 HB2 PRO 129 - HB2 GLN 62 OK 32 92 - 34 - 1751/3.0=3, 2.3/1761=2...(20) HB2 PRO 52 - HB2 GLN 62 OK 16 68 - 24 - 1759=4, ~1766=2...(9) HB3 LYS 61 - HB2 GLN 62 OK 12 98 - 12 - 4.6/1756=4, 1751/3.0=2, ~1663=1 HG3 PRO 98 - HB2 GLN 62 poor 9 81 - 11 - 1759=2, 1751/3.0=1 HB2 LEU 26 - HB2 GLN 62 lone 4 99 - 4 - HD2 ARG 49 - HB2 GLN 62 lone 3 100 - 3 - HG2 GLU 122 - HB2 GLN 62 lone 3 89 - 4 - HA ARG 35 - HB2 GLN 62 lone 1 81 - 2 - Peak 1760 from cnoeabs.peaks (2.29, 1.93, 32.69 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLU 75 - HB2 GLN 62 lone 8 100 - 8 - 8643/8347=2, 6589/4.0=1 HG2 GLU 90 - HB2 GLN 62 poor 7 62 - 11 - 1.8/1761=1, 3.8/2916=1 HG3 GLU 81 - HB2 GLN 62 lone 5 100 - 5 - HG3 GLU 142 - HB2 GLN 62 lone 4 68 - 6 - ~10508=1 HG2 GLU 131 - HB2 GLN 62 lone 3 68 - 5 - 6588/4.0=1 HG2 GLU 120 - HB2 GLN 62 lone 3 81 - 4 - Peak 1761 from cnoeabs.peaks (2.29, 1.93, 32.69 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLU 75 - HB2 GLN 62 lone 8 100 - 8 - 8643/8347=1, 6589/4.0=1 HG3 GLU 81 - HB2 GLN 62 lone 5 99 - 5 - HG2 GLU 120 - HB2 GLN 62 lone 3 92 - 4 - Peak 1764 from cnoeabs.peaks (7.73, 2.07, 32.69 ppm; 4.19 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 4.0=100 H LEU 132 - HB3 GLN 62 OK 37 100 - 37 - 1756/1.8=9, 1748/3.0=6...(9) HD21 ASN 128 - HB3 GLN 62 OK 19 85 - 22 - 1756/1.8=4, 9514/2.9=4...(8) H SER 100 - HB3 GLN 62 OK 14 100 - 14 - 1756/1.8=5, 1748/3.0=3...(4) Peak 1765 from cnoeabs.peaks (4.66, 2.07, 32.69 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HA MET 11 - HB3 GLN 62 OK 21 100 - 21 - 1757/1.8=6, 6585/4.0=4...(7) HA ASN 139 - HB3 GLN 62 OK 19 81 - 24 - 1757/1.8=6, ~11643=5...(7) Peak 1766 from cnoeabs.peaks (1.93, 2.07, 32.69 ppm; 2.72 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 1.8=100 HB3 PRO 52 - HB3 GLN 62 OK 22 81 - 27 - ~1759=2, 1358=2...(10) HG2 PRO 52 - HB3 GLN 62 OK 19 77 - 25 - 2.3/1358=2, ~1759=2...(10) HB3 LEU 132 - HB3 GLN 62 OK 18 100 - 18 - 4486/4.0=2, 3.6/1764=2...(6) HG2 PRO 12 - HB3 GLN 62 OK 13 100 - 13 - 8019/3.0=2, ~50=1, ~48=1 HG3 PRO 12 - HB3 GLN 62 OK 12 100 - 12 - 8019/3.0=2, ~50=1, ~48=1 HB2 ARG 140 - HB3 GLN 62 lone 8 100 - 8 - 1.8/1766=1 HB2 ARG 89 - HB3 GLN 62 lone 8 94 - 8 - 1.8/1766=2, 2861/1.8=1 HB2 MET 59 - HB3 GLN 62 lone 7 94 - 7 - HB2 PRO 118 - HB3 GLN 62 lone 4 98 - 4 - HB3 GLU 122 - HB3 GLN 62 lone 3 62 - 4 - HB2 LYS 86 - HB3 GLN 62 lone 2 85 - 2 - HG13 ILE 83 - HB3 GLN 62 lone 2 77 - 2 - HB ILE 136 - HB3 GLN 62 lone 2 68 - 2 - Peak 1767 from cnoeabs.peaks (2.07, 2.07, 32.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 Peak 1768 from cnoeabs.peaks (2.29, 2.07, 32.69 ppm; 3.17 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLU 75 - HB3 GLN 62 lone 7 100 - 7 - 8643/8275=2, 6589/4.0=1 HG2 GLU 90 - HB3 GLN 62 lone 5 62 - 8 - 1.8/1769=1, 1760/1.8=1 HG3 GLU 81 - HB3 GLN 62 lone 5 100 - 5 - 9969/8759=1 HG3 GLU 142 - HB3 GLN 62 lone 4 68 - 5 - HG2 GLU 131 - HB3 GLN 62 lone 3 68 - 5 - 6588/4.0=1 HG2 GLU 120 - HB3 GLN 62 lone 2 81 - 3 - Peak 1769 from cnoeabs.peaks (2.29, 2.07, 32.69 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLU 75 - HB3 GLN 62 lone 8 100 - 7 - 8643/8275=2, 6589/4.0=1 HG3 GLU 81 - HB3 GLN 62 lone 5 99 - 5 - 9969/8759=1 HG2 GLU 120 - HB3 GLN 62 lone 3 92 - 3 - Peak 1772 from cnoeabs.peaks (7.73, 2.29, 33.54 ppm; 4.28 A): 2 out of 8 assignments used, quality = 0.99: * H GLN 62 + HG2 GLN 62 OK 89 100 - 89 - 4.9=66, 1756/2.9=19...(14) H GLN 62 + HG3 GLN 62 OK 87 98 - 89 - 4.9=66, 1756/2.9=19...(14) H LEU 132 - HG2 GLN 62 OK 36 100 - 37 - 1756/2.9=8, 1764/2.9=7...(10) H LEU 132 - HG3 GLN 62 OK 36 98 - 37 - 1756/2.9=8, 1764/2.9=7...(10) HD21 ASN 128 - HG2 GLN 62 OK 25 85 - 30 - 9514=5, 1.7/9511=5...(11) HD21 ASN 128 - HG3 GLN 62 OK 25 81 - 30 - 9514=5, 9514/1.8=4...(12) H SER 100 - HG2 GLN 62 OK 12 100 - 12 - 1756/2.9=4, 1748/3.9=3 H SER 100 - HG3 GLN 62 OK 12 98 - 12 - 1756/2.9=4, 1748/3.9=3 Peak 1773 from cnoeabs.peaks (4.66, 2.29, 33.54 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 62 + HG2 GLN 62 OK 99 100 - 99 - 3.9=99 HA GLN 62 + HG3 GLN 62 OK 97 98 - 99 - 3.9=99 HA ASN 139 - HG2 GLN 62 OK 20 81 - 25 - 3.0/11643=7, ~11643=5...(6) HA ASN 139 - HG3 GLN 62 OK 19 77 - 25 - 3.0/11643=6, ~11643=6...(6) HA MET 11 - HG2 GLN 62 OK 13 100 - 13 - 1757/2.9=5, 1765/2.9=4 HA MET 11 - HG3 GLN 62 OK 12 97 - 13 - 1757/2.9=5, 1765/2.9=4 Peak 1774 from cnoeabs.peaks (1.93, 2.29, 33.54 ppm; 3.22 A): 2 out of 28 assignments used, quality = 1.00: * HB2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 2.9=100 HB2 GLN 62 + HG3 GLN 62 OK 98 98 - 100 - 2.9=100 HB3 LEU 132 - HG2 GLN 62 OK 26 100 - 26 - 4486/4.9=3, 1766/2.9=2...(11) HB3 LEU 132 - HG3 GLN 62 OK 25 98 - 26 - 4486/4.9=3, 1766/2.9=2...(11) HB3 PRO 52 - HG2 GLN 62 OK 24 81 - 30 - 1.8/1775=3, 1766/2.9=3...(12) HB3 PRO 52 - HG3 GLN 62 OK 23 77 - 30 - 1.8/1783=3, 1766/2.9=3...(12) HG2 PRO 52 - HG2 GLN 62 OK 21 77 - 27 - 2.3/1775=3, 1766/2.9=3...(12) HG2 PRO 52 - HG3 GLN 62 OK 20 73 - 27 - 2.3/1783=3, 1766/2.9=3...(12) HB2 MET 59 - HG2 GLN 62 OK 12 94 - 13 - 4.8/9852=4, 3.0/10931=2 HB2 MET 59 - HG3 GLN 62 OK 12 90 - 13 - 4.8/9852=4, 3.0/10931=2 HG2 PRO 12 - HG2 GLN 62 OK 10 100 - 10 - 8019/3.9=2, 1766/2.9=2 HG2 PRO 12 - HG3 GLN 62 OK 10 98 - 10 - 8019/3.9=2, 1766/2.9=2 HG3 PRO 12 - HG2 GLN 62 lone 10 100 - 10 - 8019/3.9=2, 1766/2.9=2 HG3 PRO 12 - HG3 GLN 62 lone 10 97 - 10 - 8019/3.9=2, 1766/2.9=2 HB2 ARG 140 - HG2 GLN 62 lone 9 100 - 9 - 1766/2.9=1 HB2 ARG 89 - HG2 GLN 62 lone 9 94 - 10 - 1766/2.9=1, 2861/2.9=1 HB2 ARG 140 - HG3 GLN 62 lone 9 98 - 9 - 1766/2.9=1 HB2 ARG 89 - HG3 GLN 62 lone 9 90 - 9 - 1766/2.9=1, 2861/2.9=1 HB2 PRO 118 - HG2 GLN 62 lone 5 98 - 5 - 6603/3.5=1 HB2 PRO 118 - HG3 GLN 62 lone 5 95 - 5 - 6603/3.5=1 HB ILE 136 - HG2 GLN 62 lone 3 68 - 4 - HB ILE 136 - HG3 GLN 62 lone 3 63 - 4 - HG13 ILE 83 - HG2 GLN 62 lone 2 77 - 3 - HB3 GLU 122 - HG2 GLN 62 lone 2 62 - 4 - HG13 ILE 83 - HG3 GLN 62 lone 2 73 - 3 - HB3 GLU 122 - HG3 GLN 62 lone 2 59 - 4 - HB2 LYS 86 - HG2 GLN 62 lone 2 85 - 3 - HB2 LYS 86 - HG3 GLN 62 lone 2 81 - 2 - Peak 1775 from cnoeabs.peaks (2.07, 2.29, 33.54 ppm; 3.19 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 2.9=100 HB3 GLN 62 + HG3 GLN 62 OK 98 98 - 100 - 2.9=100 HB2 PRO 129 - HG2 GLN 62 OK 43 92 - 47 - 1759/2.9=5, 4379=4...(30) HB2 PRO 129 - HG3 GLN 62 OK 41 88 - 46 - 1759/2.9=5, 4379=4...(30) HB2 PRO 52 - HG2 GLN 62 OK 21 68 - 31 - 1775=4, 1759/2.9=4...(12) HB2 PRO 52 - HG3 GLN 62 OK 20 63 - 31 - 1783=4, 1759/2.9=4...(12) HB3 LYS 61 - HG2 GLN 62 OK 17 98 - 17 - 4.6/6589=5, 1759/2.9=2...(5) HB3 LYS 61 - HG3 GLN 62 OK 16 95 - 17 - 4.6/6589=5, 1759/2.9=2...(5) HG3 PRO 98 - HG2 GLN 62 OK 12 81 - 15 - 1775=2, 1759/2.9=2...(5) HG3 PRO 98 - HG3 GLN 62 OK 11 77 - 15 - 1783=2, 1759/2.9=2...(4) HD2 ARG 49 - HG2 GLN 62 lone 4 100 - 4 - HB2 LEU 26 - HG2 GLN 62 lone 4 99 - 4 - HD2 ARG 49 - HG3 GLN 62 lone 4 98 - 4 - HB2 LEU 26 - HG3 GLN 62 lone 4 96 - 4 - HG2 GLU 122 - HG2 GLN 62 lone 4 89 - 4 - HG2 GLU 122 - HG3 GLN 62 lone 3 85 - 4 - HA ARG 35 - HG2 GLN 62 lone 1 81 - 2 - HA ARG 35 - HG3 GLN 62 lone 1 77 - 2 - Peak 1776 from cnoeabs.peaks (2.29, 2.29, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 97 97 - 100 Peak 1777 from cnoeabs.peaks (2.29, 2.29, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 98 98 - 100 Reference assignment not found: HG3 GLN 62 - HG2 GLN 62 Peak 1778 from cnoeabs.peaks (6.86, 2.29, 33.54 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.5=100 HE21 GLN 62 + HG3 GLN 62 OK 98 98 - 100 - 3.5=100 Peak 1779 from cnoeabs.peaks (7.47, 2.29, 33.54 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HE22 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 98 98 - 100 - 3.5=100 HE21 GLN 47 - HG2 GLN 62 OK 20 77 - 26 - 11651/3.5=20, ~11516=5, ~8181=3 HE21 GLN 47 - HG3 GLN 62 OK 19 73 - 26 - 11651/3.5=20, ~11516=5, ~8181=3 H LEU 126 - HG2 GLN 62 lone 4 72 - 5 - 4.7/9494=1, 10340/1.8=1 H LEU 126 - HG3 GLN 62 lone 3 68 - 5 - 4.7/9494=1 HD1 TRP 88 - HG2 GLN 62 lone 1 89 - 2 - HD1 TRP 88 - HG3 GLN 62 lone 1 85 - 1 - Peak 1780 from cnoeabs.peaks (7.73, 2.29, 33.54 ppm; 4.28 A): 2 out of 8 assignments used, quality = 0.99: * H GLN 62 + HG3 GLN 62 OK 89 100 - 89 - 4.9=66, 1756/2.9=19...(14) H GLN 62 + HG2 GLN 62 OK 87 98 - 89 - 4.9=66, 1756/2.9=19...(14) H LEU 132 - HG3 GLN 62 OK 37 100 - 37 - 1756/2.9=8, 1764/2.9=7...(10) H LEU 132 - HG2 GLN 62 OK 34 98 - 35 - 1756/2.9=8, 1764/2.9=7...(10) HD21 ASN 128 - HG3 GLN 62 OK 25 85 - 30 - 9514=5, 9514/1.8=4...(11) HD21 ASN 128 - HG2 GLN 62 OK 23 81 - 29 - 9514=5, 9514/1.8=4...(11) H SER 100 - HG3 GLN 62 OK 12 100 - 12 - 1756/2.9=4, 1748/3.9=3 H SER 100 - HG2 GLN 62 OK 12 98 - 12 - 1756/2.9=4, 1748/3.9=3 Peak 1781 from cnoeabs.peaks (4.66, 2.29, 33.54 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 62 + HG3 GLN 62 OK 99 100 - 99 - 3.9=99 HA GLN 62 + HG2 GLN 62 OK 97 98 - 99 - 3.9=99 HA ASN 139 - HG3 GLN 62 OK 20 81 - 24 - 3.0/11643=6, ~11643=6...(6) HA ASN 139 - HG2 GLN 62 OK 19 77 - 24 - 3.0/11643=6, ~11643=5...(6) HA MET 11 - HG3 GLN 62 OK 13 100 - 13 - 1757/2.9=5, 1765/2.9=4 HA MET 11 - HG2 GLN 62 OK 12 97 - 13 - 1757/2.9=5, 1765/2.9=4 Peak 1782 from cnoeabs.peaks (1.93, 2.29, 33.54 ppm; 3.22 A): 2 out of 28 assignments used, quality = 1.00: * HB2 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 2.9=100 HB2 GLN 62 + HG2 GLN 62 OK 98 98 - 100 - 2.9=100 HB3 LEU 132 - HG3 GLN 62 OK 26 100 - 26 - 4486/4.9=3, 1766/2.9=2...(11) HB3 LEU 132 - HG2 GLN 62 OK 25 98 - 25 - 4486/4.9=3, 1766/2.9=2...(11) HB3 PRO 52 - HG3 GLN 62 OK 24 81 - 30 - 1.8/1783=3, 1766/2.9=3...(12) HB3 PRO 52 - HG2 GLN 62 OK 23 77 - 30 - 1.8/1775=3, 1766/2.9=3...(12) HG2 PRO 52 - HG3 GLN 62 OK 21 77 - 27 - 2.3/1783=3, 1766/2.9=3...(12) HG2 PRO 52 - HG2 GLN 62 OK 20 73 - 27 - 2.3/1775=3, 1766/2.9=3...(12) HB2 MET 59 - HG3 GLN 62 OK 12 94 - 13 - 4.8/9852=4, 3.0/10931=2 HB2 MET 59 - HG2 GLN 62 OK 12 90 - 13 - 4.8/9852=3, 3.0/10931=2 HG2 PRO 12 - HG3 GLN 62 OK 10 100 - 10 - 8019/3.9=2, 1766/2.9=2 HG2 PRO 12 - HG2 GLN 62 OK 10 98 - 10 - 8019/3.9=2, 1766/2.9=2 HG3 PRO 12 - HG3 GLN 62 lone 10 100 - 10 - 8019/3.9=2, 1766/2.9=2 HG3 PRO 12 - HG2 GLN 62 lone 10 97 - 10 - 8019/3.9=2, 1766/2.9=2 HB2 ARG 140 - HG3 GLN 62 lone 9 100 - 9 - 1766/2.9=1 HB2 ARG 140 - HG2 GLN 62 lone 9 98 - 9 - 1766/2.9=1 HB2 ARG 89 - HG3 GLN 62 lone 9 94 - 9 - 1766/2.9=1, 2861/2.9=1 HB2 ARG 89 - HG2 GLN 62 lone 9 90 - 9 - 1766/2.9=1, 2861/2.9=1 HB2 PRO 118 - HG3 GLN 62 lone 5 98 - 5 - 6603/3.5=1 HB2 PRO 118 - HG2 GLN 62 lone 5 95 - 5 - 6603/3.5=1 HB ILE 136 - HG3 GLN 62 lone 3 68 - 4 - HB ILE 136 - HG2 GLN 62 lone 3 63 - 4 - HG13 ILE 83 - HG3 GLN 62 lone 2 77 - 3 - HB3 GLU 122 - HG3 GLN 62 lone 2 62 - 4 - HB3 GLU 122 - HG2 GLN 62 lone 2 59 - 4 - HG13 ILE 83 - HG2 GLN 62 lone 2 73 - 3 - HB2 LYS 86 - HG3 GLN 62 lone 2 85 - 3 - HB2 LYS 86 - HG2 GLN 62 lone 2 81 - 2 - Peak 1783 from cnoeabs.peaks (2.07, 2.29, 33.54 ppm; 3.19 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 2.9=100 HB3 GLN 62 + HG2 GLN 62 OK 98 98 - 100 - 2.9=100 HB2 PRO 129 - HG3 GLN 62 OK 43 92 - 47 - 1759/2.9=5, 4379=4...(30) HB2 PRO 129 - HG2 GLN 62 OK 41 88 - 47 - 1759/2.9=5, 4379=4...(30) HB2 PRO 52 - HG3 GLN 62 OK 21 68 - 31 - 1783=4, 1759/2.9=4...(12) HB2 PRO 52 - HG2 GLN 62 OK 20 63 - 31 - 1775=4, 1759/2.9=4...(12) HB3 LYS 61 - HG3 GLN 62 OK 17 98 - 17 - 4.6/6589=5, 1759/2.9=2...(5) HB3 LYS 61 - HG2 GLN 62 OK 16 95 - 17 - 4.6/6589=5, 1759/2.9=2...(5) HG3 PRO 98 - HG3 GLN 62 OK 12 81 - 15 - 1783=2, 1759/2.9=2...(5) HG3 PRO 98 - HG2 GLN 62 OK 11 77 - 15 - 1775=2, 1759/2.9=2...(4) HD2 ARG 49 - HG3 GLN 62 lone 4 100 - 4 - HB2 LEU 26 - HG3 GLN 62 lone 4 99 - 4 - HD2 ARG 49 - HG2 GLN 62 lone 4 98 - 4 - HB2 LEU 26 - HG2 GLN 62 lone 4 96 - 4 - HG2 GLU 122 - HG3 GLN 62 lone 4 89 - 4 - HG2 GLU 122 - HG2 GLN 62 lone 3 85 - 4 - HA ARG 35 - HG3 GLN 62 lone 1 81 - 2 - HA ARG 35 - HG2 GLN 62 lone 1 77 - 2 - Peak 1784 from cnoeabs.peaks (2.29, 2.29, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 62 + HG2 GLN 62 OK 98 98 - 100 Reference assignment not found: HG2 GLN 62 - HG3 GLN 62 Peak 1785 from cnoeabs.peaks (2.29, 2.29, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 62 + HG2 GLN 62 OK 97 97 - 100 Peak 1786 from cnoeabs.peaks (6.86, 2.29, 33.54 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.5=100 HE21 GLN 62 + HG2 GLN 62 OK 98 98 - 100 - 3.5=100 Peak 1787 from cnoeabs.peaks (7.47, 2.29, 33.54 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HE22 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 98 98 - 100 - 3.5=100 HE21 GLN 47 - HG3 GLN 62 OK 20 77 - 26 - 11651/3.5=20, ~11516=5, ~8181=3 HE21 GLN 47 - HG2 GLN 62 OK 19 73 - 26 - 11651/3.5=20, ~11516=5, ~8181=3 H LEU 126 - HG3 GLN 62 lone 4 72 - 5 - 4.7/9494=2 H LEU 126 - HG2 GLN 62 lone 4 68 - 6 - 4.7/9494=1, 10340/1.8=1 HD1 TRP 88 - HG2 GLN 62 lone 1 85 - 2 - HD1 TRP 88 - HG3 GLN 62 lone 1 89 - 1 - Peak 1788 from cnoeabs.peaks (4.03, 4.03, 62.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 Peak 1789 from cnoeabs.peaks (1.99, 4.03, 62.73 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 - 100 - 3.0=100 QE MET 59 - HA VAL 63 OK 40 100 - 41 - 10401=13, 6.2/11450=7...(13) HB2 GLN 111 - HA VAL 63 OK 19 94 - 20 - 1804/3.2=3, 1799/3.2=3...(8) QE MET 113 - HA VAL 63 OK 18 100 - 19 - 1799/3.2=4, 1804/3.2=3...(4) HG3 PRO 52 - HA VAL 63 OK 17 81 - 21 - ~8232=3, ~8233=2...(11) HB3 GLU 75 - HA VAL 63 OK 16 68 - 24 - ~9867=4, 9850/8284=3...(9) HG3 GLU 122 - HA VAL 63 poor 9 68 - 13 - 1.8/4081=2, 3.0/4074=1...(6) QE MET 11 - HA VAL 63 lone 7 77 - 9 - ~8361=1, 1804/3.2=1, 1799/3.2=1 HB2 GLU 142 - HA VAL 63 lone 7 96 - 7 - HB3 GLU 90 - HA VAL 63 lone 3 62 - 5 - Peak 1790 from cnoeabs.peaks (0.91, 4.03, 62.73 ppm; 3.07 A): 2 out of 5 assignments used, quality = 0.95: * QG1 VAL 63 + HA VAL 63 OK 93 100 - 93 - 3.2=88, 2.1/1803=17...(10) HB2 LEU 64 + HA VAL 63 OK 32 77 - 41 - 6611/3.6=6, 1795/3.0=5...(17) QG1 VAL 53 - HA VAL 63 OK 28 100 - 28 - 1795/3.0=4, 1805/3.2=4...(13) QD2 LEU 29 - HA VAL 63 OK 17 92 - 19 - 1805/3.2=4, 1795/3.0=3...(7) QG2 VAL 80 - HA VAL 63 poor 8 72 - 11 - 3.2/10170=3, 8272/8281=2 Peak 1791 from cnoeabs.peaks (0.93, 4.03, 62.73 ppm; 3.07 A): 2 out of 5 assignments used, quality = 0.96: * QG2 VAL 63 + HA VAL 63 OK 93 100 - 93 - 3.2=88, 2.1/1798=17...(10) HB2 LEU 64 + HA VAL 63 OK 40 92 - 43 - 1796/3.0=5, 6612/3.6=5...(17) QG2 ILE 91 - HA VAL 63 OK 38 100 - 38 - 1791=8, 1801/3.2=5...(19) HB2 LEU 108 - HA VAL 63 OK 27 100 - 27 - 1796/3.0=3, 1801/3.2=3...(11) QD2 LEU 29 - HA VAL 63 OK 14 77 - 18 - 1805/3.2=3, 1801/3.2=2...(8) Peak 1792 from cnoeabs.peaks (8.29, 4.03, 62.73 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + HA VAL 63 OK 100 100 - 100 - 3.6=100 H VAL 71 - HA VAL 63 OK 21 94 - 23 - 1802/3.2=6, 1807/3.2=5...(6) H THR 18 - HA VAL 63 poor 10 77 - 13 - 1797/3.0=3, 3.9/8364=3...(4) H ASN 128 - HA VAL 63 lone 5 62 - 7 - 4.6/11450=3, 1802/3.2=1 Peak 1793 from cnoeabs.peaks (4.03, 1.99, 31.91 ppm; 3.23 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 - 100 - 3.0=100 HB THR 107 - HB VAL 63 OK 25 89 - 28 - 9249=5, 1803/2.1=5...(10) HA LYS 123 - HB VAL 63 OK 16 94 - 17 - 1798/2.1=2, 1803/2.1=2...(4) HA GLU 81 - HB VAL 63 OK 13 99 - 13 - 1798/2.1=3, 1803/2.1=3, 1793=2 HA GLU 37 - HB VAL 63 OK 11 98 - 11 - 1798/2.1=3, 1803/2.1=3, 1793=2 HB3 SER 100 - HB VAL 63 OK 11 68 - 16 - ~9165=3, 1793=3...(5) HB2 SER 103 - HB VAL 63 poor 8 68 - 13 - ~8364=3, 1793=2...(4) Peak 1794 from cnoeabs.peaks (1.99, 1.99, 31.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 63 + HB VAL 63 OK 100 100 - 100 Peak 1795 from cnoeabs.peaks (0.91, 1.99, 31.91 ppm; 2.54 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 63 + HB VAL 63 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - HB VAL 63 OK 30 77 - 39 - 3.8/1797=6, 1805/2.1=5...(16) QG1 VAL 53 - HB VAL 63 OK 29 100 - 29 - 1795=5, 1805/2.1=5...(13) QD2 LEU 29 - HB VAL 63 OK 17 92 - 19 - 1805/2.1=4, 1795=2...(8) QG2 VAL 80 - HB VAL 63 lone 5 72 - 6 - 8272/8349=2 Peak 1796 from cnoeabs.peaks (0.93, 1.99, 31.91 ppm; 2.54 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - HB VAL 63 OK 40 92 - 44 - 3.8/1797=6, 1795=6...(17) QG2 ILE 91 - HB VAL 63 OK 34 100 - 34 - 1796=7, 1801/2.1=6...(17) HB2 LEU 108 - HB VAL 63 OK 26 100 - 26 - 1795=5, 1801/2.1=3...(11) QD2 LEU 29 - HB VAL 63 OK 15 77 - 19 - 1795=3, 1805/2.1=3...(8) Peak 1797 from cnoeabs.peaks (8.29, 1.99, 31.91 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 64 + HB VAL 63 OK 90 100 - 90 - 4.4=71, 1807/2.1=25...(12) H VAL 71 + HB VAL 63 OK 27 94 - 28 - 1802/2.1=8, 1807/2.1=8...(6) H THR 18 + HB VAL 63 OK 16 77 - 21 - 4.0/10864=8, 1802/2.1=4...(5) H ASN 128 - HB VAL 63 lone 4 62 - 6 - 1802/2.1=2, 1807/2.1=1 Peak 1798 from cnoeabs.peaks (4.03, 0.91, 21.64 ppm; 3.03 A): 2 out of 7 assignments used, quality = 0.94: * HA VAL 63 + QG1 VAL 63 OK 92 100 - 92 - 3.2=85, 1803/2.1=17...(12) HB THR 107 + QG1 VAL 63 OK 23 89 - 26 - 1803/2.1=4, 1798=4...(9) HA GLU 37 - QG1 VAL 63 OK 14 98 - 14 - 1798=3, 1803/2.1=2...(5) HA GLU 81 - QG1 VAL 63 OK 13 99 - 13 - 1798=3, 1803/2.1=2...(4) HA LYS 123 - QG1 VAL 63 OK 12 94 - 13 - 1793/2.1=2, 1803/2.1=2, 1798=2 HB3 SER 100 - QG1 VAL 63 OK 10 68 - 15 - 1.8/9165=3, 1798=3...(4) HB2 SER 103 - QG1 VAL 63 poor 9 68 - 13 - 1798=3, ~8364=2...(5) Peak 1799 from cnoeabs.peaks (1.99, 0.91, 21.64 ppm; 2.78 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 2.1=100 QE MET 59 - QG1 VAL 63 OK 29 100 - 29 - 1799=6, 10401/3.2=4...(8) QE MET 113 - QG1 VAL 63 OK 22 100 - 22 - 1799=5, 10662/9869=2...(8) HB2 GLN 111 - QG1 VAL 63 OK 17 94 - 18 - 1804/2.1=3, 3.0/9872=2...(6) HB3 GLU 75 - QG1 VAL 63 OK 14 68 - 21 - 1.8/9872=3, 3.0/9873=3...(6) HG3 PRO 52 - QG1 VAL 63 OK 14 81 - 17 - 1799=2, 1804/2.1=2...(6) QE MET 11 - QG1 VAL 63 lone 7 77 - 9 - 3.3/8361=2, 1804/2.1=1 HG3 GLU 122 - QG1 VAL 63 lone 5 68 - 8 - 1799=2, 1804/2.1=1 HB2 GLU 142 - QG1 VAL 63 lone 5 96 - 5 - HB3 GLU 90 - QG1 VAL 63 lone 3 62 - 5 - Peak 1800 from cnoeabs.peaks (0.91, 0.91, 21.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 63 + QG1 VAL 63 OK 100 100 - 100 Peak 1801 from cnoeabs.peaks (0.93, 0.91, 21.64 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 2.1=100 QG2 ILE 91 - QG1 VAL 63 OK 40 100 - 40 - 1801=10, 1796/2.1=5...(18) HB2 LEU 64 - QG1 VAL 63 OK 40 92 - 43 - 3.1/9869=9, 3.8/1802=6...(15) HB2 LEU 108 - QG1 VAL 63 OK 27 100 - 27 - 1796/2.1=3, 1805/2.1=3...(10) QD2 LEU 29 - QG1 VAL 63 OK 20 77 - 26 - 2.1/384=3, 1805/2.1=3...(7) Peak 1802 from cnoeabs.peaks (8.29, 0.91, 21.64 ppm; 3.65 A): 3 out of 4 assignments used, quality = 0.93: * H LEU 64 + QG1 VAL 63 OK 88 100 - 88 - 4.4=58, 1807/2.1=22...(18) H VAL 71 + QG1 VAL 63 OK 30 94 - 32 - 1807/2.1=7, 1797/2.1=6...(11) H THR 18 + QG1 VAL 63 OK 14 77 - 19 - 4.0/9871=5, 1797/2.1=4...(5) H ASN 128 - QG1 VAL 63 poor 7 62 - 11 - 4.7/9520=2, 4.6/10365=2 Peak 1803 from cnoeabs.peaks (4.03, 0.93, 20.65 ppm; 3.06 A): 1 out of 7 assignments used, quality = 0.93: * HA VAL 63 + QG2 VAL 63 OK 93 100 - 93 - 3.2=87, 1798/2.1=17...(12) HB THR 107 - QG2 VAL 63 OK 24 89 - 27 - 1798/2.1=4, 1803=4...(10) HA GLU 37 - QG2 VAL 63 OK 14 98 - 14 - 1803=3, 1798/2.1=3...(4) HA GLU 81 - QG2 VAL 63 OK 13 99 - 13 - 1798/2.1=2, 1803=2...(4) HA LYS 123 - QG2 VAL 63 OK 12 94 - 12 - 1793/2.1=3, 1798/2.1=2, 1803=2 HB3 SER 100 - QG2 VAL 63 poor 10 68 - 14 - ~9165=3, 1803=3...(4) HB2 SER 103 - QG2 VAL 63 poor 7 68 - 11 - ~8364=2, 1803=2...(4) Peak 1804 from cnoeabs.peaks (1.99, 0.93, 20.65 ppm; 2.69 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 2.1=100 QE MET 59 - QG2 VAL 63 OK 27 100 - 27 - 1804=5, 10401/3.2=4...(6) HB2 GLN 111 - QG2 VAL 63 OK 17 94 - 19 - 3.0/9867=3, 1799/2.1=2...(6) QE MET 113 - QG2 VAL 63 OK 15 100 - 15 - 1804=3, 1799/2.1=3...(4) HB3 GLU 75 - QG2 VAL 63 OK 14 68 - 21 - 1.8/9867=6, 3.0/9830=3...(6) HG3 PRO 52 - QG2 VAL 63 OK 14 81 - 17 - 2.3/8232=3, 1804=2...(4) QE MET 11 - QG2 VAL 63 poor 8 77 - 10 - 5.1/8366=2 HG3 GLU 122 - QG2 VAL 63 lone 5 68 - 8 - 1804=2 HB2 GLU 142 - QG2 VAL 63 lone 5 96 - 5 - HB3 GLU 90 - QG2 VAL 63 lone 4 62 - 7 - 4.7/7056=1, 3.9/10074=1 Peak 1805 from cnoeabs.peaks (0.91, 0.93, 20.65 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - QG2 VAL 63 OK 34 77 - 45 - 3.0/8353=8, 3.8/1807=6...(15) QG1 VAL 53 - QG2 VAL 63 OK 33 100 - 33 - 2.1/9867=7, 1805=6...(12) QD2 LEU 29 - QG2 VAL 63 OK 27 92 - 29 - 1805=3, 1795/2.1=3...(12) QG2 VAL 80 - QG2 VAL 63 lone 4 72 - 6 - Peak 1806 from cnoeabs.peaks (0.93, 0.93, 20.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 63 + QG2 VAL 63 OK 100 100 - 100 Peak 1807 from cnoeabs.peaks (8.29, 0.93, 20.65 ppm; 3.75 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 64 + QG2 VAL 63 OK 92 100 - 92 - 4.3=67, 1802/2.1=23...(17) H VAL 71 + QG2 VAL 63 OK 29 94 - 31 - 1802/2.1=8, 1797/2.1=6...(7) H THR 18 + QG2 VAL 63 OK 14 77 - 18 - 1797/2.1=4, 1802/2.1=4...(5) H ASN 128 - QG2 VAL 63 lone 5 62 - 8 - 1802/2.1=2, 4.6/10365=1 Peak 1808 from cnoeabs.peaks (8.29, 4.17, 53.78 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 H VAL 71 + HA LEU 64 OK 49 94 - 52 - 3.9/8507=8, 9845/4.0=8...(12) H THR 18 - HA LEU 64 OK 29 77 - 38 - ~11273=12, 4.0/1812=10...(7) H ASN 128 - HA LEU 64 lone 6 62 - 9 - 9845/4.0=2, 1816/3.0=2 Peak 1809 from cnoeabs.peaks (4.17, 4.17, 53.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 Peak 1810 from cnoeabs.peaks (0.92, 4.17, 53.78 ppm; 3.54 A): 6 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 QG2 VAL 63 + HA LEU 64 OK 64 92 - 70 - 1807/3.0=15, 8353/3.7=13...(23) QG2 ILE 91 + HA LEU 64 OK 49 92 - 53 - 8976=9, 2.1/2953=8...(20) QG1 VAL 63 + HA LEU 64 OK 49 77 - 63 - 1802/3.0=11, 9869/4.0=10...(23) HB2 LEU 108 + HA LEU 64 OK 46 85 - 54 - 3.2/9266=11, 3.2/9878=7...(25) QD2 LEU 29 + HA LEU 64 OK 46 99 - 46 - 8074/3.7=11, 6623/3.6=6...(14) QG1 VAL 53 - HA LEU 64 lone 5 72 - 6 - 6611/3.0=2 Peak 1811 from cnoeabs.peaks (1.62, 4.17, 53.78 ppm; 4.24 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 87 + HA LEU 64 OK 65 100 - 65 - 1828/3.7=8, 1819/3.0=6...(31) HG LEU 108 + HA LEU 64 OK 60 89 - 68 - 2.1/9266=19, 2.1/9878=13...(23) HG3 LYS 34 - HA LEU 64 OK 25 77 - 33 - 1843/4.0=5, 1851/3.9=4...(14) HB2 LEU 97 - HA LEU 64 OK 25 81 - 30 - 10128/3.7=5, 3200/3.9=4...(14) HG3 ARG 49 - HA LEU 64 OK 21 100 - 21 - 1819/3.0=2, 1835/3.7=2...(11) HG3 ARG 144 - HA LEU 64 OK 13 100 - 13 - 6624/3.6=3, 1819/3.0=1...(6) HD2 LYS 24 - HA LEU 64 OK 13 77 - 17 - 11360/3.0=6, 1843/4.0=2...(5) HG2 ARG 144 - HA LEU 64 poor 7 68 - 11 - 6624/3.6=2 HG2 ARG 141 - HA LEU 64 lone 4 85 - 4 - HG3 LYS 48 - HA LEU 64 lone 4 62 - 6 - Peak 1812 from cnoeabs.peaks (1.14, 4.17, 53.78 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.7=100 QG2 THR 18 + HA LEU 64 OK 46 100 - 46 - 1820/3.0=8, 11271/3.0=8...(9) Peak 1813 from cnoeabs.peaks (0.63, 4.17, 53.78 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 4.0=100 QD1 LEU 126 + HA LEU 64 OK 54 96 - 56 - 1821/3.0=11, 1837/3.7=10...(14) QD2 LEU 79 - HA LEU 64 OK 27 77 - 35 - 2.1/9838=6, 1821/3.0=5...(11) Peak 1814 from cnoeabs.peaks (0.86, 4.17, 53.78 ppm; 3.08 A): 4 out of 5 assignments used, quality = 0.94: * QD1 LEU 64 + HA LEU 64 OK 83 100 - 83 - 3.9=48, 1855/3.6=16...(17) QG2 ILE 83 + HA LEU 64 OK 34 99 - 35 - 1822/3.0=8, 1838/3.7=6...(10) QG2 ILE 56 + HA LEU 64 OK 33 96 - 35 - 11010/3.0=7, 3.1/1813=4...(12) HB3 LEU 42 + HA LEU 64 OK 17 89 - 19 - 1822/3.0=4, 1838/3.7=3...(8) QD2 LEU 97 - HA LEU 64 poor 9 72 - 12 - 1822/3.0=2, 1838/3.7=1...(5) Peak 1815 from cnoeabs.peaks (9.19, 4.17, 53.78 ppm; 3.23 A): 2 out of 2 assignments used, quality = 0.86: * H ASP 65 + HA LEU 64 OK 84 100 - 84 - 3.6=74, 1855/3.9=15...(5) H TYR 112 + HA LEU 64 OK 13 100 - 13 - 1847/4.0=6, 1855/3.9=4 Peak 1816 from cnoeabs.peaks (8.29, 0.92, 42.22 ppm; 5.07 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.8=100 H VAL 71 + HB2 LEU 64 OK 45 94 - 48 - 9845/3.1=10, 1808/3.0=10...(8) H THR 18 - HB2 LEU 64 OK 30 77 - 39 - 4.0/1820=11, 1808/3.0=6...(7) H ASN 128 - HB2 LEU 64 poor 10 62 - 16 - 4.6/10365=5, 9845/3.1=2...(6) Peak 1817 from cnoeabs.peaks (4.17, 0.92, 42.22 ppm; 5.01 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 HA TRP 88 + HB2 LEU 64 OK 79 100 - 79 - 10068/3.0=18, 10239=15...(27) HA PHE 38 - HB2 LEU 64 OK 39 100 - 39 - ~4739=6, 1841/3.1=4...(16) HG1 THR 74 - HB2 LEU 64 OK 38 100 - 38 - ~8605=5, 1833/3.0=5...(12) HA GLU 120 - HB2 LEU 64 OK 11 92 - 12 - 1841/3.1=1, 1833/3.0=1...(4) HB3 SER 44 - HB2 LEU 64 OK 10 81 - 12 - 1833/3.0=1, 1841/3.1=1...(4) HB2 SER 44 - HB2 LEU 64 poor 10 81 - 12 - 1833/3.0=1, 1841/3.1=1...(4) HA CYS 121 - HB2 LEU 64 poor 8 62 - 13 - 4.9/11533=1, ~4048=1...(4) Peak 1818 from cnoeabs.peaks (0.92, 0.92, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 Peak 1819 from cnoeabs.peaks (1.62, 0.92, 42.22 ppm; 4.19 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 1.8=100 HB2 LEU 87 + HB2 LEU 64 OK 74 100 - 74 - 1828/3.0=10, 1843/3.1=7...(32) HG LEU 108 + HB2 LEU 64 OK 65 89 - 73 - ~9266=10, 2.1/3503=8...(30) HB2 LEU 97 - HB2 LEU 64 OK 41 81 - 50 - ~10105=6, 10128/3.0=5...(24) HG3 LYS 34 - HB2 LEU 64 OK 39 77 - 51 - ~10626=6, ~520=6...(21) HG3 ARG 49 - HB2 LEU 64 OK 29 100 - 29 - 1843/3.1=2, ~9881=2...(15) HG3 ARG 144 - HB2 LEU 64 OK 16 100 - 16 - 6624/4.4=3, 1843/3.1=1...(6) HD2 LYS 24 - HB2 LEU 64 OK 15 77 - 19 - 11360/3.8=5, 1843/3.1=2...(8) HG2 ARG 144 - HB2 LEU 64 OK 11 68 - 16 - 6624/4.4=2, ~11014=1 HG3 LYS 48 - HB2 LEU 64 lone 5 62 - 7 - HG2 ARG 141 - HB2 LEU 64 lone 4 85 - 5 - Peak 1820 from cnoeabs.peaks (1.14, 0.92, 42.22 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 QG2 THR 18 + HB2 LEU 64 OK 54 100 - 54 - 1812/3.0=12, 1828/1.8=10...(10) Peak 1821 from cnoeabs.peaks (0.63, 0.92, 42.22 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 LEU 126 + HB2 LEU 64 OK 65 96 - 67 - 1837/3.0=11, 1853/3.2=10...(21) QD2 LEU 79 - HB2 LEU 64 OK 30 77 - 39 - 1837/3.0=4, 1813/3.0=4...(15) Peak 1822 from cnoeabs.peaks (0.86, 0.92, 42.22 ppm; 4.04 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.2=100 QG2 ILE 83 + HB2 LEU 64 OK 78 99 - 79 - 2.1/10988=13, ~8376=12...(27) QG2 ILE 56 + HB2 LEU 64 OK 75 96 - 78 - 11010/1.8=16...(26) HB3 LEU 42 + HB2 LEU 64 OK 46 89 - 51 - 1838/3.0=7, 1846/3.1=6...(20) QD2 LEU 97 - HB2 LEU 64 OK 32 72 - 45 - ~9130=5, ~9130=4...(22) Peak 1824 from cnoeabs.peaks (8.29, 1.62, 42.22 ppm; 5.08 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.8=100 H VAL 71 - HB3 LEU 64 OK 45 94 - 47 - 9845/3.1=10, 1816/1.8=10...(8) H LEU 64 - HB2 LEU 87 OK 43 98 - 44 - 3.0/1811=9, 5.2/1828=8...(9) H VAL 71 - HB2 LEU 87 OK 37 91 - 41 - ~8901=10, ~8889=8...(8) H THR 18 - HB3 LEU 64 OK 29 77 - 37 - 4.0/1828=8, 1816/1.8=7...(7) H ASN 128 - HB3 LEU 64 lone 6 62 - 10 - 9845/3.1=2, 1816/1.8=2...(5) H THR 18 - HB2 LEU 87 lone 4 73 - 5 - H ASN 128 - HB2 LEU 87 lone 2 59 - 4 - Peak 1825 from cnoeabs.peaks (4.17, 1.62, 42.22 ppm; 5.09 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 HA TRP 88 + HB2 LEU 87 OK 80 98 - 81 - ~7009=19, ~7011=19...(16) HA LEU 64 + HB2 LEU 87 OK 78 98 - 80 - 1811=11, 3.7/1828=11...(31) HA TRP 88 + HB3 LEU 64 OK 75 100 - 75 - 10068/3.0=18...(18) HG1 THR 74 - HB3 LEU 64 OK 39 100 - 39 - 1817/1.8=5, ~8605=5...(12) HA PHE 38 - HB3 LEU 64 OK 36 100 - 36 - ~4739=6, 1817/1.8=5...(14) HA GLU 120 - HB2 LEU 87 OK 15 88 - 17 - 8903/3.2=6, 3.8/10768=2...(5) HA PHE 38 - HB2 LEU 87 OK 13 98 - 13 - 7015/4.6=4, 8903/3.2=2 HA GLU 120 - HB3 LEU 64 OK 11 92 - 12 - 1817/1.8=2, 1841/3.1=2...(5) HB3 SER 44 - HB2 LEU 87 OK 11 78 - 14 - 8903/3.2=3, ~8903=3...(4) HB2 SER 44 - HB2 LEU 87 OK 11 78 - 14 - 8903/3.2=3, ~8903=3...(4) HB3 SER 44 - HB3 LEU 64 OK 10 81 - 13 - 1817/1.8=1, 1833/3.0=1...(6) HB2 SER 44 - HB3 LEU 64 OK 10 81 - 12 - 1817/1.8=1, 1833/3.0=1...(6) HA CYS 121 - HB2 LEU 87 poor 9 59 - 15 - ~8907=10, 8903/3.2=3 HA CYS 121 - HB3 LEU 64 poor 8 62 - 13 - ~4048=1, 1817/1.8=1...(4) HG1 THR 74 - HB2 LEU 87 lone 8 98 - 8 - 7015/4.6=2, 8826/8881=1 Peak 1826 from cnoeabs.peaks (0.92, 1.62, 42.22 ppm; 3.49 A): 7 out of 14 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 1.8=100 QG2 VAL 63 + HB3 LEU 64 OK 69 92 - 75 - 8353/3.0=15, 1807/3.8=11...(30) QD2 LEU 29 + HB3 LEU 64 OK 64 99 - 65 - 8074/3.0=13, 1850/3.2=7...(20) QG2 ILE 91 + HB3 LEU 64 OK 61 92 - 66 - ~8968=8, 8976/3.0=6...(30) HB2 LEU 64 + HB2 LEU 87 OK 59 98 - 60 - 3.0/1828=7, 1819=5...(30) HB2 LEU 108 + HB3 LEU 64 OK 56 85 - 66 - 1810/3.0=5, ~3487=5...(36) QG1 VAL 63 + HB3 LEU 64 OK 54 77 - 69 - 9869/3.1=12, ~8353=9...(28) QG2 ILE 91 - HB2 LEU 87 OK 27 88 - 31 - ~10062=5, 2962/4.6=5...(9) HB2 LEU 108 - HB2 LEU 87 OK 13 82 - 16 - 10010/8880=2, 3.2/3505=2...(6) QD2 LEU 29 - HB2 LEU 87 lone 9 96 - 10 - 10841/3.0=2, 8074/1828=1 QG2 VAL 63 - HB2 LEU 87 lone 8 88 - 10 - 4.3/1824=2, 8353/1828=2 QG1 VAL 63 - HB2 LEU 87 lone 5 73 - 7 - 4.4/1824=2 QG1 VAL 53 - HB3 LEU 64 lone 4 72 - 6 - 6611/3.8=1 QG1 VAL 53 - HB2 LEU 87 lone 2 69 - 2 - Peak 1827 from cnoeabs.peaks (1.62, 1.62, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 HB2 LEU 87 + HB2 LEU 87 OK 98 98 - 100 Peak 1828 from cnoeabs.peaks (1.14, 1.62, 42.22 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 HG LEU 64 + HB2 LEU 87 OK 62 98 - 63 - 1835=9, 2.1/1851=7...(29) QG2 THR 18 - HB3 LEU 64 OK 44 100 - 44 - 1820/1.8=10, 1812/3.0=9...(9) QG2 THR 18 - HB2 LEU 87 lone 5 98 - 5 - Peak 1829 from cnoeabs.peaks (0.63, 1.62, 42.22 ppm; 3.97 A): 4 out of 6 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB2 LEU 87 OK 62 98 - 63 - 2.1/1828=10, 1843=8...(28) QD1 LEU 126 + HB3 LEU 64 OK 62 96 - 64 - 1821/1.8=12, 1837/3.0=10...(18) QD2 LEU 79 + HB2 LEU 87 OK 49 73 - 66 - ~8890=9, ~2789=6...(33) QD1 LEU 126 - HB2 LEU 87 OK 28 93 - 30 - 10339/8880=5, ~11144=4...(15) QD2 LEU 79 - HB3 LEU 64 OK 27 77 - 35 - 1821/1.8=5, 1837/3.0=4...(12) Peak 1830 from cnoeabs.peaks (0.86, 1.62, 42.22 ppm; 3.61 A): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.2=100 QG2 ILE 83 + HB3 LEU 64 OK 72 99 - 73 - 1822/1.8=13, 1846/3.1=10...(27) QG2 ILE 56 + HB3 LEU 64 OK 69 96 - 72 - 11010=17, 1463/3.1=7...(27) QD1 LEU 64 + HB2 LEU 87 OK 54 98 - 55 - 2.1/1828=9, 1851=8...(29) QG2 ILE 83 - HB2 LEU 87 OK 42 96 - 43 - 2518/3.0=5, 10012/8881=4...(22) HB3 LEU 42 - HB3 LEU 64 OK 40 89 - 45 - 1822/1.8=7, 1838/3.0=6...(20) QD2 LEU 97 - HB3 LEU 64 OK 31 72 - 42 - ~9130=4, ~9130=3...(25) HB3 LEU 42 - HB2 LEU 87 OK 11 85 - 13 - ~10062=3, ~10950=2...(6) QD2 LEU 97 - HB2 LEU 87 OK 11 69 - 15 - 10137/4.6=2, 11006/3.0=2 QG2 ILE 56 - HB2 LEU 87 lone 9 93 - 9 - 11010=2, 10133/3.0=1 Peak 1833 from cnoeabs.peaks (4.17, 1.14, 27.00 ppm; 4.43 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.7=100 HA TRP 88 + HG LEU 64 OK 71 100 - 71 - 10068=21, 5.1/4781=13...(16) HG1 THR 74 - HG LEU 64 OK 30 100 - 30 - ~8605=5, 1849/2.1=4...(10) HA PHE 38 - HG LEU 64 OK 24 100 - 24 - ~4739=5, 1841/2.1=4...(7) HB3 SER 44 - HG LEU 64 poor 9 81 - 10 - 1841/2.1=1, 1849/2.1=1 HA GLU 120 - HG LEU 64 lone 8 92 - 9 - 1841/2.1=1, 1849/2.1=1 HB2 SER 44 - HG LEU 64 poor 8 81 - 10 - 1841/2.1=1, 1849/2.1=1 HA CYS 121 - HG LEU 64 lone 3 62 - 5 - 1841/2.1=1 Peak 1834 from cnoeabs.peaks (0.92, 1.14, 27.00 ppm; 3.54 A): 6 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 QG2 VAL 63 + HG LEU 64 OK 72 92 - 78 - 8353=28, ~9869=14...(30) QD2 LEU 29 + HG LEU 64 OK 72 99 - 73 - 8074=24, ~8373=9...(23) QG2 ILE 91 + HG LEU 64 OK 61 92 - 66 - 2.1/8968=13, 3.3/8979=13...(23) QG1 VAL 63 + HG LEU 64 OK 55 77 - 71 - 2.1/8353=22, 9869/2.1=16...(25) HB2 LEU 108 + HG LEU 64 OK 48 85 - 56 - 1842/2.1=6, ~11018=6...(29) QG1 VAL 53 - HG LEU 64 lone 7 72 - 9 - 2989/8979=1 Peak 1835 from cnoeabs.peaks (1.62, 1.14, 27.00 ppm; 3.82 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 87 + HG LEU 64 OK 63 100 - 63 - 1828=14, 1851/2.1=8...(29) HG LEU 108 + HG LEU 64 OK 46 89 - 52 - 1851/2.1=5, 1843/2.1=5...(24) HB2 LEU 97 - HG LEU 64 OK 38 81 - 47 - 1.8/10105=7, 3200/2.1=5...(16) HG3 LYS 34 - HG LEU 64 OK 34 77 - 44 - ~10626=7, 1843/2.1=6...(17) HG3 ARG 49 - HG LEU 64 OK 22 100 - 22 - 1843/2.1=2, 1851/2.1=2...(8) HG3 ARG 144 - HG LEU 64 OK 13 100 - 13 - 1843/2.1=1, 1851/2.1=1...(4) HD2 LYS 24 - HG LEU 64 OK 11 77 - 14 - 11360/5.2=3, 1843/2.1=2...(4) HG2 ARG 144 - HG LEU 64 poor 9 68 - 12 - ~11014=1 HG2 ARG 141 - HG LEU 64 lone 5 85 - 5 - HG3 LYS 48 - HG LEU 64 lone 4 62 - 7 - Peak 1836 from cnoeabs.peaks (1.14, 1.14, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 Peak 1837 from cnoeabs.peaks (0.63, 1.14, 27.00 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QD1 LEU 126 + HG LEU 64 OK 47 96 - 49 - 1853/2.1=9, 1837=7...(16) QD2 LEU 79 - HG LEU 64 OK 19 77 - 24 - 1853/2.1=3, 1821/3.0=3...(11) Peak 1838 from cnoeabs.peaks (0.86, 1.14, 27.00 ppm; 3.02 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 + HG LEU 64 OK 59 99 - 59 - 1846/2.1=10, ~8376=8...(21) QG2 ILE 56 + HG LEU 64 OK 54 96 - 56 - 1463/2.1=7, 11010/3.0=7...(24) HB3 LEU 42 - HG LEU 64 OK 32 89 - 36 - 1846/2.1=6, 3.0/9074=5...(15) QD2 LEU 97 - HG LEU 64 OK 21 72 - 28 - 2.1/9130=5, 3.1/10105=3...(12) Peak 1841 from cnoeabs.peaks (4.17, 0.63, 25.34 ppm; 3.95 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 4.0=96, 1849/2.1=30...(19) HA TRP 88 + QD2 LEU 64 OK 57 100 - 57 - 10068/2.1=15, 1841=11...(14) HG1 THR 74 - QD2 LEU 64 OK 23 100 - 23 - 2.8/8605=6, 1849/2.1=4...(8) HA PHE 38 - QD2 LEU 64 OK 22 100 - 22 - 1841=4, 1849/2.1=3...(7) HA GLU 120 - QD2 LEU 64 lone 8 92 - 9 - 4.9/1841=1, 1841=1 HB3 SER 44 - QD2 LEU 64 lone 7 81 - 8 - 1833/2.1=1, 1849/2.1=1 HB2 SER 44 - QD2 LEU 64 lone 7 81 - 8 - HA CYS 121 - QD2 LEU 64 lone 6 62 - 10 - 3.6/9847=2, 1841=1, 10313/7578=1 Peak 1842 from cnoeabs.peaks (0.92, 0.63, 25.34 ppm; 2.90 A): 4 out of 7 assignments used, quality = 0.99: * HB2 LEU 64 + QD2 LEU 64 OK 93 100 - 93 - 3.1=79, 1822/2.1=17...(21) QD2 LEU 29 + QD2 LEU 64 OK 58 99 - 59 - 8074/2.1=11, 1842=10...(20) QG2 VAL 63 + QD2 LEU 64 OK 54 92 - 59 - 8353/2.1=13, 2.1/9869=13...(20) QG2 ILE 91 + QD2 LEU 64 OK 46 92 - 51 - ~8968=6, 8971/2.1=6...(17) QG1 VAL 63 - QD2 LEU 64 OK 41 77 - 54 - 9869=10, ~8353=8...(20) HB2 LEU 108 - QD2 LEU 64 OK 37 85 - 43 - 1842=7, 1850/2.1=5...(16) QG1 VAL 53 - QD2 LEU 64 lone 6 72 - 9 - 8237/9884=2 Peak 1843 from cnoeabs.peaks (1.62, 0.63, 25.34 ppm; 3.05 A): 1 out of 11 assignments used, quality = 0.98: * HB3 LEU 64 + QD2 LEU 64 OK 98 100 - 98 - 3.1=91, 1851/2.1=16...(19) HB2 LEU 87 - QD2 LEU 64 OK 44 100 - 44 - 1843=8, 1828/2.1=6...(15) HG LEU 108 - QD2 LEU 64 OK 35 89 - 39 - 1851/2.1=4, 3.0/1842=4...(22) HG3 LYS 34 - QD2 LEU 64 OK 31 77 - 40 - 1843=7, 2.9/9879=5...(13) HB2 LEU 97 - QD2 LEU 64 OK 28 81 - 34 - 1851/2.1=4, ~10105=4...(14) HG3 ARG 49 - QD2 LEU 64 OK 16 100 - 16 - 3.0/10625=2, 1851/2.1=2...(6) HD2 LYS 24 - QD2 LEU 64 poor 10 77 - 13 - 1843=2, 11360/4.9=2...(5) HG3 ARG 144 - QD2 LEU 64 lone 9 100 - 9 - 3.0/11014=1, 1843=1, 1851/2.1=1 HG2 ARG 144 - QD2 LEU 64 lone 6 68 - 9 - 3.0/11014=1, 1.8/1843=1 HG3 LYS 48 - QD2 LEU 64 lone 4 62 - 6 - 2.9/11014=1 HG2 ARG 141 - QD2 LEU 64 lone 3 85 - 4 - 2.8/11014=1 Peak 1844 from cnoeabs.peaks (1.14, 0.63, 25.34 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 QG2 THR 18 - QD2 LEU 64 OK 26 100 - 26 - 1852/2.1=6, 1820/3.1=4...(8) Peak 1845 from cnoeabs.peaks (0.63, 0.63, 25.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 Peak 1846 from cnoeabs.peaks (0.86, 0.63, 25.34 ppm; 2.55 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 + QD2 LEU 64 OK 50 99 - 51 - 1846=13, 1838/2.1=6...(21) QG2 ILE 56 + QD2 LEU 64 OK 45 96 - 47 - 1463=7, 3.2/10916=6...(18) HB3 LEU 42 - QD2 LEU 64 OK 27 89 - 31 - 1846=7, 3.1/8156=6...(12) QD2 LEU 97 - QD2 LEU 64 OK 16 72 - 22 - ~9130=2, ~9130=2...(13) Peak 1847 from cnoeabs.peaks (9.19, 0.63, 25.34 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.95: * H ASP 65 + QD2 LEU 64 OK 87 100 - 87 - 1855/2.1=36, 6625/2.1=28...(13) H TYR 112 + QD2 LEU 64 OK 64 100 - 65 - 2.9/9303=10, 9299=10...(19) Peak 1848 from cnoeabs.peaks (8.29, 0.86, 22.38 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 64 + QD1 LEU 64 OK 99 100 - 99 - 4.5=93, 3.0/1849=28...(11) H VAL 71 - QD1 LEU 64 OK 34 94 - 36 - 9845/2.1=10, 9851/2.1=8...(7) H THR 18 - QD1 LEU 64 OK 23 77 - 30 - 4.0/1852=7, 9845/2.1=6...(7) H ASN 128 - QD1 LEU 64 lone 6 62 - 9 - 3.9/9524=2, 9845/2.1=2...(4) Peak 1849 from cnoeabs.peaks (4.17, 0.86, 22.38 ppm; 2.93 A): 3 out of 8 assignments used, quality = 0.87: * HA LEU 64 + QD1 LEU 64 OK 78 100 - 78 - 3.9=41, 3.6/1855=14...(17) HA TRP 88 + QD1 LEU 64 OK 31 100 - 31 - 10068/2.1=8, 1841/2.1=5...(10) HG1 THR 74 + QD1 LEU 64 OK 13 100 - 13 - ~8605=2, 1841/2.1=2...(5) HA PHE 38 - QD1 LEU 64 lone 10 100 - 10 - ~4739=2, 1841/2.1=2...(5) HB3 SER 44 - QD1 LEU 64 lone 3 81 - 4 - HB2 SER 44 - QD1 LEU 64 lone 3 81 - 4 - HA GLU 120 - QD1 LEU 64 lone 3 92 - 3 - HA CYS 121 - QD1 LEU 64 lone 2 62 - 2 - Peak 1850 from cnoeabs.peaks (0.92, 0.86, 22.38 ppm; 2.50 A): 5 out of 7 assignments used, quality = 0.95: * HB2 LEU 64 + QD1 LEU 64 OK 75 100 - 75 - 3.2=48, 1.8/1851=12...(15) QG2 VAL 63 + QD1 LEU 64 OK 39 92 - 42 - 8353/2.1=9, ~9869=6...(16) QD2 LEU 29 + QD1 LEU 64 OK 36 99 - 37 - 8074/2.1=8, 1842/2.1=5...(15) QG2 ILE 91 + QD1 LEU 64 OK 31 92 - 34 - 8971/2.1=4, ~8968=4...(13) QG1 VAL 63 + QD1 LEU 64 OK 29 77 - 37 - 9869/2.1=7, ~8353=5...(14) HB2 LEU 108 - QD1 LEU 64 OK 22 85 - 26 - 1842/2.1=3, 1834/2.1=2...(9) QG1 VAL 53 - QD1 LEU 64 lone 2 72 - 2 - Peak 1851 from cnoeabs.peaks (1.62, 0.86, 22.38 ppm; 2.89 A): 2 out of 11 assignments used, quality = 0.94: * HB3 LEU 64 + QD1 LEU 64 OK 91 100 - 91 - 3.2=74, 1.8/1822=18...(16) HB2 LEU 87 + QD1 LEU 64 OK 36 100 - 36 - 1828/2.1=5, 1843/2.1=5...(12) HG LEU 108 - QD1 LEU 64 OK 29 89 - 33 - 1843/2.1=3, 3.0/1850=3...(18) HB2 LEU 97 - QD1 LEU 64 OK 28 81 - 35 - ~10105=3, 10128/2.1=3...(15) HG3 LYS 34 - QD1 LEU 64 OK 22 77 - 28 - 1.8/10626=6, 1843/2.1=4...(10) HG3 ARG 49 - QD1 LEU 64 OK 13 100 - 13 - 3.0/9881=2, 1843/2.1=2 HG3 ARG 144 - QD1 LEU 64 lone 8 100 - 8 - HD2 LYS 24 - QD1 LEU 64 lone 7 77 - 9 - 11360/4.5=2, 1843/2.1=1 HG2 ARG 144 - QD1 LEU 64 lone 5 68 - 7 - HG2 ARG 141 - QD1 LEU 64 lone 3 85 - 3 - HG3 LYS 48 - QD1 LEU 64 lone 2 62 - 4 - Peak 1852 from cnoeabs.peaks (1.14, 0.86, 22.38 ppm; 2.67 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 QG2 THR 18 - QD1 LEU 64 OK 21 100 - 21 - 1844/2.1=5, 1820/3.2=3...(9) Peak 1853 from cnoeabs.peaks (0.63, 0.86, 22.38 ppm; 2.65 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 QD1 LEU 126 - QD1 LEU 64 OK 35 96 - 37 - 1853=7, 1837/2.1=6...(15) QD2 LEU 79 - QD1 LEU 64 OK 12 77 - 15 - 1837/2.1=2, 1821/3.2=2...(9) Peak 1854 from cnoeabs.peaks (0.86, 0.86, 22.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 1855 from cnoeabs.peaks (9.19, 0.86, 22.38 ppm; 3.10 A): 2 out of 2 assignments used, quality = 0.74: * H ASP 65 + QD1 LEU 64 OK 68 100 - 68 - 6627=30, 6625/2.1=17...(8) H TYR 112 + QD1 LEU 64 OK 18 100 - 18 - 1847/2.1=9, ~9303=3...(4) Peak 1856 from cnoeabs.peaks (9.19, 4.35, 52.40 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 H TYR 112 - HA ASP 65 OK 28 100 - 28 - 1861/3.0=6, 1866/3.0=5...(10) Peak 1857 from cnoeabs.peaks (4.35, 4.35, 52.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 65 + HA ASP 65 OK 100 100 - 100 Peak 1858 from cnoeabs.peaks (2.47, 4.35, 52.40 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 Peak 1859 from cnoeabs.peaks (3.04, 4.35, 52.40 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 HB2 PHE 67 + HA ASP 65 OK 52 100 - 52 - 3.7/8398=17, 1864/3.0=9...(14) HB2 HIS 10 - HA ASP 65 OK 12 85 - 13 - 1864/3.0=3, 4.7/10976=2...(7) HE2 LYS 34 - HA ASP 65 lone 5 72 - 6 - 10564/10902=1, 10565/10818=1 Peak 1860 from cnoeabs.peaks (7.64, 4.35, 52.40 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 66 + HA ASP 65 OK 100 100 - 100 - 3.6=100 H VAL 82 - HA ASP 65 OK 11 94 - 12 - 4.6/8385=2, 4.6/8385=2...(5) H LEU 97 - HA ASP 65 poor 9 72 - 13 - 10875/10902=2...(4) H GLU 122 - HA ASP 65 lone 5 100 - 5 - 6631/3.0=1 HD21 ASN 130 - HA ASP 65 lone 1 100 - 1 - Peak 1861 from cnoeabs.peaks (9.19, 2.47, 38.94 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 4.0=100 H TYR 112 - HB2 ASP 65 OK 22 100 - 22 - 1856/3.0=6, 1866/1.8=6...(5) Peak 1862 from cnoeabs.peaks (4.35, 2.47, 38.94 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB2 ASP 65 OK 39 89 - 44 - 2.1/8381=9, 1867/1.8=8...(13) HA ARG 144 - HB2 ASP 65 OK 30 94 - 32 - 1867/1.8=6, 6628/4.0=5...(10) HA3 GLY 77 - HB2 ASP 65 OK 15 100 - 15 - 1867/1.8=3, ~2341=2...(7) Peak 1863 from cnoeabs.peaks (2.47, 2.47, 38.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + HB2 ASP 65 OK 100 100 - 100 Peak 1864 from cnoeabs.peaks (3.04, 2.47, 38.94 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 1.8=100 HB2 PHE 67 - HB2 ASP 65 OK 39 100 - 39 - 1859/3.0=8, ~1943=6...(13) HB2 HIS 10 - HB2 ASP 65 poor 10 85 - 11 - 1859/3.0=2, ~10=2, ~10=2...(5) HE2 LYS 34 - HB2 ASP 65 lone 3 72 - 4 - Peak 1866 from cnoeabs.peaks (9.19, 3.04, 38.94 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 4.0=100 H TYR 112 - HB3 ASP 65 OK 19 100 - 19 - 1861/1.8=7, 1856/3.0=6...(5) Peak 1867 from cnoeabs.peaks (4.35, 3.04, 38.94 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB3 ASP 65 OK 41 89 - 46 - 1862/1.8=9, ~8381=7...(13) HA ARG 144 - HB3 ASP 65 OK 31 94 - 33 - 1862/1.8=7, ~8385=5...(10) HA3 GLY 77 - HB3 ASP 65 OK 15 100 - 15 - 1862/1.8=3, ~2341=3...(6) Peak 1868 from cnoeabs.peaks (2.47, 3.04, 38.94 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 1.8=100 Peak 1869 from cnoeabs.peaks (3.04, 3.04, 38.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 65 + HB3 ASP 65 OK 100 100 - 100 Peak 1871 from cnoeabs.peaks (7.64, 3.82, 56.99 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 66 + HA LEU 66 OK 100 100 - 100 - 2.8=100 H VAL 82 + HA LEU 66 OK 57 94 - 60 - 1906/4.0=11, 1914/4.0=10...(18) H GLU 122 - HA LEU 66 OK 29 100 - 29 - 6646/3.6=5, 1906/4.0=4...(10) H LEU 97 - HA LEU 66 OK 13 72 - 18 - 4.8/11155=2, 6646/3.6=2...(7) HD21 ASN 130 - HA LEU 66 lone 7 100 - 6 - Peak 1872 from cnoeabs.peaks (3.82, 3.82, 56.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 66 + HA LEU 66 OK 100 100 - 100 Peak 1873 from cnoeabs.peaks (1.57, 3.82, 56.99 ppm; 4.88 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + HA LEU 66 OK 100 100 - 100 - 3.0=100 HB2 LEU 126 + HA LEU 66 OK 76 100 - 76 - 3.1/10786=18, 4278/3.0=9...(33) HG3 ARG 109 + HA LEU 66 OK 66 92 - 72 - 3561/3.7=9, 2.8/1875=9...(27) HG2 ARG 109 + HA LEU 66 OK 65 92 - 70 - 2.8/1875=9, 2.8/1880=8...(30) HG3 ARG 124 - HA LEU 66 OK 34 96 - 36 - 11072/10786=4...(19) HD2 LYS 85 - HA LEU 66 OK 27 99 - 27 - 1892/3.0=3, 1908/4.0=3...(10) HD3 LYS 85 - HA LEU 66 OK 26 99 - 26 - 1892/3.0=3, 1908/4.0=2...(9) HG2 ARG 145 - HA LEU 66 OK 22 100 - 22 - 3.0/11127=2, 1892/3.0=2...(10) HG3 ARG 145 - HA LEU 66 OK 22 99 - 21 - 3.0/11127=2, 3.0/11127=2...(9) Peak 1874 from cnoeabs.peaks (1.45, 3.82, 56.99 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 66 + HA LEU 66 OK 100 100 - 100 - 3.0=100 HG LEU 126 + HA LEU 66 OK 47 77 - 60 - 2.1/10786=16, 1885/3.0=5...(25) HB2 LYS 76 - HA LEU 66 OK 41 94 - 44 - 4.0/9855=8, 1909/4.0=5...(17) HB3 LYS 123 - HA LEU 66 OK 28 100 - 28 - 6639/2.8=4, 1917/4.0=3...(12) HB3 LYS 114 - HA LEU 66 OK 23 77 - 30 - 6649/3.6=4, 1917/4.0=4...(13) HG2 LYS 48 - HA LEU 66 OK 13 100 - 12 - 1909/4.0=2, 1885/3.0=2...(6) Peak 1875 from cnoeabs.peaks (1.72, 3.82, 56.99 ppm; 4.24 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 66 + HA LEU 66 OK 100 100 - 100 - 3.7=100 HB3 ARG 109 + HA LEU 66 OK 59 100 - 60 - 1.8/1880=8, 1918/4.0=7...(24) HB3 GLU 81 - HA LEU 66 OK 42 100 - 42 - 2454/2.8=7, 4.6/1871=6...(14) HD2 LYS 36 - HA LEU 66 OK 24 92 - 26 - 1886/3.0=3, 6650/3.6=3...(10) HB2 GLU 81 - HA LEU 66 OK 23 62 - 38 - 4.6/1871=6, ~2454=5...(15) HG3 ARG 89 - HA LEU 66 OK 13 100 - 13 - 2.8/1881=3, 1886/3.0=2...(7) HB3 ARG 144 - HA LEU 66 OK 11 96 - 12 - 6650/3.6=3, 6640/2.8=2...(4) Peak 1876 from cnoeabs.peaks (0.57, 3.82, 56.99 ppm; 3.49 A): 3 out of 4 assignments used, quality = 0.96: * QD1 LEU 66 + HA LEU 66 OK 87 100 - 87 - 4.0=67, 1906/2.8=13...(18) QG1 VAL 71 + HA LEU 66 OK 48 96 - 50 - 2.1/8506=11, 1876=8...(14) QD1 LEU 132 + HA LEU 66 OK 36 81 - 44 - 1876=10, 2.1/9572=5...(12) QG2 ILE 58 - HA LEU 66 OK 25 100 - 25 - 10572/10563=4...(8) Peak 1877 from cnoeabs.peaks (0.67, 3.82, 56.99 ppm; 3.94 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HA LEU 66 OK 99 100 - 99 - 4.0=96, 2.1/1907=21...(15) QD2 LEU 39 + HA LEU 66 OK 67 100 - 67 - 11496/3.0=15...(18) HB3 LEU 116 + HA LEU 66 OK 54 85 - 63 - 3.2/8390=17, 3.1/8390=12...(18) QD1 ILE 83 + HA LEU 66 OK 49 96 - 50 - 10004/4.0=10, 6642/2.8=6...(16) Peak 1879 from cnoeabs.peaks (8.63, 3.82, 56.99 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.83: * H LEU 69 + HA LEU 66 OK 76 100 - 76 - 6660/3.6=24, 6680=20...(15) H LEU 42 + HA LEU 66 OK 31 98 - 31 - 6660/3.6=8, 10734/4.0=7...(11) Peak 1880 from cnoeabs.peaks (1.38, 3.82, 56.99 ppm; 4.35 A): 4 out of 7 assignments used, quality = 0.97: * HB2 LEU 69 + HA LEU 66 OK 65 100 - 65 - 4.0/1879=18, 3.2/8390=16...(12) HB2 ARG 109 + HA LEU 66 OK 62 100 - 62 - 1.8/1875=9, 3533/3.7=7...(24) HB3 LEU 39 + HA LEU 66 OK 62 94 - 66 - ~11442=11, ~8392=9...(19) HG LEU 132 + HA LEU 66 OK 48 96 - 49 - 2.1/1876=12, 2.1/9572=8...(13) HB VAL 82 - HA LEU 66 OK 35 77 - 45 - ~2491=8, 4.0/1871=7...(12) HG2 LYS 86 - HA LEU 66 OK 23 94 - 24 - 2708/3.0=4, 1.8/1874=3...(8) HG2 ARG 49 - HA LEU 66 OK 11 100 - 11 - Peak 1881 from cnoeabs.peaks (1.90, 3.82, 56.99 ppm; 4.22 A): 5 out of 12 assignments used, quality = 0.95: * HB3 LEU 69 + HA LEU 66 OK 64 100 - 64 - 4.0/1879=17, 3.2/8390=15...(14) HB ILE 136 + HA LEU 66 OK 49 94 - 52 - 2.1/10328=8, 2.5/9666=8...(14) HG13 ILE 83 + HA LEU 66 OK 40 89 - 45 - 2.1/1877=7, 2536/4.0=6...(13) QE MET 68 + HA LEU 66 OK 35 100 - 35 - 8425/4.0=6, 5.9/6663=6...(11) HB ILE 101 + HA LEU 66 OK 28 99 - 28 - 2.1/11155=5, 9168=4...(8) HB2 LYS 86 - HA LEU 66 OK 19 81 - 24 - 2686/3.0=3, 2.9/1874=3...(11) HB3 ARG 89 - HA LEU 66 OK 14 98 - 14 - 9890/4.0=2, 2871/3.7=2 HB3 GLN 111 - HA LEU 66 OK 11 94 - 11 - 4.6/7356=2, ~3615=1 HB2 LYS 24 - HA LEU 66 lone 6 98 - 6 - HB2 MET 59 - HA LEU 66 lone 5 68 - 7 - 9890/4.0=1, 4.2/10564=1 HB3 ARG 140 - HA LEU 66 lone 3 72 - 4 - HB3 LYS 93 - HA LEU 66 lone 3 68 - 4 - Peak 1883 from cnoeabs.peaks (3.82, 1.57, 43.18 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.0=100 HA THR 110 + HB2 LEU 66 OK 56 81 - 69 - ~10452=14, ~7308=10...(16) HA GLN 133 + HB2 LEU 66 OK 53 89 - 60 - 1907/3.1=11, 1915/3.1=11...(20) HD2 PRO 118 - HB2 LEU 66 OK 39 98 - 40 - 1915/3.1=6, 1891/1.8=5...(13) HB2 SER 100 - HB2 LEU 66 OK 28 94 - 30 - 1891/1.8=4, 1907/3.1=4...(10) HA3 GLY 50 - HB2 LEU 66 OK 22 100 - 22 - 1891/1.8=3, 1899/2.9=3...(9) Peak 1884 from cnoeabs.peaks (1.57, 1.57, 43.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 66 + HB2 LEU 66 OK 100 100 - 100 Peak 1885 from cnoeabs.peaks (1.45, 1.57, 43.18 ppm; 4.51 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 1.8=100 HG LEU 126 + HB2 LEU 66 OK 59 77 - 77 - ~10786=10, ~11154=9...(33) HB2 LYS 76 + HB2 LEU 66 OK 52 94 - 55 - ~9891=7, 1909/3.1=7...(18) HB3 LYS 114 - HB2 LEU 66 OK 36 77 - 47 - ~9862=8, 1917/3.1=5...(16) HB3 LYS 123 - HB2 LEU 66 OK 35 100 - 35 - 1917/3.1=4, ~4109=4...(12) HG2 LYS 48 - HB2 LEU 66 OK 19 100 - 18 - 1909/3.1=2, 1917/3.1=2...(7) Peak 1886 from cnoeabs.peaks (1.72, 1.57, 43.18 ppm; 4.97 A): 4 out of 7 assignments used, quality = 1.00: * HG LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 2.9=100 HB3 ARG 109 + HB2 LEU 66 OK 84 100 - 84 - ~9272=12, 1918/3.1=10...(33) HB3 GLU 81 + HB2 LEU 66 OK 57 100 - 58 - 4.0/8778=8, 2454/3.9=8...(20) HD2 LYS 36 + HB2 LEU 66 OK 48 92 - 52 - 1.8/721=5, 2.9/688=5...(25) HB2 GLU 81 - HB2 LEU 66 OK 30 62 - 48 - 4.0/8778=8, 4.6/11520=6...(18) HG3 ARG 89 - HB2 LEU 66 OK 22 100 - 22 - 1910/3.1=2, 1918/3.1=2...(12) HB3 ARG 144 - HB2 LEU 66 OK 15 96 - 15 - 6650/4.4=3, 6640/3.9=2...(6) Peak 1887 from cnoeabs.peaks (0.57, 1.57, 43.18 ppm; 5.03 A): 4 out of 4 assignments used, quality = 1.00: * QD1 LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.1=100 QG1 VAL 71 + HB2 LEU 66 OK 77 96 - 80 - ~9898=14, 1895/1.8=11...(22) QD1 LEU 132 + HB2 LEU 66 OK 60 81 - 73 - 1895/1.8=11, 1919/3.1=10...(22) QG2 ILE 58 + HB2 LEU 66 OK 45 100 - 45 - 10572/11465=8...(13) Peak 1888 from cnoeabs.peaks (0.67, 1.57, 43.18 ppm; 4.01 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.1=100 QD2 LEU 39 + HB2 LEU 66 OK 85 100 - 85 - 11496=21, 1896/1.8=10...(35) HB3 LEU 116 + HB2 LEU 66 OK 69 85 - 80 - 3.2/11090=12...(33) QD1 ILE 83 + HB2 LEU 66 OK 67 96 - 70 - 10004/3.1=13, 1896/1.8=8...(32) Peak 1891 from cnoeabs.peaks (3.82, 1.45, 43.18 ppm; 4.96 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.0=100 HA GLN 133 - HB3 LEU 66 OK 42 89 - 48 - 1907/3.1=10, 1915/3.1=8...(14) HA THR 110 - HB3 LEU 66 OK 40 81 - 49 - ~10452=7, 1915/3.1=6...(14) HD2 PRO 118 - HB3 LEU 66 OK 25 98 - 26 - 1915/3.1=4, 1907/3.1=4...(10) HB2 SER 100 - HB3 LEU 66 OK 21 94 - 22 - 1907/3.1=4, 1915/3.1=3...(8) HA3 GLY 50 - HB3 LEU 66 OK 15 100 - 15 - 1907/3.1=2, 1915/3.1=2...(8) Peak 1892 from cnoeabs.peaks (1.57, 1.45, 43.18 ppm; 4.22 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 1.8=100 HB2 LEU 126 + HB3 LEU 66 OK 74 100 - 75 - 4278=11, 3.1/4302=7...(36) HG2 ARG 109 + HB3 LEU 66 OK 73 92 - 80 - ~3561=6, 1916/3.1=6...(43) HG3 ARG 109 + HB3 LEU 66 OK 72 92 - 78 - 3561/2.9=9, 1908/3.1=6...(40) HG3 ARG 124 - HB3 LEU 66 OK 35 96 - 36 - 4.9/7543=4, 3.0/11074=4...(22) HD2 LYS 85 - HB3 LEU 66 OK 31 99 - 32 - 1908/3.1=3, 1916/3.1=2...(16) HD3 LYS 85 - HB3 LEU 66 OK 30 99 - 30 - 1908/3.1=2, 1916/3.1=2...(14) HG2 ARG 145 - HB3 LEU 66 OK 21 100 - 21 - 1916/3.1=2, 1908/3.1=1...(5) HG3 ARG 145 - HB3 LEU 66 OK 21 99 - 21 - 1916/3.1=2, 1908/3.1=1...(5) Peak 1893 from cnoeabs.peaks (1.45, 1.45, 43.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 66 + HB3 LEU 66 OK 100 100 - 100 Peak 1894 from cnoeabs.peaks (1.72, 1.45, 43.18 ppm; 6.57 A): 4 out of 7 assignments used, quality = 1.00: * HG LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 2.9=100 HB3 ARG 109 + HB3 LEU 66 OK 93 100 - 93 - ~9272=20, ~9273=14...(33) HB3 GLU 81 + HB3 LEU 66 OK 67 100 - 67 - 2454/3.9=11, ~8785=11...(20) HD2 LYS 36 + HB3 LEU 66 OK 52 92 - 56 - 1886/1.8=7, ~9865=6...(20) HB2 GLU 81 - HB3 LEU 66 OK 36 62 - 58 - 4.6/11521=10, ~1886=7...(18) HG3 ARG 89 - HB3 LEU 66 OK 30 100 - 30 - 1886/1.8=3, ~1881=3...(15) HB3 ARG 144 - HB3 LEU 66 OK 19 96 - 19 - 6650/4.4=5, 6640/3.9=3...(6) Peak 1895 from cnoeabs.peaks (0.57, 1.45, 43.18 ppm; 4.91 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.1=100 QG1 VAL 71 + HB3 LEU 66 OK 76 96 - 78 - ~9898=14, 1876/3.0=11...(20) QD1 LEU 132 + HB3 LEU 66 OK 59 81 - 72 - 1895=12, 1919/3.1=9...(20) QG2 ILE 58 - HB3 LEU 66 OK 39 100 - 39 - 1887/1.8=6, 1903/2.9=6...(12) Peak 1896 from cnoeabs.peaks (0.67, 1.45, 43.18 ppm; 4.09 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.1=100 QD2 LEU 39 + HB3 LEU 66 OK 86 100 - 86 - 11496/1.8=20...(33) HB3 LEU 116 + HB3 LEU 66 OK 70 85 - 82 - ~11090=9, 1888/1.8=8...(33) QD1 ILE 83 + HB3 LEU 66 OK 68 96 - 71 - 10004/3.1=13, 1888/1.8=8...(30) Peak 1898 from cnoeabs.peaks (7.64, 1.72, 26.41 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.99: * H LEU 66 + HG LEU 66 OK 96 100 - 96 - 4.8=81, 1906/2.1=22...(14) H VAL 82 + HG LEU 66 OK 71 94 - 75 - 1906/2.1=17, ~9910=15...(18) H GLU 122 - HG LEU 66 OK 26 100 - 26 - 1906/2.1=6, 1914/2.1=5...(7) H LEU 97 - HG LEU 66 OK 12 72 - 16 - 1906/2.1=3...(5) HD21 ASN 130 - HG LEU 66 lone 6 100 - 6 - 1914/2.1=1, 1906/2.1=1 Peak 1899 from cnoeabs.peaks (3.82, 1.72, 26.41 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 66 + HG LEU 66 OK 100 100 - 100 - 3.7=100 HA THR 110 + HG LEU 66 OK 53 81 - 66 - 3.2/10452=21...(14) HA GLN 133 + HG LEU 66 OK 53 89 - 59 - 1915/2.1=12, 1907/2.1=11...(15) HD2 PRO 118 - HG LEU 66 OK 31 98 - 31 - 1915/2.1=6, 1891/2.9=5...(8) HB2 SER 100 - HG LEU 66 OK 25 94 - 27 - 1907/2.1=4, 1891/2.9=4...(7) HA3 GLY 50 - HG LEU 66 OK 21 100 - 20 - 1891/2.9=3, 1883/2.9=3...(7) Peak 1900 from cnoeabs.peaks (1.57, 1.72, 26.41 ppm; 5.81 A): 5 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.9=100 HG2 ARG 109 + HG LEU 66 OK 87 92 - 94 - ~9274=13, ~9274=12...(42) HG3 ARG 109 + HG LEU 66 OK 86 92 - 93 - ~9274=13, ~9274=12...(42) HB2 LEU 126 + HG LEU 66 OK 84 100 - 84 - 4278/2.9=11, ~1917=8...(33) HD2 LYS 85 + HG LEU 66 OK 47 99 - 47 - ~9860=4, ~8403=4...(16) HD3 LYS 85 - HG LEU 66 OK 44 99 - 45 - ~9860=4, ~8403=4...(16) HG3 ARG 124 - HG LEU 66 OK 42 96 - 44 - ~11074=4, 1916/2.1=4...(19) HG2 ARG 145 - HG LEU 66 OK 34 100 - 34 - 1892/2.9=2, 1916/2.1=2...(15) HG3 ARG 145 - HG LEU 66 OK 34 99 - 34 - 1892/2.9=2, 1916/2.1=2...(16) Peak 1901 from cnoeabs.peaks (1.45, 1.72, 26.41 ppm; 5.65 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.9=100 HB2 LYS 76 + HG LEU 66 OK 65 94 - 68 - ~9891=15, ~9899=11...(18) HG LEU 126 + HG LEU 66 OK 59 77 - 77 - 1885/2.9=9, 1874/3.7=8...(28) HB3 LYS 114 + HG LEU 66 OK 45 77 - 59 - ~9862=17, ~9900=8...(18) HB3 LYS 123 - HG LEU 66 OK 39 100 - 39 - ~8405=6, 1917/2.1=5...(10) HG2 LYS 48 - HG LEU 66 OK 22 100 - 22 - 1909/2.1=3, 1917/2.1=3...(7) Peak 1902 from cnoeabs.peaks (1.72, 1.72, 26.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 66 + HG LEU 66 OK 100 100 - 100 Peak 1903 from cnoeabs.peaks (0.57, 1.72, 26.41 ppm; 4.13 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.1=100 QG1 VAL 71 + HG LEU 66 OK 62 96 - 65 - ~9898=12, 1919/2.1=10...(17) QD1 LEU 132 + HG LEU 66 OK 48 81 - 59 - 1919/2.1=9, ~4508=7...(18) QG2 ILE 58 - HG LEU 66 OK 37 100 - 37 - 10572/11466=8...(12) Peak 1904 from cnoeabs.peaks (0.67, 1.72, 26.41 ppm; 3.92 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.1=100 QD2 LEU 39 + HG LEU 66 OK 82 100 - 82 - 11496/2.9=15...(29) QD1 ILE 83 + HG LEU 66 OK 71 96 - 74 - 10004/2.1=15, 1888/2.9=6...(30) HB3 LEU 116 + HG LEU 66 OK 65 85 - 76 - ~9900=8, ~9393=8...(27) Peak 1906 from cnoeabs.peaks (7.64, 0.57, 21.20 ppm; 3.58 A): 4 out of 5 assignments used, quality = 0.94: * H LEU 66 + QD1 LEU 66 OK 79 100 - 79 - 4.5=50, 2.8/1907=16...(11) H VAL 82 + QD1 LEU 66 OK 57 94 - 61 - 1906=13, 1914/2.1=10...(22) H GLU 122 + QD1 LEU 66 OK 22 100 - 22 - 4.7/9897=5, 1914/2.1=4...(8) H LEU 97 + QD1 LEU 66 OK 10 72 - 14 - 4.8/9892=2...(5) HD21 ASN 130 - QD1 LEU 66 lone 4 100 - 4 - Peak 1907 from cnoeabs.peaks (3.82, 0.57, 21.20 ppm; 3.14 A): 5 out of 6 assignments used, quality = 0.89: * HA LEU 66 + QD1 LEU 66 OK 75 100 - 75 - 4.0=49, 2.8/1906=10...(15) HA GLN 133 + QD1 LEU 66 OK 30 89 - 34 - 1907=9, 1915/2.1=3...(11) HA THR 110 + QD1 LEU 66 OK 17 81 - 21 - 1915/2.1=3, ~10452=3...(10) HB2 SER 100 + QD1 LEU 66 OK 13 94 - 14 - 1907=2, 8465/8474=2...(4) HD2 PRO 118 + QD1 LEU 66 OK 13 98 - 13 - 1915/2.1=2, 1891/3.1=1 HA3 GLY 50 - QD1 LEU 66 lone 7 100 - 7 - Peak 1908 from cnoeabs.peaks (1.57, 0.57, 21.20 ppm; 3.41 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 3.1=100 HG2 ARG 109 + QD1 LEU 66 OK 57 92 - 62 - 1.8/1908=7, 2.8/1910=6...(29) HG3 ARG 109 + QD1 LEU 66 OK 56 92 - 61 - 3561/2.1=8, 1908=7...(25) HB2 LEU 126 + QD1 LEU 66 OK 46 100 - 46 - 4278/3.1=5, 3.0/1909=5...(25) HD2 LYS 85 - QD1 LEU 66 OK 24 99 - 24 - 1.8/1908=2, 2.9/9860=2...(9) HD3 LYS 85 - QD1 LEU 66 OK 23 99 - 23 - 1908=3, 2.9/9860=2...(8) HG3 ARG 124 - QD1 LEU 66 OK 18 96 - 18 - 1908=3, 1916/2.1=3...(5) HG2 ARG 145 - QD1 LEU 66 OK 14 100 - 14 - 1916/2.1=1 HG3 ARG 145 - QD1 LEU 66 OK 14 99 - 14 - 1916/2.1=1 Peak 1909 from cnoeabs.peaks (1.45, 0.57, 21.20 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 3.1=100 HB2 LYS 76 - QD1 LEU 66 OK 39 94 - 42 - 3.0/9891=10, 1909=8...(15) HG LEU 126 - QD1 LEU 66 OK 30 77 - 39 - 1909=5, 1917/2.1=4...(24) HB3 LYS 114 - QD1 LEU 66 OK 25 77 - 33 - ~9862=5, 1909=5...(12) HB3 LYS 123 - QD1 LEU 66 OK 19 100 - 19 - 1917/2.1=3, ~8405=2...(8) HG2 LYS 48 - QD1 LEU 66 OK 13 100 - 13 - 1917/2.1=2, 3.6/9860=1 Peak 1910 from cnoeabs.peaks (1.72, 0.57, 21.20 ppm; 3.21 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 2.1=100 HB3 ARG 109 + QD1 LEU 66 OK 49 100 - 49 - 1918/2.1=7, ~9272=5...(21) HB3 GLU 81 - QD1 LEU 66 OK 29 100 - 29 - 4.6/1906=5, 1918/2.1=4...(10) HD2 LYS 36 - QD1 LEU 66 OK 21 92 - 23 - 2.9/9865=4, 1918/2.1=3...(8) HB2 GLU 81 - QD1 LEU 66 OK 14 62 - 23 - 4.6/1906=5, ~1918=3...(9) HG3 ARG 89 - QD1 LEU 66 OK 11 100 - 11 - 2.8/9890=2, 1918/2.1=1 HB3 ARG 144 - QD1 LEU 66 lone 7 96 - 7 - Peak 1911 from cnoeabs.peaks (0.57, 0.57, 21.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 66 + QD1 LEU 66 OK 100 100 - 100 Peak 1912 from cnoeabs.peaks (0.67, 0.57, 21.20 ppm; 2.53 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 2.1=100 QD2 LEU 39 + QD1 LEU 66 OK 54 100 - 54 - 2.1/11159=9, 1912=9...(22) QD1 ILE 83 - QD1 LEU 66 OK 43 96 - 45 - 10004=12, 2.1/10784=4...(20) HB3 LEU 116 - QD1 LEU 66 OK 37 85 - 44 - 3.1/9889=6, 3.2/9856=6...(23) Peak 1913 from cnoeabs.peaks (7.29, 0.57, 21.20 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.90: * H PHE 67 + QD1 LEU 66 OK 80 100 - 80 - 1913=20, 1921/2.1=18...(22) QD TYR 115 + QD1 LEU 66 OK 50 62 - 80 - 2.2/9903=21, 1913=16...(15) QE PHE 106 - QD1 LEU 66 lone 7 89 - 8 - ~11522=3, 1921/2.1=2 HZ2 TRP 17 - QD1 LEU 66 lone 5 96 - 5 - 1921/2.1=1 Peak 1914 from cnoeabs.peaks (7.64, 0.67, 24.82 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.97: * H LEU 66 + QD2 LEU 66 OK 92 100 - 92 - 4.5=69, 1906/2.1=18...(17) H VAL 82 + QD2 LEU 66 OK 67 94 - 71 - 3.4/9910=20, 1906/2.1=14...(20) H GLU 122 - QD2 LEU 66 OK 27 100 - 27 - 1906/2.1=5, 4.7/8404=4...(9) H LEU 97 - QD2 LEU 66 OK 11 72 - 15 - 1906/2.1=2, 4.8/9901=2...(5) HD21 ASN 130 - QD2 LEU 66 lone 6 100 - 6 - 1906/2.1=1 Peak 1915 from cnoeabs.peaks (3.82, 0.67, 24.82 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 4.0=100 HA GLN 133 - QD2 LEU 66 OK 37 89 - 42 - 1907/2.1=10, 1915=8...(13) HA THR 110 - QD2 LEU 66 OK 33 81 - 41 - 9337/11045=6, ~10452=6...(11) HD2 PRO 118 - QD2 LEU 66 OK 25 98 - 26 - 4.6/11522=6, 1907/2.1=4...(9) HB2 SER 100 - QD2 LEU 66 OK 18 94 - 19 - 1907/2.1=4, 1915=2...(8) HA3 GLY 50 - QD2 LEU 66 OK 11 100 - 11 - 1907/2.1=2, 9337/11045=2...(4) Peak 1916 from cnoeabs.peaks (1.57, 0.67, 24.82 ppm; 3.37 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 3.1=100 HG2 ARG 109 + QD2 LEU 66 OK 58 92 - 64 - 3.0/9274=7, 1.8/1916=6...(29) HG3 ARG 109 + QD2 LEU 66 OK 57 92 - 62 - 3561/2.1=8, 3.0/9274=7...(25) HB2 LEU 126 + QD2 LEU 66 OK 45 100 - 46 - 4278/3.1=5, 3.0/1917=5...(24) HG3 ARG 124 - QD2 LEU 66 OK 24 96 - 25 - 4.9/9475=5, 4.9/9491=3...(7) HD2 LYS 85 - QD2 LEU 66 OK 23 99 - 24 - 1.8/1916=2, 1908/2.1=2...(9) HD3 LYS 85 - QD2 LEU 66 OK 22 99 - 22 - 1916=2, 1908/2.1=2...(8) HG2 ARG 145 - QD2 LEU 66 OK 16 100 - 15 - 1908/2.1=1 HG3 ARG 145 - QD2 LEU 66 OK 15 99 - 15 - 1908/2.1=1 Peak 1917 from cnoeabs.peaks (1.45, 0.67, 24.82 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 3.1=100 HB2 LYS 76 - QD2 LEU 66 OK 38 94 - 40 - 3.0/9899=7, 1917=7...(14) HG LEU 126 - QD2 LEU 66 OK 34 77 - 44 - 1909/2.1=5, 1917=5...(24) HB3 LYS 114 - QD2 LEU 66 OK 30 77 - 39 - 2.9/9862=13, 1917=5...(13) HB3 LYS 123 - QD2 LEU 66 OK 26 100 - 26 - 4.2/9475=6, 3.0/8405=4...(11) HG2 LYS 48 - QD2 LEU 66 OK 13 100 - 13 - 1909/2.1=2, 1885/3.1=1 Peak 1918 from cnoeabs.peaks (1.72, 0.67, 24.82 ppm; 3.35 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 2.1=100 HB3 ARG 109 + QD2 LEU 66 OK 57 100 - 57 - 1910/2.1=7, 3.6/9274=6...(24) HB3 GLU 81 - QD2 LEU 66 OK 37 100 - 37 - 4.0/9910=12, 4.6/1914=5...(10) HD2 LYS 36 - QD2 LEU 66 OK 22 92 - 24 - 1910/2.1=3, ~9865=2...(9) HB2 GLU 81 - QD2 LEU 66 OK 20 62 - 32 - 4.0/9910=12, 4.6/1914=5...(11) HG3 ARG 89 - QD2 LEU 66 OK 11 100 - 11 - 1910/2.1=2 HB3 ARG 144 - QD2 LEU 66 lone 7 96 - 7 - 1910/2.1=1 Peak 1919 from cnoeabs.peaks (0.57, 0.67, 24.82 ppm; 2.73 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 2.1=100 QG1 VAL 71 - QD2 LEU 66 OK 37 96 - 38 - 1919=6, ~9898=4...(15) QD1 LEU 132 - QD2 LEU 66 OK 31 81 - 37 - 1919=8, ~4508=3, ~4500=3...(17) QG2 ILE 58 - QD2 LEU 66 OK 16 100 - 16 - 1903/2.1=2...(8) Peak 1920 from cnoeabs.peaks (0.67, 0.67, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 66 + QD2 LEU 66 OK 100 100 - 100 Peak 1921 from cnoeabs.peaks (7.29, 0.67, 24.82 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.91: * H PHE 67 + QD2 LEU 66 OK 78 100 - 79 - 1913/2.1=21, 6652=19...(20) QD TYR 115 + QD2 LEU 66 OK 55 62 - 88 - 2.2/9907=20, ~9866=16...(23) QE PHE 106 + QD2 LEU 66 OK 10 89 - 11 - 2.2/11522=4, 1913/2.1=2...(4) HZ2 TRP 17 - QD2 LEU 66 lone 6 96 - 6 - 11049/8400=1, 1913/2.1=1 Peak 1922 from cnoeabs.peaks (7.29, 4.19, 58.85 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 67 + HA PHE 67 OK 100 100 - 100 - 2.8=100 QD TYR 115 - HA PHE 67 OK 27 62 - 44 - 2.5/1925=7, 1941/3.0=6...(17) HZ2 TRP 17 - HA PHE 67 OK 26 96 - 27 - 5526/5.6=8, 1933/3.0=5...(8) QE PHE 106 - HA PHE 67 OK 13 89 - 14 - 4.4/1925=2, 1933/3.0=2...(8) Peak 1923 from cnoeabs.peaks (4.19, 4.19, 58.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 67 + HA PHE 67 OK 100 100 - 100 Peak 1924 from cnoeabs.peaks (3.04, 4.19, 58.85 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 67 + HA PHE 67 OK 100 100 - 100 - 3.0=100 HB3 ASP 65 + HA PHE 67 OK 50 100 - 51 - 6654/2.8=12, ~8398=11...(9) HE2 LYS 34 - HA PHE 67 OK 10 72 - 14 - 6666/3.6=5, 6654/2.8=3...(5) HB2 HIS 10 - HA PHE 67 lone 6 85 - 7 - 1943/3.0=2, 6666/3.6=1 Peak 1925 from cnoeabs.peaks (2.95, 4.19, 58.85 ppm; 3.92 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 67 + HA PHE 67 OK 100 100 - 100 - 3.0=100 HB2 TYR 115 + HA PHE 67 OK 48 100 - 48 - 2.5/1922=8, 6655/2.8=7...(18) HB2 PHE 106 - HA PHE 67 OK 21 100 - 21 - 4.7/9215=5, 1936/3.0=2...(11) HE2 LYS 85 - HA PHE 67 OK 13 100 - 13 - 6655/2.8=2, 1936/3.0=2...(7) HE3 LYS 85 - HA PHE 67 OK 12 92 - 13 - 6655/2.8=2, 1936/3.0=2...(6) HE2 LYS 48 - HA PHE 67 OK 11 100 - 11 - 6655/2.8=2, 1936/3.0=2...(6) HE3 LYS 48 - HA PHE 67 OK 11 98 - 11 - 6655/2.8=2, 1936/3.0=2...(6) HE2 LYS 93 - HA PHE 67 lone 7 100 - 7 - 1936/3.0=1, 6667/3.6=1 HE3 LYS 93 - HA PHE 67 lone 5 77 - 6 - Peak 1926 from cnoeabs.peaks (6.82, 4.19, 58.85 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 67 + HA PHE 67 OK 100 100 - 100 - 3.7=100 HZ2 TRP 88 - HA PHE 67 OK 32 99 - 32 - 6656/2.8=7, 1937/3.0=7...(9) HE21 GLN 133 - HA PHE 67 OK 14 77 - 18 - 6668/3.6=3, 3.5/9602=3...(7) Peak 1929 from cnoeabs.peaks (7.07, 4.19, 58.85 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * H MET 68 + HA PHE 67 OK 100 100 - 100 - 3.6=100 QD TYR 70 - HA PHE 67 OK 45 81 - 55 - 4.4/1930=17, 5.0/6718=14...(8) QE PHE 67 - HA PHE 67 OK 42 72 - 58 - 5.6=41, ~6656=13...(6) Peak 1930 from cnoeabs.peaks (7.49, 4.19, 58.85 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.93: * H TYR 70 + HA PHE 67 OK 90 100 - 90 - 6700=36, 4.1/6718=24...(15) HD1 TRP 88 + HA PHE 67 OK 21 94 - 22 - 5.0/1926=7, 6678/3.6=5...(6) HE21 GLN 47 + HA PHE 67 OK 17 99 - 17 - 3.5/9602=4, 3.5/9602=4...(5) HE ARG 49 - HA PHE 67 lone 9 99 - 9 - 6678/3.6=4, 10203/4.9=1 HE22 GLN 25 - HA PHE 67 lone 4 85 - 4 - 6678/3.6=1 Peak 1931 from cnoeabs.peaks (3.15, 4.19, 58.85 ppm; 5.77 A): 4 out of 4 assignments used, quality = 0.92: * HB2 TYR 70 + HA PHE 67 OK 79 100 - 79 - 3.6/1930=37, 4.4/6718=28...(13) HA LEU 39 + HA PHE 67 OK 48 96 - 50 - 3.0/8412=14, ~8407=12...(8) HA VAL 80 + HA PHE 67 OK 20 72 - 28 - ~11232=8, ~11234=7...(6) HB2 TRP 17 + HA PHE 67 OK 10 96 - 10 - 6.5/1922=4, 6711/1930=1...(4) Peak 1932 from cnoeabs.peaks (2.73, 4.19, 58.85 ppm; 5.70 A): 2 out of 6 assignments used, quality = 0.97: HB2 PHE 38 + HA PHE 67 OK 86 100 - 86 - 2.6/9868=39, 4.5/8396=39...(9) * HB3 TYR 70 + HA PHE 67 OK 81 100 - 81 - 3.6/1930=36, 4.4/6718=28...(10) HB3 MET 46 - HA PHE 67 OK 38 92 - 42 - ~10704=10, 3.0/11507=8...(12) HB3 GLU 120 - HA PHE 67 OK 13 100 - 13 - 4.6/7499=4, 5557/9911=2...(5) HB2 ASN 96 - HA PHE 67 lone 5 89 - 6 - HB2 ASN 84 - HA PHE 67 lone 4 72 - 6 - Peak 1933 from cnoeabs.peaks (7.29, 3.04, 38.31 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 67 + HB2 PHE 67 OK 100 100 - 100 - 3.7=100 HZ2 TRP 17 + HB2 PHE 67 OK 50 96 - 52 - 5526/4.4=18, 1941/1.8=10...(8) QD TYR 115 - HB2 PHE 67 OK 33 62 - 53 - 1941/1.8=11, 1922/3.0=9...(12) QE PHE 106 - HB2 PHE 67 OK 18 89 - 20 - 1922/3.0=3, ~5640=3...(7) Peak 1934 from cnoeabs.peaks (4.19, 3.04, 38.31 ppm; 5.91 A): 2 out of 3 assignments used, quality = 1.00: * HA PHE 67 + HB2 PHE 67 OK 100 100 - 100 - 3.0=100 HA PHE 43 + HB2 PHE 67 OK 54 99 - 54 - 1942/1.8=11, 1934=11...(12) HA CYS 121 - HB2 PHE 67 OK 28 92 - 31 - 1942/1.8=7, 6653/3.7=5...(7) Peak 1935 from cnoeabs.peaks (3.04, 3.04, 38.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 67 + HB2 PHE 67 OK 100 100 - 100 Peak 1936 from cnoeabs.peaks (2.95, 3.04, 38.31 ppm; 4.43 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 67 + HB2 PHE 67 OK 100 100 - 100 - 1.8=100 HB2 TYR 115 + HB2 PHE 67 OK 60 100 - 61 - 1936=10, 1925/3.0=7...(17) HB2 PHE 106 - HB2 PHE 67 OK 26 100 - 26 - 1936=4, 1925/3.0=3...(13) HE2 LYS 85 - HB2 PHE 67 OK 21 100 - 21 - 1936=3, 1.8/1936=3...(9) HE3 LYS 85 - HB2 PHE 67 OK 19 92 - 20 - 1936=3, 1.8/1936=3...(8) HE2 LYS 48 - HB2 PHE 67 OK 19 100 - 18 - 1936=3, 1.8/1936=2...(8) HE3 LYS 48 - HB2 PHE 67 OK 18 98 - 18 - 1936=3, 1.8/1936=3...(9) HE2 LYS 93 - HB2 PHE 67 OK 13 100 - 13 - 1936=2, 1.8/1936=1...(5) HE3 LYS 93 - HB2 PHE 67 poor 9 77 - 11 - 1.8/1936=2, 1936=1 Peak 1937 from cnoeabs.peaks (6.82, 3.04, 38.31 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 67 + HB2 PHE 67 OK 100 100 - 100 - 2.6=100 HZ2 TRP 88 + HB2 PHE 67 OK 63 99 - 64 - 1945/1.8=13, 1926/3.0=11...(14) HE21 GLN 133 - HB2 PHE 67 OK 16 77 - 21 - 1926/3.0=4, 6668/4.4=4...(8) Peak 1940 from cnoeabs.peaks (7.07, 3.04, 38.31 ppm; 4.64 A): 3 out of 3 assignments used, quality = 1.00: * H MET 68 + HB2 PHE 67 OK 100 100 - 100 - 4.4=100 QE PHE 67 + HB2 PHE 67 OK 72 72 - 100 - 4.4=100 QD TYR 70 + HB2 PHE 67 OK 45 81 - 55 - ~1931=9, ~8492=9...(12) Peak 1941 from cnoeabs.peaks (7.29, 2.95, 38.31 ppm; 5.23 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 67 + HB3 PHE 67 OK 100 100 - 100 - 3.7=100 HZ2 TRP 17 + HB3 PHE 67 OK 50 96 - 52 - 5526/4.4=19, 1933/1.8=10...(8) QD TYR 115 - HB3 PHE 67 OK 36 62 - 59 - 1922/3.0=10, 2.5/3849=8...(16) QE PHE 106 - HB3 PHE 67 OK 16 89 - 18 - 2.2/5640=4, 1933/1.8=4...(6) Peak 1942 from cnoeabs.peaks (4.19, 2.95, 38.31 ppm; 5.78 A): 2 out of 3 assignments used, quality = 1.00: * HA PHE 67 + HB3 PHE 67 OK 100 100 - 100 - 3.0=100 HA PHE 43 + HB3 PHE 67 OK 46 99 - 47 - 1934/1.8=12, 5592/2.6=8...(9) HA CYS 121 - HB3 PHE 67 OK 27 92 - 29 - 1934/1.8=6, 6653/3.7=5...(7) Peak 1943 from cnoeabs.peaks (3.04, 2.95, 38.31 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 67 + HB3 PHE 67 OK 100 100 - 100 - 1.8=100 HB3 ASP 65 - HB3 PHE 67 OK 35 100 - 36 - 6654/3.7=7, 1924/3.0=7...(8) HB2 HIS 10 - HB3 PHE 67 lone 7 85 - 8 - 4.0/10841=3 HE2 LYS 34 - HB3 PHE 67 lone 6 72 - 8 - 6666/4.4=3, 6654/3.7=2 Peak 1944 from cnoeabs.peaks (2.95, 2.95, 38.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 67 + HB3 PHE 67 OK 100 100 - 100 Peak 1945 from cnoeabs.peaks (6.82, 2.95, 38.31 ppm; 5.23 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 67 + HB3 PHE 67 OK 100 100 - 100 - 2.6=100 HZ2 TRP 88 + HB3 PHE 67 OK 61 99 - 62 - 1937/1.8=15, 1926/3.0=12...(11) HE21 GLN 133 - HB3 PHE 67 OK 18 77 - 23 - 1926/3.0=4, 6668/4.4=4...(9) Peak 1948 from cnoeabs.peaks (7.07, 2.95, 38.31 ppm; 5.52 A): 3 out of 3 assignments used, quality = 1.00: * H MET 68 + HB3 PHE 67 OK 100 100 - 100 - 4.4=100 QE PHE 67 + HB3 PHE 67 OK 72 72 - 100 - 4.4=100 QD TYR 70 + HB3 PHE 67 OK 53 81 - 65 - ~1931=14, ~8492=13...(9) Peak 1949 from cnoeabs.peaks (7.07, 3.84, 55.33 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * H MET 68 + HA MET 68 OK 100 100 - 100 - 2.9=100 QD TYR 70 - HA MET 68 OK 43 81 - 53 - 5.0/1957=17...(13) QE PHE 67 - HA MET 68 OK 40 72 - 55 - ~6668=11, 1959/3.0=7...(13) H MET 68 - HA ALA 104 OK 18 63 - 29 - 6671=5, 4.4/1954=3...(14) QD TYR 70 - HA ALA 104 poor 5 44 - 12 - 8523/8506=3, 4.4/6702=3...(4) QE PHE 67 - HA ALA 104 lone 2 38 - 5 - Peak 1950 from cnoeabs.peaks (3.84, 3.84, 55.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 68 + HA MET 68 OK 100 100 - 100 HA ALA 104 + HA ALA 104 OK 62 62 - 100 Peak 1951 from cnoeabs.peaks (1.66, 3.84, 55.33 ppm; 3.27 A): 3 out of 26 assignments used, quality = 1.00: * HB2 MET 68 + HA MET 68 OK 100 100 - 100 - 3.0=100 HB VAL 71 + HA MET 68 OK 80 99 - 81 - 2.1/8439=27, 2.1/8438=24...(21) HG13 ILE 136 + HA MET 68 OK 46 92 - 50 - 2.3/8436=11, 2.1/8437=7...(24) HB2 LEU 95 - HA MET 68 OK 35 99 - 36 - 1958=4, 1985/3.7=3...(17) HB VAL 71 - HA ALA 104 OK 16 60 - 27 - 2.1/8506=6, 2085=4...(8) HG13 ILE 136 - HA ALA 104 OK 15 52 - 28 - 2.1/9666=5, 2.3/10328=4...(10) HG2 ARG 124 - HA MET 68 OK 14 100 - 14 - 4224/3.0=1 HG2 ARG 140 - HA MET 68 OK 14 94 - 14 - 1958=1, 2.9/1955=1, 11015/8436=1 HG2 ARG 89 - HA MET 68 OK 13 99 - 13 - 1958=2 HB2 MET 68 - HA ALA 104 OK 13 63 - 20 - 1960=3, 2.9/1954=2...(9) HD2 LYS 48 - HA MET 68 OK 12 99 - 12 - 1958=1, 1.8/1951=1 HB2 PRO 57 - HA MET 68 OK 11 77 - 14 - 2089/8439=2, 1958=2...(4) HD3 LYS 48 - HA MET 68 poor 9 81 - 11 - 1958=1, 1.8/1958=1 HD3 LYS 93 - HA MET 68 lone 6 81 - 8 - HB2 ARG 145 - HA MET 68 lone 6 94 - 6 - HG2 ARG 140 - HA ALA 104 lone 5 55 - 10 - 4732/2.8=2, ~4741=2 HB2 LEU 95 - HA ALA 104 lone 5 60 - 8 - ~10096=5, ~10117=1 HB2 LYS 114 - HA MET 68 lone 4 81 - 4 - HB2 ARG 145 - HA ALA 104 lone 3 55 - 5 - 4945/2.8=1 HG2 ARG 124 - HA ALA 104 lone 3 63 - 4 - HB2 PRO 57 - HA ALA 104 lone 2 41 - 5 - HG2 ARG 89 - HA ALA 104 lone 2 60 - 3 - HD2 LYS 48 - HA ALA 104 lone 1 60 - 2 - HD3 LYS 93 - HA ALA 104 lone 1 44 - 3 - HD3 LYS 48 - HA ALA 104 lone 1 44 - 2 - HB2 LYS 114 - HA ALA 104 lone 1 44 - 2 - Peak 1952 from cnoeabs.peaks (1.82, 3.84, 55.33 ppm; 3.68 A): 4 out of 12 assignments used, quality = 1.00: * HB3 MET 68 + HA MET 68 OK 100 100 - 100 - 3.0=100 HB2 ARG 141 + HA MET 68 OK 55 100 - 55 - 1952=7, 1972/3.7=7...(28) HB3 LEU 72 + HA MET 68 OK 46 62 - 73 - 3.4/9918=12, 3.2/2142=9...(35) HB VAL 80 + HA MET 68 OK 45 96 - 47 - 2.1/8747=6, 1962/3.0=5...(24) HD3 LYS 36 - HA MET 68 OK 43 100 - 43 - 1952=6, 3.6/673=4...(20) HB2 MET 11 - HA MET 68 OK 38 92 - 42 - 1952=5, 21/3.7=5...(21) HB3 LEU 72 - HA ALA 104 OK 17 32 - 54 - ~9197=7, ~10172=6...(19) HB VAL 80 - HA ALA 104 OK 16 57 - 29 - ~8760=13, 2.1/8747=5...(7) HB3 MET 68 - HA ALA 104 OK 15 63 - 24 - 1.8/1960=3, 2.9/1954=3...(11) HB2 ARG 141 - HA ALA 104 poor 8 63 - 12 - ~9204=3, ~9204=2...(4) HB2 MET 11 - HA ALA 104 lone 4 52 - 8 - ~9202=4 HD3 LYS 36 - HA ALA 104 lone 1 62 - 2 - Peak 1953 from cnoeabs.peaks (2.43, 3.84, 55.33 ppm; 4.24 A): 1 out of 20 assignments used, quality = 1.00: * HG2 MET 68 + HA MET 68 OK 100 100 - 100 - 3.7=100 HB3 PRO 33 - HA MET 68 OK 43 99 - 44 - 1980/3.7=10, 1963/3.0=7...(10) HG2 MET 11 - HA MET 68 OK 39 85 - 45 - 1953=6, 1963/3.0=6...(17) HB3 PRO 118 - HA MET 68 OK 35 77 - 46 - ~6663=5, 2.3/3969=5...(20) HG2 GLN 133 - HA MET 68 OK 30 89 - 34 - 1953=4, 1.8/1953=3...(16) HG3 GLN 133 - HA MET 68 OK 29 85 - 33 - 1953=4, 1.8/1953=4...(16) HG3 GLN 47 - HA MET 68 OK 24 98 - 24 - 1953=4, 1.8/1953=3...(11) HG2 GLN 47 - HA MET 68 OK 24 98 - 24 - 1953=4, 1.8/1953=3...(11) HG2 MET 68 - HA ALA 104 OK 17 63 - 27 - 1.8/1954=5, 3.3/1992=4...(9) QE MET 46 - HA MET 68 OK 10 72 - 14 - 1953=2, 10486/4.9=2, 6674/2.9=1 HG2 GLN 133 - HA ALA 104 poor 8 50 - 15 - 3.5/7703=2, 4.5/7684=1...(5) HG2 MET 11 - HA ALA 104 poor 7 47 - 16 - ~9202=7, ~9200=2...(4) HG3 GLU 131 - HA MET 68 lone 7 81 - 9 - 10396/1957=1, 8750/8747=1 HG2 GLN 47 - HA ALA 104 poor 7 59 - 12 - ~1110=2, ~1100=2, 1119/2.8=1 HG3 GLN 47 - HA ALA 104 poor 7 59 - 12 - ~1110=2, ~1100=2, 1119/2.8=1 HG3 GLN 133 - HA ALA 104 poor 7 47 - 15 - 3.5/7703=2, 4.5/7684=1...(5) HB3 PRO 118 - HA ALA 104 lone 4 41 - 9 - HB3 PRO 33 - HA ALA 104 lone 3 60 - 5 - QE MET 46 - HA ALA 104 lone 3 38 - 7 - 10684/2.8=1 HG3 GLU 131 - HA ALA 104 lone 2 44 - 6 - 10288=1 Peak 1954 from cnoeabs.peaks (2.54, 3.84, 55.33 ppm; 4.64 A): 1 out of 6 assignments used, quality = 1.00: * HG3 MET 68 + HA MET 68 OK 100 100 - 100 - 3.7=100 HG3 MET 68 - HA ALA 104 OK 21 63 - 34 - 1984=5, 3.3/1992=4...(11) HB2 ASP 13 - HA MET 68 OK 20 72 - 27 - 10952/2.9=10, ~10953=5...(7) HB2 ASP 16 - HA MET 68 lone 2 62 - 3 - HB2 ASP 13 - HA ALA 104 lone 2 38 - 6 - ~9205=3 HB2 ASP 16 - HA ALA 104 lone 0 32 - 1 - Peak 1955 from cnoeabs.peaks (1.91, 3.84, 55.33 ppm; 3.94 A): 3 out of 24 assignments used, quality = 0.99: * QE MET 68 + HA MET 68 OK 96 100 - 96 - 4.6=62, 1996/3.7=29...(25) HB ILE 136 + HA MET 68 OK 65 98 - 67 - 2.1/8436=16, 2.5/8437=10...(27) HB3 LEU 69 + HA MET 68 OK 48 100 - 49 - 6692/3.6=9, 1955=7...(17) HB ILE 101 - HA ALA 104 OK 39 57 - 68 - 10127/2.1=27...(13) HB ILE 101 - HA MET 68 OK 32 96 - 33 - 2.1/8436=8, 3.2/8436=5...(9) HB2 PRO 118 - HA MET 68 OK 28 68 - 42 - 1955=5, ~6663=4...(18) HB ILE 136 - HA ALA 104 OK 26 59 - 44 - 4602=7, 2.1/10328=6...(13) QE MET 68 - HA ALA 104 OK 20 63 - 32 - 9199/2.1=5, 1992=5...(13) HB3 ARG 89 - HA MET 68 OK 19 94 - 20 - 1955=2, 1965/3.0=2...(8) HB2 LYS 24 - HA MET 68 OK 18 94 - 19 - 1952=2, 1965/3.0=2...(7) HB3 LEU 69 - HA ALA 104 OK 15 62 - 24 - 9199/2.1=5, ~9203=3...(8) HG13 ILE 83 - HA MET 68 OK 14 94 - 14 - 1955=1, 6689/3.6=1, 1965/3.0=1 HB2 LYS 86 - HA MET 68 OK 12 89 - 13 - 1955=2, 6689/3.6=2...(5) HB3 ARG 140 - HA MET 68 OK 11 62 - 17 - 1.8/1955=2, ~1965=2...(4) HB2 LYS 24 - HA ALA 104 poor 10 55 - 18 - 10884/2.1=8, ~9199=2...(4) HB2 MET 59 - HA MET 68 poor 9 77 - 12 - 4.2/10402=4, 1955=1 HB3 GLN 111 - HA MET 68 lone 7 89 - 8 - 2002/4.9=1 HB2 MET 59 - HA ALA 104 poor 7 41 - 17 - 4.2/10402=8, 9199/2.1=4, ~9202=2 HG13 ILE 83 - HA ALA 104 lone 5 55 - 9 - ~9195=3, 9199/2.1=2 HB3 GLN 111 - HA ALA 104 lone 5 50 - 10 - ~9200=2, 9199/2.1=2...(4) HB3 ARG 140 - HA ALA 104 poor 4 32 - 14 - 9199/2.1=2, ~4713=2...(7) HB3 ARG 89 - HA ALA 104 lone 3 55 - 6 - 9199/2.1=2, 9025/9194=1 HB2 PRO 118 - HA ALA 104 lone 3 35 - 8 - HB2 LYS 86 - HA ALA 104 lone 2 50 - 3 - Peak 1956 from cnoeabs.peaks (8.63, 3.84, 55.33 ppm; 4.67 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 69 + HA MET 68 OK 100 100 - 100 - 3.6=100 H LEU 42 + HA MET 68 OK 59 98 - 60 - 1956=12, 6677/2.9=12...(12) H LEU 69 - HA ALA 104 OK 20 63 - 32 - 6684=5, ~9203=4...(12) H LEU 42 - HA ALA 104 lone 5 59 - 9 - 3.8/10157=1 Peak 1957 from cnoeabs.peaks (8.30, 3.84, 55.33 ppm; 4.01 A): 2 out of 8 assignments used, quality = 0.94: * H VAL 71 + HA MET 68 OK 92 100 - 92 - 1957=37, 3.9/8439=26...(22) H ASN 128 + HA MET 68 OK 27 92 - 30 - 7596=7, 3.9/8444=4...(10) H VAL 71 - HA ALA 104 OK 24 63 - 38 - 6719=6, 3.9/8506=5...(10) H LEU 64 - HA MET 68 OK 12 94 - 13 - 2098/8438=2, 2092/8439=2...(5) H LEU 64 - HA ALA 104 poor 8 55 - 15 - 3.6/3403=4, 5.2/9194=3 H ASN 128 - HA ALA 104 poor 7 52 - 14 - 7596=3, 4.7/4326=3...(4) H THR 18 - HA MET 68 lone 6 98 - 6 - H THR 18 - HA ALA 104 lone 2 59 - 3 - Peak 1958 from cnoeabs.peaks (1.67, 3.84, 55.33 ppm; 3.27 A): 2 out of 26 assignments used, quality = 1.00: HB2 MET 68 + HA MET 68 OK 99 99 - 100 - 3.0=100 * HB VAL 71 + HA MET 68 OK 81 100 - 81 - 2.1/8439=27, 2.1/8438=24...(21) HG13 ILE 136 - HA MET 68 OK 38 77 - 50 - 2.3/8436=11, 2.1/8437=7...(24) HB2 LEU 95 - HA MET 68 OK 36 100 - 36 - 1958=4, 1985/3.7=3...(17) HB VAL 71 - HA ALA 104 OK 17 63 - 27 - 2.1/8506=6, 2085=4...(8) HG2 ARG 124 - HA MET 68 OK 14 100 - 14 - 1958=1, 4224/3.0=1 HG2 ARG 89 - HA MET 68 OK 13 100 - 13 - 1958=2 HD2 LYS 48 - HA MET 68 OK 12 100 - 12 - 1958=1, 1.8/1951=1 HB2 MET 68 - HA ALA 104 OK 12 60 - 20 - 1960=3, 2.9/1954=2...(9) HG2 ARG 140 - HA MET 68 OK 11 81 - 14 - 1958=1, 2.9/1955=1 HG13 ILE 136 - HA ALA 104 OK 11 41 - 27 - 2.1/9666=5, 2.3/10328=4...(10) HD3 LYS 48 - HA MET 68 OK 11 94 - 11 - 1951=1, 1.8/1958=1 HB2 ARG 145 - HA MET 68 lone 6 100 - 6 - HB2 LEU 95 - HA ALA 104 lone 5 63 - 8 - ~10096=5, ~10117=1 HD3 LYS 93 - HA MET 68 lone 4 62 - 7 - HG2 ARG 140 - HA ALA 104 lone 4 44 - 9 - 4732/2.8=2, ~4741=2 HD2 LYS 93 - HA MET 68 lone 4 77 - 5 - HB2 ARG 145 - HA ALA 104 lone 3 61 - 5 - 4945/2.8=1 HG2 ARG 124 - HA ALA 104 lone 2 61 - 4 - HB2 LYS 114 - HA MET 68 lone 2 62 - 4 - HG2 ARG 89 - HA ALA 104 lone 2 63 - 3 - HD2 LYS 48 - HA ALA 104 lone 1 63 - 2 - HD3 LYS 48 - HA ALA 104 lone 1 55 - 2 - HD3 LYS 93 - HA ALA 104 lone 1 32 - 2 - HD2 LYS 93 - HA ALA 104 lone 1 41 - 2 - HB2 LYS 114 - HA ALA 104 lone 0 32 - 1 - Peak 1959 from cnoeabs.peaks (7.07, 1.66, 30.27 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * H MET 68 + HB2 MET 68 OK 100 100 - 100 - 3.6=100 QE PHE 67 - HB2 MET 68 OK 37 72 - 50 - ~8417=9, ~8415=8...(12) QD TYR 70 - HB2 MET 68 OK 24 81 - 29 - 1949/3.0=5, 5.0/6729=4...(8) Peak 1960 from cnoeabs.peaks (3.84, 1.66, 30.27 ppm; 3.66 A): 2 out of 7 assignments used, quality = 1.00: * HA MET 68 + HB2 MET 68 OK 100 100 - 100 - 3.0=100 HA LEU 72 + HB2 MET 68 OK 66 94 - 70 - 3.9/8430=8, 1984/2.9=7...(30) HD2 PRO 118 - HB2 MET 68 OK 30 72 - 42 - 1984/2.9=4, 1968/1.8=3...(21) HA ALA 104 - HB2 MET 68 OK 24 100 - 24 - 1954/2.9=3, 6671/3.6=2...(10) HA GLN 133 - HB2 MET 68 OK 22 89 - 25 - 9613=4, 1984/2.9=2...(9) HB2 SER 127 - HB2 MET 68 OK 22 100 - 22 - 10261/1.8=3, ~4326=2...(8) HB2 SER 100 - HB2 MET 68 lone 6 81 - 8 - 6680/4.4=1 Peak 1961 from cnoeabs.peaks (1.66, 1.66, 30.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 68 + HB2 MET 68 OK 100 100 - 100 Peak 1962 from cnoeabs.peaks (1.82, 1.66, 30.27 ppm; 2.83 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 68 + HB2 MET 68 OK 100 100 - 100 - 1.8=100 HB2 ARG 141 + HB2 MET 68 OK 46 100 - 46 - 1972/2.9=5, 1969=4...(25) HB3 LEU 72 - HB2 MET 68 OK 39 62 - 63 - 3.2/8430=6, ~9912=5...(45) HB VAL 80 - HB2 MET 68 OK 36 96 - 37 - 2.1/8430=6, ~2427=3...(22) HB2 MET 11 - HB2 MET 68 OK 32 92 - 35 - 21/2.9=3, 1986/2.9=3...(18) HD3 LYS 36 - HB2 MET 68 OK 23 100 - 23 - 1952/3.0=2, ~690=2...(12) Peak 1963 from cnoeabs.peaks (2.43, 1.66, 30.27 ppm; 3.94 A): 3 out of 10 assignments used, quality = 1.00: * HG2 MET 68 + HB2 MET 68 OK 100 100 - 100 - 2.9=100 HB3 PRO 33 + HB2 MET 68 OK 65 99 - 66 - 1980/2.9=11, 1971/1.8=6...(32) HG2 MET 11 + HB2 MET 68 OK 50 85 - 59 - 1987/2.9=6, ~37=6, ~37=5...(28) HB3 PRO 118 - HB2 MET 68 OK 38 77 - 50 - 3.0/1960=5, 1.8/1965=5...(32) HG2 GLN 133 - HB2 MET 68 OK 21 89 - 24 - 4.0/9613=3, 1953/3.0=2...(9) HG3 GLN 133 - HB2 MET 68 OK 20 85 - 24 - 4.0/9613=3, 1953/3.0=2...(9) HG2 GLN 47 - HB2 MET 68 OK 18 98 - 18 - 1953/3.0=2, 1971/1.8=2...(8) HG3 GLN 47 - HB2 MET 68 OK 18 98 - 18 - 1953/3.0=2, 1971/1.8=2...(8) QE MET 46 - HB2 MET 68 lone 7 72 - 9 - 1953/3.0=1 HG3 GLU 131 - HB2 MET 68 lone 5 81 - 7 - 9990/8430=1 Peak 1964 from cnoeabs.peaks (2.54, 1.66, 30.27 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 68 + HB2 MET 68 OK 100 100 - 100 - 2.9=100 HB2 ASP 13 - HB2 MET 68 OK 12 72 - 17 - 10952/3.6=6, 1954/3.0=3...(6) HB2 ASP 16 - HB2 MET 68 lone 2 62 - 3 - Peak 1965 from cnoeabs.peaks (1.91, 1.66, 30.27 ppm; 3.67 A): 2 out of 12 assignments used, quality = 0.97: * QE MET 68 + HB2 MET 68 OK 93 100 - 93 - 4.2=68, 1996/2.9=32...(12) HB ILE 136 + HB2 MET 68 OK 63 98 - 65 - ~8436=7, 1973/1.8=6...(37) HB3 LEU 69 - HB2 MET 68 OK 44 100 - 44 - 4.0/1966=14, 1989/2.9=5...(13) HB2 PRO 118 - HB2 MET 68 OK 28 68 - 41 - 3.0/1960=5, 1.8/1963=4...(23) HB ILE 101 - HB2 MET 68 OK 19 96 - 20 - ~8436=3, 9168/3.0=3...(8) HB3 ARG 89 - HB2 MET 68 OK 18 94 - 19 - 2870=2, 1.8/2862=2...(6) HB2 LYS 24 - HB2 MET 68 OK 15 94 - 16 - 1962=2, 1989/2.9=1...(7) HB3 ARG 140 - HB2 MET 68 OK 12 62 - 20 - 4.7/7836=2, 1.8/4717=1...(6) HG13 ILE 83 - HB2 MET 68 OK 10 94 - 11 - HB2 LYS 86 - HB2 MET 68 lone 7 89 - 8 - 1989/2.9=1, 6689/4.4=1 HB3 GLN 111 - HB2 MET 68 lone 5 89 - 6 - HB2 MET 59 - HB2 MET 68 lone 3 77 - 4 - Peak 1966 from cnoeabs.peaks (8.63, 1.66, 30.27 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 69 + HB2 MET 68 OK 94 100 - 94 - 4.4=80, 6677/3.6=23...(16) H LEU 42 + HB2 MET 68 OK 41 98 - 42 - 1990/2.9=9, 1974/1.8=8...(6) Peak 1967 from cnoeabs.peaks (7.07, 1.82, 30.27 ppm; 3.58 A): 1 out of 9 assignments used, quality = 0.99: * H MET 68 + HB3 MET 68 OK 99 100 - 99 - 3.6=99 QE PHE 67 - HB3 MET 68 OK 35 72 - 49 - ~8417=8, 1959/1.8=8...(11) H MET 68 - HB2 ARG 141 OK 25 97 - 26 - 1967=7, 4.4/1972=5...(7) QD TYR 70 - HB3 MET 68 OK 21 81 - 25 - 1959/1.8=5, 1949/3.0=5...(7) H MET 68 - HB VAL 80 OK 18 65 - 28 - 6673=5, 3.6/1962=4...(10) QD TYR 70 - HB VAL 80 OK 14 46 - 30 - ~8761=9, ~8761=5...(11) QD TYR 70 - HB2 ARG 141 lone 3 76 - 4 - QE PHE 67 - HB2 ARG 141 lone 2 67 - 4 - QE PHE 67 - HB VAL 80 lone 2 40 - 6 - ~4744=2 Peak 1968 from cnoeabs.peaks (3.84, 1.82, 30.27 ppm; 3.69 A): 4 out of 21 assignments used, quality = 1.00: * HA MET 68 + HB3 MET 68 OK 100 100 - 100 - 3.0=100 HA LEU 72 + HB3 MET 68 OK 67 94 - 71 - 1960/1.8=9, 1984/2.9=7...(32) HA MET 68 + HB2 ARG 141 OK 53 97 - 55 - 1952=7, 3.7/1972=7...(28) HB2 SER 127 + HB VAL 80 OK 49 65 - 75 - ~9951=19, ~9521=18...(10) HD2 PRO 118 - HB3 MET 68 OK 32 72 - 45 - 1960/1.8=5, 1984/2.9=4...(22) HA MET 68 - HB VAL 80 OK 31 65 - 48 - 1952=6, 8747/2.1=6...(23) HA ALA 104 - HB3 MET 68 OK 24 100 - 24 - 1960/1.8=3, 1954/2.9=3...(11) HB2 SER 127 - HB3 MET 68 OK 22 100 - 22 - 10361=3, 1960/1.8=3...(10) HA GLN 133 - HB3 MET 68 OK 19 89 - 22 - 9613/1.8=4, 1984/2.9=2...(7) HA ALA 104 - HB VAL 80 OK 19 65 - 29 - ~8760=13, 8747/2.1=5...(7) HA GLN 133 - HB VAL 80 OK 15 52 - 29 - ~9957=12, 9617/2.1=8...(4) HA ALA 104 - HB2 ARG 141 OK 12 97 - 12 - ~9204=3, ~9204=2...(4) HB2 SER 100 - HB VAL 80 OK 10 46 - 22 - ~8762=7, 9165/2.1=5...(7) HA LEU 72 - HB2 ARG 141 lone 8 90 - 9 - HB2 SER 100 - HB3 MET 68 lone 6 81 - 7 - 6680/4.4=1 HA LEU 72 - HB VAL 80 poor 6 57 - 10 - 8747/2.1=2 HD2 PRO 118 - HB VAL 80 poor 5 40 - 13 - ~8748=3, ~8746=2...(6) HB2 SER 127 - HB2 ARG 141 lone 4 97 - 4 - HD2 PRO 118 - HB2 ARG 141 lone 4 67 - 5 - HA GLN 133 - HB2 ARG 141 lone 2 84 - 3 - HB2 SER 100 - HB2 ARG 141 lone 1 76 - 1 - Peak 1969 from cnoeabs.peaks (1.66, 1.82, 30.27 ppm; 2.76 A): 3 out of 39 assignments used, quality = 1.00: * HB2 MET 68 + HB3 MET 68 OK 100 100 - 100 - 1.8=100 HB VAL 71 + HB3 MET 68 OK 63 99 - 64 - ~8439=7, ~8438=7...(27) HG2 ARG 140 + HB2 ARG 141 OK 48 90 - 53 - 4735/1.8=5, 4740/4.0=4...(27) HB2 MET 68 - HB2 ARG 141 OK 44 97 - 45 - 1962=8, 2.9/1972=4...(23) HG13 ILE 136 - HB3 MET 68 OK 38 92 - 42 - 2.1/8429=4, 2.9/1973=3...(23) HB2 LEU 95 - HB3 MET 68 OK 37 99 - 37 - 3.1/8429=4, ~10095=3...(22) HD2 LYS 48 - HB2 ARG 141 OK 28 95 - 29 - 3.0/701=2, 1199/2.8=2...(9) HB2 MET 68 - HB VAL 80 OK 25 65 - 38 - 8430/2.1=6, 1962=6...(21) HD3 LYS 48 - HB2 ARG 141 OK 18 76 - 24 - 3.0/701=2, 3.6/668=1...(4) HD3 LYS 93 - HB2 ARG 141 OK 18 76 - 24 - ~4791=2, ~3070=2...(7) HG2 ARG 124 - HB VAL 80 OK 13 65 - 20 - ~11073=3, ~10677=2...(9) HG2 ARG 124 - HB3 MET 68 OK 11 100 - 11 - HG2 ARG 140 - HB3 MET 68 poor 10 94 - 10 - HG2 ARG 89 - HB3 MET 68 lone 10 99 - 10 - HB VAL 71 - HB VAL 80 poor 9 63 - 15 - ~8755=3, ~8505=2...(7) HD2 LYS 48 - HB3 MET 68 lone 9 99 - 8 - HG2 ARG 89 - HB2 ARG 141 lone 7 95 - 8 - 7836/4.0=1 HG13 ILE 136 - HB VAL 80 poor 7 55 - 13 - ~4638=1 HD3 LYS 48 - HB3 MET 68 lone 7 81 - 8 - HG2 ARG 124 - HB2 ARG 141 lone 5 97 - 5 - HB2 PRO 57 - HB3 MET 68 lone 5 77 - 7 - HD3 LYS 93 - HB VAL 80 lone 4 46 - 9 - 1.8/3069=2, 3.0/3058=1 HD3 LYS 93 - HB3 MET 68 lone 4 81 - 5 - HB2 LEU 95 - HB VAL 80 lone 4 63 - 6 - HG13 ILE 136 - HB2 ARG 141 lone 4 87 - 4 - 7836/4.0=1 HG2 ARG 140 - HB VAL 80 lone 4 57 - 6 - 11574/2.1=2 HB VAL 71 - HB2 ARG 141 lone 3 95 - 3 - HB2 ARG 145 - HB3 MET 68 lone 3 94 - 3 - HB2 PRO 57 - HB VAL 80 lone 2 43 - 5 - HB2 LEU 95 - HB2 ARG 141 lone 2 95 - 2 - HB2 LYS 114 - HB3 MET 68 lone 2 81 - 2 - HB2 ARG 145 - HB2 ARG 141 lone 1 90 - 2 - HD2 LYS 48 - HB VAL 80 lone 1 63 - 2 - HB2 LYS 114 - HB VAL 80 lone 1 46 - 2 - 10199/4.7=1 HB2 LYS 114 - HB2 ARG 141 lone 1 76 - 1 - HD3 LYS 48 - HB VAL 80 lone 1 46 - 2 - HB2 PRO 57 - HB2 ARG 141 lone 1 72 - 1 - HG2 ARG 89 - HB VAL 80 lone 1 63 - 1 - HB2 ARG 145 - HB VAL 80 lone 1 57 - 1 - Peak 1970 from cnoeabs.peaks (1.82, 1.82, 30.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 MET 68 + HB3 MET 68 OK 100 100 - 100 HB2 ARG 141 + HB2 ARG 141 OK 97 97 - 100 HB VAL 80 + HB VAL 80 OK 59 59 - 100 Peak 1971 from cnoeabs.peaks (2.43, 1.82, 30.27 ppm; 3.59 A): 4 out of 30 assignments used, quality = 1.00: * HG2 MET 68 + HB3 MET 68 OK 100 100 - 100 - 2.9=100 HB3 PRO 33 + HB3 MET 68 OK 59 99 - 60 - 1980/2.9=10, 1963/1.8=7...(31) HG2 MET 68 + HB2 ARG 141 OK 52 97 - 54 - 1.8/1972=10, 2.9/1962=6...(27) HG2 MET 11 + HB3 MET 68 OK 46 85 - 54 - 1.8/37=7, 1963/1.8=6...(27) HB3 PRO 118 - HB3 MET 68 OK 34 77 - 44 - 1963/1.8=4, ~1960=3...(24) HG3 GLU 131 - HB VAL 80 OK 32 46 - 68 - 9990/2.1=15, 8750/2.1=14...(22) HG2 MET 68 - HB VAL 80 OK 29 65 - 44 - 8428/2.1=6, 1.8/1986=5...(21) HG2 GLN 133 - HB3 MET 68 OK 17 89 - 19 - 1963/1.8=2, 1953/3.0=2...(9) HG3 GLN 133 - HB3 MET 68 OK 16 85 - 19 - 1963/1.8=2, 1953/3.0=2...(9) HG3 GLN 47 - HB3 MET 68 OK 16 98 - 16 - 1963/1.8=2, 1953/3.0=2...(8) HG2 GLN 47 - HB3 MET 68 OK 16 98 - 16 - 1963/1.8=2, 1953/3.0=2...(8) HG2 MET 11 - HB2 ARG 141 lone 8 80 - 10 - 1.8/37=1 HG2 MET 11 - HB VAL 80 poor 7 49 - 14 - 1.8/37=2, 31=1, ~2427=1 HG3 GLU 131 - HB2 ARG 141 lone 6 76 - 8 - 4461/4.4=5 HB3 PRO 33 - HB VAL 80 lone 5 63 - 9 - HB3 PRO 118 - HB VAL 80 poor 5 43 - 12 - ~8748=2, ~9947=2...(6) HG3 GLU 131 - HB3 MET 68 lone 5 81 - 6 - HB3 PRO 33 - HB2 ARG 141 lone 5 95 - 5 - 1980/1972=1 QE MET 46 - HB3 MET 68 lone 5 72 - 6 - 1953/3.0=1 HG2 GLN 47 - HB2 ARG 141 lone 4 94 - 4 - HG3 GLN 47 - HB2 ARG 141 lone 4 94 - 4 - HB3 PRO 118 - HB2 ARG 141 lone 3 72 - 4 - HG2 GLN 133 - HB VAL 80 lone 3 52 - 5 - 8185/2.1=2, ~8185=1 HG3 GLN 133 - HB VAL 80 lone 3 49 - 5 - 8185/2.1=2, ~8185=1 HG2 GLN 133 - HB2 ARG 141 lone 2 84 - 2 - QE MET 46 - HB2 ARG 141 lone 2 67 - 3 - HG3 GLN 133 - HB2 ARG 141 lone 2 80 - 2 - HG3 GLN 47 - HB VAL 80 lone 1 61 - 2 - HG2 GLN 47 - HB VAL 80 lone 1 61 - 2 - QE MET 46 - HB VAL 80 lone 1 40 - 2 - 10493/2.1=1 Peak 1972 from cnoeabs.peaks (2.54, 1.82, 30.27 ppm; 4.00 A): 2 out of 9 assignments used, quality = 1.00: * HG3 MET 68 + HB3 MET 68 OK 100 100 - 100 - 2.9=100 HG3 MET 68 + HB2 ARG 141 OK 59 97 - 61 - 1986=8, 2.9/1962=7...(28) HG3 MET 68 - HB VAL 80 OK 33 65 - 51 - 1986=6, 2.9/1962=5...(21) HB2 ASP 13 - HB3 MET 68 OK 15 72 - 20 - 10952/3.6=7, 1964/1.8=4...(6) HB2 ASP 16 - HB3 MET 68 lone 2 62 - 3 - HB2 ASP 13 - HB2 ARG 141 lone 2 67 - 3 - HB2 ASP 13 - HB VAL 80 lone 1 40 - 2 - HB2 ASP 16 - HB VAL 80 lone 1 34 - 2 - HB2 ASP 16 - HB2 ARG 141 lone 0 58 - 1 - Peak 1973 from cnoeabs.peaks (1.91, 1.82, 30.27 ppm; 2.50 A): 7 out of 36 assignments used, quality = 0.88: * QE MET 68 + HB3 MET 68 OK 56 100 - 56 - 1994=22, 1996/2.9=15...(8) HB ILE 136 + HB3 MET 68 OK 32 98 - 33 - 2.5/8429=3, 1965/1.8=3...(15) HB3 ARG 140 + HB2 ARG 141 OK 22 58 - 38 - 4.7/7841=4, ~4716=2...(17) HB3 LEU 69 + HB3 MET 68 OK 17 100 - 17 - 4.0/6686=4, 1965/1.8=2...(7) HG13 ILE 83 + HB VAL 80 OK 16 57 - 29 - ~9984=4, ~9946=3...(15) QE MET 68 + HB2 ARG 141 OK 15 97 - 16 - 1994=5, 3.3/1972=3...(5) HB2 PRO 118 + HB3 MET 68 OK 12 68 - 18 - 1965/1.8=2, 1989/2.9=1...(7) QE MET 68 - HB VAL 80 poor 8 65 - 13 - 1994=4, 8419/4.7=2...(5) HB2 LYS 24 - HB2 ARG 141 lone 8 90 - 9 - 4788/1.8=1 HB ILE 101 - HB3 MET 68 lone 8 96 - 8 - ~8436=1, 1965/1.8=1, 1955/3.0=1 HB3 ARG 89 - HB3 MET 68 lone 6 94 - 7 - HB2 LYS 24 - HB3 MET 68 lone 6 94 - 6 - HB ILE 136 - HB VAL 80 lone 6 61 - 9 - 4606/2.1=1 HB3 ARG 89 - HB2 ARG 141 lone 6 90 - 6 - HB2 LYS 24 - HB VAL 80 lone 5 57 - 9 - ~8760=1, 2427/2.1=1 HB3 ARG 140 - HB3 MET 68 lone 5 62 - 8 - 4.7/7841=1 HB3 LEU 69 - HB VAL 80 lone 3 65 - 5 - 8470/2.1=1 HG13 ILE 83 - HB3 MET 68 lone 3 94 - 4 - HB ILE 101 - HB VAL 80 lone 3 59 - 5 - HB2 LYS 86 - HB3 MET 68 lone 3 89 - 3 - HB ILE 136 - HB2 ARG 141 lone 3 94 - 3 - HB3 LEU 69 - HB2 ARG 141 lone 2 97 - 2 - HB ILE 101 - HB2 ARG 141 lone 2 92 - 2 - HB3 GLN 111 - HB3 MET 68 lone 2 89 - 2 - HB3 GLN 111 - HB2 ARG 141 lone 1 84 - 2 - HB3 ARG 140 - HB VAL 80 lone 1 34 - 4 - HB2 PRO 118 - HB2 ARG 141 lone 1 63 - 2 - HB2 PRO 118 - HB VAL 80 lone 1 37 - 4 - HB2 MET 59 - HB3 MET 68 lone 1 77 - 2 - HG13 ILE 83 - HB2 ARG 141 lone 1 90 - 1 - HB3 ARG 89 - HB VAL 80 lone 1 57 - 1 - HB2 LYS 86 - HB VAL 80 lone 1 52 - 1 - HB2 LYS 86 - HB2 ARG 141 lone 1 84 - 1 - HB3 GLN 111 - HB VAL 80 lone 0 52 - 1 - HB2 MET 59 - HB VAL 80 lone 0 43 - 1 - HB2 MET 59 - HB2 ARG 141 lone 0 72 - 0 - Peak 1974 from cnoeabs.peaks (8.63, 1.82, 30.27 ppm; 4.21 A): 1 out of 6 assignments used, quality = 0.97: * H LEU 69 + HB3 MET 68 OK 97 100 - 97 - 4.4=89, 1966/1.8=28...(10) H LEU 42 - HB3 MET 68 OK 43 98 - 44 - 1966/1.8=12, 1990/2.9=9...(6) H LEU 69 - HB2 ARG 141 OK 23 97 - 23 - 6686=5, 4.4/1962=5...(6) H LEU 69 - HB VAL 80 OK 18 65 - 27 - 6686=5, 4.4/1962=4...(8) H LEU 42 - HB2 ARG 141 lone 5 94 - 5 - 1990/1972=1 H LEU 42 - HB VAL 80 lone 4 61 - 7 - 6304/3.0=3 Peak 1975 from cnoeabs.peaks (7.07, 2.43, 31.81 ppm; 3.79 A): 2 out of 6 assignments used, quality = 0.96: * H MET 68 + HG2 MET 68 OK 92 100 - 92 - 4.4=65, 1983/1.8=32...(16) QE PHE 67 + HG2 MET 68 OK 46 72 - 64 - 2.2/8417=18, ~8415=11...(14) H MET 68 - HB3 PRO 33 OK 28 84 - 33 - 1975=8, 4.4/1980=6...(9) QD TYR 70 - HG2 MET 68 OK 19 81 - 24 - 1991/3.3=5, 1983/1.8=5...(5) QE PHE 67 - HB3 PRO 33 poor 8 54 - 15 - 10804/4.3=6, 2.2/8417=3 QD TYR 70 - HB3 PRO 33 lone 2 62 - 4 - Peak 1976 from cnoeabs.peaks (3.84, 2.43, 31.81 ppm; 3.89 A): 2 out of 14 assignments used, quality = 1.00: * HA MET 68 + HG2 MET 68 OK 100 100 - 100 - 3.7=100 HA LEU 72 + HG2 MET 68 OK 65 94 - 69 - 1984/1.8=10, 3.9/9952=9...(24) HD2 PRO 118 - HB3 PRO 33 OK 44 54 - 81 - ~480=7, ~472=7, ~3975=6...(46) HA MET 68 - HB3 PRO 33 OK 31 84 - 37 - 3.7/1980=8, 3.0/1963=6...(10) HD2 PRO 118 - HG2 MET 68 OK 29 72 - 40 - 1984/1.8=6, 1960/2.9=5...(16) HA ALA 104 - HG2 MET 68 OK 22 100 - 22 - 1954/1.8=4, 1992/3.3=3...(9) HA GLN 133 - HG2 MET 68 OK 21 89 - 24 - 1984/1.8=3, 9613/2.9=3...(9) HB2 SER 127 - HG2 MET 68 OK 19 100 - 19 - 10361/2.9=4, 1984/1.8=3...(5) HA LEU 72 - HB3 PRO 33 poor 8 75 - 10 - 1984/1980=1, 3.8/9944=1 HB2 SER 100 - HG2 MET 68 lone 4 81 - 5 - HA GLN 133 - HB3 PRO 33 lone 4 69 - 6 - HA ALA 104 - HB3 PRO 33 lone 3 84 - 4 - HB2 SER 127 - HB3 PRO 33 lone 2 84 - 3 - HB2 SER 100 - HB3 PRO 33 lone 1 62 - 1 - Peak 1977 from cnoeabs.peaks (1.66, 2.43, 31.81 ppm; 3.45 A): 5 out of 26 assignments used, quality = 1.00: * HB2 MET 68 + HG2 MET 68 OK 100 100 - 100 - 2.9=100 HB VAL 71 + HG2 MET 68 OK 83 99 - 84 - ~8435=12, ~8426=12...(27) HB2 LEU 95 + HG2 MET 68 OK 56 99 - 57 - 3.0/10942=11...(24) HG13 ILE 136 + HG2 MET 68 OK 48 92 - 52 - 2.1/8428=7, ~8427=6...(25) HB2 MET 68 + HB3 PRO 33 OK 47 84 - 56 - 2.9/1980=9, 1963=8...(29) HB2 PRO 57 - HB3 PRO 33 OK 42 58 - 73 - 11514/2.3=8, 1513/2.3=7...(31) HG2 ARG 124 - HG2 MET 68 OK 15 100 - 15 - 1985/1.8=1, 4224/2.9=1 HG2 ARG 89 - HG2 MET 68 OK 14 99 - 14 - 1985/1.8=1 HG2 ARG 140 - HG2 MET 68 OK 13 94 - 14 - 1985/1.8=1 HD2 LYS 48 - HG2 MET 68 OK 12 99 - 12 - 1985/1.8=1 HB VAL 71 - HB3 PRO 33 poor 10 81 - 12 - 2.1/9913=2, 2.1/8433=2...(4) HD3 LYS 48 - HG2 MET 68 poor 9 81 - 11 - HB2 PRO 57 - HG2 MET 68 poor 9 77 - 11 - HD3 LYS 93 - HG2 MET 68 lone 6 81 - 8 - HG13 ILE 136 - HB3 PRO 33 lone 5 72 - 6 - ~9667=1 HG2 ARG 124 - HB3 PRO 33 lone 4 84 - 5 - HB2 LEU 95 - HB3 PRO 33 lone 4 81 - 5 - 3.0/10942=1, 3.1/9076=1 HB2 ARG 145 - HG2 MET 68 lone 3 94 - 4 - HB2 LYS 114 - HG2 MET 68 lone 3 81 - 4 - HB2 LYS 114 - HB3 PRO 33 lone 2 62 - 4 - HG2 ARG 140 - HB3 PRO 33 lone 2 75 - 2 - HD3 LYS 93 - HB3 PRO 33 lone 1 62 - 2 - HD2 LYS 48 - HB3 PRO 33 lone 1 81 - 2 - HG2 ARG 89 - HB3 PRO 33 lone 1 81 - 1 - HD3 LYS 48 - HB3 PRO 33 lone 1 62 - 2 - HB2 ARG 145 - HB3 PRO 33 lone 1 75 - 1 - Peak 1978 from cnoeabs.peaks (1.82, 2.43, 31.81 ppm; 3.01 A): 1 out of 12 assignments used, quality = 1.00: * HB3 MET 68 + HG2 MET 68 OK 100 100 - 100 - 2.9=100 HB3 LEU 72 - HG2 MET 68 OK 42 62 - 68 - ~9912=9, ~9945=7...(36) HB2 ARG 141 - HG2 MET 68 OK 39 100 - 39 - 1972/1.8=7, 1962/2.9=4...(19) HB3 MET 68 - HB3 PRO 33 OK 38 84 - 45 - 2.9/1980=7, 1.8/1963=5...(24) HB2 MET 11 - HG2 MET 68 OK 37 92 - 40 - 21=5, 1.8/27=5...(19) HB2 MET 11 - HB3 PRO 33 OK 34 72 - 47 - 21=6, 1.8/27=6, 3.0/39=5...(26) HB VAL 80 - HG2 MET 68 OK 30 96 - 32 - 2.1/8428=4, 1986/1.8=4...(15) HD3 LYS 36 - HB3 PRO 33 OK 25 84 - 29 - 719/2.3=4, 719/2.3=4...(12) HD3 LYS 36 - HG2 MET 68 OK 19 100 - 19 - 1986/1.8=2, 1962/2.9=2...(6) HB VAL 80 - HB3 PRO 33 lone 4 78 - 6 - HB2 ARG 141 - HB3 PRO 33 lone 3 84 - 3 - HB3 LEU 72 - HB3 PRO 33 lone 2 46 - 5 - Peak 1979 from cnoeabs.peaks (2.43, 2.43, 31.81 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 68 + HG2 MET 68 OK 100 100 - 100 HB3 PRO 33 + HB3 PRO 33 OK 81 81 - 100 Peak 1980 from cnoeabs.peaks (2.54, 2.43, 31.81 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG3 MET 68 + HG2 MET 68 OK 100 100 - 100 - 1.8=100 HG3 MET 68 - HB3 PRO 33 OK 35 84 - 42 - 1987=10, 2.9/1963=2...(21) HB2 ASP 13 - HG2 MET 68 lone 4 72 - 6 - 1964/2.9=1, 6675/4.4=1 HB2 ASP 13 - HB3 PRO 33 lone 1 54 - 2 - HB2 ASP 16 - HB3 PRO 33 lone 1 46 - 2 - HB2 ASP 16 - HG2 MET 68 lone 1 62 - 1 - Peak 1981 from cnoeabs.peaks (1.91, 2.43, 31.81 ppm; 3.31 A): 2 out of 24 assignments used, quality = 1.00: * QE MET 68 + HG2 MET 68 OK 100 100 - 100 - 3.3=100 HB ILE 136 + HG2 MET 68 OK 50 98 - 51 - 1989/1.8=6, 2.5/8428=6...(22) HB3 LEU 69 - HG2 MET 68 OK 39 100 - 39 - 1989/1.8=5, 4.0/1982=5...(17) QE MET 68 - HB3 PRO 33 OK 39 84 - 46 - 1995=9, 3.3/1980=7...(23) HB2 PRO 118 - HB3 PRO 33 OK 33 50 - 65 - ~3975=4, ~3975=3...(45) HB2 LYS 24 - HB3 PRO 33 OK 28 75 - 37 - 3.0/10894=5, 10877/3.0=5...(21) HB2 PRO 118 - HG2 MET 68 OK 22 68 - 33 - 1989/1.8=3, 1965/2.9=3...(16) HB ILE 101 - HB3 PRO 33 OK 20 78 - 25 - ~9792=4, 10534/1.8=4...(12) HB2 LYS 24 - HG2 MET 68 OK 12 94 - 13 - 1989/1.8=2, 3.0/10894=1...(4) HB ILE 101 - HG2 MET 68 OK 12 96 - 12 - 9168/3.7=2, 1965/2.9=2...(5) HB3 ARG 89 - HG2 MET 68 OK 11 94 - 12 - 1989/1.8=1, 1965/2.9=1 HB2 LYS 86 - HG2 MET 68 OK 10 89 - 11 - 1989/1.8=2 HG13 ILE 83 - HG2 MET 68 lone 8 94 - 9 - 1989/1.8=1 HB3 ARG 140 - HG2 MET 68 poor 7 62 - 12 - ~1989=1, ~1965=1 HB ILE 136 - HB3 PRO 33 lone 5 80 - 6 - ~9667=1 HB3 LEU 69 - HB3 PRO 33 lone 5 84 - 6 - 4.0/1982=2 HB3 GLN 111 - HB3 PRO 33 lone 4 69 - 6 - HB2 MET 59 - HG2 MET 68 lone 4 77 - 5 - HG13 ILE 83 - HB3 PRO 33 lone 3 75 - 4 - 2537/4.3=2 HB3 GLN 111 - HG2 MET 68 lone 3 89 - 4 - HB2 LYS 86 - HB3 PRO 33 lone 2 69 - 3 - HB3 ARG 89 - HB3 PRO 33 lone 1 75 - 1 - HB3 ARG 140 - HB3 PRO 33 lone 1 46 - 2 - HB2 MET 59 - HB3 PRO 33 lone 1 58 - 1 - Peak 1982 from cnoeabs.peaks (8.63, 2.43, 31.81 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 69 + HG2 MET 68 OK 88 100 - 88 - 1966/2.9=30, 1990/1.8=29...(19) H LEU 42 + HG2 MET 68 OK 56 98 - 57 - 1990/1.8=16, 1998/3.3=14...(6) H LEU 69 - HB3 PRO 33 OK 29 84 - 35 - 4.4/1963=8, 4.3/1975=7...(8) H LEU 42 - HB3 PRO 33 lone 7 80 - 9 - 1990/1980=2, 1998/1995=1 Peak 1983 from cnoeabs.peaks (7.07, 2.54, 31.81 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.98: * H MET 68 + HG3 MET 68 OK 96 100 - 96 - 4.4=78, 1991/3.3=25...(18) QE PHE 67 + HG3 MET 68 OK 50 72 - 69 - 2.2/8415=16, ~8417=15...(14) QD TYR 70 - HG3 MET 68 OK 26 81 - 32 - 8523/8435=8, 1991/3.3=6...(7) Peak 1984 from cnoeabs.peaks (3.84, 2.54, 31.81 ppm; 3.76 A): 2 out of 7 assignments used, quality = 1.00: * HA MET 68 + HG3 MET 68 OK 100 100 - 100 - 3.7=100 HA LEU 72 + HG3 MET 68 OK 69 94 - 73 - 3.8/9912=22, 1992/3.3=8...(28) HD2 PRO 118 - HG3 MET 68 OK 30 72 - 42 - 1960/2.9=4, 1992/3.3=3...(16) HA ALA 104 - HG3 MET 68 OK 25 100 - 25 - 1954=4, 1992/3.3=3...(10) HA GLN 133 - HG3 MET 68 OK 24 89 - 27 - 9613/2.9=3, 1992/3.3=3...(13) HB2 SER 127 - HG3 MET 68 OK 19 100 - 19 - 10361/2.9=3, 1960/2.9=2...(7) HB2 SER 100 - HG3 MET 68 lone 5 81 - 6 - Peak 1985 from cnoeabs.peaks (1.66, 2.54, 31.81 ppm; 3.34 A): 4 out of 13 assignments used, quality = 1.00: * HB2 MET 68 + HG3 MET 68 OK 100 100 - 100 - 2.9=100 HB VAL 71 + HG3 MET 68 OK 78 99 - 79 - 2.1/8435=13, ~8426=11...(26) HB2 LEU 95 + HG3 MET 68 OK 52 99 - 53 - 3.1/10095=8, ~10942=7...(23) HG13 ILE 136 + HG3 MET 68 OK 49 92 - 53 - 2.1/8427=10, 2.9/1989=4...(26) HG2 ARG 124 - HG3 MET 68 OK 13 100 - 13 - 4224/2.9=1, 1977/1.8=1 HG2 ARG 89 - HG3 MET 68 OK 13 99 - 13 - 2.8/1989=1 HG2 ARG 140 - HG3 MET 68 OK 12 94 - 13 - 2.9/1989=1 HD2 LYS 48 - HG3 MET 68 OK 11 99 - 10 - HB2 PRO 57 - HG3 MET 68 poor 9 77 - 12 - 2089/8435=1 HD3 LYS 48 - HG3 MET 68 lone 8 81 - 9 - HD3 LYS 93 - HG3 MET 68 lone 6 81 - 7 - HB2 ARG 145 - HG3 MET 68 lone 3 94 - 4 - HB2 LYS 114 - HG3 MET 68 lone 3 81 - 4 - Peak 1986 from cnoeabs.peaks (1.82, 2.54, 31.81 ppm; 3.30 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 68 + HG3 MET 68 OK 100 100 - 100 - 2.9=100 HB2 ARG 141 + HG3 MET 68 OK 48 100 - 48 - 1972=10, 1962/2.9=5...(22) HB3 LEU 72 + HG3 MET 68 OK 47 62 - 75 - 3.1/9912=20, 3.2/8427=8...(42) HB2 MET 11 - HG3 MET 68 OK 43 92 - 47 - 21/1.8=6, 3.0/1987=4...(24) HB VAL 80 - HG3 MET 68 OK 36 96 - 37 - 1972=4, 1962/2.9=4...(19) HD3 LYS 36 - HG3 MET 68 OK 23 100 - 23 - 1962/2.9=3, 1952/3.7=2...(12) Peak 1987 from cnoeabs.peaks (2.43, 2.54, 31.81 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG2 MET 68 + HG3 MET 68 OK 100 100 - 100 - 1.8=100 HB3 PRO 33 - HG3 MET 68 OK 43 99 - 43 - 1980=12, 1963/2.9=2...(21) HG2 MET 11 - HG3 MET 68 OK 26 85 - 30 - 1980=5, ~39=2, ~39=2...(14) HB3 PRO 118 - HG3 MET 68 OK 15 77 - 19 - 3.0/1984=2, 1.8/1989=2...(4) HG2 GLN 133 - HG3 MET 68 lone 8 89 - 8 - HG3 GLN 133 - HG3 MET 68 lone 7 85 - 8 - HG2 GLN 47 - HG3 MET 68 lone 6 98 - 6 - HG3 GLN 47 - HG3 MET 68 lone 6 98 - 6 - QE MET 46 - HG3 MET 68 lone 2 72 - 3 - HG3 GLU 131 - HG3 MET 68 lone 1 81 - 2 - Peak 1988 from cnoeabs.peaks (2.54, 2.54, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 68 + HG3 MET 68 OK 100 100 - 100 Peak 1989 from cnoeabs.peaks (1.91, 2.54, 31.81 ppm; 3.57 A): 3 out of 12 assignments used, quality = 1.00: * QE MET 68 + HG3 MET 68 OK 100 100 - 100 - 3.3=100 HB ILE 136 + HG3 MET 68 OK 57 98 - 58 - 2.5/8427=10, 1965/2.9=5...(29) HB3 LEU 69 + HG3 MET 68 OK 48 100 - 48 - 4.0/1990=9, 3.2/9914=5...(24) HB2 PRO 118 - HG3 MET 68 OK 26 68 - 39 - 3.0/1984=4, 1.8/1987=3...(21) HB2 LYS 24 - HG3 MET 68 OK 16 94 - 17 - 1986=2, 1994/3.3=1...(7) HB ILE 101 - HG3 MET 68 OK 14 96 - 14 - 9168/3.7=2, 1965/2.9=2...(5) HB3 ARG 89 - HG3 MET 68 OK 14 94 - 14 - 1965/2.9=2, 2.8/1985=1 HB2 LYS 86 - HG3 MET 68 OK 11 89 - 12 - 1981/1.8=1 HG13 ILE 83 - HG3 MET 68 OK 10 94 - 11 - HB3 ARG 140 - HG3 MET 68 poor 9 62 - 14 - ~1965=1, 1965/2.9=1, 2.9/1985=1 HB2 MET 59 - HG3 MET 68 lone 5 77 - 6 - HB3 GLN 111 - HG3 MET 68 lone 4 89 - 4 - Peak 1990 from cnoeabs.peaks (8.63, 2.54, 31.81 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 69 + HG3 MET 68 OK 93 100 - 93 - 4.3/1983=35, 6688=33...(22) H LEU 42 + HG3 MET 68 OK 56 98 - 57 - 1998/3.3=14, 1966/2.9=14...(9) Peak 1991 from cnoeabs.peaks (7.07, 1.91, 15.10 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.90: * H MET 68 + QE MET 68 OK 78 100 - 78 - 1991=26, 1983/3.3=18...(16) QE PHE 67 + QE MET 68 OK 39 72 - 54 - 2.2/8414=17, 4.4/8450=8...(14) QD TYR 70 + QE MET 68 OK 26 81 - 32 - 8523/8426=11, 5.0/8455=8...(9) Peak 1992 from cnoeabs.peaks (3.84, 1.91, 15.10 ppm; 3.12 A): 2 out of 7 assignments used, quality = 0.92: * HA MET 68 + QE MET 68 OK 83 100 - 83 - 4.6=31, 3.7/1996=19...(22) HA LEU 72 + QE MET 68 OK 55 94 - 58 - 2.9/8454=15, 3.8/8424=9...(18) HA ALA 104 - QE MET 68 OK 20 100 - 20 - 2.1/9199=4, 8506/8426=2...(6) HA GLN 133 - QE MET 68 OK 19 89 - 22 - 4528=3, 1984/3.3=2...(7) HB2 SER 127 - QE MET 68 OK 16 100 - 16 - 8506/8426=2, 10361/4.2=2...(5) HD2 PRO 118 - QE MET 68 OK 16 72 - 22 - 1984/3.3=3, 1960/4.2=2...(6) HB2 SER 100 - QE MET 68 lone 4 81 - 5 - Peak 1993 from cnoeabs.peaks (1.66, 1.91, 15.10 ppm; 2.72 A): 4 out of 13 assignments used, quality = 0.93: * HB2 MET 68 + QE MET 68 OK 68 100 - 68 - 4.2=28, 2.9/1996=18...(12) HB VAL 71 + QE MET 68 OK 62 99 - 63 - 2.1/8426=21, 2.1/8425=17...(15) HG13 ILE 136 + QE MET 68 OK 28 92 - 31 - 2.1/8424=8, 4629=3...(11) HB2 LEU 95 + QE MET 68 OK 20 99 - 21 - 3.0/8420=4, ~10942=3...(8) HG2 ARG 89 - QE MET 68 lone 7 99 - 7 - HG2 ARG 124 - QE MET 68 lone 6 100 - 6 - HG2 ARG 140 - QE MET 68 lone 6 94 - 6 - HB2 PRO 57 - QE MET 68 lone 6 77 - 7 - 2089/8426=2 HD2 LYS 48 - QE MET 68 lone 5 99 - 5 - HD3 LYS 48 - QE MET 68 lone 4 81 - 5 - HD3 LYS 93 - QE MET 68 lone 3 81 - 4 - HB2 ARG 145 - QE MET 68 lone 2 94 - 3 - HB2 LYS 114 - QE MET 68 lone 2 81 - 2 - Peak 1994 from cnoeabs.peaks (1.82, 1.91, 15.10 ppm; 2.52 A): 5 out of 6 assignments used, quality = 0.79: * HB3 MET 68 + QE MET 68 OK 57 100 - 57 - 4.2=22, 2.9/1996=15...(8) HB3 LEU 72 + QE MET 68 OK 27 62 - 43 - 3.4/8454=8, 3.1/8424=7...(14) HB2 ARG 141 + QE MET 68 OK 14 100 - 14 - 1973=4, 1972/3.3=3...(5) HB2 MET 11 + QE MET 68 OK 14 92 - 15 - 21/3.3=2, 1986/3.3=2...(5) HB VAL 80 + QE MET 68 OK 10 96 - 11 - 1973=2, 4.7/8419=2...(5) HD3 LYS 36 - QE MET 68 lone 6 100 - 6 - Peak 1995 from cnoeabs.peaks (2.43, 1.91, 15.10 ppm; 3.17 A): 1 out of 10 assignments used, quality = 0.96: * HG2 MET 68 + QE MET 68 OK 96 100 - 96 - 3.3=87, 1.8/1996=34...(16) HB3 PRO 33 - QE MET 68 OK 41 99 - 42 - 1980/3.3=7, 1981=5...(22) HG2 MET 11 - QE MET 68 OK 24 85 - 28 - 1987/3.3=4, 3.0/1994=3...(12) HB3 PRO 118 - QE MET 68 OK 18 77 - 23 - 3.0/1992=3, 2.3/8420=3...(7) HG2 GLN 133 - QE MET 68 OK 13 89 - 14 - 3.5/8414=2, 4.0/1992=2...(6) HG3 GLN 133 - QE MET 68 OK 12 85 - 14 - 3.5/8414=2, 4.0/1992=2...(4) HG2 GLN 47 - QE MET 68 OK 11 98 - 11 - 3.6/10675=2, 1.8/10426=1 HG3 GLN 47 - QE MET 68 OK 11 98 - 11 - 3.6/10675=2, 1.8/10426=1 QE MET 46 - QE MET 68 lone 4 72 - 5 - HG3 GLU 131 - QE MET 68 lone 3 81 - 3 - Peak 1996 from cnoeabs.peaks (2.54, 1.91, 15.10 ppm; 3.01 A): 1 out of 3 assignments used, quality = 0.89: * HG3 MET 68 + QE MET 68 OK 89 100 - 89 - 3.3=75, 1.8/1995=13...(15) HB2 ASP 13 - QE MET 68 lone 5 72 - 7 - 10952/5.9=2, 1964/4.2=1 HB2 ASP 16 - QE MET 68 lone 1 62 - 1 - Peak 1997 from cnoeabs.peaks (1.91, 1.91, 15.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 68 + QE MET 68 OK 100 100 - 100 Peak 1998 from cnoeabs.peaks (8.63, 1.91, 15.10 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.90: * H LEU 69 + QE MET 68 OK 82 100 - 82 - 4.3/1991=22, 1966/4.2=17...(20) H LEU 42 + QE MET 68 OK 42 98 - 43 - 1990/3.3=9, 1966/4.2=7...(10) Peak 1999 from cnoeabs.peaks (8.63, 4.00, 58.18 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 - 100 - 2.9=100 H LEU 42 + HA LEU 69 OK 47 98 - 48 - 2011/3.0=8, 2044/3.9=8...(12) H LEU 69 - HA GLU 122 OK 31 97 - 32 - 6690=7, 4.0/2006=3...(18) H LEU 42 - HA GLU 122 lone 4 93 - 4 - Peak 2000 from cnoeabs.peaks (4.00, 4.00, 58.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 HA GLU 122 + HA GLU 122 OK 97 97 - 100 Peak 2001 from cnoeabs.peaks (1.38, 4.00, 58.18 ppm; 3.52 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 - HA LEU 69 OK 36 94 - 38 - 3.0/2009=4, 2705/3.0=3...(23) HG LEU 132 - HA LEU 69 OK 33 96 - 34 - 2.1/10419=4, 6691/2.9=3...(17) HG LEU 132 - HA GLU 122 OK 31 91 - 34 - ~11037=9, ~11034=5...(9) HB2 ARG 109 - HA LEU 69 OK 29 100 - 29 - 11115/3.0=5, ~11118=4...(13) HB3 LEU 39 - HA LEU 69 OK 27 94 - 29 - 4.3/2007=3, 6691/2.9=3...(12) HB2 LEU 69 - HA GLU 122 OK 25 97 - 26 - 4.0/1999=3, 2012=3...(12) HG2 ARG 49 - HA GLU 122 OK 21 96 - 22 - ~4064=3, ~4072=3...(12) HG2 ARG 49 - HA LEU 69 OK 19 100 - 19 - 6691/2.9=2, 2022/3.0=2...(8) HB VAL 82 - HA LEU 69 OK 15 77 - 19 - 2046/3.9=1, 2038/4.1=1...(11) HB VAL 82 - HA GLU 122 lone 6 71 - 8 - 2479/3.0=1, ~2485=1...(5) HG2 LYS 86 - HA GLU 122 lone 3 89 - 3 - HB3 LEU 39 - HA GLU 122 lone 3 89 - 3 - HB2 ARG 109 - HA GLU 122 lone 2 96 - 2 - Peak 2002 from cnoeabs.peaks (1.90, 4.00, 58.18 ppm; 3.26 A): 2 out of 24 assignments used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.0=100 QE MET 68 + HA LEU 69 OK 51 100 - 51 - 1998/2.9=12, 1992/4.9=5...(19) HB ILE 136 - HA LEU 69 OK 30 94 - 32 - 2.5/8468=5, 2.1/10963=4...(13) HB2 LYS 86 - HA LEU 69 OK 26 81 - 32 - 3.5/2009=3, 2685/3.0=3...(15) HB ILE 101 - HA LEU 69 OK 22 99 - 22 - 2.1/10963=3, 3.2/9179=3...(8) HB3 LEU 69 - HA GLU 122 OK 21 97 - 22 - 4.0/1999=3, 1.8/2001=2...(7) HB2 LYS 24 - HA LEU 69 OK 14 98 - 15 - 1.8/2009=2, 2009=1...(4) HB3 ARG 89 - HA LEU 69 OK 14 98 - 15 - 2039/4.1=2, 2031/3.7=2...(5) HB3 GLN 111 - HA LEU 69 OK 14 94 - 14 - 2047/3.9=2, 2039/4.1=2...(5) HG13 ILE 83 - HA LEU 69 OK 11 89 - 12 - 6706/3.6=2, 2014/3.0=1 HB ILE 136 - HA GLU 122 lone 8 89 - 9 - 2.1/10963=1, 2.5/8468=1 HB3 LYS 93 - HA LEU 69 lone 7 68 - 10 - 4.1/9038=2 HB3 ARG 140 - HA LEU 69 lone 6 72 - 8 - HB2 MET 59 - HA LEU 69 lone 5 68 - 8 - 4.2/10401=2 HB ILE 101 - HA GLU 122 lone 5 95 - 5 - 3.2/9179=1 QE MET 68 - HA GLU 122 lone 5 97 - 5 - HB3 LYS 93 - HA GLU 122 lone 4 62 - 6 - 4.1/9038=1 HB3 ARG 89 - HA GLU 122 lone 4 93 - 4 - HB3 GLN 111 - HA GLU 122 lone 3 89 - 4 - HB2 LYS 24 - HA GLU 122 lone 2 93 - 2 - HG13 ILE 83 - HA GLU 122 lone 2 83 - 2 - HB2 LYS 86 - HA GLU 122 lone 2 76 - 2 - HB3 ARG 140 - HA GLU 122 lone 1 67 - 2 - HB2 MET 59 - HA GLU 122 lone 1 62 - 2 - Peak 2003 from cnoeabs.peaks (1.86, 4.00, 58.18 ppm; 3.69 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.7=99, 2.1/2005=17...(15) HB3 LYS 76 + HA LEU 69 OK 45 100 - 45 - 2040/4.1=6, 2048/3.9=6...(13) HB3 LYS 85 - HA LEU 69 OK 17 100 - 17 - 2015/3.0=2, 2024/3.0=2...(8) HG LEU 69 - HA GLU 122 OK 17 97 - 17 - 2.1/2005=4, 2.1/2037=3...(5) HB3 LYS 76 - HA GLU 122 OK 12 97 - 13 - 3.0/4059=1, 3.0/2004=1...(4) HB3 LYS 85 - HA GLU 122 OK 12 97 - 12 - ~9460=4, 3.0/4059=1 HB2 LYS 48 - HA LEU 69 OK 11 89 - 13 - 6693/2.9=2, 2015/3.0=2...(6) HB3 GLU 28 - HA LEU 69 OK 11 100 - 11 - 2015/3.0=2, 2024/3.0=2...(6) HB2 LYS 36 - HA LEU 69 poor 10 72 - 13 - 6693/2.9=2, 1.8/4061=1...(7) HB3 LYS 48 - HA LEU 69 poor 7 62 - 11 - 2015/3.0=1, ~2015=1 HB2 ARG 144 - HA LEU 69 lone 4 77 - 5 - HB2 LYS 36 - HA GLU 122 lone 3 67 - 4 - HB2 LYS 48 - HA GLU 122 lone 2 83 - 2 - HB3 GLU 28 - HA GLU 122 lone 1 96 - 1 - HB3 LYS 48 - HA GLU 122 lone 1 57 - 2 - HB2 ARG 144 - HA GLU 122 lone 1 71 - 1 - Peak 2004 from cnoeabs.peaks (1.17, 4.00, 58.18 ppm; 3.19 A): 3 out of 10 assignments used, quality = 0.95: * QD1 LEU 69 + HA LEU 69 OK 82 100 - 82 - 4.1=46, 9923/3.6=13...(15) HB2 LEU 72 + HA LEU 69 OK 56 100 - 56 - 3.4/2007=9, 1.8/2009=8...(19) HG2 LYS 76 + HA LEU 69 OK 38 100 - 38 - 2049/3.9=5, 2016/3.0=5...(12) QD1 LEU 69 - HA GLU 122 OK 17 97 - 18 - 2037=4, 2.1/2005=3...(6) QG2 THR 92 - HA LEU 69 OK 14 77 - 18 - 4.4/9038=2, 11578/4.9=2...(7) HG2 LYS 76 - HA GLU 122 OK 11 97 - 11 - 1.8/4059=2, 9882/3.0=1 HB2 LEU 72 - HA GLU 122 lone 9 97 - 9 - 3.4/2007=2, 1.8/2009=1 QD1 LEU 26 - HA LEU 69 lone 6 72 - 8 - 6708/3.6=1 QD1 LEU 26 - HA GLU 122 lone 5 67 - 7 - QG2 THR 92 - HA GLU 122 lone 4 71 - 6 - 4.4/9038=1 Peak 2005 from cnoeabs.peaks (1.01, 4.00, 58.18 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.99: * QD2 LEU 69 + HA LEU 69 OK 96 100 - 96 - 3.9=85, 6695/2.9=18...(15) QD2 LEU 116 + HA LEU 69 OK 68 100 - 68 - 6709/3.6=13, 6695/2.9=12...(14) QD2 LEU 69 - HA GLU 122 OK 20 97 - 21 - 2.1/2037=4, 2045=3...(7) QD2 LEU 116 - HA GLU 122 lone 7 97 - 7 - Peak 2006 from cnoeabs.peaks (7.49, 4.00, 58.18 ppm; 4.99 A): 1 out of 10 assignments used, quality = 1.00: * H TYR 70 + HA LEU 69 OK 100 100 - 100 - 3.6=100 HE ARG 49 - HA GLU 122 OK 41 95 - 44 - ~4064=7, ~4072=7...(13) H TYR 70 - HA GLU 122 OK 29 97 - 30 - 6704=6, 4.0/1999=6...(9) HD1 TRP 88 - HA LEU 69 OK 26 94 - 27 - 9887/3.9=6, 6696/2.9=5...(8) HE ARG 49 - HA LEU 69 OK 25 99 - 25 - 6696/2.9=4, 9879/3.0=4...(11) HE21 GLN 47 - HA LEU 69 OK 16 99 - 16 - 2052/4.9=4, 9879/3.0=3...(6) HE22 GLN 25 - HA LEU 69 poor 9 85 - 11 - 11697/2007=3, 6696/2.9=1 HD1 TRP 88 - HA GLU 122 lone 6 89 - 7 - ~8918=2, 11573/9921=1 HE22 GLN 25 - HA GLU 122 lone 4 80 - 6 - ~10246=1 HE21 GLN 47 - HA GLU 122 lone 4 95 - 4 - 8182/3.0=1 Peak 2007 from cnoeabs.peaks (8.57, 4.00, 58.18 ppm; 4.46 A): 4 out of 6 assignments used, quality = 0.93: * H LEU 72 + HA LEU 69 OK 83 100 - 83 - 2007=29, 6716/3.6=14...(22) H ASP 40 + HA LEU 69 OK 38 98 - 39 - 6287/2.9=14, 6716/3.6=9...(10) H LEU 72 + HA GLU 122 OK 18 97 - 18 - 2007=6, 3.0/6753=2...(6) H LYS 85 + HA LEU 69 OK 15 94 - 16 - 6716/3.6=4, 6960/3.7=2 H LYS 85 - HA GLU 122 lone 7 89 - 7 - ~6920=2, 3.9/2003=1 H ASP 40 - HA GLU 122 lone 5 93 - 5 - Peak 2008 from cnoeabs.peaks (1.17, 4.00, 58.18 ppm; 3.19 A): 3 out of 10 assignments used, quality = 0.95: QD1 LEU 69 + HA LEU 69 OK 82 100 - 82 - 4.1=46, 9923/3.6=13...(15) * HB2 LEU 72 + HA LEU 69 OK 56 100 - 56 - 3.4/2007=9, 1.8/2009=8...(19) HG2 LYS 76 + HA LEU 69 OK 38 100 - 38 - 2049/3.9=5, 2016/3.0=5...(12) QD1 LEU 69 - HA GLU 122 OK 17 97 - 18 - 2037=4, 2.1/2005=3...(6) QG2 THR 92 - HA LEU 69 OK 14 77 - 18 - 4.4/9038=2, 11578/4.9=2...(7) HG2 LYS 76 - HA GLU 122 OK 11 97 - 11 - 1.8/4059=2, 9882/3.0=1 HB2 LEU 72 - HA GLU 122 lone 9 97 - 9 - 3.4/2007=2, 1.8/2009=1 QD1 LEU 26 - HA LEU 69 lone 6 72 - 8 - 6708/3.6=1 QD1 LEU 26 - HA GLU 122 lone 5 67 - 7 - QG2 THR 92 - HA GLU 122 lone 4 71 - 6 - 4.4/9038=1 Peak 2009 from cnoeabs.peaks (1.81, 4.00, 58.18 ppm; 3.66 A): 6 out of 18 assignments used, quality = 0.90: * HB3 LEU 72 + HA LEU 69 OK 62 100 - 62 - 3.4/2007=13, 1.8/2008=10...(20) HB3 MET 68 + HA LEU 69 OK 34 62 - 54 - ~1966=11, 6686/2.9=8...(19) HD3 LYS 86 + HA LEU 69 OK 33 92 - 36 - 2740/3.0=4, 2738/3.0=3...(19) HB VAL 80 + HA LEU 69 OK 17 89 - 19 - 2.1/10963=6, 4.7/9920=2...(6) HB VAL 80 + HA GLU 122 OK 15 83 - 18 - 2.1/10963=6, ~8753=4...(6) HB3 LYS 24 + HA LEU 69 OK 14 81 - 17 - 2002=3, 1.8/2002=2...(6) HB3 LEU 72 - HA GLU 122 lone 9 97 - 9 - 3.4/2007=3, 1.8/2008=2 HB2 ARG 124 - HA LEU 69 lone 6 94 - 7 - HB2 MET 11 - HA LEU 69 lone 6 94 - 6 - 1952/4.9=1, 6686/2.9=1 HB2 MET 11 - HA GLU 122 lone 5 89 - 5 - HD3 LYS 36 - HA LEU 69 lone 5 72 - 7 - 1952/4.9=1, 6686/2.9=1 HB2 ARG 141 - HA LEU 69 lone 3 62 - 5 - 6686/2.9=2, 1952/4.9=2 HB3 MET 68 - HA GLU 122 lone 3 57 - 5 - 4.4/1999=3 HD3 LYS 86 - HA GLU 122 lone 3 86 - 3 - ~9460=1 HD3 LYS 36 - HA GLU 122 lone 2 67 - 3 - HB3 LYS 24 - HA GLU 122 lone 2 76 - 2 - HB2 ARG 124 - HA GLU 122 lone 2 89 - 2 - HB2 ARG 141 - HA GLU 122 lone 1 57 - 1 - Peak 2010 from cnoeabs.peaks (3.82, 1.38, 41.39 ppm; 5.43 A): 3 out of 6 assignments used, quality = 0.95: * HA LEU 66 + HB2 LEU 69 OK 79 100 - 79 - 1879/4.0=26, 8393/4.6=22...(14) HB2 SER 100 + HB2 LEU 69 OK 63 94 - 67 - 8465/3.2=19, 8462/3.2=14...(18) HA GLN 133 + HB2 LEU 69 OK 37 89 - 42 - 10311=7, 2.8/7681=6...(12) HD2 PRO 118 - HB2 LEU 69 OK 37 98 - 38 - 6680/4.0=6, 8462/3.2=6...(10) HA THR 110 - HB2 LEU 69 OK 33 81 - 40 - 8465/3.2=11, 8462/3.2=10...(9) HA3 GLY 50 - HB2 LEU 69 OK 28 100 - 28 - 8465/3.2=8, 2.9/6476=6...(6) Peak 2011 from cnoeabs.peaks (8.63, 1.38, 41.39 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 4.0=100 H LEU 42 + HB2 LEU 69 OK 48 98 - 49 - 2044/3.2=12, 2020/1.8=11...(9) Peak 2012 from cnoeabs.peaks (4.00, 1.38, 41.39 ppm; 4.64 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.0=100 HA GLU 122 - HB2 LEU 69 OK 41 100 - 41 - 1999/4.0=5, 2006/4.6=4...(17) HA MET 113 - HB2 LEU 69 OK 38 100 - 38 - ~9315=6, 2037/3.2=6...(14) HB3 SER 100 - HB2 LEU 69 OK 34 68 - 51 - ~8465=11, ~8462=8...(17) HB2 SER 138 - HB2 LEU 69 OK 33 100 - 33 - 2037/3.2=4, 2021/1.8=3...(17) HB3 SER 138 - HB2 LEU 69 OK 33 100 - 33 - 2037/3.2=3, 2021/1.8=3...(17) HA LYS 114 - HB2 LEU 69 OK 22 100 - 22 - 2045/3.2=3, 3.0/6466=3...(8) HB3 SER 127 - HB2 LEU 69 OK 21 85 - 25 - 6690/4.0=3, ~4322=3...(11) HB2 SER 103 - HB2 LEU 69 lone 5 68 - 7 - 10154/1.8=1 Peak 2013 from cnoeabs.peaks (1.38, 1.38, 41.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 Peak 2014 from cnoeabs.peaks (1.90, 1.38, 41.39 ppm; 4.09 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 1.8=100 QE MET 68 + HB2 LEU 69 OK 51 100 - 51 - 1998/4.0=16, 8423/3.2=8...(17) HB2 LYS 86 + HB2 LEU 69 OK 50 81 - 62 - 1.8/2696=7, 2.9/2718=6...(33) HB ILE 136 - HB2 LEU 69 OK 42 94 - 45 - 2039/3.2=4, 2031/3.0=4...(20) HB ILE 101 - HB2 LEU 69 OK 37 99 - 37 - 2039/3.2=3, 2031/3.0=3...(22) HB3 ARG 89 - HB2 LEU 69 OK 29 98 - 29 - 2039/3.2=4, 2047/3.2=3...(16) HB3 GLN 111 - HB2 LEU 69 OK 25 94 - 26 - 2047/3.2=4, 2039/3.2=3...(13) HG13 ILE 83 - HB2 LEU 69 OK 23 89 - 26 - 3.2/10660=3, 2.1/10025=3...(9) HB2 LYS 24 - HB2 LEU 69 OK 21 98 - 21 - 10881/1.8=2, 2009/3.0=2...(12) HB3 ARG 140 - HB2 LEU 69 OK 13 72 - 18 - ~9929=2, 2039/3.2=2...(6) HB3 LYS 93 - HB2 LEU 69 OK 12 68 - 18 - ~9933=2, 2039/3.2=2...(4) HB2 MET 59 - HB2 LEU 69 poor 8 68 - 12 - ~1611=2, 2039/3.2=1...(4) Peak 2015 from cnoeabs.peaks (1.86, 1.38, 41.39 ppm; 4.35 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HB2 LEU 69 OK 78 100 - 78 - 2040/3.2=10, 2024/1.8=10...(35) HB3 LYS 85 - HB2 LEU 69 OK 31 100 - 31 - 2024/1.8=4, 2040/3.2=4...(12) HB3 GLU 28 - HB2 LEU 69 OK 28 100 - 28 - 2024/1.8=4, 2048/3.2=3...(14) HB2 LYS 48 - HB2 LEU 69 OK 20 89 - 22 - 2024/1.8=3, 2040/3.2=2...(8) HB2 LYS 36 - HB2 LEU 69 OK 16 72 - 22 - ~9892=4, 3.0/660=3...(8) HB3 LYS 48 - HB2 LEU 69 OK 14 62 - 21 - ~2024=2, 2024/1.8=2...(12) HB2 ARG 144 - HB2 LEU 69 lone 7 77 - 9 - 2040/3.2=1 Peak 2016 from cnoeabs.peaks (1.17, 1.38, 41.39 ppm; 4.27 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.2=100 HB2 LEU 72 + HB2 LEU 69 OK 85 100 - 85 - ~2007=10, 2008/3.0=10...(37) HG2 LYS 76 + HB2 LEU 69 OK 80 100 - 80 - 2049/3.2=10, 2033/3.0=9...(37) QG2 THR 92 - HB2 LEU 69 OK 17 77 - 22 - 9025/1.8=3, 2004/3.0=2...(9) QD1 LEU 26 - HB2 LEU 69 OK 11 72 - 15 - 6708/4.6=2, 2025/1.8=1...(4) Peak 2017 from cnoeabs.peaks (1.01, 1.38, 41.39 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.2=100 QD2 LEU 116 + HB2 LEU 69 OK 79 100 - 79 - 2026/1.8=14, 2042/3.2=13...(26) Peak 2019 from cnoeabs.peaks (3.82, 1.90, 41.39 ppm; 6.27 A): 2 out of 6 assignments used, quality = 0.97: * HA LEU 66 + HB3 LEU 69 OK 88 100 - 89 - 1879/4.0=31, 8393/4.6=30...(19) HB2 SER 100 + HB3 LEU 69 OK 70 94 - 75 - 8465/3.2=21, 8462/3.2=16...(19) HD2 PRO 118 - HB3 LEU 69 OK 44 98 - 45 - 6680/4.0=7, 8465/3.2=7...(10) HA GLN 133 - HB3 LEU 69 OK 43 89 - 48 - 10311/1.8=7, 6680/4.0=6...(14) HA THR 110 - HB3 LEU 69 OK 38 81 - 47 - 8465/3.2=12, 8462/3.2=11...(11) HA3 GLY 50 - HB3 LEU 69 OK 32 100 - 32 - 8465/3.2=9, 8462/3.2=6...(7) Peak 2020 from cnoeabs.peaks (8.63, 1.90, 41.39 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 4.0=100 H LEU 42 + HB3 LEU 69 OK 60 98 - 61 - 2011/1.8=15, 2044/3.2=15...(10) Peak 2021 from cnoeabs.peaks (4.00, 1.90, 41.39 ppm; 5.36 A): 2 out of 9 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.0=100 HA GLU 122 + HB3 LEU 69 OK 51 100 - 50 - 1999/4.0=7, 2006/4.6=6...(17) HA MET 113 - HB3 LEU 69 OK 45 100 - 45 - ~9315=9, 2045/3.2=7...(13) HB2 SER 138 - HB3 LEU 69 OK 43 100 - 43 - 2012/1.8=5, 2045/3.2=4...(18) HB3 SER 138 - HB3 LEU 69 OK 43 100 - 42 - 2012/1.8=5, 2045/3.2=4...(18) HB3 SER 100 - HB3 LEU 69 OK 42 68 - 63 - ~8465=14, ~8462=10...(18) HB3 SER 127 - HB3 LEU 69 OK 29 85 - 33 - 1.8/2019=4, ~2010=3...(12) HA LYS 114 - HB3 LEU 69 OK 28 100 - 28 - 2045/3.2=3, 2012/1.8=3...(14) HB2 SER 103 - HB3 LEU 69 lone 7 68 - 10 - 10154=2, 2037/3.2=1 Peak 2022 from cnoeabs.peaks (1.38, 1.90, 41.39 ppm; 4.49 A): 4 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 1.8=100 HG2 LYS 86 + HB3 LEU 69 OK 64 94 - 68 - ~2718=6, ~2718=6...(32) HB2 ARG 109 + HB3 LEU 69 OK 58 100 - 59 - 11115=12, 1.8/11118=11...(19) HG LEU 132 + HB3 LEU 69 OK 55 96 - 58 - ~8474=10, 2038/3.2=6...(19) HB3 LEU 39 - HB3 LEU 69 OK 41 94 - 43 - 2038/3.2=4, 2046/3.2=4...(18) HG2 ARG 49 - HB3 LEU 69 OK 35 100 - 35 - 3.9/9879=3, 2038/3.2=3...(17) HB VAL 82 - HB3 LEU 69 OK 29 77 - 37 - ~8800=4, ~2493=3...(18) Peak 2023 from cnoeabs.peaks (1.90, 1.90, 41.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HB3 LEU 69 OK 100 100 - 100 Peak 2024 from cnoeabs.peaks (1.86, 1.90, 41.39 ppm; 4.46 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HB3 LEU 69 OK 78 100 - 79 - 2040/3.2=11, 2015/1.8=11...(33) HB3 LYS 85 - HB3 LEU 69 OK 30 100 - 30 - 2015/1.8=4, 2040/3.2=4...(12) HB3 GLU 28 - HB3 LEU 69 OK 29 100 - 29 - 2015/1.8=4, 2048/3.2=3...(14) HB2 LYS 48 - HB3 LEU 69 OK 20 89 - 22 - 2015/1.8=3, 2040/3.2=2...(7) HB2 LYS 36 - HB3 LEU 69 OK 17 72 - 23 - ~9892=5, ~660=2...(9) HB3 LYS 48 - HB3 LEU 69 OK 13 62 - 21 - ~2015=2, 2015/1.8=2...(11) HB2 ARG 144 - HB3 LEU 69 lone 7 77 - 8 - 2040/3.2=1 Peak 2025 from cnoeabs.peaks (1.17, 1.90, 41.39 ppm; 4.87 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.2=100 HB2 LEU 72 + HB3 LEU 69 OK 92 100 - 92 - 2016/1.8=13, ~2007=13...(37) HG2 LYS 76 + HB3 LEU 69 OK 87 100 - 88 - 2016/1.8=12, 2049/3.2=11...(38) QG2 THR 92 - HB3 LEU 69 OK 28 77 - 36 - 3.9/9014=4, 9025=3...(14) QD1 LEU 26 - HB3 LEU 69 OK 14 72 - 19 - 6708/4.6=2, 2016/1.8=2...(8) Peak 2026 from cnoeabs.peaks (1.01, 1.90, 41.39 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.2=100 QD2 LEU 116 + HB3 LEU 69 OK 88 100 - 89 - 2017/1.8=20, 2042/3.2=16...(29) Peak 2029 from cnoeabs.peaks (4.00, 1.86, 26.80 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.7=100 HA MET 113 + HG LEU 69 OK 56 100 - 57 - ~9315=16, 9319/8472=11...(12) HB2 SER 138 + HG LEU 69 OK 48 100 - 48 - 2021/3.0=5, 2012/3.0=5...(17) HB3 SER 138 + HG LEU 69 OK 48 100 - 48 - 2021/3.0=5, 2012/3.0=5...(16) HB3 SER 100 + HG LEU 69 OK 47 68 - 70 - ~8465=21, ~8462=16...(13) HA GLU 122 - HG LEU 69 OK 36 100 - 36 - 1999/4.6=8, 2012/3.0=6...(7) HA LYS 114 - HG LEU 69 OK 25 100 - 25 - 2045/2.1=4, 2021/3.0=3...(8) HB3 SER 127 - HG LEU 69 OK 24 85 - 28 - ~2019=5, ~2010=5...(7) HB2 SER 103 - HG LEU 69 lone 6 68 - 8 - 10154/3.0=2, 2037/2.1=1 Peak 2030 from cnoeabs.peaks (1.38, 1.86, 26.80 ppm; 5.01 A): 4 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 + HG LEU 69 OK 60 94 - 64 - 2046/2.1=7, 2038/2.1=6...(24) HB2 ARG 109 + HG LEU 69 OK 56 100 - 56 - 11115/3.0=11, ~10176=10...(17) HG LEU 132 + HG LEU 69 OK 56 96 - 58 - ~8474=16, 2038/2.1=7...(16) HB3 LEU 39 - HG LEU 69 OK 42 94 - 44 - ~8461=6, 2038/2.1=5...(18) HG2 ARG 49 - HG LEU 69 OK 32 100 - 32 - 2022/3.0=3, 2046/2.1=3...(15) HB VAL 82 - HG LEU 69 OK 32 77 - 42 - ~8800=7, 3.0/2477=4...(19) Peak 2031 from cnoeabs.peaks (1.90, 1.86, 26.80 ppm; 3.36 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.0=100 QE MET 68 - HG LEU 69 OK 33 100 - 33 - 1998/4.6=9, 8423/2.1=6...(10) HB2 LYS 86 - HG LEU 69 OK 29 81 - 36 - 2685/3.0=3, 2047/2.1=3...(24) HB ILE 136 - HG LEU 69 OK 29 94 - 31 - 2039/2.1=4, 2047/2.1=3...(14) HB ILE 101 - HG LEU 69 OK 19 99 - 19 - 2039/2.1=3, 2047/2.1=3...(8) HB3 ARG 89 - HG LEU 69 OK 18 98 - 19 - 2039/2.1=3, 2047/2.1=3...(7) HB3 GLN 111 - HG LEU 69 OK 15 94 - 16 - 2047/2.1=3, 2039/2.1=3...(5) HB2 LYS 24 - HG LEU 69 OK 12 98 - 12 - 2039/2.1=1, 2047/2.1=1...(4) HG13 ILE 83 - HG LEU 69 poor 10 89 - 11 - 2039/2.1=1, 2047/2.1=1 HB3 ARG 140 - HG LEU 69 poor 9 72 - 12 - 2039/2.1=2, ~9929=2...(5) HB3 LYS 93 - HG LEU 69 poor 8 68 - 12 - ~9933=2, 2039/2.1=2, 2047/2.1=1 HB2 MET 59 - HG LEU 69 lone 4 68 - 6 - 2039/2.1=1 Peak 2032 from cnoeabs.peaks (1.86, 1.86, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 69 + HG LEU 69 OK 100 100 - 100 Peak 2033 from cnoeabs.peaks (1.17, 1.86, 26.80 ppm; 4.28 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.1=100 HG2 LYS 76 + HG LEU 69 OK 85 100 - 85 - 2049/2.1=12, 2276=11...(36) HB2 LEU 72 + HG LEU 69 OK 81 100 - 81 - 2049/2.1=11, 2016/3.0=9...(29) QG2 THR 92 - HG LEU 69 OK 17 77 - 21 - 9025/3.0=2, ~3003=2...(8) QD1 LEU 26 - HG LEU 69 poor 9 72 - 12 - 2049/2.1=2, 2016/3.0=1...(5) Peak 2034 from cnoeabs.peaks (1.01, 1.86, 26.80 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.1=100 QD2 LEU 116 + HG LEU 69 OK 83 100 - 83 - 2042/2.1=17, 2017/3.0=13...(23) Peak 2036 from cnoeabs.peaks (8.63, 1.17, 23.77 ppm; 3.88 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 69 + QD1 LEU 69 OK 92 100 - 92 - 4.7=57, 6695/2.1=23...(18) H LEU 42 + QD1 LEU 69 OK 47 98 - 48 - 2044/2.1=12, 2011/3.2=8...(11) Peak 2037 from cnoeabs.peaks (4.00, 1.17, 23.77 ppm; 3.15 A): 7 out of 9 assignments used, quality = 0.94: * HA LEU 69 + QD1 LEU 69 OK 81 100 - 81 - 4.1=44, 3.6/9923=13...(15) HA MET 113 + QD1 LEU 69 OK 27 100 - 27 - 4.9/11536=6, 9309/8457=4...(9) HB3 SER 100 + QD1 LEU 69 OK 18 68 - 27 - 1.8/8465=9, ~8462=4...(11) HA GLU 122 + QD1 LEU 69 OK 17 100 - 17 - 2004=3, 2005/2.1=3...(6) HB2 SER 138 + QD1 LEU 69 OK 16 100 - 16 - 2045/2.1=2, 2012/3.2=1...(4) HB3 SER 138 + QD1 LEU 69 OK 16 100 - 15 - 2045/2.1=2, 2012/3.2=1...(4) HA LYS 114 + QD1 LEU 69 OK 11 100 - 11 - 2045/2.1=2, 8975/9894=1 HB3 SER 127 - QD1 LEU 69 lone 7 85 - 9 - HB2 SER 103 - QD1 LEU 69 lone 3 68 - 4 - 4.6/9884=2 Peak 2038 from cnoeabs.peaks (1.38, 1.17, 23.77 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 3.2=100 HG LEU 132 - QD1 LEU 69 OK 34 96 - 35 - 2.1/8474=13, 2046/2.1=4...(13) HG2 LYS 86 - QD1 LEU 69 OK 30 94 - 32 - 2046/2.1=4, 2705/3.2=3...(18) HB2 ARG 109 - QD1 LEU 69 OK 28 100 - 28 - 11115/3.2=4, 2046/2.1=4...(12) HB3 LEU 39 - QD1 LEU 69 OK 23 94 - 25 - 3.0/8461=3, 2046/2.1=3...(9) HB VAL 82 - QD1 LEU 69 OK 18 77 - 23 - 2.1/8800=5, 2046/2.1=2...(7) HG2 ARG 49 - QD1 LEU 69 OK 17 100 - 17 - 2046/2.1=2, 2022/3.2=1...(4) Peak 2039 from cnoeabs.peaks (1.90, 1.17, 23.77 ppm; 3.30 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 3.2=100 QE MET 68 - QD1 LEU 69 OK 44 100 - 44 - 1998/4.7=8, 8423=6...(17) HB ILE 136 - QD1 LEU 69 OK 38 94 - 40 - 2.5/8473=5, 3.0/9928=5...(14) HB2 LYS 86 - QD1 LEU 69 OK 28 81 - 34 - 2031/2.1=3, 2.9/2038=3...(15) HB3 ARG 89 - QD1 LEU 69 OK 26 98 - 26 - 3.0/8947=5, 2.8/9893=4...(7) HB ILE 101 - QD1 LEU 69 OK 23 99 - 24 - 2047/2.1=3, 2031/2.1=3...(6) HB3 GLN 111 - QD1 LEU 69 OK 22 94 - 23 - 4.6/9875=7, 2047/2.1=3...(5) HB2 LYS 24 - QD1 LEU 69 OK 15 98 - 15 - 2031/2.1=1, 2047/2.1=1 HB3 ARG 140 - QD1 LEU 69 OK 14 72 - 20 - 3.4/9929=3, 3.4/9929=3...(8) HB3 LYS 93 - QD1 LEU 69 OK 13 68 - 19 - 3.0/9933=3, 3.4/9893=2...(7) HG13 ILE 83 - QD1 LEU 69 OK 12 89 - 14 - 2047/2.1=1, 2031/2.1=1 HB2 MET 59 - QD1 LEU 69 lone 6 68 - 8 - 4.2/10406=1 Peak 2040 from cnoeabs.peaks (1.86, 1.17, 23.77 ppm; 3.22 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 2.1=100 HB3 LYS 76 + QD1 LEU 69 OK 65 100 - 66 - 2048/2.1=8, 2266=8...(33) HB3 LYS 85 - QD1 LEU 69 OK 22 100 - 23 - 3.9/9876=3, 2048/2.1=2...(8) HB3 GLU 28 - QD1 LEU 69 OK 18 100 - 18 - 2048/2.1=3, ~314=2...(11) HB2 LYS 48 - QD1 LEU 69 OK 13 89 - 15 - 2048/2.1=2, 2015/3.2=1...(5) HB2 LYS 36 - QD1 LEU 69 OK 12 72 - 17 - 1.8/9892=4, 4.5/9880=4 HB3 LYS 48 - QD1 LEU 69 poor 8 62 - 13 - 3.6/9893=1, 3.6/9893=1 HB2 ARG 144 - QD1 LEU 69 lone 7 77 - 9 - 4.0/8461=1, 4.0/8461=1 Peak 2041 from cnoeabs.peaks (1.17, 1.17, 23.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD1 LEU 69 OK 100 100 - 100 Peak 2042 from cnoeabs.peaks (1.01, 1.17, 23.77 ppm; 2.68 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 2.1=100 QD2 LEU 116 + QD1 LEU 69 OK 58 100 - 58 - 2.1/10228=11, 2034/2.1=7...(27) Peak 2044 from cnoeabs.peaks (8.63, 1.01, 26.03 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 69 + QD2 LEU 69 OK 94 100 - 94 - 5.0=56, 2036/2.1=26...(20) H LEU 42 + QD2 LEU 69 OK 59 98 - 60 - 10733=14, 2036/2.1=13...(12) Peak 2045 from cnoeabs.peaks (4.00, 1.01, 26.03 ppm; 4.25 A): 2 out of 9 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.9=100 HA MET 113 + QD2 LEU 69 OK 49 100 - 49 - 3.0/9315=10, 5.4/9333=8...(14) HB3 SER 100 - QD2 LEU 69 OK 30 68 - 44 - 1.8/8462=13, ~8465=12...(13) HB2 SER 138 - QD2 LEU 69 OK 28 100 - 28 - 2037/2.1=4, 2012/3.2=3...(13) HB3 SER 138 - QD2 LEU 69 OK 28 100 - 28 - 2037/2.1=4, ~2037=3...(13) HA GLU 122 - QD2 LEU 69 OK 27 100 - 27 - 2005=5, 2037/2.1=4...(7) HA LYS 114 - QD2 LEU 69 OK 24 100 - 24 - 3.6/9369=6, 2037/2.1=3...(8) HB3 SER 127 - QD2 LEU 69 OK 13 85 - 16 - 2037/2.1=2, 6690/5.0=2...(7) HB2 SER 103 - QD2 LEU 69 lone 3 68 - 5 - 2037/2.1=1 Peak 2046 from cnoeabs.peaks (1.38, 1.01, 26.03 ppm; 3.48 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.2=100 HG LEU 132 - QD2 LEU 69 OK 35 96 - 36 - ~8474=8, 2038/2.1=5...(18) HB2 ARG 109 - QD2 LEU 69 OK 34 100 - 35 - 3.0/10176=6, 11115/3.2=5...(15) HG2 LYS 86 - QD2 LEU 69 OK 33 94 - 35 - 2038/2.1=4, 2022/3.2=3...(23) HB3 LEU 39 - QD2 LEU 69 OK 25 94 - 26 - 2038/2.1=3, ~8461=2...(10) HB VAL 82 - QD2 LEU 69 OK 19 77 - 24 - ~8800=4, 2038/2.1=3...(11) HG2 ARG 49 - QD2 LEU 69 OK 18 100 - 18 - 2038/2.1=2, 2022/3.2=2...(6) Peak 2047 from cnoeabs.peaks (1.90, 1.01, 26.03 ppm; 3.34 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.2=100 QE MET 68 - QD2 LEU 69 OK 36 100 - 36 - 1998/5.0=7, 8423/2.1=6...(14) HB ILE 136 - QD2 LEU 69 OK 32 94 - 34 - 2.5/8477=5, 2039/2.1=4...(16) HB2 LYS 86 - QD2 LEU 69 OK 28 81 - 34 - 2031/2.1=3, 2.9/2046=3...(15) HB3 GLN 111 - QD2 LEU 69 OK 25 94 - 27 - 4.6/9919=9, 2039/2.1=3...(7) HB3 ARG 89 - QD2 LEU 69 OK 21 98 - 21 - 2039/2.1=3, ~8947=3...(8) HB ILE 101 - QD2 LEU 69 OK 21 99 - 21 - 2039/2.1=3, 2031/2.1=3...(6) HB2 LYS 24 - QD2 LEU 69 OK 12 98 - 12 - 2039/2.1=1, 2031/2.1=1 HG13 ILE 83 - QD2 LEU 69 OK 11 89 - 13 - 2039/2.1=1, 2031/2.1=1...(4) HB3 ARG 140 - QD2 LEU 69 OK 10 72 - 14 - 3.4/8463=2, 2039/2.1=2...(5) HB3 LYS 93 - QD2 LEU 69 poor 9 68 - 13 - ~9933=2, 2039/2.1=2, 2031/2.1=1 HB2 MET 59 - QD2 LEU 69 lone 5 68 - 7 - 2039/2.1=1 Peak 2048 from cnoeabs.peaks (1.86, 1.01, 26.03 ppm; 3.34 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 2.1=100 HB3 LYS 76 + QD2 LEU 69 OK 58 100 - 58 - 2040/2.1=9, 3.0/2049=7...(27) HB3 GLU 28 - QD2 LEU 69 OK 19 100 - 19 - 2040/2.1=3, ~314=2...(11) HB3 LYS 85 - QD2 LEU 69 OK 18 100 - 18 - 2040/2.1=3, 2015/3.2=2...(8) HB2 LYS 48 - QD2 LEU 69 OK 12 89 - 13 - 2040/2.1=2, 2015/3.2=1...(4) HB2 LYS 36 - QD2 LEU 69 poor 9 72 - 13 - ~9892=3, 2040/2.1=2 HB3 LYS 48 - QD2 LEU 69 poor 8 62 - 12 - 2040/2.1=1, ~2040=1, 3.8/9877=1 HB2 ARG 144 - QD2 LEU 69 lone 4 77 - 6 - 2040/2.1=1 Peak 2049 from cnoeabs.peaks (1.17, 1.01, 26.03 ppm; 2.84 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 2.1=100 HG2 LYS 76 + QD2 LEU 69 OK 51 100 - 51 - 3.0/2048=5, 2033/2.1=4...(31) HB2 LEU 72 + QD2 LEU 69 OK 48 100 - 48 - 3.1/8477=4, 2033/2.1=4...(24) QG2 THR 92 - QD2 LEU 69 poor 9 77 - 11 - 9025/3.2=1 QD1 LEU 26 - QD2 LEU 69 lone 7 72 - 9 - Peak 2050 from cnoeabs.peaks (1.01, 1.01, 26.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 Peak 2052 from cnoeabs.peaks (7.49, 4.33, 62.26 ppm; 4.50 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 70 + HA TYR 70 OK 100 100 - 100 - 2.9=100 HD1 TRP 88 - HA TYR 70 OK 31 94 - 33 - 5.0/8492=9, 9399/8479=7...(8) HE21 GLN 47 - HA TYR 70 OK 25 99 - 26 - 11651/11537=17...(6) HE ARG 49 - HA TYR 70 OK 13 99 - 13 - 6722/3.6=2, 2062/3.0=2...(6) HE22 GLN 25 - HA TYR 70 lone 6 85 - 7 - 6722/3.6=2, 2062/3.0=1 Peak 2053 from cnoeabs.peaks (4.33, 4.33, 62.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 70 + HA TYR 70 OK 100 100 - 100 Peak 2054 from cnoeabs.peaks (3.15, 4.33, 62.26 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 HA LEU 39 + HA TYR 70 OK 57 96 - 59 - 2072/3.0=9, 4605/3.1=9...(18) HA VAL 80 - HA TYR 70 OK 37 72 - 51 - 3.2/8761=20, 8501/4.9=8...(16) HB2 TRP 17 - HA TYR 70 OK 29 96 - 30 - ~186=5, 2072/3.0=4...(11) Peak 2055 from cnoeabs.peaks (2.73, 4.33, 62.26 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: * HB3 TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 HB2 PHE 38 + HA TYR 70 OK 46 100 - 46 - ~11543=12, 2065/3.0=7...(12) HB3 MET 46 - HA TYR 70 OK 25 92 - 27 - 2065/3.0=4, 6712/2.9=3...(15) HB3 GLU 120 - HA TYR 70 OK 24 100 - 24 - 2065/3.0=3, ~4017=3...(11) HB2 ASN 96 - HA TYR 70 OK 17 89 - 19 - ~4697=7, 2065/3.0=2...(7) HB2 ASN 84 - HA TYR 70 poor 10 72 - 13 - 6725/3.6=2, 2065/3.0=2...(7) Peak 2058 from cnoeabs.peaks (8.30, 4.33, 62.26 ppm; 5.20 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 71 + HA TYR 70 OK 100 100 - 100 - 3.6=100 H THR 18 - HA TYR 70 OK 34 98 - 35 - ~10859=12, 2068/3.0=8...(6) H ASN 128 - HA TYR 70 OK 18 92 - 20 - 2077/4.9=6, 6715/2.9=5...(6) H LEU 64 - HA TYR 70 OK 18 94 - 19 - 2077/4.9=6, 6715/2.9=4...(6) Peak 2059 from cnoeabs.peaks (8.00, 4.33, 62.26 ppm; 6.08 A): 2 out of 5 assignments used, quality = 0.95: * H VAL 73 + HA TYR 70 OK 89 100 - 89 - 6754=39, 3.2/6771=33...(13) H ALA 104 + HA TYR 70 OK 49 100 - 49 - 4.6/11538=25, 6733/3.6=8...(10) H GLN 47 - HA TYR 70 OK 23 96 - 24 - 4.6/2055=5, 6.8/2052=4...(8) H ARG 140 - HA TYR 70 OK 16 100 - 16 - 6733/3.6=3, 9751/4.9=3...(5) H ARG 145 - HA TYR 70 lone 6 81 - 7 - 6733/3.6=2 Peak 2060 from cnoeabs.peaks (2.12, 4.33, 62.26 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.68: * HB VAL 73 + HA TYR 70 OK 59 100 - 60 - 4.0/6754=22, 4.7/6771=18...(8) HB2 GLU 75 + HA TYR 70 OK 20 100 - 20 - 6777/6771=5, 6765/6754=4...(6) HG2 GLN 111 - HA TYR 70 lone 5 85 - 5 - 2060=1 Peak 2062 from cnoeabs.peaks (7.49, 3.15, 38.83 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 3.6=100 HD1 TRP 88 - HB2 TYR 70 OK 21 94 - 22 - 9399/9373=6, 2070/1.8=6...(5) HE21 GLN 47 - HB2 TYR 70 lone 10 99 - 10 - 2052/3.0=4, 2070/1.8=3 HE ARG 49 - HB2 TYR 70 lone 8 99 - 8 - 2052/3.0=2, 2070/1.8=2 HE22 GLN 25 - HB2 TYR 70 lone 4 85 - 5 - 6722/4.4=2, 2070/1.8=1 Peak 2063 from cnoeabs.peaks (4.33, 3.15, 38.83 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 3.0=100 HA PRO 12 + HB2 TYR 70 OK 61 100 - 61 - ~9937=17, 4604/2.6=11...(11) HA ILE 56 - HB2 TYR 70 OK 13 62 - 21 - 4604/2.6=6, ~1458=4...(7) Peak 2064 from cnoeabs.peaks (3.15, 3.15, 38.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 70 + HB2 TYR 70 OK 100 100 - 100 Peak 2065 from cnoeabs.peaks (2.73, 3.15, 38.83 ppm; 4.05 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 1.8=100 HB2 PHE 38 - HB2 TYR 70 OK 44 100 - 44 - ~11543=13, ~810=6...(12) HB3 GLU 120 - HB2 TYR 70 OK 20 100 - 21 - ~4017=3, 2055/3.0=3...(10) HB3 MET 46 - HB2 TYR 70 OK 20 92 - 21 - 2055/3.0=3, 6712/3.6=2...(12) HB2 ASN 96 - HB2 TYR 70 OK 14 89 - 16 - ~4697=6, 2055/3.0=2...(7) HB2 ASN 84 - HB2 TYR 70 poor 8 72 - 11 - ~2564=2, ~2548=1...(4) Peak 2066 from cnoeabs.peaks (7.08, 3.15, 38.83 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 2.6=100 H MET 68 - HB2 TYR 70 OK 26 81 - 32 - 6678/3.6=11, 3.6/1931=10...(5) Peak 2068 from cnoeabs.peaks (8.30, 3.15, 38.83 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 71 + HB2 TYR 70 OK 100 100 - 100 - 4.4=100 H THR 18 - HB2 TYR 70 OK 32 98 - 33 - ~10859=10, 2076/1.8=7...(7) H ASN 128 - HB2 TYR 70 OK 11 92 - 11 - 6715/3.6=4, 2058/3.0=3...(4) H LEU 64 - HB2 TYR 70 poor 10 94 - 10 - 6715/3.6=3, 2058/3.0=3...(4) Peak 2070 from cnoeabs.peaks (7.49, 2.73, 38.83 ppm; 4.32 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 3.6=100 HD1 TRP 88 - HB3 TYR 70 OK 22 94 - 23 - 9399/8485=6, 2062/1.8=6...(5) HE21 GLN 47 - HB3 TYR 70 OK 10 99 - 10 - 2052/3.0=4, 2062/1.8=3 HE ARG 49 - HB3 TYR 70 lone 8 99 - 8 - 2062/1.8=2, 2052/3.0=2 HE22 GLN 25 - HB3 TYR 70 lone 4 85 - 5 - 6722/4.4=2, 2062/1.8=1 Peak 2071 from cnoeabs.peaks (4.33, 2.73, 38.83 ppm; 6.69 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 3.0=100 HA PRO 12 + HB3 TYR 70 OK 78 100 - 79 - ~9937=31, 2063/1.8=18...(11) HA ILE 56 - HB3 TYR 70 OK 22 62 - 35 - 4604/2.6=8, ~1458=7...(7) Peak 2072 from cnoeabs.peaks (3.15, 2.73, 38.83 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 1.8=100 HA LEU 39 + HB3 TYR 70 OK 59 96 - 62 - 2.9/6258=10, 3.0/8485=9...(15) HA VAL 80 - HB3 TYR 70 OK 31 72 - 43 - ~8761=10, ~8761=5...(15) HB2 TRP 17 - HB3 TYR 70 OK 23 96 - 24 - ~186=6, 2054/3.0=4...(8) Peak 2073 from cnoeabs.peaks (2.73, 2.73, 38.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 70 + HB3 TYR 70 OK 100 100 - 100 Peak 2076 from cnoeabs.peaks (8.30, 2.73, 38.83 ppm; 4.87 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 71 + HB3 TYR 70 OK 100 100 - 100 - 4.4=100 H THR 18 - HB3 TYR 70 OK 30 98 - 31 - ~10859=11, 2068/1.8=9...(5) H LEU 64 - HB3 TYR 70 OK 11 94 - 11 - 2058/3.0=3, 6715/3.6=3...(4) H ASN 128 - HB3 TYR 70 OK 11 92 - 12 - 6715/3.6=4, 2058/3.0=3 Peak 2077 from cnoeabs.peaks (8.30, 2.97, 66.88 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 71 + HA VAL 71 OK 100 100 - 100 - 2.9=100 H LEU 64 - HA VAL 71 OK 34 94 - 36 - 3.0/8503=6, 2086/3.0=6...(11) H ASN 128 - HA VAL 71 OK 31 92 - 34 - 4.8/9525=5, 2098/3.2=4...(13) H THR 18 - HA VAL 71 OK 13 98 - 13 - ~11273=4, 2058/4.9=2...(6) Peak 2078 from cnoeabs.peaks (2.97, 2.97, 66.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 71 + HA VAL 71 OK 100 100 - 100 Peak 2079 from cnoeabs.peaks (1.67, 2.97, 66.88 ppm; 3.89 A): 3 out of 13 assignments used, quality = 1.00: * HB VAL 71 + HA VAL 71 OK 100 100 - 100 - 3.0=100 HB2 MET 68 + HA VAL 71 OK 88 99 - 89 - ~1957=12, ~8439=12...(37) HG13 ILE 136 + HA VAL 71 OK 58 77 - 75 - 2.1/8496=11, ~8517=6...(36) HB2 ARG 145 - HA VAL 71 OK 23 100 - 24 - 2094/3.2=2, 2100/3.2=2...(12) HG2 ARG 124 - HA VAL 71 OK 23 100 - 23 - 6741/3.6=3, 4230/2083=2...(8) HB2 LEU 95 - HA VAL 71 OK 20 100 - 20 - 3.1/8496=4, 2100/3.2=2...(5) HG2 ARG 89 - HA VAL 71 OK 12 100 - 12 - 2094/3.2=1, 2100/3.2=1, ~8520=1 HG2 ARG 140 - HA VAL 71 lone 8 81 - 10 - ~8520=1 HD2 LYS 93 - HA VAL 71 lone 7 77 - 9 - HD2 LYS 48 - HA VAL 71 lone 7 100 - 7 - HD3 LYS 48 - HA VAL 71 lone 6 94 - 6 - HD3 LYS 93 - HA VAL 71 lone 5 62 - 9 - HB2 LYS 114 - HA VAL 71 lone 3 62 - 5 - Peak 2080 from cnoeabs.peaks (0.24, 2.97, 66.88 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.95: * QG2 VAL 71 + HA VAL 71 OK 95 100 - 95 - 3.2=82, 6730/2.9=26...(21) Peak 2081 from cnoeabs.peaks (0.58, 2.97, 66.88 ppm; 3.05 A): 1 out of 5 assignments used, quality = 0.97: * QG1 VAL 71 + HA VAL 71 OK 97 100 - 97 - 3.2=86, 2.1/2080=32...(18) QD1 LEU 66 - HA VAL 71 OK 43 96 - 45 - 9898=12, 2096/3.2=5...(15) QD1 LEU 132 - HA VAL 71 OK 34 98 - 35 - 2090/3.0=4, 2096/3.2=4...(16) QG2 ILE 58 - HA VAL 71 OK 17 99 - 17 - 10580/2.9=3, 2096/3.2=2...(7) QD1 ILE 56 - HA VAL 71 lone 5 62 - 8 - 1479/4.9=1 Peak 2082 from cnoeabs.peaks (8.57, 2.97, 66.88 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 72 + HA VAL 71 OK 100 100 - 100 - 3.6=100 H ASP 40 + HA VAL 71 OK 57 98 - 58 - 2097/3.2=12, 6732/2.9=11...(18) H LYS 85 - HA VAL 71 OK 42 94 - 44 - 6949=8, 6732/2.9=5...(12) Peak 2083 from cnoeabs.peaks (8.22, 2.97, 66.88 ppm; 4.11 A): 4 out of 5 assignments used, quality = 0.91: * H THR 74 + HA VAL 71 OK 84 100 - 84 - 6772=31, 8602/3.2=25...(18) H ILE 136 + HA VAL 71 OK 31 98 - 32 - 4.8/8496=6, 4.5/2079=4...(10) H ARG 124 + HA VAL 71 OK 15 89 - 16 - 6751/3.6=3, 7557/6772=2...(6) H GLY 125 + HA VAL 71 OK 10 94 - 11 - 6751/3.6=2, 7559/6772=1...(5) H MET 11 - HA VAL 71 lone 1 68 - 2 - Peak 2084 from cnoeabs.peaks (3.71, 2.97, 66.88 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.97: * HB THR 74 + HA VAL 71 OK 89 100 - 89 - 4.0/2083=45, 2190=28...(13) HA ILE 136 + HA VAL 71 OK 71 92 - 77 - 4.2/8496=15, 9681/3.2=13...(22) HA LEU 108 - HA VAL 71 OK 18 96 - 19 - 3.8/8496=5, 6781/2083=3...(6) HA ILE 91 - HA VAL 71 poor 9 68 - 14 - 6781/2083=2, 8962/9955=2...(5) HA THR 107 - HA VAL 71 lone 8 99 - 9 - 4636/8496=1, 6781/2083=1 Peak 2085 from cnoeabs.peaks (3.84, 1.67, 31.76 ppm; 3.59 A): 2 out of 7 assignments used, quality = 0.97: * HA MET 68 + HB VAL 71 OK 87 100 - 87 - 8439/2.1=32, 8438/2.1=29...(21) HA LEU 72 + HB VAL 71 OK 76 94 - 81 - 2.9/2091=18, ~2097=15...(18) HB2 SER 127 - HB VAL 71 OK 32 100 - 32 - 8506/2.1=8, 8508/2.1=5...(8) HA ALA 104 - HB VAL 71 OK 30 100 - 30 - 8506/2.1=7, 8508/2.1=4...(8) HA GLN 133 - HB VAL 71 OK 24 89 - 27 - 8506/2.1=6, 9620/2.1=5...(8) HD2 PRO 118 - HB VAL 71 OK 11 72 - 16 - 8508/2.1=3, ~9894=3, 8506/2.1=2 HB2 SER 100 - HB VAL 71 lone 5 81 - 6 - 8506/2.1=1 Peak 2086 from cnoeabs.peaks (8.30, 1.67, 31.76 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.99: * H VAL 71 + HB VAL 71 OK 99 100 - 99 - 3.8=89, 6730/2.1=43...(23) H LEU 64 - HB VAL 71 OK 38 94 - 41 - 4.9/10593=9, 2098/2.1=7...(11) H ASN 128 - HB VAL 71 OK 20 92 - 22 - 2098/2.1=5, 2077/3.0=5...(7) H THR 18 - HB VAL 71 lone 9 98 - 9 - 2077/3.0=2, 2092/2.1=2...(4) Peak 2087 from cnoeabs.peaks (2.97, 1.67, 31.76 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 71 + HB VAL 71 OK 100 100 - 100 - 3.0=100 HB3 TYR 27 - HB VAL 71 OK 30 100 - 30 - 2099/2.1=6, 2093/2.1=6...(11) HA VAL 82 - HB VAL 71 OK 27 85 - 32 - 2099/2.1=5, 2093/2.1=5...(12) HB3 ASN 128 - HB VAL 71 OK 12 72 - 17 - 3.9/2086=3, 6728/3.8=3...(9) HB2 ASP 30 - HB VAL 71 lone 9 96 - 9 - 2099/2.1=2, 2093/2.1=2 Peak 2088 from cnoeabs.peaks (1.67, 1.67, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 71 + HB VAL 71 OK 100 100 - 100 Peak 2089 from cnoeabs.peaks (0.24, 1.67, 31.76 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 71 + HB VAL 71 OK 100 100 - 100 - 2.1=100 Peak 2090 from cnoeabs.peaks (0.58, 1.67, 31.76 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 71 + HB VAL 71 OK 100 100 - 100 - 2.1=100 QD1 LEU 66 + HB VAL 71 OK 46 96 - 48 - 9898/3.0=12, 2096/2.1=8...(15) QD1 LEU 132 - HB VAL 71 OK 41 98 - 42 - 2096/2.1=6, 2081/3.0=5...(16) QG2 ILE 58 - HB VAL 71 OK 18 99 - 19 - 10580/3.8=3, 2096/2.1=3...(8) QD1 ILE 56 - HB VAL 71 lone 5 62 - 8 - 10597=1 Peak 2091 from cnoeabs.peaks (8.57, 1.67, 31.76 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.95: * H LEU 72 + HB VAL 71 OK 95 100 - 95 - 4.6=48, 2097/2.1=34...(26) H ASP 40 - HB VAL 71 OK 37 98 - 38 - 2097/2.1=10, 2103/2.1=10...(7) H LYS 85 - HB VAL 71 OK 19 94 - 21 - 6949/3.0=5, 2103/2.1=5...(5) Peak 2092 from cnoeabs.peaks (8.30, 0.24, 22.24 ppm; 2.76 A): 3 out of 4 assignments used, quality = 0.92: * H VAL 71 + QG2 VAL 71 OK 89 100 - 89 - 6730=49, 2.9/2080=20...(19) H LEU 64 + QG2 VAL 71 OK 20 94 - 21 - 2086/2.1=4, 2098/2.1=4...(7) H ASN 128 + QG2 VAL 71 OK 13 92 - 14 - 2098/2.1=3, 2077/3.2=3...(5) H THR 18 - QG2 VAL 71 lone 6 98 - 6 - 2098/2.1=1, 2077/3.2=1 Peak 2093 from cnoeabs.peaks (2.97, 0.24, 22.24 ppm; 2.78 A): 3 out of 5 assignments used, quality = 0.92: * HA VAL 71 + QG2 VAL 71 OK 89 100 - 89 - 3.2=66, 2.9/6730=22...(19) HB3 TYR 27 + QG2 VAL 71 OK 15 100 - 15 - 2099/2.1=4, 2087/2.1=3...(5) HA VAL 82 + QG2 VAL 71 OK 13 85 - 15 - 2099/2.1=3, 2087/2.1=2...(5) HB3 ASN 128 - QG2 VAL 71 lone 6 72 - 8 - 3.9/2092=2, 2099/2.1=1...(4) HB2 ASP 30 - QG2 VAL 71 lone 4 96 - 4 - Peak 2094 from cnoeabs.peaks (1.67, 0.24, 22.24 ppm; 2.85 A): 2 out of 13 assignments used, quality = 1.00: * HB VAL 71 + QG2 VAL 71 OK 100 100 - 100 - 2.1=100 HB2 MET 68 + QG2 VAL 71 OK 71 99 - 72 - 3.0/8439=13, 4.2/8426=12...(31) HG13 ILE 136 - QG2 VAL 71 OK 40 77 - 51 - 2.1/8516=5, 1.8/8517=5...(26) HB2 ARG 145 - QG2 VAL 71 OK 18 100 - 18 - 3.4/8505=2, 1.8/9900=2...(9) HB2 LEU 95 - QG2 VAL 71 OK 12 100 - 12 - 3.1/8516=1, 2100/2.1=1 HG2 ARG 124 - QG2 VAL 71 OK 12 100 - 12 - 3.0/9939=1, 2100/2.1=1 HG2 ARG 89 - QG2 VAL 71 lone 9 100 - 9 - 2.8/8520=1 HG2 ARG 140 - QG2 VAL 71 lone 7 81 - 9 - 2.9/8520=1, 2.9/8520=1 HD2 LYS 93 - QG2 VAL 71 lone 5 77 - 6 - HD2 LYS 48 - QG2 VAL 71 lone 4 100 - 4 - HD3 LYS 48 - QG2 VAL 71 lone 4 94 - 4 - HD3 LYS 93 - QG2 VAL 71 lone 3 62 - 5 - HB2 LYS 114 - QG2 VAL 71 lone 2 62 - 3 - Peak 2095 from cnoeabs.peaks (0.24, 0.24, 22.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 71 + QG2 VAL 71 OK 100 100 - 100 Peak 2096 from cnoeabs.peaks (0.58, 0.24, 22.24 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 71 + QG2 VAL 71 OK 100 100 - 100 - 2.1=100 QD1 LEU 66 - QG2 VAL 71 OK 35 96 - 37 - 9898/3.2=6, 2090/2.1=4...(18) QD1 LEU 132 - QG2 VAL 71 OK 25 98 - 26 - 2090/2.1=4, 2081/3.2=3...(10) QG2 ILE 58 - QG2 VAL 71 OK 13 99 - 14 - 8632/9972=2, 8643/9971=2...(5) QD1 ILE 56 - QG2 VAL 71 lone 3 62 - 5 - Peak 2097 from cnoeabs.peaks (8.57, 0.24, 22.24 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 72 + QG2 VAL 71 OK 96 100 - 96 - 4.3=49, 2103/2.1=29...(30) H ASP 40 + QG2 VAL 71 OK 47 98 - 48 - 2103/2.1=9, 2091/2.1=7...(14) H LYS 85 - QG2 VAL 71 OK 20 94 - 21 - 2103/2.1=4, 6949/3.2=4...(6) Peak 2098 from cnoeabs.peaks (8.30, 0.58, 20.44 ppm; 3.47 A): 1 out of 4 assignments used, quality = 0.97: * H VAL 71 + QG1 VAL 71 OK 97 100 - 97 - 4.0=65, 6730/2.1=42...(22) H LEU 64 - QG1 VAL 71 OK 33 94 - 35 - 2086/2.1=7, 2092/2.1=7...(10) H ASN 128 - QG1 VAL 71 OK 24 92 - 26 - 2092/2.1=4, 2077/3.2=4...(9) H THR 18 - QG1 VAL 71 lone 8 98 - 8 - 2092/2.1=2, 2077/3.2=2...(4) Peak 2099 from cnoeabs.peaks (2.97, 0.58, 20.44 ppm; 3.11 A): 1 out of 5 assignments used, quality = 0.98: * HA VAL 71 + QG1 VAL 71 OK 98 100 - 98 - 3.2=92, 2080/2.1=33...(19) HB3 TYR 27 - QG1 VAL 71 OK 21 100 - 21 - 2093/2.1=4, 2087/2.1=4...(10) HA VAL 82 - QG1 VAL 71 OK 18 85 - 21 - 2093/2.1=4, 2087/2.1=3...(8) HB3 ASN 128 - QG1 VAL 71 poor 8 72 - 12 - 3.9/2098=2, 2093/2.1=2...(4) HB2 ASP 30 - QG1 VAL 71 lone 5 96 - 6 - 2093/2.1=1, 2087/2.1=1 Peak 2100 from cnoeabs.peaks (1.67, 0.58, 20.44 ppm; 3.03 A): 2 out of 13 assignments used, quality = 1.00: * HB VAL 71 + QG1 VAL 71 OK 100 100 - 100 - 2.1=100 HB2 MET 68 + QG1 VAL 71 OK 77 99 - 78 - 3.0/8438=15, 4.2/8425=10...(31) HG13 ILE 136 - QG1 VAL 71 OK 44 77 - 57 - 2.1/9685=12, 2.3/9683=7...(25) HB2 ARG 145 - QG1 VAL 71 OK 18 100 - 18 - 1.8/9901=3, 2094/2.1=2...(8) HG2 ARG 124 - QG1 VAL 71 OK 14 100 - 14 - 2094/2.1=1, 6741/4.2=1...(4) HB2 LEU 95 - QG1 VAL 71 OK 14 100 - 14 - 2094/2.1=1 HG2 ARG 89 - QG1 VAL 71 OK 10 100 - 10 - 2094/2.1=1, 2.8/8514=1 HG2 ARG 140 - QG1 VAL 71 lone 8 81 - 10 - 2.9/8514=1 HD2 LYS 48 - QG1 VAL 71 lone 5 100 - 5 - HD3 LYS 48 - QG1 VAL 71 lone 5 94 - 5 - HD2 LYS 93 - QG1 VAL 71 lone 5 77 - 6 - HD3 LYS 93 - QG1 VAL 71 lone 4 62 - 7 - HB2 LYS 114 - QG1 VAL 71 lone 3 62 - 5 - 4.6/9368=2 Peak 2101 from cnoeabs.peaks (0.24, 0.58, 20.44 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 71 + QG1 VAL 71 OK 100 100 - 100 - 2.1=100 Peak 2102 from cnoeabs.peaks (0.58, 0.58, 20.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 71 + QG1 VAL 71 OK 100 100 - 100 Peak 2103 from cnoeabs.peaks (8.57, 0.58, 20.44 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 72 + QG1 VAL 71 OK 96 100 - 96 - 4.2=56, 2097/2.1=32...(28) H ASP 40 + QG1 VAL 71 OK 45 98 - 46 - 2097/2.1=10, 2091/2.1=8...(12) H LYS 85 - QG1 VAL 71 OK 21 94 - 22 - 2097/2.1=4, 6949/3.2=4...(5) Peak 2104 from cnoeabs.peaks (8.57, 3.85, 57.42 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 72 + HA LEU 72 OK 100 100 - 100 - 2.9=100 H ASP 40 + HA LEU 72 OK 49 98 - 50 - 2125/3.0=7, 2149/3.8=7...(17) H LYS 85 - HA LEU 72 OK 26 94 - 28 - 2125/3.0=4, 2116/3.0=4...(9) Peak 2105 from cnoeabs.peaks (3.85, 3.85, 57.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 72 + HA LEU 72 OK 100 100 - 100 Peak 2106 from cnoeabs.peaks (1.17, 3.85, 57.42 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 72 + HA LEU 72 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HA LEU 72 OK 69 100 - 69 - 9922/3.6=17, 2106=11...(21) HG2 LYS 76 - HA LEU 72 OK 44 100 - 44 - 6759/3.6=5, 6745/2.9=5...(19) QG2 THR 92 - HA LEU 72 OK 33 77 - 42 - 10084=10, 9028/3.8=6...(13) QD1 LEU 26 - HA LEU 72 OK 13 72 - 18 - 2106=2, 6745/2.9=2...(4) Peak 2107 from cnoeabs.peaks (1.81, 3.85, 57.42 ppm; 3.60 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 72 + HA LEU 72 OK 100 100 - 100 - 3.0=100 HB3 MET 68 - HA LEU 72 OK 44 62 - 71 - 1.8/1960=8, 2.9/1984=7...(31) HB2 ARG 124 - HA LEU 72 OK 37 94 - 39 - 1.8/2114=6, 6760/3.6=4...(16) HB2 MET 11 - HA LEU 72 OK 24 94 - 26 - 1.8/2114=3, 2107=3...(9) HB3 LYS 24 - HA LEU 72 OK 19 81 - 23 - 2136/3.7=3, ~11323=3...(10) HD3 LYS 86 - HA LEU 72 OK 16 92 - 18 - 2107=2, 6746/2.9=2...(7) HD3 LYS 36 - HA LEU 72 OK 15 72 - 20 - 2107=2, 2.9/684=2...(7) HB VAL 80 - HA LEU 72 OK 10 89 - 11 - 2.1/8747=2, 6746/2.9=1 HB2 ARG 141 - HA LEU 72 lone 5 62 - 8 - Peak 2108 from cnoeabs.peaks (1.78, 3.85, 57.42 ppm; 3.44 A): 1 out of 9 assignments used, quality = 0.96: * HG LEU 72 + HA LEU 72 OK 96 100 - 96 - 3.7=81, 2.1/2109=21...(24) HG2 PRO 57 - HA LEU 72 OK 34 100 - 34 - 2.3/11518=4, 6747/2.9=4...(14) HD3 LYS 34 - HA LEU 72 OK 33 92 - 36 - 1.8/2108=5, 6747/2.9=3...(15) HD2 LYS 34 - HA LEU 72 OK 31 92 - 34 - 2108=6, 2120/3.0=3...(13) HG LEU 39 - HA LEU 72 OK 28 77 - 37 - 852/2.9=6, 2108=6...(13) HB3 MET 59 - HA LEU 72 OK 17 94 - 18 - 2108=3, 2145/3.9=2...(8) HB3 ARG 145 - HA LEU 72 OK 14 94 - 15 - 4953/3.6=3, 2108=3...(7) HB3 LYS 24 - HA LEU 72 OK 14 72 - 19 - ~11323=3, 1.8/2107=2...(9) HB3 ARG 55 - HA LEU 72 lone 6 85 - 7 - 6761/3.6=1, 2108=1 Peak 2109 from cnoeabs.peaks (0.76, 3.85, 57.42 ppm; 2.92 A): 3 out of 5 assignments used, quality = 0.99: QD1 LEU 72 + HA LEU 72 OK 84 99 - 85 - 3.8=46, 2.1/2109=17...(23) * QD2 LEU 72 + HA LEU 72 OK 84 100 - 84 - 3.9=41, 2141/2.9=13...(24) QG2 VAL 73 + HA LEU 72 OK 57 96 - 59 - 2179/3.6=15, 2110=11...(16) QD1 ILE 136 - HA LEU 72 OK 29 98 - 30 - 2110=4, 6748/2.9=3...(12) QD1 LEU 108 - HA LEU 72 OK 28 62 - 44 - 2110=8, 2149/2.9=5...(20) Peak 2110 from cnoeabs.peaks (0.76, 3.85, 57.42 ppm; 2.92 A): 3 out of 5 assignments used, quality = 0.99: * QD1 LEU 72 + HA LEU 72 OK 86 100 - 86 - 3.8=46, 2.1/2109=17...(24) QD2 LEU 72 + HA LEU 72 OK 83 99 - 84 - 3.9=41, 2141/2.9=13...(24) QG2 VAL 73 + HA LEU 72 OK 61 100 - 61 - 2179/3.6=16, 2110=12...(16) QD1 LEU 108 - HA LEU 72 OK 39 81 - 48 - 2110=8, 2149/2.9=6...(21) QD1 ILE 136 - HA LEU 72 OK 30 100 - 30 - 2110=5, 6748/2.9=3...(12) Peak 2111 from cnoeabs.peaks (8.00, 3.85, 57.42 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 73 + HA LEU 72 OK 100 100 - 100 - 3.6=100 H ALA 104 + HA LEU 72 OK 70 100 - 70 - 6750/2.9=10, 9909/3.0=10...(22) H ARG 140 - HA LEU 72 OK 28 100 - 28 - 6750/2.9=4, 2156/3.8=4...(7) H GLN 47 - HA LEU 72 OK 22 96 - 22 - 2156/3.8=3, 2148/3.9=3...(8) H ARG 145 - HA LEU 72 OK 14 81 - 17 - 6750/2.9=2, 4.0/2108=2...(6) Peak 2112 from cnoeabs.peaks (8.41, 3.85, 57.42 ppm; 4.73 A): 2 out of 5 assignments used, quality = 0.90: * H GLU 75 + HA LEU 72 OK 88 100 - 88 - 6769/3.6=24, 6787=23...(17) H TYR 117 + HA LEU 72 OK 14 81 - 18 - 2112=4, 6769/3.6=4...(5) H SER 103 - HA LEU 72 poor 8 72 - 11 - 4.6/2111=7, 6769/3.6=2 H GLY 31 - HA LEU 72 lone 8 81 - 9 - 4.7/8078=5, 6769/3.6=1 H LYS 61 - HA LEU 72 lone 4 72 - 6 - Peak 2113 from cnoeabs.peaks (2.12, 3.85, 57.42 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.97: HB VAL 73 + HA LEU 72 OK 85 100 - 85 - 6765/3.6=20, 2113=19...(27) * HB2 GLU 75 + HA LEU 72 OK 79 100 - 79 - 2208=27, 1.8/2114=21...(17) HG2 GLN 111 - HA LEU 72 lone 9 92 - 10 - 2113=2, 6765/3.6=2 Peak 2114 from cnoeabs.peaks (1.98, 3.85, 57.42 ppm; 4.02 A): 7 out of 7 assignments used, quality = 0.94: * HB3 GLU 75 + HA LEU 72 OK 77 100 - 77 - 2216=26, 1.8/2208=22...(17) HB3 ARG 124 + HA LEU 72 OK 40 100 - 40 - 11609/3.9=6, 1.8/2107=6...(17) HB VAL 63 + HA LEU 72 OK 23 68 - 34 - 2.1/8539=8, ~9871=5...(10) HB2 LYS 34 + HA LEU 72 OK 20 72 - 28 - 3.4/2108=4, 3.4/2108=4...(12) HB3 MET 11 + HA LEU 72 OK 17 68 - 24 - 2114=5, 1.8/2107=4...(11) QE MET 59 + HA LEU 72 OK 13 72 - 18 - 10402=3, 10406/3.0=3...(6) HB2 GLU 142 + HA LEU 72 OK 11 92 - 12 - 2114=4, 2212/2208=2...(4) Peak 2116 from cnoeabs.peaks (8.57, 1.17, 42.88 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.4=100 H ASP 40 + HB2 LEU 72 OK 60 98 - 62 - 2125/1.8=12, 2149/3.1=11...(17) H LYS 85 - HB2 LEU 72 OK 33 94 - 35 - 2125/1.8=7, 2104/3.0=6...(8) Peak 2117 from cnoeabs.peaks (3.85, 1.17, 42.88 ppm; 4.28 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.0=100 HA MET 68 + HB2 LEU 72 OK 82 94 - 87 - 9918/3.4=15, 2117=12...(34) HA ALA 104 + HB2 LEU 72 OK 63 89 - 71 - 2.1/9197=12, ~10172=9...(20) HB2 SER 127 - HB2 LEU 72 OK 41 96 - 43 - 6744/3.4=5, 2126/1.8=5...(13) Peak 2118 from cnoeabs.peaks (1.17, 1.17, 42.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 72 + HB2 LEU 72 OK 100 100 - 100 Peak 2119 from cnoeabs.peaks (1.81, 1.17, 42.88 ppm; 3.82 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 1.8=100 HB3 MET 68 + HB2 LEU 72 OK 56 62 - 89 - ~9912=11, ~9945=9...(51) HB2 ARG 124 + HB2 LEU 72 OK 47 94 - 49 - 2144/3.2=4, 2107/3.0=4...(23) HB3 LYS 24 - HB2 LEU 72 OK 32 81 - 40 - ~11323=5, ~10880=4...(17) HB2 MET 11 - HB2 LEU 72 OK 32 94 - 33 - 2144/3.2=3, 2107/3.0=3...(18) HD3 LYS 86 - HB2 LEU 72 OK 21 92 - 23 - 2107/3.0=2, 6746/3.4=2...(8) HD3 LYS 36 - HB2 LEU 72 OK 16 72 - 22 - 2107/3.0=2, 5.3/2117=1...(12) HB VAL 80 - HB2 LEU 72 OK 12 89 - 13 - ~2427=1, 6746/3.4=1...(5) HB2 ARG 141 - HB2 LEU 72 poor 6 62 - 10 - Peak 2120 from cnoeabs.peaks (1.78, 1.17, 42.88 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.0=100 HD3 LYS 34 + HB2 LEU 72 OK 46 92 - 50 - 2129/1.8=5, 1.8/2120=4...(22) HD2 LYS 34 - HB2 LEU 72 OK 43 92 - 47 - 2129/1.8=4, 2108/3.0=4...(21) HG2 PRO 57 - HB2 LEU 72 OK 40 100 - 40 - 2129/1.8=4, 6747/3.4=4...(19) HG LEU 39 - HB2 LEU 72 OK 35 77 - 45 - 852/3.4=6, 8134/3.0=5...(18) HB3 MET 59 - HB2 LEU 72 OK 29 94 - 31 - 2145/3.2=3, 2120=3...(13) HB3 LYS 24 - HB2 LEU 72 OK 26 72 - 36 - ~11323=5, ~10880=4...(18) HB3 ARG 145 - HB2 LEU 72 OK 17 94 - 18 - 4953/4.4=2, 6747/3.4=2...(8) HB3 ARG 55 - HB2 LEU 72 lone 8 85 - 9 - 6761/4.4=1 Peak 2121 from cnoeabs.peaks (0.76, 1.17, 42.88 ppm; 3.35 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.2=100 QD1 LEU 72 + HB2 LEU 72 OK 99 99 - 100 - 3.1=100 QG2 VAL 73 + HB2 LEU 72 OK 73 96 - 75 - 2179/4.4=15, 8595=14...(25) QD1 ILE 136 - HB2 LEU 72 OK 44 98 - 45 - 2121=4, 2130/1.8=4...(20) QD1 LEU 108 - HB2 LEU 72 OK 40 62 - 65 - 2122=6, 3.2/8536=6...(34) Peak 2122 from cnoeabs.peaks (0.76, 1.17, 42.88 ppm; 3.35 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.1=100 QD2 LEU 72 + HB2 LEU 72 OK 99 99 - 100 - 3.2=100 QG2 VAL 73 + HB2 LEU 72 OK 77 100 - 77 - 2179/4.4=16, 8595=15...(25) QD1 LEU 108 + HB2 LEU 72 OK 55 81 - 68 - 2122=7, 2149/3.4=7...(36) QD1 ILE 136 + HB2 LEU 72 OK 45 100 - 46 - 2122=5, 2130/1.8=4...(20) Peak 2125 from cnoeabs.peaks (8.57, 1.81, 42.88 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.4=100 H ASP 40 + HB3 LEU 72 OK 57 98 - 58 - 2116/1.8=11, 2149/3.1=10...(17) H LYS 85 - HB3 LEU 72 OK 33 94 - 35 - 2116/1.8=6, 2104/3.0=5...(9) Peak 2126 from cnoeabs.peaks (3.85, 1.81, 42.88 ppm; 4.70 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.0=100 HA MET 68 + HB3 LEU 72 OK 83 94 - 88 - 9918/3.4=18, 2117/1.8=14...(38) HA ALA 104 + HB3 LEU 72 OK 67 89 - 75 - ~10172=11, ~9197=11...(20) HB2 SER 127 - HB3 LEU 72 OK 44 96 - 46 - 2117/1.8=6, 1.8/11546=6...(14) Peak 2127 from cnoeabs.peaks (1.17, 1.81, 42.88 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 1.8=100 QD1 LEU 69 + HB3 LEU 72 OK 75 100 - 75 - 9922/4.4=16, 2151/3.1=10...(26) QG2 THR 92 - HB3 LEU 72 OK 44 77 - 58 - ~10229=9, 10084/3.0=8...(18) HG2 LYS 76 - HB3 LEU 72 OK 41 100 - 41 - 2106/3.0=5, 6759/4.4=5...(16) QD1 LEU 26 - HB3 LEU 72 OK 13 72 - 17 - 2106/3.0=2, 6745/3.4=1...(7) Peak 2128 from cnoeabs.peaks (1.81, 1.81, 42.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 72 + HB3 LEU 72 OK 100 100 - 100 Peak 2129 from cnoeabs.peaks (1.78, 1.81, 42.88 ppm; 3.80 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.0=100 HD3 LYS 34 + HB3 LEU 72 OK 47 92 - 51 - 2120/1.8=5, 2153/3.1=4...(23) HD2 LYS 34 - HB3 LEU 72 OK 44 92 - 48 - 2120/1.8=5, 2108/3.0=4...(23) HG2 PRO 57 - HB3 LEU 72 OK 44 100 - 44 - 2120/1.8=5, 6747/3.4=4...(21) HG LEU 39 - HB3 LEU 72 OK 36 77 - 46 - 852/3.4=7, 8134/3.0=6...(20) HB3 LYS 24 - HB3 LEU 72 OK 29 72 - 40 - 1.8/11323=7, ~10880=4...(18) HB3 MET 59 - HB3 LEU 72 OK 27 94 - 29 - 2145/3.2=3, 2120/1.8=3...(13) HB3 ARG 145 - HB3 LEU 72 OK 17 94 - 17 - 4953/4.4=3, 6747/3.4=2...(7) HB3 ARG 55 - HB3 LEU 72 lone 7 85 - 8 - 6761/4.4=1, 2120/1.8=1 Peak 2130 from cnoeabs.peaks (0.76, 1.81, 42.88 ppm; 3.48 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.2=100 QD1 LEU 72 + HB3 LEU 72 OK 99 99 - 100 - 3.1=100 QG2 VAL 73 + HB3 LEU 72 OK 73 96 - 76 - 2179/4.4=17, 9961/3.4=13...(24) QD1 ILE 136 - HB3 LEU 72 OK 41 98 - 42 - 2121/1.8=5, 6748/3.4=3...(18) QD1 LEU 108 - HB3 LEU 72 OK 41 62 - 65 - 2149/3.4=6, 2122/1.8=6...(35) Peak 2131 from cnoeabs.peaks (0.76, 1.81, 42.88 ppm; 3.48 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.1=100 QD2 LEU 72 + HB3 LEU 72 OK 99 99 - 100 - 3.2=100 QG2 VAL 73 + HB3 LEU 72 OK 77 100 - 77 - 2179/4.4=18, 9961/3.4=14...(24) QD1 LEU 108 + HB3 LEU 72 OK 55 81 - 68 - 2149/3.4=7, 2122/1.8=6...(35) QD1 ILE 136 - HB3 LEU 72 OK 42 100 - 42 - 2122/1.8=5, 2147/3.2=3...(18) Peak 2133 from cnoeabs.peaks (8.57, 1.78, 27.00 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 72 + HG LEU 72 OK 99 100 - 99 - 5.3=54, 2141/2.1=31...(42) H ASP 40 + HG LEU 72 OK 55 98 - 57 - 2149/2.1=13, 2141/2.1=12...(15) H LYS 85 - HG LEU 72 OK 27 94 - 28 - 2141/2.1=6, 2149/2.1=6...(6) Peak 2134 from cnoeabs.peaks (3.85, 1.78, 27.00 ppm; 6.35 A): 4 out of 4 assignments used, quality = 1.00: * HA LEU 72 + HG LEU 72 OK 100 100 - 100 - 3.7=100 HA MET 68 + HG LEU 72 OK 84 94 - 89 - 9918/5.3=21, 2117/3.0=17...(22) HA ALA 104 + HG LEU 72 OK 73 89 - 83 - ~10172=20, 2.8/2140=15...(17) HB2 SER 127 + HG LEU 72 OK 47 96 - 49 - ~11546=8, 2126/3.0=7...(12) Peak 2135 from cnoeabs.peaks (1.17, 1.78, 27.00 ppm; 4.38 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 72 + HG LEU 72 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HG LEU 72 OK 76 100 - 76 - 2151/2.1=13, 2143/2.1=13...(26) QG2 THR 92 + HG LEU 72 OK 55 77 - 72 - ~10229=17, ~10230=11...(16) HG2 LYS 76 - HG LEU 72 OK 39 100 - 39 - 2143/2.1=6, 2151/2.1=6...(15) QD1 LEU 26 - HG LEU 72 OK 13 72 - 18 - 2143/2.1=2, 2127/3.0=2...(8) Peak 2136 from cnoeabs.peaks (1.81, 1.78, 27.00 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 72 + HG LEU 72 OK 100 100 - 100 - 3.0=100 HB3 MET 68 - HG LEU 72 OK 41 62 - 65 - ~9912=10, ~9945=7...(30) HB3 LYS 24 - HG LEU 72 OK 28 81 - 35 - 1.8/10880=8, 3.0/11318=5...(12) HB2 ARG 124 - HG LEU 72 OK 28 94 - 29 - 2144/2.1=4, 2152/2.1=4...(11) HB2 MET 11 - HG LEU 72 OK 17 94 - 18 - 2144/2.1=3, 2152/2.1=3...(6) HD3 LYS 86 - HG LEU 72 OK 11 92 - 11 - 2144/2.1=2, 2152/2.1=1...(4) HD3 LYS 36 - HG LEU 72 poor 8 72 - 10 - ~10173=1, 2152/2.1=1, 2144/2.1=1 HB VAL 80 - HG LEU 72 lone 6 89 - 6 - 2152/2.1=1, 2144/2.1=1 HB2 ARG 141 - HG LEU 72 lone 3 62 - 5 - Peak 2137 from cnoeabs.peaks (1.78, 1.78, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 72 + HG LEU 72 OK 100 100 - 100 Peak 2138 from cnoeabs.peaks (0.76, 1.78, 27.00 ppm; 3.28 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 72 + HG LEU 72 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + HG LEU 72 OK 99 99 - 100 - 2.1=100 QG2 VAL 73 + HG LEU 72 OK 62 96 - 65 - ~9948=11, 8595/3.0=9...(22) QD1 ILE 136 - HG LEU 72 OK 38 98 - 39 - 2147/2.1=4, ~4625=4...(16) QD1 LEU 108 - HG LEU 72 OK 37 62 - 59 - 2153=7, 2154/2.1=6...(33) Peak 2139 from cnoeabs.peaks (0.76, 1.78, 27.00 ppm; 3.28 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 72 + HG LEU 72 OK 100 100 - 100 - 2.1=100 QD2 LEU 72 + HG LEU 72 OK 99 99 - 100 - 2.1=100 QG2 VAL 73 + HG LEU 72 OK 66 100 - 66 - ~9948=11, 8595/3.0=10...(22) QD1 LEU 108 + HG LEU 72 OK 50 81 - 61 - 2153=8, 2154/2.1=7...(33) QD1 ILE 136 - HG LEU 72 OK 39 100 - 39 - 2147/2.1=4, ~4625=4...(16) Peak 2140 from cnoeabs.peaks (8.00, 1.78, 27.00 ppm; 5.19 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 73 + HG LEU 72 OK 98 100 - 98 - 2148/2.1=30, 2156/2.1=26...(29) H ALA 104 + HG LEU 72 OK 80 100 - 80 - 2148/2.1=14, ~10172=14...(20) H ARG 140 - HG LEU 72 OK 28 100 - 28 - 2156/2.1=6, 2148/2.1=6...(6) H GLN 47 - HG LEU 72 OK 21 96 - 22 - 2156/2.1=5, 2148/2.1=4...(6) H ARG 145 - HG LEU 72 OK 17 81 - 21 - 2156/2.1=3, 2148/2.1=3...(8) Peak 2141 from cnoeabs.peaks (8.57, 0.76, 22.25 ppm; 3.18 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 72 + QD2 LEU 72 OK 90 100 - 90 - 5.0=26, 2149/2.1=18...(37) H ASP 40 + QD2 LEU 72 OK 37 98 - 38 - 2149/2.1=8, 6280/2.1=6...(11) H LYS 85 - QD2 LEU 72 OK 17 94 - 18 - 2149/2.1=4, 2133/2.1=3...(5) Peak 2142 from cnoeabs.peaks (3.85, 0.76, 22.25 ppm; 2.63 A): 4 out of 4 assignments used, quality = 0.92: * HA LEU 72 + QD2 LEU 72 OK 74 100 - 74 - 3.9=30, 2.9/2141=11...(22) HA MET 68 + QD2 LEU 72 OK 46 94 - 49 - 2142=9, 3.0/8430=6...(18) HA ALA 104 + QD2 LEU 72 OK 31 89 - 34 - ~10172=4, 2150/2.1=4...(16) HB2 SER 127 + QD2 LEU 72 OK 17 96 - 18 - 1.8/9958=3, 2150/2.1=2...(5) Peak 2143 from cnoeabs.peaks (1.17, 0.76, 22.25 ppm; 2.88 A): 2 out of 5 assignments used, quality = 0.97: * HB2 LEU 72 + QD2 LEU 72 OK 93 100 - 93 - 3.2=74, 1.8/2144=15...(28) QD1 LEU 69 + QD2 LEU 72 OK 60 100 - 60 - 8473=9, 2151/2.1=9...(30) QG2 THR 92 - QD2 LEU 72 OK 40 77 - 52 - 9028=9, 9028/2.1=6...(19) HG2 LYS 76 - QD2 LEU 72 OK 30 100 - 31 - 8658/8542=4, 2151/2.1=4...(11) QD1 LEU 26 - QD2 LEU 72 poor 8 72 - 11 - 2143=1 Peak 2144 from cnoeabs.peaks (1.81, 0.76, 22.25 ppm; 2.68 A): 3 out of 9 assignments used, quality = 0.94: * HB3 LEU 72 + QD2 LEU 72 OK 86 100 - 86 - 3.2=59, 1.8/2143=12...(26) HB3 MET 68 + QD2 LEU 72 OK 38 62 - 61 - 1.8/8430=8, ~9912=7...(27) HB2 ARG 124 + QD2 LEU 72 OK 25 94 - 27 - 1.8/11609=4, 2144=3...(10) HB3 LYS 24 - QD2 LEU 72 OK 19 81 - 23 - ~10880=3, 2136/2.1=3...(10) HB2 MET 11 - QD2 LEU 72 OK 16 94 - 17 - 2144=2, 2152/2.1=2...(6) HD3 LYS 86 - QD2 LEU 72 lone 9 92 - 10 - 2144=1, 2152/2.1=1, 2136/2.1=1 HD3 LYS 36 - QD2 LEU 72 lone 6 72 - 9 - HB VAL 80 - QD2 LEU 72 lone 6 89 - 7 - HB2 ARG 141 - QD2 LEU 72 lone 3 62 - 5 - Peak 2145 from cnoeabs.peaks (1.78, 0.76, 22.25 ppm; 2.53 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 72 + QD2 LEU 72 OK 100 100 - 100 - 2.1=100 HD3 LYS 34 - QD2 LEU 72 OK 23 92 - 25 - 1.8/2145=3, 2153/2.1=3...(9) HD2 LYS 34 - QD2 LEU 72 OK 22 92 - 24 - 2145=4, 2153/2.1=2...(8) HG2 PRO 57 - QD2 LEU 72 OK 19 100 - 19 - 2153/2.1=2, 2144=2...(6) HB3 MET 59 - QD2 LEU 72 OK 17 94 - 18 - 2145=4, 1.8/9949=2...(6) HB3 LYS 24 - QD2 LEU 72 OK 13 72 - 19 - ~10880=2, 1.8/2144=2...(8) HG LEU 39 - QD2 LEU 72 OK 13 77 - 17 - 2145=3, 8134/3.9=2...(8) HB3 ARG 145 - QD2 LEU 72 lone 8 94 - 9 - 2145=2 HB3 ARG 55 - QD2 LEU 72 lone 4 85 - 5 - Peak 2146 from cnoeabs.peaks (0.76, 0.76, 22.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 72 + QD2 LEU 72 OK 100 100 - 100 Peak 2147 from cnoeabs.peaks (0.76, 0.76, 22.25 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 72 + QD2 LEU 72 OK 99 99 - 100 Reference assignment not found: QD1 LEU 72 - QD2 LEU 72 Peak 2148 from cnoeabs.peaks (8.00, 0.76, 22.25 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.99: * H VAL 73 + QD2 LEU 72 OK 96 100 - 96 - 2148=31, 3.0/2141=23...(34) H ALA 104 + QD2 LEU 72 OK 65 100 - 65 - ~10172=9, 2156/2.1=8...(21) H ARG 140 - QD2 LEU 72 OK 26 100 - 26 - 2156/2.1=4, 9909/3.2=3...(7) H GLN 47 - QD2 LEU 72 OK 19 96 - 19 - 2156/2.1=3, 2140/2.1=2...(7) H ARG 145 - QD2 LEU 72 OK 12 81 - 14 - 2156/2.1=2, 7896/2.1=2...(7) Peak 2149 from cnoeabs.peaks (8.57, 0.76, 26.47 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.96: * H LEU 72 + QD1 LEU 72 OK 93 100 - 93 - 4.9=31, 2141/2.1=21...(37) H ASP 40 + QD1 LEU 72 OK 42 98 - 44 - 2141/2.1=9, 6280/2.1=7...(11) H LYS 85 - QD1 LEU 72 OK 19 94 - 20 - 2141/2.1=4, 2133/2.1=3...(6) Peak 2150 from cnoeabs.peaks (3.85, 0.76, 26.47 ppm; 3.44 A): 3 out of 4 assignments used, quality = 0.99: * HA LEU 72 + QD1 LEU 72 OK 96 100 - 96 - 3.8=75, 2109/2.1=21...(27) HA MET 68 + QD1 LEU 72 OK 70 94 - 75 - 3.7/9912=19, 2142/2.1=12...(26) HA ALA 104 + QD1 LEU 72 OK 49 89 - 55 - 2.1/10172=14, 2142/2.1=8...(17) HB2 SER 127 - QD1 LEU 72 OK 28 96 - 29 - 2142/2.1=4, 1.8/9957=3...(9) Peak 2151 from cnoeabs.peaks (1.17, 0.76, 26.47 ppm; 2.67 A): 3 out of 5 assignments used, quality = 0.96: * HB2 LEU 72 + QD1 LEU 72 OK 87 100 - 87 - 3.1=61, 1.8/2152=12...(26) QD1 LEU 69 + QD1 LEU 72 OK 56 100 - 56 - 8473=12, 2143/2.1=7...(22) QG2 THR 92 + QD1 LEU 72 OK 36 77 - 46 - 9028=9, 3.2/10230=8...(15) HG2 LYS 76 - QD1 LEU 72 OK 24 100 - 24 - 2143/2.1=3, 8658/8541=3...(7) QD1 LEU 26 - QD1 LEU 72 lone 6 72 - 8 - Peak 2152 from cnoeabs.peaks (1.81, 0.76, 26.47 ppm; 2.84 A): 2 out of 9 assignments used, quality = 0.95: * HB3 LEU 72 + QD1 LEU 72 OK 92 100 - 92 - 3.1=74, 1.8/2151=15...(26) HB3 MET 68 + QD1 LEU 72 OK 37 62 - 60 - 2.9/9912=15, 4.2/8424=6...(28) HB2 ARG 124 - QD1 LEU 72 OK 24 94 - 26 - 2144/2.1=4, 2136/2.1=3...(11) HB3 LYS 24 - QD1 LEU 72 OK 22 81 - 27 - 1.8/9910=4, ~10880=3...(11) HB2 MET 11 - QD1 LEU 72 OK 17 94 - 18 - 2144/2.1=2, 2136/2.1=2...(6) HD3 LYS 86 - QD1 LEU 72 poor 9 92 - 10 - 2144/2.1=1, 2136/2.1=1 HD3 LYS 36 - QD1 LEU 72 poor 7 72 - 10 - 2.9/10173=2 HB VAL 80 - QD1 LEU 72 lone 7 89 - 8 - HB2 ARG 141 - QD1 LEU 72 lone 4 62 - 7 - Peak 2153 from cnoeabs.peaks (1.78, 0.76, 26.47 ppm; 2.65 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 72 + QD1 LEU 72 OK 100 100 - 100 - 2.1=100 HD3 LYS 34 - QD1 LEU 72 OK 24 92 - 26 - 2145/2.1=3, 2120/3.1=2...(7) HD2 LYS 34 - QD1 LEU 72 OK 21 92 - 23 - 2145/2.1=3, 1.8/2152=2...(7) HG2 PRO 57 - QD1 LEU 72 OK 20 100 - 20 - 2145/2.1=3, 2152=2...(7) HB3 MET 59 - QD1 LEU 72 OK 17 94 - 18 - 2145/2.1=3, 1.8/9943=2...(7) HB3 LYS 24 - QD1 LEU 72 OK 16 72 - 22 - 1.8/9910=4, ~10880=3...(11) HG LEU 39 - QD1 LEU 72 OK 14 77 - 18 - 4.7/10227=3, 2145/2.1=2...(7) HB3 ARG 145 - QD1 LEU 72 lone 7 94 - 8 - 2145/2.1=1 HB3 ARG 55 - QD1 LEU 72 lone 3 85 - 4 - Peak 2154 from cnoeabs.peaks (0.76, 0.76, 26.47 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 72 + QD1 LEU 72 OK 99 99 - 100 Reference assignment not found: QD2 LEU 72 - QD1 LEU 72 Peak 2155 from cnoeabs.peaks (0.76, 0.76, 26.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 72 + QD1 LEU 72 OK 100 100 - 100 Peak 2156 from cnoeabs.peaks (8.00, 0.76, 26.47 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.99: * H VAL 73 + QD1 LEU 72 OK 97 100 - 97 - 2148/2.1=27, 3.0/2149=26...(37) H ALA 104 + QD1 LEU 72 OK 75 100 - 75 - 2.9/10172=17...(21) H ARG 140 - QD1 LEU 72 OK 33 100 - 33 - 2148/2.1=5, 2140/2.1=4...(11) H GLN 47 - QD1 LEU 72 OK 27 96 - 28 - 2148/2.1=4, 2140/2.1=3...(10) H ARG 145 - QD1 LEU 72 OK 15 81 - 18 - 2148/2.1=2, 2140/2.1=2...(8) Peak 2157 from cnoeabs.peaks (8.00, 3.19, 65.90 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.0=100 H ARG 140 - HA VAL 73 OK 28 100 - 28 - 2179/3.2=5, 2173/3.2=5...(9) H ALA 104 - HA VAL 73 OK 28 100 - 28 - 2179/3.2=4, 6775/3.6=4...(11) H GLN 47 - HA VAL 73 OK 20 96 - 21 - 2179/3.2=3, 2173/3.2=3...(9) H ARG 145 - HA VAL 73 OK 15 81 - 18 - 3.0/10388=3, 2173/3.2=2...(10) Peak 2158 from cnoeabs.peaks (3.19, 3.19, 65.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 73 + HA VAL 73 OK 100 100 - 100 Peak 2159 from cnoeabs.peaks (2.12, 3.19, 65.90 ppm; 4.29 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.0=100 HB2 GLU 75 + HA VAL 73 OK 83 100 - 83 - 4.4/6802=15, 2175/3.2=14...(24) HG2 GLN 111 - HA VAL 73 OK 22 85 - 26 - 2181/3.2=4, 2175/3.2=4...(12) Peak 2160 from cnoeabs.peaks (0.11, 3.19, 65.90 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.2=100 Peak 2161 from cnoeabs.peaks (0.76, 3.19, 65.90 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * QG2 VAL 73 + HA VAL 73 OK 99 100 - 99 - 3.2=98, 2179/3.0=23...(17) QD1 LEU 72 + HA VAL 73 OK 72 100 - 72 - 2.1/9956=8, 2156/3.0=8...(36) QD2 LEU 72 + HA VAL 73 OK 71 96 - 74 - 9948/3.2=14, 2148/3.0=11...(35) QD1 ILE 136 - HA VAL 73 OK 33 100 - 33 - 9686/8583=7, 4635/3.6=5...(12) QD1 LEU 108 - HA VAL 73 OK 26 89 - 30 - 2156/3.0=5, 2177/3.2=3...(10) Peak 2163 from cnoeabs.peaks (6.79, 3.19, 65.90 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.96: * H LYS 76 + HA VAL 73 OK 90 100 - 90 - 6802=32, 8552/3.2=31...(18) QE TYR 112 + HA VAL 73 OK 58 92 - 63 - ~8553=19, ~8551=18...(13) HD21 ASN 96 - HA VAL 73 OK 16 72 - 21 - 8552/3.2=5, 8554/3.2=4...(7) Peak 2164 from cnoeabs.peaks (1.46, 3.19, 65.90 ppm; 4.35 A): 3 out of 6 assignments used, quality = 0.96: * HB2 LYS 76 + HA VAL 73 OK 76 100 - 76 - 4.0/6802=16...(23) HB3 LYS 123 + HA VAL 73 OK 62 94 - 66 - 3.0/8582=36...(12) HG LEU 126 + HA VAL 73 OK 58 98 - 59 - ~10249=20, ~10338=18...(11) HG2 LYS 48 - HA VAL 73 lone 6 85 - 7 - HB3 LEU 66 - HA VAL 73 lone 6 94 - 6 - HG3 LYS 86 - HA VAL 73 lone 6 85 - 7 - 1.8/10655=1 Peak 2165 from cnoeabs.peaks (1.86, 3.19, 65.90 ppm; 5.16 A): 2 out of 8 assignments used, quality = 0.98: HG LEU 69 + HA VAL 73 OK 88 100 - 88 - ~9922=26, 2.1/8461=17...(25) * HB3 LYS 76 + HA VAL 73 OK 84 100 - 85 - 4.0/6802=22...(23) HB3 LYS 85 - HA VAL 73 OK 22 99 - 22 - 11054/8583=5, 8597/3.2=3...(9) HB2 ARG 144 - HA VAL 73 OK 22 68 - 32 - ~4900=4, 8597/3.2=4...(14) HB2 LYS 93 - HA VAL 73 OK 16 62 - 25 - ~8596=7, ~8596=5...(6) HB2 LYS 36 - HA VAL 73 poor 10 62 - 16 - ~8596=4, ~8596=3...(5) HB3 GLU 28 - HA VAL 73 lone 9 100 - 9 - 8592/3.2=2, 8597/3.2=2 HB2 LYS 48 - HA VAL 73 lone 8 81 - 10 - 8597/3.2=2, 8801/8583=1 Peak 2166 from cnoeabs.peaks (4.33, 2.12, 30.80 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.84: * HA TYR 70 + HB VAL 73 OK 83 100 - 83 - 6754/4.0=36, 2060=35...(10) HA PRO 12 + HB VAL 73 OK 11 100 - 11 - 6754/4.0=4, 6771/4.7=4 HA ILE 56 - HB VAL 73 poor 10 62 - 16 - 6771/4.7=7, 6754/4.0=6 Peak 2167 from cnoeabs.peaks (8.00, 2.12, 30.80 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 73 + HB VAL 73 OK 100 100 - 100 - 4.0=100 H ARG 140 - HB VAL 73 OK 33 100 - 33 - 2179/2.1=7, 2173/2.1=7...(6) H ALA 104 - HB VAL 73 OK 29 100 - 29 - 2179/2.1=6, 2173/2.1=6...(10) H GLN 47 - HB VAL 73 OK 20 96 - 21 - 2173/2.1=4, 2157/3.0=4...(7) H ARG 145 - HB VAL 73 OK 12 81 - 14 - 2157/3.0=3, 2173/2.1=3...(4) Peak 2168 from cnoeabs.peaks (3.19, 2.12, 30.80 ppm; 5.58 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 73 + HB VAL 73 OK 100 100 - 100 - 3.0=100 HD3 ARG 55 - HB VAL 73 OK 42 100 - 43 - 2174/2.1=7, 2180/2.1=7...(9) HD2 ARG 144 - HB VAL 73 OK 38 96 - 39 - 6764/4.0=5, 2180/2.1=5...(12) HD2 ARG 55 - HB VAL 73 OK 37 89 - 41 - ~2174=6, ~2180=6...(9) HD3 ARG 144 - HB VAL 73 OK 36 100 - 36 - 6764/4.0=5, 2180/2.1=5...(11) HD2 ARG 141 - HB VAL 73 poor 9 77 - 12 - 6764/4.0=1, 2180/2.1=1...(5) Peak 2169 from cnoeabs.peaks (2.12, 2.12, 30.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 73 + HB VAL 73 OK 100 100 - 100 Peak 2170 from cnoeabs.peaks (0.11, 2.12, 30.80 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + HB VAL 73 OK 100 100 - 100 - 2.1=100 Peak 2171 from cnoeabs.peaks (0.76, 2.12, 30.80 ppm; 3.87 A): 4 out of 5 assignments used, quality = 1.00: * QG2 VAL 73 + HB VAL 73 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + HB VAL 73 OK 82 100 - 83 - ~9948=16, 2.1/11608=15...(30) QD2 LEU 72 + HB VAL 73 OK 82 96 - 85 - 9948/2.1=25, 11608=17...(29) QD1 LEU 108 + HB VAL 73 OK 46 89 - 51 - 3.8/10220=8, 2156/4.0=7...(24) QD1 ILE 136 - HB VAL 73 OK 44 100 - 44 - 2177/2.1=6, 4635/4.7=5...(15) Peak 2172 from cnoeabs.peaks (8.22, 2.12, 30.80 ppm; 4.91 A): 1 out of 5 assignments used, quality = 1.00: * H THR 74 + HB VAL 73 OK 100 100 - 100 - 4.7=100 H ILE 136 - HB VAL 73 OK 45 98 - 46 - 2184/2.1=11, 2178/2.1=10...(11) H ARG 124 - HB VAL 73 OK 32 89 - 36 - 7557/4.7=9, 9917/3.0=8...(7) H GLY 125 - HB VAL 73 OK 24 94 - 26 - 7559/4.7=6, 2178/2.1=5...(6) H MET 11 - HB VAL 73 lone 2 68 - 3 - Peak 2173 from cnoeabs.peaks (8.00, 0.11, 19.31 ppm; 3.61 A): 1 out of 5 assignments used, quality = 0.98: * H VAL 73 + QG1 VAL 73 OK 98 100 - 98 - 4.0=75, 2179/2.1=37...(28) H ARG 140 - QG1 VAL 73 OK 26 100 - 26 - 2.9/8566=6, 2179/2.1=6...(6) H ALA 104 - QG1 VAL 73 OK 22 100 - 22 - 2179/2.1=5, 2167/2.1=4...(6) H GLN 47 - QG1 VAL 73 OK 15 96 - 16 - 2179/2.1=3, 2167/2.1=3...(5) H ARG 145 - QG1 VAL 73 OK 11 81 - 13 - 2179/2.1=2, 2157/3.2=2...(6) Peak 2174 from cnoeabs.peaks (3.19, 0.11, 19.31 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 73 + QG1 VAL 73 OK 100 100 - 100 - 3.2=98, 3.0/6766=22...(24) HD3 ARG 55 - QG1 VAL 73 OK 26 100 - 26 - 2174=5, 2180/2.1=4...(11) HD2 ARG 55 - QG1 VAL 73 OK 22 89 - 25 - 1.8/2174=4, 2174=4...(11) HD2 ARG 144 - QG1 VAL 73 OK 18 96 - 19 - 2180/2.1=3, 1.8/2174=3...(9) HD3 ARG 144 - QG1 VAL 73 OK 18 100 - 18 - 2180/2.1=3, 2174=3...(8) HD2 ARG 141 - QG1 VAL 73 lone 5 77 - 6 - 2174=1 Peak 2175 from cnoeabs.peaks (2.12, 0.11, 19.31 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 73 + QG1 VAL 73 OK 100 100 - 100 - 2.1=100 HB2 GLU 75 + QG1 VAL 73 OK 73 100 - 73 - 4.4/8552=13, 2181/2.1=12...(24) HG2 GLN 111 - QG1 VAL 73 OK 18 85 - 21 - 2175=4, 2181/2.1=3...(10) Peak 2176 from cnoeabs.peaks (0.11, 0.11, 19.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + QG1 VAL 73 OK 100 100 - 100 Peak 2177 from cnoeabs.peaks (0.76, 0.11, 19.31 ppm; 2.63 A): 3 out of 5 assignments used, quality = 1.00: * QG2 VAL 73 + QG1 VAL 73 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + QG1 VAL 73 OK 54 100 - 54 - 2177=10, 2.1/9948=7...(27) QD2 LEU 72 + QG1 VAL 73 OK 52 96 - 54 - 9948=8, 2.1/2177=6...(26) QD1 ILE 136 - QG1 VAL 73 OK 30 100 - 30 - 2177=6, 9686/9598=3...(12) QD1 LEU 108 - QG1 VAL 73 OK 28 89 - 31 - 2177=6, 2.1/2177=3...(8) Peak 2178 from cnoeabs.peaks (8.22, 0.11, 19.31 ppm; 3.87 A): 1 out of 5 assignments used, quality = 0.98: * H THR 74 + QG1 VAL 73 OK 98 100 - 98 - 4.4=70, 2184/2.1=34...(27) H ILE 136 - QG1 VAL 73 OK 41 98 - 42 - 2184/2.1=8, 9680/8587=7...(15) H ARG 124 - QG1 VAL 73 OK 32 89 - 36 - 4.8/8586=8, 7557/4.4=6...(11) H GLY 125 - QG1 VAL 73 OK 21 94 - 22 - 7559/4.4=4, 2184/2.1=3...(8) H MET 11 - QG1 VAL 73 lone 2 68 - 3 - Peak 2179 from cnoeabs.peaks (8.00, 0.76, 23.82 ppm; 3.10 A): 4 out of 5 assignments used, quality = 0.95: * H VAL 73 + QG2 VAL 73 OK 91 100 - 91 - 3.9=49, 6766/2.1=27...(20) H ARG 140 + QG2 VAL 73 OK 21 100 - 21 - 2173/2.1=4, 2.9/8574=4...(6) H ALA 104 + QG2 VAL 73 OK 20 100 - 20 - 2173/2.1=3, 2167/2.1=3...(8) H GLN 47 + QG2 VAL 73 OK 12 96 - 12 - 2173/2.1=2, 2157/3.2=2 H ARG 145 - QG2 VAL 73 lone 7 81 - 9 - 2173/2.1=2, 2157/3.2=1...(4) Peak 2180 from cnoeabs.peaks (3.19, 0.76, 23.82 ppm; 3.19 A): 1 out of 6 assignments used, quality = 0.99: * HA VAL 73 + QG2 VAL 73 OK 99 100 - 99 - 3.2=99 HD3 ARG 55 - QG2 VAL 73 OK 25 100 - 25 - 2180=5, 2174/2.1=4...(9) HD2 ARG 55 - QG2 VAL 73 OK 21 89 - 23 - 2180=4, 1.8/2180=4...(9) HD2 ARG 144 - QG2 VAL 73 OK 19 96 - 19 - 2174/2.1=3, 1.8/2180=3...(10) HD3 ARG 144 - QG2 VAL 73 OK 19 100 - 18 - 2174/2.1=3, 2180=3...(9) HD2 ARG 141 - QG2 VAL 73 lone 5 77 - 7 - 2180=1 Peak 2181 from cnoeabs.peaks (2.12, 0.76, 23.82 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 73 + QG2 VAL 73 OK 100 100 - 100 - 2.1=100 HB2 GLU 75 + QG2 VAL 73 OK 70 100 - 71 - 2175/2.1=13, 2181=11...(20) HG2 GLN 111 - QG2 VAL 73 OK 18 85 - 22 - 2181=4, 2175/2.1=3...(9) Peak 2182 from cnoeabs.peaks (0.11, 0.76, 23.82 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + QG2 VAL 73 OK 100 100 - 100 - 2.1=100 Peak 2183 from cnoeabs.peaks (0.76, 0.76, 23.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 73 + QG2 VAL 73 OK 100 100 - 100 Peak 2184 from cnoeabs.peaks (8.22, 0.76, 23.82 ppm; 4.09 A): 2 out of 5 assignments used, quality = 1.00: * H THR 74 + QG2 VAL 73 OK 99 100 - 99 - 4.4=83, 6778/2.1=40...(24) H ILE 136 + QG2 VAL 73 OK 50 98 - 51 - 7751=8, 2178/2.1=8...(13) H ARG 124 - QG2 VAL 73 OK 32 89 - 36 - 7557/4.4=7, 2178/2.1=6...(6) H GLY 125 - QG2 VAL 73 OK 20 94 - 21 - 7559/4.4=5, 2178/2.1=4...(5) H MET 11 - QG2 VAL 73 lone 2 68 - 3 - Peak 2185 from cnoeabs.peaks (8.22, 3.40, 66.33 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * H THR 74 + HA THR 74 OK 100 100 - 100 - 3.0=100 H ILE 136 - HA THR 74 OK 41 98 - 42 - 2.9/2187=7, 2191/3.0=7...(17) H ARG 124 - HA THR 74 OK 34 89 - 38 - 7557/3.0=10, 6790/3.6=5...(12) H GLY 125 - HA THR 74 OK 26 94 - 27 - 7559/3.0=7, 6790/3.6=4...(9) H MET 11 - HA THR 74 lone 2 68 - 2 - Peak 2186 from cnoeabs.peaks (3.40, 3.40, 66.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 74 + HA THR 74 OK 100 100 - 100 Peak 2187 from cnoeabs.peaks (3.71, 3.40, 66.33 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 74 + HA THR 74 OK 100 100 - 100 - 3.0=100 HA ILE 136 - HA THR 74 OK 27 92 - 29 - 6781/3.0=6, 2.9/2185=4...(11) HA LEU 108 - HA THR 74 OK 19 96 - 20 - 3.6/8559=4, 6781/3.0=3...(7) HA ILE 91 - HA THR 74 poor 9 68 - 14 - 6781/3.0=3, ~2955=2...(5) HA THR 107 - HA THR 74 lone 7 99 - 7 - 6781/3.0=1, 6792/3.6=1 Peak 2188 from cnoeabs.peaks (0.78, 3.40, 66.33 ppm; 3.21 A): 3 out of 5 assignments used, quality = 1.00: * QG2 THR 74 + HA THR 74 OK 100 100 - 100 - 3.2=100 QD2 LEU 126 + HA THR 74 OK 69 94 - 73 - 2.1/9493=20, 2197=10...(28) QD1 LEU 79 + HA THR 74 OK 47 100 - 47 - 6782/3.0=7, 2197=6...(18) QD2 LEU 95 - HA THR 74 OK 14 96 - 14 - 6793/3.6=2, 8700/8692=2...(4) QG1 VAL 80 - HA THR 74 lone 5 72 - 7 - 4304/9493=1 Peak 2189 from cnoeabs.peaks (8.41, 3.40, 66.33 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 75 + HA THR 74 OK 100 100 - 100 - 3.6=100 H TYR 117 - HA THR 74 OK 12 81 - 14 - 6783/3.0=3, 2195/3.0=3...(5) H GLY 31 - HA THR 74 lone 4 81 - 5 - 6783/3.0=1, 2195/3.0=1 H LYS 61 - HA THR 74 lone 4 72 - 5 - 3.7/8313=2 H SER 103 - HA THR 74 lone 2 72 - 3 - 6783/3.0=1 Peak 2190 from cnoeabs.peaks (2.97, 3.71, 68.35 ppm; 6.02 A): 3 out of 5 assignments used, quality = 0.92: * HA VAL 71 + HB THR 74 OK 83 100 - 83 - 2083/4.0=39, 6786/4.7=23...(13) HA VAL 82 + HB THR 74 OK 47 85 - 55 - 6772/4.0=12, ~11037=11...(12) HB2 ASP 30 + HB THR 74 OK 13 96 - 14 - 6786/4.7=5, 6772/4.0=3...(4) HB3 TYR 27 - HB THR 74 lone 6 100 - 6 - 6786/4.7=2, 6772/4.0=2 HB3 ASN 128 - HB THR 74 lone 2 72 - 3 - Peak 2191 from cnoeabs.peaks (8.22, 3.71, 68.35 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * H THR 74 + HB THR 74 OK 100 100 - 100 - 4.0=100 H ILE 136 - HB THR 74 OK 44 98 - 45 - 2185/3.0=6, 7746=6...(17) H ARG 124 - HB THR 74 OK 27 89 - 31 - 7557/4.0=8, 9488/2.8=5...(7) H GLY 125 - HB THR 74 OK 19 94 - 20 - 7559/4.0=6, 2185/3.0=4...(5) H MET 11 - HB THR 74 lone 1 68 - 2 - Peak 2192 from cnoeabs.peaks (3.40, 3.71, 68.35 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 74 + HB THR 74 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 - HB THR 74 OK 34 89 - 39 - 6780/4.0=6, 2197/2.1=5...(14) Peak 2193 from cnoeabs.peaks (3.71, 3.71, 68.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 74 + HB THR 74 OK 100 100 - 100 Peak 2194 from cnoeabs.peaks (0.78, 3.71, 68.35 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * QG2 THR 74 + HB THR 74 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 + HB THR 74 OK 66 94 - 70 - 2.1/9492=19, ~9493=10...(25) QD1 LEU 79 + HB THR 74 OK 47 100 - 47 - 2.1/8605=7, 2198=5...(21) QD2 LEU 95 - HB THR 74 OK 13 96 - 13 - 2188/3.0=1, ~3148=1, 6793/4.7=1 QG1 VAL 80 - HB THR 74 lone 6 72 - 8 - 4304/9492=1 Peak 2195 from cnoeabs.peaks (8.41, 3.71, 68.35 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.99: * H GLU 75 + HB THR 74 OK 99 100 - 99 - 4.7=97, 6790/4.0=22...(15) H TYR 117 - HB THR 74 OK 11 81 - 14 - 2189/3.0=4, 6783/4.0=3...(5) H GLY 31 - HB THR 74 lone 5 81 - 6 - 4.4/2190=2, 2189/3.0=1 H LYS 61 - HB THR 74 lone 3 72 - 4 - 2189/3.0=1 H SER 103 - HB THR 74 lone 2 72 - 3 - 6783/4.0=1 Peak 2196 from cnoeabs.peaks (8.22, 0.78, 22.22 ppm; 2.97 A): 5 out of 15 assignments used, quality = 0.93: * H THR 74 + QG2 THR 74 OK 72 100 - 72 - 4.0=40, 8610/3.0=11...(18) H THR 74 + QD2 LEU 126 OK 38 68 - 56 - 6782=14, 9496/2.1=12...(15) H THR 74 + QD1 LEU 79 OK 29 67 - 43 - 6782=11, 8601/2.1=7...(11) H GLY 125 + QD2 LEU 126 OK 28 59 - 47 - 9489/2.1=8, 7569/4.8=8...(19) H ARG 124 + QD2 LEU 126 OK 24 54 - 43 - ~10259=7, ~10342=6...(15) H ILE 136 - QG2 THR 74 OK 20 98 - 20 - 2191/2.1=4, 2185/3.2=3...(8) H ARG 124 - QG2 THR 74 OK 19 89 - 22 - 7557/4.0=4, 9488/3.0=3...(8) H ILE 136 - QD1 LEU 79 OK 18 63 - 29 - 9680/2.1=11, ~9631=8...(4) H GLY 125 - QG2 THR 74 OK 16 94 - 17 - 7559/4.0=3, 4.6/7579=2...(7) H ARG 124 - QD1 LEU 79 OK 12 54 - 23 - 3.0/10673=3, 4.9/11070=3...(8) H GLY 125 - QD1 LEU 79 poor 9 59 - 16 - 4.9/11070=3, 3.6/10673=3...(6) H ILE 136 - QD2 LEU 126 poor 8 64 - 12 - 3.7/9627=3, 3.1/9630=2...(4) H MET 11 - QG2 THR 74 lone 1 68 - 2 - H MET 11 - QD1 LEU 79 lone 1 38 - 2 - H MET 11 - QD2 LEU 126 lone 1 39 - 2 - Peak 2197 from cnoeabs.peaks (3.40, 0.78, 22.22 ppm; 3.21 A): 2 out of 6 assignments used, quality = 1.00: * HA THR 74 + QG2 THR 74 OK 100 100 - 100 - 3.2=100 HA THR 74 + QD2 LEU 126 OK 50 68 - 73 - 9493/2.1=19, 2188=15...(28) HB3 TYR 112 - QG2 THR 74 OK 33 89 - 38 - 2192/2.1=7, 2197=5...(15) HA THR 74 - QD1 LEU 79 OK 33 67 - 49 - 2188=10, 3.0/6782=7...(18) HB3 TYR 112 - QD1 LEU 79 OK 27 54 - 51 - ~8717=12, ~8717=11...(11) HB3 TYR 112 - QD2 LEU 126 OK 16 54 - 29 - ~9303=9, ~9303=5...(7) Peak 2198 from cnoeabs.peaks (3.71, 0.78, 22.22 ppm; 2.81 A): 1 out of 15 assignments used, quality = 1.00: * HB THR 74 + QG2 THR 74 OK 100 100 - 100 - 2.1=100 HB THR 74 - QD2 LEU 126 OK 41 68 - 60 - 9492/2.1=15, 2194=10...(23) HB THR 74 - QD1 LEU 79 OK 26 67 - 39 - 2194=7, 8605/2.1=5...(18) HA ILE 136 - QG2 THR 74 OK 18 92 - 20 - 2198=3, 2187/3.2=3...(7) HA ILE 91 - QG2 THR 74 OK 13 68 - 19 - 4.2/8615=3, 2198=3...(9) HA LEU 108 - QG2 THR 74 OK 12 96 - 12 - 2187/3.2=2, 6781/4.0=1...(4) HA ILE 136 - QD1 LEU 79 poor 6 56 - 11 - ~9680=5, 2.9/2196=1, 2198=1 HA THR 107 - QG2 THR 74 lone 6 99 - 6 - 2198=1 HA LEU 108 - QD1 LEU 79 lone 6 61 - 10 - 4.9/9271=3, 3.6/9934=1 HA ILE 136 - QD2 LEU 126 lone 4 57 - 6 - 9492/2.1=2 HA ILE 91 - QD1 LEU 79 lone 4 38 - 10 - ~8737=2, 5.0/8957=1, 2.9/8959=1 HA THR 107 - QD1 LEU 79 lone 3 64 - 5 - ~9247=2 HA LEU 108 - QD2 LEU 126 lone 3 62 - 4 - 9492/2.1=2 HA THR 107 - QD2 LEU 126 lone 1 65 - 2 - 9492/2.1=1 HA ILE 91 - QD2 LEU 126 lone 1 39 - 3 - 9492/2.1=1 Peak 2199 from cnoeabs.peaks (0.78, 0.78, 22.22 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 THR 74 + QG2 THR 74 OK 100 100 - 100 QD1 LEU 79 + QD1 LEU 79 OK 66 66 - 100 QD2 LEU 126 + QD2 LEU 126 OK 59 59 - 100 Peak 2200 from cnoeabs.peaks (8.41, 0.78, 22.22 ppm; 3.56 A): 4 out of 15 assignments used, quality = 0.92: * H GLU 75 + QG2 THR 74 OK 82 100 - 82 - 4.3=55, 2195/2.1=18...(12) H GLU 75 + QD2 LEU 126 OK 33 68 - 49 - 6793=12, ~9496=11...(9) H GLU 75 + QD1 LEU 79 OK 25 67 - 38 - 6793=10, 3.2/6782=7...(8) H TYR 117 + QD1 LEU 79 OK 12 48 - 26 - 10300/2.1=11, 4.5/9979=6...(4) H TYR 117 - QG2 THR 74 poor 9 81 - 12 - 2195/2.1=2, 2189/3.2=2...(4) H LYS 61 - QD1 LEU 79 poor 5 41 - 11 - ~8728=3, 3.8/10290=2, ~8728=1 H TYR 117 - QD2 LEU 126 lone 3 48 - 7 - 10300/2.1=3 H GLY 31 - QG2 THR 74 lone 3 81 - 4 - H LYS 61 - QG2 THR 74 lone 2 72 - 3 - H GLY 31 - QD1 LEU 79 lone 2 48 - 4 - ~8728=1 H SER 103 - QG2 THR 74 lone 2 72 - 2 - H LYS 61 - QD2 LEU 126 lone 1 42 - 1 - H GLY 31 - QD2 LEU 126 lone 0 48 - 1 - H SER 103 - QD2 LEU 126 lone 0 42 - 1 - H SER 103 - QD1 LEU 79 lone 0 41 - 1 - Peak 2201 from cnoeabs.peaks (8.41, 3.98, 59.14 ppm; 3.16 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 - 100 - 2.9=100 H TYR 117 - HA GLU 75 OK 12 81 - 15 - 2209/3.0=4, 2217/3.0=4...(5) H LYS 61 - HA GLU 75 lone 6 72 - 8 - 2209/3.0=1, 2217/3.0=1...(4) H SER 103 - HA GLU 75 lone 4 72 - 5 - 2217/3.0=1 H GLY 31 - HA GLU 75 lone 3 81 - 3 - Peak 2202 from cnoeabs.peaks (3.98, 3.98, 59.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 2203 from cnoeabs.peaks (2.12, 3.98, 59.14 ppm; 3.02 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.0=100 HB VAL 73 + HA GLU 75 OK 54 100 - 54 - 6795/2.9=10, 2219/3.0=8...(18) HG2 GLN 111 - HA GLU 75 OK 10 92 - 11 - 2219/3.0=2, ~3649=1...(5) Peak 2204 from cnoeabs.peaks (1.98, 3.98, 59.14 ppm; 2.99 A): 1 out of 7 assignments used, quality = 0.99: * HB3 GLU 75 + HA GLU 75 OK 99 100 - 99 - 3.0=99 HB2 GLU 142 - HA GLU 75 OK 27 92 - 29 - 2212/3.0=5, 2227/3.9=4...(12) HB3 ARG 124 - HA GLU 75 OK 20 100 - 20 - 6796/2.9=5, 2212/3.0=3...(6) HB VAL 63 - HA GLU 75 poor 8 68 - 11 - ~9867=2, 2212/3.0=2...(4) QE MET 59 - HA GLU 75 lone 4 72 - 6 - 10569/9258=1 HB2 LYS 34 - HA GLU 75 lone 2 72 - 3 - HB3 MET 11 - HA GLU 75 lone 2 68 - 2 - Peak 2205 from cnoeabs.peaks (2.20, 3.98, 59.14 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.96: * HG2 GLU 75 + HA GLU 75 OK 96 100 - 96 - 3.9=63, 1.8/2232=23...(23) HB2 MET 113 - HA GLU 75 OK 18 100 - 18 - 6797/2.9=5, 2221/3.0=4...(6) HB2 MET 46 - HA GLU 75 OK 15 100 - 15 - 2213/3.0=4, 2221/3.0=3...(5) HB3 PRO 57 - HA GLU 75 OK 14 68 - 21 - ~11514=5, 2213/3.0=4...(7) Peak 2206 from cnoeabs.peaks (2.29, 3.98, 59.14 ppm; 3.37 A): 1 out of 7 assignments used, quality = 0.97: * HG3 GLU 75 + HA GLU 75 OK 97 100 - 97 - 3.9=65, 1.8/2225=31...(25) HG2 GLU 120 - HA GLU 75 OK 34 85 - 40 - 1.8/2232=7, 2214/3.0=6...(13) HG3 GLU 142 - HA GLU 75 OK 17 62 - 27 - 3.0/2204=6, ~4854=3...(12) HG3 GLU 81 - HA GLU 75 OK 13 100 - 13 - 6810/3.6=2, 2214/3.0=2...(5) HG2 GLN 62 - HA GLU 75 lone 8 100 - 8 - 2222/3.0=1, 2214/3.0=1 HG3 GLN 62 - HA GLU 75 lone 8 100 - 8 - 2222/3.0=1, 2214/3.0=1 HG2 GLU 131 - HA GLU 75 lone 3 62 - 5 - 6810/3.6=1 Peak 2207 from cnoeabs.peaks (6.79, 3.98, 59.14 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 76 + HA GLU 75 OK 100 100 - 100 - 3.6=100 QE TYR 112 - HA GLU 75 OK 32 92 - 35 - 6799/2.9=9, 2223/3.0=7...(7) HD21 ASN 96 - HA GLU 75 lone 7 72 - 10 - 2215/3.0=2, 6799/2.9=2...(5) Peak 2208 from cnoeabs.peaks (3.85, 2.12, 28.78 ppm; 3.60 A): 4 out of 4 assignments used, quality = 0.92: * HA LEU 72 + HB2 GLU 75 OK 67 100 - 68 - 2216/1.8=17, 2113=16...(16) HB2 SER 127 + HB2 GLU 75 OK 56 96 - 58 - 2216/1.8=11, 1.8/2210=11...(15) HA MET 68 + HB2 GLU 75 OK 24 94 - 25 - 2216/1.8=7, 8645/3.0=4...(7) HA ALA 104 + HB2 GLU 75 OK 24 89 - 27 - 2216/1.8=5, 8645/3.0=4...(8) Peak 2209 from cnoeabs.peaks (8.41, 2.12, 28.78 ppm; 3.02 A): 2 out of 5 assignments used, quality = 0.92: * H GLU 75 + HB2 GLU 75 OK 90 100 - 90 - 3.9=48, 2217/1.8=25...(23) H TYR 117 + HB2 GLU 75 OK 14 81 - 17 - 2217/1.8=4, 2224/3.0=3...(7) H LYS 61 - HB2 GLU 75 lone 7 72 - 9 - 2217/1.8=2, 2224/3.0=2...(4) H SER 103 - HB2 GLU 75 lone 4 72 - 5 - 2217/1.8=2 H GLY 31 - HB2 GLU 75 lone 3 81 - 4 - Peak 2210 from cnoeabs.peaks (3.98, 2.12, 28.78 ppm; 3.01 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 HB3 SER 127 - HB2 GLU 75 OK 39 85 - 45 - 2218/1.8=9, 1.8/2208=8...(13) HA3 GLY 143 - HB2 GLU 75 lone 10 98 - 10 - 2218/1.8=2, ~7866=2...(4) HB3 SER 103 - HB2 GLU 75 lone 5 62 - 9 - ~10153=4, 2218/1.8=1 Peak 2211 from cnoeabs.peaks (2.12, 2.12, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 Peak 2212 from cnoeabs.peaks (1.98, 2.12, 28.78 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 1.8=100 HB2 GLU 142 - HB2 GLU 75 OK 23 92 - 26 - 2227/3.0=3, 2204/3.0=3...(12) HB3 ARG 124 - HB2 GLU 75 OK 16 100 - 16 - 6796/3.9=2, 2204/3.0=2...(7) HB VAL 63 - HB2 GLU 75 poor 9 68 - 13 - 2.1/9867=3, 2.1/9872=1...(4) QE MET 59 - HB2 GLU 75 lone 3 72 - 5 - HB2 LYS 34 - HB2 GLU 75 lone 2 72 - 3 - HB3 MET 11 - HB2 GLU 75 lone 1 68 - 2 - Peak 2213 from cnoeabs.peaks (2.20, 2.12, 28.78 ppm; 2.75 A): 1 out of 4 assignments used, quality = 0.96: * HG2 GLU 75 + HB2 GLU 75 OK 96 100 - 96 - 3.0=79, 1.8/2233=22...(25) HB2 MET 46 - HB2 GLU 75 OK 20 100 - 20 - 4.2/10689=6, 2221/1.8=4...(6) HB3 PRO 57 - HB2 GLU 75 OK 17 68 - 26 - 1.8/11514=6, 2221/1.8=4...(7) HB2 MET 113 - HB2 GLU 75 OK 17 100 - 17 - 2221/1.8=4, 6797/3.9=2...(6) Peak 2214 from cnoeabs.peaks (2.29, 2.12, 28.78 ppm; 2.98 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 HG2 GLU 120 - HB2 GLU 75 OK 39 85 - 46 - 2222/1.8=7, 1.8/2233=6...(19) HG3 GLU 142 - HB2 GLU 75 OK 19 62 - 30 - 3.0/2212=5, ~4854=4...(10) HG3 GLU 81 - HB2 GLU 75 OK 16 100 - 16 - 2222/1.8=3, 2229/3.0=2...(7) HG2 GLN 62 - HB2 GLU 75 lone 8 100 - 8 - 2222/1.8=1 HG3 GLN 62 - HB2 GLU 75 lone 8 100 - 8 - 2222/1.8=1 HG2 GLU 131 - HB2 GLU 75 lone 3 62 - 4 - Peak 2215 from cnoeabs.peaks (6.79, 2.12, 28.78 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.94: * H LYS 76 + HB2 GLU 75 OK 91 100 - 91 - 4.4=61, 2223/1.8=28...(17) QE TYR 112 + HB2 GLU 75 OK 32 92 - 35 - 2223/1.8=9, 6799/3.9=6...(9) HD21 ASN 96 - HB2 GLU 75 poor 8 72 - 11 - 2223/1.8=2, 2230/3.0=2...(5) Peak 2216 from cnoeabs.peaks (3.85, 1.98, 28.78 ppm; 3.69 A): 4 out of 4 assignments used, quality = 0.93: * HA LEU 72 + HB3 GLU 75 OK 69 100 - 69 - 2114=20, 2208/1.8=19...(16) HB2 SER 127 + HB3 GLU 75 OK 58 96 - 60 - 2208/1.8=12, 1.8/2218=11...(15) HA MET 68 + HB3 GLU 75 OK 27 94 - 28 - 2208/1.8=7, 8438/8638=6...(7) HA ALA 104 + HB3 GLU 75 OK 24 89 - 27 - 2208/1.8=5, 8645/3.0=4...(9) Peak 2217 from cnoeabs.peaks (8.41, 1.98, 28.78 ppm; 3.04 A): 2 out of 5 assignments used, quality = 0.90: * H GLU 75 + HB3 GLU 75 OK 88 100 - 88 - 3.9=48, 2209/1.8=26...(18) H TYR 117 + HB3 GLU 75 OK 13 81 - 16 - 2209/1.8=4, 2224/3.0=3...(6) H LYS 61 - HB3 GLU 75 lone 7 72 - 9 - 2209/1.8=2, 2224/3.0=2...(4) H SER 103 - HB3 GLU 75 lone 5 72 - 7 - 4.1/10153=3, 2209/1.8=1 H GLY 31 - HB3 GLU 75 lone 3 81 - 3 - Peak 2218 from cnoeabs.peaks (3.98, 1.98, 28.78 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.98: * HA GLU 75 + HB3 GLU 75 OK 98 100 - 98 - 3.0=92, 2225/3.0=17...(33) HB3 SER 127 - HB3 GLU 75 OK 37 85 - 43 - 2210/1.8=8, 1.8/2216=7...(13) HA3 GLY 143 - HB3 GLU 75 OK 10 98 - 10 - 3.0/7866=3, 2210/1.8=2...(4) HB3 SER 103 - HB3 GLU 75 lone 5 62 - 8 - 1.8/10153=4, 2210/1.8=1 Peak 2219 from cnoeabs.peaks (2.12, 1.98, 28.78 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 1.8=100 HB VAL 73 - HB3 GLU 75 OK 44 100 - 44 - 2203/3.0=5, 2226/3.0=5...(20) HG2 GLN 111 - HB3 GLU 75 lone 9 92 - 9 - ~3649=1, ~3649=1...(4) Peak 2220 from cnoeabs.peaks (1.98, 1.98, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 Peak 2221 from cnoeabs.peaks (2.20, 1.98, 28.78 ppm; 2.83 A): 1 out of 4 assignments used, quality = 0.98: * HG2 GLU 75 + HB3 GLU 75 OK 98 100 - 98 - 3.0=86, 2226/1.8=26...(29) HB3 PRO 57 - HB3 GLU 75 OK 18 68 - 27 - ~11514=5, 2213/1.8=5...(7) HB2 MET 113 - HB3 GLU 75 OK 18 100 - 18 - 2213/1.8=4, 6797/3.9=2...(6) HB2 MET 46 - HB3 GLU 75 OK 18 100 - 18 - 2213/1.8=5, 2205/3.0=2...(5) Peak 2222 from cnoeabs.peaks (2.29, 1.98, 28.78 ppm; 2.85 A): 1 out of 7 assignments used, quality = 0.98: * HG3 GLU 75 + HB3 GLU 75 OK 98 100 - 98 - 3.0=88, 2233/1.8=23...(28) HG2 GLU 120 - HB3 GLU 75 OK 35 85 - 41 - 2214/1.8=6, 1.8/2234=5...(15) HG3 GLU 142 - HB3 GLU 75 OK 20 62 - 32 - 1.8/4854=6, 3.0/4847=4...(12) HG3 GLU 81 - HB3 GLU 75 OK 13 100 - 13 - 2214/1.8=3, 2229/3.0=2...(6) HG2 GLN 62 - HB3 GLU 75 lone 7 100 - 7 - 2214/1.8=1 HG3 GLN 62 - HB3 GLU 75 lone 7 100 - 7 - 2214/1.8=1 HG2 GLU 131 - HB3 GLU 75 lone 3 62 - 5 - Peak 2223 from cnoeabs.peaks (6.79, 1.98, 28.78 ppm; 3.54 A): 2 out of 3 assignments used, quality = 0.93: * H LYS 76 + HB3 GLU 75 OK 90 100 - 90 - 4.4=53, 2215/1.8=23...(18) QE TYR 112 + HB3 GLU 75 OK 29 92 - 32 - 2215/1.8=8, 6799/3.9=6...(7) HD21 ASN 96 - HB3 GLU 75 lone 7 72 - 9 - 2215/1.8=2, 2230/3.0=1...(5) Peak 2224 from cnoeabs.peaks (8.41, 2.20, 36.56 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.89: * H GLU 75 + HG2 GLU 75 OK 87 100 - 87 - 6797=28, 2231/1.8=24...(16) H TYR 117 + HG2 GLU 75 OK 15 81 - 18 - 2209/3.0=4, 2217/3.0=4...(5) H LYS 61 - HG2 GLU 75 poor 9 72 - 12 - 8295/8632=3, 2231/1.8=2...(5) H SER 103 - HG2 GLU 75 lone 4 72 - 5 - 2217/3.0=1, 2231/1.8=1 H GLY 31 - HG2 GLU 75 lone 4 81 - 4 - Peak 2225 from cnoeabs.peaks (3.98, 2.20, 36.56 ppm; 3.04 A): 2 out of 4 assignments used, quality = 0.94: * HA GLU 75 + HG2 GLU 75 OK 91 100 - 91 - 3.9=48, 2232/1.8=20...(21) HB3 SER 127 + HG2 GLU 75 OK 33 85 - 39 - 1.8/8645=8, 2232/1.8=7...(9) HA3 GLY 143 - HG2 GLU 75 lone 8 98 - 8 - 2232/1.8=2, 2218/3.0=2...(4) HB3 SER 103 - HG2 GLU 75 lone 4 62 - 7 - ~10153=3 Peak 2226 from cnoeabs.peaks (2.12, 2.20, 36.56 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.93: * HB2 GLU 75 + HG2 GLU 75 OK 89 100 - 89 - 3.0=59, 2233/1.8=19...(25) HB VAL 73 + HG2 GLU 75 OK 35 100 - 35 - 2233/1.8=8, 2219/3.0=5...(15) HG2 GLN 111 - HG2 GLU 75 lone 7 92 - 8 - 2233/1.8=2, 2219/3.0=1 Peak 2227 from cnoeabs.peaks (1.98, 2.20, 36.56 ppm; 2.75 A): 1 out of 7 assignments used, quality = 0.96: * HB3 GLU 75 + HG2 GLU 75 OK 96 100 - 96 - 3.0=78, 1.8/2226=24...(28) HB2 GLU 142 - HG2 GLU 75 OK 25 92 - 27 - 2212/3.0=4, 2234/1.8=4...(9) HB3 ARG 124 - HG2 GLU 75 OK 17 100 - 17 - 2234/1.8=3, 2212/3.0=2...(6) HB VAL 63 - HG2 GLU 75 OK 12 68 - 17 - 2.1/9873=3, 2.1/9830=2...(7) QE MET 59 - HG2 GLU 75 lone 3 72 - 5 - HB2 LYS 34 - HG2 GLU 75 lone 2 72 - 3 - HB3 MET 11 - HG2 GLU 75 lone 2 68 - 2 - Peak 2228 from cnoeabs.peaks (2.20, 2.20, 36.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 Peak 2229 from cnoeabs.peaks (2.29, 2.20, 36.56 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 75 + HG2 GLU 75 OK 100 100 - 100 - 1.8=100 HG2 GLU 120 - HG2 GLU 75 OK 24 85 - 28 - 1.8/2235=4, 2235=4...(12) HG3 GLU 142 - HG2 GLU 75 OK 12 62 - 19 - 3.0/2227=3, 2222/3.0=2...(5) HG3 GLU 81 - HG2 GLU 75 lone 9 100 - 9 - ~2460=1, 2214/3.0=1...(4) HG2 GLN 62 - HG2 GLU 75 lone 4 100 - 4 - HG3 GLN 62 - HG2 GLU 75 lone 4 100 - 4 - HG2 GLU 131 - HG2 GLU 75 lone 2 62 - 3 - Peak 2230 from cnoeabs.peaks (6.79, 2.20, 36.56 ppm; 4.21 A): 2 out of 3 assignments used, quality = 0.94: * H LYS 76 + HG2 GLU 75 OK 91 100 - 91 - 3.6/2225=28, 2223/3.0=26...(20) QE TYR 112 + HG2 GLU 75 OK 35 92 - 39 - 2237/1.8=9, 2223/3.0=8...(9) HD21 ASN 96 - HG2 GLU 75 poor 9 72 - 12 - 2237/1.8=2, 2215/3.0=2...(5) Peak 2231 from cnoeabs.peaks (8.41, 2.29, 36.56 ppm; 3.27 A): 3 out of 10 assignments used, quality = 0.90: * H GLU 75 + HG3 GLU 75 OK 87 100 - 87 - 6798=30, 2224/1.8=25...(15) H TYR 117 + HG3 GLU 75 OK 15 81 - 18 - 2224/1.8=5, 2209/3.0=4...(6) H GLU 75 + HG2 GLU 120 OK 11 38 - 28 - 6798=8, 2.9/2206=5...(8) H LYS 61 - HG3 GLU 75 poor 9 72 - 12 - 8295/8643=3, 2224/1.8=3...(5) H SER 103 - HG3 GLU 75 lone 4 72 - 5 - 2217/3.0=1, 2224/1.8=1 H GLY 31 - HG3 GLU 75 lone 3 81 - 4 - 2224/1.8=1 H TYR 117 - HG2 GLU 120 lone 1 26 - 3 - H LYS 61 - HG2 GLU 120 lone 0 22 - 1 - H GLY 31 - HG2 GLU 120 lone 0 26 - 1 - H SER 103 - HG2 GLU 120 lone 0 22 - 1 - Peak 2232 from cnoeabs.peaks (3.98, 2.29, 36.56 ppm; 3.07 A): 2 out of 8 assignments used, quality = 0.96: * HA GLU 75 + HG3 GLU 75 OK 94 100 - 94 - 3.9=49, 2225/1.8=27...(25) HB3 SER 127 + HG3 GLU 75 OK 34 85 - 40 - 2225/1.8=8, 2218/3.0=6...(9) HA GLU 75 - HG2 GLU 120 OK 14 38 - 37 - 2206=7, 2206/1.8=7...(13) HA3 GLY 143 - HG3 GLU 75 lone 8 98 - 8 - 2225/1.8=2, 2218/3.0=2...(4) HB3 SER 103 - HG3 GLU 75 lone 4 62 - 7 - ~10153=3, 2225/1.8=1 HA3 GLY 143 - HG2 GLU 120 lone 1 35 - 3 - ~7868=2 HB3 SER 127 - HG2 GLU 120 lone 1 28 - 3 - HB3 SER 103 - HG2 GLU 120 lone 0 18 - 1 - Peak 2233 from cnoeabs.peaks (2.12, 2.29, 36.56 ppm; 2.51 A): 3 out of 6 assignments used, quality = 0.95: * HB2 GLU 75 + HG3 GLU 75 OK 90 100 - 90 - 3.0=59, 2226/1.8=21...(25) HB VAL 73 + HG3 GLU 75 OK 36 100 - 37 - 2226/1.8=8, 2219/3.0=5...(16) HB2 GLU 75 + HG2 GLU 120 OK 13 38 - 33 - 2214=6, 2214/1.8=5...(15) HG2 GLN 111 - HG3 GLU 75 lone 7 92 - 8 - 2226/1.8=2, 2219/3.0=1 HB VAL 73 - HG2 GLU 120 lone 1 37 - 3 - HG2 GLN 111 - HG2 GLU 120 lone 0 31 - 1 - Peak 2234 from cnoeabs.peaks (1.98, 2.29, 36.56 ppm; 2.53 A): 1 out of 14 assignments used, quality = 0.92: * HB3 GLU 75 + HG3 GLU 75 OK 92 100 - 92 - 3.0=61, 1.8/2233=19...(26) HB2 GLU 142 - HG3 GLU 75 OK 20 92 - 22 - 2227/1.8=5, 2212/3.0=4...(7) HB3 ARG 124 - HG3 GLU 75 OK 14 100 - 14 - 2227/1.8=3, 3.0/9775=3...(5) HB3 GLU 75 - HG2 GLU 120 OK 12 38 - 33 - 2222=7, 2222/1.8=5...(14) HB VAL 63 - HG3 GLU 75 poor 8 68 - 12 - 2227/1.8=2, ~9873=2...(5) HB2 GLU 142 - HG2 GLU 120 poor 7 31 - 23 - 4842/1.8=5, ~4849=3...(8) QE MET 59 - HG3 GLU 75 lone 3 72 - 5 - 10408/8642=1 HB2 LYS 34 - HG3 GLU 75 lone 2 72 - 3 - HB3 MET 11 - HG3 GLU 75 lone 1 68 - 2 - HB3 ARG 124 - HG2 GLU 120 lone 1 37 - 3 - QE MET 59 - HG2 GLU 120 lone 0 22 - 1 - HB VAL 63 - HG2 GLU 120 lone 0 20 - 1 - HB2 LYS 34 - HG2 GLU 120 lone 0 22 - 0 - HB3 MET 11 - HG2 GLU 120 lone 0 20 - 0 - Peak 2235 from cnoeabs.peaks (2.20, 2.29, 36.56 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 75 + HG3 GLU 75 OK 100 100 - 100 - 1.8=100 HB3 PRO 57 - HG3 GLU 75 OK 14 68 - 21 - ~11514=3, 2213/3.0=2...(8) HB2 MET 113 - HG3 GLU 75 OK 14 100 - 14 - 2221/3.0=2, 2213/3.0=2...(6) HG2 GLU 75 - HG2 GLU 120 OK 12 38 - 32 - 2229=8, 2229/1.8=6...(12) HB2 MET 46 - HG3 GLU 75 OK 12 100 - 12 - 2213/3.0=2, 2221/3.0=2...(4) HB2 MET 46 - HG2 GLU 120 lone 3 37 - 9 - 1052/3.0=1, ~4017=1, ~4017=1 HB2 MET 113 - HG2 GLU 120 lone 1 37 - 2 - HB3 PRO 57 - HG2 GLU 120 lone 0 20 - 1 - Peak 2236 from cnoeabs.peaks (2.29, 2.29, 36.56 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 120 - HG2 GLU 120 OK 28 28 - 100 Peak 2237 from cnoeabs.peaks (6.79, 2.29, 36.56 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.92: * H LYS 76 + HG3 GLU 75 OK 86 100 - 87 - 2223/3.0=24, 2230/1.8=23...(22) QE TYR 112 + HG3 GLU 75 OK 32 92 - 35 - 2230/1.8=9, 2223/3.0=8...(7) H LYS 76 + HG2 GLU 120 OK 12 38 - 33 - 6810=6, 3.6/2206=6...(9) HD21 ASN 96 - HG3 GLU 75 poor 8 72 - 11 - 2230/1.8=2, 2215/3.0=2...(5) QE TYR 112 - HG2 GLU 120 lone 1 31 - 5 - HD21 ASN 96 - HG2 GLU 120 lone 0 22 - 2 - Peak 2238 from cnoeabs.peaks (6.79, 4.15, 54.47 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 76 + HA LYS 76 OK 100 100 - 100 - 3.0=100 QE TYR 112 - HA LYS 76 OK 31 92 - 34 - 2262/2.9=6, 2250/2.9=5...(10) HD21 ASN 96 - HA LYS 76 lone 7 72 - 10 - 2262/2.9=2, 2273/4.1=1...(5) Peak 2239 from cnoeabs.peaks (4.15, 4.15, 54.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 76 + HA LYS 76 OK 100 100 - 100 Peak 2240 from cnoeabs.peaks (1.46, 4.15, 54.47 ppm; 3.12 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HA LYS 76 OK 100 100 - 100 - 2.9=100 HG LEU 126 + HA LYS 76 OK 53 98 - 54 - 2.1/4299=6, 2.1/4307=6...(26) HB3 LYS 123 + HA LYS 76 OK 50 94 - 53 - 3.0/11053=5, 2264/2.9=5...(25) HB3 LEU 66 - HA LYS 76 OK 24 94 - 25 - ~9855=3, 2264/2.9=3...(15) HG2 LYS 48 - HA LYS 76 OK 12 85 - 14 - 2264/2.9=1, 2.9/2241=1 HG3 LYS 86 - HA LYS 76 OK 11 85 - 13 - 2264/2.9=1, ~2708=1...(4) Peak 2241 from cnoeabs.peaks (1.86, 4.15, 54.47 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 76 + HA LYS 76 OK 100 100 - 100 - 2.9=100 HB3 LYS 85 + HA LYS 76 OK 52 99 - 53 - 2253/2.9=5, 3.0/2243=4...(28) HG LEU 69 + HA LYS 76 OK 50 100 - 51 - 2.1/2242=8, 6813/3.0=5...(21) HB2 LYS 93 - HA LYS 76 OK 25 62 - 40 - 3047/4.1=3, 2.9/2244=3...(21) HB3 GLU 28 - HA LYS 76 OK 16 100 - 16 - ~314=2, 2253/2.9=2...(6) HB2 LYS 48 - HA LYS 76 OK 12 81 - 15 - 2.9/2240=1, 2253/2.9=1 HB2 ARG 144 - HA LYS 76 lone 4 68 - 6 - 6825/3.6=2 HB2 LYS 36 - HA LYS 76 lone 2 62 - 3 - Peak 2242 from cnoeabs.peaks (1.16, 4.15, 54.47 ppm; 3.54 A): 2 out of 5 assignments used, quality = 0.98: * HG2 LYS 76 + HA LYS 76 OK 96 100 - 96 - 4.1=65, 3.0/2245=20...(38) QD1 LEU 69 + HA LYS 76 OK 51 100 - 51 - 2040/2.9=8, 2.1/2241=7...(19) HB2 LEU 72 - HA LYS 76 OK 27 100 - 27 - 6814/3.0=5, 2266/2.9=4...(12) QG2 THR 92 - HA LYS 76 OK 19 85 - 22 - 2254/2.9=5, 2266/2.9=4...(7) QD1 LEU 26 - HA LYS 76 poor 7 62 - 11 - 10877/3.0=6, 8800/8653=1 Peak 2243 from cnoeabs.peaks (1.53, 4.15, 54.47 ppm; 2.87 A): 2 out of 8 assignments used, quality = 0.96: * HG3 LYS 76 + HA LYS 76 OK 82 100 - 82 - 4.1=35, 3.0/2245=13...(32) HD2 LYS 76 + HA LYS 76 OK 77 99 - 78 - 1.8/2245=18, 2296=15...(32) HB2 LYS 123 - HA LYS 76 OK 33 81 - 40 - 1.8/2240=6, 3.0/11053=4...(20) HG3 LYS 85 - HA LYS 76 OK 33 94 - 35 - 3.0/2241=4, 2618/2.9=3...(16) HG2 LYS 93 - HA LYS 76 OK 26 100 - 26 - 2256/2.9=3, 2285=3...(10) HB2 LEU 29 - HA LYS 76 OK 23 100 - 23 - 350/2.9=5, 1.8/2240=4...(11) QB ALA 135 - HA LYS 76 OK 14 99 - 14 - 4.0/4574=2, 2.9/7727=2...(5) HG3 PRO 57 - HA LYS 76 lone 4 89 - 4 - Peak 2244 from cnoeabs.peaks (1.53, 4.15, 54.47 ppm; 2.87 A): 2 out of 10 assignments used, quality = 0.96: HG3 LYS 76 + HA LYS 76 OK 81 99 - 82 - 4.1=35, 3.0/2245=13...(30) * HD2 LYS 76 + HA LYS 76 OK 78 100 - 78 - 1.8/2245=18, 2296=15...(32) HG3 LYS 85 - HA LYS 76 OK 27 81 - 33 - 3.0/2241=4, 2255/2.9=3...(15) HG2 LYS 93 - HA LYS 76 OK 25 99 - 25 - 2256/2.9=3, 2268/2.9=3...(10) HB2 LYS 123 - HA LYS 76 OK 24 62 - 38 - 1.8/2240=6, 3.0/11053=4...(19) HB2 LEU 29 - HA LYS 76 OK 21 94 - 22 - 350/2.9=4, 1.8/2240=4...(11) QB ALA 135 - HA LYS 76 OK 13 92 - 14 - 4.0/4574=2, 2.9/7727=2...(4) HG2 ARG 55 - HA LYS 76 lone 6 72 - 8 - 9861/5.4=2 HG3 ARG 55 - HA LYS 76 lone 4 62 - 7 - HG3 PRO 57 - HA LYS 76 lone 3 72 - 4 - Peak 2245 from cnoeabs.peaks (1.34, 4.15, 54.47 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.95: * HD3 LYS 76 + HA LYS 76 OK 92 100 - 92 - 5.4=26, 1.8/2296=17...(39) HB3 ARG 49 + HA LYS 76 OK 30 100 - 30 - 2269/2.9=7, 2257/2.9=6...(6) QB ALA 60 + HA LYS 76 OK 11 94 - 11 - 6817/3.0=3, 2269/2.9=2...(5) Peak 2246 from cnoeabs.peaks (2.76, 4.15, 54.47 ppm; 4.39 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 76 + HA LYS 76 OK 96 100 - 96 - 6.2=35, 3.0/2245=29...(38) HE3 LYS 76 + HA LYS 76 OK 95 99 - 96 - 6.2=35, 3.0/2245=29...(38) HE2 LYS 114 - HA LYS 76 OK 23 100 - 23 - 2282/4.1=3, 2303/5.4=3...(10) HB3 PHE 43 - HA LYS 76 OK 13 77 - 17 - 2.7/2248=5, ~2272=3...(6) HG3 MET 113 - HA LYS 76 OK 13 89 - 15 - ~6809=3, 9328/8653=2...(7) HB3 ASP 137 - HA LYS 76 OK 13 77 - 17 - ~9710=4, ~9710=4...(6) HB3 ASP 40 - HA LYS 76 lone 7 99 - 7 - HB2 ASP 41 - HA LYS 76 lone 3 68 - 4 - HB2 ASN 54 - HA LYS 76 lone 3 92 - 3 - Peak 2247 from cnoeabs.peaks (2.76, 4.15, 54.47 ppm; 4.39 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HA LYS 76 OK 96 100 - 96 - 6.2=35, 3.0/2245=29...(38) HE2 LYS 76 + HA LYS 76 OK 95 99 - 96 - 6.2=35, 3.0/2245=29...(38) HE2 LYS 114 - HA LYS 76 OK 23 100 - 23 - 2282/4.1=3, 2304/5.4=3...(10) HG3 MET 113 - HA LYS 76 poor 10 72 - 14 - ~6809=3, 2258/2.9=2...(7) HB3 PHE 43 - HA LYS 76 poor 10 57 - 17 - 2.7/2248=5, ~2272=3...(6) HB3 ASP 137 - HA LYS 76 poor 9 57 - 15 - ~9710=4, ~9710=4...(5) HB3 ASP 40 - HA LYS 76 lone 6 92 - 7 - HB2 ASP 41 - HA LYS 76 lone 4 85 - 4 - HB2 ASN 54 - HA LYS 76 lone 2 77 - 3 - Peak 2248 from cnoeabs.peaks (7.36, 4.15, 54.47 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 77 + HA LYS 76 OK 100 100 - 100 - 3.6=100 QD PHE 43 - HA LYS 76 OK 14 85 - 17 - 2272/2.9=5, 6820/3.0=4...(4) Peak 2249 from cnoeabs.peaks (3.19, 1.46, 31.92 ppm; 5.21 A): 3 out of 12 assignments used, quality = 0.95: * HA VAL 73 + HB2 LYS 76 OK 87 100 - 87 - 6802/4.0=22...(22) HA VAL 73 + HB3 LYS 123 OK 39 50 - 78 - 8582/3.0=45...(12) HD3 ARG 55 + HB2 LYS 76 OK 31 100 - 31 - 2249=6, 1.8/2249=5...(9) HD2 ARG 55 - HB2 LYS 76 OK 26 89 - 30 - 1.8/2249=6, 2249=5...(8) HD2 ARG 144 - HB2 LYS 76 OK 17 96 - 18 - 1.8/2249=3, 6802/4.0=3...(6) HD3 ARG 144 - HB2 LYS 76 OK 17 100 - 17 - 6802/4.0=3, 2249=3...(5) HD2 ARG 141 - HB2 LYS 76 lone 4 77 - 5 - HD3 ARG 55 - HB3 LYS 123 lone 1 49 - 3 - HD3 ARG 144 - HB3 LYS 123 lone 1 50 - 3 - HD2 ARG 144 - HB3 LYS 123 lone 1 45 - 3 - HD2 ARG 55 - HB3 LYS 123 lone 1 39 - 2 - HD2 ARG 141 - HB3 LYS 123 lone 1 32 - 2 - Peak 2250 from cnoeabs.peaks (6.79, 1.46, 31.92 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 4.0=100 QE TYR 112 + HB2 LYS 76 OK 46 92 - 51 - 2262/1.8=11, 2273/3.0=9...(12) H LYS 76 - HB3 LYS 123 OK 32 50 - 64 - 8650/3.0=16, 6812=11...(20) HD21 ASN 96 - HB2 LYS 76 OK 12 72 - 16 - 2262/1.8=3, 2273/3.0=3...(7) QE TYR 112 - HB3 LYS 123 lone 3 41 - 8 - 2163/2164=1 HD21 ASN 96 - HB3 LYS 123 lone 1 30 - 3 - Peak 2251 from cnoeabs.peaks (4.15, 1.46, 31.92 ppm; 3.99 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 2.9=100 HA LEU 126 + HB2 LYS 76 OK 75 100 - 75 - 4270=12, 4269/1.8=10...(31) HB2 SER 44 - HB2 LYS 76 OK 40 92 - 44 - 2251=5, 2263/1.8=5...(17) HB3 SER 44 - HB2 LYS 76 OK 40 92 - 44 - 2251=5, 2263/1.8=5...(17) HA LYS 76 - HB3 LYS 123 OK 38 50 - 75 - 2240=10, 11053/3.0=10...(33) HA3 GLY 125 - HB2 LYS 76 OK 30 100 - 30 - 3.6/7577=7, 3.0/9489=4...(12) HA GLU 131 - HB2 LYS 76 OK 26 89 - 29 - 4439=5, 2263/1.8=3...(14) HA GLU 120 - HB2 LYS 76 OK 18 81 - 22 - 4013=5, 2263/1.8=2...(8) HA GLU 120 - HB3 LYS 123 poor 9 35 - 25 - 4013=12, 4012/1.8=7, 7520/3.9=5 HA LEU 126 - HB3 LYS 123 poor 9 49 - 18 - 4270=2, 3.0/4278=2...(7) HA3 GLY 125 - HB3 LYS 123 lone 4 50 - 9 - ~10326=2, ~10327=2, 3.6/7577=1 HB2 SER 44 - HB3 LYS 123 lone 3 41 - 7 - HB3 SER 44 - HB3 LYS 123 lone 3 41 - 7 - HA GLU 131 - HB3 LYS 123 lone 2 39 - 5 - Peak 2252 from cnoeabs.peaks (1.46, 1.46, 31.92 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 76 + HB2 LYS 76 OK 100 100 - 100 HB3 LYS 123 - HB3 LYS 123 OK 43 43 - 100 Peak 2253 from cnoeabs.peaks (1.86, 1.46, 31.92 ppm; 3.55 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 1.8=100 HB3 LYS 85 + HB2 LYS 76 OK 71 99 - 72 - 2241/2.9=6, 2264=6...(45) HG LEU 69 + HB2 LYS 76 OK 69 100 - 69 - 2.1/2254=7, 2033/3.0=6...(31) HB2 LYS 93 - HB2 LYS 76 OK 43 62 - 69 - 3047/3.0=5, ~3036=5...(47) HB3 LYS 76 - HB3 LYS 123 OK 37 50 - 74 - 2264=10, 11716/3.0=7...(36) HB3 GLU 28 - HB2 LYS 76 OK 26 100 - 25 - ~314=3, ~314=3, 2253=2...(14) HB2 LYS 48 - HB2 LYS 76 OK 20 81 - 25 - 2253=2, 3.0/1141=2...(10) HB3 LYS 85 - HB3 LYS 123 poor 8 48 - 16 - 2598/1.8=2...(4) HB2 ARG 144 - HB2 LYS 76 lone 7 68 - 10 - 6825/4.6=1 HB2 LYS 48 - HB3 LYS 123 poor 6 35 - 17 - ~4109=2, 2.9/1187=1...(6) HG LEU 69 - HB3 LYS 123 lone 5 50 - 10 - ~9935=4 HB2 LYS 36 - HB2 LYS 76 lone 3 62 - 4 - HB3 GLU 28 - HB3 LYS 123 lone 2 50 - 5 - 9776/3.0=1 HB2 LYS 93 - HB3 LYS 123 lone 2 25 - 6 - HB2 ARG 144 - HB3 LYS 123 lone 0 27 - 1 - HB2 LYS 36 - HB3 LYS 123 lone 0 25 - 1 - Peak 2254 from cnoeabs.peaks (1.16, 1.46, 31.92 ppm; 4.07 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HB2 LYS 76 OK 82 100 - 82 - 2040/1.8=12, 2254=9...(35) HG2 LYS 76 - HB3 LYS 123 OK 41 50 - 83 - 8658/3.0=15, 2275=11...(35) HB2 LEU 72 - HB2 LYS 76 OK 41 100 - 41 - 2266/1.8=6, 6814/4.0=5...(18) QG2 THR 92 - HB2 LYS 76 OK 41 85 - 48 - 2254=10, 2299/3.5=6...(16) HB2 LEU 72 - HB3 LYS 123 OK 18 50 - 35 - 8537/3.0=13, ~8534=6...(7) QD1 LEU 26 - HB2 LYS 76 OK 13 62 - 20 - 10552/4.0=7, 8800/8655=2...(5) QD1 LEU 69 - HB3 LYS 123 OK 10 50 - 21 - 9935/3.0=9, 9895/4122=1...(6) QG2 THR 92 - HB3 LYS 123 poor 5 37 - 13 - 9029/3.0=3, 10085/3.0=3 QD1 LEU 26 - HB3 LYS 123 lone 1 25 - 4 - Peak 2255 from cnoeabs.peaks (1.53, 1.46, 31.92 ppm; 3.31 A): 6 out of 16 assignments used, quality = 1.00: * HG3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 3.0=100 HD2 LYS 76 + HB2 LYS 76 OK 97 99 - 98 - 3.5=82, 1.8/2308=14...(61) HB2 LEU 29 + HB2 LYS 76 OK 63 100 - 63 - 350=8, 3.2/374=5...(30) HG3 LYS 85 + HB2 LYS 76 OK 62 94 - 66 - 2255=8, 2618/1.8=6...(36) HG2 LYS 93 + HB2 LYS 76 OK 60 100 - 60 - 2256=7, 2291/3.5=5...(33) HB2 LYS 123 + HB2 LYS 76 OK 56 81 - 69 - 4109=8, 3.7/4165=5...(36) HG3 LYS 76 - HB3 LYS 123 OK 35 50 - 70 - 1.8/2275=8, 2286=8...(35) HB2 LYS 123 - HB3 LYS 123 OK 35 35 - 100 - 1.8=100 HD2 LYS 76 - HB3 LYS 123 OK 30 48 - 62 - 2297=11, 8663/3.0=10...(27) QB ALA 135 - HB2 LYS 76 OK 26 99 - 26 - 10442/8655=4, 2256=3...(11) QB ALA 135 - HB3 LYS 123 OK 10 48 - 22 - 10318/3.0=6, 4590/4.2=4...(7) HG3 PRO 57 - HB3 LYS 123 OK 10 39 - 26 - ~1533=3, ~1533=3...(15) HG3 PRO 57 - HB2 LYS 76 poor 10 89 - 11 - HG3 LYS 85 - HB3 LYS 123 poor 6 43 - 14 - HG2 LYS 93 - HB3 LYS 123 lone 5 50 - 9 - HB2 LEU 29 - HB3 LYS 123 lone 3 49 - 6 - Peak 2256 from cnoeabs.peaks (1.53, 1.46, 31.92 ppm; 3.31 A): 5 out of 20 assignments used, quality = 1.00: HG3 LYS 76 + HB2 LYS 76 OK 99 99 - 100 - 3.0=100 * HD2 LYS 76 + HB2 LYS 76 OK 98 100 - 98 - 3.5=82, 1.8/2308=14...(61) HG2 LYS 93 + HB2 LYS 76 OK 59 99 - 60 - 2256=7, 2291/3.5=5...(33) HB2 LEU 29 + HB2 LYS 76 OK 59 94 - 63 - 350=7, 3.2/374=5...(30) HG3 LYS 85 + HB2 LYS 76 OK 52 81 - 65 - 2255=7, 2618/1.8=5...(36) HB2 LYS 123 - HB2 LYS 76 OK 42 62 - 67 - 3.7/4165=5, 4109=5...(36) HG3 LYS 76 - HB3 LYS 123 OK 32 48 - 68 - 1.8/2275=8, 2286=7...(32) HD2 LYS 76 - HB3 LYS 123 OK 31 50 - 61 - 2297=11, 8663/3.0=10...(24) HB2 LYS 123 - HB3 LYS 123 OK 25 25 - 100 - 1.8=100 QB ALA 135 - HB2 LYS 76 OK 23 92 - 25 - 10442/8655=3, 2256=3...(11) HG2 ARG 55 - HB2 LYS 76 OK 13 72 - 17 - 9861/3.5=5, 3.0/2249=2...(5) HG3 ARG 55 - HB2 LYS 76 poor 10 62 - 15 - 9861/3.5=3, 3.0/2249=2...(4) QB ALA 135 - HB3 LYS 123 poor 8 41 - 18 - 10318/3.0=5, 4590/4.2=3...(5) HG3 PRO 57 - HB2 LYS 76 lone 7 72 - 10 - HG3 PRO 57 - HB3 LYS 123 poor 7 30 - 22 - ~1533=3, ~1533=3...(12) HG3 LYS 85 - HB3 LYS 123 poor 4 35 - 12 - HG2 LYS 93 - HB3 LYS 123 lone 4 48 - 8 - HB2 LEU 29 - HB3 LYS 123 lone 2 43 - 5 - HG2 ARG 55 - HB3 LYS 123 lone 0 30 - 1 - HG3 ARG 55 - HB3 LYS 123 lone 0 25 - 1 - Peak 2257 from cnoeabs.peaks (1.34, 1.46, 31.92 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 ARG 49 + HB2 LYS 76 OK 60 100 - 60 - 2257=15, 2280/3.0=13...(11) HD3 LYS 76 - HB3 LYS 123 OK 39 50 - 78 - 8666/3.0=17, ~8663=12...(27) QB ALA 60 - HB2 LYS 76 OK 20 94 - 21 - 2269/1.8=4, 2280/3.0=4...(6) HB3 ARG 49 - HB3 LYS 123 lone 4 50 - 8 - 2302/2297=1, 2280/2275=1 QB ALA 60 - HB3 LYS 123 lone 3 43 - 6 - 8328/4.8=3 Peak 2258 from cnoeabs.peaks (2.76, 1.46, 31.92 ppm; 6.80 A): 2 out of 18 assignments used, quality = 1.00: * HE2 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 5.1=100 HE3 LYS 76 + HB2 LYS 76 OK 99 99 - 100 - 5.1=100 HE2 LYS 114 - HB2 LYS 76 OK 44 100 - 44 - 2303/3.5=6, 2314/3.5=6...(13) HE2 LYS 76 - HB3 LYS 123 OK 43 50 - 85 - ~8663=21, ~8666=19...(27) HE3 LYS 76 - HB3 LYS 123 OK 41 48 - 85 - ~8663=21, ~8666=19...(26) HG3 MET 113 - HB2 LYS 76 OK 34 89 - 38 - 9328/8655=14, 2258=4...(11) HB3 PHE 43 - HB2 LYS 76 OK 30 77 - 38 - ~9881=10, ~2272=8...(11) HB3 ASP 137 - HB2 LYS 76 OK 20 77 - 25 - 1.8/9710=8, 2259=3...(8) HB3 ASP 40 - HB2 LYS 76 OK 15 99 - 15 - 2258=2, 2281/3.0=1...(7) HG3 MET 113 - HB3 LYS 123 OK 14 39 - 35 - ~9330=7, ~9325=5...(8) HE2 LYS 114 - HB3 LYS 123 OK 13 50 - 26 - 4.9/3745=4, 3.7/3779=3...(7) HB2 ASP 41 - HB2 LYS 76 poor 8 68 - 11 - 2259=1 HB2 ASN 54 - HB2 LYS 76 lone 7 92 - 8 - HB3 ASP 40 - HB3 LYS 123 poor 5 48 - 11 - 883/3.0=2, ~6273=1...(4) HB3 ASP 137 - HB3 LYS 123 lone 2 32 - 7 - 9707/1.8=2 HB2 ASN 54 - HB3 LYS 123 lone 2 41 - 4 - HB3 PHE 43 - HB3 LYS 123 lone 2 32 - 5 - HB2 ASP 41 - HB3 LYS 123 lone 1 27 - 4 - Peak 2259 from cnoeabs.peaks (2.76, 1.46, 31.92 ppm; 6.80 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 5.1=100 HE2 LYS 76 + HB2 LYS 76 OK 99 99 - 100 - 5.1=100 HE2 LYS 114 - HB2 LYS 76 OK 44 100 - 45 - 2304/3.5=6, 2315/3.5=6...(13) HE3 LYS 76 - HB3 LYS 123 OK 43 50 - 85 - ~8663=21, ~8666=19...(27) HE2 LYS 76 - HB3 LYS 123 OK 41 48 - 85 - ~8663=21, ~8666=19...(27) HG3 MET 113 - HB2 LYS 76 OK 24 72 - 33 - 9328/8655=10, 2258=4...(11) HB3 PHE 43 - HB2 LYS 76 OK 22 57 - 38 - ~9881=10, ~2272=8...(11) HB3 ASP 40 - HB2 LYS 76 OK 14 92 - 15 - 2258=2, 2281/3.0=1...(7) HB3 ASP 137 - HB2 LYS 76 OK 13 57 - 23 - 1.8/9710=8, 2259=3...(8) HE2 LYS 114 - HB3 LYS 123 OK 13 49 - 26 - 4.9/3745=4, 3.7/3779=3...(7) HB2 ASP 41 - HB2 LYS 76 OK 10 85 - 12 - 2259=1 HG3 MET 113 - HB3 LYS 123 OK 10 30 - 34 - ~9330=7, ~9325=5...(7) HB2 ASN 54 - HB2 LYS 76 lone 6 77 - 7 - HB3 ASP 40 - HB3 LYS 123 poor 4 41 - 11 - 883/3.0=1, ~6273=1...(4) HB2 ASP 41 - HB3 LYS 123 lone 2 37 - 4 - HB2 ASN 54 - HB3 LYS 123 lone 1 32 - 4 - HB3 ASP 137 - HB3 LYS 123 lone 1 23 - 6 - 9707/1.8=1 HB3 PHE 43 - HB3 LYS 123 lone 1 23 - 4 - Peak 2261 from cnoeabs.peaks (3.19, 1.86, 31.92 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.96: * HA VAL 73 + HB3 LYS 76 OK 94 100 - 94 - 6802/4.0=30...(25) HD3 ARG 55 + HB3 LYS 76 OK 36 100 - 37 - 2249/1.8=8, ~2249=7...(12) HD2 ARG 55 - HB3 LYS 76 OK 31 89 - 34 - ~2249=7, 2249/1.8=7...(11) HD2 ARG 144 - HB3 LYS 76 OK 23 96 - 23 - 2249/1.8=4, 6802/4.0=4...(5) HD3 ARG 144 - HB3 LYS 76 OK 21 100 - 21 - 6802/4.0=4, 2249/1.8=4...(4) HD2 ARG 141 - HB3 LYS 76 lone 6 77 - 8 - 2249/1.8=1, ~2249=1 Peak 2262 from cnoeabs.peaks (6.79, 1.86, 31.92 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 4.0=100 QE TYR 112 + HB3 LYS 76 OK 47 92 - 51 - 2273/3.0=9, 2250/1.8=9...(13) HD21 ASN 96 - HB3 LYS 76 OK 13 72 - 18 - 2273/3.0=3, 2250/1.8=3...(7) Peak 2263 from cnoeabs.peaks (4.15, 1.86, 31.92 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 2.9=100 HA LEU 126 + HB3 LYS 76 OK 67 100 - 67 - 4269=10, 4270/1.8=8...(31) HB2 SER 44 - HB3 LYS 76 OK 30 92 - 33 - 2274/3.0=4, 2296/3.5=4...(14) HB3 SER 44 - HB3 LYS 76 OK 30 92 - 33 - 2274/3.0=4, 2296/3.5=4...(13) HA GLU 131 - HB3 LYS 76 OK 18 89 - 21 - 4439/1.8=4, ~4448=2...(12) HA3 GLY 125 - HB3 LYS 76 OK 17 100 - 17 - ~9489=3, 2251/1.8=2...(9) HA GLU 120 - HB3 LYS 76 OK 15 81 - 18 - 4013/1.8=3, 3.8/11604=2...(7) Peak 2264 from cnoeabs.peaks (1.46, 1.86, 31.92 ppm; 2.86 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 1.8=100 HG LEU 126 + HB3 LYS 76 OK 54 98 - 55 - 2.1/4301=6, 4293=5...(31) HB3 LYS 123 + HB3 LYS 76 OK 51 94 - 55 - 2275/3.0=4, ~4109=4...(25) HB3 LEU 66 - HB3 LYS 76 OK 26 94 - 27 - 2275/3.0=3, ~9891=2...(17) HG2 LYS 48 - HB3 LYS 76 OK 14 85 - 16 - 2275/3.0=1, 1174=1...(7) HG3 LYS 86 - HB3 LYS 76 OK 14 85 - 16 - ~2708=2, 4.9/6972=2...(4) Peak 2265 from cnoeabs.peaks (1.86, 1.86, 31.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 Peak 2266 from cnoeabs.peaks (1.16, 1.86, 31.92 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HB3 LYS 76 OK 83 100 - 83 - 2040=13, 2.1/2048=11...(38) HB2 LEU 72 - HB3 LYS 76 OK 43 100 - 43 - 6814/4.0=5, 2242/2.9=5...(19) QG2 THR 92 - HB3 LYS 76 OK 37 85 - 43 - 2254/1.8=8, 2299/3.5=6...(15) QD1 LEU 26 - HB3 LYS 76 OK 11 62 - 17 - 10552/4.0=7, 8800/8657=2...(4) Peak 2267 from cnoeabs.peaks (1.53, 1.86, 31.92 ppm; 3.03 A): 5 out of 8 assignments used, quality = 1.00: * HG3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 3.0=100 HD2 LYS 76 + HB3 LYS 76 OK 95 99 - 96 - 3.5=63, 2297/1.8=15...(58) HB2 LEU 29 + HB3 LYS 76 OK 53 100 - 53 - 350/1.8=7, 1.8/2264=6...(28) HG3 LYS 85 + HB3 LYS 76 OK 51 94 - 54 - 1.8/2607=6, 2618=6...(27) HG2 LYS 93 + HB3 LYS 76 OK 50 100 - 50 - 2286/1.8=5, 2291/3.5=4...(26) HB2 LYS 123 - HB3 LYS 76 OK 44 81 - 54 - 1.8/2264=7, 4109/1.8=5...(26) QB ALA 135 - HB3 LYS 76 OK 18 99 - 18 - 4.0/10321=3, 2256/1.8=2...(10) HG3 PRO 57 - HB3 LYS 76 lone 7 89 - 7 - Peak 2268 from cnoeabs.peaks (1.53, 1.86, 31.92 ppm; 3.03 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 76 + HB3 LYS 76 OK 99 99 - 100 - 3.0=100 * HD2 LYS 76 + HB3 LYS 76 OK 96 100 - 96 - 3.5=63, 2297/1.8=16...(59) HB2 LEU 29 + HB3 LYS 76 OK 50 94 - 53 - 350/1.8=7, 1.8/2264=6...(28) HG2 LYS 93 + HB3 LYS 76 OK 49 99 - 50 - 2256/1.8=5, 2291/3.5=4...(26) HG3 LYS 85 - HB3 LYS 76 OK 43 81 - 53 - 1.8/2607=6, 2618=5...(25) HB2 LYS 123 - HB3 LYS 76 OK 32 62 - 52 - 1.8/2264=7, 3.0/11716=4...(26) QB ALA 135 - HB3 LYS 76 OK 16 92 - 18 - 4.0/10321=3, 2256/1.8=2...(9) HG2 ARG 55 - HB3 LYS 76 poor 9 72 - 12 - 9861/3.5=4, ~2249=1, ~2249=1 HG3 ARG 55 - HB3 LYS 76 poor 7 62 - 11 - 9861/3.5=2, ~2249=1, ~2249=1 HG3 PRO 57 - HB3 LYS 76 lone 5 72 - 7 - Peak 2269 from cnoeabs.peaks (1.34, 1.86, 31.92 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 ARG 49 - HB3 LYS 76 OK 41 100 - 41 - 2280/3.0=10, 2257/1.8=9...(8) QB ALA 60 - HB3 LYS 76 OK 15 94 - 15 - 2280/3.0=3, 2245/2.9=3...(6) Peak 2272 from cnoeabs.peaks (7.36, 1.86, 31.92 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.75: * H GLY 77 + HB3 LYS 76 OK 71 100 - 71 - 4.6=51, 6820/4.0=22...(8) QD PHE 43 + HB3 LYS 76 OK 14 85 - 17 - 2248/2.9=3, 9881/3.0=3 Peak 2273 from cnoeabs.peaks (6.79, 1.16, 24.82 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.97: * H LYS 76 + HG2 LYS 76 OK 95 100 - 95 - 5.1=41, 2284/1.8=20...(32) QE TYR 112 + HG2 LYS 76 OK 42 92 - 45 - 2284/1.8=8, 2262/3.0=7...(13) HD21 ASN 96 - HG2 LYS 76 OK 13 72 - 18 - 2284/1.8=2, 5.5/9089=2...(7) Peak 2274 from cnoeabs.peaks (4.15, 1.16, 24.82 ppm; 3.81 A): 2 out of 7 assignments used, quality = 0.99: * HA LYS 76 + HG2 LYS 76 OK 99 100 - 99 - 4.1=81, 2245/3.0=23...(38) HA LEU 126 + HG2 LYS 76 OK 58 100 - 59 - 4270/3.0=8, 4269/3.0=7...(23) HB2 SER 44 - HG2 LYS 76 OK 39 92 - 42 - 2296/3.0=5, 2307/3.0=4...(20) HB3 SER 44 - HG2 LYS 76 OK 39 92 - 42 - 2296/3.0=5, 2307/3.0=4...(20) HA GLU 120 - HG2 LYS 76 OK 16 81 - 20 - 4013/3.0=3, 2285/1.8=2...(9) HA3 GLY 125 - HG2 LYS 76 OK 15 100 - 15 - ~9489=2, 2251/3.0=2...(7) HA GLU 131 - HG2 LYS 76 OK 15 89 - 16 - 4439/3.0=3, 2263/3.0=2...(6) Peak 2275 from cnoeabs.peaks (1.46, 1.16, 24.82 ppm; 3.35 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 3.0=100 HB3 LYS 123 + HG2 LYS 76 OK 64 94 - 68 - 3.0/8658=10, 2286/1.8=7...(34) HG LEU 126 + HG2 LYS 76 OK 52 98 - 53 - 2264/3.0=6, 2286/1.8=5...(26) HB3 LEU 66 - HG2 LYS 76 OK 40 94 - 42 - 3.1/9891=10, 3.1/9899=6...(18) HG2 LYS 48 - HG2 LYS 76 OK 19 85 - 22 - 2308/3.0=2, 2297/3.0=2...(5) HG3 LYS 86 - HG2 LYS 76 OK 14 85 - 16 - 2264/3.0=2, ~2708=1...(5) Peak 2276 from cnoeabs.peaks (1.86, 1.16, 24.82 ppm; 3.82 A): 4 out of 8 assignments used, quality = 1.00: * HB3 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 3.0=100 HG LEU 69 + HG2 LYS 76 OK 79 100 - 79 - 2.1/2049=11, 2033=10...(35) HB3 LYS 85 + HG2 LYS 76 OK 74 99 - 75 - 2598/1.8=8, 2266=7...(41) HB2 LYS 93 + HG2 LYS 76 OK 51 62 - 81 - 3.0/10090=9, 3047/1.8=8...(56) HB3 GLU 28 - HG2 LYS 76 OK 23 100 - 23 - ~314=2, ~11556=2, ~314=2...(14) HB2 LYS 48 - HG2 LYS 76 OK 19 81 - 23 - 2.9/2275=2, 2309/3.0=2...(7) HB2 ARG 144 - HG2 LYS 76 lone 5 68 - 7 - HB2 LYS 36 - HG2 LYS 76 lone 3 62 - 5 - 8801/9943=1 Peak 2277 from cnoeabs.peaks (1.16, 1.16, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 76 + HG2 LYS 76 OK 100 100 - 100 Peak 2278 from cnoeabs.peaks (1.53, 1.16, 24.82 ppm; 2.68 A): 4 out of 8 assignments used, quality = 1.00: * HG3 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 1.8=100 HD2 LYS 76 + HG2 LYS 76 OK 89 99 - 90 - 3.0=73, 2297/3.0=8...(33) HG2 LYS 93 + HG2 LYS 76 OK 51 100 - 51 - 2288=7, 2291/3.0=4...(27) HB2 LEU 29 + HG2 LYS 76 OK 50 100 - 51 - 3.1/8075=8, 3.2/8074=6...(23) HG3 LYS 85 - HG2 LYS 76 OK 42 94 - 44 - ~2609=3, 2618/3.0=3...(15) HB2 LYS 123 - HG2 LYS 76 OK 35 81 - 43 - 3.0/8658=6, 1.8/2275=5...(23) QB ALA 135 - HG2 LYS 76 OK 15 99 - 15 - 9645/3.9=1, 4.0/2275=1...(6) HG3 PRO 57 - HG2 LYS 76 lone 7 89 - 7 - Peak 2279 from cnoeabs.peaks (1.53, 1.16, 24.82 ppm; 2.68 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 76 + HG2 LYS 76 OK 99 99 - 100 - 1.8=100 * HD2 LYS 76 + HG2 LYS 76 OK 90 100 - 90 - 3.0=73, 2297/3.0=9...(33) HG2 LYS 93 + HG2 LYS 76 OK 50 99 - 50 - 2288=7, 2291/3.0=4...(27) HB2 LEU 29 + HG2 LYS 76 OK 47 94 - 50 - 3.1/8075=8, 3.2/8074=6...(23) HG3 LYS 85 - HG2 LYS 76 OK 35 81 - 43 - ~2609=3, 3.0/2276=3...(15) HB2 LYS 123 - HG2 LYS 76 OK 26 62 - 41 - 3.0/8658=6, 1.8/2275=5...(23) QB ALA 135 - HG2 LYS 76 OK 13 92 - 15 - 4.0/2275=1, 2256/3.0=1...(5) HG2 ARG 55 - HG2 LYS 76 poor 9 72 - 12 - 9861/3.0=4, ~9861=3 HG3 ARG 55 - HG2 LYS 76 poor 7 62 - 11 - ~9861=4, 9861/3.0=2 HG3 PRO 57 - HG2 LYS 76 lone 5 72 - 7 - Peak 2280 from cnoeabs.peaks (1.34, 1.16, 24.82 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 3.0=100 HB3 ARG 49 - HG2 LYS 76 OK 44 100 - 44 - 2291/1.8=8, 2302/3.0=7...(17) QB ALA 60 - HG2 LYS 76 OK 13 94 - 13 - 2291/1.8=2, 2269/3.0=2...(6) Peak 2281 from cnoeabs.peaks (2.76, 1.16, 24.82 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 76 + HG2 LYS 76 OK 98 100 - 98 - 3.9=83, 1.8/2332=13...(46) HE3 LYS 76 + HG2 LYS 76 OK 97 99 - 98 - 3.9=83, 1.8/2321=13...(46) HE2 LYS 114 - HG2 LYS 76 OK 26 100 - 26 - 2303/3.0=4, 2314/3.0=4...(10) HG3 MET 113 - HG2 LYS 76 OK 13 89 - 15 - 2303/3.0=2, 2314/3.0=2...(6) HB3 ASP 137 - HG2 LYS 76 OK 11 77 - 14 - ~9710=3, ~9710=3...(5) HB3 PHE 43 - HG2 LYS 76 poor 10 77 - 13 - 2.7/9881=5, ~2272=2 HB3 ASP 40 - HG2 LYS 76 lone 8 99 - 8 - HB2 ASN 54 - HG2 LYS 76 lone 3 92 - 3 - HB2 ASP 41 - HG2 LYS 76 lone 2 68 - 3 - Peak 2282 from cnoeabs.peaks (2.76, 1.16, 24.82 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HG2 LYS 76 OK 98 100 - 98 - 3.9=83, 1.8/2321=13...(46) HE2 LYS 76 + HG2 LYS 76 OK 97 99 - 98 - 3.9=83, 1.8/2332=13...(46) HE2 LYS 114 - HG2 LYS 76 OK 26 100 - 26 - 2304/3.0=4, 2315/3.0=4...(10) HG3 MET 113 - HG2 LYS 76 poor 10 72 - 13 - 2303/3.0=2, 2314/3.0=2...(6) HB3 PHE 43 - HG2 LYS 76 poor 7 57 - 12 - 2.7/9881=5, ~2272=2 HB3 ASP 40 - HG2 LYS 76 lone 7 92 - 7 - HB3 ASP 137 - HG2 LYS 76 poor 7 57 - 12 - ~9710=3, ~9710=3, 2293/1.8=1 HB2 ASP 41 - HG2 LYS 76 lone 3 85 - 3 - HB2 ASN 54 - HG2 LYS 76 lone 2 77 - 3 - Peak 2284 from cnoeabs.peaks (6.79, 1.53, 24.82 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 76 + HG3 LYS 76 OK 95 100 - 95 - 5.1=42, 2273/1.8=24...(33) QE TYR 112 + HG3 LYS 76 OK 40 92 - 44 - 2273/1.8=10, 2262/3.0=8...(11) H LYS 76 - HG2 LYS 93 OK 26 86 - 30 - 6815=4, 3.0/2244=4...(11) HD21 ASN 96 - HG3 LYS 76 OK 11 72 - 15 - 2273/1.8=3, 2262/3.0=2...(6) QE TYR 112 - HG2 LYS 93 lone 4 74 - 6 - ~4709=1 HD21 ASN 96 - HG2 LYS 93 lone 1 56 - 2 - Peak 2285 from cnoeabs.peaks (4.15, 1.53, 24.82 ppm; 3.58 A): 2 out of 14 assignments used, quality = 0.98: * HA LYS 76 + HG3 LYS 76 OK 97 100 - 97 - 4.1=67, 2245/3.0=21...(36) HA LEU 126 + HG3 LYS 76 OK 52 100 - 52 - 2274/1.8=7, 2263/3.0=7...(22) HB2 SER 44 - HG3 LYS 76 OK 36 92 - 39 - 2274/1.8=5, 2296/3.0=4...(17) HB3 SER 44 - HG3 LYS 76 OK 36 92 - 39 - 2274/1.8=5, 2296/3.0=4...(17) HA LYS 76 - HG2 LYS 93 OK 34 86 - 40 - 2244=5, 2.9/2256=4...(16) HA LEU 126 - HG2 LYS 93 OK 23 84 - 28 - 4269/2.9=8, ~4277=4...(9) HA GLU 120 - HG3 LYS 76 OK 14 81 - 17 - 4013/3.0=3, 2274/1.8=2...(6) HA3 GLY 125 - HG3 LYS 76 OK 13 100 - 13 - 2251/3.0=2, ~9489=2...(6) HA GLU 131 - HG3 LYS 76 OK 13 89 - 14 - 4439/3.0=3, 2263/3.0=2...(5) HB2 SER 44 - HG2 LYS 93 lone 7 74 - 9 - ~8167=1, 8167/3.0=1, 3.9/3055=1 HB3 SER 44 - HG2 LYS 93 lone 7 74 - 9 - ~8167=1, 8167/3.0=1, 3.9/3055=1 HA GLU 131 - HG2 LYS 93 lone 2 71 - 3 - HA GLU 120 - HG2 LYS 93 lone 2 64 - 3 - HA3 GLY 125 - HG2 LYS 93 lone 2 85 - 2 - Peak 2286 from cnoeabs.peaks (1.46, 1.53, 24.82 ppm; 2.60 A): 3 out of 12 assignments used, quality = 0.96: * HB2 LYS 76 + HG3 LYS 76 OK 88 100 - 88 - 3.0=68, 2297/3.0=8...(37) HB3 LYS 123 + HG3 LYS 76 OK 44 94 - 47 - 2275/1.8=5, 2297/3.0=4...(25) HB2 LYS 76 + HG2 LYS 93 OK 34 86 - 39 - 2256=4, 1.8/2267=3...(16) HG2 LYS 48 - HG2 LYS 93 OK 32 68 - 48 - 1178/3.0=4, 1179/3.0=3...(26) HG LEU 126 - HG3 LYS 76 OK 32 98 - 33 - 2264/3.0=4, 2275/1.8=4...(17) HB3 LEU 66 - HG3 LYS 76 OK 21 94 - 22 - 2275/1.8=3, ~9891=3...(9) HG LEU 126 - HG2 LYS 93 OK 13 81 - 16 - 4293/2.9=4, ~4301=2...(6) HG2 LYS 48 - HG3 LYS 76 OK 12 85 - 14 - 2275/1.8=1, 2297/3.0=1...(4) HG3 LYS 86 - HG3 LYS 76 lone 9 85 - 10 - 2264/3.0=1, 2275/1.8=1 HG3 LYS 86 - HG2 LYS 93 lone 4 68 - 6 - HB3 LYS 123 - HG2 LYS 93 lone 4 77 - 5 - HB3 LEU 66 - HG2 LYS 93 lone 2 77 - 3 - Peak 2287 from cnoeabs.peaks (1.86, 1.53, 24.82 ppm; 3.06 A): 5 out of 16 assignments used, quality = 1.00: * HB3 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 3.0=100 HB3 LYS 85 + HG3 LYS 76 OK 60 99 - 61 - 2598=7, 1.8/2586=5...(34) HG LEU 69 + HG3 LYS 76 OK 57 100 - 57 - 2.1/2288=6, 2033/1.8=5...(32) HB3 LYS 85 + HG2 LYS 93 OK 51 83 - 61 - 2598=7, 1.8/3051=5...(39) HB2 LYS 93 + HG2 LYS 93 OK 47 47 - 100 - 2.9=100 HB3 LYS 76 - HG2 LYS 93 OK 43 86 - 50 - 2267=6, 1.8/2286=5...(26) HB2 LYS 93 - HG3 LYS 76 OK 39 62 - 63 - 1.8/3038=6, 2.9/3060=5...(31) HB2 LYS 48 - HG2 LYS 93 OK 35 64 - 56 - 3.6/3071=3, 2.9/2286=3...(38) HB3 GLU 28 - HG2 LYS 93 OK 19 86 - 22 - ~8054=3, 3058/1.8=2...(8) HB3 GLU 28 - HG3 LYS 76 OK 18 100 - 18 - 4.3/6122=2, 1.8/11556=2...(6) HB2 LYS 48 - HG3 LYS 76 OK 14 81 - 17 - 2276/1.8=1, 2.9/2286=1...(4) HG LEU 69 - HG2 LYS 93 poor 9 85 - 11 - 2.1/2288=1 HB2 LYS 36 - HG2 LYS 93 poor 7 47 - 15 - ~676=2, 3.0/3050=1, ~676=1 HB2 ARG 144 - HG3 LYS 76 lone 3 68 - 4 - HB2 LYS 36 - HG3 LYS 76 lone 2 62 - 3 - HB2 ARG 144 - HG2 LYS 93 lone 1 52 - 2 - Peak 2288 from cnoeabs.peaks (1.16, 1.53, 24.82 ppm; 2.84 A): 3 out of 10 assignments used, quality = 1.00: * HG2 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 1.8=100 QD1 LEU 69 + HG3 LYS 76 OK 55 100 - 55 - 2040/3.0=5, 2310/3.0=5...(30) HG2 LYS 76 + HG2 LYS 93 OK 48 86 - 56 - 2279=7, 3.0/2291=5...(31) HB2 LEU 72 - HG3 LYS 76 OK 25 100 - 25 - 2299/3.0=3, 2310/3.0=3...(13) QG2 THR 92 - HG3 LYS 76 OK 23 85 - 27 - 2299/3.0=3, 2310/3.0=3...(10) QG2 THR 92 - HG2 LYS 93 OK 20 68 - 30 - 10100/1.8=5, 3009/5.1=5...(12) QD1 LEU 69 - HG2 LYS 93 OK 12 85 - 14 - 9933/4.0=2, 9893/3.0=1 HB2 LEU 72 - HG2 LYS 93 lone 6 85 - 7 - ~10173=2, 7086/5.1=1 QD1 LEU 26 - HG3 LYS 76 lone 5 62 - 8 - 10877/5.1=2 QD1 LEU 26 - HG2 LYS 93 lone 3 47 - 7 - Peak 2289 from cnoeabs.peaks (1.53, 1.53, 24.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 76 + HG3 LYS 76 OK 100 100 - 100 HG2 LYS 93 + HG2 LYS 93 OK 86 86 - 100 Peak 2290 from cnoeabs.peaks (1.53, 1.53, 24.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 76 + HG3 LYS 76 OK 99 99 - 100 HG2 LYS 93 + HG2 LYS 93 OK 83 83 - 100 Reference assignment not found: HD2 LYS 76 - HG3 LYS 76 Peak 2291 from cnoeabs.peaks (1.34, 1.53, 24.82 ppm; 2.99 A): 1 out of 6 assignments used, quality = 1.00: * HD3 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 - HG2 LYS 93 OK 43 86 - 50 - 2312=6, 3.0/2288=4...(23) HB3 ARG 49 - HG3 LYS 76 OK 40 100 - 40 - 2280/1.8=9, 2302/3.0=7...(16) QB ALA 60 - HG3 LYS 76 OK 12 94 - 12 - 2280/1.8=3, 2269/3.0=2...(5) HB3 ARG 49 - HG2 LYS 93 lone 3 85 - 3 - QB ALA 60 - HG2 LYS 93 lone 2 77 - 3 - Peak 2292 from cnoeabs.peaks (2.76, 1.53, 24.82 ppm; 3.88 A): 3 out of 18 assignments used, quality = 1.00: * HE2 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 3.9=97, 2282/1.8=15...(51) HE3 LYS 76 + HG3 LYS 76 OK 99 99 - 100 - 3.9=97, 2282/1.8=15...(51) HE2 LYS 76 + HG2 LYS 93 OK 46 86 - 53 - 3.0/2291=8, 3.9/2288=5...(26) HE2 LYS 114 - HG2 LYS 93 OK 44 86 - 51 - ~3826=7, ~3826=5...(23) HE3 LYS 76 - HG2 LYS 93 OK 44 83 - 53 - 3.0/2291=8, 3.9/2288=5...(26) HE2 LYS 114 - HG3 LYS 76 OK 26 100 - 26 - 2303/3.0=5, 2314/3.0=4...(11) HG3 MET 113 - HG3 LYS 76 OK 16 89 - 19 - 9328/10092=4, 2303/3.0=2...(6) HB3 ASP 137 - HG3 LYS 76 OK 12 77 - 15 - ~9710=3, ~9710=3...(8) HB3 PHE 43 - HG3 LYS 76 OK 11 77 - 14 - ~9881=4, ~2272=2...(4) HB3 ASP 40 - HG3 LYS 76 lone 8 99 - 8 - 2281/1.8=1, ~9740=1 HB3 ASP 137 - HG2 LYS 93 lone 6 60 - 10 - ~4650=1 HG3 MET 113 - HG2 LYS 93 lone 3 71 - 4 - HB2 ASN 54 - HG3 LYS 76 lone 3 92 - 3 - HB2 ASP 41 - HG3 LYS 76 lone 2 68 - 3 - HB2 ASN 54 - HG2 LYS 93 lone 2 74 - 3 - ~11658=1 HB3 ASP 40 - HG2 LYS 93 lone 2 83 - 2 - HB3 PHE 43 - HG2 LYS 93 lone 2 60 - 2 - 4.5/3055=1 HB2 ASP 41 - HG2 LYS 93 lone 1 52 - 1 - Peak 2293 from cnoeabs.peaks (2.76, 1.53, 24.82 ppm; 3.88 A): 3 out of 18 assignments used, quality = 1.00: * HE3 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 3.9=97, 2282/1.8=15...(51) HE2 LYS 76 + HG3 LYS 76 OK 99 99 - 100 - 3.9=97, 2282/1.8=15...(51) HE3 LYS 76 + HG2 LYS 93 OK 46 86 - 53 - 3.0/2291=8, 3.9/2288=5...(26) HE2 LYS 76 - HG2 LYS 93 OK 44 83 - 53 - 3.0/2291=8, 3.9/2288=5...(26) HE2 LYS 114 - HG2 LYS 93 OK 43 84 - 51 - ~3826=7, ~3826=5...(23) HE2 LYS 114 - HG3 LYS 76 OK 26 100 - 26 - 2304/3.0=5, 2315/3.0=4...(11) HG3 MET 113 - HG3 LYS 76 OK 12 72 - 16 - 9328/10092=3, 2303/3.0=2...(6) HB3 PHE 43 - HG3 LYS 76 poor 8 57 - 13 - ~9881=4, ~2272=2...(4) HB3 ASP 137 - HG3 LYS 76 poor 8 57 - 13 - ~9710=3, ~9710=3...(4) HB3 ASP 40 - HG3 LYS 76 lone 7 92 - 7 - 2281/1.8=1, ~9740=1 HB3 ASP 137 - HG2 LYS 93 lone 4 43 - 9 - ~4650=1 HB2 ASP 41 - HG3 LYS 76 lone 4 85 - 4 - HB2 ASN 54 - HG3 LYS 76 lone 2 77 - 3 - HG3 MET 113 - HG2 LYS 93 lone 2 56 - 4 - HB2 ASN 54 - HG2 LYS 93 lone 2 60 - 3 - ~11658=1 HB3 ASP 40 - HG2 LYS 93 lone 2 74 - 2 - HB2 ASP 41 - HG2 LYS 93 lone 1 68 - 2 - HB3 PHE 43 - HG2 LYS 93 lone 1 43 - 2 - 4.5/3055=1 Peak 2295 from cnoeabs.peaks (6.79, 1.53, 27.80 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.97: * H LYS 76 + HD2 LYS 76 OK 97 100 - 97 - 6.1=34, 6817/1.8=29...(40) QE TYR 112 - HD2 LYS 76 OK 41 92 - 44 - 2306/1.8=10, 2273/3.0=10...(10) HD21 ASN 96 - HD2 LYS 76 OK 12 72 - 16 - 2273/3.0=3, 2306/1.8=3...(6) Peak 2296 from cnoeabs.peaks (4.15, 1.53, 27.80 ppm; 3.21 A): 3 out of 7 assignments used, quality = 0.94: * HA LYS 76 + HD2 LYS 76 OK 87 100 - 87 - 2245/1.8=23, 5.4=21...(34) HA LEU 126 + HD2 LYS 76 OK 36 100 - 36 - 2307/1.8=6, 4270/3.5=5...(14) HB2 SER 44 + HD2 LYS 76 OK 27 92 - 30 - 2307/1.8=4, 2274/3.0=3...(13) HB3 SER 44 - HD2 LYS 76 OK 27 92 - 30 - 2307/1.8=4, 2274/3.0=3...(13) HA GLU 131 - HD2 LYS 76 poor 10 89 - 11 - 4439/3.5=2, 2307/1.8=2...(4) HA GLU 120 - HD2 LYS 76 poor 9 81 - 12 - 4013/3.5=2, 2307/1.8=2...(4) HA3 GLY 125 - HD2 LYS 76 lone 9 100 - 8 - 2307/1.8=1, 2251/3.5=1...(4) Peak 2297 from cnoeabs.peaks (1.46, 1.53, 27.80 ppm; 2.98 A): 2 out of 6 assignments used, quality = 0.97: * HB2 LYS 76 + HD2 LYS 76 OK 94 100 - 94 - 3.5=60, 2308/1.8=11...(54) HB3 LYS 123 + HD2 LYS 76 OK 47 94 - 50 - 3.0/8663=8, 2308/1.8=6...(20) HG LEU 126 - HD2 LYS 76 OK 31 98 - 31 - 2308/1.8=4, 2264/3.5=4...(13) HB3 LEU 66 - HD2 LYS 76 OK 16 94 - 17 - 2275/3.0=3, 2308/1.8=2...(7) HG2 LYS 48 - HD2 LYS 76 OK 13 85 - 16 - 2308/1.8=2, 2275/3.0=1...(4) HG3 LYS 86 - HD2 LYS 76 lone 6 85 - 7 - 2264/3.5=1 Peak 2298 from cnoeabs.peaks (1.86, 1.53, 27.80 ppm; 3.75 A): 4 out of 8 assignments used, quality = 1.00: * HB3 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 LYS 85 + HD2 LYS 76 OK 63 99 - 64 - 2309/1.8=7, 2276/3.0=6...(36) HG LEU 69 + HD2 LYS 76 OK 60 100 - 60 - 2.1/2299=10, 2309/1.8=7...(23) HB2 LYS 93 + HD2 LYS 76 OK 49 62 - 79 - 1.8/3038=9, 2.9/3060=7...(51) HB2 LYS 48 - HD2 LYS 76 OK 16 81 - 19 - 2.9/2297=2, 2309/1.8=2...(6) HB3 GLU 28 - HD2 LYS 76 OK 15 100 - 15 - 4.3/6122=2, 2276/3.0=2...(6) HB2 ARG 144 - HD2 LYS 76 lone 3 68 - 5 - HB2 LYS 36 - HD2 LYS 76 lone 2 62 - 4 - Peak 2299 from cnoeabs.peaks (1.16, 1.53, 27.80 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HD2 LYS 76 OK 54 100 - 54 - 2310/1.8=9, 2040/3.5=5...(22) HB2 LEU 72 - HD2 LYS 76 OK 28 100 - 28 - 2310/1.8=4, 2266/3.5=3...(13) QG2 THR 92 - HD2 LYS 76 OK 26 85 - 30 - 2310/1.8=6, 2254/3.5=3...(13) QD1 LEU 26 - HD2 LYS 76 lone 5 62 - 8 - 10877/6.1=2 Peak 2300 from cnoeabs.peaks (1.53, 1.53, 27.80 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 76 + HD2 LYS 76 OK 99 99 - 100 Reference assignment not found: HG3 LYS 76 - HD2 LYS 76 Peak 2301 from cnoeabs.peaks (1.53, 1.53, 27.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 76 + HD2 LYS 76 OK 100 100 - 100 Peak 2302 from cnoeabs.peaks (1.34, 1.53, 27.80 ppm; 2.52 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 1.8=100 HB3 ARG 49 - HD2 LYS 76 OK 30 100 - 30 - 2280/3.0=4, ~1250=4...(15) QB ALA 60 - HD2 LYS 76 lone 7 94 - 7 - 2280/3.0=1, 2269/3.5=1 Peak 2303 from cnoeabs.peaks (2.76, 1.53, 27.80 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.0=100 HE3 LYS 76 + HD2 LYS 76 OK 99 99 - 100 - 3.0=100 HE2 LYS 114 - HD2 LYS 76 OK 35 100 - 35 - 3.7/8664=5, 2314/1.8=4...(18) HG3 MET 113 - HD2 LYS 76 OK 18 89 - 20 - 2314/1.8=2, ~3711=2...(5) HB3 ASP 40 - HD2 LYS 76 lone 7 99 - 7 - HB3 PHE 43 - HD2 LYS 76 lone 6 77 - 8 - ~9881=2 HB3 ASP 137 - HD2 LYS 76 lone 6 77 - 8 - 2282/3.0=1, 2315/1.8=1 HB2 ASN 54 - HD2 LYS 76 lone 2 92 - 2 - HB2 ASP 41 - HD2 LYS 76 lone 2 68 - 3 - Peak 2304 from cnoeabs.peaks (2.76, 1.53, 27.80 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HD2 LYS 76 OK 99 99 - 100 - 3.0=100 HE2 LYS 114 - HD2 LYS 76 OK 35 100 - 35 - 3.7/8664=5, 2315/1.8=4...(17) HG3 MET 113 - HD2 LYS 76 OK 14 72 - 19 - 2314/1.8=2, ~3711=2...(5) HB3 ASP 40 - HD2 LYS 76 lone 6 92 - 7 - HB3 PHE 43 - HD2 LYS 76 lone 5 57 - 8 - ~9881=2 HB3 ASP 137 - HD2 LYS 76 lone 4 57 - 6 - HB2 ASP 41 - HD2 LYS 76 lone 3 85 - 3 - HB2 ASN 54 - HD2 LYS 76 lone 2 77 - 2 - Peak 2306 from cnoeabs.peaks (6.79, 1.34, 27.80 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.97: * H LYS 76 + HD3 LYS 76 OK 97 100 - 97 - 6.1=34, 3.0/2245=28...(33) QE TYR 112 - HD3 LYS 76 OK 40 92 - 44 - 2295/1.8=10, 2273/3.0=10...(10) HD21 ASN 96 - HD3 LYS 76 OK 12 72 - 15 - 2295/1.8=3, 2273/3.0=3...(6) Peak 2307 from cnoeabs.peaks (4.15, 1.34, 27.80 ppm; 3.50 A): 2 out of 7 assignments used, quality = 0.96: * HA LYS 76 + HD3 LYS 76 OK 93 100 - 93 - 2245=36, 2296/1.8=17...(39) HA LEU 126 + HD3 LYS 76 OK 42 100 - 43 - 2296/1.8=7, 4270/3.5=6...(15) HB2 SER 44 - HD3 LYS 76 OK 32 92 - 35 - 2296/1.8=5, ~2296=3...(16) HB3 SER 44 - HD3 LYS 76 OK 32 92 - 35 - 2296/1.8=5, ~2296=3...(16) HA GLU 131 - HD3 LYS 76 OK 12 89 - 13 - 4439/3.5=3, 2296/1.8=2...(5) HA GLU 120 - HD3 LYS 76 OK 11 81 - 14 - 4013/3.5=2, 2296/1.8=2...(5) HA3 GLY 125 - HD3 LYS 76 OK 10 100 - 10 - 2251/3.5=2, 2296/1.8=2...(5) Peak 2308 from cnoeabs.peaks (1.46, 1.34, 27.80 ppm; 3.44 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HD3 LYS 76 OK 99 100 - 99 - 3.5=92, 2.9/2245=20...(63) HB3 LYS 123 + HD3 LYS 76 OK 58 94 - 61 - 3.0/8666=11, 2297/1.8=9...(25) HG LEU 126 - HD3 LYS 76 OK 39 98 - 40 - 2297/1.8=6, 2264/3.5=6...(15) HB3 LEU 66 - HD3 LYS 76 OK 22 94 - 23 - 2275/3.0=4, ~9891=4...(8) HG2 LYS 48 - HD3 LYS 76 OK 18 85 - 21 - 2297/1.8=3, 4.9/6465=2...(7) HG3 LYS 86 - HD3 LYS 76 lone 7 85 - 9 - 2264/3.5=1, 2275/3.0=1...(4) Peak 2309 from cnoeabs.peaks (1.86, 1.34, 27.80 ppm; 3.85 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 LYS 85 + HD3 LYS 76 OK 62 99 - 62 - 2269=10, 2298/1.8=8...(27) HG LEU 69 + HD3 LYS 76 OK 61 100 - 61 - 2.1/2310=11, 2298/1.8=7...(23) HB2 LYS 93 - HD3 LYS 76 OK 44 62 - 71 - 2.9/2291=8, 2298/1.8=6...(39) HB2 LYS 48 - HD3 LYS 76 OK 17 81 - 21 - 4.3/6465=3, 2.9/2308=3...(8) HB3 GLU 28 - HD3 LYS 76 OK 13 100 - 13 - 2276/3.0=2, ~11556=2...(5) HB2 ARG 144 - HD3 LYS 76 lone 3 68 - 5 - HB2 LYS 36 - HD3 LYS 76 lone 3 62 - 4 - 8801/11718=1 Peak 2310 from cnoeabs.peaks (1.16, 1.34, 27.80 ppm; 3.10 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HD3 LYS 76 OK 51 100 - 51 - 2299/1.8=8, 2040/3.5=5...(22) HB2 LEU 72 - HD3 LYS 76 OK 25 100 - 25 - 2299/1.8=4, 2266/3.5=2...(13) QG2 THR 92 - HD3 LYS 76 OK 23 85 - 26 - 2299/1.8=6, 2254/3.5=3...(12) QD1 LEU 26 - HD3 LYS 76 lone 5 62 - 8 - 10877/6.1=2, 8800/11718=1 Peak 2311 from cnoeabs.peaks (1.53, 1.34, 27.80 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: HD2 LYS 76 + HD3 LYS 76 OK 99 99 - 100 - 1.8=100 * HG3 LYS 76 + HD3 LYS 76 OK 84 100 - 84 - 3.0=60, 4.1/2245=7...(33) HG2 LYS 93 - HD3 LYS 76 OK 36 100 - 36 - 2291=6, 2288/3.0=3...(17) HB2 LEU 29 - HD3 LYS 76 OK 35 100 - 35 - 1.8/2308=4, ~2297=3...(21) HB2 LYS 123 - HD3 LYS 76 OK 28 81 - 34 - 3.0/8666=5, 1.8/2308=4...(12) HG3 LYS 85 - HD3 LYS 76 OK 25 94 - 26 - 3.0/2309=2, 2278/3.0=2...(10) QB ALA 135 - HD3 LYS 76 OK 14 99 - 14 - 3.7/10464=3, 4.0/2308=1 HG3 PRO 57 - HD3 LYS 76 lone 4 89 - 5 - Peak 2312 from cnoeabs.peaks (1.53, 1.34, 27.80 ppm; 2.50 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 1.8=100 HG3 LYS 76 + HD3 LYS 76 OK 83 99 - 84 - 3.0=60, 4.1/2245=7...(33) HG2 LYS 93 - HD3 LYS 76 OK 35 99 - 36 - 2291=6, 2288/3.0=3...(17) HB2 LEU 29 - HD3 LYS 76 OK 33 94 - 35 - 1.8/2308=4, ~2297=3...(21) HG3 LYS 85 - HD3 LYS 76 OK 20 81 - 25 - 3.0/2309=2, 2278/3.0=2...(9) HB2 LYS 123 - HD3 LYS 76 OK 20 62 - 32 - 3.0/8666=5, 1.8/2308=4...(11) QB ALA 135 - HD3 LYS 76 OK 12 92 - 13 - 3.7/10464=3, 4.0/2308=1 HG2 ARG 55 - HD3 LYS 76 poor 9 72 - 12 - 1.8/9861=5, 9861=3 HG3 ARG 55 - HD3 LYS 76 poor 7 62 - 11 - 1.8/9861=6, 9861=2 HG3 PRO 57 - HD3 LYS 76 lone 3 72 - 5 - Peak 2313 from cnoeabs.peaks (1.34, 1.34, 27.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 76 + HD3 LYS 76 OK 100 100 - 100 Peak 2314 from cnoeabs.peaks (2.76, 1.34, 27.80 ppm; 3.03 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.0=100 HE3 LYS 76 + HD3 LYS 76 OK 99 99 - 100 - 3.0=100 HE2 LYS 114 - HD3 LYS 76 OK 32 100 - 32 - 2335=5, 2303/1.8=4...(15) HG3 MET 113 - HD3 LYS 76 OK 16 89 - 18 - 3.3/9334=2, 2303/1.8=2...(4) HB3 ASP 40 - HD3 LYS 76 lone 6 99 - 6 - HB3 PHE 43 - HD3 LYS 76 lone 6 77 - 8 - ~9881=2 HB3 ASP 137 - HD3 LYS 76 lone 6 77 - 8 - HB2 ASN 54 - HD3 LYS 76 lone 2 92 - 2 - HB2 ASP 41 - HD3 LYS 76 lone 2 68 - 3 - Peak 2315 from cnoeabs.peaks (2.76, 1.34, 27.80 ppm; 3.03 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HD3 LYS 76 OK 99 99 - 100 - 3.0=100 HE2 LYS 114 - HD3 LYS 76 OK 32 100 - 32 - 2335=5, 2304/1.8=4...(15) HG3 MET 113 - HD3 LYS 76 OK 13 72 - 18 - 3.3/9334=2, 2303/1.8=2...(4) HB3 ASP 40 - HD3 LYS 76 lone 6 92 - 6 - HB3 PHE 43 - HD3 LYS 76 lone 4 57 - 7 - ~9881=2 HB3 ASP 137 - HD3 LYS 76 lone 4 57 - 6 - HB2 ASP 41 - HD3 LYS 76 lone 3 85 - 3 - HB2 ASN 54 - HD3 LYS 76 lone 2 77 - 2 - Peak 2318 from cnoeabs.peaks (4.15, 2.76, 41.80 ppm; 4.34 A): 3 out of 21 assignments used, quality = 1.00: * HA LYS 76 + HE2 LYS 76 OK 96 100 - 96 - 6.2=34, 2245/3.0=29...(38) HA LYS 76 + HE3 LYS 76 OK 92 96 - 96 - 6.2=34, 2245/3.0=29...(38) HA LEU 126 + HE2 LYS 76 OK 46 100 - 47 - 2296/3.0=7, 2307/3.0=7...(14) HA LEU 126 - HE3 LYS 76 OK 42 94 - 45 - 2296/3.0=7, 2307/3.0=7...(14) HB2 SER 44 - HE2 LYS 76 OK 37 92 - 40 - 2296/3.0=6, 2307/3.0=6...(14) HB3 SER 44 - HE2 LYS 76 OK 36 92 - 40 - 2296/3.0=6, 2307/3.0=5...(14) HB2 SER 44 - HE3 LYS 76 OK 33 84 - 40 - 2296/3.0=6, 2307/3.0=6...(14) HB3 SER 44 - HE3 LYS 76 OK 33 84 - 40 - 2296/3.0=6, 2307/3.0=5...(14) HA LYS 76 - HE2 LYS 114 OK 22 90 - 24 - 2247=4, 4.1/2282=3...(10) HA GLU 131 - HE2 LYS 76 OK 16 89 - 18 - 4439/5.1=2, 4.2/9567=2...(9) HA GLU 131 - HE3 LYS 76 OK 15 81 - 18 - 4439/5.1=2, 4574/9641=2...(9) HA GLU 120 - HE2 LYS 76 OK 12 81 - 15 - 4013/5.1=3, 2296/3.0=2...(6) HA3 GLY 125 - HE2 LYS 76 OK 12 100 - 12 - 2251/5.1=2, 2307/3.0=2...(6) HA GLU 120 - HE3 LYS 76 OK 11 74 - 15 - 4013/5.1=3, 2296/3.0=2...(6) HA3 GLY 125 - HE3 LYS 76 OK 11 95 - 11 - 2251/5.1=2, 2307/3.0=2...(6) HA GLU 131 - HE2 LYS 114 OK 11 75 - 14 - ~7645=3, ~9550=2...(6) HA LEU 126 - HE2 LYS 114 lone 6 89 - 7 - HB2 SER 44 - HE2 LYS 114 lone 4 78 - 5 - HB3 SER 44 - HE2 LYS 114 lone 4 78 - 5 - HA GLU 120 - HE2 LYS 114 lone 2 68 - 4 - HA3 GLY 125 - HE2 LYS 114 lone 2 90 - 2 - Peak 2319 from cnoeabs.peaks (1.46, 2.76, 41.80 ppm; 2.90 A): 2 out of 18 assignments used, quality = 0.97: * HB2 LYS 76 + HE2 LYS 76 OK 84 100 - 84 - 5.1=19, 2297/3.0=10...(63) HB2 LYS 76 + HE3 LYS 76 OK 80 96 - 84 - 5.1=19, 2297/3.0=10...(63) HB3 LYS 123 - HE2 LYS 76 OK 33 94 - 35 - 2297/3.0=5, 2308/3.0=4...(13) HB3 LYS 123 - HE3 LYS 76 OK 30 87 - 35 - 2297/3.0=5, 2308/3.0=4...(13) HG LEU 126 - HE2 LYS 76 OK 21 98 - 21 - 2297/3.0=3, 2308/3.0=3...(10) HG LEU 126 - HE3 LYS 76 OK 20 92 - 22 - 2297/3.0=3, 2308/3.0=3...(10) HB2 LYS 76 - HE2 LYS 114 OK 12 90 - 13 - 3.5/2304=2, 3.5/2315=2...(6) HG2 LYS 48 - HE2 LYS 114 poor 10 72 - 14 - 3790/3.0=2, 3801/3.0=2...(4) HG2 LYS 48 - HE2 LYS 76 poor 9 85 - 10 - 2297/3.0=1, 2308/3.0=1 HB3 LEU 66 - HE2 LYS 76 lone 9 94 - 9 - 2275/3.9=2, 2297/3.0=2...(4) HG2 LYS 48 - HE3 LYS 76 poor 8 78 - 11 - 2297/3.0=1, 2308/3.0=1 HB3 LEU 66 - HE3 LYS 76 lone 8 87 - 9 - 2275/3.9=2, 2297/3.0=2...(4) HB3 LYS 123 - HE2 LYS 114 lone 6 81 - 8 - 3779/3.7=1, 3768/3.7=1 HG LEU 126 - HE2 LYS 114 lone 6 86 - 7 - 3801/3.0=1, 3768/3.7=1...(4) HB3 LEU 66 - HE2 LYS 114 lone 4 81 - 5 - HG3 LYS 86 - HE2 LYS 76 lone 3 85 - 4 - HG3 LYS 86 - HE3 LYS 76 lone 3 78 - 4 - HG3 LYS 86 - HE2 LYS 114 lone 2 72 - 3 - Peak 2320 from cnoeabs.peaks (1.86, 2.76, 41.80 ppm; 6.80 A): 8 out of 24 assignments used, quality = 1.00: * HB3 LYS 76 + HE2 LYS 76 OK 100 100 - 100 - 5.1=100 HB3 LYS 76 + HE3 LYS 76 OK 96 96 - 100 - 5.1=100 HB3 LYS 85 + HE2 LYS 76 OK 81 99 - 82 - 3.0/8864=11, 2269/3.0=11...(34) HG LEU 69 + HE2 LYS 76 OK 77 100 - 77 - 2033/3.9=14, ~2299=12...(19) HB3 LYS 85 + HE3 LYS 76 OK 76 93 - 81 - 2269/3.0=11, 3.0/8864=11...(31) HG LEU 69 + HE3 LYS 76 OK 73 95 - 77 - 2033/3.9=14, ~2299=12...(19) HB2 LYS 93 + HE2 LYS 76 OK 56 62 - 89 - ~2291=10, ~3038=10...(43) HB2 LYS 93 + HE3 LYS 76 OK 50 56 - 89 - ~2291=10, ~3038=10...(43) HB3 LYS 76 - HE2 LYS 114 OK 42 90 - 47 - 3.5/2304=6, 3.5/2315=6...(13) HB2 LYS 93 - HE2 LYS 114 OK 41 51 - 80 - ~3826=11, ~3039=10...(25) HB2 LYS 48 - HE2 LYS 76 OK 25 81 - 31 - ~2308=3, 2309/3.0=3...(14) HB2 LYS 48 - HE2 LYS 114 OK 23 68 - 34 - 4.3/3809=5, ~3790=5...(11) HB2 LYS 48 - HE3 LYS 76 OK 23 74 - 31 - ~2308=3, 2309/3.0=3...(14) HB3 GLU 28 - HE2 LYS 76 OK 21 100 - 21 - 2253/5.1=4, 2276/3.9=3...(7) HB3 GLU 28 - HE3 LYS 76 OK 20 95 - 21 - 2253/5.1=4, 2276/3.9=3...(7) HG LEU 69 - HE2 LYS 114 OK 15 90 - 16 - 2034/11093=2, 2029/6.3=2...(6) HB3 LYS 85 - HE2 LYS 114 OK 11 87 - 12 - 11054/8803=1, 3.0/8864=1 HB2 LYS 36 - HE2 LYS 114 poor 9 51 - 18 - ~651=4, ~676=3, ~3826=2...(6) HB3 GLU 28 - HE2 LYS 114 lone 7 90 - 8 - ~8054=1 HB2 ARG 144 - HE2 LYS 76 lone 6 68 - 9 - 2253/5.1=1 HB2 ARG 144 - HE3 LYS 76 lone 6 60 - 9 - 2253/5.1=1 HB2 LYS 36 - HE2 LYS 76 lone 5 62 - 8 - HB2 LYS 36 - HE3 LYS 76 lone 4 56 - 8 - HB2 ARG 144 - HE2 LYS 114 lone 3 55 - 5 - Peak 2321 from cnoeabs.peaks (1.16, 2.76, 41.80 ppm; 3.72 A): 4 out of 15 assignments used, quality = 1.00: * HG2 LYS 76 + HE2 LYS 76 OK 98 100 - 98 - 3.9=85, 2282/1.8=14...(46) HG2 LYS 76 + HE3 LYS 76 OK 94 96 - 98 - 3.9=85, 2282/1.8=14...(46) QD1 LEU 69 + HE2 LYS 76 OK 48 100 - 48 - 2310/3.0=8, 2299/3.0=8...(16) QD1 LEU 69 + HE3 LYS 76 OK 45 95 - 48 - 2310/3.0=8, 2299/3.0=8...(16) HB2 LEU 72 - HE2 LYS 76 OK 26 100 - 26 - 2299/3.0=4, 2310/3.0=4...(11) HB2 LEU 72 - HE3 LYS 76 OK 25 95 - 27 - 2299/3.0=4, 2310/3.0=4...(11) HG2 LYS 76 - HE2 LYS 114 OK 24 90 - 27 - 2282=5, 3.0/2304=4...(10) QG2 THR 92 - HE2 LYS 76 OK 21 85 - 25 - 2299/3.0=6, 2310/3.0=6...(6) QG2 THR 92 - HE3 LYS 76 OK 19 78 - 25 - 2299/3.0=6, 2310/3.0=6...(6) QD1 LEU 69 - HE2 LYS 114 poor 9 90 - 10 - 9895/8983=1, 8473/11719=1 HB2 LEU 72 - HE2 LYS 114 lone 6 90 - 7 - 3.2/8543=1 QG2 THR 92 - HE2 LYS 114 lone 5 72 - 7 - 10089/3.0=2 QD1 LEU 26 - HE2 LYS 76 lone 5 62 - 8 - 10877/7.4=2 QD1 LEU 26 - HE2 LYS 114 lone 4 51 - 9 - 270/4.9=1, ~3822=1 QD1 LEU 26 - HE3 LYS 76 lone 4 56 - 8 - 10877/7.4=2 Peak 2322 from cnoeabs.peaks (1.53, 2.76, 41.80 ppm; 2.77 A): 4 out of 24 assignments used, quality = 1.00: HD2 LYS 76 + HE2 LYS 76 OK 90 99 - 91 - 3.0=83, 3.0/2282=6...(29) HD2 LYS 76 + HE3 LYS 76 OK 85 93 - 91 - 3.0=83, 3.0/2282=6...(29) * HG3 LYS 76 + HE2 LYS 76 OK 79 100 - 79 - 3.9=35, 1.8/2282=7...(35) HG3 LYS 76 + HE3 LYS 76 OK 75 96 - 79 - 3.9=35, 1.8/2282=7...(35) HB2 LEU 29 - HE2 LYS 76 OK 29 100 - 30 - 2311/3.0=3, 1.8/2319=3...(15) HG2 LYS 93 - HE2 LYS 76 OK 29 100 - 29 - 2291/3.0=4, 2288/3.9=2...(12) HG2 LYS 93 - HE3 LYS 76 OK 28 96 - 29 - 2291/3.0=4, 2288/3.9=2...(12) HB2 LEU 29 - HE3 LYS 76 OK 28 94 - 29 - 2311/3.0=3, 1.8/2330=3...(14) HG3 LYS 85 - HE2 LYS 76 OK 25 94 - 27 - 8864/1.8=4, 2311/3.0=2...(10) HG2 LYS 93 - HE2 LYS 114 OK 25 90 - 28 - ~3826=4, 3050/3.0=3...(13) HD2 LYS 76 - HE2 LYS 114 OK 24 87 - 28 - 2304=4, 8664/3.7=3...(12) HG3 LYS 85 - HE3 LYS 76 OK 24 87 - 28 - 8864/1.8=4, 2311/3.0=2...(11) HB2 LYS 123 - HE2 LYS 76 OK 24 81 - 29 - 1.8/2319=3, ~8663=3...(15) HB2 LYS 123 - HE3 LYS 76 OK 22 74 - 29 - ~8663=3, 1.8/2319=3...(15) HB2 LEU 29 - HE2 LYS 114 OK 21 89 - 23 - 350/3.0=4, ~3827=3...(7) HG3 LYS 76 - HE2 LYS 114 OK 13 90 - 14 - 3.0/2304=2, 3.0/2315=2...(5) QB ALA 135 - HE2 LYS 76 OK 12 99 - 12 - 4.0/9641=2, 9645/1.8=2...(5) QB ALA 135 - HE3 LYS 76 OK 11 93 - 12 - 4.0/9641=2, 9645/1.8=1...(4) HG3 PRO 57 - HE2 LYS 114 lone 6 75 - 7 - QB ALA 135 - HE2 LYS 114 lone 5 87 - 6 - 4.0/9641=2 HG3 PRO 57 - HE2 LYS 76 lone 4 89 - 4 - HG3 PRO 57 - HE3 LYS 76 lone 3 81 - 4 - HB2 LYS 123 - HE2 LYS 114 lone 3 68 - 5 - HG3 LYS 85 - HE2 LYS 114 lone 2 81 - 2 - Peak 2323 from cnoeabs.peaks (1.53, 2.76, 41.80 ppm; 2.77 A): 4 out of 30 assignments used, quality = 1.00: * HD2 LYS 76 + HE2 LYS 76 OK 91 100 - 91 - 3.0=83, 3.0/2282=6...(29) HD2 LYS 76 + HE3 LYS 76 OK 87 96 - 91 - 3.0=83, 3.0/2282=6...(29) HG3 LYS 76 + HE2 LYS 76 OK 78 99 - 79 - 3.9=35, 1.8/2282=7...(35) HG3 LYS 76 + HE3 LYS 76 OK 73 93 - 79 - 3.9=35, 1.8/2282=7...(35) HG2 LYS 93 - HE2 LYS 76 OK 28 99 - 29 - 2291/3.0=4, 2288/3.9=2...(12) HB2 LEU 29 - HE2 LYS 76 OK 27 94 - 29 - 2311/3.0=3, 1.8/2319=3...(14) HG2 LYS 93 - HE3 LYS 76 OK 27 93 - 29 - 2291/3.0=4, 2288/3.9=2...(12) HD2 LYS 76 - HE2 LYS 114 OK 25 90 - 28 - 2304=4, 8664/3.7=4...(12) HB2 LEU 29 - HE3 LYS 76 OK 25 87 - 29 - 2311/3.0=3, 1.8/2330=3...(13) HG2 LYS 93 - HE2 LYS 114 OK 24 87 - 28 - ~3826=4, 3050/3.0=3...(13) HG3 LYS 85 - HE2 LYS 76 OK 20 81 - 25 - 8864/1.8=3, 2311/3.0=2...(9) HG3 LYS 85 - HE3 LYS 76 OK 19 74 - 25 - 8864/1.8=3, 2311/3.0=2...(11) HB2 LEU 29 - HE2 LYS 114 OK 19 81 - 23 - 350/3.0=4, ~3827=3...(7) HB2 LYS 123 - HE2 LYS 76 OK 17 62 - 28 - 1.8/2319=3, ~8663=3...(13) HB2 LYS 123 - HE3 LYS 76 OK 15 56 - 28 - ~8663=3, 1.8/2319=3...(13) HG3 LYS 76 - HE2 LYS 114 OK 13 87 - 14 - 3.0/2304=2, 3.0/2315=2...(5) QB ALA 135 - HE2 LYS 76 OK 11 92 - 12 - 4.0/9641=2, 9645/1.8=1...(4) QB ALA 135 - HE3 LYS 76 poor 9 84 - 11 - 4.0/9641=2, 9645/1.8=1...(4) HG2 ARG 55 - HE2 LYS 76 poor 7 72 - 10 - 9861/3.0=4, ~9861=4 HG2 ARG 55 - HE3 LYS 76 poor 7 65 - 10 - 9861/3.0=4, ~9861=4 HG3 ARG 55 - HE2 LYS 76 lone 5 62 - 9 - ~9861=4, 9861/3.0=2 HG3 ARG 55 - HE3 LYS 76 lone 5 56 - 9 - ~9861=4, 9861/3.0=2 QB ALA 135 - HE2 LYS 114 lone 4 78 - 5 - 4.0/9641=2 HG3 PRO 57 - HE2 LYS 114 lone 4 60 - 7 - HG3 PRO 57 - HE2 LYS 76 lone 3 72 - 4 - HG3 PRO 57 - HE3 LYS 76 lone 2 65 - 4 - HB2 LYS 123 - HE2 LYS 114 lone 2 51 - 4 - HG3 LYS 85 - HE2 LYS 114 lone 1 68 - 2 - HG2 ARG 55 - HE2 LYS 114 lone 0 60 - 1 - HG3 ARG 55 - HE2 LYS 114 lone 0 51 - 1 - Peak 2324 from cnoeabs.peaks (1.34, 2.76, 41.80 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 76 + HE2 LYS 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 + HE3 LYS 76 OK 96 96 - 100 - 3.0=100 HB3 ARG 49 - HE2 LYS 76 OK 36 100 - 36 - 2302/3.0=7, 2280/3.9=5...(14) HB3 ARG 49 - HE3 LYS 76 OK 34 95 - 36 - 2302/3.0=7, 2280/3.9=5...(14) HD3 LYS 76 - HE2 LYS 114 OK 31 90 - 35 - 2315=6, 1.8/2304=4...(18) QB ALA 60 - HE2 LYS 76 lone 9 94 - 9 - 2302/3.0=2, 2280/3.9=2...(4) QB ALA 60 - HE3 LYS 76 lone 8 87 - 9 - 2302/3.0=2, 2280/3.9=2...(4) HB3 ARG 49 - HE2 LYS 114 lone 5 90 - 5 - 3.7/3809=2, 1256/7.0=1 QB ALA 60 - HE2 LYS 114 lone 1 81 - 1 - Peak 2325 from cnoeabs.peaks (2.76, 2.76, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 76 + HE2 LYS 76 OK 100 100 - 100 HE3 LYS 76 + HE3 LYS 76 OK 93 93 - 100 HE2 LYS 114 + HE2 LYS 114 OK 90 90 - 100 Peak 2326 from cnoeabs.peaks (2.76, 2.76, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 76 + HE2 LYS 76 OK 99 99 - 100 HE3 LYS 76 + HE3 LYS 76 OK 96 96 - 100 HE2 LYS 114 + HE2 LYS 114 OK 89 89 - 100 Reference assignment not found: HE3 LYS 76 - HE2 LYS 76 Peak 2329 from cnoeabs.peaks (4.15, 2.76, 41.80 ppm; 4.28 A): 2 out of 21 assignments used, quality = 1.00: * HA LYS 76 + HE3 LYS 76 OK 96 100 - 96 - 6.2=32, 2245/3.0=28...(37) HA LYS 76 + HE2 LYS 76 OK 92 96 - 96 - 6.2=32, 2245/3.0=28...(37) HA LEU 126 - HE3 LYS 76 OK 44 100 - 45 - 2296/3.0=7, 2307/3.0=7...(14) HA LEU 126 - HE2 LYS 76 OK 42 94 - 45 - 2296/3.0=7, 2307/3.0=7...(15) HB2 SER 44 - HE3 LYS 76 OK 35 92 - 38 - 2296/3.0=5, 2307/3.0=5...(12) HB3 SER 44 - HE3 LYS 76 OK 35 92 - 38 - 2296/3.0=5, 2307/3.0=5...(12) HB2 SER 44 - HE2 LYS 76 OK 32 84 - 38 - 2296/3.0=5, 2307/3.0=5...(14) HB3 SER 44 - HE2 LYS 76 OK 32 84 - 38 - 2296/3.0=5, 2307/3.0=5...(14) HA LYS 76 - HE2 LYS 114 OK 20 87 - 23 - 2247=4, 4.1/2282=3...(9) HA GLU 131 - HE3 LYS 76 OK 16 89 - 17 - 4439/5.1=2, 4574/9641=2...(9) HA GLU 131 - HE2 LYS 76 OK 14 81 - 18 - 4439/5.1=2, 4574/9641=2...(9) HA GLU 120 - HE3 LYS 76 OK 12 81 - 15 - 4013/5.1=3, 2296/3.0=2...(6) HA3 GLY 125 - HE3 LYS 76 OK 11 100 - 11 - 2251/5.1=2, 2307/3.0=2...(6) HA GLU 120 - HE2 LYS 76 OK 11 74 - 15 - 4013/5.1=3, 2296/3.0=2...(6) HA3 GLY 125 - HE2 LYS 76 OK 11 95 - 11 - 2251/5.1=2, 2307/3.0=2...(6) HA GLU 131 - HE2 LYS 114 poor 10 71 - 14 - ~7645=3, ~9550=2...(6) HA LEU 126 - HE2 LYS 114 lone 5 85 - 6 - HB2 SER 44 - HE2 LYS 114 lone 4 75 - 5 - HB3 SER 44 - HE2 LYS 114 lone 4 75 - 5 - HA GLU 120 - HE2 LYS 114 lone 2 64 - 3 - HA3 GLY 125 - HE2 LYS 114 lone 1 86 - 2 - Peak 2330 from cnoeabs.peaks (1.46, 2.76, 41.80 ppm; 3.00 A): 2 out of 18 assignments used, quality = 0.98: * HB2 LYS 76 + HE3 LYS 76 OK 87 100 - 87 - 5.1=21, 2297/3.0=11...(63) HB2 LYS 76 + HE2 LYS 76 OK 83 96 - 87 - 5.1=21, 2297/3.0=11...(63) HB3 LYS 123 - HE3 LYS 76 OK 35 94 - 37 - 2297/3.0=5, 2308/3.0=5...(14) HB3 LYS 123 - HE2 LYS 76 OK 32 87 - 37 - 2297/3.0=5, 2308/3.0=5...(14) HG LEU 126 - HE3 LYS 76 OK 23 98 - 24 - 2297/3.0=4, 2308/3.0=3...(10) HG LEU 126 - HE2 LYS 76 OK 20 92 - 22 - 2297/3.0=4, 2308/3.0=3...(10) HB2 LYS 76 - HE2 LYS 114 OK 12 87 - 14 - 3.5/2304=2, 3.5/2315=2...(6) HG2 LYS 48 - HE3 LYS 76 poor 10 85 - 12 - 2297/3.0=2, 2308/3.0=2 HG2 LYS 48 - HE2 LYS 114 poor 10 68 - 15 - 3790/3.0=2, 3801/3.0=2...(5) HB3 LEU 66 - HE3 LYS 76 poor 10 94 - 10 - 2275/3.9=2, 2297/3.0=2...(5) HG2 LYS 48 - HE2 LYS 76 poor 9 78 - 11 - 2297/3.0=2, 2308/3.0=2 HB3 LEU 66 - HE2 LYS 76 lone 9 87 - 10 - 2275/3.9=2, 2297/3.0=2...(5) HB3 LYS 123 - HE2 LYS 114 lone 6 77 - 8 - 3779/3.7=1, 3768/3.7=1...(4) HG LEU 126 - HE2 LYS 114 lone 6 82 - 8 - 3801/3.0=1, 3768/3.7=1...(4) HB3 LEU 66 - HE2 LYS 114 lone 4 77 - 6 - HG3 LYS 86 - HE3 LYS 76 lone 4 85 - 4 - HG3 LYS 86 - HE2 LYS 76 lone 3 78 - 4 - HG3 LYS 86 - HE2 LYS 114 lone 2 68 - 3 - Peak 2331 from cnoeabs.peaks (1.86, 2.76, 41.80 ppm; 6.80 A): 8 out of 24 assignments used, quality = 1.00: * HB3 LYS 76 + HE3 LYS 76 OK 100 100 - 100 - 5.1=100 HB3 LYS 76 + HE2 LYS 76 OK 96 96 - 100 - 5.1=100 HB3 LYS 85 + HE3 LYS 76 OK 80 99 - 81 - 2269/3.0=11, 2276/3.9=10...(31) HG LEU 69 + HE3 LYS 76 OK 77 100 - 77 - 2033/3.9=14, ~2299=12...(18) HB3 LYS 85 + HE2 LYS 76 OK 76 93 - 82 - 2269/3.0=11, 3.0/8864=10...(34) HG LEU 69 + HE2 LYS 76 OK 73 95 - 77 - 2033/3.9=14, ~2299=12...(19) HB2 LYS 93 + HE3 LYS 76 OK 56 62 - 90 - ~2291=10, ~3038=10...(43) HB2 LYS 93 + HE2 LYS 76 OK 50 56 - 89 - ~2291=10, ~3038=10...(43) HB3 LYS 76 - HE2 LYS 114 OK 40 87 - 47 - 3.5/2304=6, 3.5/2315=6...(13) HB2 LYS 93 - HE2 LYS 114 OK 38 48 - 80 - ~3826=11, ~3039=10...(25) HB2 LYS 48 - HE3 LYS 76 OK 26 81 - 31 - ~2308=3, 2309/3.0=3...(14) HB2 LYS 48 - HE2 LYS 76 OK 23 74 - 31 - ~2308=3, 2309/3.0=3...(14) HB2 LYS 48 - HE2 LYS 114 OK 22 64 - 34 - ~3790=5, 4.3/3809=5...(11) HB3 GLU 28 - HE3 LYS 76 OK 21 100 - 21 - 2253/5.1=4, 2276/3.9=3...(7) HB3 GLU 28 - HE2 LYS 76 OK 20 95 - 21 - 2253/5.1=4, 2276/3.9=3...(7) HG LEU 69 - HE2 LYS 114 OK 15 86 - 17 - 4.6/902=2, 2034/11093=2...(5) HB3 LYS 85 - HE2 LYS 114 OK 10 84 - 12 - 11054/8803=1 HB2 LYS 36 - HE2 LYS 114 poor 9 48 - 18 - ~651=4, ~676=3, ~3826=2...(6) HB3 GLU 28 - HE2 LYS 114 lone 7 86 - 8 - ~8054=1 HB2 ARG 144 - HE3 LYS 76 lone 6 68 - 9 - 2253/5.1=1 HB2 ARG 144 - HE2 LYS 76 lone 6 60 - 9 - 2253/5.1=1 HB2 LYS 36 - HE3 LYS 76 lone 5 62 - 8 - HB2 LYS 36 - HE2 LYS 76 lone 4 56 - 8 - HB2 ARG 144 - HE2 LYS 114 lone 2 52 - 4 - Peak 2332 from cnoeabs.peaks (1.16, 2.76, 41.80 ppm; 3.82 A): 4 out of 15 assignments used, quality = 1.00: * HG2 LYS 76 + HE3 LYS 76 OK 99 100 - 99 - 3.9=92, 2282/1.8=15...(46) HG2 LYS 76 + HE2 LYS 76 OK 95 96 - 99 - 3.9=92, 2282/1.8=15...(46) QD1 LEU 69 + HE3 LYS 76 OK 50 100 - 50 - 2310/3.0=9, 2299/3.0=9...(16) QD1 LEU 69 + HE2 LYS 76 OK 47 95 - 50 - 2310/3.0=9, 2299/3.0=9...(16) HB2 LEU 72 - HE3 LYS 76 OK 28 100 - 28 - 2299/3.0=5, 2310/3.0=4...(10) HB2 LEU 72 - HE2 LYS 76 OK 26 95 - 27 - 2299/3.0=5, 2310/3.0=4...(10) HG2 LYS 76 - HE2 LYS 114 OK 24 87 - 27 - 2282=5, 3.0/2304=4...(10) QG2 THR 92 - HE3 LYS 76 OK 22 85 - 26 - 2299/3.0=6, 2310/3.0=6...(6) QG2 THR 92 - HE2 LYS 76 OK 20 78 - 26 - 2299/3.0=6, 2310/3.0=6...(6) QD1 LEU 69 - HE2 LYS 114 poor 10 86 - 11 - 8473/11719=1 HB2 LEU 72 - HE2 LYS 114 lone 6 86 - 7 - 3.2/8543=1 QD1 LEU 26 - HE3 LYS 76 lone 5 62 - 8 - 10877/7.4=2 QG2 THR 92 - HE2 LYS 114 lone 5 68 - 7 - 10089/3.0=2 QD1 LEU 26 - HE2 LYS 76 lone 5 56 - 8 - 10877/7.4=2 QD1 LEU 26 - HE2 LYS 114 lone 4 48 - 9 - 270/4.9=1, ~3822=1 Peak 2333 from cnoeabs.peaks (1.53, 2.76, 41.80 ppm; 2.84 A): 4 out of 24 assignments used, quality = 1.00: HD2 LYS 76 + HE3 LYS 76 OK 94 99 - 95 - 3.0=89, 3.0/2282=6...(30) HD2 LYS 76 + HE2 LYS 76 OK 88 93 - 95 - 3.0=89, 3.0/2282=6...(29) * HG3 LYS 76 + HE3 LYS 76 OK 81 100 - 81 - 3.9=38, 1.8/2282=8...(37) HG3 LYS 76 + HE2 LYS 76 OK 78 96 - 81 - 3.9=38, 1.8/2282=8...(37) HG2 LYS 93 - HE3 LYS 76 OK 31 100 - 31 - 2291/3.0=5, 1.8/3815=3...(16) HB2 LEU 29 - HE3 LYS 76 OK 31 100 - 31 - 2311/3.0=3, 1.8/2330=3...(15) HB2 LEU 29 - HE2 LYS 76 OK 29 94 - 31 - 2311/3.0=3, 1.8/2319=3...(16) HG2 LYS 93 - HE2 LYS 76 OK 29 96 - 31 - 2291/3.0=5, 2288/3.9=3...(15) HG3 LYS 85 - HE3 LYS 76 OK 28 94 - 29 - 8864/1.8=4, 2311/3.0=2...(15) HG2 LYS 93 - HE2 LYS 114 OK 26 87 - 30 - ~3826=4, 3050/3.0=3...(13) HB2 LYS 123 - HE3 LYS 76 OK 26 81 - 31 - ~8663=3, 1.8/2330=3...(16) HD2 LYS 76 - HE2 LYS 114 OK 25 84 - 29 - 2304=5, 8664/3.7=4...(12) HG3 LYS 85 - HE2 LYS 76 OK 24 87 - 28 - 8864/1.8=4, 2311/3.0=2...(13) HB2 LYS 123 - HE2 LYS 76 OK 23 74 - 31 - ~8663=3, 1.8/2319=3...(16) HB2 LEU 29 - HE2 LYS 114 OK 21 85 - 25 - 350/3.0=4, ~3827=3...(8) HG3 LYS 76 - HE2 LYS 114 OK 13 87 - 15 - 3.0/2304=3, 3.0/2315=3...(5) QB ALA 135 - HE3 LYS 76 OK 12 99 - 13 - 4.0/9641=2, 9645/1.8=2...(4) QB ALA 135 - HE2 LYS 76 OK 12 93 - 13 - 4.0/9641=2, 9645/1.8=2...(4) HG3 PRO 57 - HE2 LYS 114 lone 6 71 - 8 - ~3822=1 QB ALA 135 - HE2 LYS 114 lone 5 84 - 6 - 4.0/9641=2 HG3 PRO 57 - HE3 LYS 76 lone 4 89 - 4 - HG3 PRO 57 - HE2 LYS 76 lone 3 81 - 4 - HB2 LYS 123 - HE2 LYS 114 lone 3 64 - 5 - HG3 LYS 85 - HE2 LYS 114 lone 2 77 - 2 - Peak 2334 from cnoeabs.peaks (1.53, 2.76, 41.80 ppm; 2.84 A): 4 out of 30 assignments used, quality = 1.00: * HD2 LYS 76 + HE3 LYS 76 OK 95 100 - 95 - 3.0=89, 3.0/2282=6...(30) HD2 LYS 76 + HE2 LYS 76 OK 91 96 - 95 - 3.0=89, 3.0/2282=6...(29) HG3 LYS 76 + HE3 LYS 76 OK 80 99 - 81 - 3.9=38, 1.8/2282=8...(37) HG3 LYS 76 + HE2 LYS 76 OK 75 93 - 81 - 3.9=38, 1.8/2282=8...(37) HG2 LYS 93 - HE3 LYS 76 OK 31 99 - 31 - 2291/3.0=5, 1.8/3815=3...(16) HB2 LEU 29 - HE3 LYS 76 OK 29 94 - 31 - 2311/3.0=3, 1.8/2330=3...(15) HG2 LYS 93 - HE2 LYS 76 OK 28 93 - 30 - 2291/3.0=5, 2288/3.9=2...(15) HB2 LEU 29 - HE2 LYS 76 OK 27 87 - 31 - 2311/3.0=3, 1.8/2319=3...(16) HD2 LYS 76 - HE2 LYS 114 OK 26 87 - 30 - 2304=5, 8664/3.7=4...(12) HG2 LYS 93 - HE2 LYS 114 OK 25 84 - 29 - ~3826=4, 3050/3.0=3...(13) HG3 LYS 85 - HE3 LYS 76 OK 22 81 - 27 - 8864/1.8=3, 2311/3.0=2...(14) HG3 LYS 85 - HE2 LYS 76 OK 19 74 - 26 - 8864/1.8=3, 2311/3.0=2...(13) HB2 LYS 123 - HE3 LYS 76 OK 19 62 - 30 - ~8663=3, 1.8/2330=3...(15) HB2 LEU 29 - HE2 LYS 114 OK 19 77 - 24 - 350/3.0=4, ~3827=3...(8) HB2 LYS 123 - HE2 LYS 76 OK 16 56 - 29 - ~8663=3, 1.8/2319=3...(14) HG3 LYS 76 - HE2 LYS 114 OK 12 84 - 15 - 3.0/2304=3, 3.0/2315=3...(5) QB ALA 135 - HE3 LYS 76 OK 11 92 - 12 - 4.0/9641=2, 9645/1.8=1...(4) QB ALA 135 - HE2 LYS 76 OK 10 84 - 12 - 4.0/9641=2, 9645/1.8=1...(4) HG2 ARG 55 - HE3 LYS 76 poor 8 72 - 11 - 9861/3.0=4, ~9861=4 HG2 ARG 55 - HE2 LYS 76 poor 7 65 - 11 - 9861/3.0=4, ~9861=4 HG3 ARG 55 - HE3 LYS 76 lone 6 62 - 9 - ~9861=4, 9861/3.0=2 HG3 ARG 55 - HE2 LYS 76 lone 5 56 - 9 - ~9861=4, 9861/3.0=2 QB ALA 135 - HE2 LYS 114 lone 4 75 - 6 - 4.0/9641=2 HG3 PRO 57 - HE2 LYS 114 lone 4 56 - 7 - ~3822=1 HG3 PRO 57 - HE3 LYS 76 lone 3 72 - 4 - HG3 PRO 57 - HE2 LYS 76 lone 3 65 - 4 - HB2 LYS 123 - HE2 LYS 114 lone 2 48 - 4 - HG3 LYS 85 - HE2 LYS 114 lone 1 64 - 2 - HG2 ARG 55 - HE2 LYS 114 lone 0 56 - 1 - HG3 ARG 55 - HE2 LYS 114 lone 0 48 - 1 - Peak 2335 from cnoeabs.peaks (1.34, 2.76, 41.80 ppm; 3.24 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 76 + HE3 LYS 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 + HE2 LYS 76 OK 96 96 - 100 - 3.0=100 HB3 ARG 49 - HE3 LYS 76 OK 37 100 - 37 - 2302/3.0=8, 2280/3.9=6...(14) HB3 ARG 49 - HE2 LYS 76 OK 36 95 - 37 - 2302/3.0=8, 2280/3.9=6...(14) HD3 LYS 76 - HE2 LYS 114 OK 31 87 - 36 - 2315=6, 1.8/2304=5...(17) QB ALA 60 - HE3 LYS 76 lone 9 94 - 9 - 2302/3.0=2, 2280/3.9=2...(4) QB ALA 60 - HE2 LYS 76 lone 8 87 - 9 - 2302/3.0=2, 2280/3.9=2...(4) HB3 ARG 49 - HE2 LYS 114 lone 5 86 - 6 - 3.7/3809=2, 1256/7.0=2 QB ALA 60 - HE2 LYS 114 lone 1 77 - 1 - Peak 2336 from cnoeabs.peaks (2.76, 2.76, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 76 + HE3 LYS 76 OK 99 99 - 100 HE2 LYS 76 + HE2 LYS 76 OK 96 96 - 100 HE2 LYS 114 + HE2 LYS 114 OK 86 86 - 100 Reference assignment not found: HE2 LYS 76 - HE3 LYS 76 Peak 2337 from cnoeabs.peaks (2.76, 2.76, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 76 + HE3 LYS 76 OK 100 100 - 100 HE2 LYS 76 + HE2 LYS 76 OK 93 93 - 100 HE2 LYS 114 + HE2 LYS 114 OK 85 85 - 100 Peak 2339 from cnoeabs.peaks (7.36, 3.51, 44.31 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 77 + HA2 GLY 77 OK 100 100 - 100 - 3.0=100 QD PHE 43 - HA2 GLY 77 lone 6 85 - 7 - 2343/1.8=2, 6836/3.6=2, ~10826=1 Peak 2340 from cnoeabs.peaks (3.51, 3.51, 44.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 77 + HA2 GLY 77 OK 100 100 - 100 Peak 2341 from cnoeabs.peaks (4.35, 3.51, 44.31 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 77 + HA2 GLY 77 OK 100 100 - 100 - 1.8=100 HA ARG 144 - HA2 GLY 77 OK 18 94 - 19 - 6833/3.0=3, 3.0/8685=2...(11) HB THR 51 - HA2 GLY 77 OK 13 89 - 14 - 2.1/8214=3, 8210=2...(7) HA ASP 65 - HA2 GLY 77 OK 11 100 - 11 - 6833/3.0=2, 6838/3.6=1 Peak 2342 from cnoeabs.peaks (8.34, 3.51, 44.31 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 78 + HA2 GLY 77 OK 100 100 - 100 - 3.6=100 H ASP 13 - HA2 GLY 77 lone 6 96 - 6 - 6834/3.0=3, 2346/1.8=2 Peak 2343 from cnoeabs.peaks (7.36, 4.35, 44.31 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 77 + HA3 GLY 77 OK 100 100 - 100 - 3.0=100 QD PHE 43 - HA3 GLY 77 lone 7 85 - 7 - 2339/1.8=2, 6836/3.6=2, ~10826=1 Peak 2344 from cnoeabs.peaks (3.51, 4.35, 44.31 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 77 + HA3 GLY 77 OK 100 100 - 100 - 1.8=100 HB2 PHE 45 - HA3 GLY 77 OK 27 100 - 27 - 2344=9, ~1034=4...(8) Peak 2345 from cnoeabs.peaks (4.35, 4.35, 44.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 77 + HA3 GLY 77 OK 100 100 - 100 Peak 2346 from cnoeabs.peaks (8.34, 4.35, 44.31 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 78 + HA3 GLY 77 OK 100 100 - 100 - 3.6=100 H ASP 13 - HA3 GLY 77 lone 6 96 - 6 - 6834/3.0=3, 2342/1.8=3 Peak 2348 from cnoeabs.peaks (3.08, 3.08, 43.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 78 + HA2 GLY 78 OK 100 100 - 100 Peak 2349 from cnoeabs.peaks (4.28, 3.08, 43.05 ppm; 4.73 A): 3 out of 9 assignments used, quality = 1.00: * HA3 GLY 78 + HA2 GLY 78 OK 100 100 - 100 - 1.8=100 HA ARG 49 + HA2 GLY 78 OK 59 94 - 62 - 1245=11, 3.0/1254=9...(16) HA LEU 95 + HA2 GLY 78 OK 46 92 - 50 - ~8708=13, ~8708=9...(11) HA ARG 140 - HA2 GLY 78 OK 18 100 - 18 - 6840/3.0=4, 8609/8607=3...(6) HA PRO 118 - HA2 GLY 78 OK 14 100 - 14 - 3.6/7469=3, 3.8/11552=2...(6) HA THR 18 - HA2 GLY 78 lone 6 85 - 7 - 11273/10939=3 HA ARG 89 - HA2 GLY 78 lone 5 68 - 8 - 8574/8705=2, 8609/8607=1 HA SER 138 - HA2 GLY 78 lone 3 62 - 5 - HB THR 99 - HA2 GLY 78 lone 3 68 - 4 - Peak 2351 from cnoeabs.peaks (8.34, 4.28, 43.05 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 78 + HA3 GLY 78 OK 100 100 - 100 - 3.0=100 H ASP 13 - HA3 GLY 78 lone 8 96 - 8 - 11400/1.8=3, 6843/3.6=2 Peak 2352 from cnoeabs.peaks (3.08, 4.28, 43.05 ppm; 4.30 A): 2 out of 5 assignments used, quality = 1.00: * HA2 GLY 78 + HA3 GLY 78 OK 100 100 - 100 - 1.8=100 HD3 ARG 49 + HA3 GLY 78 OK 60 100 - 60 - 6839/3.0=9, ~1290=7...(17) HA TYR 119 - HA3 GLY 78 OK 17 100 - 17 - 6844/3.6=4, 6839/3.0=2...(7) HB3 TRP 88 - HA3 GLY 78 poor 10 72 - 14 - ~8694=2, ~2832=2...(6) HB3 ASP 30 - HA3 GLY 78 lone 2 72 - 2 - Peak 2353 from cnoeabs.peaks (4.28, 4.28, 43.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 78 + HA3 GLY 78 OK 100 100 - 100 Peak 2354 from cnoeabs.peaks (8.82, 4.28, 43.05 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 79 + HA3 GLY 78 OK 100 100 - 100 - 3.6=100 Peak 2355 from cnoeabs.peaks (8.82, 3.12, 58.71 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 79 + HA LEU 79 OK 100 100 - 100 - 2.8=100 Peak 2356 from cnoeabs.peaks (3.12, 3.12, 58.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 79 + HA LEU 79 OK 100 100 - 100 Peak 2357 from cnoeabs.peaks (1.59, 3.12, 58.71 ppm; 4.33 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.0=100 HG3 LYS 36 - HA LEU 79 OK 38 100 - 39 - 6857/3.6=5, 2391/3.8=5...(15) HD2 LYS 61 - HA LEU 79 OK 35 100 - 35 - 2357=5, 1.8/2357=4...(11) HD3 LYS 61 - HA LEU 79 OK 35 100 - 35 - 2357=5, 1.8/2357=4...(11) HG LEU 108 - HA LEU 79 OK 19 77 - 25 - 3.0/10546=4, 3.0/10545=3...(11) HB2 LEU 97 - HA LEU 79 OK 19 85 - 22 - 3.2/10110=4, 2357=3...(9) HG2 ARG 141 - HA LEU 79 poor 9 81 - 11 - 6857/3.6=2, 2357=1 HG2 ARG 144 - HA LEU 79 lone 8 94 - 8 - 2357=1 HG3 LYS 48 - HA LEU 79 lone 6 96 - 6 - Peak 2358 from cnoeabs.peaks (1.55, 3.12, 58.71 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 55 - HA LEU 79 OK 42 99 - 43 - 2368/3.0=6, 2392/3.8=5...(11) HG2 ARG 55 - HA LEU 79 OK 41 96 - 42 - 2368/3.0=6, 2392/3.8=5...(11) HG2 ARG 109 - HA LEU 79 OK 36 72 - 50 - 2.8/2364=7, 2368/3.0=6...(24) Peak 2359 from cnoeabs.peaks (1.31, 3.12, 58.71 ppm; 4.65 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.7=100 HG12 ILE 83 + HA LEU 79 OK 72 100 - 72 - 10773=14, 2.1/10008=10...(17) HG LEU 87 + HA LEU 79 OK 59 94 - 63 - ~8890=21, 2359=10...(14) HG3 LYS 24 - HA LEU 79 OK 27 99 - 27 - 2359=5, 2393/3.8=4...(8) HG2 LYS 85 - HA LEU 79 poor 9 72 - 12 - 2369/3.0=2, 2393/3.8=1 Peak 2360 from cnoeabs.peaks (0.62, 3.12, 58.71 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.8=100 QD2 LEU 64 - HA LEU 79 OK 27 77 - 35 - 6850/2.8=8, 2370/3.0=7...(7) Peak 2361 from cnoeabs.peaks (0.78, 3.12, 58.71 ppm; 3.25 A): 5 out of 5 assignments used, quality = 0.95: * QD1 LEU 79 + HA LEU 79 OK 76 100 - 76 - 4.0=53, 2397/2.8=11...(11) QD2 LEU 126 + HA LEU 79 OK 40 89 - 45 - ~10350=10, 2361=7...(12) QD2 LEU 95 + HA LEU 79 OK 31 99 - 31 - 2398=6, 2402/3.8=5...(8) QG2 THR 74 + HA LEU 79 OK 28 100 - 28 - 2361=5, 6851/2.8=4...(9) QG1 VAL 80 + HA LEU 79 OK 27 62 - 43 - 2.1/2426=8, 2361=7...(15) Peak 2363 from cnoeabs.peaks (7.63, 3.12, 58.71 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.83: * H VAL 82 + HA LEU 79 OK 78 100 - 78 - 4.0/8794=26, 6884=16...(12) H LEU 66 + HA LEU 79 OK 21 94 - 23 - 11441/4.0=5, 2485/8794=4...(8) H GLU 122 - HA LEU 79 lone 10 98 - 10 - 9452/8714=2, 9921/8715=2...(4) H LYS 93 - HA LEU 79 lone 6 85 - 7 - 2485/8794=2 HD21 ASN 130 - HA LEU 79 lone 2 85 - 2 - Peak 2364 from cnoeabs.peaks (1.37, 3.12, 58.71 ppm; 4.10 A): 5 out of 6 assignments used, quality = 0.93: * HB VAL 82 + HA LEU 79 OK 71 100 - 71 - 2.1/8794=29, 2478=18...(9) HG LEU 132 + HA LEU 79 OK 44 96 - 46 - 2.1/8714=18, 2.1/9581=12...(13) HB2 ARG 109 + HA LEU 79 OK 37 89 - 41 - 2364=7, 2.8/2358=5...(20) HB2 LEU 69 + HA LEU 79 OK 15 77 - 20 - 8469/4.0=5, 11557/3.8=4...(4) HB3 LEU 39 + HA LEU 79 OK 15 98 - 15 - 838/4.8=3, 2487/8794=2...(4) HG2 ARG 49 - HA LEU 79 lone 6 62 - 9 - 2364=2, ~6844=2 Peak 2366 from cnoeabs.peaks (3.12, 1.59, 41.06 ppm; 5.00 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.0=100 HA VAL 80 + HB2 LEU 79 OK 66 81 - 81 - ~6860=17, 8744/3.0=12...(31) HD2 ARG 109 + HB2 LEU 79 OK 54 81 - 66 - ~11019=9, ~9275=9...(25) HB3 ASN 96 - HB2 LEU 79 OK 30 72 - 42 - ~9083=10, ~10121=7...(14) HB3 PHE 106 - HB2 LEU 79 OK 28 100 - 28 - ~9979=4, 3.0/11130=4...(13) HD3 ARG 145 - HB2 LEU 79 OK 17 94 - 18 - 2374/1.8=2, 2390/3.1=2...(8) HD2 ARG 145 - HB2 LEU 79 OK 16 92 - 17 - 2374/1.8=2, 2390/3.1=2...(8) HA ALA 105 - HB2 LEU 79 lone 5 62 - 7 - 10196/4.1=1 Peak 2367 from cnoeabs.peaks (1.59, 1.59, 41.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 79 + HB2 LEU 79 OK 100 100 - 100 Peak 2368 from cnoeabs.peaks (1.55, 1.59, 41.06 ppm; 4.37 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 1.8=100 HG3 ARG 55 + HB2 LEU 79 OK 47 99 - 48 - 2392/3.1=6, 2358/3.0=6...(18) HG2 ARG 55 + HB2 LEU 79 OK 47 96 - 48 - 2392/3.1=6, 2358/3.0=6...(18) HG2 ARG 109 + HB2 LEU 79 OK 46 72 - 64 - 2392/3.1=7, ~11019=5...(33) Peak 2369 from cnoeabs.peaks (1.31, 1.59, 41.06 ppm; 4.62 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.0=100 HG12 ILE 83 + HB2 LEU 79 OK 78 100 - 79 - 10773/3.0=11, ~10022=10...(29) HG LEU 87 + HB2 LEU 79 OK 74 94 - 78 - ~8890=28, ~8890=10...(26) HG3 LYS 24 - HB2 LEU 79 OK 31 99 - 31 - 2393/3.1=5, 2377/1.8=4...(13) HG2 LYS 85 - HB2 LEU 79 OK 15 72 - 20 - ~2585=3, ~2597=3...(8) Peak 2370 from cnoeabs.peaks (0.62, 1.59, 41.06 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 - HB2 LEU 79 OK 33 77 - 42 - 2378/1.8=9, 6850/3.6=8...(10) Peak 2371 from cnoeabs.peaks (0.78, 1.59, 41.06 ppm; 4.38 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.1=100 QD2 LEU 95 + HB2 LEU 79 OK 73 99 - 74 - 2402/3.1=9, 2379/1.8=8...(26) QD2 LEU 126 + HB2 LEU 79 OK 63 89 - 71 - 2.1/2370=14, ~2378=10...(22) QG2 THR 74 + HB2 LEU 79 OK 57 100 - 57 - 2395/3.1=7, ~8605=7...(19) QG1 VAL 80 + HB2 LEU 79 OK 45 62 - 73 - 2419/4.1=10, 2379/1.8=7...(29) Peak 2374 from cnoeabs.peaks (3.12, 1.55, 41.06 ppm; 5.31 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.0=100 HA VAL 80 + HB3 LEU 79 OK 70 81 - 86 - ~6860=19, 8744/3.0=13...(35) HD2 ARG 109 + HB3 LEU 79 OK 58 81 - 72 - ~11019=10, ~9275=10...(29) HB3 ASN 96 - HB3 LEU 79 OK 33 72 - 45 - ~9083=11, ~10121=8...(14) HB3 PHE 106 - HB3 LEU 79 OK 29 100 - 29 - ~9979=4, 2366/1.8=4...(12) HD3 ARG 145 - HB3 LEU 79 OK 19 94 - 20 - 2366/1.8=2, 2390/3.1=2...(10) HD2 ARG 145 - HB3 LEU 79 OK 18 92 - 20 - 2366/1.8=2, 2390/3.1=2...(10) HA ALA 105 - HB3 LEU 79 lone 5 62 - 8 - 10196/4.1=1 Peak 2375 from cnoeabs.peaks (1.59, 1.55, 41.06 ppm; 4.67 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 1.8=100 HG3 LYS 36 + HB3 LEU 79 OK 48 100 - 49 - 2391/3.1=6, ~11004=5...(21) HD2 LYS 61 - HB3 LEU 79 OK 42 100 - 42 - 2391/3.1=5, 2357/3.0=5...(14) HD3 LYS 61 - HB3 LEU 79 OK 42 100 - 42 - 2391/3.1=5, 2357/3.0=5...(14) HG LEU 108 - HB3 LEU 79 OK 22 77 - 28 - ~10546=5, ~10545=3...(16) HB2 LEU 97 - HB3 LEU 79 OK 18 85 - 21 - ~10110=3, 2357/3.0=2...(9) HG2 ARG 141 - HB3 LEU 79 OK 10 81 - 12 - 6857/4.1=2, 2357/3.0=1 HG2 ARG 144 - HB3 LEU 79 lone 9 94 - 9 - 2357/3.0=1, 2391/3.1=1 HG3 LYS 48 - HB3 LEU 79 lone 8 96 - 9 - 2811/8890=2 Peak 2376 from cnoeabs.peaks (1.55, 1.55, 41.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + HB3 LEU 79 OK 100 100 - 100 Peak 2377 from cnoeabs.peaks (1.31, 1.55, 41.06 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.0=100 HG12 ILE 83 + HB3 LEU 79 OK 96 100 - 96 - 10773/3.0=19...(36) HG LEU 87 + HB3 LEU 79 OK 86 94 - 91 - 2.1/8890=37, 2369/1.8=13...(29) HG3 LYS 24 + HB3 LEU 79 OK 50 99 - 51 - 2369/1.8=6, 2393/3.1=6...(15) HG2 LYS 85 - HB3 LEU 79 OK 31 72 - 42 - ~2585=7, ~2597=6...(15) Peak 2378 from cnoeabs.peaks (0.62, 1.55, 41.06 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 - HB3 LEU 79 OK 33 77 - 43 - 2370/1.8=10, 6850/3.6=8...(10) Peak 2379 from cnoeabs.peaks (0.78, 1.55, 41.06 ppm; 4.48 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.1=100 QD2 LEU 95 + HB3 LEU 79 OK 75 99 - 76 - 2402/3.1=10, 2371/1.8=9...(26) QD2 LEU 126 + HB3 LEU 79 OK 64 89 - 72 - 2.1/2378=14, ~2370=10...(22) QG2 THR 74 + HB3 LEU 79 OK 60 100 - 60 - 2395/3.1=7, ~8605=7...(19) QG1 VAL 80 + HB3 LEU 79 OK 46 62 - 74 - 2419/4.1=10, 2371/1.8=8...(30) Peak 2382 from cnoeabs.peaks (3.12, 1.31, 26.38 ppm; 6.29 A): 3 out of 16 assignments used, quality = 1.00: * HA LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.7=100 HA VAL 80 + HG LEU 79 OK 74 81 - 91 - ~6860=31, 8744=15...(31) HD2 ARG 109 + HG LEU 79 OK 60 81 - 73 - 1.8/11019=18, ~9275=14...(21) HB3 ASN 96 - HG LEU 79 OK 42 72 - 58 - ~9083=19, ~10121=13...(11) HA LEU 79 - HG LEU 87 OK 39 52 - 75 - ~8890=33, 3.0/2369=12...(15) HB3 PHE 106 - HG LEU 79 OK 39 100 - 39 - 4.0/9226=12, ~9979=7...(9) HD3 ARG 145 - HG LEU 79 OK 23 94 - 24 - 2374/3.0=3, 2390/2.1=2...(10) HD2 ARG 145 - HG LEU 79 OK 21 92 - 23 - 2374/3.0=2, 2390/2.1=2...(10) HA VAL 80 - HG LEU 87 OK 13 36 - 37 - 4.8/2359=8, 2.8/6859=6...(14) HA ALA 105 - HG LEU 79 OK 13 62 - 21 - 3.6/9226=13, 10202/11019=1 HB3 PHE 106 - HG LEU 87 poor 9 52 - 17 - 4.0/9226=9, ~11130=1 HD2 ARG 109 - HG LEU 87 poor 7 36 - 19 - 1.8/11019=5, ~8890=4...(4) HA ALA 105 - HG LEU 87 poor 4 26 - 17 - 3.6/9226=10, 9185/10133=3 HD3 ARG 145 - HG LEU 87 lone 3 45 - 6 - HB3 ASN 96 - HG LEU 87 lone 3 31 - 8 - HD2 ARG 145 - HG LEU 87 lone 2 43 - 5 - Peak 2383 from cnoeabs.peaks (1.59, 1.31, 26.38 ppm; 3.53 A): 1 out of 18 assignments used, quality = 1.00: * HB2 LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.0=100 HB2 LEU 79 - HG LEU 87 OK 30 52 - 58 - ~8890=18, 3.1/2393=6...(24) HG3 LYS 36 - HG LEU 79 OK 29 100 - 29 - 2391/2.1=5, 2399/2.1=4...(11) HD2 LYS 61 - HG LEU 79 OK 25 100 - 25 - 2391/2.1=4, 2399/2.1=3...(11) HD3 LYS 61 - HG LEU 79 OK 25 100 - 25 - 2391/2.1=4, 2399/2.1=3...(11) HG3 LYS 48 - HG LEU 87 OK 16 47 - 35 - ~10771=5, ~11145=5...(11) HB2 LEU 97 - HG LEU 79 OK 14 85 - 16 - 4.8/9146=3, 4.8/9145=3...(6) HG LEU 108 - HG LEU 79 poor 9 77 - 12 - 2391/2.1=2, 2375/3.0=1 HB2 LEU 97 - HG LEU 87 poor 7 38 - 19 - 4.8/9145=5, 4.8/9146=4...(5) HG2 ARG 144 - HG LEU 87 poor 6 45 - 14 - ~10061=1, ~2811=1...(6) HG3 LYS 48 - HG LEU 79 lone 5 96 - 5 - HG2 ARG 141 - HG LEU 79 lone 5 81 - 6 - HD2 LYS 61 - HG LEU 87 lone 4 51 - 9 - ~8336=4, ~8336=2 HD3 LYS 61 - HG LEU 87 lone 4 51 - 9 - ~8336=4, ~8336=2 HG2 ARG 144 - HG LEU 79 lone 4 94 - 5 - HG LEU 108 - HG LEU 87 lone 3 33 - 9 - 2.1/10231=2 HG3 LYS 36 - HG LEU 87 lone 3 51 - 5 - HG2 ARG 141 - HG LEU 87 lone 1 36 - 2 - Peak 2384 from cnoeabs.peaks (1.55, 1.31, 26.38 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.0=100 HB3 LEU 79 - HG LEU 87 OK 28 52 - 54 - 8890/2.1=25, 3.1/2393=5...(19) HG3 ARG 55 - HG LEU 79 OK 27 99 - 28 - 2392/2.1=4, 2400/2.1=4...(11) HG2 ARG 55 - HG LEU 79 OK 27 96 - 28 - 2392/2.1=4, 2400/2.1=3...(11) HG2 ARG 109 - HG LEU 79 OK 26 72 - 37 - 2392/2.1=5, 3.0/10238=4...(16) HG3 ARG 55 - HG LEU 87 lone 3 49 - 7 - 8890/2.1=3, ~8890=2 HG2 ARG 55 - HG LEU 87 lone 3 47 - 7 - 8890/2.1=3, ~8890=2 HG2 ARG 109 - HG LEU 87 lone 2 31 - 7 - 8890/2.1=3, 3.0/11019=1 Peak 2385 from cnoeabs.peaks (1.31, 1.31, 26.38 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG LEU 79 + HG LEU 79 OK 100 100 - 100 HG LEU 87 - HG LEU 87 OK 45 45 - 100 Peak 2386 from cnoeabs.peaks (0.62, 1.31, 26.38 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 79 + HG LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 79 - HG LEU 87 OK 30 52 - 59 - 2393=11, ~8890=9...(26) QD2 LEU 64 - HG LEU 79 OK 20 77 - 26 - 2370/3.0=4, 2378/3.0=4...(9) QD2 LEU 64 - HG LEU 87 OK 14 33 - 42 - 1843/3.0=3, ~1828=3...(25) Peak 2387 from cnoeabs.peaks (0.78, 1.31, 26.38 ppm; 3.96 A): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 79 + HG LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 95 + HG LEU 79 OK 73 99 - 74 - 2402/2.1=10, ~3148=8...(26) QD2 LEU 126 + HG LEU 79 OK 56 89 - 63 - 2.1/2386=8, 2395/2.1=7...(20) QG2 THR 74 + HG LEU 79 OK 55 100 - 56 - 2395/2.1=7, ~8605=7...(18) QG1 VAL 80 - HG LEU 79 OK 38 62 - 61 - 3.2/8744=9, 2395/2.1=6...(23) QD1 LEU 79 - HG LEU 87 OK 37 52 - 71 - ~8890=14, 2.1/2393=10...(25) QD2 LEU 126 - HG LEU 87 poor 8 41 - 20 - ~11144=3, ~10772=2...(9) QD2 LEU 95 - HG LEU 87 lone 3 49 - 7 - QG1 VAL 80 - HG LEU 87 poor 3 26 - 12 - 3.2/8744=3, ~9948=2, 4.0/6859=2 QG2 THR 74 - HG LEU 87 lone 2 51 - 5 - Peak 2389 from cnoeabs.peaks (8.82, 0.62, 26.93 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 79 + QD2 LEU 79 OK 99 100 - 99 - 4.9=93, 2397/2.1=25...(14) Peak 2390 from cnoeabs.peaks (3.12, 0.62, 26.93 ppm; 4.25 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.8=100 HA VAL 80 + QD2 LEU 79 OK 59 81 - 73 - 2.8/6860=25, 8744/2.1=10...(23) HD2 ARG 109 + QD2 LEU 79 OK 49 81 - 61 - 5.2/8728=9, ~9275=8...(22) HB3 ASN 96 - QD2 LEU 79 OK 25 72 - 35 - ~9083=9, ~10121=7...(10) HB3 PHE 106 - QD2 LEU 79 OK 20 100 - 20 - ~9979=4, 2.5/8716=3...(9) HD3 ARG 145 - QD2 LEU 79 OK 14 94 - 15 - 2398/2.1=1, 2366/3.1=1 HD2 ARG 145 - QD2 LEU 79 OK 14 92 - 15 - 2398/2.1=1, 2366/3.1=1 HA ALA 105 - QD2 LEU 79 lone 4 62 - 7 - 8570/8587=2 Peak 2391 from cnoeabs.peaks (1.59, 0.62, 26.93 ppm; 3.86 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.1=100 HG3 LYS 36 - QD2 LEU 79 OK 41 100 - 41 - 1.8/11004=7, 2399/2.1=5...(18) HD3 LYS 61 - QD2 LEU 79 OK 36 100 - 37 - 2391=6, 1.8/2391=4...(14) HD2 LYS 61 - QD2 LEU 79 OK 36 100 - 37 - 2391=6, 1.8/2391=4...(14) HB2 LEU 97 - QD2 LEU 79 OK 16 85 - 19 - 4.8/8727=5, 2391=2...(6) HG LEU 108 - QD2 LEU 79 OK 14 77 - 19 - 2391=2, 3.7/11017=2...(6) HG2 ARG 144 - QD2 LEU 79 lone 7 94 - 7 - 2391=1 HG2 ARG 141 - QD2 LEU 79 lone 7 81 - 8 - 2391=1 HG3 LYS 48 - QD2 LEU 79 lone 6 96 - 6 - Peak 2392 from cnoeabs.peaks (1.55, 0.62, 26.93 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.1=100 HG2 ARG 109 - QD2 LEU 79 OK 42 72 - 59 - 3.9/8728=10, 2392=7...(23) HG3 ARG 55 - QD2 LEU 79 OK 41 99 - 41 - 2384/2.1=5, 2368/3.1=5...(13) HG2 ARG 55 - QD2 LEU 79 OK 39 96 - 41 - 2384/2.1=5, 1.8/2392=5...(13) Peak 2393 from cnoeabs.peaks (1.31, 0.62, 26.93 ppm; 3.46 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 2.1=100 HG LEU 87 + QD2 LEU 79 OK 58 94 - 61 - 2393=10, ~8890=10...(26) HG12 ILE 83 + QD2 LEU 79 OK 52 100 - 53 - 11153/2.1=5, 10773/3.8=5...(21) HG3 LYS 24 - QD2 LEU 79 OK 25 99 - 25 - 2393=5, ~10907=2...(12) HG2 LYS 85 - QD2 LEU 79 poor 10 72 - 13 - ~2585=2, ~2619=2...(4) Peak 2394 from cnoeabs.peaks (0.62, 0.62, 26.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 79 + QD2 LEU 79 OK 100 100 - 100 Peak 2395 from cnoeabs.peaks (0.78, 0.62, 26.93 ppm; 2.95 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 95 + QD2 LEU 79 OK 55 99 - 56 - 2402=11, 2.1/8736=5...(22) QG2 THR 74 - QD2 LEU 79 OK 44 100 - 44 - 2395=7, 2.1/8605=6...(18) QD2 LEU 126 - QD2 LEU 79 OK 43 89 - 48 - 2395=7, 2361/3.8=3...(23) QG1 VAL 80 - QD2 LEU 79 OK 30 62 - 49 - 4.0/6860=9, 2395=7...(23) Peak 2397 from cnoeabs.peaks (8.82, 0.78, 22.56 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 79 + QD1 LEU 79 OK 99 100 - 99 - 4.2=97, 6850/2.1=31...(13) H LEU 79 - QD2 LEU 95 OK 40 86 - 47 - 6851=8, 2.8/2361=6...(12) H LEU 79 - QG2 THR 74 OK 32 67 - 48 - 6851=8, 4.4/8700=8...(12) Peak 2398 from cnoeabs.peaks (3.12, 0.78, 22.56 ppm; 3.17 A): 4 out of 24 assignments used, quality = 0.92: * HA LEU 79 + QD1 LEU 79 OK 73 100 - 73 - 4.0=49, 2.8/2397=10...(10) HA VAL 80 + QD1 LEU 79 OK 42 81 - 52 - ~6860=8, 2.8/6861=8...(19) HD2 ARG 109 + QD1 LEU 79 OK 32 81 - 39 - 1.8/9275=5, 5.2/9271=4...(16) HA LEU 79 + QD2 LEU 95 OK 26 86 - 31 - 2361=7, 3.8/2402=5...(8) HB3 ASN 96 - QD2 LEU 95 OK 19 56 - 34 - 3.9/7128=9, 4.7/11419=6...(10) HA LEU 79 - QG2 THR 74 OK 18 67 - 26 - 2361=6, 2.8/6851=4...(8) HB3 ASN 96 - QD1 LEU 79 OK 18 72 - 24 - 3.0/9083=5, 3.9/7128=5...(9) HB3 PHE 106 - QD1 LEU 79 OK 13 100 - 13 - 2.5/9979=3, 2390/2.1=1...(4) HA VAL 80 - QD2 LEU 95 OK 11 64 - 17 - 2.8/6861=3, 2408=2...(6) HD3 ARG 145 - QD1 LEU 79 lone 9 94 - 9 - HD2 ARG 145 - QD1 LEU 79 lone 8 92 - 9 - HD3 ARG 145 - QD2 LEU 95 lone 6 77 - 8 - 11646/3.9=1 HD2 ARG 145 - QD2 LEU 95 lone 6 74 - 8 - 11646/3.9=1 HD2 ARG 109 - QD2 LEU 95 lone 6 64 - 9 - 5.2/9271=1, 1.8/9275=1 HA VAL 80 - QG2 THR 74 poor 6 48 - 12 - 2.8/6861=2, 4.8/2361=2, 2408=2 HB3 ASN 96 - QG2 THR 74 lone 3 41 - 8 - 3.0/9083=2, 3.9/7128=2...(4) HD2 ARG 109 - QG2 THR 74 lone 3 48 - 6 - 5.2/9271=2, 1.8/9275=1 HB3 PHE 106 - QD2 LEU 95 lone 3 86 - 3 - HA ALA 105 - QD1 LEU 79 lone 2 62 - 4 - HB3 PHE 106 - QG2 THR 74 lone 1 67 - 2 - HD3 ARG 145 - QG2 THR 74 lone 1 59 - 2 - HA ALA 105 - QD2 LEU 95 lone 1 47 - 2 - HD2 ARG 145 - QG2 THR 74 lone 1 56 - 2 - HA ALA 105 - QG2 THR 74 lone 0 35 - 1 - Peak 2399 from cnoeabs.peaks (1.59, 0.78, 22.56 ppm; 3.13 A): 1 out of 27 assignments used, quality = 1.00: * HB2 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 3.1=100 HB2 LEU 79 - QD2 LEU 95 OK 41 86 - 48 - 2371=6, 3.1/2402=6...(23) HG3 LYS 36 - QD1 LEU 79 OK 34 100 - 34 - 3.9/8730=5, 3.9/8730=5...(12) HD3 LYS 61 - QD1 LEU 79 OK 26 100 - 26 - 2391/2.1=3, 2399=3...(14) HD2 LYS 61 - QD1 LEU 79 OK 26 100 - 26 - 2391/2.1=3, 2399=3...(14) HB2 LEU 79 - QG2 THR 74 OK 23 67 - 35 - 2371=5, 3.1/2395=4...(16) HB2 LEU 97 - QD1 LEU 79 OK 11 85 - 13 - 4.0/11419=4, 2391/2.1=1...(4) HG LEU 108 - QD1 LEU 79 poor 8 77 - 11 - 2391/2.1=1, 2.1/2154=1 HB2 LEU 97 - QD2 LEU 95 lone 6 68 - 9 - 4.0/11419=7 HG3 LYS 36 - QD2 LEU 95 lone 5 85 - 6 - HG2 ARG 141 - QD1 LEU 79 lone 5 81 - 6 - HG3 LYS 48 - QD2 LEU 95 lone 5 79 - 6 - HG LEU 108 - QG2 THR 74 poor 5 44 - 11 - ~3502=2, ~3510=2...(5) HG2 ARG 144 - QD1 LEU 79 lone 5 94 - 5 - HG3 LYS 48 - QD1 LEU 79 lone 4 96 - 4 - HB2 LEU 97 - QG2 THR 74 lone 2 51 - 5 - 4.0/11419=2 HG3 LYS 36 - QG2 THR 74 lone 2 66 - 4 - HD3 LYS 61 - QD2 LEU 95 lone 2 85 - 3 - HD2 LYS 61 - QD2 LEU 95 lone 2 85 - 3 - HG2 ARG 141 - QD2 LEU 95 lone 2 64 - 3 - HD3 LYS 61 - QG2 THR 74 lone 2 66 - 2 - HD2 LYS 61 - QG2 THR 74 lone 2 66 - 2 - HG LEU 108 - QD2 LEU 95 lone 1 60 - 2 - HG2 ARG 144 - QD2 LEU 95 lone 1 77 - 1 - HG2 ARG 144 - QG2 THR 74 lone 1 59 - 1 - HG2 ARG 141 - QG2 THR 74 lone 1 48 - 1 - HG3 LYS 48 - QG2 THR 74 lone 1 61 - 1 - Peak 2400 from cnoeabs.peaks (1.55, 0.78, 22.56 ppm; 3.18 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 3.1=100 HB3 LEU 79 - QD2 LEU 95 OK 42 86 - 49 - 3.1/2402=6, 2379=6...(23) HG2 ARG 109 - QD1 LEU 79 OK 34 72 - 47 - 3.9/9271=6, 2392/2.1=5...(18) HG3 ARG 55 - QD1 LEU 79 OK 30 99 - 30 - 2392/2.1=4, 2384/2.1=4...(13) HG2 ARG 55 - QD1 LEU 79 OK 29 96 - 30 - 2392/2.1=4, 2384/2.1=4...(13) HB3 LEU 79 - QG2 THR 74 OK 24 67 - 36 - 2379=4, 3.1/2395=4...(16) HG2 ARG 109 - QD2 LEU 95 poor 6 56 - 10 - 3.9/9271=2, 3.0/9275=1 HG2 ARG 109 - QG2 THR 74 lone 3 41 - 8 - 3.9/9271=3, 4.3/9934=1 HG3 ARG 55 - QD2 LEU 95 lone 2 83 - 2 - HG2 ARG 55 - QD2 LEU 95 lone 2 79 - 2 - HG3 ARG 55 - QG2 THR 74 lone 1 64 - 2 - HG2 ARG 55 - QG2 THR 74 lone 1 61 - 2 - Peak 2401 from cnoeabs.peaks (1.31, 0.78, 22.56 ppm; 3.07 A): 4 out of 15 assignments used, quality = 1.00: * HG LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 2.1=100 HG LEU 87 + QD1 LEU 79 OK 48 94 - 51 - ~8890=7, 2401=6...(24) HG LEU 79 + QD2 LEU 95 OK 47 86 - 55 - 2.1/2402=8, 2401=7...(23) HG12 ILE 83 + QD1 LEU 79 OK 46 100 - 46 - 3.8/9075=6, 2393/2.1=6...(22) HG12 ILE 83 - QD2 LEU 95 OK 39 85 - 46 - 3.8/9075=9, 3.0/3155=3...(24) HG LEU 79 - QG2 THR 74 OK 25 67 - 38 - 2.1/2395=5, ~8605=4...(18) HG3 LYS 24 - QD1 LEU 79 OK 18 99 - 18 - 2393/2.1=3, 2401=3...(8) HG2 LYS 85 - QD1 LEU 79 poor 9 72 - 13 - ~2585=2, ~2619=2...(4) HG2 LYS 85 - QD2 LEU 95 lone 5 56 - 9 - 2606/3.1=1, ~2617=1 HG12 ILE 83 - QG2 THR 74 lone 4 65 - 6 - ~11041=1 HG LEU 87 - QD2 LEU 95 lone 4 77 - 5 - HG3 LYS 24 - QD2 LEU 95 lone 2 83 - 3 - HG LEU 87 - QG2 THR 74 lone 2 59 - 4 - HG3 LYS 24 - QG2 THR 74 lone 1 64 - 2 - HG2 LYS 85 - QG2 THR 74 lone 1 41 - 1 - Peak 2402 from cnoeabs.peaks (0.62, 0.78, 22.56 ppm; 2.67 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 79 - QD2 LEU 95 OK 40 86 - 47 - 2402=8, 8736/2.1=4...(21) QD2 LEU 79 - QG2 THR 74 OK 24 67 - 36 - 2395=6, 8605/2.1=4...(14) QD2 LEU 64 - QD1 LEU 79 OK 16 77 - 21 - 2386/2.1=2, 2370/3.1=2...(6) QD2 LEU 64 - QD2 LEU 95 lone 5 60 - 9 - QD2 LEU 64 - QG2 THR 74 lone 4 44 - 10 - 8605/2.1=1 Peak 2403 from cnoeabs.peaks (0.78, 0.78, 22.56 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 79 + QD1 LEU 79 OK 100 100 - 100 QD2 LEU 95 + QD2 LEU 95 OK 83 83 - 100 QG2 THR 74 + QG2 THR 74 OK 66 66 - 100 Peak 2405 from cnoeabs.peaks (8.49, 3.13, 67.65 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 80 + HA VAL 80 OK 100 100 - 100 - 2.8=100 Peak 2406 from cnoeabs.peaks (3.13, 3.13, 67.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 80 + HA VAL 80 OK 100 100 - 100 Peak 2407 from cnoeabs.peaks (1.82, 3.13, 67.65 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 80 + HA VAL 80 OK 100 100 - 100 - 3.0=100 HB3 MET 68 + HA VAL 80 OK 46 96 - 47 - 2427/3.2=6, 2421/3.2=5...(21) HB2 ARG 141 - HA VAL 80 OK 34 96 - 35 - 2427/3.2=5, 2414=4...(18) HD3 LYS 36 - HA VAL 80 OK 30 99 - 31 - 6873/3.6=7, 6863/2.8=6...(8) HB2 MET 11 - HA VAL 80 OK 17 100 - 16 - 2427/3.2=3, 2421/3.2=2...(7) HB3 LEU 72 - HA VAL 80 OK 13 89 - 14 - 2427/3.2=2, 9939/8505=1...(6) Peak 2408 from cnoeabs.peaks (0.80, 3.13, 67.65 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 80 + HA VAL 80 OK 100 100 - 100 - 3.2=100 QD2 LEU 126 - HA VAL 80 OK 39 96 - 40 - 2420=6, 2428/3.2=6...(19) QD1 LEU 79 - HA VAL 80 OK 31 62 - 50 - ~6860=8, 2.1/2390=7...(21) QG2 THR 74 - HA VAL 80 poor 7 72 - 10 - 6861/2.8=1, 2361/4.8=1...(4) Peak 2409 from cnoeabs.peaks (0.89, 3.13, 67.65 ppm; 3.16 A): 1 out of 7 assignments used, quality = 0.98: * QG2 VAL 80 + HA VAL 80 OK 98 100 - 98 - 3.2=96, 2425/2.8=23...(13) QG2 ILE 136 - HA VAL 80 OK 15 81 - 18 - 2423/3.2=2, 9600/9581=1...(5) QD1 ILE 101 - HA VAL 80 OK 12 92 - 13 - 6865/2.8=2, 2423/3.2=2 QD1 LEU 97 - HA VAL 80 poor 10 72 - 14 - 10110=2, 6865/2.8=1, 2423/3.2=1 QG2 ILE 101 - HA VAL 80 poor 10 81 - 12 - 2423/3.2=1, 6865/2.8=1 QG1 VAL 63 - HA VAL 80 poor 7 72 - 10 - 3.2/10170=2, 6875/3.6=1 QG1 VAL 53 - HA VAL 80 lone 6 77 - 8 - 10631/3.6=2, 6865/2.8=1 Peak 2410 from cnoeabs.peaks (7.33, 3.13, 67.65 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 81 + HA VAL 80 OK 100 100 - 100 - 3.6=100 H ARG 109 - HA VAL 80 OK 25 68 - 37 - 6866/2.8=6, 4.4/10546=5...(13) Peak 2411 from cnoeabs.peaks (7.90, 3.13, 67.65 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.92: * H ILE 83 + HA VAL 80 OK 89 100 - 89 - 6901=22, 4.4/8743=20...(17) HD22 ASN 139 + HA VAL 80 OK 30 99 - 30 - 6882/3.6=8, 9737/3.2=4...(11) Peak 2412 from cnoeabs.peaks (1.75, 3.13, 67.65 ppm; 3.75 A): 4 out of 7 assignments used, quality = 0.89: * HB ILE 83 + HA VAL 80 OK 77 100 - 77 - 2.1/10027=17...(18) HB2 GLU 81 + HA VAL 80 OK 34 68 - 50 - 2441/3.6=10, 8767/2.8=9...(16) HG LEU 95 + HA VAL 80 OK 18 96 - 19 - 2.1/2408=3, ~6861=2...(7) HB2 PRO 12 + HA VAL 80 OK 11 94 - 12 - ~8761=2, 2540/8742=1...(4) HB2 ARG 49 - HA VAL 80 poor 10 77 - 12 - ~9949=3, ~9986=2...(4) HG3 ARG 140 - HA VAL 80 poor 7 72 - 10 - ~11574=2, 11575/3.2=1 HB3 ARG 35 - HA VAL 80 lone 4 62 - 6 - Peak 2413 from cnoeabs.peaks (8.49, 1.82, 30.54 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 80 + HB VAL 80 OK 100 100 - 100 - 3.7=100 H VAL 80 - HB2 ARG 141 OK 21 81 - 26 - 2.8/2407=6, 4.0/2427=5...(6) H VAL 80 - HB3 MET 68 OK 19 65 - 29 - 2.8/2407=7, 4.0/2427=7...(5) Peak 2414 from cnoeabs.peaks (3.13, 1.82, 30.54 ppm; 4.39 A): 1 out of 15 assignments used, quality = 1.00: * HA VAL 80 + HB VAL 80 OK 100 100 - 100 - 3.0=100 HA LEU 79 - HB VAL 80 OK 38 81 - 47 - 2426/2.1=10, 2420/2.1=7...(15) HA VAL 80 - HB3 MET 68 OK 37 65 - 56 - 2407=9, 3.2/2427=7...(26) HA VAL 80 - HB2 ARG 141 OK 35 81 - 43 - 2407=7, 3.2/2427=6...(19) HB2 TYR 70 - HB VAL 80 OK 34 72 - 47 - ~8761=14, ~8761=8...(14) HA LEU 39 - HB VAL 80 OK 26 94 - 27 - 11063/2.1=6, ~9986=5...(9) HB3 PHE 106 - HB VAL 80 OK 20 77 - 26 - ~9955=7, 2426/2.1=5...(10) HA LEU 79 - HB2 ARG 141 poor 8 59 - 13 - 3.6/2413=4, 4.8/2407=3 HB2 TYR 70 - HB3 MET 68 poor 7 40 - 18 - ~1959=4, ~1949=4...(6) HA LEU 79 - HB3 MET 68 poor 6 46 - 13 - 4.8/2407=4, 3.6/6863=4 HA LEU 39 - HB3 MET 68 lone 5 57 - 9 - 10754/4.4=4 HA LEU 39 - HB2 ARG 141 lone 2 72 - 3 - HB3 PHE 106 - HB2 ARG 141 lone 2 56 - 3 - HB3 PHE 106 - HB3 MET 68 lone 1 43 - 2 - HB2 TYR 70 - HB2 ARG 141 lone 1 52 - 2 - Peak 2415 from cnoeabs.peaks (1.82, 1.82, 30.54 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 80 + HB VAL 80 OK 100 100 - 100 HB2 ARG 141 + HB2 ARG 141 OK 75 75 - 100 HB3 MET 68 + HB3 MET 68 OK 59 59 - 100 Peak 2416 from cnoeabs.peaks (0.80, 1.82, 30.54 ppm; 3.17 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 80 + HB VAL 80 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 - HB VAL 80 OK 41 96 - 43 - 2428/2.1=8, 2421=6...(18) QD1 LEU 79 - HB VAL 80 OK 27 62 - 44 - 2428/2.1=6, 2408/3.0=5...(24) QG1 VAL 80 - HB3 MET 68 OK 27 65 - 42 - 2421=7, 8430/1.8=6...(19) QG1 VAL 80 - HB2 ARG 141 OK 25 81 - 30 - 2421=5, 2.1/2427=4...(14) QD1 LEU 79 - HB3 MET 68 poor 6 34 - 19 - 8430/1.8=6, 9930/4.4=3...(5) QG2 THR 74 - HB VAL 80 lone 5 72 - 7 - 2428/2.1=1, 2408/3.0=1 QD2 LEU 126 - HB3 MET 68 lone 5 59 - 8 - 8430/1.8=2, ~10257=2 QG2 THR 74 - HB3 MET 68 lone 3 40 - 7 - 8430/1.8=3, 8443/3.6=2 QD2 LEU 126 - HB2 ARG 141 lone 3 75 - 4 - QD1 LEU 79 - HB2 ARG 141 lone 2 44 - 5 - QG2 THR 74 - HB2 ARG 141 lone 1 52 - 1 - Peak 2417 from cnoeabs.peaks (0.89, 1.82, 30.54 ppm; 3.69 A): 1 out of 21 assignments used, quality = 1.00: * QG2 VAL 80 + HB VAL 80 OK 100 100 - 100 - 2.1=100 QD1 LEU 97 - HB2 ARG 141 OK 38 52 - 73 - 10132/1.8=8, ~10131=6...(37) QG2 VAL 80 - HB2 ARG 141 OK 34 81 - 42 - 2427=7, 2.1/2421=4...(20) QG2 VAL 80 - HB3 MET 68 OK 34 65 - 52 - 2427=9, ~8430=6...(22) QG2 ILE 136 - HB3 MET 68 OK 27 46 - 58 - 8436/3.0=5, ~1965=4...(36) QG2 ILE 136 - HB VAL 80 OK 22 81 - 27 - 2409/3.0=3, 2423/2.1=3...(14) QD1 ILE 101 - HB VAL 80 OK 17 92 - 18 - 2423/2.1=3, 2409/3.0=2...(4) QG2 ILE 101 - HB VAL 80 OK 15 81 - 18 - 2423/2.1=2, 2409/3.0=2 QD1 LEU 97 - HB VAL 80 OK 13 72 - 17 - 10110/3.0=3, 2423/2.1=2...(5) QD1 ILE 101 - HB3 MET 68 poor 9 55 - 17 - 8436/3.0=2, ~8436=2...(5) QG2 ILE 101 - HB3 MET 68 poor 9 46 - 19 - 8436/3.0=3, ~9168=2...(7) QG1 VAL 63 - HB VAL 80 poor 9 72 - 12 - ~10170=2, 2409/3.0=1...(5) QG1 VAL 53 - HB VAL 80 poor 8 77 - 10 - 10631/4.7=2, 6865/3.7=1...(5) QG1 VAL 63 - HB3 MET 68 poor 7 40 - 19 - ~10992=5, 9870/1.8=3...(5) QD1 ILE 101 - HB2 ARG 141 lone 5 69 - 7 - 10130/2.8=1 QG2 ILE 101 - HB2 ARG 141 lone 4 59 - 6 - QG2 ILE 136 - HB2 ARG 141 lone 3 59 - 5 - QD1 LEU 97 - HB3 MET 68 lone 3 40 - 7 - QG1 VAL 63 - HB2 ARG 141 lone 2 52 - 3 - QG1 VAL 53 - HB3 MET 68 lone 1 43 - 2 - QG1 VAL 53 - HB2 ARG 141 lone 1 56 - 1 - Peak 2418 from cnoeabs.peaks (7.33, 1.82, 30.54 ppm; 4.17 A): 1 out of 6 assignments used, quality = 0.95: * H GLU 81 + HB VAL 80 OK 95 100 - 95 - 4.7=72, 2430/2.1=30...(15) H GLU 81 - HB3 MET 68 OK 17 65 - 27 - 6873=6, 3.6/2407=5...(6) H GLU 81 - HB2 ARG 141 OK 17 81 - 20 - 6873=4, 3.6/2407=4...(6) H ARG 109 - HB VAL 80 OK 11 68 - 16 - 2410/3.0=5, 2430/2.1=4...(4) H ARG 109 - HB2 ARG 141 lone 1 48 - 2 - H ARG 109 - HB3 MET 68 lone 1 37 - 3 - Peak 2419 from cnoeabs.peaks (8.49, 0.80, 21.79 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 4.0=98, 2425/2.1=40...(16) H VAL 80 - QD2 LEU 126 OK 29 71 - 40 - 6864=10, 2.8/2408=8...(11) Peak 2420 from cnoeabs.peaks (3.13, 0.80, 21.79 ppm; 3.20 A): 1 out of 10 assignments used, quality = 1.00: * HA VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 3.2=100 HA LEU 79 - QG1 VAL 80 OK 35 81 - 42 - 3.6/2419=13, 2426/2.1=7...(16) HA VAL 80 - QD2 LEU 126 OK 30 71 - 42 - 2408=11, 3.2/2428=6...(19) HB2 TYR 70 - QG1 VAL 80 OK 20 72 - 28 - 3.0/8761=12, 1.8/8757=4...(8) HA LEU 79 - QD2 LEU 126 OK 18 51 - 35 - ~10350=10, 2360/2.1=5...(12) HA LEU 39 - QG1 VAL 80 OK 16 94 - 17 - 2426/2.1=4, ~9986=2...(9) HB3 PHE 106 - QG1 VAL 80 OK 13 77 - 17 - 2426/2.1=3, ~9955=3...(6) HB2 TYR 70 - QD2 LEU 126 lone 2 44 - 5 - 3.0/8761=2 HA LEU 39 - QD2 LEU 126 lone 1 63 - 2 - HB3 PHE 106 - QD2 LEU 126 lone 1 48 - 2 - Peak 2421 from cnoeabs.peaks (1.82, 0.80, 21.79 ppm; 2.79 A): 1 out of 12 assignments used, quality = 1.00: * HB VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 2.1=100 HB3 MET 68 - QG1 VAL 80 OK 31 96 - 33 - 1.8/8430=5, 2427/2.1=4...(12) HB VAL 80 - QD2 LEU 126 OK 25 71 - 35 - 2.1/2428=7, 2416=6...(16) HB2 ARG 141 - QG1 VAL 80 OK 22 96 - 23 - 2427/2.1=3, 2416=3...(7) HD3 LYS 36 - QG1 VAL 80 OK 14 99 - 14 - 6873/4.2=3, 2427/2.1=2...(4) HB2 MET 11 - QG1 VAL 80 OK 12 100 - 12 - 2427/2.1=2, 3.0/9990=1 HB3 LEU 72 - QG1 VAL 80 lone 6 89 - 7 - 2427/2.1=1 HB3 MET 68 - QD2 LEU 126 lone 4 65 - 6 - 1.8/8430=2, ~10257=1 HB2 MET 11 - QD2 LEU 126 lone 4 71 - 5 - HD3 LYS 36 - QD2 LEU 126 lone 2 68 - 3 - HB2 ARG 141 - QD2 LEU 126 lone 2 65 - 3 - HB3 LEU 72 - QD2 LEU 126 lone 1 57 - 2 - Peak 2422 from cnoeabs.peaks (0.80, 0.80, 21.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 80 + QG1 VAL 80 OK 100 100 - 100 QD2 LEU 126 + QD2 LEU 126 OK 65 65 - 100 Peak 2423 from cnoeabs.peaks (0.89, 0.80, 21.79 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * QG2 VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 2.1=100 QG2 VAL 80 - QD2 LEU 126 OK 23 71 - 33 - 2428=9, 2.1/2416=3...(11) QG2 ILE 136 - QG1 VAL 80 OK 10 81 - 13 - 2409/3.2=1 QD1 ILE 101 - QG1 VAL 80 poor 10 92 - 11 - 5.0/8766=1, 2409/3.2=1 QG2 ILE 101 - QG1 VAL 80 poor 9 81 - 11 - 4.0/8766=2 QD1 LEU 97 - QG1 VAL 80 lone 5 72 - 7 - 2409/3.2=1 QG1 VAL 63 - QG1 VAL 80 lone 4 72 - 6 - QG1 VAL 53 - QG1 VAL 80 lone 4 77 - 5 - QG2 ILE 136 - QD2 LEU 126 lone 2 51 - 4 - QG1 VAL 63 - QD2 LEU 126 lone 2 44 - 4 - ~9866=2 QD1 ILE 101 - QD2 LEU 126 lone 1 60 - 2 - QG2 ILE 101 - QD2 LEU 126 lone 1 51 - 2 - QG1 VAL 53 - QD2 LEU 126 lone 0 48 - 1 - QD1 LEU 97 - QD2 LEU 126 lone 0 44 - 1 - Peak 2424 from cnoeabs.peaks (7.33, 0.80, 21.79 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.93: * H GLU 81 + QG1 VAL 80 OK 91 100 - 91 - 4.2=66, 2430/2.1=23...(12) H GLU 81 + QD2 LEU 126 OK 29 71 - 41 - 6874=12, 3.6/2408=6...(10) H ARG 109 - QG1 VAL 80 poor 10 68 - 14 - 2410/3.2=3, 2430/2.1=3...(4) H ARG 109 - QD2 LEU 126 poor 6 41 - 14 - ~9272=5, 5.7/10682=1, 4.3/4308=1 Peak 2425 from cnoeabs.peaks (8.49, 0.89, 24.85 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.88: * H VAL 80 + QG2 VAL 80 OK 88 100 - 88 - 4.0=66, 2419/2.1=22...(10) Peak 2426 from cnoeabs.peaks (3.13, 0.89, 24.85 ppm; 3.07 A): 2 out of 5 assignments used, quality = 0.97: * HA VAL 80 + QG2 VAL 80 OK 95 100 - 95 - 3.2=89, 2.8/2425=22...(11) HA LEU 79 + QG2 VAL 80 OK 37 81 - 46 - 3.6/2425=18, 4.8/2409=7...(17) HA LEU 39 - QG2 VAL 80 OK 22 94 - 23 - 3.0/9986=4, 3.8/11064=4...(11) HB2 TYR 70 - QG2 VAL 80 OK 20 72 - 27 - ~8761=6, ~8761=3...(10) HB3 PHE 106 - QG2 VAL 80 OK 13 77 - 17 - 2.5/9955=3, 4.0/9225=2...(6) Peak 2427 from cnoeabs.peaks (1.82, 0.89, 24.85 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 80 + QG2 VAL 80 OK 100 100 - 100 - 2.1=100 HB3 MET 68 - QG2 VAL 80 OK 39 96 - 41 - 2421/2.1=5, ~8430=5...(18) HB2 ARG 141 - QG2 VAL 80 OK 31 96 - 32 - 2421/2.1=4, 2417=3...(18) HD3 LYS 36 - QG2 VAL 80 OK 20 99 - 20 - 6873/4.4=3, 6863/4.0=3...(5) HB2 MET 11 - QG2 VAL 80 OK 16 100 - 16 - 2421/2.1=2, 1.8/9987=2...(5) HB3 LEU 72 - QG2 VAL 80 OK 11 89 - 12 - 2421/2.1=1, 3.0/8747=1 Peak 2428 from cnoeabs.peaks (0.80, 0.89, 24.85 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 80 + QG2 VAL 80 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 - QG2 VAL 80 OK 33 96 - 34 - 2423=8, 2416/2.1=4...(13) QD1 LEU 79 - QG2 VAL 80 OK 20 62 - 32 - 2408/3.2=3, 4.0/2426=3...(16) QG2 THR 74 - QG2 VAL 80 lone 4 72 - 6 - Peak 2429 from cnoeabs.peaks (0.89, 0.89, 24.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 80 + QG2 VAL 80 OK 100 100 - 100 Peak 2430 from cnoeabs.peaks (7.33, 0.89, 24.85 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 81 + QG2 VAL 80 OK 100 100 - 100 - 4.4=99, 3.5/2425=35...(21) H ARG 109 - QG2 VAL 80 OK 14 68 - 20 - 2410/3.2=5, 6866/4.0=4...(6) Peak 2431 from cnoeabs.peaks (7.33, 4.02, 58.92 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 81 + HA GLU 81 OK 100 100 - 100 - 2.9=100 H GLU 81 - HA GLU 37 OK 24 77 - 32 - 6876=8, 4.0/2442=3...(10) H ARG 109 - HA GLU 81 OK 16 68 - 23 - 6887/3.6=4, 2448/3.0=3...(10) H ARG 109 - HA GLU 37 lone 1 45 - 3 - Peak 2432 from cnoeabs.peaks (4.02, 4.02, 58.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 81 + HA GLU 81 OK 100 100 - 100 HA GLU 37 + HA GLU 37 OK 77 77 - 100 Peak 2433 from cnoeabs.peaks (1.74, 4.02, 58.92 ppm; 3.15 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 81 + HA GLU 81 OK 100 100 - 100 - 3.0=100 HB3 GLU 81 + HA GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HA GLU 81 OK 32 94 - 34 - 2442=5, 2441/2.9=4...(13) HB2 GLU 81 - HA GLU 37 OK 29 77 - 38 - 2442=7, 1.8/2449=5...(14) HD2 LYS 36 - HA GLU 37 OK 27 68 - 39 - ~6223=6, 2442=5, ~726=5...(14) HG LEU 66 - HA GLU 81 OK 21 62 - 34 - ~9910=8, ~11523=6...(14) HB3 GLU 81 - HA GLU 37 OK 18 52 - 35 - 1.8/2442=5, 2449=4...(14) HB ILE 83 - HA GLU 81 OK 18 68 - 26 - 4.7/2438=6, 4.0/6903=3...(9) HB2 ARG 49 - HA GLU 81 OK 18 100 - 18 - ~8777=4, ~1258=2...(7) HB3 ARG 144 - HA GLU 81 OK 12 89 - 14 - 2464/3.7=1, 2457/3.7=1...(4) HG3 ARG 140 - HA GLU 81 lone 6 100 - 6 - HB3 ARG 144 - HA GLU 37 lone 4 62 - 6 - 6222/2.8=2, 653/4.9=1, ~6218=1 HG3 ARG 89 - HA GLU 81 lone 4 68 - 5 - HB2 ARG 49 - HA GLU 37 lone 3 76 - 4 - 653/4.9=1, 6222/2.8=1 HB ILE 83 - HA GLU 37 lone 2 45 - 5 - 4.7/6919=2 HG3 ARG 140 - HA GLU 37 lone 1 77 - 1 - HG LEU 66 - HA GLU 37 lone 1 41 - 2 - HG3 ARG 89 - HA GLU 37 lone 0 45 - 1 - Peak 2434 from cnoeabs.peaks (1.73, 4.02, 58.92 ppm; 3.15 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLU 81 + HA GLU 81 OK 100 100 - 100 - 3.0=100 HB2 GLU 81 + HA GLU 81 OK 77 77 - 100 - 3.0=100 HG LEU 66 - HA GLU 81 OK 37 100 - 37 - ~9910=8, ~11523=6...(16) HD2 LYS 36 - HA GLU 81 OK 34 98 - 35 - 2449=5, 2448/2.9=4...(13) HD2 LYS 36 - HA GLU 37 OK 29 72 - 40 - ~6223=6, 2449=6...(14) HB3 GLU 81 - HA GLU 37 OK 28 77 - 37 - 2449=6, 1.8/2442=5...(14) HB3 ARG 109 - HA GLU 81 OK 22 98 - 22 - 3540/2.9=3, 6890/3.6=2...(12) HB2 GLU 81 - HA GLU 37 OK 18 52 - 35 - 1.8/2449=5, 2442=5...(14) HB3 ARG 144 - HA GLU 81 OK 14 100 - 14 - 2458/3.7=1, 2465/3.7=1...(4) HB2 ARG 49 - HA GLU 81 OK 11 68 - 16 - ~8777=4, ~1258=2...(5) HG3 ARG 89 - HA GLU 81 lone 6 100 - 6 - HB3 ARG 144 - HA GLU 37 lone 5 75 - 6 - 6222/2.8=2, 653/4.9=2, ~6218=1 HG3 ARG 140 - HA GLU 81 lone 4 72 - 5 - HG LEU 66 - HA GLU 37 lone 2 75 - 3 - HB3 ARG 109 - HA GLU 37 lone 2 72 - 3 - HB2 ARG 49 - HA GLU 37 lone 2 45 - 4 - 653/4.9=1, 6222/2.8=1 HG3 ARG 89 - HA GLU 37 lone 1 76 - 1 - HG3 ARG 140 - HA GLU 37 lone 1 49 - 1 - Peak 2435 from cnoeabs.peaks (2.14, 4.02, 58.92 ppm; 3.32 A): 5 out of 10 assignments used, quality = 0.95: * HG2 GLU 81 + HA GLU 81 OK 89 100 - 89 - 3.7=71, 2455/2.9=20...(11) HG2 GLU 81 + HA GLU 37 OK 21 77 - 27 - 2456=7, 1.8/2463=6...(8) HB2 GLN 133 + HA GLU 81 OK 14 100 - 14 - 6879/2.9=2, 2445/3.0=2...(6) HB3 GLN 133 + HA GLU 81 OK 14 99 - 14 - 6879/2.9=2, 2445/3.0=2...(6) HG3 PRO 118 + HA GLU 81 OK 14 100 - 14 - 2445/3.0=3, 2452/3.0=3...(5) HG2 GLN 111 - HA GLU 81 poor 9 81 - 12 - 1.8/2440=3, 6879/2.9=3...(4) HG3 PRO 118 - HA GLU 37 lone 3 75 - 4 - 3977/4.9=2, ~6219=1 HG2 GLN 111 - HA GLU 37 lone 2 56 - 3 - HB2 GLN 133 - HA GLU 37 lone 1 75 - 1 - HB3 GLN 133 - HA GLU 37 lone 1 74 - 1 - Peak 2436 from cnoeabs.peaks (2.29, 4.02, 58.92 ppm; 3.40 A): 3 out of 16 assignments used, quality = 0.94: * HG3 GLU 81 + HA GLU 81 OK 91 100 - 91 - 3.7=76, 2462/2.9=21...(12) HG3 GLU 81 + HA GLU 37 OK 22 77 - 29 - 2463=7, 1.8/2456=6...(8) HG3 GLU 75 + HA GLU 81 OK 13 100 - 13 - 6880/2.9=3, 6892/3.6=2...(5) HG2 GLN 62 - HA GLU 81 lone 10 100 - 10 - 6880/2.9=2, 2446/3.0=1...(5) HG3 GLN 62 - HA GLU 81 lone 10 99 - 10 - 6880/2.9=2, ~6880=1...(5) HG2 GLU 120 - HA GLU 81 poor 8 77 - 11 - 3.0/2439=2, 2446/3.0=1...(6) HG2 GLU 90 - HA GLU 37 poor 5 45 - 11 - 2934/3.0=2, ~2941=1...(5) HG2 GLU 131 - HA GLU 81 lone 3 72 - 4 - 6880/2.9=1 HG2 GLU 120 - HA GLU 37 lone 2 52 - 4 - 3.0/2439=2 HG2 GLU 90 - HA GLU 81 lone 2 68 - 3 - HG3 GLU 75 - HA GLU 37 lone 2 76 - 2 - HG3 GLU 142 - HA GLU 81 lone 1 72 - 2 - HG2 GLN 62 - HA GLU 37 lone 1 77 - 1 - HG3 GLN 62 - HA GLU 37 lone 1 74 - 1 - HG2 GLU 131 - HA GLU 37 lone 1 49 - 1 - HG3 GLU 142 - HA GLU 37 lone 0 49 - 1 - Peak 2437 from cnoeabs.peaks (7.63, 4.02, 58.92 ppm; 3.49 A): 1 out of 10 assignments used, quality = 0.99: * H VAL 82 + HA GLU 81 OK 99 100 - 99 - 3.6=94, 6887/2.9=24...(24) H LEU 66 - HA GLU 81 OK 25 94 - 27 - 6881/2.9=7, 2447/3.0=5...(8) H GLU 122 - HA GLU 81 OK 16 98 - 16 - 6881/2.9=2, 3.1/7529=2...(8) H VAL 82 - HA GLU 37 OK 16 77 - 20 - 6888=4, 3.4/6876=4...(6) H GLU 122 - HA GLU 37 poor 9 72 - 13 - 3.1/7529=2, 7516/3.0=2 H LYS 93 - HA GLU 81 poor 9 85 - 11 - 4.4/10085=3, 2469/4.8=2...(6) H LYS 93 - HA GLU 37 lone 4 59 - 6 - ~9004=3, 4.4/10085=2 HD21 ASN 130 - HA GLU 81 lone 3 85 - 3 - H LEU 66 - HA GLU 37 lone 3 68 - 4 - HD21 ASN 130 - HA GLU 37 lone 1 59 - 1 - Peak 2438 from cnoeabs.peaks (8.89, 4.02, 58.92 ppm; 4.21 A): 4 out of 4 assignments used, quality = 0.90: * H ASN 84 + HA GLU 81 OK 79 100 - 79 - 6919=21, 6898/3.6=19...(16) H LYS 34 + HA GLU 37 OK 25 72 - 35 - 8094/2.8=19, ~10889=5...(6) H ASN 84 + HA GLU 37 OK 22 77 - 28 - 6919=7, 4.0/2440=5...(7) H LYS 34 + HA GLU 81 OK 17 98 - 17 - 9965/4.9=5, 6898/3.6=4...(5) Peak 2439 from cnoeabs.peaks (2.71, 4.02, 58.92 ppm; 3.55 A): 4 out of 12 assignments used, quality = 0.67: * HB2 ASN 84 + HA GLU 81 OK 40 100 - 40 - 1.8/2440=15, 2553=10...(6) HB2 PHE 38 + HA GLU 37 OK 25 49 - 51 - ~6231=10, 758=10...(11) HB2 ASN 84 + HA GLU 37 OK 16 77 - 21 - 1.8/2440=7, 2553=5...(5) HB3 MET 46 + HA GLU 37 OK 11 72 - 15 - ~10682=4, ~8172=4...(6) HB3 GLU 120 - HA GLU 81 lone 8 85 - 9 - 3.0/2436=2, 3.0/2436=2 HB2 PHE 38 - HA GLU 81 lone 5 72 - 7 - 3.2/6238=4 HB3 CYS 121 - HA GLU 81 lone 4 96 - 4 - 4.7/2437=1, 4056/3.6=1 HB3 GLU 120 - HA GLU 37 lone 4 59 - 7 - 6244/3.6=3, 789/4.9=1 HB3 TYR 70 - HA GLU 81 lone 3 72 - 4 - 2072/4.9=1 HB3 TYR 70 - HA GLU 37 lone 3 49 - 6 - 6244/3.6=3, 789/4.9=1 HB3 MET 46 - HA GLU 81 lone 3 98 - 3 - HB3 CYS 121 - HA GLU 37 lone 2 70 - 2 - Peak 2440 from cnoeabs.peaks (2.78, 4.02, 58.92 ppm; 3.44 A): 0 out of 8 assignments used, low quality = 0.44: ! HB3 ASN 84 - HA GLU 81 OK 34 100 - 34 - 1.8/2439=11, 2561=9...(5) HB3 ASN 84 - HA GLU 37 OK 15 77 - 19 - 2561=5, 1.8/2553=5...(6) HG3 GLN 111 - HA GLU 81 lone 9 100 - 8 - ~6879=2, 1.8/2435=2 HB3 TYR 119 - HA GLU 37 poor 9 77 - 11 - ~4753=3, ~10303=2...(4) HB2 ASP 41 - HA GLU 37 poor 6 62 - 10 - 3.8/6289=5, 796/4.9=5 HB3 TYR 119 - HA GLU 81 lone 5 100 - 5 - 2557/2439=1, 6931/2438=1 HB2 ASP 41 - HA GLU 81 lone 4 89 - 4 - 3.8/6289=2 HG3 GLN 111 - HA GLU 37 lone 2 77 - 3 - Peak 2441 from cnoeabs.peaks (7.33, 1.74, 29.11 ppm; 3.40 A): 3 out of 4 assignments used, quality = 0.94: * H GLU 81 + HB2 GLU 81 OK 91 100 - 91 - 4.0=63, 2462/3.0=21...(19) H GLU 81 + HD2 LYS 36 OK 20 67 - 30 - 6873/1.8=8, 6877=5...(11) H ARG 109 + HB2 GLU 81 OK 14 68 - 21 - 2462/3.0=4, 2455/3.0=4...(8) H ARG 109 - HD2 LYS 36 lone 4 38 - 10 - 4.3/710=1 Peak 2442 from cnoeabs.peaks (4.02, 1.74, 29.11 ppm; 3.57 A): 1 out of 14 assignments used, quality = 1.00: * HA GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 3.0=100 HA GLU 37 - HB2 GLU 81 OK 43 100 - 43 - 2456/3.0=5, 2463/3.0=5...(14) HA GLU 37 - HD2 LYS 36 OK 32 67 - 48 - ~6223=8, ~726=7...(14) HA GLU 81 - HD2 LYS 36 OK 28 67 - 42 - 2433=5, 2.9/2441=5...(20) HA LYS 123 - HB2 GLU 81 OK 15 100 - 15 - 2463/3.0=2, 2456/3.0=2...(5) HA VAL 63 - HB2 GLU 81 OK 13 99 - 13 - 6876/4.0=2, 2456/3.0=2...(4) HB THR 107 - HB2 GLU 81 lone 8 98 - 8 - 6876/4.0=1, 2463/3.0=1 HA VAL 63 - HD2 LYS 36 lone 3 64 - 4 - ~10934=2 HB3 SER 100 - HB2 GLU 81 lone 2 85 - 2 - HB2 SER 103 - HB2 GLU 81 lone 2 85 - 2 - HB THR 107 - HD2 LYS 36 lone 2 63 - 3 - HA LYS 123 - HD2 LYS 36 lone 1 66 - 2 - HB3 SER 100 - HD2 LYS 36 lone 0 51 - 1 - HB2 SER 103 - HD2 LYS 36 lone 0 51 - 1 - Peak 2443 from cnoeabs.peaks (1.74, 1.74, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 81 + HB2 GLU 81 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 59 59 - 100 Peak 2444 from cnoeabs.peaks (1.73, 1.74, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 0.91: HB2 GLU 81 + HB2 GLU 81 OK 77 77 - 100 HD2 LYS 36 + HD2 LYS 36 OK 63 63 - 100 Reference assignment not found: HB3 GLU 81 - HB2 GLU 81 Peak 2445 from cnoeabs.peaks (2.14, 1.74, 29.11 ppm; 3.22 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 3.0=100 HG2 GLU 81 - HD2 LYS 36 OK 23 67 - 34 - 2457=6, 1.8/2446=5...(11) HG3 PRO 118 - HD2 LYS 36 OK 21 66 - 32 - 3975/3.6=3, ~719=3...(16) HG3 PRO 118 - HB2 GLU 81 OK 20 100 - 20 - 2466/3.0=3, 2435/3.0=2...(6) HB2 GLN 133 - HB2 GLU 81 OK 13 100 - 13 - 2435/3.0=2, 2466/3.0=2...(5) HB3 GLN 133 - HB2 GLU 81 OK 13 99 - 13 - 2435/3.0=2, 2466/3.0=2...(5) HG2 GLN 111 - HB2 GLU 81 lone 8 81 - 10 - 6879/4.0=2, 2435/3.0=1, ~2440=1 HB2 GLN 133 - HD2 LYS 36 lone 1 66 - 1 - HB3 GLN 133 - HD2 LYS 36 lone 1 64 - 1 - HG2 GLN 111 - HD2 LYS 36 lone 0 48 - 1 - Peak 2446 from cnoeabs.peaks (2.29, 1.74, 29.11 ppm; 3.50 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 3.0=100 HG3 GLU 81 - HD2 LYS 36 OK 26 67 - 38 - 2464=6, 1.8/2445=5...(18) HG3 GLU 75 - HB2 GLU 81 OK 17 100 - 17 - 2460/3.0=3, 2436/3.0=2...(6) HG2 GLU 120 - HB2 GLU 81 OK 10 77 - 13 - ~2460=1, ~2436=1...(5) HG2 GLN 62 - HB2 GLU 81 lone 9 100 - 9 - 6880/4.0=2, 2436/3.0=2...(4) HG3 GLN 62 - HB2 GLU 81 lone 9 99 - 9 - 6880/4.0=2, 2436/3.0=2 HG2 GLU 131 - HB2 GLU 81 lone 3 72 - 4 - HG2 GLU 90 - HB2 GLU 81 lone 2 68 - 3 - HG3 GLU 142 - HB2 GLU 81 lone 2 72 - 3 - HG3 GLU 142 - HD2 LYS 36 lone 2 41 - 4 - HG3 GLU 75 - HD2 LYS 36 lone 1 67 - 2 - HG2 GLU 131 - HD2 LYS 36 lone 1 41 - 3 - HG2 GLN 62 - HD2 LYS 36 lone 1 67 - 1 - HG3 GLN 62 - HD2 LYS 36 lone 1 64 - 1 - HG2 GLU 120 - HD2 LYS 36 lone 0 45 - 1 - HG2 GLU 90 - HD2 LYS 36 lone 0 38 - 1 - Peak 2447 from cnoeabs.peaks (7.63, 1.74, 29.11 ppm; 3.88 A): 1 out of 10 assignments used, quality = 0.96: * H VAL 82 + HB2 GLU 81 OK 96 100 - 96 - 4.6=59, 6887/4.0=21...(25) H LEU 66 - HB2 GLU 81 OK 34 94 - 36 - 6640/1.8=7, 6881/4.0=6...(10) H VAL 82 - HD2 LYS 36 OK 17 67 - 25 - 3.4/2441=5, 3.2/8783=4...(6) H GLU 122 - HB2 GLU 81 OK 14 98 - 15 - 2461/3.0=3, 2437/3.0=3...(6) H LYS 93 - HB2 GLU 81 lone 8 85 - 10 - 4.4/10082=3, 2437/3.0=2...(4) H LEU 66 - HD2 LYS 36 poor 8 59 - 14 - 4.5/8785=2, 6640=2...(6) H LYS 93 - HD2 LYS 36 poor 5 51 - 10 - 4.4/10082=2, 7091/2.9=2...(4) HD21 ASN 130 - HB2 GLU 81 lone 3 85 - 3 - H GLU 122 - HD2 LYS 36 lone 2 63 - 3 - HD21 ASN 130 - HD2 LYS 36 lone 0 51 - 1 - Peak 2448 from cnoeabs.peaks (7.33, 1.73, 29.11 ppm; 3.33 A): 3 out of 4 assignments used, quality = 0.93: * H GLU 81 + HB3 GLU 81 OK 89 100 - 89 - 4.0=59, 2462/3.0=20...(18) H GLU 81 + HD2 LYS 36 OK 20 79 - 26 - 6873/1.8=8, 6878=5...(8) H ARG 109 + HB3 GLU 81 OK 15 68 - 23 - 2462/3.0=4, 2455/3.0=3...(8) H ARG 109 - HD2 LYS 36 poor 7 46 - 16 - 4.0/3533=3, 4.3/3561=2...(6) Peak 2449 from cnoeabs.peaks (4.02, 1.73, 29.11 ppm; 3.53 A): 1 out of 14 assignments used, quality = 1.00: * HA GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 3.0=100 HA GLU 37 - HB3 GLU 81 OK 39 100 - 40 - 2456/3.0=5, 2463/3.0=5...(14) HA GLU 37 - HD2 LYS 36 OK 36 78 - 46 - ~6223=8, ~726=6...(14) HA GLU 81 - HD2 LYS 36 OK 33 79 - 42 - 2.9/2448=5, 2434=5...(19) HA LYS 123 - HB3 GLU 81 OK 14 100 - 14 - 2463/3.0=2, 2456/3.0=2...(5) HA VAL 63 - HB3 GLU 81 OK 12 99 - 12 - 6876/4.0=2, 2456/3.0=2...(4) HB THR 107 - HB3 GLU 81 lone 7 98 - 7 - 6876/4.0=1, 2463/3.0=1 HA VAL 63 - HD2 LYS 36 lone 3 76 - 4 - ~10934=1 HB3 SER 100 - HB3 GLU 81 lone 2 85 - 2 - HB2 SER 103 - HB3 GLU 81 lone 2 85 - 2 - HB THR 107 - HD2 LYS 36 lone 2 74 - 3 - HA LYS 123 - HD2 LYS 36 lone 1 77 - 2 - HB3 SER 100 - HD2 LYS 36 lone 0 61 - 1 - HB2 SER 103 - HD2 LYS 36 lone 0 61 - 1 - Peak 2450 from cnoeabs.peaks (1.74, 1.73, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: HB3 GLU 81 + HB3 GLU 81 OK 77 77 - 100 HD2 LYS 36 + HD2 LYS 36 OK 70 70 - 100 Reference assignment not found: HB2 GLU 81 - HB3 GLU 81 Peak 2451 from cnoeabs.peaks (1.73, 1.73, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 81 + HB3 GLU 81 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 74 74 - 100 Peak 2452 from cnoeabs.peaks (2.14, 1.73, 29.11 ppm; 3.12 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 3.0=100 HG2 GLU 81 - HD2 LYS 36 OK 25 79 - 32 - 2458=5, 1.8/2453=5...(11) HG3 PRO 118 - HD2 LYS 36 OK 23 77 - 30 - 3975/3.6=3, ~719=3...(16) HG3 PRO 118 - HB3 GLU 81 OK 18 100 - 18 - 2466/3.0=3, 2435/3.0=2...(4) HB2 GLN 133 - HB3 GLU 81 OK 12 100 - 11 - 2435/3.0=2, 2466/3.0=2...(4) HB3 GLN 133 - HB3 GLU 81 OK 11 99 - 11 - 2435/3.0=2, 2466/3.0=2...(5) HG2 GLN 111 - HB3 GLU 81 lone 7 81 - 9 - 6879/4.0=2, 2435/3.0=1, ~2440=1 HB2 GLN 133 - HD2 LYS 36 lone 1 77 - 1 - HB3 GLN 133 - HD2 LYS 36 lone 1 76 - 1 - HG2 GLN 111 - HD2 LYS 36 lone 1 57 - 1 - Peak 2453 from cnoeabs.peaks (2.29, 1.73, 29.11 ppm; 3.45 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 3.0=100 HG3 GLU 81 - HD2 LYS 36 OK 29 79 - 37 - 2465=5, 1.8/2452=5...(15) HG3 GLU 75 - HB3 GLU 81 OK 16 100 - 16 - 2460/3.0=3, 2436/3.0=2...(6) HG2 GLU 120 - HB3 GLU 81 poor 10 77 - 12 - ~2460=1, ~2436=1...(5) HG2 GLN 62 - HB3 GLU 81 lone 9 100 - 9 - 6880/4.0=2, 2436/3.0=2...(4) HG3 GLN 62 - HB3 GLU 81 lone 8 99 - 8 - 6880/4.0=2, 2436/3.0=1 HG2 GLU 131 - HB3 GLU 81 lone 2 72 - 3 - HG2 GLU 90 - HB3 GLU 81 lone 2 68 - 3 - HG3 GLU 142 - HD2 LYS 36 lone 2 50 - 4 - HG3 GLU 75 - HD2 LYS 36 lone 2 78 - 2 - HG3 GLU 142 - HB3 GLU 81 lone 1 72 - 2 - HG2 GLU 131 - HD2 LYS 36 lone 1 50 - 3 - HG2 GLN 62 - HD2 LYS 36 lone 1 78 - 1 - HG3 GLN 62 - HD2 LYS 36 lone 1 76 - 1 - HG2 GLU 120 - HD2 LYS 36 lone 0 53 - 1 - HG2 GLU 90 - HD2 LYS 36 lone 0 46 - 1 - Peak 2454 from cnoeabs.peaks (7.63, 1.73, 29.11 ppm; 3.79 A): 1 out of 10 assignments used, quality = 0.95: * H VAL 82 + HB3 GLU 81 OK 95 100 - 95 - 4.6=55, 6887/4.0=21...(28) H LEU 66 - HB3 GLU 81 OK 38 94 - 40 - 6640=8, 6881/4.0=6...(13) H VAL 82 - HD2 LYS 36 OK 19 79 - 25 - 3.4/2448=5, ~6873=4...(7) H GLU 122 - HB3 GLU 81 OK 13 98 - 13 - 2461/3.0=3, 2437/3.0=3...(6) H LEU 66 - HD2 LYS 36 OK 13 70 - 19 - 6640=3, 2.8/1875=2...(8) H LYS 93 - HB3 GLU 81 poor 10 85 - 11 - 4.4/10096=3, 4.7/9022=2...(5) H LYS 93 - HD2 LYS 36 poor 6 61 - 10 - 4.4/10082=2, 7091/2.9=2, ~3015=1 HD21 ASN 130 - HB3 GLU 81 lone 3 85 - 3 - H GLU 122 - HD2 LYS 36 lone 2 74 - 3 - HD21 ASN 130 - HD2 LYS 36 lone 0 61 - 1 - Peak 2455 from cnoeabs.peaks (7.33, 2.14, 35.27 ppm; 3.72 A): 2 out of 2 assignments used, quality = 0.92: * H GLU 81 + HG2 GLU 81 OK 91 100 - 91 - 4.9=44, 2462/1.8=32...(17) H ARG 109 + HG2 GLU 81 OK 16 68 - 23 - 2462/1.8=6, 2448/3.0=4...(9) Peak 2456 from cnoeabs.peaks (4.02, 2.14, 35.27 ppm; 3.74 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 3.7=100 HA GLU 37 - HG2 GLU 81 OK 32 100 - 33 - 2463/1.8=7, 2435=7...(8) HA LYS 123 - HG2 GLU 81 OK 12 100 - 12 - 2463/1.8=3, 2442/3.0=2...(5) HA VAL 63 - HG2 GLU 81 lone 10 99 - 10 - 2463/1.8=2, 6876/4.9=2...(4) HB THR 107 - HG2 GLU 81 lone 6 98 - 6 - 2463/1.8=2, 6876/4.9=1 HB3 SER 100 - HG2 GLU 81 lone 2 85 - 2 - HB2 SER 103 - HG2 GLU 81 lone 2 85 - 2 - Peak 2457 from cnoeabs.peaks (1.74, 2.14, 35.27 ppm; 2.98 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 3.0=100 HB3 GLU 81 + HG2 GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HG2 GLU 81 OK 27 94 - 29 - 2445=5, 2446/1.8=4...(8) HB2 ARG 49 - HG2 GLU 81 OK 18 100 - 18 - 3.7/10983=4, 1.8/8780=3...(5) HB3 ARG 144 - HG2 GLU 81 OK 17 89 - 19 - 3.0/8768=3, 2464/1.8=2...(6) HB ILE 83 - HG2 GLU 81 poor 9 68 - 13 - 3.0/8780=2, 11567/8782=1...(4) HG LEU 66 - HG2 GLU 81 poor 8 62 - 13 - ~8785=2, 4.8/2461=2...(6) HG3 ARG 140 - HG2 GLU 81 lone 5 100 - 5 - HG3 ARG 89 - HG2 GLU 81 lone 3 68 - 4 - Peak 2458 from cnoeabs.peaks (1.73, 2.14, 35.27 ppm; 2.98 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 3.0=100 HB2 GLU 81 + HG2 GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HG2 GLU 81 OK 29 98 - 30 - 2452=6, 2453/1.8=5...(8) HB3 ARG 144 - HG2 GLU 81 OK 19 100 - 19 - 3.0/8768=3, 2465/1.8=2...(6) HB3 ARG 109 - HG2 GLU 81 OK 16 98 - 16 - 4.0/2455=2, ~8786=2...(6) HG LEU 66 - HG2 GLU 81 OK 16 100 - 16 - ~8785=2, 4.8/2461=2...(7) HB2 ARG 49 - HG2 GLU 81 OK 11 68 - 17 - 3.7/10983=4, 1.8/8780=3...(5) HG3 ARG 89 - HG2 GLU 81 lone 5 100 - 5 - HG3 ARG 140 - HG2 GLU 81 lone 3 72 - 4 - Peak 2459 from cnoeabs.peaks (2.14, 2.14, 35.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 81 + HG2 GLU 81 OK 100 100 - 100 Peak 2460 from cnoeabs.peaks (2.29, 2.14, 35.27 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 1.8=100 HG3 GLU 75 - HG2 GLU 81 lone 10 100 - 10 - 2446/3.0=1, 2453/3.0=1 HG2 GLN 62 - HG2 GLU 81 lone 5 100 - 5 - HG3 GLN 62 - HG2 GLU 81 lone 4 99 - 4 - HG2 GLU 120 - HG2 GLU 81 lone 4 77 - 5 - HG2 GLU 90 - HG2 GLU 81 lone 1 68 - 2 - 8899/8781=1 HG2 GLU 131 - HG2 GLU 81 lone 1 72 - 2 - HG3 GLU 142 - HG2 GLU 81 lone 1 72 - 1 - Peak 2461 from cnoeabs.peaks (7.63, 2.14, 35.27 ppm; 4.36 A): 1 out of 5 assignments used, quality = 0.95: * H VAL 82 + HG2 GLU 81 OK 95 100 - 95 - 3.4/2455=29, 6891=23...(21) H LEU 66 - HG2 GLU 81 OK 34 94 - 36 - 2447/3.0=7, 2454/3.0=7...(8) H GLU 122 - HG2 GLU 81 OK 19 98 - 19 - 2437/3.7=3, 2447/3.0=3...(8) H LYS 93 - HG2 GLU 81 OK 10 85 - 12 - 2454/3.0=2, 2437/3.7=2...(6) HD21 ASN 130 - HG2 GLU 81 lone 3 85 - 4 - Peak 2462 from cnoeabs.peaks (7.33, 2.29, 35.27 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.92: * H GLU 81 + HG3 GLU 81 OK 91 100 - 91 - 4.9=42, 2455/1.8=30...(17) H ARG 109 + HG3 GLU 81 OK 17 68 - 25 - 2455/1.8=5, 2448/3.0=4...(9) Peak 2463 from cnoeabs.peaks (4.02, 2.29, 35.27 ppm; 3.78 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 3.7=100 HA GLU 37 - HG3 GLU 81 OK 33 100 - 33 - 2456/1.8=7, 2436=7...(9) HA LYS 123 - HG3 GLU 81 OK 13 100 - 13 - 2456/1.8=3, 2442/3.0=2...(7) HA VAL 63 - HG3 GLU 81 lone 10 99 - 10 - 2456/1.8=2, 6876/4.9=2...(4) HB THR 107 - HG3 GLU 81 lone 7 98 - 7 - 2456/1.8=2, 6876/4.9=1 HB3 SER 100 - HG3 GLU 81 lone 2 85 - 3 - HB2 SER 103 - HG3 GLU 81 lone 2 85 - 2 - Peak 2464 from cnoeabs.peaks (1.74, 2.29, 35.27 ppm; 3.00 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 3.0=100 HB3 GLU 81 + HG3 GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HG3 GLU 81 OK 27 94 - 29 - 2446=5, 2445/1.8=4...(9) HB3 ARG 144 - HG3 GLU 81 OK 16 89 - 18 - 3.0/8773=3, 2457/1.8=2...(6) HB2 ARG 49 - HG3 GLU 81 OK 14 100 - 14 - 2457/1.8=2, ~8780=2...(4) HB ILE 83 - HG3 GLU 81 poor 8 68 - 12 - ~8780=2, 11567/8790=1...(5) HG LEU 66 - HG3 GLU 81 poor 7 62 - 12 - ~8785=2, 6878/4.9=1...(5) HG3 ARG 140 - HG3 GLU 81 lone 5 100 - 4 - HG3 ARG 89 - HG3 GLU 81 lone 3 68 - 4 - Peak 2465 from cnoeabs.peaks (1.73, 2.29, 35.27 ppm; 3.00 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 3.0=100 HB2 GLU 81 + HG3 GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HG3 GLU 81 OK 29 98 - 30 - 2453=6, 2452/1.8=4...(9) HB3 ARG 144 - HG3 GLU 81 OK 18 100 - 19 - 3.0/8773=3, 2458/1.8=2...(6) HB3 ARG 109 - HG3 GLU 81 OK 15 98 - 16 - 2.8/8786=3, 4.0/2462=2...(6) HG LEU 66 - HG3 GLU 81 OK 14 100 - 14 - 2458/1.8=2, ~8785=2...(6) HB2 ARG 49 - HG3 GLU 81 poor 9 68 - 13 - ~8780=2, 2457/1.8=2...(4) HG3 ARG 89 - HG3 GLU 81 lone 5 100 - 5 - HG3 ARG 140 - HG3 GLU 81 lone 3 72 - 4 - Peak 2466 from cnoeabs.peaks (2.14, 2.29, 35.27 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 1.8=100 HG3 PRO 118 - HG3 GLU 81 OK 11 100 - 11 - 2445/3.0=1, 2452/3.0=1 HB2 GLN 133 - HG3 GLU 81 lone 7 100 - 7 - HB3 GLN 133 - HG3 GLU 81 lone 7 99 - 7 - HG2 GLN 111 - HG3 GLU 81 lone 4 81 - 4 - Peak 2467 from cnoeabs.peaks (2.29, 2.29, 35.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 81 + HG3 GLU 81 OK 100 100 - 100 Peak 2469 from cnoeabs.peaks (7.63, 2.98, 66.39 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 82 + HA VAL 82 OK 100 100 - 100 - 2.9=100 H LEU 66 + HA VAL 82 OK 46 94 - 49 - 2491/3.2=11, 2485/2.4=9...(13) H LYS 93 - HA VAL 82 OK 24 85 - 28 - 2485/2.4=5, 2491/3.2=4...(10) H GLU 122 - HA VAL 82 OK 23 98 - 24 - 2485/2.4=4, 2491/3.2=3...(10) HD21 ASN 130 - HA VAL 82 lone 6 85 - 7 - Peak 2470 from cnoeabs.peaks (2.98, 2.98, 66.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 82 + HA VAL 82 OK 100 100 - 100 Peak 2471 from cnoeabs.peaks (1.37, 2.98, 66.39 ppm; 4.02 A): 3 out of 6 assignments used, quality = 1.00: * HB VAL 82 + HA VAL 82 OK 100 100 - 100 - 3.0=100 HG LEU 132 + HA VAL 82 OK 56 96 - 59 - 3.0/8816=21, 2487/2.4=7...(18) HB2 ARG 109 + HA VAL 82 OK 46 89 - 51 - 1.8/2476=7, 2487/2.4=7...(19) HB3 LEU 39 - HA VAL 82 OK 43 98 - 44 - 2487/2.4=5, 6906/3.6=5...(18) HB2 LEU 69 - HA VAL 82 OK 24 77 - 32 - 2493/3.2=3, 2487/2.4=3...(13) HG2 ARG 49 - HA VAL 82 OK 15 62 - 23 - 2493/3.2=3, 2487/2.4=2...(8) Peak 2472 from cnoeabs.peaks (-1.12, 2.98, 66.39 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + HA VAL 82 OK 100 100 - 100 - 2.4=100 Peak 2473 from cnoeabs.peaks (0.42, 2.98, 66.39 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 82 + HA VAL 82 OK 100 100 - 100 - 3.2=100 Peak 2474 from cnoeabs.peaks (7.90, 2.98, 66.39 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 83 + HA VAL 82 OK 100 100 - 100 - 3.6=100 HD22 ASN 139 + HA VAL 82 OK 59 99 - 59 - 2497/4.9=17, 2490/2.4=15...(9) Peak 2475 from cnoeabs.peaks (8.56, 2.98, 66.39 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.96: * H LYS 85 + HA VAL 82 OK 91 100 - 91 - 10037/2.4=30, 6949=29...(18) H LEU 72 + HA VAL 82 OK 55 94 - 58 - ~10001=16, 9982/2.4=11...(17) H ASP 40 - HA VAL 82 OK 21 77 - 27 - 4.3/2471=4, 9980/3.2=4...(9) Peak 2476 from cnoeabs.peaks (1.70, 2.98, 66.39 ppm; 4.09 A): 5 out of 5 assignments used, quality = 0.89: * HB2 LYS 85 + HA VAL 82 OK 63 100 - 63 - 2580=21, 1.8/2592=18...(13) HD2 LYS 86 + HA VAL 82 OK 34 100 - 35 - 11562/3.6=7...(15) HG LEU 26 + HA VAL 82 OK 30 81 - 37 - ~8799=19, ~8799=17, ~8800=3 HB3 LEU 95 + HA VAL 82 OK 23 100 - 23 - 10094/4.9=5, ~9941=4...(7) HB ILE 58 + HA VAL 82 OK 15 100 - 15 - 8282/4.8=2, 10065/8815=2...(8) Peak 2477 from cnoeabs.peaks (1.86, 2.98, 66.39 ppm; 4.76 A): 2 out of 8 assignments used, quality = 0.97: HB3 LYS 76 + HA VAL 82 OK 89 99 - 90 - 8657/3.2=33, ~8655=23...(19) * HB3 LYS 85 + HA VAL 82 OK 70 100 - 71 - 2592=28, 1.8/2580=26...(10) HG LEU 69 - HA VAL 82 OK 35 100 - 35 - ~8800=5, 3.0/2471=3...(17) HB2 LYS 36 - HA VAL 82 OK 23 81 - 29 - 8801/3.2=5, 3.0/2471=3...(12) HB2 LYS 48 - HA VAL 82 OK 23 94 - 24 - ~8801=4, ~8825=4...(8) HB3 LYS 48 - HA VAL 82 OK 17 72 - 23 - ~8825=4, ~8801=4...(7) HB2 ARG 144 - HA VAL 82 OK 11 85 - 12 - 8801/3.2=4, ~11010=2...(4) HB3 GLU 28 - HA VAL 82 OK 11 98 - 11 - 9776/4.8=7 Peak 2478 from cnoeabs.peaks (3.12, 1.37, 30.17 ppm; 4.31 A): 4 out of 8 assignments used, quality = 0.93: * HA LEU 79 + HB VAL 82 OK 75 100 - 75 - 8794/2.1=32, 2478=21...(9) HA VAL 80 + HB VAL 82 OK 45 81 - 55 - 8743/2.1=18, 2411/4.5=12...(8) HD2 ARG 109 + HB VAL 82 OK 36 81 - 45 - 9986/2.1=7, 1.8/3578=6...(16) HB3 PHE 106 + HB VAL 82 OK 21 100 - 21 - ~8825=5, 3.0/3428=4...(7) HD3 ARG 145 - HB VAL 82 OK 18 94 - 19 - 9986/2.1=3, ~9986=3...(7) HD2 ARG 145 - HB VAL 82 OK 17 92 - 18 - ~9986=3, 9986/2.1=3...(7) HA ALA 105 - HB VAL 82 poor 7 62 - 12 - 9986/2.1=3, 8570/8795=2, ~9229=2 HB3 ASN 96 - HB VAL 82 lone 4 72 - 5 - 9986/2.1=1 Peak 2479 from cnoeabs.peaks (7.63, 1.37, 30.17 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.98: * H VAL 82 + HB VAL 82 OK 98 100 - 98 - 4.0=77, 6896/2.1=43...(17) H LEU 66 - HB VAL 82 OK 34 94 - 36 - 2491/2.1=12, 2485/2.1=8...(6) H GLU 122 - HB VAL 82 OK 14 98 - 14 - 2485/2.1=4, 2491/2.1=3...(4) H LYS 93 - HB VAL 82 OK 14 85 - 16 - 2485/2.1=5, 2491/2.1=4...(4) HD21 ASN 130 - HB VAL 82 lone 3 85 - 4 - Peak 2480 from cnoeabs.peaks (2.98, 1.37, 30.17 ppm; 4.62 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 82 + HB VAL 82 OK 100 100 - 100 - 3.0=100 HB3 ASN 128 + HB VAL 82 OK 50 100 - 50 - 2480=12, 2486/2.1=10...(11) HA VAL 71 - HB VAL 82 OK 39 85 - 46 - 2480=9, 2486/2.1=9...(15) HB3 TYR 27 - HB VAL 82 OK 20 72 - 28 - ~10000=5, ~9975=5...(11) HB2 ASP 30 - HB VAL 82 OK 10 99 - 10 - 2492/2.1=2, 2486/2.1=2...(4) HB3 HIS 14 - HB VAL 82 lone 4 92 - 4 - Peak 2481 from cnoeabs.peaks (1.37, 1.37, 30.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 82 + HB VAL 82 OK 100 100 - 100 Peak 2482 from cnoeabs.peaks (-1.12, 1.37, 30.17 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + HB VAL 82 OK 100 100 - 100 - 2.1=100 Peak 2483 from cnoeabs.peaks (0.42, 1.37, 30.17 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 82 + HB VAL 82 OK 100 100 - 100 - 2.1=100 Peak 2484 from cnoeabs.peaks (7.90, 1.37, 30.17 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 83 + HB VAL 82 OK 100 100 - 100 - 4.5=100 HD22 ASN 139 - HB VAL 82 OK 37 99 - 37 - 2490/2.1=12, 2496/2.1=12...(6) Peak 2485 from cnoeabs.peaks (7.63, -1.12, 18.38 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.97: * H VAL 82 + QG1 VAL 82 OK 97 100 - 97 - 4.0=74, 6896/2.1=43...(20) H LEU 66 - QG1 VAL 82 OK 35 94 - 37 - 2491/2.1=12, 2479/2.1=7...(12) H LYS 93 - QG1 VAL 82 OK 25 85 - 29 - 3.6/8824=5, 7061/11024=5...(10) H GLU 122 - QG1 VAL 82 OK 19 98 - 19 - 2491/2.1=3, 2469/2.4=3...(7) HD21 ASN 130 - QG1 VAL 82 lone 4 85 - 4 - Peak 2486 from cnoeabs.peaks (2.98, -1.12, 18.38 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 2.4=100 HB3 ASN 128 - QG1 VAL 82 OK 29 100 - 29 - 2492/2.1=6, 2480/2.1=5...(11) HA VAL 71 - QG1 VAL 82 OK 27 85 - 32 - 2492/2.1=6, 3.6/9982=5...(15) HB3 TYR 27 - QG1 VAL 82 OK 12 72 - 17 - 2.6/9975=4, ~10000=3...(5) HB2 ASP 30 - QG1 VAL 82 lone 9 99 - 9 - 2492/2.1=2, 8901/10059=1 HB3 HIS 14 - QG1 VAL 82 lone 3 92 - 3 - 8887/8877=1 Peak 2487 from cnoeabs.peaks (1.37, -1.12, 18.38 ppm; 3.05 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 2.1=100 HG LEU 132 - QG1 VAL 82 OK 40 96 - 42 - ~8816=6, 2493/2.1=6...(20) HB2 ARG 109 - QG1 VAL 82 OK 36 89 - 41 - 2493/2.1=4, 2.8/8807=4...(18) HB3 LEU 39 - QG1 VAL 82 OK 28 98 - 29 - 2493/2.1=4, 2471/2.4=3...(12) HB2 LEU 69 - QG1 VAL 82 OK 17 77 - 23 - 2493/2.1=3, ~8800=2...(5) HG2 ARG 49 - QG1 VAL 82 OK 10 62 - 16 - 2493/2.1=2, ~11010=1...(4) Peak 2488 from cnoeabs.peaks (-1.12, -1.12, 18.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + QG1 VAL 82 OK 100 100 - 100 Peak 2489 from cnoeabs.peaks (0.42, -1.12, 18.38 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 2.1=100 Peak 2490 from cnoeabs.peaks (7.90, -1.12, 18.38 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 83 + QG1 VAL 82 OK 100 100 - 100 - 4.4=86, 6908/2.1=36...(25) HD22 ASN 139 - QG1 VAL 82 OK 43 99 - 44 - 2496/2.1=11, 2484/2.1=9...(13) Peak 2491 from cnoeabs.peaks (7.63, 0.42, 24.59 ppm; 3.03 A): 1 out of 5 assignments used, quality = 0.98: * H VAL 82 + QG2 VAL 82 OK 98 100 - 98 - 3.2=86, 6895/2.1=28...(29) H LEU 66 - QG2 VAL 82 OK 38 94 - 40 - 2491=10, 11443/8799=5...(11) H LYS 93 - QG2 VAL 82 OK 19 85 - 22 - 2485/2.1=3, 3.6/8819=3...(10) H GLU 122 - QG2 VAL 82 OK 14 98 - 15 - 2485/2.1=3, 2479/2.1=2 HD21 ASN 130 - QG2 VAL 82 lone 3 85 - 4 - Peak 2492 from cnoeabs.peaks (2.98, 0.42, 24.59 ppm; 3.06 A): 1 out of 6 assignments used, quality = 0.97: * HA VAL 82 + QG2 VAL 82 OK 97 100 - 97 - 3.2=87, 2.9/6896=27...(22) HB3 ASN 128 - QG2 VAL 82 OK 28 100 - 28 - 2492=8, 2486/2.1=5...(9) HA VAL 71 - QG2 VAL 82 OK 26 85 - 31 - 2492=8, 2486/2.1=4...(8) HB3 TYR 27 - QG2 VAL 82 poor 10 72 - 13 - 2.6/10000=3, ~9975=2...(4) HB2 ASP 30 - QG2 VAL 82 lone 8 99 - 8 - 3.8/9999=2, 2486/2.1=1 HB3 HIS 14 - QG2 VAL 82 lone 3 92 - 3 - Peak 2493 from cnoeabs.peaks (1.37, 0.42, 24.59 ppm; 2.88 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 82 + QG2 VAL 82 OK 100 100 - 100 - 2.1=100 HG LEU 132 - QG2 VAL 82 OK 37 96 - 39 - 3.0/11009=7, 2487/2.1=5...(17) HB2 ARG 109 - QG2 VAL 82 OK 30 89 - 33 - 2493=5, 2487/2.1=4...(16) HB3 LEU 39 - QG2 VAL 82 OK 25 98 - 26 - 3.0/9987=5, 2487/2.1=3...(7) HB2 LEU 69 - QG2 VAL 82 OK 19 77 - 25 - 3.2/8800=3, 4.6/11597=3...(9) HG2 ARG 49 - QG2 VAL 82 OK 12 62 - 19 - 2493=3, 3.9/11597=3...(4) Peak 2494 from cnoeabs.peaks (-1.12, 0.42, 24.59 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + QG2 VAL 82 OK 100 100 - 100 - 2.1=100 Peak 2495 from cnoeabs.peaks (0.42, 0.42, 24.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 82 + QG2 VAL 82 OK 100 100 - 100 Peak 2496 from cnoeabs.peaks (7.90, 0.42, 24.59 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 83 + QG2 VAL 82 OK 100 100 - 100 - 4.4=91, 6907/2.1=41...(32) HD22 ASN 139 - QG2 VAL 82 OK 43 99 - 43 - 2490/2.1=11, 2484/2.1=9...(12) Peak 2497 from cnoeabs.peaks (7.90, 3.67, 64.81 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 83 + HA ILE 83 OK 100 100 - 100 - 2.9=100 HD22 ASN 139 + HA ILE 83 OK 57 99 - 58 - 2514/3.2=12, ~8835=10...(15) Peak 2498 from cnoeabs.peaks (3.67, 3.67, 64.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 83 + HA ILE 83 OK 100 100 - 100 Peak 2499 from cnoeabs.peaks (1.75, 3.67, 64.81 ppm; 3.97 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 83 + HA ILE 83 OK 100 100 - 100 - 3.0=100 HG LEU 95 + HA ILE 83 OK 73 96 - 76 - 4.3/9061=18, 2.1/9075=15...(27) HB2 PRO 12 + HA ILE 83 OK 58 94 - 62 - 2516/3.2=7, 2.3/2502=5...(29) HB2 ARG 49 - HA ILE 83 OK 32 77 - 42 - 3.7/10012=8, 1.8/10013=4...(19) HG3 ARG 140 - HA ILE 83 OK 21 72 - 30 - ~10659=7, 2516/3.2=3...(12) HB2 GLU 81 - HA ILE 83 OK 21 68 - 31 - 4.6/10775=9, 6910/2.9=6...(7) HB3 ARG 35 - HA ILE 83 poor 9 62 - 15 - ~11043=2, ~596=1...(4) Peak 2500 from cnoeabs.peaks (0.85, 3.67, 64.81 ppm; 3.05 A): 2 out of 5 assignments used, quality = 0.98: * QG2 ILE 83 + HA ILE 83 OK 97 100 - 97 - 3.2=86, 3.1/2539=14...(27) QD1 LEU 64 + HA ILE 83 OK 50 99 - 51 - 8376=10, 10627/3.0=9...(20) QD2 LEU 97 - HA ILE 83 OK 44 89 - 49 - 11006/3.8=8, 8855/4.8=7...(22) HB3 LEU 42 - HA ILE 83 OK 21 72 - 29 - 3.0/9067=5, 2509/3.0=3...(12) QG2 ILE 56 - HA ILE 83 lone 8 85 - 9 - 10133/3.8=1 Peak 2501 from cnoeabs.peaks (1.30, 3.67, 64.81 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 83 + HA ILE 83 OK 99 100 - 99 - 3.8=95, 2.1/2539=27...(25) HG LEU 79 + HA ILE 83 OK 51 100 - 52 - 2.1/9075=8, 2518/3.2=7...(17) HG LEU 87 - HA ILE 83 OK 33 99 - 33 - 6912/2.9=6, 10047/9988=5...(9) HG3 LYS 24 - HA ILE 83 OK 15 100 - 15 - 2510/3.0=2, 2518/3.2=2...(6) HG13 ILE 58 - HA ILE 83 OK 13 62 - 21 - ~10016=4, 6926/3.6=3...(8) Peak 2502 from cnoeabs.peaks (1.91, 3.67, 64.81 ppm; 3.75 A): 1 out of 15 assignments used, quality = 1.00: * HG13 ILE 83 + HA ILE 83 OK 100 100 - 100 - 3.8=98, 2.1/2539=27...(22) HG3 PRO 12 - HA ILE 83 OK 45 89 - 50 - 2.3/2499=6, 101/3.0=5...(23) HG2 PRO 12 - HA ILE 83 OK 41 77 - 54 - 2.3/2499=6, 93/3.0=4...(28) HB2 LYS 86 - HA ILE 83 OK 40 100 - 41 - 4.0/10048=11...(13) HB2 MET 59 - HA ILE 83 OK 40 98 - 41 - 8299/3.2=8, 1604/3.0=6...(16) HB ILE 136 - HA ILE 83 OK 37 100 - 37 - ~11041=7, ~10454=6...(11) HB3 LEU 132 - HA ILE 83 OK 27 85 - 31 - 3.0/10013=4, 2519/3.2=4...(12) HB3 LEU 69 - HA ILE 83 OK 23 89 - 25 - 4.6/10774=9, 1.8/10013=3...(7) QE MET 68 - HA ILE 83 OK 22 94 - 23 - 8451=9, 8420/9061=2...(6) HB2 ARG 140 - HA ILE 83 OK 14 72 - 19 - ~10659=4, 2.9/2499=2...(7) HB3 ARG 89 - HA ILE 83 OK 11 68 - 16 - ~8948=5, ~11042=2...(5) HB2 LYS 24 - HA ILE 83 poor 8 68 - 11 - 3.0/2501=2, 11326/3.8=1, ~2510=1 HB2 PRO 118 - HA ILE 83 lone 6 94 - 7 - HB ILE 101 - HA ILE 83 lone 5 72 - 7 - 10108/9124=1 HB2 GLN 62 - HA ILE 83 lone 2 77 - 3 - Peak 2503 from cnoeabs.peaks (0.67, 3.67, 64.81 ppm; 3.70 A): 2 out of 4 assignments used, quality = 0.98: * QD1 ILE 83 + HA ILE 83 OK 96 100 - 96 - 4.2=69, 3.1/2515=25...(25) QD2 LEU 66 + HA ILE 83 OK 47 96 - 49 - 6914/2.9=8, 2520/3.2=7...(15) QD2 LEU 39 - HA ILE 83 OK 42 94 - 45 - 2520/3.2=6, 2512/3.0=6...(16) HB3 LEU 116 - HA ILE 83 OK 28 99 - 28 - 2520/3.2=5, 2512/3.0=5...(8) Peak 2504 from cnoeabs.peaks (8.89, 3.67, 64.81 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 84 + HA ILE 83 OK 100 100 - 100 - 3.6=100 H LYS 34 + HA ILE 83 OK 48 98 - 49 - 2513/3.0=11, 2521/3.2=11...(10) Peak 2505 from cnoeabs.peaks (3.13, 1.75, 38.66 ppm; 4.30 A): 3 out of 5 assignments used, quality = 0.96: * HA VAL 80 + HB ILE 83 OK 87 100 - 87 - 2412=24, 10027/2.1=20...(24) HA LEU 79 + HB ILE 83 OK 49 81 - 60 - 4.8/2412=11, 4.0/9996=9...(18) HA LEU 39 + HB ILE 83 OK 47 94 - 49 - 3.9/2512=6, ~10660=6...(20) HB3 PHE 106 - HB ILE 83 OK 14 77 - 17 - 2505=3, 10027/2.1=3...(9) HB2 TYR 70 - HB ILE 83 lone 6 72 - 8 - 6918/4.7=1, 6901/4.0=1 Peak 2506 from cnoeabs.peaks (7.90, 1.75, 38.66 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 83 + HB ILE 83 OK 99 100 - 99 - 4.0=91, 2514/2.1=24...(32) HD22 ASN 139 + HB ILE 83 OK 60 99 - 61 - 2514/2.1=16, ~8835=14...(10) Peak 2507 from cnoeabs.peaks (3.67, 1.75, 38.66 ppm; 4.44 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.0=100 HA THR 92 + HB ILE 83 OK 49 68 - 73 - 2515/2.1=14, 2531/3.0=11...(23) Peak 2508 from cnoeabs.peaks (1.75, 1.75, 38.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 83 + HB ILE 83 OK 100 100 - 100 Peak 2509 from cnoeabs.peaks (0.85, 1.75, 38.66 ppm; 3.31 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 83 + HB ILE 83 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 + HB ILE 83 OK 69 99 - 70 - 8376/3.0=19, 10627=19...(18) QD2 LEU 97 + HB ILE 83 OK 51 89 - 57 - 11006/3.0=12, 9124/3.0=6...(21) HB3 LEU 42 - HB ILE 83 OK 34 72 - 47 - 3.2/10016=8, 2509=6...(23) QG2 ILE 56 - HB ILE 83 OK 12 85 - 14 - 10133/3.0=2, 2541/3.2=1, ~1453=1 Peak 2510 from cnoeabs.peaks (1.30, 1.75, 38.66 ppm; 4.17 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.0=100 HG LEU 79 + HB ILE 83 OK 72 100 - 73 - 2.1/9996=12, 2518/2.1=11...(24) HG LEU 87 + HB ILE 83 OK 51 99 - 51 - 2518/2.1=7, 2510=6...(20) HG13 ILE 58 - HB ILE 83 OK 35 62 - 56 - ~10024=14, 3.2/10016=12...(17) HG3 LYS 24 - HB ILE 83 OK 28 100 - 27 - 2518/2.1=3, 2542/3.2=3...(13) Peak 2511 from cnoeabs.peaks (1.91, 1.75, 38.66 ppm; 4.30 A): 7 out of 15 assignments used, quality = 1.00: * HG13 ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.0=100 HG3 PRO 12 + HB ILE 83 OK 70 89 - 78 - 2.3/53=9, 2.3/61=9...(42) HB2 MET 59 + HB ILE 83 OK 69 98 - 71 - 8299/2.1=13, 1604=12...(28) HB ILE 136 + HB ILE 83 OK 69 100 - 69 - ~11041=14, ~10658=10...(27) HB3 LEU 132 + HB ILE 83 OK 64 85 - 75 - ~10018=14, ~9999=12...(32) HG2 PRO 12 + HB ILE 83 OK 64 77 - 83 - 2.3/53=9, 2.3/61=9...(50) HB2 LYS 86 + HB ILE 83 OK 57 100 - 58 - 2511=5, ~11043=5...(29) HB2 ARG 140 - HB ILE 83 OK 29 72 - 41 - ~10659=8, 2511=3...(21) QE MET 68 - HB ILE 83 OK 28 94 - 30 - 8451/3.0=14, 6927/4.7=2...(8) HB3 LEU 69 - HB ILE 83 OK 26 89 - 29 - ~10660=3, ~11043=3...(13) HB3 ARG 89 - HB ILE 83 OK 23 68 - 33 - ~8948=9, ~11042=3...(12) HB2 PRO 118 - HB ILE 83 OK 16 94 - 17 - ~10031=2, 2511=2...(4) HB2 LYS 24 - HB ILE 83 OK 16 68 - 23 - 3.0/2510=3, ~11332=2...(10) HB ILE 101 - HB ILE 83 OK 15 72 - 20 - ~10177=3, ~10133=3...(5) HB2 GLN 62 - HB ILE 83 lone 4 77 - 5 - Peak 2512 from cnoeabs.peaks (0.67, 1.75, 38.66 ppm; 3.61 A): 4 out of 4 assignments used, quality = 1.00: * QD1 ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + HB ILE 83 OK 63 96 - 66 - 2520/2.1=9, 2.1/9997=7...(30) QD2 LEU 39 + HB ILE 83 OK 55 94 - 58 - 2520/2.1=8, 865=6...(30) HB3 LEU 116 + HB ILE 83 OK 47 99 - 48 - 2520/2.1=6, 2528/3.0=5...(21) Peak 2513 from cnoeabs.peaks (8.89, 1.75, 38.66 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.96: * H ASN 84 + HB ILE 83 OK 93 100 - 93 - 4.7=55, 2521/2.1=27...(22) H LYS 34 + HB ILE 83 OK 40 98 - 41 - 2521/2.1=11, 2545/3.2=8...(9) Peak 2514 from cnoeabs.peaks (7.90, 0.85, 16.44 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.99: * H ILE 83 + QG2 ILE 83 OK 96 100 - 96 - 3.9=65, 2.9/2515=24...(31) HD22 ASN 139 + QG2 ILE 83 OK 65 99 - 66 - 1.7/8835=16...(13) Peak 2515 from cnoeabs.peaks (3.67, 0.85, 16.44 ppm; 2.99 A): 1 out of 2 assignments used, quality = 0.95: * HA ILE 83 + QG2 ILE 83 OK 95 100 - 95 - 3.2=82, 2539/3.1=14...(27) HA THR 92 - QG2 ILE 83 OK 29 68 - 44 - 3.2/9027=8, 2539/3.1=5...(13) Peak 2516 from cnoeabs.peaks (1.75, 0.85, 16.44 ppm; 2.99 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 83 + QG2 ILE 83 OK 100 100 - 100 - 2.1=100 HG LEU 95 + QG2 ILE 83 OK 53 96 - 55 - 2.1/941=6, ~9075=5...(28) HB2 PRO 12 + QG2 ILE 83 OK 50 94 - 53 - 2540/3.1=4, 2.3/2519=4...(27) HB2 ARG 49 - QG2 ILE 83 OK 24 77 - 31 - 1.8/10660=5, ~11136=4...(12) HG3 ARG 140 - QG2 ILE 83 OK 19 72 - 27 - 1.8/10659=9, 2.9/2519=2...(10) HB2 GLU 81 - QG2 ILE 83 poor 8 68 - 13 - 6910/3.9=3, 6924/4.3=2 HB3 ARG 35 - QG2 ILE 83 poor 7 62 - 12 - 1.8/11043=2, ~10005=1 Peak 2517 from cnoeabs.peaks (0.85, 0.85, 16.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 83 + QG2 ILE 83 OK 100 100 - 100 Peak 2518 from cnoeabs.peaks (1.30, 0.85, 16.44 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 83 + QG2 ILE 83 OK 99 100 - 99 - 3.2=97, 2.1/2520=20...(27) HG LEU 79 + QG2 ILE 83 OK 52 100 - 52 - 2542/3.1=6, 2510/2.1=5...(27) HG LEU 87 - QG2 ILE 83 OK 34 99 - 34 - 10047/9989=4, 2510/2.1=4...(13) HG13 ILE 58 - QG2 ILE 83 OK 20 62 - 31 - ~10024=6, 4.1/10037=5...(13) HG3 LYS 24 - QG2 ILE 83 OK 17 100 - 16 - 2542/3.1=2, 2510/2.1=2...(5) Peak 2519 from cnoeabs.peaks (1.91, 0.85, 16.44 ppm; 3.18 A): 4 out of 15 assignments used, quality = 1.00: * HG13 ILE 83 + QG2 ILE 83 OK 100 100 - 100 - 3.2=98, 2.1/2520=20...(23) HG3 PRO 12 + QG2 ILE 83 OK 49 89 - 56 - 2.3/2516=6, 101/2.1=5...(32) HB ILE 136 + QG2 ILE 83 OK 46 100 - 46 - 3.0/11041=14...(15) HG2 PRO 12 + QG2 ILE 83 OK 46 77 - 59 - 2.3/2516=6, 93/2.1=4...(37) HB3 LEU 132 - QG2 ILE 83 OK 41 85 - 47 - 3.0/10660=7, ~10018=6...(20) HB2 MET 59 - QG2 ILE 83 OK 40 98 - 41 - 8299=7, 3.0/8301=5...(18) HB2 LYS 86 - QG2 ILE 83 OK 35 100 - 35 - 2.9/11043=4, 4.0/8869=3...(17) HB3 ARG 89 - QG2 ILE 83 OK 19 68 - 28 - 3.5/8950=10, 3.0/8948=6...(4) HB3 LEU 69 - QG2 ILE 83 OK 19 89 - 21 - 4.6/10778=5, 1.8/10660=3...(5) HB2 ARG 140 - QG2 ILE 83 OK 19 72 - 26 - 2.9/10659=8, 2.9/2516=2...(5) QE MET 68 - QG2 ILE 83 OK 16 94 - 17 - 8451/3.2=6, 8414/10782=1 HB ILE 101 - QG2 ILE 83 OK 11 72 - 15 - 3.9/11149=4, ~10177=1, ~10133=1 HB2 PRO 118 - QG2 ILE 83 lone 9 94 - 10 - HB2 LYS 24 - QG2 ILE 83 poor 9 68 - 13 - 3.0/2518=2, ~11332=1 HB2 GLN 62 - QG2 ILE 83 lone 3 77 - 3 - Peak 2520 from cnoeabs.peaks (0.67, 0.85, 16.44 ppm; 2.68 A): 3 out of 4 assignments used, quality = 0.93: * QD1 ILE 83 + QG2 ILE 83 OK 85 100 - 85 - 3.1=62, 2.1/2518=12...(22) QD2 LEU 66 + QG2 ILE 83 OK 38 96 - 40 - 2512/2.1=4, 2.1/2516=3...(18) QD2 LEU 39 + QG2 ILE 83 OK 32 94 - 33 - 3.2/10660=4, 2512/2.1=4...(12) HB3 LEU 116 - QG2 ILE 83 OK 26 99 - 27 - 3.0/11043=3, 2512/2.1=3...(10) Peak 2521 from cnoeabs.peaks (8.89, 0.85, 16.44 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.94: * H ASN 84 + QG2 ILE 83 OK 90 100 - 90 - 4.3=53, 2513/2.1=21...(19) H LYS 34 + QG2 ILE 83 OK 36 98 - 36 - 2513/2.1=9, 2545/3.1=7...(9) Peak 2523 from cnoeabs.peaks (3.67, 1.30, 27.66 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 3.8=100 HA THR 92 + HG12 ILE 83 OK 45 68 - 67 - 2523=15, 2531/1.8=13...(15) Peak 2524 from cnoeabs.peaks (1.75, 1.30, 27.66 ppm; 4.68 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 3.0=100 HB2 PRO 12 + HG12 ILE 83 OK 81 94 - 86 - 2540/2.1=10, 2516/3.2=8...(46) HG LEU 95 + HG12 ILE 83 OK 74 96 - 77 - 2.1/11153=12, 2516/3.2=9...(26) HB2 ARG 49 - HG12 ILE 83 OK 44 77 - 57 - ~11136=15, ~10005=5...(20) HG3 ARG 140 - HG12 ILE 83 OK 36 72 - 49 - ~10659=9, 1.8/11137=5...(20) HB2 GLU 81 - HG12 ILE 83 OK 18 68 - 27 - 6910/4.4=5, 3.0/8780=5...(10) HB3 ARG 35 - HG12 ILE 83 OK 15 62 - 24 - ~10005=4, ~11043=2...(11) Peak 2525 from cnoeabs.peaks (0.85, 1.30, 27.66 ppm; 4.06 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HG12 ILE 83 OK 79 99 - 80 - 8376/3.8=25...(24) QD2 LEU 97 + HG12 ILE 83 OK 60 89 - 68 - 11006=22, 9124/3.8=8...(21) HB3 LEU 42 - HG12 ILE 83 OK 39 72 - 54 - 2525=9, 2533/1.8=6...(22) QG2 ILE 56 - HG12 ILE 83 OK 18 85 - 21 - 10133=3, 2541/2.1=2...(7) Peak 2526 from cnoeabs.peaks (1.30, 1.30, 27.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 83 + HG12 ILE 83 OK 100 100 - 100 Peak 2527 from cnoeabs.peaks (1.91, 1.30, 27.66 ppm; 4.07 A): 7 out of 15 assignments used, quality = 1.00: * HG13 ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 1.8=100 HB ILE 136 + HG12 ILE 83 OK 69 100 - 69 - 3.0/9692=13, ~10021=10...(26) HG3 PRO 12 + HG12 ILE 83 OK 68 89 - 77 - 2.3/2524=6, 101/3.0=6...(41) HB2 MET 59 + HG12 ILE 83 OK 65 98 - 67 - 8299/3.2=10, 4.2/10566=9...(25) HB3 LEU 132 + HG12 ILE 83 OK 64 85 - 75 - ~10018=18, ~9999=15...(28) HG2 PRO 12 + HG12 ILE 83 OK 61 77 - 79 - 2.3/2524=6, ~2540=5...(46) HB2 LYS 86 + HG12 ILE 83 OK 54 100 - 54 - ~10005=4, ~2705=4...(25) HB2 ARG 140 - HG12 ILE 83 OK 27 72 - 37 - ~10659=5, 2.9/11137=3...(22) QE MET 68 - HG12 ILE 83 OK 24 94 - 26 - 8451/3.8=12, 2543/2.1=2...(5) HB3 LEU 69 - HG12 ILE 83 OK 21 89 - 23 - ~10660=2, ~11043=2...(11) HB3 ARG 89 - HG12 ILE 83 OK 21 68 - 31 - ~8948=6, 2.8/11137=2...(15) HB ILE 101 - HG12 ILE 83 OK 17 72 - 24 - 2.1/10133=5, 3.2/10177=5...(5) HB2 LYS 24 - HG12 ILE 83 OK 17 68 - 25 - 1.8/11332=3, 3.0/10875=3...(11) HB2 PRO 118 - HG12 ILE 83 OK 15 94 - 16 - ~10031=2, 2543/2.1=1, 2527=1 HB2 GLN 62 - HG12 ILE 83 lone 5 77 - 6 - 4.0/9819=1 Peak 2528 from cnoeabs.peaks (0.67, 1.30, 27.66 ppm; 3.89 A): 4 out of 4 assignments used, quality = 1.00: * QD1 ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + HG12 ILE 83 OK 70 96 - 73 - ~10004=9, 2528=9...(28) HB3 LEU 116 + HG12 ILE 83 OK 58 99 - 58 - ~10021=8, 2536/1.8=6...(20) QD2 LEU 39 + HG12 ILE 83 OK 55 94 - 58 - 2520/3.2=7, 2512/3.0=7...(24) Peak 2530 from cnoeabs.peaks (7.90, 1.91, 27.66 ppm; 6.19 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 4.4=100 HD22 ASN 139 + HG13 ILE 83 OK 85 99 - 86 - ~8835=27, 2514/3.2=20...(18) H ILE 83 - HG3 PRO 12 OK 18 35 - 52 - ~2499=7, 2.9/2531=6...(15) HD22 ASN 139 - HG3 PRO 12 poor 5 34 - 15 - 9736=2, 3.5/9742=1...(7) Peak 2531 from cnoeabs.peaks (3.67, 1.91, 27.66 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 3.8=100 HA THR 92 - HG13 ILE 83 OK 41 68 - 61 - 2531=12, 2539/2.1=12...(13) HA ILE 83 - HG3 PRO 12 OK 20 35 - 57 - 2499/2.3=7, 2502=5...(24) HA THR 92 - HG3 PRO 12 poor 3 19 - 17 - 3.2/9025=2, ~3006=2...(7) Peak 2532 from cnoeabs.peaks (1.75, 1.91, 27.66 ppm; 3.28 A): 3 out of 14 assignments used, quality = 1.00: * HB ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 3.0=100 HB2 PRO 12 + HG13 ILE 83 OK 55 94 - 58 - 80=7, 2540/2.1=7...(30) HG LEU 95 + HG13 ILE 83 OK 50 96 - 52 - 2540/2.1=6, 3.0/10761=6...(24) HB2 PRO 12 - HG3 PRO 12 OK 30 30 - 100 - 2.3=100 HB2 ARG 49 - HG13 ILE 83 OK 28 77 - 36 - 1.8/11136=10, 2540/2.1=3...(15) HG3 ARG 140 - HG13 ILE 83 OK 22 72 - 30 - ~10659=4, 1.8/4734=3...(12) HB ILE 83 - HG3 PRO 12 OK 20 35 - 57 - 85/2.3=7, 93/1.8=6...(32) HG LEU 95 - HG3 PRO 12 OK 17 32 - 54 - 93/1.8=9, 85/2.3=8...(19) HB2 GLU 81 - HG13 ILE 83 poor 9 68 - 13 - 6910/4.4=3, ~8780=2...(6) HB3 ARG 35 - HG13 ILE 83 poor 8 62 - 12 - ~10005=2, ~11043=1, 2540/2.1=1 HB3 ARG 35 - HG3 PRO 12 poor 3 17 - 15 - 93/1.8=2, 85/2.3=2...(7) HG3 ARG 140 - HG3 PRO 12 lone 2 21 - 10 - HB2 ARG 49 - HG3 PRO 12 lone 0 22 - 2 - HB2 GLU 81 - HG3 PRO 12 lone 0 19 - 1 - Peak 2533 from cnoeabs.peaks (0.85, 1.91, 27.66 ppm; 4.18 A): 3 out of 10 assignments used, quality = 1.00: * QG2 ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HG13 ILE 83 OK 81 99 - 81 - 8376/3.8=26...(23) QD2 LEU 97 + HG13 ILE 83 OK 61 89 - 69 - 11006/1.8=21...(20) HB3 LEU 42 - HG13 ILE 83 OK 41 72 - 57 - 2533=9, 2525/1.8=7...(22) QG2 ILE 83 - HG3 PRO 12 OK 28 35 - 78 - 2516/2.3=9, ~93=6, ~53=6...(44) QG2 ILE 56 - HG13 ILE 83 OK 17 85 - 20 - 10133/1.8=3, 2541/2.1=2...(5) QG2 ILE 56 - HG3 PRO 12 poor 5 26 - 18 - ~92=3, ~52=3, ~60=3...(6) QD2 LEU 97 - HG3 PRO 12 poor 3 27 - 12 - ~9116=2, 9124/2.3=2...(4) QD1 LEU 64 - HG3 PRO 12 lone 3 34 - 8 - HB3 LEU 42 - HG3 PRO 12 lone 1 21 - 3 - Peak 2534 from cnoeabs.peaks (1.30, 1.91, 27.66 ppm; 4.64 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 1.8=100 HG LEU 79 + HG13 ILE 83 OK 78 100 - 78 - 2542/2.1=11, 2518/3.2=10...(25) HG LEU 87 + HG13 ILE 83 OK 60 99 - 60 - 2534=10, 2542/2.1=7...(19) HG13 ILE 58 - HG13 ILE 83 OK 40 62 - 64 - ~10024=26, 3.2/8273=12...(15) HG3 LYS 24 - HG13 ILE 83 OK 33 100 - 32 - 2542/2.1=4, 2510/3.0=4...(12) HG12 ILE 83 - HG3 PRO 12 OK 30 35 - 84 - 2524/2.3=8, ~2540=6...(42) HG LEU 79 - HG3 PRO 12 poor 5 34 - 14 - ~8732=2, ~8732=2...(5) HG LEU 87 - HG3 PRO 12 lone 2 34 - 5 - 5.2/6992=1 HG3 LYS 24 - HG3 PRO 12 lone 1 35 - 3 - HG13 ILE 58 - HG3 PRO 12 lone 1 17 - 4 - Peak 2535 from cnoeabs.peaks (1.91, 1.91, 27.66 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 83 + HG13 ILE 83 OK 100 100 - 100 HG3 PRO 12 - HG3 PRO 12 OK 27 27 - 100 Peak 2536 from cnoeabs.peaks (0.67, 1.91, 27.66 ppm; 4.12 A): 4 out of 8 assignments used, quality = 1.00: * QD1 ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + HG13 ILE 83 OK 76 96 - 79 - ~10004=10, 2536=10...(27) HB3 LEU 116 + HG13 ILE 83 OK 63 99 - 64 - ~10021=9, 2528/1.8=8...(19) QD2 LEU 39 + HG13 ILE 83 OK 61 94 - 64 - 2528/1.8=8, 2512/3.0=7...(24) QD1 ILE 83 - HG3 PRO 12 OK 27 35 - 76 - 2540/2.3=9, 2543=5...(42) QD2 LEU 66 - HG3 PRO 12 OK 10 32 - 32 - 8400/3.8=10, 1918/2.3=4...(11) QD2 LEU 39 - HG3 PRO 12 lone 3 30 - 10 - 865/2.3=1 HB3 LEU 116 - HG3 PRO 12 lone 2 34 - 5 - ~10697=3 Peak 2537 from cnoeabs.peaks (8.89, 1.91, 27.66 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 84 + HG13 ILE 83 OK 99 100 - 99 - 2521/3.2=36, 2513/3.0=35...(26) H LYS 34 + HG13 ILE 83 OK 71 98 - 73 - 10022/1.8=19...(11) H ASN 84 - HG3 PRO 12 OK 14 35 - 39 - 3.6/2531=6, 4.3/2519=5...(13) H LYS 34 - HG3 PRO 12 poor 6 33 - 19 - ~10582=8, ~484=1 Peak 2538 from cnoeabs.peaks (7.90, 0.67, 15.13 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.98: * H ILE 83 + QD1 ILE 83 OK 95 100 - 95 - 4.5=52, 2.9/2539=22...(27) HD22 ASN 139 + QD1 ILE 83 OK 49 99 - 50 - 2514/3.1=12, ~8835=10...(10) Peak 2539 from cnoeabs.peaks (3.67, 0.67, 15.13 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.94: * HA ILE 83 + QD1 ILE 83 OK 94 100 - 94 - 4.2=64, 2515/3.1=24...(24) HA THR 92 - QD1 ILE 83 OK 30 68 - 45 - 2515/3.1=9, 2531/2.1=8...(14) Peak 2540 from cnoeabs.peaks (1.75, 0.67, 15.13 ppm; 3.24 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 3.2=100 HB2 PRO 12 + QD1 ILE 83 OK 54 94 - 58 - 80/2.1=5, 2516/3.1=5...(36) HG LEU 95 + QD1 ILE 83 OK 49 96 - 51 - 2516/3.1=5, 3.0/10023=5...(26) HB2 ARG 49 - QD1 ILE 83 OK 26 77 - 34 - ~11136=7, 3.0/10005=4...(12) HG3 ARG 140 - QD1 ILE 83 OK 20 72 - 28 - ~10659=4, 1.8/10023=3...(9) HB2 GLU 81 - QD1 ILE 83 OK 13 68 - 19 - 4.0/10026=4, 6910/4.5=2...(6) HB3 ARG 35 - QD1 ILE 83 poor 8 62 - 13 - 1.8/10005=3, ~11043=1 Peak 2541 from cnoeabs.peaks (0.85, 0.67, 15.13 ppm; 2.60 A): 4 out of 5 assignments used, quality = 0.92: * QG2 ILE 83 + QD1 ILE 83 OK 81 100 - 81 - 3.1=56, 2518/2.1=11...(22) QD1 LEU 64 + QD1 ILE 83 OK 36 99 - 36 - 8376/4.2=8, 10627/3.2=6...(13) QD2 LEU 97 + QD1 ILE 83 OK 25 89 - 28 - 11006/2.1=10, 2509/3.2=3...(11) HB3 LEU 42 + QD1 ILE 83 OK 16 72 - 22 - 1.8/11065=5, 2525/2.1=2...(7) QG2 ILE 56 - QD1 ILE 83 lone 7 85 - 9 - 10133/2.1=2 Peak 2542 from cnoeabs.peaks (1.30, 0.67, 15.13 ppm; 2.96 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 2.1=100 HG LEU 79 + QD1 ILE 83 OK 48 100 - 48 - 3.0/10022=6, 2518/3.1=5...(24) HG LEU 87 - QD1 ILE 83 OK 31 99 - 31 - 3.0/10003=3, 2518/3.1=3...(14) HG13 ILE 58 - QD1 ILE 83 OK 22 62 - 35 - 3.2/10024=21, ~8273=3...(9) HG3 LYS 24 - QD1 ILE 83 OK 17 100 - 17 - 3.0/10003=2, 1.8/10005=2...(5) Peak 2543 from cnoeabs.peaks (1.91, 0.67, 15.13 ppm; 3.25 A): 5 out of 15 assignments used, quality = 1.00: * HG13 ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 2.1=100 HB ILE 136 + QD1 ILE 83 OK 53 100 - 53 - 2.9/10021=11, ~9692=5...(25) HB3 LEU 132 + QD1 ILE 83 OK 51 85 - 59 - 3.2/10018=20...(25) HG3 PRO 12 + QD1 ILE 83 OK 50 89 - 57 - 2.3/2540=6, 101/3.2=4...(39) HG2 PRO 12 + QD1 ILE 83 OK 46 77 - 59 - 2.3/2540=6, 96/2.1=4...(43) HB2 MET 59 - QD1 ILE 83 OK 40 98 - 41 - 8299/3.1=6, 1604/3.2=4...(17) HB2 LYS 86 - QD1 ILE 83 OK 35 100 - 35 - 2.9/10005=5, ~2694=2...(20) QE MET 68 - QD1 ILE 83 OK 19 94 - 20 - 8451/4.2=6, 8414/10039=1 HB2 ARG 140 - QD1 ILE 83 OK 17 72 - 24 - ~10659=3, 2.9/10023=2...(5) HB3 LEU 69 - QD1 ILE 83 OK 14 89 - 16 - 1.8/10005=2, ~10660=1...(4) HB3 ARG 89 - QD1 ILE 83 OK 13 68 - 19 - ~8948=3, 2.8/10023=2...(5) HB2 LYS 24 - QD1 ILE 83 OK 11 68 - 17 - 3.0/2542=2, 3.7/10003=2...(6) HB2 PRO 118 - QD1 ILE 83 OK 11 94 - 12 - 3.0/10031=2 HB ILE 101 - QD1 ILE 83 poor 10 72 - 14 - ~10177=2, ~10133=2...(4) HB2 GLN 62 - QD1 ILE 83 lone 5 77 - 6 - 8347/10024=1, 8342/9984=1 Peak 2544 from cnoeabs.peaks (0.67, 0.67, 15.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 83 + QD1 ILE 83 OK 100 100 - 100 Peak 2545 from cnoeabs.peaks (8.89, 0.67, 15.13 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.97: * H ASN 84 + QD1 ILE 83 OK 94 100 - 94 - 6928=26, 2521/3.1=26...(22) H LYS 34 + QD1 ILE 83 OK 47 98 - 48 - 2521/3.1=10, 2513/3.2=10...(10) Peak 2546 from cnoeabs.peaks (8.89, 4.43, 55.60 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 84 + HA ASN 84 OK 100 100 - 100 - 2.9=100 H LYS 34 - HA ASN 84 OK 28 98 - 29 - 8092/3.0=6, 2562/3.0=4...(10) Peak 2547 from cnoeabs.peaks (4.43, 4.43, 55.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 84 + HA ASN 84 OK 100 100 - 100 Peak 2548 from cnoeabs.peaks (2.71, 4.43, 55.60 ppm; 3.19 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASN 84 + HA ASN 84 OK 100 100 - 100 - 3.0=100 HB3 MET 46 - HA ASN 84 OK 11 98 - 11 - 2564/3.0=2, 6930/2.9=2 HB3 GLU 120 - HA ASN 84 poor 10 85 - 11 - 2564/3.0=3, 6930/2.9=1...(4) HB3 CYS 121 - HA ASN 84 lone 7 96 - 8 - 6930/2.9=1, 2564/3.0=1 HB2 PHE 38 - HA ASN 84 lone 6 72 - 8 - ~797=1 HB3 TYR 70 - HA ASN 84 lone 6 72 - 7 - 2564/3.0=1, 6954/3.6=1 Peak 2549 from cnoeabs.peaks (2.78, 4.43, 55.60 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 84 + HA ASN 84 OK 100 100 - 100 - 3.0=100 HB3 TYR 119 - HA ASN 84 OK 38 100 - 38 - 2557/3.0=7, 2563=5...(14) HB2 ASP 41 - HA ASN 84 OK 13 89 - 14 - 3.8/6294=2, 2557/3.0=2...(5) HG3 GLN 111 - HA ASN 84 OK 12 100 - 11 - 2557/3.0=2, ~3641=1...(5) Peak 2550 from cnoeabs.peaks (6.64, 4.43, 55.60 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 84 + HA ASN 84 OK 100 100 - 100 - 4.5=100 Peak 2551 from cnoeabs.peaks (7.43, 4.43, 55.60 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 84 + HA ASN 84 OK 100 100 - 100 - 4.5=100 H ILE 101 - HA ASN 84 OK 24 100 - 23 - 6933/2.9=9, 2559/3.0=6...(5) Peak 2552 from cnoeabs.peaks (8.56, 4.43, 55.60 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 85 + HA ASN 84 OK 100 100 - 100 - 3.6=100 H ASP 40 - HA ASN 84 OK 33 77 - 43 - 2560/3.0=6, 6934/2.9=6...(15) H LEU 72 - HA ASN 84 OK 16 94 - 17 - 6934/2.9=4, 2560/3.0=3...(5) Peak 2553 from cnoeabs.peaks (4.02, 2.71, 37.92 ppm; 4.71 A): 6 out of 7 assignments used, quality = 0.92: * HA GLU 81 + HB2 ASN 84 OK 58 100 - 58 - 2440/1.8=20, 2439=19...(6) HA VAL 63 + HB2 ASN 84 OK 43 99 - 44 - 2561/1.8=9, 8364/3.0=9...(11) HA GLU 37 + HB2 ASN 84 OK 31 100 - 31 - 2440/1.8=9, 2439=7...(7) HA LYS 123 + HB2 ASN 84 OK 22 100 - 22 - 2561/1.8=5, 6919/4.0=4...(7) HB THR 107 + HB2 ASN 84 OK 21 98 - 22 - ~9254=5, 2561/1.8=5...(6) HB3 SER 100 + HB2 ASN 84 OK 16 85 - 19 - 10166/3.5=5, 4.5/2559=5...(6) HB2 SER 103 - HB2 ASN 84 lone 3 85 - 3 - Peak 2554 from cnoeabs.peaks (8.89, 2.71, 37.92 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.97: * H ASN 84 + HB2 ASN 84 OK 97 100 - 97 - 4.0=86, 6931/1.8=31...(10) H LYS 34 - HB2 ASN 84 OK 38 98 - 38 - 8092=11, 2546/3.0=7...(7) Peak 2555 from cnoeabs.peaks (4.43, 2.71, 37.92 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 84 + HB2 ASN 84 OK 100 100 - 100 - 3.0=100 HA ILE 58 - HB2 ASN 84 OK 41 100 - 41 - 2563/1.8=9, 6929/4.0=5...(14) HA ASP 40 - HB2 ASN 84 OK 30 89 - 34 - 2563/1.8=7, 2.9/2560=5...(13) Peak 2556 from cnoeabs.peaks (2.71, 2.71, 37.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 84 + HB2 ASN 84 OK 100 100 - 100 Peak 2557 from cnoeabs.peaks (2.78, 2.71, 37.92 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 84 + HB2 ASN 84 OK 100 100 - 100 - 1.8=100 HB3 TYR 119 - HB2 ASN 84 OK 45 100 - 45 - 2564=11, 2549/3.0=6...(15) HG3 GLN 111 - HB2 ASN 84 OK 13 100 - 12 - ~3641=2, 2549/3.0=2...(5) HB2 ASP 41 - HB2 ASN 84 OK 12 89 - 13 - 901/1.8=2, 2549/3.0=2...(9) Peak 2558 from cnoeabs.peaks (6.64, 2.71, 37.92 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 84 + HB2 ASN 84 OK 100 100 - 100 - 3.5=100 Peak 2559 from cnoeabs.peaks (7.43, 2.71, 37.92 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 84 + HB2 ASN 84 OK 100 100 - 100 - 3.5=100 H ILE 101 - HB2 ASN 84 OK 19 100 - 19 - 6933/4.0=5, 2567/1.8=5...(5) Peak 2560 from cnoeabs.peaks (8.56, 2.71, 37.92 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.98: * H LYS 85 + HB2 ASN 84 OK 98 100 - 98 - 4.7=89, 6955/1.8=36...(9) H ASP 40 - HB2 ASN 84 OK 34 77 - 43 - 2552/3.0=8, 2.9/2555=7...(11) H LEU 72 - HB2 ASN 84 OK 17 94 - 18 - 6934/4.0=4, 2552/3.0=4...(5) Peak 2561 from cnoeabs.peaks (4.02, 2.78, 37.92 ppm; 4.61 A): 6 out of 14 assignments used, quality = 0.91: * HA GLU 81 + HB3 ASN 84 OK 56 100 - 56 - 2440=21, 2439/1.8=18...(5) HA VAL 63 + HB3 ASN 84 OK 42 99 - 42 - 2553/1.8=9, 8364/3.0=9...(10) HA GLU 37 + HB3 ASN 84 OK 32 100 - 32 - 2440=9, 2553/1.8=8...(6) HA GLU 37 + HB3 TYR 119 OK 22 98 - 22 - 2440=5, ~4753=5...(5) HA LYS 123 + HB3 ASN 84 OK 21 100 - 21 - 2553/1.8=5, 6919/4.0=3...(6) HB THR 107 + HB3 ASN 84 OK 19 98 - 20 - 2.1/9254=7, 2553/1.8=5...(5) HA LYS 123 - HB3 TYR 119 OK 18 97 - 19 - ~7519=6, ~3988=4...(5) HB3 SER 100 - HB3 ASN 84 OK 16 85 - 18 - 10166/3.5=5, 4.5/2567=4...(6) HA GLU 81 - HB3 TYR 119 OK 10 98 - 11 - 2440=3, 2438/6931=2...(4) HA VAL 63 - HB3 TYR 119 OK 10 96 - 11 - ~10935=2, 8348/11033=1 HB THR 107 - HB3 TYR 119 lone 6 94 - 6 - 2.1/9254=2 HB2 SER 103 - HB3 ASN 84 lone 3 85 - 4 - HB3 SER 100 - HB3 TYR 119 lone 3 81 - 3 - HB2 SER 103 - HB3 TYR 119 lone 2 81 - 2 - Peak 2562 from cnoeabs.peaks (8.89, 2.78, 37.92 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 4.0=100 H ASN 84 - HB3 TYR 119 OK 37 98 - 39 - 6931=10, 2.9/2549=9...(8) H LYS 34 - HB3 ASN 84 OK 36 98 - 37 - 8092/1.8=13, 2546/3.0=8...(6) H LYS 34 - HB3 TYR 119 OK 11 94 - 12 - 8093/1.8=6, 8092/2557=1 Peak 2563 from cnoeabs.peaks (4.43, 2.78, 37.92 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 3.0=100 HA ASN 84 + HB3 TYR 119 OK 55 98 - 56 - 2549=12, 3.0/2557=10...(14) HA ILE 58 - HB3 ASN 84 OK 45 100 - 45 - 2555/1.8=10, 6929/4.0=6...(13) HA ASP 40 - HB3 ASN 84 OK 36 89 - 40 - 2555/1.8=7, 2.9/2568=4...(15) HA ILE 58 - HB3 TYR 119 lone 8 98 - 9 - 4.1/11033=3 HA ASP 40 - HB3 TYR 119 lone 6 84 - 7 - 3.6/6298=1 Peak 2564 from cnoeabs.peaks (2.71, 2.78, 37.92 ppm; 3.21 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 1.8=100 HB2 ASN 84 - HB3 TYR 119 OK 45 98 - 46 - 2557=13, 3.0/2549=6...(15) HB3 GLU 120 - HB3 ASN 84 OK 13 85 - 16 - 3.6/7480=3, 2548/3.0=2...(5) HB3 MET 46 - HB3 ASN 84 OK 12 98 - 12 - 2548/3.0=2, 6938/3.5=1...(5) HB3 CYS 121 - HB3 ASN 84 lone 9 96 - 9 - ~4050=1, 2548/3.0=1, ~4045=1 HB3 GLU 120 - HB3 TYR 119 lone 8 81 - 10 - 3.6/7480=9 HB2 PHE 38 - HB3 ASN 84 lone 7 72 - 10 - 3.0/797=3, 2548/3.0=1 HB3 TYR 70 - HB3 ASN 84 lone 5 72 - 7 - 2548/3.0=1 HB3 MET 46 - HB3 TYR 119 lone 4 94 - 4 - 7485/4.4=2 HB2 PHE 38 - HB3 TYR 119 lone 3 68 - 4 - 7485/4.4=2, 3.0/796=1 HB3 CYS 121 - HB3 TYR 119 lone 2 92 - 2 - HB3 TYR 70 - HB3 TYR 119 lone 1 68 - 2 - Peak 2565 from cnoeabs.peaks (2.78, 2.78, 37.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 84 + HB3 ASN 84 OK 100 100 - 100 HB3 TYR 119 + HB3 TYR 119 OK 98 98 - 100 Peak 2566 from cnoeabs.peaks (6.64, 2.78, 37.92 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 3.5=100 HD21 ASN 84 - HB3 TYR 119 OK 35 98 - 36 - 3.5/2557=10, 1.7/2567=9...(5) Peak 2567 from cnoeabs.peaks (7.43, 2.78, 37.92 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 3.5=100 HD22 ASN 84 - HB3 TYR 119 OK 33 98 - 34 - 3.5/2557=9, 1.7/2566=9...(6) H ILE 101 - HB3 ASN 84 OK 21 100 - 21 - 2559/1.8=7, 6933/4.0=6...(5) H ILE 101 - HB3 TYR 119 lone 3 97 - 3 - Peak 2568 from cnoeabs.peaks (8.56, 2.78, 37.92 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 85 + HB3 ASN 84 OK 100 100 - 100 - 4.7=100 H ASP 40 - HB3 ASN 84 OK 40 77 - 52 - 2560/1.8=10, 2552/3.0=9...(14) H LYS 85 - HB3 TYR 119 OK 38 98 - 39 - 3.6/2549=10, 4.7/2557=9...(6) H LEU 72 - HB3 ASN 84 OK 21 94 - 22 - 2560/1.8=5, 6934/4.0=4...(6) H ASP 40 - HB3 TYR 119 lone 7 72 - 9 - 4.1/6298=2, 6305/6309=1 H LEU 72 - HB3 TYR 119 lone 4 90 - 4 - Peak 2569 from cnoeabs.peaks (8.56, 4.22, 55.53 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 85 + HA LYS 85 OK 100 100 - 100 - 3.0=100 H LEU 72 - HA LYS 85 OK 29 94 - 31 - 2593/2.9=6, 2581/2.9=6...(13) H ASP 40 - HA LYS 85 OK 17 77 - 22 - 2581/2.9=3, 2593/2.9=3...(8) Peak 2570 from cnoeabs.peaks (4.22, 4.22, 55.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 85 + HA LYS 85 OK 100 100 - 100 Peak 2571 from cnoeabs.peaks (1.70, 4.22, 55.53 ppm; 3.44 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 85 + HA LYS 85 OK 100 100 - 100 - 2.9=100 HD2 LYS 86 + HA LYS 85 OK 50 100 - 50 - 2725/3.6=12, 3.5/8861=7...(14) HB ILE 58 - HA LYS 85 OK 34 100 - 34 - 8271/4.0=5, 2595/2.9=5...(13) HB3 LEU 95 - HA LYS 85 OK 21 100 - 21 - 6984/3.6=3, 2595/2.9=3...(7) HG LEU 26 - HA LYS 85 lone 6 81 - 7 - Peak 2572 from cnoeabs.peaks (1.86, 4.22, 55.53 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 85 + HA LYS 85 OK 100 100 - 100 - 2.9=100 HB3 LYS 76 + HA LYS 85 OK 52 99 - 53 - 2594=6, 3.0/2574=5...(28) HB2 LYS 48 - HA LYS 85 OK 44 94 - 46 - 1148=6, 1.8/1160=5...(19) HB3 LYS 48 - HA LYS 85 OK 31 72 - 44 - 1.8/1148=6, 1148=5...(19) HG LEU 69 - HA LYS 85 OK 19 100 - 19 - ~9876=3, 6972/3.6=2...(9) HB2 LYS 36 - HA LYS 85 OK 13 81 - 16 - 1148=1, 2584/2.9=1, 3.0/2576=1 HB3 GLU 28 - HA LYS 85 OK 13 98 - 13 - 2584/2.9=1, ~314=1...(4) HB2 ARG 144 - HA LYS 85 OK 12 85 - 14 - 1.8/2571=2, 2584/2.9=1 Peak 2573 from cnoeabs.peaks (1.32, 4.22, 55.53 ppm; 3.15 A): 2 out of 2 assignments used, quality = 0.92: * HG2 LYS 85 + HA LYS 85 OK 90 100 - 90 - 4.0=48, 6961/3.0=22...(38) HG LEU 79 + HA LYS 85 OK 13 72 - 17 - 2585/2.9=3, 2597/2.9=3...(6) Peak 2574 from cnoeabs.peaks (1.52, 4.22, 55.53 ppm; 3.21 A): 3 out of 9 assignments used, quality = 0.98: * HG3 LYS 85 + HA LYS 85 OK 93 100 - 93 - 4.0=51, 1.8/2573=31...(38) HG2 LYS 93 + HA LYS 85 OK 50 94 - 53 - 3046=6, 1.8/3057=6...(20) HG3 LYS 76 + HA LYS 85 OK 45 94 - 48 - 3046=5, 2598/2.9=5...(23) HD2 LYS 76 - HA LYS 85 OK 33 81 - 40 - 3.5/2572=4, 2598/2.9=3...(18) HG3 PRO 57 - HA LYS 85 OK 14 100 - 14 - 2.3/8861=3, ~10587=2...(7) HB2 LEU 29 - HA LYS 85 OK 12 99 - 12 - 6974/3.6=2, 2586/2.9=2...(6) HB2 LYS 123 - HA LYS 85 OK 12 99 - 12 - 9465/8860=3, 6962/3.0=2...(6) QB ALA 135 - HA LYS 85 lone 10 100 - 10 - 6962/3.0=3, 6974/3.6=2 HB2 GLU 122 - HA LYS 85 lone 3 81 - 4 - Peak 2575 from cnoeabs.peaks (1.57, 4.22, 55.53 ppm; 3.25 A): 2 out of 9 assignments used, quality = 0.98: * HD2 LYS 85 + HA LYS 85 OK 88 100 - 88 - 5.2=24, 3.0/2573=23...(39) HD3 LYS 85 + HA LYS 85 OK 81 92 - 88 - 5.2=24, 3.0/2573=23...(38) HG2 ARG 109 - HA LYS 85 OK 36 99 - 36 - 2587/2.9=4, 2599/2.9=4...(19) HG3 ARG 109 - HA LYS 85 OK 27 77 - 35 - 3561/2.9=4, 2.8/2571=3...(19) HG3 ARG 145 - HA LYS 85 OK 16 100 - 16 - 2587/2.9=2, 2599/2.9=2...(8) HG2 ARG 145 - HA LYS 85 OK 16 100 - 16 - 2587/2.9=2, 2599/2.9=2...(7) HB2 LEU 126 - HA LYS 85 OK 15 100 - 15 - 1.8/2572=2, 4277/2.9=2...(7) HB2 LEU 66 - HA LYS 85 lone 3 99 - 3 - HG3 ARG 124 - HA LYS 85 lone 1 85 - 2 - Peak 2576 from cnoeabs.peaks (1.57, 4.22, 55.53 ppm; 3.25 A): 2 out of 9 assignments used, quality = 0.98: * HD3 LYS 85 + HA LYS 85 OK 88 100 - 88 - 5.2=24, 3.0/2573=23...(38) HD2 LYS 85 + HA LYS 85 OK 81 92 - 88 - 5.2=24, 3.0/2573=23...(39) HG3 ARG 109 - HA LYS 85 OK 37 99 - 38 - 3561/2.9=6, 2600/2.9=4...(20) HG2 ARG 109 - HA LYS 85 OK 27 77 - 35 - 2587/2.9=3, 2.8/2571=3...(19) HG2 ARG 145 - HA LYS 85 OK 15 96 - 16 - 2588/2.9=2, 2600/2.9=2...(6) HG3 ARG 145 - HA LYS 85 OK 14 92 - 15 - 2587/2.9=2, 2600/2.9=2...(6) HB2 LEU 126 - HA LYS 85 OK 14 96 - 15 - 1.8/2572=2, 4277/2.9=2...(7) HB2 LEU 66 - HA LYS 85 lone 3 99 - 3 - HG3 ARG 124 - HA LYS 85 lone 2 100 - 2 - Peak 2577 from cnoeabs.peaks (2.95, 4.22, 55.53 ppm; 4.33 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 85 + HA LYS 85 OK 97 100 - 97 - 5.8=41, 3.5/2573=33...(55) HE3 LYS 85 + HA LYS 85 OK 95 98 - 97 - 5.8=41, 3.5/2573=33...(54) HE2 LYS 93 + HA LYS 85 OK 68 100 - 68 - 3.0/2571=7, 3.8/2574=6...(33) HE3 LYS 93 + HA LYS 85 OK 62 89 - 69 - 3.0/2571=7, 3.8/2574=6...(39) HE2 LYS 48 + HA LYS 85 OK 60 100 - 61 - 3.6/8186=5, 2601/2.9=4...(30) HE3 LYS 48 + HA LYS 85 OK 60 100 - 60 - 3.6/8186=5, 2601/2.9=4...(30) HB2 PHE 106 - HA LYS 85 lone 6 100 - 6 - ~3429=2 HE3 LYS 61 - HA LYS 85 lone 5 68 - 7 - 8336/8904=2 HE2 LYS 61 - HA LYS 85 lone 5 68 - 7 - 8336/8904=1 HB2 TYR 115 - HA LYS 85 lone 4 100 - 4 - HB3 PHE 67 - HA LYS 85 lone 3 100 - 3 - HB3 ASN 130 - HA LYS 85 lone 1 72 - 1 - Peak 2578 from cnoeabs.peaks (2.94, 4.22, 55.53 ppm; 4.33 A): 6 out of 12 assignments used, quality = 1.00: * HE3 LYS 85 + HA LYS 85 OK 97 100 - 97 - 5.8=41, 3.5/2573=33...(55) HE2 LYS 85 + HA LYS 85 OK 95 98 - 97 - 5.8=41, 3.5/2573=33...(55) HE3 LYS 93 + HA LYS 85 OK 69 99 - 70 - 3.0/2571=7, 3.8/2574=6...(39) HE2 LYS 93 + HA LYS 85 OK 65 96 - 67 - 3.0/2571=7, 3.8/2574=6...(33) HE3 LYS 48 + HA LYS 85 OK 59 100 - 60 - 3.6/8186=5, 2602/2.9=4...(30) HE2 LYS 48 + HA LYS 85 OK 57 94 - 60 - 3.6/8186=5, 2601/2.9=4...(30) HE3 LYS 61 - HA LYS 85 lone 7 89 - 8 - 8336/8904=2, 8336/8860=1 HE2 LYS 61 - HA LYS 85 lone 7 89 - 8 - 8336/8904=2, 8336/8860=1 HB2 PHE 106 - HA LYS 85 lone 5 92 - 5 - ~3429=2 HB2 TYR 115 - HA LYS 85 lone 3 94 - 3 - HB3 PHE 67 - HA LYS 85 lone 3 92 - 3 - HB3 ASN 130 - HA LYS 85 lone 1 92 - 1 - Peak 2579 from cnoeabs.peaks (7.55, 4.22, 55.53 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 86 + HA LYS 85 OK 100 100 - 100 - 3.6=100 HD21 ASN 54 - HA LYS 85 OK 14 100 - 14 - 6967/3.0=4, 3.5/8862=3...(5) Peak 2580 from cnoeabs.peaks (2.98, 1.70, 31.43 ppm; 4.93 A): 4 out of 6 assignments used, quality = 0.88: * HA VAL 82 + HB2 LYS 85 OK 77 100 - 77 - 2580=33, 2592/1.8=25...(15) HA VAL 71 + HB2 LYS 85 OK 30 85 - 35 - 2580=12, 3.6/2581=9...(5) HB3 ASN 128 + HB2 LYS 85 OK 14 100 - 14 - 2580=6, 2592/1.8=3, 6949/3.9=3 HB2 ASP 30 + HB2 LYS 85 OK 11 99 - 11 - 2592/1.8=4, 6949/3.9=2...(4) HB3 TYR 27 - HB2 LYS 85 poor 7 72 - 10 - 2592/1.8=3, 3.0/8043=2...(5) HB3 HIS 14 - HB2 LYS 85 lone 3 92 - 3 - Peak 2581 from cnoeabs.peaks (8.56, 1.70, 31.43 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: * H LYS 85 + HB2 LYS 85 OK 99 100 - 99 - 3.9=90, 6961/3.0=30...(25) H LEU 72 - HB2 LYS 85 OK 37 94 - 39 - 2593/1.8=9, 2604/3.0=6...(10) H ASP 40 - HB2 LYS 85 OK 20 77 - 26 - 2593/1.8=5, 2569/2.9=4...(8) Peak 2582 from cnoeabs.peaks (4.22, 1.70, 31.43 ppm; 4.13 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 2.9=100 HA LYS 93 + HB2 LYS 85 OK 72 96 - 75 - 2582=11, 2605/3.0=11...(31) HA THR 102 - HB2 LYS 85 OK 37 89 - 41 - 3.0/2582=5, 2594/1.8=5...(19) HB THR 102 - HB2 LYS 85 OK 36 89 - 40 - 2582=7, 2594/1.8=5...(17) HA PHE 45 - HB2 LYS 85 OK 18 96 - 19 - 1020/1.8=3, 2582=2...(5) HA ILE 101 - HB2 LYS 85 OK 14 81 - 17 - 4.1/10179=5, 1020/1.8=2...(4) HA ARG 141 - HB2 LYS 85 poor 8 68 - 11 - 2582=2, 2594/1.8=1...(4) HA ALA 134 - HB2 LYS 85 lone 7 68 - 10 - ~10321=3 Peak 2583 from cnoeabs.peaks (1.70, 1.70, 31.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 Peak 2584 from cnoeabs.peaks (1.86, 1.70, 31.43 ppm; 3.43 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 1.8=100 HB3 LYS 76 + HB2 LYS 85 OK 67 99 - 68 - 2584=7, 2607/3.0=6...(40) HB2 LYS 48 + HB2 LYS 85 OK 52 94 - 55 - 2584=6, 2607/3.0=5...(32) HB3 LYS 48 - HB2 LYS 85 OK 38 72 - 53 - 2584=5, 1.8/2584=5...(31) HG LEU 69 - HB2 LYS 85 OK 23 100 - 23 - 2584=3, ~2040=2...(13) HB3 GLU 28 - HB2 LYS 85 OK 18 98 - 18 - 2584=2, ~314=2, ~314=2...(12) HB2 ARG 144 - HB2 LYS 85 OK 18 85 - 20 - 2584=2, ~4894=1, ~4894=1...(7) HB2 LYS 36 - HB2 LYS 85 OK 17 81 - 20 - 2584=2, 2618/3.0=1...(7) Peak 2585 from cnoeabs.peaks (1.32, 1.70, 31.43 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.0=100 HG LEU 79 - HB2 LYS 85 OK 22 72 - 30 - 2597/1.8=6, 2573/2.9=5...(10) Peak 2586 from cnoeabs.peaks (1.52, 1.70, 31.43 ppm; 3.78 A): 4 out of 9 assignments used, quality = 1.00: * HG3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.0=100 HG3 LYS 76 + HB2 LYS 85 OK 75 94 - 79 - 2586=10, 2598/1.8=8...(51) HG2 LYS 93 + HB2 LYS 85 OK 74 94 - 79 - 2586=8, 2598/1.8=8...(45) HD2 LYS 76 + HB2 LYS 85 OK 57 81 - 71 - 3.0/2586=6, 2586=6...(42) HB2 LEU 29 - HB2 LYS 85 OK 35 99 - 35 - ~10042=7, 2586=4...(15) HG3 PRO 57 - HB2 LYS 85 OK 23 100 - 23 - ~8861=2, 2586=2...(11) HB2 LYS 123 - HB2 LYS 85 OK 23 99 - 23 - 9465/10038=4, 2598/1.8=2...(9) QB ALA 135 - HB2 LYS 85 OK 16 100 - 16 - 6962/3.9=3, 2586=2...(5) HB2 GLU 122 - HB2 LYS 85 OK 13 81 - 16 - 4.0/9460=5, 2586=2, ~4075=1 Peak 2587 from cnoeabs.peaks (1.57, 1.70, 31.43 ppm; 3.36 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 85 + HB2 LYS 85 OK 99 100 - 99 - 3.6=83, 2630/3.0=16...(66) HD3 LYS 85 + HB2 LYS 85 OK 91 92 - 99 - 3.6=83, 2641/3.0=14...(65) HG2 ARG 109 + HB2 LYS 85 OK 59 99 - 60 - 1.8/3561=9, 2587=7...(33) HG3 ARG 109 - HB2 LYS 85 OK 45 77 - 58 - 3561=7, 1.8/2587=5...(34) HG3 ARG 145 - HB2 LYS 85 OK 30 100 - 29 - 2587=4, 1.8/2587=3...(9) HG2 ARG 145 - HB2 LYS 85 OK 30 100 - 29 - 2587=4, 1.8/2587=3...(9) HB2 LEU 126 - HB2 LYS 85 OK 27 100 - 27 - 1.8/2584=3, 2587=3...(13) HB2 LEU 66 - HB2 LYS 85 lone 7 99 - 7 - HG3 ARG 124 - HB2 LYS 85 lone 3 85 - 4 - Peak 2588 from cnoeabs.peaks (1.57, 1.70, 31.43 ppm; 3.36 A): 4 out of 9 assignments used, quality = 1.00: * HD3 LYS 85 + HB2 LYS 85 OK 99 100 - 99 - 3.6=83, 2641/3.0=17...(65) HD2 LYS 85 + HB2 LYS 85 OK 91 92 - 99 - 3.6=83, 2630/3.0=14...(66) HG3 ARG 109 + HB2 LYS 85 OK 61 99 - 62 - 3561=10, 2600/1.8=6...(34) HG2 ARG 109 + HB2 LYS 85 OK 45 77 - 59 - 1.8/3561=9, 2587=6...(32) HG2 ARG 145 - HB2 LYS 85 OK 28 96 - 29 - 2587=3, 1.8/2587=3...(9) HG3 ARG 145 - HB2 LYS 85 OK 26 92 - 28 - 2587=3, 1.8/2587=3...(9) HB2 LEU 126 - HB2 LYS 85 OK 25 96 - 26 - 1.8/2584=3, 2587=3...(13) HB2 LEU 66 - HB2 LYS 85 lone 6 99 - 6 - HG3 ARG 124 - HB2 LYS 85 lone 4 100 - 4 - Peak 2592 from cnoeabs.peaks (2.98, 1.86, 31.43 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.68: * HA VAL 82 + HB3 LYS 85 OK 60 100 - 60 - 2580/1.8=24, 6949/3.9=17...(10) HA VAL 71 + HB3 LYS 85 OK 21 85 - 25 - 2580/1.8=9, 3.6/2593=8...(4) HB2 ASP 30 - HB3 LYS 85 lone 9 99 - 9 - 2580/1.8=3, 6949/3.9=2 HB3 ASN 128 - HB3 LYS 85 lone 8 100 - 8 - 2580/1.8=4, 6949/3.9=3 HB3 TYR 27 - HB3 LYS 85 lone 7 72 - 9 - 4.7/6110=2, 2580/1.8=2...(5) HB3 HIS 14 - HB3 LYS 85 lone 2 92 - 2 - Peak 2593 from cnoeabs.peaks (8.56, 1.86, 31.43 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.97: * H LYS 85 + HB3 LYS 85 OK 97 100 - 97 - 3.9=81, 6961/3.0=29...(21) H LEU 72 - HB3 LYS 85 OK 34 94 - 36 - 2581/1.8=8, 2604/3.0=6...(10) H ASP 40 - HB3 LYS 85 OK 18 77 - 23 - 2581/1.8=5, 2569/2.9=3...(8) Peak 2594 from cnoeabs.peaks (4.22, 1.86, 31.43 ppm; 3.13 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 2.9=100 HA LYS 93 + HB3 LYS 85 OK 46 96 - 48 - 2605/3.0=7, 2616/3.0=6...(24) HA THR 102 - HB3 LYS 85 OK 20 89 - 22 - 3370/2.9=3, 2582/1.8=3...(7) HB THR 102 - HB3 LYS 85 OK 19 89 - 21 - 2582/1.8=3, 2605/3.0=3...(9) HA PHE 45 - HB3 LYS 85 OK 11 96 - 12 - 1020=3, 2582/1.8=1 HA ILE 101 - HB3 LYS 85 lone 7 81 - 8 - 1020=2, 2582/1.8=1 HA ALA 134 - HB3 LYS 85 lone 4 68 - 6 - 2.1/10321=2 HA ARG 141 - HB3 LYS 85 lone 4 68 - 5 - Peak 2595 from cnoeabs.peaks (1.70, 1.86, 31.43 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 1.8=100 HD2 LYS 86 - HB3 LYS 85 OK 39 100 - 39 - 2725/4.6=7, 2571/2.9=5...(15) HB ILE 58 - HB3 LYS 85 OK 34 100 - 34 - 8271/3.0=5, 2617/3.0=4...(16) HB3 LEU 95 - HB3 LYS 85 OK 18 100 - 18 - 2617/3.0=2, 2571/2.9=2...(7) HG LEU 26 - HB3 LYS 85 lone 6 81 - 7 - Peak 2596 from cnoeabs.peaks (1.86, 1.86, 31.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 Peak 2597 from cnoeabs.peaks (1.32, 1.86, 31.43 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.0=100 HG LEU 79 - HB3 LYS 85 OK 17 72 - 23 - 2585/1.8=5, 2573/2.9=4...(10) Peak 2598 from cnoeabs.peaks (1.52, 1.86, 31.43 ppm; 3.18 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 93 + HB3 LYS 85 OK 61 94 - 64 - 2609/3.0=6, 3051/1.8=6...(40) HG3 LYS 76 + HB3 LYS 85 OK 59 94 - 62 - 2586/1.8=6, 2287=5...(35) HD2 LYS 76 - HB3 LYS 85 OK 42 81 - 51 - 1.8/2309=5, 2298=4...(28) HB2 LEU 29 - HB3 LYS 85 OK 24 99 - 24 - ~10042=4, 2586/1.8=2...(9) HB2 LYS 123 - HB3 LYS 85 OK 15 99 - 15 - 9465/10039=3, 2586/1.8=1...(5) HG3 PRO 57 - HB3 LYS 85 OK 15 100 - 14 - ~8861=2, 2586/1.8=1...(5) QB ALA 135 - HB3 LYS 85 OK 11 100 - 11 - 6962/3.9=2, 4.0/10321=1...(4) HB2 GLU 122 - HB3 LYS 85 lone 6 81 - 7 - Peak 2599 from cnoeabs.peaks (1.57, 1.86, 31.43 ppm; 3.09 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 85 + HB3 LYS 85 OK 97 100 - 97 - 3.6=65, 2630/3.0=14...(62) HD3 LYS 85 + HB3 LYS 85 OK 89 92 - 97 - 3.6=65, 2641/3.0=12...(61) HG2 ARG 109 + HB3 LYS 85 OK 47 99 - 48 - 2587/1.8=5, ~3561=4...(30) HG3 ARG 109 - HB3 LYS 85 OK 36 77 - 47 - 3561/1.8=5, 2611/3.0=3...(32) HG3 ARG 145 - HB3 LYS 85 OK 22 100 - 21 - 2587/1.8=2, 2610/3.0=1...(8) HG2 ARG 145 - HB3 LYS 85 OK 22 100 - 21 - 2587/1.8=2, 2610/3.0=1...(8) HB2 LEU 126 - HB3 LYS 85 OK 21 100 - 21 - 3.0/4269=2, 2587/1.8=2...(12) HB2 LEU 66 - HB3 LYS 85 lone 5 99 - 5 - HG3 ARG 124 - HB3 LYS 85 lone 2 85 - 3 - Peak 2600 from cnoeabs.peaks (1.57, 1.86, 31.43 ppm; 3.09 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 85 + HB3 LYS 85 OK 97 100 - 97 - 3.6=65, 2641/3.0=14...(61) HD2 LYS 85 + HB3 LYS 85 OK 89 92 - 97 - 3.6=65, 2630/3.0=12...(62) HG3 ARG 109 + HB3 LYS 85 OK 49 99 - 50 - 3561/1.8=8, 2611/3.0=4...(32) HG2 ARG 109 - HB3 LYS 85 OK 36 77 - 47 - ~3561=4, 2587/1.8=4...(30) HG2 ARG 145 - HB3 LYS 85 OK 20 96 - 21 - 2588/1.8=2, ~2587=1...(8) HB2 LEU 126 - HB3 LYS 85 OK 20 96 - 21 - 3.0/4269=2, 3.0/4293=2...(12) HG3 ARG 145 - HB3 LYS 85 OK 19 92 - 21 - 2587/1.8=2, ~2587=1...(8) HB2 LEU 66 - HB3 LYS 85 lone 5 99 - 5 - HG3 ARG 124 - HB3 LYS 85 lone 3 100 - 3 - Peak 2601 from cnoeabs.peaks (2.95, 1.86, 31.43 ppm; 4.33 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 4.8=72, ~2573=13...(79) HE3 LYS 85 + HB3 LYS 85 OK 97 98 - 100 - 4.8=72, ~2573=13...(79) HE2 LYS 93 + HB3 LYS 85 OK 84 100 - 84 - 2652/3.0=7, 3.8/2598=6...(56) HE3 LYS 93 + HB3 LYS 85 OK 75 89 - 84 - 3.8/2598=6, 2663/3.0=6...(58) HE2 LYS 48 + HB3 LYS 85 OK 74 100 - 74 - 2652/3.0=5, 2623/3.0=5...(55) HE3 LYS 48 + HB3 LYS 85 OK 71 100 - 72 - 2652/3.0=5, 2623/3.0=5...(49) HB2 PHE 106 - HB3 LYS 85 lone 7 100 - 7 - ~3429=2 HE3 LYS 61 - HB3 LYS 85 lone 6 68 - 8 - 8336/10039=2 HE2 LYS 61 - HB3 LYS 85 lone 5 68 - 8 - 8336/10039=1 HB2 TYR 115 - HB3 LYS 85 lone 5 100 - 4 - HB3 PHE 67 - HB3 LYS 85 lone 4 100 - 4 - HB3 ASN 130 - HB3 LYS 85 lone 1 72 - 2 - Peak 2602 from cnoeabs.peaks (2.94, 1.86, 31.43 ppm; 4.33 A): 6 out of 12 assignments used, quality = 1.00: * HE3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 4.8=72, ~2573=13...(79) HE2 LYS 85 + HB3 LYS 85 OK 97 98 - 100 - 4.8=72, ~2573=13...(79) HE3 LYS 93 + HB3 LYS 85 OK 83 99 - 84 - 2663/3.0=6, 3.8/2598=6...(58) HE2 LYS 93 + HB3 LYS 85 OK 81 96 - 84 - 2652/3.0=6, 3.8/2598=6...(56) HE3 LYS 48 + HB3 LYS 85 OK 71 100 - 71 - 2652/3.0=5, 2624/3.0=5...(49) HE2 LYS 48 + HB3 LYS 85 OK 70 94 - 74 - 2652/3.0=5, 2623/3.0=5...(55) HE3 LYS 61 - HB3 LYS 85 lone 8 89 - 9 - 8336/10039=2 HE2 LYS 61 - HB3 LYS 85 lone 8 89 - 9 - 8336/10039=2 HB2 PHE 106 - HB3 LYS 85 lone 6 92 - 7 - ~3429=2 HB2 TYR 115 - HB3 LYS 85 lone 4 94 - 4 - HB3 PHE 67 - HB3 LYS 85 lone 3 92 - 3 - HB3 ASN 130 - HB3 LYS 85 lone 1 92 - 2 - Peak 2604 from cnoeabs.peaks (8.56, 1.32, 25.93 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.94: * H LYS 85 + HG2 LYS 85 OK 94 100 - 94 - 6961=44, 3.0/2573=27...(30) H LEU 72 - HG2 LYS 85 OK 30 94 - 31 - 2615/1.8=7, 2593/3.0=6...(9) H ASP 40 - HG2 LYS 85 OK 17 77 - 21 - 2615/1.8=4, 2581/3.0=3...(8) Peak 2605 from cnoeabs.peaks (4.22, 1.32, 25.93 ppm; 3.25 A): 2 out of 8 assignments used, quality = 0.96: * HA LYS 85 + HG2 LYS 85 OK 92 100 - 92 - 4.0=53, 3.0/6961=23...(38) HA LYS 93 + HG2 LYS 85 OK 55 96 - 57 - 2616/1.8=9, 2594/3.0=6...(32) HA THR 102 - HG2 LYS 85 OK 21 89 - 23 - 2616/1.8=3, 2594/3.0=3...(9) HB THR 102 - HG2 LYS 85 OK 18 89 - 20 - 2616/1.8=4, 2582/3.0=3...(7) HA ILE 101 - HG2 LYS 85 poor 9 81 - 11 - 4.1/10177=4, 1020/3.0=1 HA PHE 45 - HG2 LYS 85 lone 8 96 - 8 - 1020/3.0=2, 2616/1.8=1 HA ALA 134 - HG2 LYS 85 lone 4 68 - 6 - ~10321=1 HA ARG 141 - HG2 LYS 85 lone 4 68 - 5 - 2616/1.8=1 Peak 2606 from cnoeabs.peaks (1.70, 1.32, 25.93 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.0=100 HB ILE 58 - HG2 LYS 85 OK 40 100 - 40 - 8271=7, 2.1/10416=7...(14) HD2 LYS 86 - HG2 LYS 85 OK 32 100 - 32 - 6.3/6973=6, 2617/1.8=6...(12) HB3 LEU 95 - HG2 LYS 85 OK 18 100 - 18 - 2617/1.8=4, 2595/3.0=2...(8) HG LEU 26 - HG2 LYS 85 lone 8 81 - 10 - ~10961=2, 2617/1.8=1 Peak 2607 from cnoeabs.peaks (1.86, 1.32, 25.93 ppm; 3.36 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HG2 LYS 85 OK 66 99 - 67 - 2597=8, 2618/1.8=7...(40) HB2 LYS 48 + HG2 LYS 85 OK 53 94 - 56 - 2618/1.8=6, 2584/3.0=4...(20) HB3 LYS 48 - HG2 LYS 85 OK 39 72 - 54 - 2618/1.8=4, ~2618=4...(17) HG LEU 69 - HG2 LYS 85 OK 15 100 - 15 - 2618/1.8=2, 2584/3.0=2...(5) HB2 LYS 36 - HG2 LYS 85 OK 15 81 - 18 - 2618/1.8=2, 2584/3.0=1...(4) HB3 GLU 28 - HG2 LYS 85 OK 14 98 - 14 - 2618/1.8=2, 2584/3.0=1...(4) HB2 ARG 144 - HG2 LYS 85 OK 12 85 - 14 - 1.8/2606=1, 2584/3.0=1 Peak 2608 from cnoeabs.peaks (1.32, 1.32, 25.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 Peak 2609 from cnoeabs.peaks (1.52, 1.32, 25.93 ppm; 2.50 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 1.8=100 HG2 LYS 93 + HG2 LYS 85 OK 49 94 - 52 - 4.0/2605=3, 2598/3.0=3...(22) HG3 LYS 76 - HG2 LYS 85 OK 38 94 - 40 - 3.0/2607=3, 2598/3.0=3...(17) HD2 LYS 76 - HG2 LYS 85 OK 24 81 - 30 - 3.5/2607=2, 2598/3.0=2...(11) HB2 LEU 29 - HG2 LYS 85 OK 17 99 - 18 - 3.0/10042=4, ~10043=1...(4) HB2 LYS 123 - HG2 LYS 85 lone 9 99 - 9 - 9465/10040=2 HG3 PRO 57 - HG2 LYS 85 lone 8 100 - 8 - QB ALA 135 - HG2 LYS 85 lone 6 100 - 6 - HB2 GLU 122 - HG2 LYS 85 lone 4 81 - 5 - Peak 2610 from cnoeabs.peaks (1.57, 1.32, 25.93 ppm; 2.69 A): 2 out of 9 assignments used, quality = 0.99: * HD2 LYS 85 + HG2 LYS 85 OK 96 100 - 96 - 3.0=76, 1.8/2641=16...(41) HD3 LYS 85 + HG2 LYS 85 OK 88 92 - 95 - 3.0=76, 1.8/2630=16...(38) HG2 ARG 109 - HG2 LYS 85 OK 41 99 - 42 - 2621/1.8=4, 2.8/2606=3...(15) HG3 ARG 109 - HG2 LYS 85 OK 31 77 - 40 - 2622/1.8=4, 3561/3.0=3...(17) HB2 LEU 126 - HG2 LYS 85 OK 18 100 - 18 - 1.8/2607=2, 2621/1.8=2...(5) HG3 ARG 145 - HG2 LYS 85 OK 16 100 - 16 - 2621/1.8=2, 2587/3.0=1 HG2 ARG 145 - HG2 LYS 85 OK 16 100 - 16 - 2621/1.8=2, 2587/3.0=1 HB2 LEU 66 - HG2 LYS 85 lone 7 99 - 7 - HG3 ARG 124 - HG2 LYS 85 lone 2 85 - 3 - Peak 2611 from cnoeabs.peaks (1.57, 1.32, 25.93 ppm; 2.69 A): 2 out of 9 assignments used, quality = 0.99: * HD3 LYS 85 + HG2 LYS 85 OK 96 100 - 96 - 3.0=76, 1.8/2630=16...(38) HD2 LYS 85 + HG2 LYS 85 OK 88 92 - 96 - 3.0=76, 1.8/2641=16...(39) HG3 ARG 109 - HG2 LYS 85 OK 42 99 - 43 - 2622/1.8=4, 3561/3.0=4...(17) HG2 ARG 109 - HG2 LYS 85 OK 31 77 - 40 - 2621/1.8=4, 2.8/2606=3...(15) HB2 LEU 126 - HG2 LYS 85 OK 17 96 - 18 - 1.8/2607=2, 2622/1.8=2...(5) HG2 ARG 145 - HG2 LYS 85 OK 15 96 - 15 - 2621/1.8=2, 2588/3.0=1 HG3 ARG 145 - HG2 LYS 85 OK 14 92 - 15 - 2621/1.8=2, 2587/3.0=1 HB2 LEU 66 - HG2 LYS 85 lone 7 99 - 7 - HG3 ARG 124 - HG2 LYS 85 lone 3 100 - 3 - Peak 2612 from cnoeabs.peaks (2.95, 1.32, 25.93 ppm; 3.50 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.5=100 HE3 LYS 85 + HG2 LYS 85 OK 98 98 - 100 - 3.5=100 HE2 LYS 93 + HG2 LYS 85 OK 78 100 - 78 - 2652=8, 1.8/2663=7...(53) HE3 LYS 93 + HG2 LYS 85 OK 70 89 - 79 - 2663=7, 1.8/2652=7...(54) HE2 LYS 48 + HG2 LYS 85 OK 65 100 - 65 - 2652=6, 1.8/2652=5...(31) HE3 LYS 48 + HG2 LYS 85 OK 63 100 - 63 - 2652=6, 1.8/2652=5...(31) HB2 PHE 106 - HG2 LYS 85 lone 9 100 - 9 - ~3429=1 HB3 PHE 67 - HG2 LYS 85 lone 6 100 - 6 - HB2 TYR 115 - HG2 LYS 85 lone 5 100 - 5 - HE3 LYS 61 - HG2 LYS 85 lone 4 68 - 6 - 8336/10040=1 HE2 LYS 61 - HG2 LYS 85 lone 4 68 - 6 - 8336/10040=1 HB3 ASN 130 - HG2 LYS 85 lone 2 72 - 2 - Peak 2613 from cnoeabs.peaks (2.94, 1.32, 25.93 ppm; 3.50 A): 6 out of 12 assignments used, quality = 1.00: * HE3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.5=100 HE2 LYS 85 + HG2 LYS 85 OK 98 98 - 100 - 3.5=100 HE3 LYS 93 + HG2 LYS 85 OK 78 99 - 79 - 2663=7, 1.8/2652=7...(54) HE2 LYS 93 + HG2 LYS 85 OK 75 96 - 77 - 2652=8, 1.8/2663=7...(53) HE3 LYS 48 + HG2 LYS 85 OK 63 100 - 63 - 2652=6, 1.8/2652=5...(31) HE2 LYS 48 + HG2 LYS 85 OK 61 94 - 64 - 2652=6, 1.8/2652=5...(31) HB2 PHE 106 - HG2 LYS 85 lone 9 92 - 9 - ~3429=1 HE3 LYS 61 - HG2 LYS 85 lone 6 89 - 7 - 8336/10040=2 HE2 LYS 61 - HG2 LYS 85 lone 6 89 - 7 - 8336/10040=2 HB3 PHE 67 - HG2 LYS 85 lone 5 92 - 6 - HB2 TYR 115 - HG2 LYS 85 lone 5 94 - 5 - HB3 ASN 130 - HG2 LYS 85 lone 2 92 - 2 - Peak 2615 from cnoeabs.peaks (8.56, 1.52, 25.93 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.96: * H LYS 85 + HG3 LYS 85 OK 96 100 - 96 - 6961/1.8=39, 5.1=39...(32) H LEU 72 - HG3 LYS 85 OK 32 94 - 34 - 2604/1.8=8, 2593/3.0=7...(9) H ASP 40 - HG3 LYS 85 OK 19 77 - 24 - 2604/1.8=5, 2581/3.0=4...(8) Peak 2616 from cnoeabs.peaks (4.22, 1.52, 25.93 ppm; 3.51 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 85 + HG3 LYS 85 OK 97 100 - 97 - 4.0=67, 2573/1.8=36...(40) HA LYS 93 + HG3 LYS 85 OK 65 96 - 68 - 2605/1.8=11, 3014=9...(33) HA THR 102 - HG3 LYS 85 OK 24 89 - 27 - 2605/1.8=4, 2594/3.0=3...(12) HB THR 102 - HG3 LYS 85 OK 21 89 - 24 - 2605/1.8=4, 2582/3.0=3...(9) HA PHE 45 - HG3 LYS 85 lone 9 96 - 9 - 1020/3.0=2, 2605/1.8=1 HA ILE 101 - HG3 LYS 85 lone 8 81 - 9 - 2605/1.8=2, 1020/3.0=1 HA ALA 134 - HG3 LYS 85 lone 6 68 - 9 - ~10321=1 HA ARG 141 - HG3 LYS 85 lone 4 68 - 6 - 2605/1.8=1 Peak 2617 from cnoeabs.peaks (1.70, 1.52, 25.93 ppm; 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.0=100 HB ILE 58 - HG3 LYS 85 OK 32 100 - 32 - 2606/1.8=6, ~10416=5...(11) HD2 LYS 86 - HG3 LYS 85 OK 29 100 - 29 - 2606/1.8=5, 2595/3.0=5...(12) HB3 LEU 95 - HG3 LYS 85 OK 18 100 - 18 - 2606/1.8=3, 2595/3.0=2...(5) HG LEU 26 - HG3 LYS 85 lone 7 81 - 8 - ~10961=2, 2606/1.8=1 Peak 2618 from cnoeabs.peaks (1.86, 1.52, 25.93 ppm; 3.46 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HG3 LYS 85 OK 66 99 - 67 - 2607/1.8=8, 1.8/2255=6...(36) HB2 LYS 48 + HG3 LYS 85 OK 56 94 - 60 - 2607/1.8=6, 2584/3.0=4...(22) HB3 LYS 48 - HG3 LYS 85 OK 42 72 - 58 - 2607/1.8=5, ~2607=4...(22) HG LEU 69 - HG3 LYS 85 OK 18 100 - 18 - 2584/3.0=2, 2607/1.8=2...(6) HB3 GLU 28 - HG3 LYS 85 OK 17 98 - 17 - 2607/1.8=2, 2584/3.0=1...(6) HB2 LYS 36 - HG3 LYS 85 OK 17 81 - 20 - 2607/1.8=2, 2584/3.0=1...(4) HB2 ARG 144 - HG3 LYS 85 OK 13 85 - 15 - 1.8/2617=2, 2584/3.0=1...(4) Peak 2619 from cnoeabs.peaks (1.32, 1.52, 25.93 ppm; 2.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 1.8=100 HG LEU 79 - HG3 LYS 85 poor 9 72 - 13 - 2585/3.0=2, 2597/3.0=2 Peak 2620 from cnoeabs.peaks (1.52, 1.52, 25.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 Peak 2621 from cnoeabs.peaks (1.57, 1.52, 25.93 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.98: * HD2 LYS 85 + HG3 LYS 85 OK 89 100 - 89 - 3.0=61, 2630/1.8=13...(38) HD3 LYS 85 + HG3 LYS 85 OK 82 92 - 89 - 3.0=61, 2641/1.8=12...(36) HG2 ARG 109 - HG3 LYS 85 OK 33 99 - 34 - 2610/1.8=4, 2.8/2617=2...(15) HG3 ARG 109 - HG3 LYS 85 OK 25 77 - 33 - 2611/1.8=3, 3561/3.0=2...(13) HB2 LEU 126 - HG3 LYS 85 OK 15 100 - 15 - 2610/1.8=2, 1.8/2618=2, ~2607=1 HG3 ARG 145 - HG3 LYS 85 OK 13 100 - 13 - 2610/1.8=1, 2587/3.0=1 HG2 ARG 145 - HG3 LYS 85 OK 13 100 - 13 - 2610/1.8=1, 2587/3.0=1 HB2 LEU 66 - HG3 LYS 85 lone 5 99 - 5 - HG3 ARG 124 - HG3 LYS 85 lone 2 85 - 2 - Peak 2622 from cnoeabs.peaks (1.57, 1.52, 25.93 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.98: * HD3 LYS 85 + HG3 LYS 85 OK 89 100 - 89 - 3.0=61, 2641/1.8=14...(36) HD2 LYS 85 + HG3 LYS 85 OK 82 92 - 89 - 3.0=61, 2630/1.8=12...(37) HG3 ARG 109 - HG3 LYS 85 OK 34 99 - 34 - 2611/1.8=4, 3561/3.0=3...(13) HG2 ARG 109 - HG3 LYS 85 OK 25 77 - 33 - 2610/1.8=3, 2.8/2617=2...(15) HB2 LEU 126 - HG3 LYS 85 OK 14 96 - 15 - 1.8/2618=2, 2611/1.8=2, ~2607=1 HG2 ARG 145 - HG3 LYS 85 OK 12 96 - 13 - 2610/1.8=1, 2588/3.0=1 HG3 ARG 145 - HG3 LYS 85 OK 12 92 - 12 - 2610/1.8=1 HB2 LEU 66 - HG3 LYS 85 lone 5 99 - 5 - HG3 ARG 124 - HG3 LYS 85 lone 3 100 - 2 - Peak 2623 from cnoeabs.peaks (2.95, 1.52, 25.93 ppm; 3.56 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.5=100 HE3 LYS 85 + HG3 LYS 85 OK 98 98 - 100 - 3.5=100 HE2 LYS 93 + HG3 LYS 85 OK 78 100 - 78 - 2652/1.8=7, 3.0/2617=6...(52) HE3 LYS 93 + HG3 LYS 85 OK 71 89 - 80 - 2663/1.8=6, 3.0/2617=6...(54) HE2 LYS 48 + HG3 LYS 85 OK 66 100 - 66 - 2652/1.8=5, ~2652=3...(34) HE3 LYS 48 + HG3 LYS 85 OK 65 100 - 65 - 2652/1.8=5, ~2652=3...(34) HB2 PHE 106 - HG3 LYS 85 OK 10 100 - 10 - ~3429=1 HB2 TYR 115 - HG3 LYS 85 lone 6 100 - 6 - HB3 PHE 67 - HG3 LYS 85 lone 6 100 - 6 - HE3 LYS 61 - HG3 LYS 85 lone 4 68 - 6 - 8336/10049=1 HE2 LYS 61 - HG3 LYS 85 lone 4 68 - 6 - HB3 ASN 130 - HG3 LYS 85 lone 2 72 - 3 - Peak 2624 from cnoeabs.peaks (2.94, 1.52, 25.93 ppm; 3.56 A): 6 out of 12 assignments used, quality = 1.00: * HE3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.5=100 HE2 LYS 85 + HG3 LYS 85 OK 98 98 - 100 - 3.5=100 HE3 LYS 93 + HG3 LYS 85 OK 79 99 - 80 - 2663/1.8=7, 3.0/2617=6...(54) HE2 LYS 93 + HG3 LYS 85 OK 75 96 - 78 - 2652/1.8=7, 3.0/2617=6...(52) HE3 LYS 48 + HG3 LYS 85 OK 64 100 - 65 - 2652/1.8=5, ~2652=3...(34) HE2 LYS 48 + HG3 LYS 85 OK 62 94 - 65 - 2652/1.8=5, ~2652=3...(34) HB2 PHE 106 - HG3 LYS 85 lone 9 92 - 10 - ~3429=1 HE3 LYS 61 - HG3 LYS 85 lone 6 89 - 7 - 8336/10049=2 HE2 LYS 61 - HG3 LYS 85 lone 6 89 - 7 - 8336/10049=1 HB2 TYR 115 - HG3 LYS 85 lone 6 94 - 6 - HB3 PHE 67 - HG3 LYS 85 lone 5 92 - 6 - HB3 ASN 130 - HG3 LYS 85 lone 3 92 - 3 - Peak 2626 from cnoeabs.peaks (8.56, 1.57, 28.74 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 85 + HD2 LYS 85 OK 97 100 - 97 - 5.7=35, 6961/3.0=33...(40) H LYS 85 + HD3 LYS 85 OK 71 73 - 96 - 5.7=35, 6961/3.0=33...(38) H LEU 72 - HD2 LYS 85 OK 29 94 - 31 - 2604/3.0=7, 2615/3.0=7...(6) H LEU 72 - HD3 LYS 85 OK 20 65 - 30 - 2604/3.0=7, 2615/3.0=7...(6) H ASP 40 - HD2 LYS 85 OK 18 77 - 23 - 2615/3.0=4, 2604/3.0=4...(8) H ASP 40 - HD3 LYS 85 OK 11 49 - 23 - 2615/3.0=4, 2604/3.0=4...(9) Peak 2627 from cnoeabs.peaks (4.22, 1.57, 28.74 ppm; 3.63 A): 3 out of 16 assignments used, quality = 0.99: * HA LYS 85 + HD2 LYS 85 OK 94 100 - 94 - 5.2=34, 2573/3.0=28...(43) HA LYS 85 + HD3 LYS 85 OK 69 73 - 94 - 5.2=34, 2573/3.0=28...(43) HA LYS 93 + HD2 LYS 85 OK 58 96 - 60 - 2605/3.0=9, 2616/3.0=8...(32) HA LYS 93 - HD3 LYS 85 OK 39 67 - 59 - 2605/3.0=9, 2616/3.0=8...(31) HA THR 102 - HD2 LYS 85 OK 18 89 - 20 - 2605/3.0=3, 2616/3.0=3...(7) HB THR 102 - HD2 LYS 85 OK 17 89 - 19 - 2605/3.0=4, 2616/3.0=3...(7) HA THR 102 - HD3 LYS 85 OK 12 59 - 20 - 2605/3.0=3, 2616/3.0=3...(7) HB THR 102 - HD3 LYS 85 OK 11 59 - 19 - 2605/3.0=4, 2616/3.0=3...(7) HA PHE 45 - HD2 LYS 85 lone 8 96 - 8 - 1020/3.6=2, 2582/3.6=1...(4) HA ILE 101 - HD2 LYS 85 lone 6 81 - 7 - 2605/3.0=1, 1020/3.6=1 HA PHE 45 - HD3 LYS 85 lone 5 67 - 7 - 1020/3.6=2, 2582/3.6=1...(4) HA ARG 141 - HD2 LYS 85 lone 4 68 - 5 - HA ILE 101 - HD3 LYS 85 lone 4 53 - 7 - 2605/3.0=1, 1020/3.6=1 HA ALA 134 - HD2 LYS 85 lone 3 68 - 5 - ~10324=1 HA ARG 141 - HD3 LYS 85 lone 2 42 - 5 - HA ALA 134 - HD3 LYS 85 lone 2 42 - 5 - ~10324=1 Peak 2628 from cnoeabs.peaks (1.70, 1.57, 28.74 ppm; 3.78 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 85 + HD2 LYS 85 OK 100 100 - 100 - 3.6=100 HB2 LYS 85 + HD3 LYS 85 OK 73 73 - 100 - 3.6=100 HB ILE 58 - HD2 LYS 85 OK 31 100 - 31 - 8271/3.0=8, 2617/3.0=6...(10) HD2 LYS 86 - HD2 LYS 85 OK 24 100 - 24 - 2595/3.6=6, 2606/3.0=5...(5) HB ILE 58 - HD3 LYS 85 OK 22 73 - 31 - 8271/3.0=8, 2617/3.0=6...(10) HD2 LYS 86 - HD3 LYS 85 OK 18 73 - 24 - 2595/3.6=6, 2606/3.0=5...(5) HB3 LEU 95 - HD2 LYS 85 OK 16 100 - 16 - 2617/3.0=3, 2606/3.0=3...(5) HG LEU 26 - HD2 LYS 85 OK 13 81 - 16 - 2.1/10961=7, ~10961=3...(4) HB3 LEU 95 - HD3 LYS 85 OK 11 72 - 16 - 2617/3.0=3, 2606/3.0=3...(5) HG LEU 26 - HD3 LYS 85 poor 8 53 - 16 - 2.1/10961=5, ~10961=4...(4) Peak 2629 from cnoeabs.peaks (1.86, 1.57, 28.74 ppm; 3.43 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 85 + HD2 LYS 85 OK 100 100 - 100 - 3.6=88, 3.0/2630=17...(66) HB3 LYS 85 + HD3 LYS 85 OK 73 73 - 99 - 3.6=88, 3.0/2630=12...(66) HB3 LYS 76 + HD2 LYS 85 OK 50 99 - 51 - 2607/3.0=6, 2618/3.0=5...(27) HB2 LYS 48 + HD2 LYS 85 OK 49 94 - 52 - 2607/3.0=5, 2618/3.0=5...(19) HB3 LYS 48 - HD2 LYS 85 OK 36 72 - 49 - 2607/3.0=3, 2618/3.0=3...(18) HB3 LYS 76 - HD3 LYS 85 OK 35 70 - 49 - 2607/3.0=6, 2618/3.0=5...(25) HB2 LYS 48 - HD3 LYS 85 OK 32 65 - 50 - 2607/3.0=5, 2618/3.0=5...(18) HB3 LYS 48 - HD3 LYS 85 OK 22 46 - 48 - 2607/3.0=3, 2618/3.0=3...(16) HB2 LYS 36 - HD2 LYS 85 OK 11 81 - 13 - ~677=2, 2618/3.0=1...(6) HB3 GLU 28 - HD2 LYS 85 lone 8 98 - 9 - 2618/3.0=1, 2607/3.0=1 HG LEU 69 - HD2 LYS 85 lone 8 100 - 8 - 2584/3.6=2, 2618/3.0=1 HB2 ARG 144 - HD2 LYS 85 lone 8 85 - 9 - 2584/3.6=1, 2607/3.0=1 HB2 LYS 36 - HD3 LYS 85 poor 6 53 - 12 - 2618/3.0=1, 2607/3.0=1 HB3 GLU 28 - HD3 LYS 85 lone 6 69 - 8 - 2618/3.0=1, 2607/3.0=1 HG LEU 69 - HD3 LYS 85 lone 6 73 - 8 - 2584/3.6=2, 2618/3.0=1 HB2 ARG 144 - HD3 LYS 85 lone 5 56 - 9 - 2584/3.6=1, 2607/3.0=1 Peak 2630 from cnoeabs.peaks (1.32, 1.57, 28.74 ppm; 2.87 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 85 + HD2 LYS 85 OK 99 100 - 99 - 3.0=92, 1.8/2621=12...(50) HG2 LYS 85 + HD3 LYS 85 OK 72 73 - 99 - 3.0=92, 1.8/2621=11...(49) HG LEU 79 - HD2 LYS 85 poor 9 72 - 12 - 2585/3.6=2, 2597/3.6=2...(4) HG LEU 79 - HD3 LYS 85 poor 5 46 - 11 - 2585/3.6=2, 2597/3.6=2...(4) Peak 2631 from cnoeabs.peaks (1.52, 1.57, 28.74 ppm; 2.50 A): 2 out of 18 assignments used, quality = 0.96: * HG3 LYS 85 + HD2 LYS 85 OK 89 100 - 89 - 3.0=61, 1.8/2630=13...(38) HG3 LYS 85 + HD3 LYS 85 OK 65 73 - 88 - 3.0=61, 1.8/2630=10...(36) HG2 LYS 93 - HD2 LYS 85 OK 41 94 - 44 - 2609/3.0=4, 2598/3.6=2...(13) HG2 LYS 93 - HD3 LYS 85 OK 28 65 - 43 - 2609/3.0=4, 2598/3.6=2...(13) HG3 LYS 76 - HD2 LYS 85 OK 25 94 - 27 - 2609/3.0=3, 2598/3.6=2...(7) HG3 LYS 76 - HD3 LYS 85 OK 16 65 - 25 - 2609/3.0=3, 2598/3.6=2...(7) HD2 LYS 76 - HD2 LYS 85 OK 14 81 - 18 - 2609/3.0=2, 2598/3.6=1...(5) HB2 LEU 29 - HD2 LYS 85 OK 12 99 - 12 - ~10042=2, 2609/3.0=1 HD2 LYS 76 - HD3 LYS 85 poor 9 53 - 17 - 2609/3.0=2, 2598/3.6=1 HB2 LEU 29 - HD3 LYS 85 poor 9 70 - 12 - ~10042=2, 2609/3.0=1 HB2 LYS 123 - HD2 LYS 85 lone 6 99 - 6 - 9465/10051=2 HG3 PRO 57 - HD2 LYS 85 lone 6 100 - 6 - HG3 PRO 57 - HD3 LYS 85 lone 4 73 - 5 - HB2 LYS 123 - HD3 LYS 85 lone 4 70 - 5 - 9465/10051=1 QB ALA 135 - HD2 LYS 85 lone 4 100 - 4 - QB ALA 135 - HD3 LYS 85 lone 3 72 - 4 - HB2 GLU 122 - HD2 LYS 85 lone 2 81 - 3 - HB2 GLU 122 - HD3 LYS 85 lone 2 53 - 3 - Peak 2632 from cnoeabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 85 + HD2 LYS 85 OK 100 100 - 100 HD3 LYS 85 + HD3 LYS 85 OK 62 62 - 100 Peak 2633 from cnoeabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HD2 LYS 85 + HD2 LYS 85 OK 92 92 - 100 HD3 LYS 85 + HD3 LYS 85 OK 73 73 - 100 Reference assignment not found: HD3 LYS 85 - HD2 LYS 85 Peak 2634 from cnoeabs.peaks (2.95, 1.57, 28.74 ppm; 2.76 A): 5 out of 24 assignments used, quality = 1.00: * HE2 LYS 85 + HD2 LYS 85 OK 94 100 - 94 - 2.9=83, 3.5/2630=9...(38) HE3 LYS 85 + HD2 LYS 85 OK 91 98 - 93 - 2.9=83, 3.5/2630=9...(36) HE2 LYS 85 + HD3 LYS 85 OK 68 73 - 93 - 2.9=83, 3.5/2630=7...(37) HE3 LYS 85 + HD3 LYS 85 OK 64 69 - 93 - 2.9=83, 3.5/2630=7...(34) HE2 LYS 93 + HD2 LYS 85 OK 49 100 - 49 - 2652/3.0=3, 2654=3...(23) HE3 LYS 93 - HD2 LYS 85 OK 44 89 - 50 - 2663/3.0=3, 2665=3...(26) HE2 LYS 48 - HD2 LYS 85 OK 36 100 - 36 - 2652/3.0=3, 2654=2...(19) HE2 LYS 93 - HD3 LYS 85 OK 35 73 - 48 - 2652/3.0=3, 2654=3...(24) HE3 LYS 48 - HD2 LYS 85 OK 34 100 - 35 - 2652/3.0=2, 2623/3.0=2...(17) HE3 LYS 93 - HD3 LYS 85 OK 29 59 - 49 - 2663/3.0=3, 2665=2...(26) HE2 LYS 48 - HD3 LYS 85 OK 25 73 - 35 - 2652/3.0=3, 2623/3.0=2...(19) HE3 LYS 48 - HD3 LYS 85 OK 24 73 - 34 - 2652/3.0=2, 2623/3.0=2...(17) HB2 PHE 106 - HD2 LYS 85 lone 6 100 - 6 - HB2 PHE 106 - HD3 LYS 85 lone 4 72 - 6 - HB3 PHE 67 - HD2 LYS 85 lone 4 100 - 4 - HB2 TYR 115 - HD2 LYS 85 lone 4 100 - 3 - HB3 PHE 67 - HD3 LYS 85 lone 3 72 - 4 - HB2 TYR 115 - HD3 LYS 85 lone 2 73 - 3 - HE3 LYS 61 - HD2 LYS 85 lone 2 68 - 2 - HE2 LYS 61 - HD2 LYS 85 lone 2 68 - 2 - HB3 ASN 130 - HD2 LYS 85 lone 1 72 - 1 - HE3 LYS 61 - HD3 LYS 85 lone 1 42 - 2 - HE2 LYS 61 - HD3 LYS 85 lone 1 42 - 2 - HB3 ASN 130 - HD3 LYS 85 lone 1 46 - 1 - Peak 2635 from cnoeabs.peaks (2.94, 1.57, 28.74 ppm; 2.76 A): 6 out of 24 assignments used, quality = 1.00: * HE3 LYS 85 + HD2 LYS 85 OK 93 100 - 93 - 2.9=83, 3.5/2630=9...(36) HE2 LYS 85 + HD2 LYS 85 OK 91 98 - 93 - 2.9=83, 3.5/2630=9...(39) HE3 LYS 85 + HD3 LYS 85 OK 68 73 - 93 - 2.9=83, 3.5/2630=7...(34) HE2 LYS 85 + HD3 LYS 85 OK 64 69 - 93 - 2.9=83, 3.5/2630=7...(37) HE3 LYS 93 + HD2 LYS 85 OK 49 99 - 50 - 2663/3.0=3, 2665=3...(26) HE2 LYS 93 + HD2 LYS 85 OK 47 96 - 49 - 2652/3.0=3, 2654=3...(23) HE3 LYS 93 - HD3 LYS 85 OK 34 70 - 49 - 2663/3.0=3, 2665=3...(26) HE3 LYS 48 - HD2 LYS 85 OK 34 100 - 34 - 2663/3.0=2, 2624/3.0=2...(17) HE2 LYS 48 - HD2 LYS 85 OK 33 94 - 35 - 2652/3.0=2, 2654=2...(19) HE2 LYS 93 - HD3 LYS 85 OK 32 67 - 48 - 2652/3.0=3, 2654=3...(24) HE3 LYS 48 - HD3 LYS 85 OK 24 72 - 34 - 2663/3.0=2, 2624/3.0=2...(17) HE2 LYS 48 - HD3 LYS 85 OK 22 65 - 35 - 2652/3.0=2, 2623/3.0=2...(19) HB2 PHE 106 - HD2 LYS 85 lone 5 92 - 5 - HB3 PHE 67 - HD2 LYS 85 lone 3 92 - 4 - HB2 PHE 106 - HD3 LYS 85 lone 3 62 - 5 - HB2 TYR 115 - HD2 LYS 85 lone 3 94 - 3 - HE3 LYS 61 - HD2 LYS 85 lone 2 89 - 3 - HE2 LYS 61 - HD2 LYS 85 lone 2 89 - 3 - HB3 PHE 67 - HD3 LYS 85 lone 2 62 - 4 - HB2 TYR 115 - HD3 LYS 85 lone 2 65 - 3 - HE3 LYS 61 - HD3 LYS 85 lone 1 59 - 2 - HE2 LYS 61 - HD3 LYS 85 lone 1 59 - 2 - HB3 ASN 130 - HD2 LYS 85 lone 1 92 - 1 - HB3 ASN 130 - HD3 LYS 85 lone 1 62 - 1 - Peak 2637 from cnoeabs.peaks (8.56, 1.57, 28.74 ppm; 4.00 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 85 + HD3 LYS 85 OK 96 100 - 96 - 5.7=35, 6961/3.0=33...(40) H LYS 85 + HD2 LYS 85 OK 71 73 - 96 - 5.7=35, 6961/3.0=33...(37) H LEU 72 - HD3 LYS 85 OK 28 94 - 30 - 2604/3.0=7, 2615/3.0=7...(5) H LEU 72 - HD2 LYS 85 OK 19 65 - 30 - 2604/3.0=7, 2615/3.0=7...(5) H ASP 40 - HD3 LYS 85 OK 17 77 - 22 - 2615/3.0=4, 2604/3.0=4...(8) H ASP 40 - HD2 LYS 85 OK 11 49 - 21 - 2615/3.0=4, 2604/3.0=4...(7) Peak 2638 from cnoeabs.peaks (4.22, 1.57, 28.74 ppm; 3.67 A): 3 out of 16 assignments used, quality = 0.99: * HA LYS 85 + HD3 LYS 85 OK 95 100 - 95 - 5.2=35, 2573/3.0=29...(42) HA LYS 85 + HD2 LYS 85 OK 69 73 - 94 - 5.2=35, 2573/3.0=29...(42) HA LYS 93 + HD3 LYS 85 OK 58 96 - 60 - 2605/3.0=9, 2616/3.0=9...(30) HA LYS 93 - HD2 LYS 85 OK 40 67 - 59 - 2605/3.0=9, 2616/3.0=9...(32) HA THR 102 - HD3 LYS 85 OK 18 89 - 21 - 2605/3.0=3, 2616/3.0=3...(7) HB THR 102 - HD3 LYS 85 OK 17 89 - 20 - 2605/3.0=4, 2616/3.0=3...(8) HA THR 102 - HD2 LYS 85 OK 12 59 - 21 - 2605/3.0=3, 2616/3.0=3...(7) HB THR 102 - HD2 LYS 85 OK 12 59 - 20 - 2605/3.0=4, 2616/3.0=3...(8) HA PHE 45 - HD3 LYS 85 lone 7 96 - 8 - 1020/3.6=2, 2582/3.6=1...(4) HA ILE 101 - HD3 LYS 85 lone 6 81 - 7 - 2605/3.0=1, 1020/3.6=1 HA PHE 45 - HD2 LYS 85 lone 5 67 - 8 - 1020/3.6=2, 2582/3.6=1...(4) HA ARG 141 - HD3 LYS 85 lone 4 68 - 5 - 2616/3.0=1 HA ILE 101 - HD2 LYS 85 lone 4 53 - 7 - 2605/3.0=1, 1020/3.6=1 HA ALA 134 - HD3 LYS 85 lone 3 68 - 5 - ~10324=1 HA ARG 141 - HD2 LYS 85 lone 2 42 - 5 - 2616/3.0=1 HA ALA 134 - HD2 LYS 85 lone 2 42 - 5 - ~10324=1 Peak 2639 from cnoeabs.peaks (1.70, 1.57, 28.74 ppm; 3.28 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 85 + HD3 LYS 85 OK 99 100 - 99 - 3.6=78, 3.0/2641=16...(63) HB2 LYS 85 + HD2 LYS 85 OK 72 73 - 99 - 3.6=78, 3.0/2641=12...(63) HB ILE 58 - HD3 LYS 85 OK 23 100 - 23 - 8271/3.0=6, 2617/3.0=5...(8) HD2 LYS 86 - HD3 LYS 85 OK 19 100 - 19 - 2595/3.6=4, 2617/3.0=4...(5) HB ILE 58 - HD2 LYS 85 OK 17 73 - 24 - 8271/3.0=6, 2617/3.0=5...(8) HD2 LYS 86 - HD2 LYS 85 OK 14 73 - 19 - 2595/3.6=4, 2617/3.0=4...(5) HB3 LEU 95 - HD3 LYS 85 OK 12 100 - 12 - 2617/3.0=3, 2606/3.0=2...(4) HG LEU 26 - HD3 LYS 85 poor 9 81 - 11 - ~10961=3, 2.1/10961=3...(4) HB3 LEU 95 - HD2 LYS 85 poor 9 72 - 12 - 2617/3.0=3, 2606/3.0=2...(4) HG LEU 26 - HD2 LYS 85 poor 6 53 - 11 - 2.1/10961=4, ~10961=3...(4) Peak 2640 from cnoeabs.peaks (1.86, 1.57, 28.74 ppm; 3.24 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 85 + HD3 LYS 85 OK 98 100 - 98 - 3.6=75, 3.0/2641=16...(61) HB3 LYS 85 + HD2 LYS 85 OK 72 73 - 98 - 3.6=75, 3.0/2641=11...(61) HB2 LYS 48 - HD3 LYS 85 OK 45 94 - 47 - 2607/3.0=4, 2618/3.0=4...(19) HB3 LYS 76 - HD3 LYS 85 OK 45 99 - 45 - 2607/3.0=5, 2618/3.0=5...(21) HB3 LYS 48 - HD3 LYS 85 OK 33 72 - 45 - 2607/3.0=3, 2618/3.0=3...(18) HB3 LYS 76 - HD2 LYS 85 OK 32 70 - 45 - 2607/3.0=5, 2618/3.0=5...(22) HB2 LYS 48 - HD2 LYS 85 OK 30 65 - 47 - 2607/3.0=4, 2618/3.0=4...(19) HB3 LYS 48 - HD2 LYS 85 OK 20 46 - 44 - 2607/3.0=3, 2618/3.0=3...(18) HB2 LYS 36 - HD3 LYS 85 OK 12 81 - 14 - 1.8/677=2, 3.0/688=1...(6) HB3 GLU 28 - HD3 LYS 85 lone 7 98 - 7 - 2618/3.0=1, 2607/3.0=1 HB2 ARG 144 - HD3 LYS 85 lone 7 85 - 8 - 2584/3.6=1 HG LEU 69 - HD3 LYS 85 lone 7 100 - 7 - 2584/3.6=1, 2618/3.0=1 HB2 LYS 36 - HD2 LYS 85 poor 6 53 - 12 - ~677=2, 2607/3.0=1...(4) HB3 GLU 28 - HD2 LYS 85 lone 5 69 - 7 - 2618/3.0=1, 2607/3.0=1 HG LEU 69 - HD2 LYS 85 lone 5 73 - 7 - 2584/3.6=1, 2618/3.0=1 HB2 ARG 144 - HD2 LYS 85 lone 4 56 - 8 - 2584/3.6=1 Peak 2641 from cnoeabs.peaks (1.32, 1.57, 28.74 ppm; 2.82 A): 2 out of 4 assignments used, quality = 0.99: * HG2 LYS 85 + HD3 LYS 85 OK 98 100 - 98 - 3.0=87, 1.8/2622=12...(44) HG2 LYS 85 + HD2 LYS 85 OK 72 73 - 98 - 3.0=87, 1.8/2622=11...(44) HG LEU 79 - HD3 LYS 85 poor 8 72 - 10 - 2585/3.6=2, 2597/3.6=2 HG LEU 79 - HD2 LYS 85 poor 5 46 - 11 - 2585/3.6=2, 2597/3.6=2 Peak 2642 from cnoeabs.peaks (1.52, 1.57, 28.74 ppm; 2.50 A): 2 out of 18 assignments used, quality = 0.96: * HG3 LYS 85 + HD3 LYS 85 OK 89 100 - 89 - 3.0=61, 1.8/2641=14...(36) HG3 LYS 85 + HD2 LYS 85 OK 65 73 - 89 - 3.0=61, 1.8/2641=10...(37) HG2 LYS 93 - HD3 LYS 85 OK 41 94 - 44 - 2609/3.0=4, 2598/3.6=2...(13) HG2 LYS 93 - HD2 LYS 85 OK 28 65 - 43 - 2609/3.0=4, 2598/3.6=2...(13) HG3 LYS 76 - HD3 LYS 85 OK 24 94 - 25 - 2609/3.0=3, 2598/3.6=2...(6) HG3 LYS 76 - HD2 LYS 85 OK 16 65 - 25 - 2609/3.0=3, 2598/3.6=2...(7) HD2 LYS 76 - HD3 LYS 85 OK 13 81 - 16 - 2609/3.0=2, 2598/3.6=1...(4) HB2 LEU 29 - HD3 LYS 85 OK 12 99 - 12 - ~10042=2, 2609/3.0=1 HD2 LYS 76 - HD2 LYS 85 poor 9 53 - 16 - 2609/3.0=2, 2598/3.6=1 HB2 LEU 29 - HD2 LYS 85 poor 8 70 - 12 - ~10042=2, 2609/3.0=1 HG3 PRO 57 - HD3 LYS 85 lone 6 100 - 5 - HB2 LYS 123 - HD3 LYS 85 lone 5 99 - 5 - HG3 PRO 57 - HD2 LYS 85 lone 4 73 - 5 - HB2 LYS 123 - HD2 LYS 85 lone 4 70 - 5 - 9465/10051=1 QB ALA 135 - HD3 LYS 85 lone 4 100 - 4 - QB ALA 135 - HD2 LYS 85 lone 3 72 - 4 - HB2 GLU 122 - HD3 LYS 85 lone 2 81 - 3 - HB2 GLU 122 - HD2 LYS 85 lone 2 53 - 3 - Peak 2643 from cnoeabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HD3 LYS 85 + HD3 LYS 85 OK 92 92 - 100 HD2 LYS 85 + HD2 LYS 85 OK 73 73 - 100 Reference assignment not found: HD2 LYS 85 - HD3 LYS 85 Peak 2644 from cnoeabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 85 + HD3 LYS 85 OK 100 100 - 100 HD2 LYS 85 + HD2 LYS 85 OK 62 62 - 100 Peak 2645 from cnoeabs.peaks (2.95, 1.57, 28.74 ppm; 2.62 A): 4 out of 24 assignments used, quality = 1.00: * HE2 LYS 85 + HD3 LYS 85 OK 88 100 - 88 - 2.9=71, 3.5/2641=8...(34) HE3 LYS 85 + HD3 LYS 85 OK 86 98 - 87 - 2.9=71, 3.5/2641=8...(34) HE2 LYS 85 + HD2 LYS 85 OK 64 73 - 87 - 2.9=71, 3.5/2641=6...(34) HE3 LYS 85 + HD2 LYS 85 OK 60 69 - 87 - 2.9=71, 3.5/2641=6...(34) HE2 LYS 93 - HD3 LYS 85 OK 45 100 - 45 - 2655=3, 2652/3.0=3...(19) HE3 LYS 93 - HD3 LYS 85 OK 40 89 - 46 - 2663/3.0=3, 2666=3...(21) HE2 LYS 48 - HD3 LYS 85 OK 32 100 - 32 - 2652/3.0=2, 2655=2...(8) HE2 LYS 93 - HD2 LYS 85 OK 32 73 - 44 - 2652/3.0=3, 2655=3...(19) HE3 LYS 48 - HD3 LYS 85 OK 31 100 - 31 - 2652/3.0=2, 2655=2...(9) HE3 LYS 93 - HD2 LYS 85 OK 26 59 - 44 - 2663/3.0=3, 2665=2...(21) HE2 LYS 48 - HD2 LYS 85 OK 23 73 - 32 - 2652/3.0=2, 2623/3.0=2...(8) HE3 LYS 48 - HD2 LYS 85 OK 22 73 - 31 - 2652/3.0=2, 2623/3.0=2...(9) HB2 PHE 106 - HD3 LYS 85 lone 5 100 - 5 - HB2 PHE 106 - HD2 LYS 85 lone 3 72 - 5 - HB3 PHE 67 - HD3 LYS 85 lone 3 100 - 3 - HB2 TYR 115 - HD3 LYS 85 lone 3 100 - 3 - HB3 PHE 67 - HD2 LYS 85 lone 2 72 - 3 - HB2 TYR 115 - HD2 LYS 85 lone 2 73 - 3 - HE3 LYS 61 - HD3 LYS 85 lone 1 68 - 2 - HE2 LYS 61 - HD3 LYS 85 lone 1 68 - 2 - HB3 ASN 130 - HD3 LYS 85 lone 1 72 - 1 - HE3 LYS 61 - HD2 LYS 85 lone 1 42 - 2 - HE2 LYS 61 - HD2 LYS 85 lone 1 42 - 2 - HB3 ASN 130 - HD2 LYS 85 lone 1 46 - 1 - Peak 2646 from cnoeabs.peaks (2.94, 1.57, 28.74 ppm; 2.62 A): 5 out of 24 assignments used, quality = 1.00: * HE3 LYS 85 + HD3 LYS 85 OK 87 100 - 88 - 2.9=71, 3.5/2641=8...(34) HE2 LYS 85 + HD3 LYS 85 OK 86 98 - 88 - 2.9=71, 3.5/2641=8...(34) HE3 LYS 85 + HD2 LYS 85 OK 64 73 - 87 - 2.9=71, 3.5/2641=6...(34) HE2 LYS 85 + HD2 LYS 85 OK 60 69 - 87 - 2.9=71, 3.5/2641=6...(34) HE3 LYS 93 + HD3 LYS 85 OK 45 99 - 46 - 2663/3.0=3, 2666=3...(21) HE2 LYS 93 - HD3 LYS 85 OK 43 96 - 45 - 2655=3, 2652/3.0=3...(19) HE3 LYS 93 - HD2 LYS 85 OK 31 70 - 45 - 2663/3.0=3, 2665=2...(21) HE3 LYS 48 - HD3 LYS 85 OK 31 100 - 31 - 2663/3.0=2, 2666=2...(9) HE2 LYS 48 - HD3 LYS 85 OK 30 94 - 32 - 2652/3.0=2, 2655=2...(8) HE2 LYS 93 - HD2 LYS 85 OK 29 67 - 44 - 2652/3.0=3, 2655=3...(19) HE3 LYS 48 - HD2 LYS 85 OK 22 72 - 30 - 2663/3.0=2, 2624/3.0=2...(9) HE2 LYS 48 - HD2 LYS 85 OK 20 65 - 31 - 2652/3.0=2, 2623/3.0=2...(8) HB2 PHE 106 - HD3 LYS 85 lone 4 92 - 5 - HB2 PHE 106 - HD2 LYS 85 lone 3 62 - 5 - HB3 PHE 67 - HD3 LYS 85 lone 3 92 - 3 - HB2 TYR 115 - HD3 LYS 85 lone 3 94 - 3 - HB3 PHE 67 - HD2 LYS 85 lone 2 62 - 3 - HE3 LYS 61 - HD3 LYS 85 lone 2 89 - 2 - HB2 TYR 115 - HD2 LYS 85 lone 2 65 - 3 - HE2 LYS 61 - HD3 LYS 85 lone 2 89 - 2 - HE3 LYS 61 - HD2 LYS 85 lone 1 59 - 2 - HE2 LYS 61 - HD2 LYS 85 lone 1 59 - 2 - HB3 ASN 130 - HD3 LYS 85 lone 1 92 - 1 - HB3 ASN 130 - HD2 LYS 85 lone 1 62 - 1 - Peak 2649 from cnoeabs.peaks (4.22, 2.95, 41.80 ppm; 3.95 A): 11 out of 48 assignments used, quality = 1.00: * HA LYS 85 + HE2 LYS 85 OK 94 100 - 94 - 5.8=31, 2573/3.5=28...(52) HA LYS 93 + HE2 LYS 93 OK 90 96 - 94 - 5.9=30, 3015/3.8=17...(41) HA LYS 85 + HE3 LYS 85 OK 86 92 - 94 - 5.8=31, 2573/3.5=28...(54) HA LYS 93 + HE2 LYS 48 OK 76 95 - 80 - 3018=7, 3.0/3091=7...(45) HA LYS 93 + HE2 LYS 85 OK 74 96 - 77 - 2605/3.5=9, 2616/3.5=9...(36) HA LYS 93 + HE3 LYS 48 OK 73 95 - 78 - 3018=7, 3016/3.0=6...(41) HA LYS 93 + HE3 LYS 85 OK 64 85 - 75 - 2605/3.5=9, 2616/3.5=9...(36) HA LYS 85 + HE2 LYS 93 OK 63 100 - 63 - 3068/3.0=6, 3057/3.8=6...(27) HA LYS 85 + HE2 LYS 48 OK 56 99 - 56 - 2577=5, 8186/3.6=4...(25) HA LYS 93 + HE3 LYS 93 OK 55 59 - 93 - 5.9=30, 3015/3.8=17...(41) HA LYS 85 + HE3 LYS 48 OK 55 99 - 55 - 2577=5, 8186/3.6=4...(23) HA LYS 85 - HE3 LYS 93 OK 42 65 - 64 - 3068/3.0=6, 3057/3.8=6...(29) HA PHE 45 - HE2 LYS 48 OK 23 95 - 24 - 1019/7.0=5, 1020/4.9=4...(7) HA PHE 45 - HE3 LYS 48 OK 23 95 - 24 - 1019/7.0=5, 1020/4.9=4...(7) HA THR 102 - HE2 LYS 85 OK 21 89 - 24 - 2605/3.5=3, 2616/3.5=3...(9) HB THR 102 - HE2 LYS 85 OK 20 89 - 22 - 2605/3.5=4, 2616/3.5=4...(9) HA ARG 141 - HE2 LYS 48 OK 18 66 - 28 - 8186/3.6=4, 10502/6.0=3...(9) HA THR 102 - HE3 LYS 85 OK 18 77 - 23 - 2605/3.5=3, 2616/3.5=3...(9) HA ARG 141 - HE3 LYS 48 OK 18 66 - 27 - 8186/3.6=4, 10502/6.0=3...(9) HA THR 102 - HE2 LYS 93 OK 18 88 - 20 - 3068/3.0=3, 3057/3.8=3...(9) HA ARG 141 - HE2 LYS 93 OK 17 67 - 25 - 3068/3.0=3, 3057/3.8=2...(10) HB THR 102 - HE3 LYS 85 OK 16 77 - 21 - 2605/3.5=4, 2616/3.5=4...(9) HB THR 102 - HE2 LYS 93 OK 15 88 - 17 - 3068/3.0=3, 3057/3.8=2...(8) HA ILE 101 - HE2 LYS 93 OK 15 81 - 19 - 11215/3.0=3, 3068/3.0=3...(6) HA ALA 134 - HE2 LYS 93 OK 12 67 - 17 - 2.1/10324=5, ~9637=3...(6) HA ALA 134 - HE2 LYS 48 OK 11 66 - 16 - 2.1/10324=5, ~10324=3...(4) HA ILE 101 - HE2 LYS 48 OK 10 80 - 13 - 1020/4.9=2, 1021/4.9=2...(7) HA ALA 134 - HE3 LYS 48 OK 10 66 - 16 - 2.1/10324=5, ~10324=4...(4) HA ILE 101 - HE3 LYS 48 OK 10 80 - 13 - 1020/4.9=2, 1021/4.9=2...(7) HA THR 102 - HE3 LYS 93 OK 10 52 - 19 - 3068/3.0=3, 3057/3.8=3...(9) HA ARG 141 - HE3 LYS 93 poor 9 37 - 24 - 3068/3.0=3, 3057/3.8=2...(10) HB THR 102 - HE3 LYS 93 poor 9 52 - 17 - 3068/3.0=3, 3057/3.8=2...(8) HA PHE 45 - HE2 LYS 85 lone 8 96 - 9 - 1020/4.8=2, 2605/3.5=1...(4) HA ILE 101 - HE3 LYS 93 poor 8 46 - 18 - 11215/3.0=3, 3068/3.0=3...(6) HA PHE 45 - HE2 LYS 93 lone 8 96 - 8 - 11215/3.0=1, 3068/3.0=1 HA PHE 45 - HE3 LYS 85 lone 7 85 - 9 - 1020/4.8=2, 2605/3.5=1...(4) HA ILE 101 - HE2 LYS 85 lone 7 81 - 9 - 2605/3.5=1, 1020/4.8=1 HA THR 102 - HE2 LYS 48 lone 6 87 - 7 - HA THR 102 - HE3 LYS 48 lone 6 87 - 7 - HA ALA 134 - HE3 LYS 93 poor 6 37 - 17 - ~10324=3, ~9637=3...(6) HA ILE 101 - HE3 LYS 85 lone 6 69 - 8 - 2605/3.5=1, 1020/4.8=1 HA ALA 134 - HE2 LYS 85 lone 6 68 - 8 - 2.1/10324=2, ~10324=1 HA ARG 141 - HE2 LYS 85 lone 5 68 - 8 - 2616/3.5=1 HB THR 102 - HE2 LYS 48 lone 5 87 - 6 - HB THR 102 - HE3 LYS 48 lone 5 87 - 6 - HA PHE 45 - HE3 LYS 93 lone 5 59 - 8 - 11215/3.0=1, 3068/3.0=1 HA ALA 134 - HE3 LYS 85 lone 5 57 - 8 - 2.1/10324=2, ~10324=2 HA ARG 141 - HE3 LYS 85 lone 4 57 - 8 - 2616/3.5=1 Peak 2650 from cnoeabs.peaks (1.70, 2.95, 41.80 ppm; 2.61 A): 3 out of 30 assignments used, quality = 0.96: * HB2 LYS 85 + HE2 LYS 85 OK 75 100 - 75 - 4.8=16, 2639/2.9=6...(58) HB2 LYS 85 + HE3 LYS 85 OK 69 92 - 75 - 4.8=16, 2639/2.9=6...(57) HB2 LYS 85 + HE2 LYS 93 OK 47 100 - 47 - 3.0/2652=3, 3062/3.8=2...(26) HB2 LYS 85 - HE2 LYS 48 OK 38 99 - 38 - 3.0/2652=2, 3.0/2623=2...(7) HB2 LYS 85 - HE3 LYS 48 OK 37 99 - 37 - 3.0/2652=2, 3.0/2623=2...(9) HB2 LYS 85 - HE3 LYS 93 OK 32 65 - 48 - 3.0/2663=2, 3062/3.8=2...(28) HB3 LEU 95 - HE2 LYS 93 OK 21 99 - 22 - 3062/3.8=3, 3137/3.0=2...(9) HB3 LEU 95 - HE3 LYS 93 OK 14 64 - 22 - 3062/3.8=3, 3137/3.0=2...(9) HB ILE 58 - HE2 LYS 85 OK 14 100 - 14 - 8271/3.5=3, 2617/3.5=2...(6) HB ILE 58 - HE3 LYS 85 OK 12 92 - 14 - 8271/3.5=3, 2617/3.5=2...(6) HD2 LYS 86 - HE2 LYS 85 OK 10 100 - 10 - 2617/3.5=2, 2606/3.5=2...(5) HD2 LYS 86 - HE3 LYS 85 poor 10 92 - 10 - 2617/3.5=2, 2606/3.5=2...(5) HB3 LEU 95 - HE2 LYS 85 lone 7 100 - 7 - 2617/3.5=1, 2606/3.5=1 HB3 LEU 95 - HE3 LYS 85 lone 6 90 - 7 - 2617/3.5=1, 2606/3.5=1 HD2 LYS 86 - HE2 LYS 93 lone 6 100 - 6 - HB3 LEU 95 - HE2 LYS 48 lone 5 99 - 5 - HB3 LEU 95 - HE3 LYS 48 lone 4 99 - 5 - HG LEU 26 - HE2 LYS 85 lone 4 81 - 5 - ~10961=1 HD2 LYS 86 - HE3 LYS 93 lone 4 65 - 6 - HG LEU 26 - HE3 LYS 85 lone 3 69 - 5 - ~10961=1 HG LEU 26 - HE2 LYS 93 lone 3 81 - 4 - HG LEU 26 - HE3 LYS 93 lone 2 46 - 4 - HD2 LYS 86 - HE2 LYS 48 lone 2 99 - 2 - HD2 LYS 86 - HE3 LYS 48 lone 2 99 - 2 - HB ILE 58 - HE2 LYS 93 lone 2 100 - 2 - HB ILE 58 - HE3 LYS 48 lone 1 99 - 1 - HB ILE 58 - HE2 LYS 48 lone 1 99 - 1 - HB ILE 58 - HE3 LYS 93 lone 1 65 - 1 - HG LEU 26 - HE3 LYS 48 lone 0 80 - 1 - HG LEU 26 - HE2 LYS 48 lone 0 80 - 1 - Peak 2651 from cnoeabs.peaks (1.86, 2.95, 41.80 ppm; 3.07 A): 11 out of 48 assignments used, quality = 1.00: * HB3 LYS 85 + HE2 LYS 85 OK 89 100 - 89 - 4.8=26, 1.8/2650=7...(71) HB3 LYS 85 + HE3 LYS 85 OK 81 92 - 89 - 4.8=26, 2600/2.9=7...(69) HB2 LYS 48 + HE3 LYS 48 OK 78 93 - 84 - 4.9=25, 1153/3.6=6...(75) HB2 LYS 48 + HE2 LYS 48 OK 78 93 - 84 - 4.9=25, 1153/3.6=6...(75) HB2 LYS 48 + HE2 LYS 93 OK 61 94 - 65 - 2.9/1191=4, 2.9/1180=4...(55) HB3 LYS 85 + HE2 LYS 93 OK 59 100 - 60 - 1.8/2650=4, 3.0/2652=4...(43) HB3 LYS 48 + HE3 LYS 48 OK 59 71 - 84 - 4.9=25, 1185/3.6=6...(74) HB3 LYS 48 + HE2 LYS 48 OK 59 71 - 84 - 4.9=25, 1185/3.6=6...(74) HB3 LYS 85 + HE2 LYS 48 OK 50 99 - 50 - 1.8/2650=4, 3.0/2652=3...(32) HB2 LYS 48 + HE2 LYS 85 OK 49 94 - 52 - 2607/3.5=3, 2618/3.5=3...(26) HB3 LYS 85 + HE3 LYS 48 OK 47 99 - 48 - 1.8/2650=3, 3.0/2652=3...(32) HB3 LYS 48 - HE2 LYS 93 OK 45 72 - 63 - 2.9/1191=4, 2.9/1180=4...(53) HB2 LYS 48 - HE3 LYS 85 OK 43 83 - 52 - 2607/3.5=3, 2618/3.5=3...(32) HB3 LYS 76 - HE2 LYS 85 OK 40 99 - 40 - 2607/3.5=4, 2618/3.5=4...(14) HB3 LYS 85 - HE3 LYS 93 OK 39 65 - 59 - 1.8/2661=3, 2595/3.0=3...(42) HB2 LYS 48 - HE3 LYS 93 OK 38 57 - 67 - 2.9/1191=3, 2.9/1180=3...(59) HB3 LYS 48 - HE2 LYS 85 OK 37 72 - 51 - 2.9/1180=3, 2.9/1191=3...(33) HB3 LYS 76 - HE3 LYS 85 OK 36 89 - 40 - 2607/3.5=4, 2618/3.5=4...(16) HB3 LYS 48 - HE3 LYS 85 OK 31 61 - 50 - 2.9/1191=3, 2.9/1180=3...(37) HB3 LYS 48 - HE3 LYS 93 OK 26 40 - 65 - 2.9/1191=3, 2.9/1180=3...(57) HB3 LYS 76 - HE2 LYS 93 OK 21 99 - 22 - 2268/3.8=2, 2595/3.0=1...(7) HB3 GLU 28 - HE2 LYS 93 OK 16 98 - 17 - ~8049=5, 3.0/8049=2...(6) HB3 LYS 76 - HE3 LYS 93 OK 14 63 - 22 - 2268/3.8=2, 2595/3.0=1...(5) HB2 LYS 36 - HE2 LYS 48 OK 13 80 - 17 - 1185/3.6=3, 1174/3.6=3 HB2 LYS 36 - HE3 LYS 48 OK 13 80 - 16 - 1185/3.6=3, 1174/3.6=3 HB3 LYS 76 - HE2 LYS 48 OK 12 98 - 12 - 2264/3.6=1 HB3 LYS 76 - HE3 LYS 48 OK 11 98 - 11 - 2264/3.6=1 HB3 GLU 28 - HE2 LYS 85 poor 10 98 - 10 - 3.0/8049=1, ~8050=1 HB2 ARG 144 - HE2 LYS 48 poor 10 83 - 12 - 1185/3.6=2, 1174/3.6=2 HB2 ARG 144 - HE3 LYS 48 poor 10 83 - 12 - 1185/3.6=2, 1174/3.6=2 HB2 LYS 36 - HE2 LYS 85 poor 9 81 - 11 - HB3 GLU 28 - HE3 LYS 85 poor 9 87 - 10 - 3.0/8049=1, 3.0/8050=1 HB3 GLU 28 - HE3 LYS 93 poor 8 61 - 13 - 3.0/8049=2, 3.0/8050=2...(6) HB2 LYS 36 - HE3 LYS 85 poor 7 69 - 10 - HB2 LYS 36 - HE2 LYS 93 lone 7 81 - 9 - HB3 GLU 28 - HE2 LYS 48 lone 7 96 - 8 - 3.0/8049=2, ~8049=1 HB3 GLU 28 - HE3 LYS 48 lone 7 96 - 7 - 3.0/8049=2, ~8049=1 HB2 ARG 144 - HE2 LYS 85 lone 6 85 - 7 - HG LEU 69 - HE2 LYS 85 lone 6 100 - 6 - HG LEU 69 - HE3 LYS 85 lone 5 91 - 5 - HB2 ARG 144 - HE3 LYS 85 lone 5 73 - 7 - HG LEU 69 - HE2 LYS 93 lone 5 100 - 5 - HB2 LYS 36 - HE3 LYS 93 lone 4 46 - 8 - HG LEU 69 - HE2 LYS 48 lone 3 99 - 3 - HG LEU 69 - HE3 LYS 48 lone 3 99 - 3 - HG LEU 69 - HE3 LYS 93 lone 3 65 - 4 - HB2 ARG 144 - HE2 LYS 93 lone 2 85 - 2 - HB2 ARG 144 - HE3 LYS 93 lone 1 49 - 2 - Peak 2652 from cnoeabs.peaks (1.32, 2.95, 41.80 ppm; 2.95 A): 5 out of 12 assignments used, quality = 1.00: * HG2 LYS 85 + HE2 LYS 85 OK 93 100 - 93 - 3.5=61, 2641/2.9=13...(67) HG2 LYS 85 + HE3 LYS 85 OK 85 92 - 93 - 3.5=61, 2641/2.9=13...(67) HG2 LYS 85 + HE2 LYS 93 OK 63 100 - 63 - 2612=5, 2613/1.8=4...(27) HG2 LYS 85 + HE2 LYS 48 OK 50 99 - 50 - 2612=4, 2612/1.8=3...(18) HG2 LYS 85 + HE3 LYS 48 OK 48 99 - 48 - 2612=4, 2612/1.8=3...(18) HG2 LYS 85 - HE3 LYS 93 OK 42 65 - 64 - 2613=4, 2612/1.8=4...(29) HG LEU 79 - HE2 LYS 85 poor 8 72 - 10 - 2619/3.5=2, 2585/4.8=2...(5) HG LEU 79 - HE3 LYS 85 poor 6 61 - 10 - 2619/3.5=2, 2585/4.8=2...(5) HG LEU 79 - HE2 LYS 93 lone 2 72 - 2 - HG LEU 79 - HE3 LYS 48 lone 1 71 - 2 - HG LEU 79 - HE2 LYS 48 lone 1 71 - 2 - HG LEU 79 - HE3 LYS 93 lone 1 40 - 2 - Peak 2653 from cnoeabs.peaks (1.52, 2.95, 41.80 ppm; 2.91 A): 11 out of 54 assignments used, quality = 1.00: * HG3 LYS 85 + HE2 LYS 85 OK 91 100 - 91 - 3.5=58, 2622/2.9=9...(62) HG2 LYS 93 + HE2 LYS 93 OK 85 94 - 90 - 3.8=45, 3051/3.0=8...(61) HG3 LYS 85 + HE3 LYS 85 OK 84 92 - 91 - 3.5=58, 2622/2.9=9...(61) HG2 LYS 93 + HE2 LYS 48 OK 69 93 - 74 - 3051/3.0=4, 1.8/3064=4...(55) HG2 LYS 93 + HE2 LYS 85 OK 68 94 - 72 - 2609/3.5=4, 1.8/3064=4...(45) HG2 LYS 93 + HE3 LYS 48 OK 65 93 - 70 - 3051/3.0=4, 1.8/3064=4...(48) HG3 LYS 85 + HE2 LYS 93 OK 63 100 - 63 - 1.8/2652=5, 2623=4...(26) HG2 LYS 93 + HE3 LYS 85 OK 58 83 - 71 - 3054=4, 1.8/3065=4...(44) HG2 LYS 93 + HE3 LYS 93 OK 51 57 - 90 - 3.8=45, 3051/3.0=8...(62) HG3 LYS 85 + HE2 LYS 48 OK 51 99 - 51 - 1.8/2652=4, 2623=3...(22) HG3 LYS 85 + HE3 LYS 48 OK 50 99 - 50 - 1.8/2652=4, 2623=3...(22) HG3 LYS 85 - HE3 LYS 93 OK 42 65 - 64 - 1.8/2663=4, 2624=4...(27) HG3 LYS 76 - HE2 LYS 85 OK 36 94 - 38 - 2609/3.5=4, 2631/2.9=2...(13) HG3 LYS 76 - HE3 LYS 85 OK 31 83 - 37 - 2609/3.5=4, 2631/2.9=2...(13) HG3 LYS 76 - HE2 LYS 93 OK 22 94 - 23 - 3071/3.0=3, 3052/3.0=3...(8) HD2 LYS 76 - HE2 LYS 85 OK 20 81 - 25 - 2609/3.5=2, 2298/4.8=1...(7) HD2 LYS 76 - HE2 LYS 93 OK 19 81 - 23 - 3071/3.0=4, 3060/3.8=3...(6) HD2 LYS 76 - HE3 LYS 85 OK 17 69 - 24 - 2609/3.5=2, 2298/4.8=1...(6) HB2 LEU 29 - HE2 LYS 85 OK 15 99 - 15 - ~10042=3, 2609/3.5=2...(4) HB2 LEU 29 - HE3 LYS 85 OK 13 89 - 15 - ~10042=3, 2609/3.5=2...(4) HG3 LYS 76 - HE3 LYS 93 OK 13 57 - 22 - 3071/3.0=3, 3052/3.0=3...(8) HG3 PRO 57 - HE2 LYS 93 OK 12 100 - 12 - 1538/3.0=2, ~1530=1 HD2 LYS 76 - HE3 LYS 93 OK 10 46 - 22 - 3071/3.0=4, 3060/3.8=3...(6) HG3 LYS 76 - HE2 LYS 48 lone 9 93 - 9 - HG3 LYS 76 - HE3 LYS 48 lone 9 93 - 9 - HB2 LYS 123 - HE2 LYS 85 lone 8 99 - 8 - 9465/10052=1 HG3 PRO 57 - HE2 LYS 85 lone 8 100 - 8 - HG3 PRO 57 - HE3 LYS 93 poor 8 65 - 12 - 1538/3.0=2, ~1530=1 HB2 LYS 123 - HE3 LYS 85 lone 8 89 - 8 - 9465/10052=1 HG3 PRO 57 - HE3 LYS 85 lone 7 91 - 8 - QB ALA 135 - HE2 LYS 93 lone 6 99 - 6 - 4.0/10324=2 QB ALA 135 - HE2 LYS 85 lone 6 100 - 6 - HD2 LYS 76 - HE2 LYS 48 lone 6 80 - 7 - HD2 LYS 76 - HE3 LYS 48 lone 6 80 - 7 - HB2 LEU 29 - HE2 LYS 93 lone 5 99 - 5 - QB ALA 135 - HE3 LYS 85 lone 5 90 - 6 - HB2 LYS 123 - HE3 LYS 48 lone 5 98 - 5 - 4109/3.6=1 HB2 LYS 123 - HE2 LYS 48 lone 5 98 - 5 - 4109/3.6=1 QB ALA 135 - HE2 LYS 48 lone 4 99 - 4 - 4.0/10324=2 QB ALA 135 - HE3 LYS 48 lone 4 99 - 4 - 4.0/10324=2 HB2 GLU 122 - HE2 LYS 85 lone 3 81 - 4 - QB ALA 135 - HE3 LYS 93 lone 3 64 - 5 - 4.0/10324=1 HB2 LEU 29 - HE3 LYS 93 lone 3 63 - 5 - HB2 GLU 122 - HE3 LYS 85 lone 3 69 - 4 - HB2 LYS 123 - HE2 LYS 93 lone 3 99 - 3 - HB2 LEU 29 - HE3 LYS 48 lone 3 98 - 3 - HB2 LEU 29 - HE2 LYS 48 lone 2 98 - 2 - HG3 PRO 57 - HE2 LYS 48 lone 2 99 - 2 - HG3 PRO 57 - HE3 LYS 48 lone 2 99 - 2 - HB2 LYS 123 - HE3 LYS 93 lone 2 63 - 2 - HB2 GLU 122 - HE2 LYS 93 lone 1 81 - 1 - HB2 GLU 122 - HE3 LYS 93 lone 1 46 - 1 - HB2 GLU 122 - HE3 LYS 48 lone 1 80 - 1 - HB2 GLU 122 - HE2 LYS 48 lone 1 80 - 1 - Peak 2654 from cnoeabs.peaks (1.57, 2.95, 41.80 ppm; 2.50 A): 4 out of 54 assignments used, quality = 1.00: * HD2 LYS 85 + HE2 LYS 85 OK 82 100 - 82 - 2.9=61, 2630/3.5=7...(32) HD2 LYS 85 + HE3 LYS 85 OK 75 92 - 82 - 2.9=61, 2630/3.5=7...(32) HD3 LYS 85 + HE2 LYS 85 OK 75 92 - 81 - 2.9=61, 2641/3.5=6...(32) HD3 LYS 85 + HE3 LYS 85 OK 65 80 - 81 - 2.9=61, 2641/3.5=6...(32) HD2 LYS 85 - HE2 LYS 93 OK 43 100 - 43 - 2634=3, 3.0/2652=3...(18) HD3 LYS 85 - HE2 LYS 93 OK 39 91 - 42 - 2645=3, 3.0/2652=3...(17) HD2 LYS 85 - HE2 LYS 48 OK 30 99 - 30 - 2634=2, 3.0/2652=2...(7) HD2 LYS 85 - HE3 LYS 48 OK 29 99 - 30 - 2634=2, 3.0/2652=2...(7) HD2 LYS 85 - HE3 LYS 93 OK 28 65 - 43 - 2635=3, 1.8/2646=2...(20) HD3 LYS 85 - HE2 LYS 48 OK 27 90 - 30 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 48 OK 26 90 - 29 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 93 OK 23 55 - 42 - 2646=3, 3.0/2663=2...(20) HG2 ARG 109 - HE2 LYS 85 OK 21 99 - 22 - 2610/3.5=2, 2621/3.5=2 HG2 ARG 109 - HE3 LYS 85 OK 19 89 - 22 - 2610/3.5=2, 2621/3.5=2 HG3 ARG 109 - HE2 LYS 85 OK 16 77 - 21 - 2611/3.5=2, 2622/3.5=2 HG3 ARG 109 - HE3 LYS 85 OK 14 65 - 21 - 2611/3.5=2, 2622/3.5=2 HB2 LEU 126 - HE2 LYS 85 OK 13 100 - 13 - HB2 LEU 126 - HE3 LYS 85 OK 12 91 - 13 - HB2 LEU 66 - HE2 LYS 85 lone 8 99 - 8 - 3.1/9860=1 HG3 ARG 145 - HE2 LYS 85 lone 7 100 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 7 100 - 7 - HB2 LEU 66 - HE3 LYS 85 lone 7 89 - 8 - HG3 ARG 145 - HE3 LYS 85 lone 7 92 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 7 91 - 7 - HB2 LEU 126 - HE2 LYS 93 lone 7 100 - 6 - 4277/5.1=2 HB2 LEU 66 - HE2 LYS 48 lone 4 98 - 4 - HB2 LEU 66 - HE3 LYS 48 lone 4 98 - 4 - HB2 LEU 126 - HE3 LYS 93 lone 4 65 - 6 - 4277/5.1=2 HB2 LEU 126 - HE2 LYS 48 lone 4 99 - 4 - HB2 LEU 126 - HE3 LYS 48 lone 4 99 - 4 - HB2 LEU 66 - HE2 LYS 93 lone 3 99 - 3 - HG3 ARG 124 - HE2 LYS 85 lone 2 85 - 2 - HG3 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HG2 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HG3 ARG 145 - HE3 LYS 48 lone 2 99 - 1 - HG2 ARG 145 - HE3 LYS 48 lone 2 99 - 1 - HG3 ARG 124 - HE2 LYS 48 lone 2 83 - 2 - HG2 ARG 109 - HE2 LYS 93 lone 1 99 - 1 - HG3 ARG 124 - HE3 LYS 85 lone 1 73 - 2 - HG3 ARG 124 - HE3 LYS 48 lone 1 83 - 2 - HB2 LEU 66 - HE3 LYS 93 lone 1 63 - 2 - HG3 ARG 124 - HE2 LYS 93 lone 1 85 - 2 - HG3 ARG 145 - HE2 LYS 93 lone 1 100 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 100 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 98 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 98 - 1 - HG3 ARG 109 - HE2 LYS 93 lone 1 77 - 2 - HG3 ARG 109 - HE2 LYS 48 lone 1 75 - 1 - HG3 ARG 109 - HE3 LYS 48 lone 1 75 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 63 - 1 - HG3 ARG 145 - HE3 LYS 93 lone 1 65 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 65 - 1 - HG3 ARG 124 - HE3 LYS 93 lone 1 49 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 1 43 - 1 - Peak 2655 from cnoeabs.peaks (1.57, 2.95, 41.80 ppm; 2.50 A): 4 out of 54 assignments used, quality = 1.00: * HD3 LYS 85 + HE2 LYS 85 OK 82 100 - 82 - 2.9=61, 2641/3.5=7...(32) HD3 LYS 85 + HE3 LYS 85 OK 75 92 - 82 - 2.9=61, 2641/3.5=7...(32) HD2 LYS 85 + HE2 LYS 85 OK 75 92 - 81 - 2.9=61, 2630/3.5=6...(32) HD2 LYS 85 + HE3 LYS 85 OK 65 80 - 81 - 2.9=61, 2630/3.5=6...(32) HD3 LYS 85 - HE2 LYS 93 OK 43 100 - 43 - 2645=3, 3.0/2652=3...(17) HD2 LYS 85 - HE2 LYS 93 OK 39 91 - 42 - 3.0/2652=3, 2634=3...(18) HD3 LYS 85 - HE2 LYS 48 OK 30 99 - 31 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 48 OK 30 99 - 30 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 93 OK 28 65 - 43 - 2646=3, 2645/1.8=2...(20) HD2 LYS 85 - HE2 LYS 48 OK 27 90 - 30 - 3.0/2652=2, 2634=2...(7) HD2 LYS 85 - HE3 LYS 48 OK 26 90 - 29 - 3.0/2652=2, 2634=2...(7) HD2 LYS 85 - HE3 LYS 93 OK 23 55 - 42 - 2635=2, 1.8/2646=2...(20) HG3 ARG 109 - HE2 LYS 85 OK 23 99 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HG3 ARG 109 - HE3 LYS 85 OK 20 89 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HG2 ARG 109 - HE2 LYS 85 OK 16 77 - 21 - 2610/3.5=2, 2621/3.5=2 HG2 ARG 109 - HE3 LYS 85 OK 13 65 - 21 - 2610/3.5=2, 2621/3.5=2 HB2 LEU 126 - HE2 LYS 85 OK 12 96 - 13 - HB2 LEU 126 - HE3 LYS 85 OK 11 85 - 13 - HB2 LEU 66 - HE2 LYS 85 lone 8 99 - 8 - 3.1/9860=1 HG2 ARG 145 - HE2 LYS 85 lone 7 96 - 7 - HB2 LEU 66 - HE3 LYS 85 lone 7 89 - 8 - HG3 ARG 145 - HE2 LYS 85 lone 6 92 - 7 - HB2 LEU 126 - HE2 LYS 93 lone 6 96 - 6 - 4277/5.1=2 HG2 ARG 145 - HE3 LYS 85 lone 6 85 - 7 - HG3 ARG 145 - HE3 LYS 85 lone 6 80 - 7 - HB2 LEU 66 - HE2 LYS 48 lone 4 98 - 4 - HB2 LEU 66 - HE3 LYS 48 lone 4 98 - 4 - HB2 LEU 126 - HE3 LYS 93 lone 4 59 - 6 - 4277/5.1=2 HB2 LEU 126 - HE2 LYS 48 lone 4 95 - 4 - HB2 LEU 126 - HE3 LYS 48 lone 3 95 - 4 - HB2 LEU 66 - HE2 LYS 93 lone 2 99 - 2 - HG3 ARG 109 - HE2 LYS 48 lone 2 98 - 2 - HG3 ARG 124 - HE2 LYS 85 lone 2 100 - 2 - HG3 ARG 109 - HE3 LYS 48 lone 2 98 - 2 - HG3 ARG 124 - HE2 LYS 48 lone 2 99 - 2 - HG3 ARG 124 - HE3 LYS 85 lone 2 91 - 2 - HG3 ARG 124 - HE3 LYS 48 lone 2 99 - 2 - HG3 ARG 109 - HE2 LYS 93 lone 2 99 - 2 - HG3 ARG 124 - HE2 LYS 93 lone 2 100 - 2 - HG2 ARG 145 - HE2 LYS 48 lone 1 95 - 1 - HG2 ARG 145 - HE3 LYS 48 lone 1 95 - 1 - HB2 LEU 66 - HE3 LYS 93 lone 1 63 - 2 - HG3 ARG 145 - HE2 LYS 48 lone 1 90 - 1 - HG3 ARG 145 - HE3 LYS 48 lone 1 90 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 96 - 1 - HG3 ARG 145 - HE2 LYS 93 lone 1 91 - 1 - HG3 ARG 124 - HE3 LYS 93 lone 1 65 - 2 - HG3 ARG 109 - HE3 LYS 93 lone 1 63 - 2 - HG2 ARG 109 - HE2 LYS 93 lone 1 77 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 75 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 75 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 59 - 1 - HG3 ARG 145 - HE3 LYS 93 lone 1 55 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 43 - 1 - Peak 2656 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 85 + HE2 LYS 85 OK 100 100 - 100 HE2 LYS 93 + HE2 LYS 93 OK 100 100 - 100 HE2 LYS 48 + HE2 LYS 48 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 99 99 - 100 HE3 LYS 85 + HE3 LYS 85 OK 87 87 - 100 HE3 LYS 93 + HE3 LYS 93 OK 52 52 - 100 Peak 2657 from cnoeabs.peaks (2.94, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 48 + HE3 LYS 48 OK 99 99 - 100 HE2 LYS 85 + HE2 LYS 85 OK 98 98 - 100 HE2 LYS 93 + HE2 LYS 93 OK 96 96 - 100 HE2 LYS 48 + HE2 LYS 48 OK 93 93 - 100 HE3 LYS 85 + HE3 LYS 85 OK 92 92 - 100 HE3 LYS 93 + HE3 LYS 93 OK 63 63 - 100 Reference assignment not found: HE3 LYS 85 - HE2 LYS 85 Peak 2660 from cnoeabs.peaks (4.22, 2.94, 41.80 ppm; 3.81 A): 11 out of 64 assignments used, quality = 1.00: * HA LYS 85 + HE3 LYS 85 OK 93 100 - 93 - 5.8=28, 2573/3.5=27...(52) HA LYS 85 + HE2 LYS 85 OK 85 92 - 92 - 5.8=28, 2573/3.5=27...(50) HA LYS 93 + HE3 LYS 93 OK 82 90 - 92 - 5.9=27, 3015/3.8=16...(41) HA LYS 93 + HE2 LYS 93 OK 74 80 - 92 - 5.9=27, 3015/3.8=16...(41) HA LYS 93 + HE3 LYS 85 OK 71 96 - 74 - 2605/3.5=9, 2616/3.5=8...(36) HA LYS 93 + HE3 LYS 48 OK 69 93 - 75 - 3019=6, 3.0/3102=6...(41) HA LYS 93 + HE2 LYS 85 OK 63 85 - 73 - 2605/3.5=9, 2616/3.5=8...(36) HA LYS 85 + HE3 LYS 93 OK 59 96 - 62 - 3068/3.0=6, 3057/3.8=5...(26) HA LYS 93 + HE2 LYS 48 OK 57 74 - 77 - 3016/3.0=6, 3018=6...(45) HA LYS 85 + HE2 LYS 93 OK 51 87 - 59 - 3068/3.0=6, 3057/3.8=5...(24) HA LYS 85 + HE3 LYS 48 OK 51 98 - 52 - 2578=4, 8186/3.6=4...(22) HA LYS 85 - HE2 LYS 48 OK 42 81 - 52 - 2577=4, 8186/3.6=4...(24) HA PHE 45 - HE3 LYS 48 OK 21 93 - 22 - 1019/7.0=5, 1020/4.9=4...(7) HA THR 102 - HE3 LYS 85 OK 20 89 - 22 - 2605/3.5=3, 2616/3.5=3...(9) HB THR 102 - HE3 LYS 85 OK 18 89 - 20 - 2605/3.5=3, 2616/3.5=3...(8) HA THR 102 - HE2 LYS 85 OK 17 77 - 22 - 2605/3.5=3, 2616/3.5=3...(9) HA PHE 45 - HE2 LYS 48 OK 16 74 - 22 - 1019/7.0=5, 1020/4.9=4...(7) HB THR 102 - HE2 LYS 85 OK 16 77 - 21 - 2605/3.5=3, 2616/3.5=3...(8) HA ARG 141 - HE3 LYS 48 OK 16 63 - 25 - 8186/3.6=3, 10502/6.0=3...(7) HA THR 102 - HE3 LYS 93 OK 15 81 - 18 - 3068/3.0=3, 3057/3.8=2...(7) HA ARG 141 - HE3 LYS 93 OK 14 60 - 23 - 3068/3.0=3, 3057/3.8=2...(11) HA THR 102 - HE2 LYS 93 OK 13 72 - 18 - 3068/3.0=3, 3057/3.8=2...(7) HB THR 102 - HE3 LYS 93 OK 13 81 - 16 - 3068/3.0=2, 3057/3.8=2...(8) HA ILE 101 - HE3 LYS 93 OK 13 74 - 17 - 11215/3.0=3, 3068/3.0=2...(6) HA ARG 141 - HE2 LYS 48 OK 12 47 - 25 - 8186/3.6=3, 10502/6.0=3...(7) HA ARG 141 - HE2 LYS 93 OK 12 52 - 22 - 3068/3.0=3, 3057/3.8=2...(10) HB THR 102 - HE2 LYS 93 OK 12 72 - 16 - 3068/3.0=2, 3057/3.8=2...(8) HA ILE 101 - HE2 LYS 93 OK 11 64 - 17 - 11215/3.0=3, 3068/3.0=2...(6) HA ILE 101 - HE3 LYS 48 poor 9 77 - 12 - 1020/4.9=1, 1021/4.9=1...(7) HA ALA 134 - HE3 LYS 93 poor 9 60 - 15 - ~10324=3, ~9637=3...(6) HA ALA 134 - HE3 LYS 48 poor 9 63 - 14 - 2.1/10324=4, ~10324=3, ~9637=2 HA ALA 134 - HE2 LYS 93 poor 8 52 - 15 - 2.1/10324=4, ~9637=3...(6) HA PHE 45 - HE3 LYS 85 lone 8 96 - 8 - 1020/4.8=1, 2605/3.5=1...(4) HA ILE 101 - HE2 LYS 48 poor 7 59 - 12 - 1020/4.9=1, 1021/4.9=1...(7) HA PHE 45 - HE2 LYS 85 lone 7 85 - 8 - 1020/4.8=1, 2605/3.5=1...(4) HA PHE 45 - HE3 LYS 93 lone 7 90 - 8 - 11215/3.0=1, 3068/3.0=1 HA ILE 101 - HE3 LYS 85 lone 7 81 - 8 - 2605/3.5=1 HA ALA 134 - HE2 LYS 48 poor 7 47 - 14 - 2.1/10324=4, ~10324=3, ~9637=2 HA PHE 45 - HE2 LYS 93 lone 6 80 - 8 - 11215/3.0=1, 3068/3.0=1 HA LYS 93 - HE3 LYS 61 lone 6 59 - 9 - 3015/10892=1 HA LYS 93 - HE2 LYS 61 lone 6 59 - 9 - 3015/10892=1 HA THR 102 - HE3 LYS 48 lone 6 85 - 6 - HA ILE 101 - HE2 LYS 85 lone 5 69 - 8 - 2605/3.5=1 HA ARG 141 - HE3 LYS 85 lone 5 68 - 7 - HA ALA 134 - HE3 LYS 85 lone 5 68 - 7 - ~10324=2, 2.1/10324=2 HB THR 102 - HE3 LYS 48 lone 4 85 - 5 - HA LYS 85 - HE3 LYS 61 lone 4 65 - 7 - 8904/8336=2 HA THR 102 - HE2 LYS 48 lone 4 66 - 6 - HA ARG 141 - HE2 LYS 85 lone 4 57 - 7 - HA ALA 134 - HE2 LYS 85 lone 4 57 - 7 - 2.1/10324=2, ~10324=1 HA LYS 85 - HE2 LYS 61 lone 4 65 - 6 - 8904/8336=1 HB THR 102 - HE2 LYS 48 lone 3 66 - 5 - HB THR 102 - HE3 LYS 61 lone 2 52 - 3 - HB THR 102 - HE2 LYS 61 lone 2 52 - 3 - HA THR 102 - HE3 LYS 61 lone 2 52 - 3 - HA THR 102 - HE2 LYS 61 lone 1 52 - 3 - HA ARG 141 - HE3 LYS 61 lone 1 37 - 2 - HA ILE 101 - HE3 LYS 61 lone 1 46 - 2 - HA ILE 101 - HE2 LYS 61 lone 1 46 - 2 - HA ARG 141 - HE2 LYS 61 lone 1 37 - 2 - HA PHE 45 - HE3 LYS 61 lone 0 59 - 1 - HA PHE 45 - HE2 LYS 61 lone 0 59 - 1 - HA ALA 134 - HE2 LYS 61 lone 0 37 - 1 - HA ALA 134 - HE3 LYS 61 lone 0 37 - 1 - Peak 2661 from cnoeabs.peaks (1.70, 2.94, 41.80 ppm; 2.54 A): 4 out of 40 assignments used, quality = 0.97: * HB2 LYS 85 + HE3 LYS 85 OK 73 100 - 73 - 4.8=15, 2639/2.9=5...(56) HB2 LYS 85 + HE2 LYS 85 OK 67 92 - 73 - 4.8=15, 2639/2.9=5...(56) HB2 LYS 85 + HE3 LYS 93 OK 44 96 - 46 - 3.0/2663=3, 3062/3.8=2...(26) HB2 LYS 85 + HE2 LYS 93 OK 38 87 - 44 - 3.0/2663=2, 3062/3.8=2...(21) HB2 LYS 85 - HE3 LYS 48 OK 34 98 - 35 - 3.0/2663=2, 3.0/2624=2...(7) HB2 LYS 85 - HE2 LYS 48 OK 29 81 - 36 - 3.0/2652=2, 3.0/2623=2...(7) HB3 LEU 95 - HE3 LYS 93 OK 19 94 - 20 - 3062/3.8=2, 3137/3.0=2...(7) HB3 LEU 95 - HE2 LYS 93 OK 17 85 - 20 - 3062/3.8=2, 3137/3.0=2...(7) HB ILE 58 - HE3 LYS 85 OK 13 100 - 13 - 8271/3.5=3, 2617/3.5=2...(7) HB ILE 58 - HE2 LYS 85 OK 12 92 - 13 - 8271/3.5=3, 2617/3.5=2...(6) HD2 LYS 86 - HE3 LYS 85 lone 10 100 - 10 - 2617/3.5=2, 2606/3.5=2...(4) HD2 LYS 86 - HE2 LYS 85 lone 9 92 - 10 - 2617/3.5=2, 2606/3.5=2...(4) HB3 LEU 95 - HE3 LYS 85 lone 7 100 - 7 - 2617/3.5=1, 2606/3.5=1 HB ILE 58 - HE3 LYS 61 lone 6 65 - 10 - 3.2/8287=2, ~9824=2...(4) HB ILE 58 - HE2 LYS 61 lone 6 65 - 9 - 3.2/8287=2, ~9824=2...(4) HB3 LEU 95 - HE2 LYS 85 lone 6 90 - 7 - 2617/3.5=1, 2606/3.5=1 HD2 LYS 86 - HE3 LYS 93 lone 5 95 - 6 - HD2 LYS 86 - HE2 LYS 93 lone 5 87 - 5 - HB3 LEU 95 - HE3 LYS 48 lone 4 97 - 4 - HG LEU 26 - HE3 LYS 85 lone 4 81 - 4 - ~10961=1 HB3 LEU 95 - HE2 LYS 48 lone 3 79 - 4 - HG LEU 26 - HE2 LYS 85 lone 3 69 - 4 - ~10961=1 HG LEU 26 - HE3 LYS 93 lone 3 74 - 4 - HB2 LYS 85 - HE3 LYS 61 lone 2 65 - 3 - HB2 LYS 85 - HE2 LYS 61 lone 2 65 - 3 - HG LEU 26 - HE2 LYS 93 lone 2 64 - 3 - HD2 LYS 86 - HE3 LYS 48 lone 1 98 - 1 - HG LEU 26 - HE3 LYS 61 lone 1 46 - 3 - HB ILE 58 - HE3 LYS 93 lone 1 95 - 1 - HG LEU 26 - HE2 LYS 61 lone 1 46 - 3 - HB ILE 58 - HE3 LYS 48 lone 1 98 - 1 - HB ILE 58 - HE2 LYS 93 lone 1 87 - 1 - HD2 LYS 86 - HE2 LYS 48 lone 1 80 - 1 - HB ILE 58 - HE2 LYS 48 lone 1 80 - 1 - HG LEU 26 - HE3 LYS 48 lone 0 77 - 1 - HD2 LYS 86 - HE2 LYS 61 lone 0 65 - 1 - HD2 LYS 86 - HE3 LYS 61 lone 0 65 - 1 - HB3 LEU 95 - HE2 LYS 61 lone 0 64 - 1 - HB3 LEU 95 - HE3 LYS 61 lone 0 64 - 1 - HG LEU 26 - HE2 LYS 48 lone 0 59 - 0 - Peak 2662 from cnoeabs.peaks (1.86, 2.94, 41.80 ppm; 3.04 A): 11 out of 64 assignments used, quality = 1.00: * HB3 LYS 85 + HE3 LYS 85 OK 88 100 - 88 - 4.8=25, 1.8/2661=7...(67) HB3 LYS 85 + HE2 LYS 85 OK 81 92 - 88 - 4.8=25, 2600/2.9=7...(70) HB2 LYS 48 + HE3 LYS 48 OK 75 90 - 83 - 4.9=24, 1153/3.6=6...(74) HB2 LYS 48 + HE2 LYS 48 OK 59 71 - 83 - 4.9=24, 1153/3.6=6...(75) HB2 LYS 48 + HE3 LYS 93 OK 57 87 - 66 - 2.9/1192=3, 2.9/1181=3...(56) HB3 LYS 48 + HE3 LYS 48 OK 56 68 - 83 - 4.9=24, 1185/3.6=6...(73) HB3 LYS 85 + HE3 LYS 93 OK 56 96 - 59 - 1.8/2661=4, 3.0/2663=4...(41) HB3 LYS 85 + HE2 LYS 93 OK 50 87 - 58 - 1.8/2661=4, 3.0/2663=3...(42) HB2 LYS 48 + HE2 LYS 93 OK 49 78 - 64 - 2.9/1191=3, 2.9/1180=3...(52) HB2 LYS 48 + HE3 LYS 85 OK 47 94 - 50 - 2607/3.5=3, 2618/3.5=3...(30) HB3 LYS 85 + HE3 LYS 48 OK 46 98 - 47 - 1.8/2661=3, 3.0/2663=3...(32) HB3 LYS 48 - HE2 LYS 48 OK 42 51 - 83 - 4.9=24, 1185/3.6=6...(74) HB2 LYS 48 - HE2 LYS 85 OK 42 83 - 50 - 2607/3.5=3, 2618/3.5=3...(25) HB3 LYS 48 - HE3 LYS 93 OK 41 65 - 64 - 2.9/1192=3, 2.9/1181=3...(54) HB3 LYS 85 - HE2 LYS 48 OK 39 81 - 48 - 1.8/2650=3, 3.0/2652=3...(30) HB3 LYS 76 - HE3 LYS 85 OK 39 99 - 39 - 2607/3.5=4, 2618/3.5=4...(16) HB3 LYS 48 - HE3 LYS 85 OK 36 72 - 49 - 2.9/1192=2, 2.9/1181=2...(36) HB3 LYS 76 - HE2 LYS 85 OK 35 89 - 39 - 2607/3.5=4, 2618/3.5=4...(13) HB3 LYS 48 - HE2 LYS 93 OK 34 56 - 61 - 2.9/1191=3, 2.9/1180=3...(52) HB3 LYS 48 - HE2 LYS 85 OK 30 61 - 49 - 2.9/1180=3, 2.9/1191=3...(29) HB3 LYS 76 - HE3 LYS 93 OK 20 93 - 22 - 2268/3.8=2, 2595/3.0=1...(5) HB3 LYS 76 - HE2 LYS 93 OK 17 84 - 21 - 2268/3.8=2, 2595/3.0=1...(5) HB3 GLU 28 - HE2 LYS 93 OK 14 82 - 17 - ~8049=5, 3.0/8050=2...(6) HB3 GLU 28 - HE3 LYS 93 OK 13 92 - 14 - 3.0/8050=3, 3.0/8049=3...(6) HB2 LYS 36 - HE3 LYS 48 OK 12 77 - 15 - 1185/3.6=3, 1174/3.6=2 HB3 LYS 76 - HE3 LYS 48 OK 11 96 - 11 - 2264/3.6=1 HB3 GLU 28 - HE3 LYS 85 lone 10 98 - 10 - 3.0/8050=1, 3.0/8049=1 HB2 LYS 36 - HE2 LYS 48 poor 9 59 - 16 - 1185/3.6=3, 1174/3.6=2 HB2 ARG 144 - HE3 LYS 48 poor 9 81 - 11 - 1185/3.6=2, 1174/3.6=2 HB3 LYS 76 - HE2 LYS 48 poor 9 78 - 11 - 2264/3.6=1 HB3 GLU 28 - HE2 LYS 85 lone 9 87 - 10 - 3.0/8049=1, 3.0/8050=1, ~8050=1 HB2 LYS 36 - HE3 LYS 85 poor 9 81 - 10 - HB2 LYS 36 - HE2 LYS 85 poor 8 69 - 11 - HB2 ARG 144 - HE2 LYS 48 poor 7 62 - 11 - 1185/3.6=2, 1174/3.6=2 HB3 GLU 28 - HE3 LYS 48 lone 7 95 - 7 - 3.0/8049=1, ~8049=1 HB2 LYS 36 - HE3 LYS 93 lone 6 74 - 8 - HB2 ARG 144 - HE3 LYS 85 lone 6 85 - 6 - HB2 LYS 36 - HE2 LYS 93 lone 6 64 - 9 - HG LEU 69 - HE3 LYS 85 lone 5 100 - 5 - HB3 GLU 28 - HE2 LYS 48 lone 5 76 - 7 - 3.0/8049=1, ~8049=1 HG LEU 69 - HE2 LYS 85 lone 5 91 - 5 - HB2 ARG 144 - HE2 LYS 85 lone 5 73 - 6 - HG LEU 69 - HE3 LYS 93 lone 4 95 - 4 - HG LEU 69 - HE2 LYS 93 lone 4 86 - 4 - HG LEU 69 - HE3 LYS 48 lone 3 98 - 3 - HB3 LYS 85 - HE3 LYS 61 lone 3 65 - 5 - 10039/8336=1 HB3 LYS 85 - HE2 LYS 61 lone 3 65 - 5 - HG LEU 69 - HE2 LYS 48 lone 3 80 - 3 - HB2 LYS 36 - HE3 LYS 61 lone 2 46 - 4 - HB2 LYS 36 - HE2 LYS 61 lone 2 46 - 3 - HB3 GLU 28 - HE2 LYS 61 lone 1 61 - 2 - 3.0/8049=2 HB2 ARG 144 - HE3 LYS 93 lone 1 78 - 2 - HB3 GLU 28 - HE3 LYS 61 lone 1 61 - 2 - ~8049=1 HB2 LYS 48 - HE2 LYS 61 lone 1 57 - 2 - HB2 LYS 48 - HE3 LYS 61 lone 1 57 - 2 - HB2 ARG 144 - HE2 LYS 93 lone 1 68 - 2 - HB3 LYS 76 - HE3 LYS 61 lone 1 63 - 2 - HB3 LYS 76 - HE2 LYS 61 lone 1 63 - 2 - HB3 LYS 48 - HE3 LYS 61 lone 1 40 - 2 - HB3 LYS 48 - HE2 LYS 61 lone 1 40 - 2 - HB2 ARG 144 - HE3 LYS 61 lone 1 49 - 1 - HB2 ARG 144 - HE2 LYS 61 lone 1 49 - 1 - HG LEU 69 - HE2 LYS 61 lone 0 65 - 1 - HG LEU 69 - HE3 LYS 61 lone 0 65 - 1 - Peak 2663 from cnoeabs.peaks (1.32, 2.94, 41.80 ppm; 2.75 A): 4 out of 16 assignments used, quality = 0.99: * HG2 LYS 85 + HE3 LYS 85 OK 88 100 - 88 - 3.5=50, 2641/2.9=11...(58) HG2 LYS 85 + HE2 LYS 85 OK 81 92 - 88 - 3.5=50, 2641/2.9=11...(62) HG2 LYS 85 + HE3 LYS 93 OK 55 96 - 58 - 2613=4, 2612/1.8=3...(25) HG2 LYS 85 + HE2 LYS 93 OK 49 87 - 56 - 2612=4, 2613/1.8=3...(24) HG2 LYS 85 - HE3 LYS 48 OK 42 98 - 43 - 2613=3, 2612/1.8=3...(15) HG2 LYS 85 - HE2 LYS 48 OK 35 81 - 44 - 2612=3, 2612/1.8=3...(14) HG LEU 79 - HE3 LYS 85 lone 6 72 - 9 - 2619/3.5=2, 2585/4.8=1 HG LEU 79 - HE2 LYS 85 lone 5 61 - 9 - 2619/3.5=2, 2585/4.8=1 HG LEU 79 - HE3 LYS 61 lone 3 40 - 8 - HG LEU 79 - HE2 LYS 61 lone 3 40 - 8 - HG2 LYS 85 - HE3 LYS 61 lone 3 65 - 4 - 10040/8336=1 HG2 LYS 85 - HE2 LYS 61 lone 3 65 - 4 - HG LEU 79 - HE3 LYS 93 lone 2 65 - 2 - HG LEU 79 - HE2 LYS 93 lone 1 56 - 2 - HG LEU 79 - HE3 LYS 48 lone 1 68 - 2 - HG LEU 79 - HE2 LYS 48 lone 1 51 - 1 - Peak 2664 from cnoeabs.peaks (1.52, 2.94, 41.80 ppm; 2.68 A): 10 out of 72 assignments used, quality = 1.00: * HG3 LYS 85 + HE3 LYS 85 OK 85 100 - 85 - 3.5=46, 2622/2.9=7...(49) HG3 LYS 85 + HE2 LYS 85 OK 78 92 - 85 - 3.5=46, 2622/2.9=7...(49) HG2 LYS 93 + HE3 LYS 93 OK 73 87 - 84 - 3.8=36, 3051/3.0=7...(56) HG2 LYS 93 + HE2 LYS 93 OK 65 78 - 84 - 3.8=36, 3051/3.0=7...(58) HG2 LYS 93 + HE3 LYS 85 OK 61 94 - 64 - 1.8/3065=4, 3054=4...(38) HG2 LYS 93 + HE3 LYS 48 OK 57 90 - 63 - 1.8/3065=4, 3051/3.0=4...(40) HG3 LYS 85 + HE3 LYS 93 OK 55 96 - 58 - 1.8/2663=5, 3071/3.0=3...(25) HG2 LYS 93 + HE2 LYS 85 OK 53 83 - 65 - 1.8/3065=4, 3054=3...(41) HG3 LYS 85 + HE2 LYS 93 OK 48 87 - 55 - 1.8/2663=4, 3071/3.0=3...(24) HG2 LYS 93 + HE2 LYS 48 OK 48 71 - 67 - 3051/3.0=4, 1.8/3065=4...(44) HG3 LYS 85 - HE3 LYS 48 OK 43 98 - 44 - 1.8/2663=3, 2624=3...(19) HG3 LYS 85 - HE2 LYS 48 OK 35 81 - 44 - 1.8/2652=3, 2623=3...(19) HG3 LYS 76 - HE3 LYS 85 OK 29 94 - 31 - 2609/3.5=3, 2631/2.9=2...(8) HG3 LYS 76 - HE2 LYS 85 OK 25 83 - 30 - 2609/3.5=3, 2631/2.9=2...(8) HG3 LYS 76 - HE3 LYS 93 OK 17 87 - 19 - 3071/3.0=2, 3052/3.0=2...(6) HD2 LYS 76 - HE3 LYS 85 OK 16 81 - 20 - 2609/3.5=2, 2298/4.8=1...(4) HG3 LYS 76 - HE2 LYS 93 OK 15 78 - 19 - 3071/3.0=2, 3052/3.0=2...(5) HD2 LYS 76 - HE3 LYS 93 OK 14 74 - 19 - 3071/3.0=3, 3060/3.8=3...(5) HD2 LYS 76 - HE2 LYS 85 OK 14 69 - 20 - 2609/3.5=2, 2298/4.8=1 HB2 LEU 29 - HE3 LYS 85 OK 12 99 - 12 - ~10042=2, 2609/3.5=1 HD2 LYS 76 - HE2 LYS 93 OK 12 64 - 19 - 3071/3.0=3, 3060/3.8=3...(5) HB2 LEU 29 - HE2 LYS 85 OK 11 89 - 12 - ~10042=2, 2609/3.5=1 HG3 PRO 57 - HE3 LYS 93 poor 10 95 - 10 - 1538/3.0=2 HG3 PRO 57 - HE2 LYS 93 lone 8 86 - 10 - 1538/3.0=2 HG3 LYS 76 - HE3 LYS 48 lone 7 90 - 8 - HG3 PRO 57 - HE3 LYS 85 lone 6 100 - 6 - HB2 LYS 123 - HE3 LYS 85 lone 6 99 - 6 - 9465/10052=1 HG3 PRO 57 - HE2 LYS 85 lone 6 91 - 6 - HB2 LYS 123 - HE2 LYS 85 lone 6 89 - 6 - 9465/10052=1 HG3 LYS 76 - HE2 LYS 48 lone 5 71 - 7 - QB ALA 135 - HE3 LYS 85 lone 4 100 - 4 - HD2 LYS 76 - HE3 LYS 48 lone 4 77 - 6 - QB ALA 135 - HE2 LYS 85 lone 4 90 - 5 - QB ALA 135 - HE3 LYS 93 lone 4 94 - 4 - QB ALA 135 - HE2 LYS 93 lone 4 85 - 5 - 4.0/10324=1 HB2 LYS 123 - HE3 LYS 48 lone 4 96 - 4 - 4109/3.6=1 HB2 LEU 29 - HE3 LYS 93 lone 4 93 - 4 - HG2 LYS 93 - HE2 LYS 61 lone 4 57 - 6 - HG2 LYS 93 - HE3 LYS 61 lone 4 57 - 6 - HB2 LEU 29 - HE2 LYS 93 lone 3 84 - 4 - HD2 LYS 76 - HE2 LYS 48 lone 3 59 - 6 - HB2 LYS 123 - HE2 LYS 48 lone 3 78 - 4 - 4109/3.6=1 HB2 GLU 122 - HE3 LYS 61 lone 3 46 - 6 - HB2 GLU 122 - HE3 LYS 85 lone 3 81 - 3 - QB ALA 135 - HE3 LYS 48 lone 3 97 - 3 - 4.0/10324=1 HG3 LYS 85 - HE3 LYS 61 lone 3 65 - 4 - HB2 GLU 122 - HE2 LYS 61 lone 3 46 - 5 - HG3 LYS 85 - HE2 LYS 61 lone 2 65 - 4 - HB2 GLU 122 - HE2 LYS 85 lone 2 69 - 3 - QB ALA 135 - HE2 LYS 48 lone 2 79 - 3 - 4.0/10324=1 HB2 LEU 29 - HE3 LYS 48 lone 2 96 - 2 - HB2 LYS 123 - HE3 LYS 93 lone 2 93 - 2 - HB2 LYS 123 - HE2 LYS 93 lone 2 84 - 2 - HG3 PRO 57 - HE3 LYS 48 lone 1 98 - 1 - HB2 LEU 29 - HE2 LYS 48 lone 1 78 - 2 - QB ALA 135 - HE3 LYS 61 lone 1 64 - 2 - QB ALA 135 - HE2 LYS 61 lone 1 64 - 2 - HG3 PRO 57 - HE2 LYS 48 lone 1 80 - 1 - HB2 LYS 123 - HE3 LYS 61 lone 1 63 - 1 - HB2 GLU 122 - HE3 LYS 93 lone 1 74 - 1 - HB2 GLU 122 - HE2 LYS 93 lone 1 64 - 1 - HB2 LYS 123 - HE2 LYS 61 lone 1 63 - 1 - HD2 LYS 76 - HE3 LYS 61 lone 1 46 - 2 - HD2 LYS 76 - HE2 LYS 61 lone 1 46 - 1 - HG3 LYS 76 - HE3 LYS 61 lone 1 57 - 1 - HG3 LYS 76 - HE2 LYS 61 lone 1 57 - 1 - HB2 GLU 122 - HE3 LYS 48 lone 0 77 - 1 - HG3 PRO 57 - HE3 LYS 61 lone 0 65 - 1 - HG3 PRO 57 - HE2 LYS 61 lone 0 65 - 0 - HB2 GLU 122 - HE2 LYS 48 lone 0 59 - 0 - HB2 LEU 29 - HE3 LYS 61 lone 0 63 - 0 - HB2 LEU 29 - HE2 LYS 61 lone 0 63 - 0 - Peak 2665 from cnoeabs.peaks (1.57, 2.94, 41.80 ppm; 2.50 A): 4 out of 72 assignments used, quality = 1.00: * HD2 LYS 85 + HE3 LYS 85 OK 82 100 - 82 - 2.9=61, 2630/3.5=7...(32) HD2 LYS 85 + HE2 LYS 85 OK 75 92 - 82 - 2.9=61, 2630/3.5=7...(32) HD3 LYS 85 + HE3 LYS 85 OK 75 92 - 81 - 2.9=61, 2641/3.5=6...(32) HD3 LYS 85 + HE2 LYS 85 OK 65 80 - 81 - 2.9=61, 2641/3.5=6...(32) HD2 LYS 85 - HE3 LYS 93 OK 41 96 - 43 - 2635=3, 3.0/2663=3...(20) HD2 LYS 85 - HE2 LYS 93 OK 37 87 - 42 - 2634=3, 3.0/2663=2...(18) HD3 LYS 85 - HE3 LYS 93 OK 36 84 - 43 - 2646=3, 3.0/2663=3...(20) HD3 LYS 85 - HE2 LYS 93 OK 31 75 - 42 - 2645=3, 3.0/2663=2...(17) HD2 LYS 85 - HE3 LYS 48 OK 29 98 - 30 - 2635=2, 3.0/2663=2...(7) HD3 LYS 85 - HE3 LYS 48 OK 26 88 - 29 - 2646=2, 3.0/2663=2...(7) HD2 LYS 85 - HE2 LYS 48 OK 24 81 - 30 - 2634=2, 3.0/2652=2...(7) HG2 ARG 109 - HE3 LYS 85 OK 21 99 - 22 - 2610/3.5=2, 2621/3.5=2 HD3 LYS 85 - HE2 LYS 48 OK 20 69 - 29 - 2645=2, 3.0/2652=2...(7) HG2 ARG 109 - HE2 LYS 85 OK 19 89 - 22 - 2610/3.5=2, 2621/3.5=2 HG3 ARG 109 - HE3 LYS 85 OK 16 77 - 21 - 2611/3.5=2, 2622/3.5=2 HG3 ARG 109 - HE2 LYS 85 OK 14 65 - 21 - 2611/3.5=2, 2622/3.5=2 HB2 LEU 126 - HE3 LYS 85 OK 13 100 - 13 - 1.8/3102=1 HB2 LEU 126 - HE2 LYS 85 OK 12 91 - 13 - HG3 ARG 145 - HE3 LYS 85 lone 7 100 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 7 100 - 7 - HB2 LEU 66 - HE3 LYS 85 lone 7 99 - 7 - HG3 ARG 145 - HE2 LYS 85 lone 7 92 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 7 91 - 7 - HB2 LEU 66 - HE2 LYS 85 lone 7 89 - 7 - HB2 LEU 126 - HE3 LYS 93 lone 6 95 - 7 - 4277/5.1=2 HB2 LEU 126 - HE2 LYS 93 lone 5 86 - 6 - 4277/5.1=2 HB2 LEU 66 - HE3 LYS 48 lone 4 96 - 4 - HB2 LEU 126 - HE3 LYS 48 lone 4 98 - 4 - HB2 LEU 66 - HE2 LYS 48 lone 3 78 - 4 - HB2 LEU 126 - HE2 LYS 48 lone 3 80 - 4 - HB2 LEU 66 - HE3 LYS 93 lone 2 93 - 2 - HB2 LEU 66 - HE2 LYS 93 lone 2 84 - 2 - HG3 ARG 124 - HE3 LYS 85 lone 2 85 - 2 - HD2 LYS 85 - HE3 LYS 61 lone 2 65 - 2 - HG3 ARG 145 - HE3 LYS 48 lone 1 98 - 1 - HG2 ARG 145 - HE3 LYS 48 lone 1 98 - 1 - HG3 ARG 124 - HE2 LYS 85 lone 1 73 - 2 - HG3 ARG 124 - HE3 LYS 48 lone 1 81 - 2 - HD2 LYS 85 - HE2 LYS 61 lone 1 65 - 2 - HG2 ARG 109 - HE3 LYS 93 lone 1 93 - 1 - HG3 ARG 124 - HE3 LYS 93 lone 1 78 - 2 - HG3 ARG 145 - HE3 LYS 93 lone 1 96 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 95 - 1 - HG3 ARG 145 - HE2 LYS 48 lone 1 81 - 1 - HG2 ARG 145 - HE2 LYS 48 lone 1 80 - 1 - HG2 ARG 109 - HE2 LYS 93 lone 1 84 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 96 - 1 - HG3 ARG 124 - HE2 LYS 48 lone 1 62 - 2 - HG3 ARG 145 - HE2 LYS 93 lone 1 87 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 86 - 1 - HD3 LYS 85 - HE3 LYS 61 lone 1 55 - 2 - HG3 ARG 124 - HE2 LYS 93 lone 1 68 - 1 - HD3 LYS 85 - HE2 LYS 61 lone 1 55 - 2 - HG3 ARG 109 - HE3 LYS 93 lone 1 70 - 1 - HG3 ARG 109 - HE3 LYS 48 lone 1 73 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 78 - 1 - HG2 ARG 109 - HE3 LYS 61 lone 1 63 - 1 - HG3 ARG 109 - HE2 LYS 93 lone 1 61 - 1 - HB2 LEU 66 - HE3 LYS 61 lone 1 63 - 1 - HG2 ARG 109 - HE2 LYS 61 lone 1 63 - 1 - HG3 ARG 109 - HE2 LYS 48 lone 1 55 - 1 - HB2 LEU 66 - HE2 LYS 61 lone 1 63 - 1 - HG3 ARG 109 - HE3 LYS 61 lone 0 43 - 1 - HG3 ARG 109 - HE2 LYS 61 lone 0 43 - 1 - HG3 ARG 124 - HE3 LYS 61 lone 0 49 - 1 - HG3 ARG 124 - HE2 LYS 61 lone 0 49 - 0 - HB2 LEU 126 - HE3 LYS 61 lone 0 65 - 0 - HB2 LEU 126 - HE2 LYS 61 lone 0 65 - 0 - HG3 ARG 145 - HE3 LYS 61 lone 0 65 - 0 - HG2 ARG 145 - HE3 LYS 61 lone 0 65 - 0 - HG3 ARG 145 - HE2 LYS 61 lone 0 65 - 0 - HG2 ARG 145 - HE2 LYS 61 lone 0 65 - 0 - Peak 2666 from cnoeabs.peaks (1.57, 2.94, 41.80 ppm; 2.50 A): 4 out of 72 assignments used, quality = 1.00: * HD3 LYS 85 + HE3 LYS 85 OK 82 100 - 82 - 2.9=61, 2641/3.5=7...(32) HD3 LYS 85 + HE2 LYS 85 OK 75 92 - 82 - 2.9=61, 2641/3.5=7...(32) HD2 LYS 85 + HE3 LYS 85 OK 75 92 - 81 - 2.9=61, 2630/3.5=6...(32) HD2 LYS 85 + HE2 LYS 85 OK 65 80 - 81 - 2.9=61, 2630/3.5=6...(32) HD3 LYS 85 - HE3 LYS 93 OK 42 96 - 44 - 2646=3, 3.0/2663=3...(20) HD3 LYS 85 - HE2 LYS 93 OK 37 87 - 43 - 2645=3, 3.0/2663=2...(17) HD2 LYS 85 - HE3 LYS 93 OK 36 84 - 43 - 3.0/2663=3, 2635=3...(20) HD2 LYS 85 - HE2 LYS 93 OK 31 75 - 42 - 2634=2, 3.0/2663=2...(18) HD3 LYS 85 - HE3 LYS 48 OK 29 98 - 30 - 2646=2, 3.0/2663=2...(7) HD2 LYS 85 - HE3 LYS 48 OK 25 88 - 29 - 3.0/2663=2, 2635=2...(7) HD3 LYS 85 - HE2 LYS 48 OK 24 81 - 30 - 2645=2, 3.0/2652=2...(7) HG3 ARG 109 - HE3 LYS 85 OK 23 99 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HG3 ARG 109 - HE2 LYS 85 OK 20 89 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HD2 LYS 85 - HE2 LYS 48 OK 20 69 - 29 - 2634=2, 3.0/2652=2...(7) HG2 ARG 109 - HE3 LYS 85 OK 16 77 - 21 - 2610/3.5=2, 2621/3.5=2 HG2 ARG 109 - HE2 LYS 85 OK 13 65 - 21 - 2610/3.5=2, 2621/3.5=2 HB2 LEU 126 - HE3 LYS 85 OK 12 96 - 13 - 1.8/3102=1 HB2 LEU 126 - HE2 LYS 85 OK 11 85 - 12 - HB2 LEU 66 - HE3 LYS 85 lone 7 99 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 7 96 - 7 - HB2 LEU 66 - HE2 LYS 85 lone 7 89 - 7 - HG3 ARG 145 - HE3 LYS 85 lone 6 92 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 6 85 - 7 - HB2 LEU 126 - HE3 LYS 93 lone 6 90 - 7 - 4277/5.1=2 HG3 ARG 145 - HE2 LYS 85 lone 6 80 - 7 - HB2 LEU 126 - HE2 LYS 93 lone 5 80 - 6 - 4277/5.1=2 HB2 LEU 66 - HE3 LYS 48 lone 4 96 - 4 - HB2 LEU 126 - HE3 LYS 48 lone 3 93 - 3 - HB2 LEU 66 - HE2 LYS 48 lone 3 78 - 4 - HB2 LEU 126 - HE2 LYS 48 lone 3 74 - 4 - HG3 ARG 124 - HE3 LYS 85 lone 2 100 - 2 - HB2 LEU 66 - HE3 LYS 93 lone 2 93 - 2 - HG3 ARG 109 - HE3 LYS 48 lone 2 96 - 2 - HG3 ARG 124 - HE2 LYS 85 lone 2 91 - 2 - HB2 LEU 66 - HE2 LYS 93 lone 2 84 - 2 - HG3 ARG 124 - HE3 LYS 48 lone 2 98 - 2 - HG3 ARG 124 - HE3 LYS 93 lone 2 95 - 2 - HG3 ARG 109 - HE3 LYS 93 lone 2 93 - 2 - HG3 ARG 109 - HE2 LYS 48 lone 2 78 - 2 - HG3 ARG 124 - HE2 LYS 48 lone 2 80 - 2 - HG3 ARG 109 - HE2 LYS 93 lone 1 84 - 2 - HG3 ARG 124 - HE2 LYS 93 lone 1 86 - 2 - HG2 ARG 145 - HE3 LYS 48 lone 1 93 - 1 - HG3 ARG 145 - HE3 LYS 48 lone 1 88 - 1 - HD3 LYS 85 - HE3 LYS 61 lone 1 65 - 2 - HD3 LYS 85 - HE2 LYS 61 lone 1 65 - 2 - HD2 LYS 85 - HE3 LYS 61 lone 1 55 - 2 - HG2 ARG 145 - HE3 LYS 93 lone 1 90 - 1 - HD2 LYS 85 - HE2 LYS 61 lone 1 55 - 2 - HG2 ARG 145 - HE2 LYS 48 lone 1 74 - 1 - HB2 LEU 66 - HE3 LYS 61 lone 1 63 - 2 - HG3 ARG 145 - HE3 LYS 93 lone 1 84 - 1 - HG3 ARG 109 - HE3 LYS 61 lone 1 63 - 2 - HG3 ARG 145 - HE2 LYS 48 lone 1 69 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 80 - 1 - HG3 ARG 109 - HE2 LYS 61 lone 1 63 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 70 - 1 - HG3 ARG 145 - HE2 LYS 93 lone 1 75 - 1 - HB2 LEU 66 - HE2 LYS 61 lone 1 63 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 73 - 1 - HG2 ARG 109 - HE2 LYS 93 lone 1 61 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 55 - 1 - HG3 ARG 124 - HE3 LYS 61 lone 0 65 - 1 - HG3 ARG 124 - HE2 LYS 61 lone 0 65 - 1 - HG2 ARG 109 - HE3 LYS 61 lone 0 43 - 1 - HG2 ARG 109 - HE2 LYS 61 lone 0 43 - 1 - HB2 LEU 126 - HE3 LYS 61 lone 0 59 - 0 - HB2 LEU 126 - HE2 LYS 61 lone 0 59 - 0 - HG2 ARG 145 - HE3 LYS 61 lone 0 59 - 0 - HG2 ARG 145 - HE2 LYS 61 lone 0 59 - 0 - HG3 ARG 145 - HE3 LYS 61 lone 0 55 - 0 - HG3 ARG 145 - HE2 LYS 61 lone 0 55 - 0 - Peak 2667 from cnoeabs.peaks (2.95, 2.94, 41.80 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: HE3 LYS 85 + HE3 LYS 85 OK 98 98 - 100 HE3 LYS 48 + HE3 LYS 48 OK 98 98 - 100 HE2 LYS 85 + HE2 LYS 85 OK 92 92 - 100 HE2 LYS 93 + HE2 LYS 93 OK 87 87 - 100 HE3 LYS 93 + HE3 LYS 93 OK 81 81 - 100 HE2 LYS 48 + HE2 LYS 48 OK 80 80 - 100 HE2 LYS 61 - HE2 LYS 61 OK 37 37 - 100 HE3 LYS 61 - HE3 LYS 61 OK 37 37 - 100 Reference assignment not found: HE2 LYS 85 - HE3 LYS 85 Peak 2668 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 85 + HE3 LYS 85 OK 100 100 - 100 HE3 LYS 48 + HE3 LYS 48 OK 97 97 - 100 HE3 LYS 93 + HE3 LYS 93 OK 93 93 - 100 HE2 LYS 85 + HE2 LYS 85 OK 87 87 - 100 HE2 LYS 93 + HE2 LYS 93 OK 80 80 - 100 HE2 LYS 48 + HE2 LYS 48 OK 71 71 - 100 HE2 LYS 61 + HE2 LYS 61 OK 52 52 - 100 HE3 LYS 61 + HE3 LYS 61 OK 52 52 - 100 Peak 2670 from cnoeabs.peaks (7.55, 3.93, 57.01 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HD21 ASN 54 - HA LYS 86 OK 31 100 - 31 - 2681/3.0=6, 2692/3.0=6...(8) Peak 2671 from cnoeabs.peaks (3.93, 3.93, 57.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2672 from cnoeabs.peaks (1.92, 3.93, 57.01 ppm; 3.57 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HG13 ILE 83 - HA LYS 86 OK 41 100 - 41 - 2672=6, 9991/10053=5...(16) HG3 PRO 12 - HA LYS 86 OK 38 94 - 41 - 2.3/10050=8, 2672=8...(16) HG2 PRO 12 - HA LYS 86 OK 33 85 - 39 - 2.3/10050=8, 1.8/2672=6...(16) HB3 LEU 69 - HA LYS 86 OK 28 81 - 34 - 1.8/2674=5, 2694/3.0=3...(16) HB3 LEU 132 - HA LYS 86 OK 26 92 - 29 - ~8868=3, 2694/3.0=3...(14) HB ILE 136 - HA LYS 86 OK 19 99 - 19 - ~9672=4, ~9672=2...(7) QE MET 68 - HA LYS 86 OK 16 89 - 18 - 2672=3, 6980/3.0=2...(7) HB2 PRO 118 - HA LYS 86 OK 11 98 - 11 - 2672=2, 2694/3.0=1 HB2 MET 59 - HA LYS 86 OK 10 100 - 10 - 2672=1 HB2 ARG 140 - HA LYS 86 lone 6 81 - 7 - 2672=1 HB2 GLN 62 - HA LYS 86 lone 3 85 - 4 - HB ILE 101 - HA LYS 86 lone 2 62 - 4 - 6992/3.6=1 Peak 2673 from cnoeabs.peaks (2.18, 3.93, 57.01 ppm; 3.63 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HG2 PRO 129 + HA LYS 86 OK 84 99 - 85 - 4397=15, 2684/3.0=10...(32) HB3 PRO 57 + HA LYS 86 OK 55 100 - 55 - 2673=8, 2684/3.0=6...(23) HB2 GLN 25 - HA LYS 86 OK 21 68 - 31 - 2673=4, 2684/3.0=3...(13) HB2 MET 113 - HA LYS 86 OK 11 68 - 15 - 2673=2, 2684/3.0=1...(5) HB2 MET 46 - HA LYS 86 poor 9 68 - 13 - 2673=2, 2684/3.0=1...(4) Peak 2674 from cnoeabs.peaks (1.39, 3.93, 57.01 ppm; 3.61 A): 1 out of 8 assignments used, quality = 0.98: * HG2 LYS 86 + HA LYS 86 OK 98 100 - 98 - 3.9=80, 1.8/2675=22...(30) HG2 ARG 49 - HA LYS 86 OK 41 99 - 42 - 2696/3.0=6, 2674=5...(14) HB2 LEU 69 - HA LYS 86 OK 34 94 - 36 - 2674=6, 2685/3.0=5...(13) HB2 ARG 109 - HA LYS 86 OK 27 85 - 32 - 2.8/10745=6, 2674=5...(10) HG LEU 132 - HA LYS 86 OK 21 72 - 29 - 2674=4, 2685/3.0=3...(14) HG LEU 116 - HA LYS 86 poor 8 77 - 10 - 3.0/9395=2, 4.9/9381=2...(4) HB3 LEU 39 - HA LYS 86 lone 6 68 - 9 - 4.3/8867=2, 2674=1 HB2 ARG 35 - HA LYS 86 lone 3 68 - 4 - 6994/3.6=1 Peak 2675 from cnoeabs.peaks (1.47, 3.93, 57.01 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.96: * HG3 LYS 86 + HA LYS 86 OK 96 100 - 96 - 3.9=75, 6983/3.0=18...(30) HG LEU 126 - HA LYS 86 OK 35 98 - 36 - 2675=8, 2697/3.0=6...(8) HB2 LYS 76 - HA LYS 86 OK 24 85 - 28 - 6983/3.0=5, 6995/3.6=5...(10) QB ALA 134 - HA LYS 86 poor 9 81 - 11 - 2686/3.0=2, 6983/3.0=2...(4) Peak 2676 from cnoeabs.peaks (1.70, 3.93, 57.01 ppm; 4.07 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 98 100 - 98 - 5.4=44, 2730/3.9=22...(46) HB2 LYS 85 + HA LYS 86 OK 77 100 - 77 - 3.9/8867=15, 4.6/6979=13...(18) HB3 LEU 95 + HA LYS 86 OK 51 100 - 51 - 2676=11, 2687/3.0=10...(12) HB ILE 58 - HA LYS 86 OK 25 100 - 25 - 6984/3.0=4, 6996/3.6=4...(11) HG LEU 26 - HA LYS 86 OK 15 77 - 19 - 2676=4, 2687/3.0=3...(8) Peak 2677 from cnoeabs.peaks (1.80, 3.93, 57.01 ppm; 4.06 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HA LYS 86 OK 98 100 - 98 - 5.4=43, 3.0/2675=20...(46) HD3 LYS 34 + HA LYS 86 OK 68 92 - 74 - 2677=9, 2699/3.0=9...(32) HD2 LYS 34 + HA LYS 86 OK 68 92 - 74 - 2677=9, 2699/3.0=9...(32) HB3 LEU 72 - HA LYS 86 OK 22 92 - 24 - 3.4/8867=5, 2677=3...(9) HB3 LYS 24 - HA LYS 86 OK 15 100 - 15 - 2699/3.0=2, 2688/3.0=2...(6) HB2 ARG 124 - HA LYS 86 lone 10 100 - 10 - 2721/3.9=1, 2699/3.0=1...(4) HB2 MET 11 - HA LYS 86 lone 6 62 - 10 - 4.8/10050=7 HB3 ARG 145 - HA LYS 86 lone 5 89 - 5 - Peak 2678 from cnoeabs.peaks (3.06, 3.93, 57.01 ppm; 4.56 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=38, 3.9/2675=20...(43) HE3 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=38, 3.9/2675=20...(43) HE3 LYS 34 + HA LYS 86 OK 75 96 - 77 - 2.9/2677=9, 2.9/2677=9...(30) HE2 LYS 34 + HA LYS 86 OK 68 85 - 79 - 2.9/2677=9, 2.9/2677=9...(32) HD3 ARG 49 - HA LYS 86 OK 27 68 - 41 - 3.0/2674=7, ~2696=4...(17) HB3 TRP 88 - HA LYS 86 OK 14 100 - 14 - 6999/3.6=4, 11572/8873=1...(6) HB3 ASP 30 - HA LYS 86 OK 10 100 - 10 - 3.8/6130=3, 2678=1 HB2 TYR 27 - HA LYS 86 lone 8 98 - 8 - 2701/3.0=1, 2690/3.0=1 HB2 HIS 10 - HA LYS 86 lone 1 72 - 1 - Peak 2679 from cnoeabs.peaks (3.06, 3.93, 57.01 ppm; 4.91 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=47, 3.9/2675=22...(43) HE2 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=47, 3.9/2675=22...(43) HE3 LYS 34 + HA LYS 86 OK 80 98 - 82 - 2.9/2677=9, 2.9/2677=9...(30) HE2 LYS 34 + HA LYS 86 OK 74 89 - 84 - 2.9/2677=9, 2.9/2677=9...(32) HD3 ARG 49 - HA LYS 86 OK 28 62 - 45 - 3.0/2674=8, ~2696=5...(17) HB3 TRP 88 - HA LYS 86 OK 16 99 - 16 - 6999/3.6=5, 11572/8873=2...(6) HB3 ASP 30 - HA LYS 86 OK 12 99 - 12 - 3.8/6130=3, 2678=1 HB2 TYR 27 - HA LYS 86 lone 10 99 - 10 - 2701/3.0=1, 2690/3.0=1, 2679=1 HB2 HIS 10 - HA LYS 86 lone 1 77 - 2 - Peak 2680 from cnoeabs.peaks (8.12, 3.93, 57.01 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 87 + HA LYS 86 OK 100 100 - 100 - 3.6=100 H TYR 115 - HA LYS 86 OK 22 100 - 22 - 6988/3.0=5, 2724/3.9=3...(8) Peak 2681 from cnoeabs.peaks (7.55, 1.92, 28.31 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 86 + HB2 LYS 86 OK 99 100 - 99 - 4.0=92, 6983/2.9=22...(28) HD21 ASN 54 + HB2 LYS 86 OK 55 100 - 55 - 2692/1.8=13, 2714/2.9=11...(10) Peak 2682 from cnoeabs.peaks (3.93, 1.92, 28.31 ppm; 3.75 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.0=100 HD2 PRO 129 + HB2 LYS 86 OK 80 85 - 94 - 2.3/2684=13, 2693/1.8=11...(53) HD3 PRO 129 + HB2 LYS 86 OK 79 85 - 93 - 2.3/2684=13, 2693/1.8=11...(49) HA2 GLY 143 - HB2 LYS 86 OK 20 100 - 20 - 2693/1.8=3, 2704/2.9=2...(7) HA LEU 29 - HB2 LYS 86 OK 17 89 - 20 - 2693/1.8=3, ~356=2...(11) Peak 2683 from cnoeabs.peaks (1.92, 1.92, 28.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 Peak 2684 from cnoeabs.peaks (2.18, 1.92, 28.31 ppm; 2.91 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 1.8=100 HG2 PRO 129 + HB2 LYS 86 OK 77 99 - 78 - 2.3/2682=7, ~4402=6...(43) HB3 PRO 57 + HB2 LYS 86 OK 46 100 - 46 - 2706/2.9=4, 2717/2.9=4...(21) HB2 GLN 25 - HB2 LYS 86 OK 16 68 - 23 - ~212=3, 2694=2, ~220=2...(12) HB2 MET 113 - HB2 LYS 86 poor 8 68 - 11 - ~3700=1 HB2 MET 46 - HB2 LYS 86 lone 7 68 - 9 - Peak 2685 from cnoeabs.peaks (1.39, 1.92, 28.31 ppm; 3.55 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 ARG 49 + HB2 LYS 86 OK 53 99 - 54 - 2696/1.8=7, 2718/2.9=6...(22) HB2 LEU 69 + HB2 LYS 86 OK 48 94 - 51 - 2696/1.8=6, 2718/2.9=5...(30) HB2 ARG 109 - HB2 LYS 86 OK 30 85 - 35 - 1.8/11118=5, ~10745=4...(16) HG LEU 132 - HB2 LYS 86 OK 28 72 - 39 - 2696/1.8=3, ~10301=3...(21) HG LEU 116 - HB2 LYS 86 poor 9 77 - 11 - ~9395=1, 2696/1.8=1 HB3 LEU 39 - HB2 LYS 86 poor 7 68 - 11 - HB2 ARG 35 - HB2 LYS 86 lone 4 68 - 5 - Peak 2686 from cnoeabs.peaks (1.47, 1.92, 28.31 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 2.9=100 HG LEU 126 - HB2 LYS 86 OK 43 98 - 44 - 2697/1.8=9, 2708/2.9=7...(17) HB2 LYS 76 - HB2 LYS 86 OK 23 85 - 27 - 2697/1.8=5, 2675/3.0=4...(8) QB ALA 134 - HB2 LYS 86 OK 12 81 - 14 - 2697/1.8=2, 4.0/9644=2...(7) Peak 2687 from cnoeabs.peaks (1.70, 1.92, 28.31 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.98: * HD2 LYS 86 + HB2 LYS 86 OK 98 100 - 98 - 3.5=75, 2730/2.9=19...(74) HB3 LEU 95 - HB2 LYS 86 OK 44 100 - 45 - 2720/2.9=7, 2709/2.9=7...(19) HB2 LYS 85 - HB2 LYS 86 OK 40 100 - 41 - 4.6/2681=8, 2698/1.8=6...(11) HB ILE 58 - HB2 LYS 86 OK 17 100 - 16 - 2698/1.8=3, 2720/2.9=2...(8) HG LEU 26 - HB2 LYS 86 OK 12 77 - 16 - 2698/1.8=2, 2709/2.9=2...(5) Peak 2688 from cnoeabs.peaks (1.80, 1.92, 28.31 ppm; 3.55 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.5=100 HD3 LYS 34 + HB2 LYS 86 OK 77 92 - 84 - 2699/1.8=9, 2721/2.9=8...(63) HD2 LYS 34 + HB2 LYS 86 OK 77 92 - 84 - 2699/1.8=9, 2721/2.9=8...(63) HB3 LEU 72 - HB2 LYS 86 OK 19 92 - 20 - 2699/1.8=2, 2677/3.0=2...(9) HB3 LYS 24 - HB2 LYS 86 OK 16 100 - 16 - 2699/1.8=2, 10885/3.5=2...(6) HB2 ARG 124 - HB2 LYS 86 OK 11 100 - 11 - 2721/2.9=2, 2699/1.8=1 HB3 ARG 145 - HB2 LYS 86 lone 5 89 - 5 - HB2 MET 11 - HB2 LYS 86 lone 4 62 - 6 - 4.8/64=2, 4.8/56=2 Peak 2689 from cnoeabs.peaks (3.06, 1.92, 28.31 ppm; 4.31 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=69, 3.0/2687=21...(71) HE3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=69, 3.0/2687=21...(69) HE3 LYS 34 + HB2 LYS 86 OK 89 96 - 92 - 2.9/2688=9, 2.9/2688=9...(60) HE2 LYS 34 + HB2 LYS 86 OK 80 85 - 94 - 2.9/2688=9, 2.9/2688=9...(67) HD3 ARG 49 - HB2 LYS 86 OK 35 68 - 52 - 3.0/2685=7, ~1287=5...(24) HB3 TRP 88 - HB2 LYS 86 OK 13 100 - 13 - 4.0/8934=4, 6999/4.6=3 HB2 TYR 27 - HB2 LYS 86 OK 13 98 - 13 - ~8043=4, ~10807=2...(5) HB3 ASP 30 - HB2 LYS 86 lone 8 100 - 8 - 2733/3.5=1, 2744/3.5=1 HB2 HIS 10 - HB2 LYS 86 lone 1 72 - 1 - Peak 2690 from cnoeabs.peaks (3.06, 1.92, 28.31 ppm; 4.35 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=71, 3.0/2687=21...(69) HE2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=71, 3.0/2687=21...(71) HE3 LYS 34 + HB2 LYS 86 OK 91 98 - 93 - 2.9/2688=10, 2.9/2688=10...(60) HE2 LYS 34 + HB2 LYS 86 OK 84 89 - 94 - 2.9/2688=10, 2.9/2688=10...(67) HD3 ARG 49 - HB2 LYS 86 OK 33 62 - 53 - 3.0/2685=7, ~1287=5...(24) HB2 TYR 27 - HB2 LYS 86 OK 13 99 - 13 - ~8043=4, ~10807=2...(5) HB3 TRP 88 - HB2 LYS 86 OK 13 99 - 13 - 4.0/8934=4, 6999/4.6=3 HB3 ASP 30 - HB2 LYS 86 lone 8 99 - 8 - 2733/3.5=1, 2744/3.5=1 HB2 HIS 10 - HB2 LYS 86 lone 1 77 - 1 - Peak 2692 from cnoeabs.peaks (7.55, 2.18, 28.31 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.0=100 HD21 ASN 54 + HB3 LYS 86 OK 58 100 - 58 - 2681/1.8=14, 2714/2.9=12...(10) Peak 2693 from cnoeabs.peaks (3.93, 2.18, 28.31 ppm; 3.35 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.0=100 HD2 PRO 129 + HB3 LYS 86 OK 77 85 - 90 - 2.3/4402=12, 1.8/4362=10...(50) HD3 PRO 129 + HB3 LYS 86 OK 75 85 - 88 - 2.3/4402=12, 1.8/4354=10...(46) HA LEU 29 - HB3 LYS 86 OK 21 89 - 24 - 4.0/8875=8, 2682/1.8=2...(9) HA2 GLY 143 - HB3 LYS 86 OK 20 100 - 20 - 2682/1.8=2, 2704/2.9=2...(8) Peak 2694 from cnoeabs.peaks (1.92, 2.18, 28.31 ppm; 2.95 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 1.8=100 HB3 LEU 69 - HB3 LYS 86 OK 31 81 - 38 - 1.8/2696=4, ~2685=3...(19) HG3 PRO 12 - HB3 LYS 86 OK 30 94 - 32 - 2716/2.9=3, 2672/3.0=3...(14) HG2 PRO 12 - HB3 LYS 86 OK 29 85 - 35 - 96/1.8=3, ~10050=3...(19) HG13 ILE 83 - HB3 LYS 86 OK 27 100 - 27 - 10761/3.5=3, 2705/2.9=3...(15) HB3 LEU 132 - HB3 LYS 86 OK 24 92 - 27 - 3.2/10301=3, 2716/2.9=2...(10) HB ILE 136 - HB3 LYS 86 OK 14 99 - 14 - 2.5/9672=4, 2705/2.9=1...(4) QE MET 68 - HB3 LYS 86 poor 10 89 - 11 - 2705/2.9=1, 2672/3.0=1...(5) HB2 MET 59 - HB3 LYS 86 lone 8 100 - 8 - HB2 PRO 118 - HB3 LYS 86 lone 8 98 - 8 - HB2 ARG 140 - HB3 LYS 86 lone 4 81 - 5 - HB2 GLN 62 - HB3 LYS 86 lone 3 85 - 3 - HB ILE 101 - HB3 LYS 86 lone 2 62 - 3 - Peak 2695 from cnoeabs.peaks (2.18, 2.18, 28.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 Peak 2696 from cnoeabs.peaks (1.39, 2.18, 28.31 ppm; 3.47 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 ARG 49 + HB3 LYS 86 OK 52 99 - 53 - 2685/1.8=7, 2718/2.9=6...(24) HB2 LEU 69 - HB3 LYS 86 OK 44 94 - 47 - 2685/1.8=6, 2718/2.9=5...(28) HB2 ARG 109 - HB3 LYS 86 OK 28 85 - 33 - ~10745=4, ~11118=4...(16) HG LEU 132 - HB3 LYS 86 OK 25 72 - 35 - 2.1/10301=5, 2685/1.8=4...(17) HG LEU 116 - HB3 LYS 86 lone 8 77 - 10 - 2685/1.8=1, ~9395=1 HB3 LEU 39 - HB3 LYS 86 lone 6 68 - 9 - HB2 ARG 35 - HB3 LYS 86 lone 3 68 - 4 - Peak 2697 from cnoeabs.peaks (1.47, 2.18, 28.31 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 2.9=100 HG LEU 126 - HB3 LYS 86 OK 42 98 - 43 - 2686/1.8=9, 2708/2.9=6...(17) HB2 LYS 76 - HB3 LYS 86 OK 24 85 - 28 - 2686/1.8=5, 2675/3.0=4...(10) QB ALA 134 - HB3 LYS 86 OK 10 81 - 12 - 2686/1.8=2, 2675/3.0=2...(6) Peak 2698 from cnoeabs.peaks (1.70, 2.18, 28.31 ppm; 3.51 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HB3 LEU 95 + HB3 LYS 86 OK 54 100 - 54 - 2687/1.8=10, 2720/2.9=8...(23) HB2 LYS 85 + HB3 LYS 86 OK 48 100 - 48 - 2687/1.8=8, 4.6/6981=7...(15) HB ILE 58 - HB3 LYS 86 OK 20 100 - 20 - 2687/1.8=3, 6984/4.0=2...(8) HG LEU 26 - HB3 LYS 86 OK 17 77 - 22 - 2687/1.8=3, 2709/2.9=3...(6) Peak 2699 from cnoeabs.peaks (1.80, 2.18, 28.31 ppm; 3.48 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HD2 LYS 34 + HB3 LYS 86 OK 76 92 - 83 - 2688/1.8=9, 2721/2.9=8...(59) HD3 LYS 34 + HB3 LYS 86 OK 76 92 - 83 - 2688/1.8=9, 2721/2.9=8...(59) HB3 LEU 72 - HB3 LYS 86 OK 18 92 - 19 - 2688/1.8=2, 2677/3.0=2...(6) HB3 LYS 24 - HB3 LYS 86 OK 17 100 - 16 - 2688/1.8=2, 10885/3.5=2...(6) HB2 ARG 124 - HB3 LYS 86 OK 11 100 - 11 - 2721/2.9=1, 2688/1.8=1 HB3 ARG 145 - HB3 LYS 86 lone 5 89 - 5 - HB2 MET 11 - HB3 LYS 86 lone 2 62 - 3 - Peak 2700 from cnoeabs.peaks (3.06, 2.18, 28.31 ppm; 4.47 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=77, 3.0/2728=18...(76) HE3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=77, 3.0/2728=18...(74) HE3 LYS 34 + HB3 LYS 86 OK 90 96 - 93 - 2.9/2699=10, 2.9/2699=10...(59) HE2 LYS 34 + HB3 LYS 86 OK 81 85 - 95 - 2.9/2699=10, 2.9/2699=10...(66) HD3 ARG 49 - HB3 LYS 86 OK 37 68 - 55 - 3.0/2696=8, ~1287=5...(24) HB2 TYR 27 - HB3 LYS 86 OK 15 98 - 15 - ~8043=4, ~10807=2...(7) HB3 TRP 88 - HB3 LYS 86 lone 10 100 - 10 - 6999/4.6=3, 2689/1.8=1 HB3 ASP 30 - HB3 LYS 86 lone 9 100 - 8 - 2733/3.5=1, 2744/3.5=1 HB2 HIS 10 - HB3 LYS 86 lone 1 72 - 2 - Peak 2701 from cnoeabs.peaks (3.06, 2.18, 28.31 ppm; 4.50 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=79, 3.0/2728=18...(74) HE2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=79, 3.0/2728=18...(76) HE3 LYS 34 + HB3 LYS 86 OK 92 98 - 94 - 2.9/2699=10, 2.9/2699=10...(59) HE2 LYS 34 + HB3 LYS 86 OK 85 89 - 95 - 2.9/2699=10, 2.9/2699=10...(66) HD3 ARG 49 - HB3 LYS 86 OK 34 62 - 55 - 3.0/2696=8, ~1287=5...(24) HB2 TYR 27 - HB3 LYS 86 OK 15 99 - 15 - ~8043=4, ~10807=2...(8) HB3 TRP 88 - HB3 LYS 86 poor 10 99 - 10 - 6999/4.6=3, 2689/1.8=1 HB3 ASP 30 - HB3 LYS 86 lone 9 99 - 8 - 2733/3.5=1, 2744/3.5=1 HB2 HIS 10 - HB3 LYS 86 lone 1 77 - 2 - Peak 2703 from cnoeabs.peaks (7.55, 1.39, 24.82 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.97: * H LYS 86 + HG2 LYS 86 OK 95 100 - 95 - 4.9=46, 6983/1.8=26...(25) HD21 ASN 54 + HG2 LYS 86 OK 52 100 - 52 - 2714/1.8=13, 2681/2.9=10...(10) Peak 2704 from cnoeabs.peaks (3.93, 1.39, 24.82 ppm; 3.67 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 98 100 - 98 - 3.9=84, 2675/1.8=23...(30) HD2 PRO 129 + HG2 LYS 86 OK 74 85 - 87 - 2715/1.8=10, 2.3/2706=10...(37) HD3 PRO 129 + HG2 LYS 86 OK 71 85 - 83 - 2715/1.8=12, 2.3/2706=10...(32) HA2 GLY 143 - HG2 LYS 86 OK 19 100 - 19 - 2715/1.8=3, 2693/2.9=2...(8) HA LEU 29 - HG2 LYS 86 OK 10 89 - 12 - 2693/2.9=2, 2682/2.9=2...(5) Peak 2705 from cnoeabs.peaks (1.92, 1.39, 24.82 ppm; 3.16 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 2.9=100 HB3 LEU 69 - HG2 LYS 86 OK 36 81 - 45 - 2716/1.8=4, ~2718=3...(24) HG13 ILE 83 - HG2 LYS 86 OK 35 100 - 36 - 2.1/10005=5, 3.2/11043=4...(11) HG3 PRO 12 - HG2 LYS 86 OK 29 94 - 31 - 2716/1.8=4, 2738/3.0=3...(13) HG2 PRO 12 - HG2 LYS 86 OK 29 85 - 34 - 2716/1.8=3, ~2716=3...(17) HB3 LEU 132 - HG2 LYS 86 OK 27 92 - 29 - 2716/1.8=3, 2694/2.9=2...(13) HB ILE 136 - HG2 LYS 86 OK 16 99 - 16 - ~9672=3, ~9672=2...(6) QE MET 68 - HG2 LYS 86 OK 12 89 - 13 - 2716/1.8=2, 2738/3.0=2...(7) HB2 PRO 118 - HG2 LYS 86 lone 8 98 - 8 - 2716/1.8=1 HB2 MET 59 - HG2 LYS 86 lone 8 100 - 8 - HB2 ARG 140 - HG2 LYS 86 lone 5 81 - 6 - HB ILE 101 - HG2 LYS 86 lone 2 62 - 3 - HB2 GLN 62 - HG2 LYS 86 lone 2 85 - 2 - Peak 2706 from cnoeabs.peaks (2.18, 1.39, 24.82 ppm; 3.61 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HG2 LYS 86 OK 83 99 - 84 - 2717/1.8=11, 2684/2.9=11...(32) HB3 PRO 57 + HG2 LYS 86 OK 60 100 - 60 - 2717/1.8=8, 2739/3.0=7...(26) HB2 GLN 25 - HG2 LYS 86 OK 20 68 - 30 - 2684/2.9=3, 2717/1.8=3...(12) HB2 MET 113 - HG2 LYS 86 OK 10 68 - 15 - 2717/1.8=2, 2684/2.9=2...(6) HB2 MET 46 - HG2 LYS 86 poor 10 68 - 14 - 2717/1.8=2, 2739/3.0=1...(5) Peak 2707 from cnoeabs.peaks (1.39, 1.39, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2708 from cnoeabs.peaks (1.47, 1.39, 24.82 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 1.8=100 HG LEU 126 - HG2 LYS 86 OK 24 98 - 24 - 2741/3.0=3, 2730/3.0=3...(10) HB2 LYS 76 - HG2 LYS 86 OK 12 85 - 13 - 2697/2.9=2, 2686/2.9=2...(6) QB ALA 134 - HG2 LYS 86 lone 4 81 - 5 - Peak 2709 from cnoeabs.peaks (1.70, 1.39, 24.82 ppm; 2.95 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=98, 2730/1.8=23...(53) HB3 LEU 95 - HG2 LYS 86 OK 43 100 - 43 - 2720/1.8=8, 2742/3.0=6...(17) HB2 LYS 85 - HG2 LYS 86 OK 35 100 - 36 - 4.6/2703=7, 2720/1.8=6...(12) HB ILE 58 - HG2 LYS 86 OK 13 100 - 13 - 2720/1.8=2, 2687/2.9=2...(6) HG LEU 26 - HG2 LYS 86 OK 12 77 - 15 - 2720/1.8=3, 2742/3.0=2...(4) Peak 2710 from cnoeabs.peaks (1.80, 1.39, 24.82 ppm; 3.19 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 34 + HG2 LYS 86 OK 70 92 - 76 - 2721/1.8=9, 2732/3.0=7...(49) HD2 LYS 34 + HG2 LYS 86 OK 70 92 - 76 - 2721/1.8=9, 2732/3.0=7...(49) HB3 LYS 24 - HG2 LYS 86 OK 14 100 - 14 - 2721/1.8=2, 10885/3.0=2...(5) HB3 LEU 72 - HG2 LYS 86 OK 13 92 - 14 - 2721/1.8=2, 2688/2.9=1...(4) HB2 ARG 124 - HG2 LYS 86 OK 10 100 - 10 - 2721/1.8=2 HB3 ARG 145 - HG2 LYS 86 lone 5 89 - 5 - HB2 MET 11 - HG2 LYS 86 lone 1 62 - 2 - Peak 2711 from cnoeabs.peaks (3.06, 1.39, 24.82 ppm; 3.57 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HG2 LYS 86 OK 99 100 - 99 - 3.9=78, 3.0/2729=17...(58) HE3 LYS 86 + HG2 LYS 86 OK 99 100 - 99 - 3.9=78, 3.0/2729=17...(56) HE3 LYS 34 + HG2 LYS 86 OK 79 96 - 82 - 2.9/2710=8, 2.9/2710=8...(53) HE2 LYS 34 + HG2 LYS 86 OK 72 85 - 84 - 2.9/2710=8, 2.9/2710=8...(58) HD3 ARG 49 - HG2 LYS 86 OK 30 68 - 45 - 1.8/1287=7, 3.0/1278=4...(22) HB3 TRP 88 - HG2 LYS 86 lone 10 100 - 10 - 4.0/11674=4 HB2 TYR 27 - HG2 LYS 86 lone 9 98 - 10 - ~8043=3, ~10807=1, 2734/3.0=1 HB3 ASP 30 - HG2 LYS 86 lone 6 100 - 6 - 2733/3.0=1, 2744/3.0=1 HB2 HIS 10 - HG2 LYS 86 lone 1 72 - 1 - Peak 2712 from cnoeabs.peaks (3.06, 1.39, 24.82 ppm; 3.45 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 86 + HG2 LYS 86 OK 98 100 - 98 - 3.9=71, 3.0/2729=16...(58) * HE3 LYS 86 + HG2 LYS 86 OK 98 100 - 98 - 3.9=71, 3.0/2729=16...(56) HE3 LYS 34 + HG2 LYS 86 OK 78 98 - 79 - 2.9/2710=7, 2.9/2710=7...(53) HE2 LYS 34 + HG2 LYS 86 OK 73 89 - 82 - 2.9/2710=7, 2.9/2710=7...(58) HD3 ARG 49 - HG2 LYS 86 OK 26 62 - 42 - 1.8/1287=6, 3.0/1278=4...(22) HB3 TRP 88 - HG2 LYS 86 lone 9 99 - 9 - 4.0/11674=4 HB2 TYR 27 - HG2 LYS 86 lone 9 99 - 9 - ~8043=2, ~10807=1 HB3 ASP 30 - HG2 LYS 86 lone 6 99 - 6 - HB2 HIS 10 - HG2 LYS 86 lone 1 77 - 1 - Peak 2714 from cnoeabs.peaks (7.55, 1.47, 24.82 ppm; 3.72 A): 2 out of 2 assignments used, quality = 0.97: * H LYS 86 + HG3 LYS 86 OK 93 100 - 93 - 4.9=44, 2703/1.8=23...(23) HD21 ASN 54 + HG3 LYS 86 OK 51 100 - 51 - 2703/1.8=13, 2681/2.9=10...(10) Peak 2715 from cnoeabs.peaks (3.93, 1.47, 24.82 ppm; 3.59 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 97 100 - 97 - 3.9=79, 3.0/6983=19...(30) HD2 PRO 129 + HG3 LYS 86 OK 73 85 - 85 - 2704/1.8=10, 2.3/2717=9...(36) HD3 PRO 129 + HG3 LYS 86 OK 69 85 - 81 - 2.3/2717=9, 2704/1.8=9...(31) HA2 GLY 143 - HG3 LYS 86 OK 17 100 - 17 - 2704/1.8=3, 2693/2.9=2...(8) HA LEU 29 - HG3 LYS 86 poor 9 89 - 11 - 2693/2.9=2, 2682/2.9=2...(5) Peak 2716 from cnoeabs.peaks (1.92, 1.47, 24.82 ppm; 3.18 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 2.9=100 HB3 LEU 69 - HG3 LYS 86 OK 36 81 - 44 - 1.8/2718=6, 2705/1.8=4...(24) HG13 ILE 83 - HG3 LYS 86 OK 30 100 - 30 - 2705/1.8=4, 10761/3.0=4...(11) HG3 PRO 12 - HG3 LYS 86 OK 29 94 - 31 - 2705/1.8=4, 2738/3.0=3...(13) HG2 PRO 12 - HG3 LYS 86 OK 29 85 - 34 - 2705/1.8=3, ~2705=3...(17) HB3 LEU 132 - HG3 LYS 86 OK 28 92 - 30 - 2705/1.8=3, 2694/2.9=2...(11) HB ILE 136 - HG3 LYS 86 OK 16 99 - 16 - ~9672=3, ~9672=2...(6) QE MET 68 - HG3 LYS 86 OK 11 89 - 12 - 2705/1.8=2, 2738/3.0=2...(7) HB2 PRO 118 - HG3 LYS 86 lone 8 98 - 8 - 2705/1.8=1 HB2 MET 59 - HG3 LYS 86 lone 8 100 - 7 - HB2 ARG 140 - HG3 LYS 86 lone 4 81 - 5 - HB ILE 101 - HG3 LYS 86 lone 2 62 - 3 - HB2 GLN 62 - HG3 LYS 86 lone 2 85 - 2 - Peak 2717 from cnoeabs.peaks (2.18, 1.47, 24.82 ppm; 3.61 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HG3 LYS 86 OK 83 99 - 84 - 2.3/2715=12, 2706/1.8=11...(32) HB3 PRO 57 + HG3 LYS 86 OK 60 100 - 60 - 2706/1.8=8, 2739/3.0=7...(26) HB2 GLN 25 - HG3 LYS 86 OK 21 68 - 31 - 2697=3, 2706/1.8=3...(12) HB2 MET 113 - HG3 LYS 86 OK 10 68 - 15 - 2706/1.8=2, 2684/2.9=2...(6) HB2 MET 46 - HG3 LYS 86 poor 10 68 - 14 - ~11506=2, 2706/1.8=2...(5) Peak 2718 from cnoeabs.peaks (1.39, 1.47, 24.82 ppm; 2.69 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 1.8=100 HG2 ARG 49 - HG3 LYS 86 OK 35 99 - 35 - 2729/3.0=4, 2740/3.0=4...(18) HB2 LEU 69 - HG3 LYS 86 OK 29 94 - 30 - 2729/3.0=3, 1.8/2716=3...(10) HG LEU 132 - HG3 LYS 86 OK 15 72 - 21 - 3.0/2716=2, 2685/2.9=2...(10) HB2 ARG 109 - HG3 LYS 86 OK 14 85 - 16 - 2696/2.9=2, 2685/2.9=2...(8) HG LEU 116 - HG3 LYS 86 lone 4 77 - 5 - HB3 LEU 39 - HG3 LYS 86 lone 3 68 - 5 - HB2 ARG 35 - HG3 LYS 86 lone 2 68 - 2 - Peak 2719 from cnoeabs.peaks (1.47, 1.47, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 Peak 2720 from cnoeabs.peaks (1.70, 1.47, 24.82 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 95 + HG3 LYS 86 OK 49 100 - 49 - 2709/1.8=9, 2687/2.9=7...(22) HB2 LYS 85 - HG3 LYS 86 OK 43 100 - 43 - 4.6/6983=9, 2709/1.8=7...(15) HB ILE 58 - HG3 LYS 86 OK 16 100 - 16 - 2709/1.8=3, 2687/2.9=2...(6) HG LEU 26 - HG3 LYS 86 OK 14 77 - 18 - 2709/1.8=3, 2742/3.0=2...(6) Peak 2721 from cnoeabs.peaks (1.80, 1.47, 24.82 ppm; 2.98 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 34 + HG3 LYS 86 OK 64 92 - 69 - 2710/1.8=8, 2732/3.0=6...(41) HD2 LYS 34 + HG3 LYS 86 OK 64 92 - 69 - 2710/1.8=8, 2732/3.0=6...(41) HB2 ARG 124 - HG3 LYS 86 OK 12 100 - 12 - 3.8/11075=1, 2710/1.8=1 HB3 LYS 24 - HG3 LYS 86 OK 12 100 - 12 - 2710/1.8=2, 10885/3.0=1...(5) HB3 LEU 72 - HG3 LYS 86 OK 11 92 - 12 - 2710/1.8=1, 2688/2.9=1 HB3 ARG 145 - HG3 LYS 86 lone 4 89 - 4 - HB2 MET 11 - HG3 LYS 86 lone 1 62 - 2 - Peak 2722 from cnoeabs.peaks (3.06, 1.47, 24.82 ppm; 3.46 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 99 100 - 99 - 3.9=71, 3.0/2730=22...(61) HE3 LYS 86 + HG3 LYS 86 OK 99 100 - 99 - 3.9=71, 3.0/2730=22...(59) HE3 LYS 34 + HG3 LYS 86 OK 77 96 - 80 - 2.9/2721=7, 2.9/2721=7...(52) HE2 LYS 34 + HG3 LYS 86 OK 70 85 - 82 - 2.9/2721=7, 2.9/2721=7...(57) HD3 ARG 49 - HG3 LYS 86 OK 24 68 - 36 - 3.0/2718=6, ~1287=4...(19) HB2 TYR 27 - HG3 LYS 86 lone 8 98 - 8 - ~8043=2, ~10807=1 HB3 ASP 30 - HG3 LYS 86 lone 6 100 - 6 - HB3 TRP 88 - HG3 LYS 86 lone 5 100 - 5 - HB2 HIS 10 - HG3 LYS 86 lone 1 72 - 1 - Peak 2723 from cnoeabs.peaks (3.06, 1.47, 24.82 ppm; 3.54 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 86 + HG3 LYS 86 OK 99 100 - 99 - 3.9=76, 3.0/2730=22...(62) * HE3 LYS 86 + HG3 LYS 86 OK 99 100 - 99 - 3.9=76, 3.0/2730=22...(60) HE3 LYS 34 + HG3 LYS 86 OK 79 98 - 81 - 2.9/2721=8, 2.9/2721=8...(52) HE2 LYS 34 + HG3 LYS 86 OK 74 89 - 84 - 2.9/2721=8, 2.9/2721=8...(57) HD3 ARG 49 - HG3 LYS 86 OK 23 62 - 38 - 3.0/2718=6, ~1287=4...(19) HB2 TYR 27 - HG3 LYS 86 lone 9 99 - 9 - ~8043=3, ~10807=1, 2734/3.0=1 HB3 ASP 30 - HG3 LYS 86 lone 6 99 - 6 - 2733/3.0=1 HB3 TRP 88 - HG3 LYS 86 lone 5 99 - 5 - HB2 HIS 10 - HG3 LYS 86 lone 1 77 - 1 - Peak 2724 from cnoeabs.peaks (8.12, 1.47, 24.82 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.93: * H LEU 87 + HG3 LYS 86 OK 91 100 - 91 - 6990/4.9=30, 6991/3.9=26...(16) H TYR 115 + HG3 LYS 86 OK 28 100 - 28 - 11564/3.0=7, 11563/3.0=7...(6) Peak 2725 from cnoeabs.peaks (7.55, 1.70, 29.40 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 86 + HD2 LYS 86 OK 96 100 - 96 - 6.3=27, 2736/1.8=24...(37) HD21 ASN 54 + HD2 LYS 86 OK 56 100 - 56 - 2736/1.8=14, 2714/3.0=12...(10) Peak 2726 from cnoeabs.peaks (3.93, 1.70, 29.40 ppm; 3.97 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 98 100 - 98 - 5.4=41, 3.9/2730=21...(45) HD2 PRO 129 + HD2 LYS 86 OK 77 85 - 90 - 2.3/2728=12, 2737/1.8=11...(45) HD3 PRO 129 + HD2 LYS 86 OK 74 85 - 86 - 2737/1.8=13, 2.3/2728=12...(38) HA2 GLY 143 - HD2 LYS 86 OK 21 100 - 20 - 2737/1.8=3, 2704/3.0=2...(7) HA LEU 29 - HD2 LYS 86 OK 11 89 - 12 - 2693/3.5=2, 2737/1.8=2...(5) Peak 2727 from cnoeabs.peaks (1.92, 1.70, 29.40 ppm; 2.81 A): 1 out of 13 assignments used, quality = 0.94: * HB2 LYS 86 + HD2 LYS 86 OK 94 100 - 94 - 3.5=52, 2.9/2730=15...(67) HB3 LEU 69 - HD2 LYS 86 OK 28 81 - 35 - 1.8/2729=5, 2738/1.8=3...(14) HG13 ILE 83 - HD2 LYS 86 OK 24 100 - 24 - 2738/1.8=3, 10761=3...(7) HG2 PRO 12 - HD2 LYS 86 OK 22 85 - 26 - 2738/1.8=3, ~2738=2...(10) HG3 PRO 12 - HD2 LYS 86 OK 21 94 - 22 - 2738/1.8=4, 2716/3.0=3...(6) HB3 LEU 132 - HD2 LYS 86 OK 19 92 - 21 - 2738/1.8=2, 2716/3.0=2...(5) HB ILE 136 - HD2 LYS 86 OK 11 99 - 11 - ~9672=2, 2738/1.8=1...(5) QE MET 68 - HD2 LYS 86 lone 9 89 - 10 - 2738/1.8=2, 8450/3.0=1...(5) HB2 MET 59 - HD2 LYS 86 lone 6 100 - 6 - HB2 PRO 118 - HD2 LYS 86 lone 5 98 - 5 - HB2 ARG 140 - HD2 LYS 86 lone 3 81 - 4 - HB ILE 101 - HD2 LYS 86 lone 2 62 - 3 - HB2 GLN 62 - HD2 LYS 86 lone 1 85 - 1 - Peak 2728 from cnoeabs.peaks (2.18, 1.70, 29.40 ppm; 3.03 A): 3 out of 6 assignments used, quality = 0.99: * HB3 LYS 86 + HD2 LYS 86 OK 97 100 - 97 - 3.5=65, 2.9/2730=17...(75) HG2 PRO 129 + HD2 LYS 86 OK 66 99 - 67 - 2739/1.8=9, 2.3/2726=8...(32) HB3 PRO 57 + HD2 LYS 86 OK 46 100 - 46 - 2739/1.8=7, 2706/3.0=4...(24) HB2 GLN 25 - HD2 LYS 86 OK 13 68 - 19 - 2739/1.8=2, 2684/3.5=2...(6) HB2 MET 46 - HD2 LYS 86 lone 6 68 - 9 - 2739/1.8=1 HB2 MET 113 - HD2 LYS 86 lone 6 68 - 9 - 2739/1.8=1 Peak 2729 from cnoeabs.peaks (1.39, 1.70, 29.40 ppm; 2.81 A): 1 out of 8 assignments used, quality = 0.97: * HG2 LYS 86 + HD2 LYS 86 OK 97 100 - 97 - 3.0=84, 1.8/2730=21...(52) HG2 ARG 49 - HD2 LYS 86 OK 37 99 - 38 - 2740/1.8=6, 2718/3.0=4...(11) HB2 LEU 69 - HD2 LYS 86 OK 30 94 - 32 - 2740/1.8=5, 1.8/2727=4...(13) HG LEU 132 - HD2 LYS 86 OK 14 72 - 20 - 2740/1.8=2, 3.0/2727=2...(6) HB2 ARG 109 - HD2 LYS 86 OK 13 85 - 15 - 2740/1.8=2, 2718/3.0=2...(5) HG LEU 116 - HD2 LYS 86 lone 4 77 - 5 - HB3 LEU 39 - HD2 LYS 86 lone 3 68 - 5 - HB2 ARG 35 - HD2 LYS 86 lone 2 68 - 3 - Peak 2730 from cnoeabs.peaks (1.47, 1.70, 29.40 ppm; 2.86 A): 1 out of 4 assignments used, quality = 0.98: * HG3 LYS 86 + HD2 LYS 86 OK 98 100 - 98 - 3.0=89, 1.8/2729=16...(54) HG LEU 126 - HD2 LYS 86 OK 29 98 - 30 - 2741/1.8=6, 2708/3.0=4...(10) HB2 LYS 76 - HD2 LYS 86 OK 13 85 - 16 - 2741/1.8=3, 2708/3.0=2...(5) QB ALA 134 - HD2 LYS 86 lone 6 81 - 7 - 2741/1.8=1, 2686/3.5=1 Peak 2731 from cnoeabs.peaks (1.70, 1.70, 29.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 2732 from cnoeabs.peaks (1.80, 1.70, 29.40 ppm; 2.50 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 1.8=100 HD3 LYS 34 + HD2 LYS 86 OK 55 92 - 60 - 2721/3.0=4, 2710/3.0=4...(25) HD2 LYS 34 + HD2 LYS 86 OK 55 92 - 60 - 2721/3.0=4, 2710/3.0=4...(25) HB3 LYS 24 - HD2 LYS 86 OK 10 100 - 10 - 10885/1.8=1 HB3 LEU 72 - HD2 LYS 86 lone 7 92 - 8 - HB2 ARG 124 - HD2 LYS 86 lone 6 100 - 6 - HB3 ARG 145 - HD2 LYS 86 lone 3 89 - 3 - HB2 MET 11 - HD2 LYS 86 lone 1 62 - 1 - Peak 2733 from cnoeabs.peaks (3.06, 1.70, 29.40 ppm; 2.82 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 98 100 - 98 - 3.0=87, 1.8/2764=11...(66) HE3 LYS 86 + HD2 LYS 86 OK 98 100 - 98 - 3.0=87, 1.8/2764=11...(64) HE3 LYS 34 + HD2 LYS 86 OK 63 96 - 66 - 2753=6, 2.9/2732=6...(42) HE2 LYS 34 + HD2 LYS 86 OK 58 85 - 68 - 2.9/2732=6, 2.9/2732=6...(49) HD3 ARG 49 - HD2 LYS 86 OK 18 68 - 26 - 3.0/2729=4, ~2740=2...(8) HB3 ASP 30 - HD2 LYS 86 OK 11 100 - 11 - 2753=1, ~395=1, ~395=1 HB2 TYR 27 - HD2 LYS 86 OK 10 98 - 10 - 3.0/8043=2 HB3 TRP 88 - HD2 LYS 86 lone 4 100 - 4 - HB2 HIS 10 - HD2 LYS 86 lone 0 72 - 1 - Peak 2734 from cnoeabs.peaks (3.06, 1.70, 29.40 ppm; 2.79 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 86 + HD2 LYS 86 OK 97 100 - 97 - 3.0=84, 1.8/2764=11...(66) * HE3 LYS 86 + HD2 LYS 86 OK 97 100 - 97 - 3.0=84, 1.8/2764=11...(64) HE3 LYS 34 + HD2 LYS 86 OK 64 98 - 65 - 2753=6, 2.9/2732=6...(42) HE2 LYS 34 + HD2 LYS 86 OK 59 89 - 67 - 2.9/2732=6, 2.9/2732=6...(49) HD3 ARG 49 - HD2 LYS 86 OK 16 62 - 26 - 3.0/2729=4, ~2740=2...(8) HB3 ASP 30 - HD2 LYS 86 OK 11 99 - 11 - 2753=1, ~395=1, ~395=1 HB2 TYR 27 - HD2 LYS 86 OK 10 99 - 10 - 3.0/8043=2 HB3 TRP 88 - HD2 LYS 86 lone 4 99 - 4 - HB2 HIS 10 - HD2 LYS 86 lone 0 77 - 1 - Peak 2736 from cnoeabs.peaks (7.55, 1.80, 29.40 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 86 + HD3 LYS 86 OK 95 100 - 95 - 6.3=26, 2725/1.8=24...(32) HD21 ASN 54 + HD3 LYS 86 OK 54 100 - 54 - 2725/1.8=14, 2714/3.0=12...(10) Peak 2737 from cnoeabs.peaks (3.93, 1.80, 29.40 ppm; 3.85 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HD3 LYS 86 OK 97 100 - 97 - 5.4=37, 2675/3.0=19...(45) HD2 PRO 129 + HD3 LYS 86 OK 76 85 - 89 - 2.3/2739=12, 2726/1.8=10...(44) HD3 PRO 129 + HD3 LYS 86 OK 72 85 - 84 - 2.3/2739=12, 2726/1.8=12...(37) HA2 GLY 143 - HD3 LYS 86 OK 19 100 - 19 - 2726/1.8=3, 2704/3.0=2...(7) HA LEU 29 - HD3 LYS 86 OK 11 89 - 12 - 2693/3.5=2, 2682/3.5=2...(5) Peak 2738 from cnoeabs.peaks (1.92, 1.80, 29.40 ppm; 3.09 A): 1 out of 13 assignments used, quality = 0.97: * HB2 LYS 86 + HD3 LYS 86 OK 97 100 - 97 - 3.5=70, 2687/1.8=16...(72) HB3 LEU 69 - HD3 LYS 86 OK 33 81 - 41 - 1.8/2740=5, 2727/1.8=4...(17) HG2 PRO 12 - HD3 LYS 86 OK 26 85 - 31 - 2727/1.8=3, ~2727=3...(13) HG13 ILE 83 - HD3 LYS 86 OK 26 100 - 26 - 10761/1.8=4, 2705/3.0=3...(9) HG3 PRO 12 - HD3 LYS 86 OK 25 94 - 27 - 2727/1.8=4, 2716/3.0=3...(9) HB3 LEU 132 - HD3 LYS 86 OK 24 92 - 26 - 2727/1.8=3, 2716/3.0=2...(6) HB ILE 136 - HD3 LYS 86 OK 13 99 - 14 - ~9672=2, 2727/1.8=2...(6) QE MET 68 - HD3 LYS 86 OK 11 89 - 12 - 2727/1.8=2, 8450/3.0=2...(5) HB2 PRO 118 - HD3 LYS 86 lone 7 98 - 7 - 2727/1.8=1 HB2 MET 59 - HD3 LYS 86 lone 6 100 - 6 - HB2 ARG 140 - HD3 LYS 86 lone 4 81 - 5 - HB ILE 101 - HD3 LYS 86 lone 2 62 - 3 - HB2 GLN 62 - HD3 LYS 86 lone 2 85 - 2 - Peak 2739 from cnoeabs.peaks (2.18, 1.80, 29.40 ppm; 3.06 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HD3 LYS 86 OK 97 100 - 97 - 3.5=68, 2728/1.8=14...(72) HG2 PRO 129 + HD3 LYS 86 OK 67 99 - 68 - 2728/1.8=10, 2.3/2737=9...(32) HB3 PRO 57 + HD3 LYS 86 OK 49 100 - 49 - 2728/1.8=7, 2706/3.0=4...(26) HB2 GLN 25 - HD3 LYS 86 OK 13 68 - 19 - 2728/1.8=2, 2684/3.5=2...(5) HB2 MET 46 - HD3 LYS 86 poor 7 68 - 10 - 2728/1.8=1 HB2 MET 113 - HD3 LYS 86 lone 6 68 - 9 - 2728/1.8=1 Peak 2740 from cnoeabs.peaks (1.39, 1.80, 29.40 ppm; 3.00 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HG2 ARG 49 - HD3 LYS 86 OK 42 99 - 43 - 2729/1.8=7, 2718/3.0=4...(15) HB2 LEU 69 - HD3 LYS 86 OK 33 94 - 35 - 2729/1.8=5, 1.8/2738=4...(13) HG LEU 132 - HD3 LYS 86 OK 16 72 - 23 - 2729/1.8=3, 2718/3.0=2...(7) HB2 ARG 109 - HD3 LYS 86 OK 15 85 - 17 - 2729/1.8=2, 2685/3.5=2...(6) HB3 LEU 39 - HD3 LYS 86 lone 4 68 - 6 - HG LEU 116 - HD3 LYS 86 lone 4 77 - 5 - HB2 ARG 35 - HD3 LYS 86 lone 2 68 - 4 - Peak 2741 from cnoeabs.peaks (1.47, 1.80, 29.40 ppm; 3.01 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HG LEU 126 - HD3 LYS 86 OK 32 98 - 33 - 2730/1.8=7, 2708/3.0=5...(11) HB2 LYS 76 - HD3 LYS 86 OK 15 85 - 17 - 2730/1.8=3, 2697/3.5=2...(5) QB ALA 134 - HD3 LYS 86 lone 6 81 - 7 - 2730/1.8=1, 2686/3.5=1 Peak 2742 from cnoeabs.peaks (1.70, 1.80, 29.40 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 1.8=100 HB3 LEU 95 - HD3 LYS 86 OK 31 100 - 31 - 2720/3.0=4, 2709/3.0=4...(16) HB2 LYS 85 - HD3 LYS 86 OK 25 100 - 25 - 4.6/2736=4, 2709/3.0=3...(14) HG LEU 26 - HD3 LYS 86 poor 9 77 - 12 - 2720/3.0=1, 2709/3.0=1 HB ILE 58 - HD3 LYS 86 lone 9 100 - 8 - 2709/3.0=1, 2720/3.0=1 Peak 2743 from cnoeabs.peaks (1.80, 1.80, 29.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 Peak 2744 from cnoeabs.peaks (3.06, 1.80, 29.40 ppm; 2.73 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HD3 LYS 86 OK 96 100 - 96 - 3.0=79, 2753/1.8=11...(58) HE3 LYS 86 + HD3 LYS 86 OK 96 100 - 96 - 3.0=79, 2764/1.8=11...(58) HE3 LYS 34 + HD3 LYS 86 OK 56 96 - 59 - 2734/1.8=6, 577=3...(36) HE2 LYS 34 + HD3 LYS 86 OK 53 85 - 62 - 2734/1.8=5, 576=3...(40) HD3 ARG 49 - HD3 LYS 86 OK 16 68 - 24 - 3.0/2740=4, ~2729=2...(8) HB3 ASP 30 - HD3 LYS 86 lone 10 100 - 10 - ~395=1, ~395=1 HB2 TYR 27 - HD3 LYS 86 lone 8 98 - 8 - ~8043=2 HB3 TRP 88 - HD3 LYS 86 lone 4 100 - 4 - HB2 HIS 10 - HD3 LYS 86 lone 0 72 - 1 - Peak 2745 from cnoeabs.peaks (3.06, 1.80, 29.40 ppm; 2.74 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 96 100 - 96 - 3.0=80, 2764/1.8=11...(58) HE2 LYS 86 + HD3 LYS 86 OK 96 100 - 96 - 3.0=80, 2764/1.8=11...(58) HE3 LYS 34 + HD3 LYS 86 OK 58 98 - 59 - 2734/1.8=6, 577=4...(36) HE2 LYS 34 + HD3 LYS 86 OK 56 89 - 63 - 2734/1.8=5, 566=4...(40) HD3 ARG 49 - HD3 LYS 86 OK 15 62 - 24 - 3.0/2740=4, ~2729=2...(8) HB3 ASP 30 - HD3 LYS 86 lone 10 99 - 10 - ~395=1, ~395=1 HB2 TYR 27 - HD3 LYS 86 lone 9 99 - 9 - ~8043=2 HB3 TRP 88 - HD3 LYS 86 lone 4 99 - 4 - HB2 HIS 10 - HD3 LYS 86 lone 0 77 - 1 - Peak 2747 from cnoeabs.peaks (7.55, 3.06, 42.25 ppm; 3.84 A): 2 out of 6 assignments used, quality = 0.98: * H LYS 86 + HE2 LYS 86 OK 88 100 - 88 - 2736/3.0=17, 2725/3.0=17...(28) H LYS 86 + HE3 LYS 86 OK 88 100 - 88 - 2736/3.0=17, 2725/3.0=17...(28) HD21 ASN 54 - HE2 LYS 86 OK 43 100 - 43 - 2736/3.0=10, 2725/3.0=10...(7) HD21 ASN 54 - HE3 LYS 86 OK 43 100 - 43 - 2736/3.0=10, 2725/3.0=10...(7) H LYS 86 - HB3 ASP 30 lone 5 88 - 6 - HD21 ASN 54 - HB3 ASP 30 lone 1 88 - 1 - Peak 2748 from cnoeabs.peaks (3.93, 3.06, 42.25 ppm; 3.93 A): 6 out of 15 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 95 100 - 95 - 6.3=24, 2675/3.9=15...(43) HA LYS 86 + HE3 LYS 86 OK 95 100 - 95 - 6.3=24, 2675/3.9=15...(43) HD2 PRO 129 + HE2 LYS 86 OK 56 85 - 66 - 2737/3.0=8, 2726/3.0=8...(21) HD2 PRO 129 + HE3 LYS 86 OK 56 85 - 66 - 2737/3.0=8, 2726/3.0=8...(21) HD3 PRO 129 + HE2 LYS 86 OK 54 85 - 63 - 2737/3.0=10, 2726/3.0=10...(19) HD3 PRO 129 + HE3 LYS 86 OK 53 85 - 63 - 2737/3.0=10, 2726/3.0=10...(19) HD3 PRO 129 - HB3 ASP 30 OK 23 69 - 34 - 9525/1.8=12, ~9527=5...(8) HD2 PRO 129 - HB3 ASP 30 OK 23 69 - 34 - ~9525=11, ~9527=5...(8) HA2 GLY 143 - HE2 LYS 86 OK 14 100 - 14 - 2726/3.0=2, 2737/3.0=2...(6) HA2 GLY 143 - HE3 LYS 86 OK 14 100 - 14 - 2726/3.0=2, 2737/3.0=2...(6) HA LEU 29 - HE2 LYS 86 OK 11 89 - 12 - 3.6/6138=3, 2737/3.0=2...(7) HA LEU 29 - HE3 LYS 86 OK 11 88 - 12 - 3.6/6138=3, 2737/3.0=2...(7) HA LYS 86 - HB3 ASP 30 lone 7 88 - 8 - 6130/3.8=2 HA2 GLY 143 - HB3 ASP 30 lone 2 88 - 3 - HA LEU 29 - HB3 ASP 30 lone 1 73 - 1 - Peak 2749 from cnoeabs.peaks (1.92, 3.06, 42.25 ppm; 3.41 A): 2 out of 39 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 4.9=34, 2687/3.0=14...(68) HB2 LYS 86 + HE3 LYS 86 OK 97 100 - 97 - 4.9=34, 2687/3.0=14...(67) HB3 LEU 69 - HE2 LYS 86 OK 25 81 - 30 - 2727/3.0=4, 2738/3.0=4...(16) HB3 LEU 69 - HE3 LYS 86 OK 24 81 - 30 - 2727/3.0=4, 2738/3.0=4...(16) HG3 PRO 12 - HE2 LYS 86 OK 19 94 - 20 - 2738/3.0=4, 2727/3.0=4...(8) HG13 ILE 83 - HE2 LYS 86 OK 19 100 - 19 - 10761/3.0=4, 2738/3.0=3...(7) HG13 ILE 83 - HE3 LYS 86 OK 18 100 - 19 - 10761/3.0=4, 2738/3.0=3...(7) HG3 PRO 12 - HE3 LYS 86 OK 18 94 - 20 - 2738/3.0=4, 2727/3.0=4...(8) HG2 PRO 12 - HE2 LYS 86 OK 17 85 - 20 - 2727/3.0=3, 2738/3.0=3...(10) HG2 PRO 12 - HE3 LYS 86 OK 16 85 - 20 - 2727/3.0=3, 2738/3.0=3...(10) HB3 LEU 132 - HE2 LYS 86 OK 16 92 - 17 - 2727/3.0=3, 2738/3.0=3...(5) HB3 LEU 132 - HE3 LYS 86 OK 16 91 - 17 - 2727/3.0=3, 2738/3.0=3...(5) QE MET 68 - HE2 LYS 86 OK 12 89 - 14 - 8450/1.8=2, 8450=2...(6) QE MET 68 - HE3 LYS 86 OK 12 88 - 14 - 8450/1.8=2, 8450=2...(6) QE MET 68 - HB3 ASP 30 poor 9 73 - 12 - 8419/3.8=6, 8450=3, 8422/1.8=2 HB ILE 136 - HE2 LYS 86 lone 7 99 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB ILE 136 - HE3 LYS 86 lone 7 99 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB2 PRO 118 - HE2 LYS 86 lone 5 98 - 5 - 2738/3.0=1, 2727/3.0=1 HB2 PRO 118 - HE3 LYS 86 lone 5 98 - 5 - 2738/3.0=1, 2727/3.0=1 HB2 LYS 86 - HB3 ASP 30 lone 5 88 - 5 - HB2 MET 59 - HE2 LYS 86 lone 4 100 - 4 - HB2 MET 59 - HE3 LYS 86 lone 4 99 - 4 - HB2 ARG 140 - HE2 LYS 86 lone 3 81 - 4 - HB2 ARG 140 - HE3 LYS 86 lone 3 81 - 4 - HB ILE 101 - HE2 LYS 86 lone 2 62 - 3 - HB ILE 101 - HE3 LYS 86 lone 2 62 - 3 - HB2 GLN 62 - HE2 LYS 86 lone 1 85 - 1 - HB2 GLN 62 - HE3 LYS 86 lone 1 85 - 1 - HG13 ILE 83 - HB3 ASP 30 lone 1 87 - 1 - HG2 PRO 12 - HB3 ASP 30 lone 1 69 - 2 - HG3 PRO 12 - HB3 ASP 30 lone 1 79 - 1 - HB ILE 136 - HB3 ASP 30 lone 1 85 - 1 - HB3 LEU 132 - HB3 ASP 30 lone 1 76 - 1 - HB2 PRO 118 - HB3 ASP 30 lone 1 83 - 1 - HB3 LEU 69 - HB3 ASP 30 lone 0 66 - 1 - HB2 MET 59 - HB3 ASP 30 lone 0 86 - 0 - HB2 ARG 140 - HB3 ASP 30 lone 0 66 - 0 - HB2 GLN 62 - HB3 ASP 30 lone 0 69 - 0 - HB ILE 101 - HB3 ASP 30 lone 0 49 - 0 - Peak 2750 from cnoeabs.peaks (2.18, 3.06, 42.25 ppm; 3.51 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 98 100 - 98 - 4.9=37, 2728/3.0=13...(73) HB3 LYS 86 + HE3 LYS 86 OK 98 100 - 98 - 4.9=37, 2728/3.0=13...(72) HG2 PRO 129 + HE2 LYS 86 OK 52 99 - 53 - 2728/3.0=9, 2739/3.0=9...(17) HG2 PRO 129 + HE3 LYS 86 OK 52 99 - 53 - 2728/3.0=9, 2739/3.0=9...(17) HB3 PRO 57 - HE2 LYS 86 OK 36 100 - 36 - 2739/3.0=6, 2728/3.0=6...(11) HB3 PRO 57 - HE3 LYS 86 OK 35 99 - 35 - 2739/3.0=6, 2728/3.0=6...(11) HG2 PRO 129 - HB3 ASP 30 OK 23 85 - 27 - ~9525=7, ~9527=5...(9) HB2 GLN 25 - HE2 LYS 86 poor 8 68 - 12 - 2728/3.0=2, 2739/3.0=2...(5) HB2 GLN 25 - HE3 LYS 86 poor 8 67 - 12 - 2728/3.0=2, 2739/3.0=2...(5) HB2 MET 46 - HE2 LYS 86 lone 6 68 - 8 - 2739/3.0=1, 2728/3.0=1...(4) HB2 MET 46 - HE3 LYS 86 lone 6 67 - 8 - 2739/3.0=1, 2728/3.0=1...(4) HB3 LYS 86 - HB3 ASP 30 lone 5 88 - 5 - HB2 MET 113 - HE2 LYS 86 lone 4 68 - 6 - 2739/3.0=1, 2728/3.0=1 HB2 MET 113 - HE3 LYS 86 lone 4 67 - 6 - 2739/3.0=1, 2728/3.0=1 HB3 PRO 57 - HB3 ASP 30 lone 1 86 - 1 - HB2 MET 46 - HB3 ASP 30 lone 1 53 - 1 - HB2 GLN 25 - HB3 ASP 30 lone 1 53 - 1 - HB2 MET 113 - HB3 ASP 30 lone 0 53 - 1 - Peak 2751 from cnoeabs.peaks (1.39, 3.06, 42.25 ppm; 2.85 A): 2 out of 24 assignments used, quality = 0.99: * HG2 LYS 86 + HE2 LYS 86 OK 91 100 - 91 - 3.9=40, 1.8/2752=12...(54) HG2 LYS 86 + HE3 LYS 86 OK 90 100 - 90 - 3.9=40, 1.8/2763=12...(54) HG2 ARG 49 - HE2 LYS 86 OK 30 99 - 30 - 2729/3.0=4, 2740/3.0=4...(11) HG2 ARG 49 - HE3 LYS 86 OK 30 99 - 30 - 2729/3.0=4, 2740/3.0=4...(15) HB2 LEU 69 - HE2 LYS 86 OK 18 94 - 19 - 2729/3.0=3, 2740/3.0=3...(8) HB2 LEU 69 - HE3 LYS 86 OK 18 94 - 19 - 2729/3.0=3, 2740/3.0=3...(8) HG LEU 132 - HE2 LYS 86 lone 7 72 - 10 - 2729/3.0=2, 2740/3.0=2 HG LEU 132 - HE3 LYS 86 lone 7 72 - 10 - 2729/3.0=2, 2740/3.0=2 HB2 ARG 109 - HE2 LYS 86 lone 7 85 - 8 - 2729/3.0=1, 2740/3.0=1 HB2 ARG 109 - HE3 LYS 86 lone 7 85 - 8 - 2729/3.0=1, 2740/3.0=1 HG2 LYS 86 - HB3 ASP 30 lone 3 88 - 4 - HG2 ARG 49 - HB3 ASP 30 lone 3 85 - 4 - HG LEU 116 - HE2 LYS 86 lone 2 77 - 3 - HG LEU 116 - HE3 LYS 86 lone 2 77 - 3 - HB3 LEU 39 - HE2 LYS 86 lone 2 68 - 3 - HB3 LEU 39 - HE3 LYS 86 lone 2 67 - 3 - HB2 ARG 35 - HB3 ASP 30 lone 1 53 - 3 - ~10922=1, 593/3.8=1 HB2 ARG 35 - HE2 LYS 86 lone 1 68 - 2 - HG LEU 116 - HB3 ASP 30 lone 1 62 - 2 - HB2 ARG 35 - HE3 LYS 86 lone 1 67 - 2 - HB3 LEU 39 - HB3 ASP 30 lone 1 53 - 2 - HB2 LEU 69 - HB3 ASP 30 lone 0 79 - 1 - HB2 ARG 109 - HB3 ASP 30 lone 0 69 - 0 - HG LEU 132 - HB3 ASP 30 lone 0 57 - 0 - Peak 2752 from cnoeabs.peaks (1.47, 3.06, 42.25 ppm; 2.89 A): 2 out of 12 assignments used, quality = 0.99: * HG3 LYS 86 + HE2 LYS 86 OK 92 100 - 92 - 3.9=41, 2730/3.0=16...(57) HG3 LYS 86 + HE3 LYS 86 OK 92 100 - 92 - 3.9=41, 2730/3.0=16...(57) HG LEU 126 - HE2 LYS 86 OK 21 98 - 22 - 2741/3.0=5, 2730/3.0=5...(8) HG LEU 126 - HE3 LYS 86 OK 21 98 - 22 - 2741/3.0=5, 2730/3.0=5...(8) HB2 LYS 76 - HE2 LYS 86 poor 9 85 - 10 - 2730/3.0=2, 2741/3.0=2...(5) HB2 LYS 76 - HE3 LYS 86 lone 9 85 - 10 - 2730/3.0=2, 2741/3.0=2...(5) QB ALA 134 - HE2 LYS 86 lone 4 81 - 5 - QB ALA 134 - HE3 LYS 86 lone 4 81 - 5 - HG3 LYS 86 - HB3 ASP 30 lone 3 88 - 4 - QB ALA 134 - HB3 ASP 30 lone 1 66 - 2 - HG LEU 126 - HB3 ASP 30 lone 1 83 - 1 - HB2 LYS 76 - HB3 ASP 30 lone 0 69 - 0 - Peak 2753 from cnoeabs.peaks (1.70, 3.06, 42.25 ppm; 2.50 A): 2 out of 15 assignments used, quality = 0.99: * HD2 LYS 86 + HE2 LYS 86 OK 90 100 - 90 - 3.0=61, 1.8/2744=8...(59) HD2 LYS 86 + HE3 LYS 86 OK 90 100 - 90 - 3.0=61, 1.8/2744=8...(59) HB3 LEU 95 - HE2 LYS 86 OK 22 100 - 22 - 2742/3.0=4, 2709/3.9=3...(7) HB3 LEU 95 - HE3 LYS 86 OK 22 100 - 22 - 2742/3.0=4, 2709/3.9=3...(7) HB2 LYS 85 - HE2 LYS 86 OK 19 100 - 19 - 2742/3.0=3, 2.9/10053=3...(9) HB2 LYS 85 - HE3 LYS 86 OK 19 100 - 19 - 2742/3.0=3, 2.9/10053=3...(9) HG LEU 26 - HE2 LYS 86 poor 8 77 - 10 - 2742/3.0=1, 2.1/10565=1 HG LEU 26 - HE3 LYS 86 poor 8 77 - 10 - 2742/3.0=1, 2.1/10565=1 HD2 LYS 86 - HB3 ASP 30 lone 7 88 - 8 - 2734=1 HB ILE 58 - HE2 LYS 86 lone 6 100 - 6 - HB ILE 58 - HE3 LYS 86 lone 6 100 - 6 - HB2 LYS 85 - HB3 ASP 30 lone 2 88 - 2 - HB3 LEU 95 - HB3 ASP 30 lone 0 87 - 0 - HG LEU 26 - HB3 ASP 30 lone 0 62 - 1 - HB ILE 58 - HB3 ASP 30 lone 0 88 - 0 - Peak 2754 from cnoeabs.peaks (1.80, 3.06, 42.25 ppm; 2.52 A): 6 out of 24 assignments used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 90 100 - 90 - 3.0=62, 1.8/2753=9...(57) HD3 LYS 86 + HE3 LYS 86 OK 90 100 - 90 - 3.0=62, 1.8/2753=9...(57) HD2 LYS 34 + HE2 LYS 86 OK 51 92 - 55 - 2732/3.0=5, 546=4...(31) HD3 LYS 34 + HE2 LYS 86 OK 51 92 - 55 - 2732/3.0=5, 557=4...(31) HD2 LYS 34 + HE3 LYS 86 OK 49 91 - 54 - 2732/3.0=5, 546=4...(30) HD3 LYS 34 + HE3 LYS 86 OK 49 91 - 54 - 2732/3.0=5, 557=4...(31) HB3 LYS 24 - HE2 LYS 86 lone 8 100 - 8 - 10885/3.0=1 HB3 LYS 24 - HE3 LYS 86 lone 8 99 - 8 - 10885/3.0=1 HD3 LYS 86 - HB3 ASP 30 lone 7 88 - 8 - 2744=1 HB3 LEU 72 - HE2 LYS 86 lone 5 92 - 5 - HB3 LEU 72 - HE3 LYS 86 lone 5 91 - 5 - HB2 ARG 124 - HE2 LYS 86 lone 4 100 - 4 - HB2 ARG 124 - HE3 LYS 86 lone 4 100 - 4 - HB3 ARG 145 - HE2 LYS 86 lone 2 89 - 2 - HB3 ARG 145 - HE3 LYS 86 lone 2 88 - 2 - HD2 LYS 34 - HB3 ASP 30 lone 2 76 - 2 - HD3 LYS 34 - HB3 ASP 30 lone 1 76 - 2 - HB2 MET 11 - HE2 LYS 86 lone 1 62 - 1 - HB2 MET 11 - HE3 LYS 86 lone 1 62 - 1 - HB3 LEU 72 - HB3 ASP 30 lone 0 76 - 1 - HB3 LYS 24 - HB3 ASP 30 lone 0 86 - 0 - HB2 ARG 124 - HB3 ASP 30 lone 0 88 - 0 - HB2 MET 11 - HB3 ASP 30 lone 0 49 - 0 - HB3 ARG 145 - HB3 ASP 30 lone 0 73 - 0 - Peak 2755 from cnoeabs.peaks (3.06, 3.06, 42.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HB3 ASP 30 + HB3 ASP 30 OK 86 86 - 100 Peak 2756 from cnoeabs.peaks (3.06, 3.06, 42.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HB3 ASP 30 + HB3 ASP 30 OK 85 85 - 100 Reference assignment not found: HE3 LYS 86 - HE2 LYS 86 Peak 2758 from cnoeabs.peaks (7.55, 3.06, 42.25 ppm; 3.84 A): 2 out of 6 assignments used, quality = 0.98: * H LYS 86 + HE3 LYS 86 OK 88 100 - 88 - 2736/3.0=17, 2725/3.0=17...(28) H LYS 86 + HE2 LYS 86 OK 88 100 - 88 - 2736/3.0=17, 2725/3.0=17...(28) HD21 ASN 54 - HE3 LYS 86 OK 43 100 - 43 - 2736/3.0=10, 2725/3.0=10...(7) HD21 ASN 54 - HE2 LYS 86 OK 43 100 - 43 - 2736/3.0=10, 2725/3.0=10...(7) H LYS 86 - HB3 ASP 30 lone 5 85 - 6 - HD21 ASN 54 - HB3 ASP 30 lone 1 85 - 1 - Peak 2759 from cnoeabs.peaks (3.93, 3.06, 42.25 ppm; 3.93 A): 6 out of 15 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 95 100 - 95 - 6.3=24, 2675/3.9=15...(43) HA LYS 86 + HE2 LYS 86 OK 95 100 - 95 - 6.3=24, 2675/3.9=15...(43) HD2 PRO 129 + HE3 LYS 86 OK 56 85 - 66 - 2737/3.0=8, 2726/3.0=8...(21) HD2 PRO 129 + HE2 LYS 86 OK 56 85 - 66 - 2737/3.0=8, 2726/3.0=8...(21) HD3 PRO 129 + HE3 LYS 86 OK 54 85 - 63 - 2737/3.0=10, 2726/3.0=10...(19) HD3 PRO 129 + HE2 LYS 86 OK 53 85 - 63 - 2737/3.0=10, 2726/3.0=10...(19) HD3 PRO 129 - HB3 ASP 30 OK 22 66 - 34 - 9525/1.8=12, ~9527=5...(8) HD2 PRO 129 - HB3 ASP 30 OK 22 66 - 34 - ~9525=11, ~9527=5...(8) HA2 GLY 143 - HE2 LYS 86 OK 14 100 - 14 - 2726/3.0=2, 2737/3.0=2...(6) HA2 GLY 143 - HE3 LYS 86 OK 14 100 - 14 - 2726/3.0=2, 2737/3.0=2...(6) HA LEU 29 - HE3 LYS 86 OK 11 89 - 12 - 3.6/6138=3, 2737/3.0=2...(7) HA LEU 29 - HE2 LYS 86 OK 11 88 - 12 - 3.6/6138=3, 2737/3.0=2...(7) HA LYS 86 - HB3 ASP 30 lone 7 85 - 8 - 6130/3.8=2 HA2 GLY 143 - HB3 ASP 30 lone 2 85 - 3 - HA LEU 29 - HB3 ASP 30 lone 1 70 - 1 - Peak 2760 from cnoeabs.peaks (1.92, 3.06, 42.25 ppm; 3.41 A): 2 out of 39 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 97 100 - 97 - 4.9=34, 2687/3.0=14...(67) HB2 LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 4.9=34, 2687/3.0=14...(68) HB3 LEU 69 - HE3 LYS 86 OK 25 81 - 30 - 2727/3.0=4, 2738/3.0=4...(16) HB3 LEU 69 - HE2 LYS 86 OK 24 81 - 30 - 2727/3.0=4, 2738/3.0=4...(16) HG3 PRO 12 - HE2 LYS 86 OK 19 94 - 20 - 2738/3.0=4, 2727/3.0=4...(8) HG13 ILE 83 - HE2 LYS 86 OK 18 100 - 19 - 10761/3.0=4, 2738/3.0=3...(7) HG13 ILE 83 - HE3 LYS 86 OK 18 100 - 19 - 10761/3.0=4, 2738/3.0=3...(7) HG3 PRO 12 - HE3 LYS 86 OK 18 94 - 20 - 2738/3.0=4, 2727/3.0=4...(8) HG2 PRO 12 - HE3 LYS 86 OK 17 85 - 20 - 2727/3.0=3, 2738/3.0=3...(10) HG2 PRO 12 - HE2 LYS 86 OK 16 85 - 20 - 2727/3.0=3, 2738/3.0=3...(10) HB3 LEU 132 - HE2 LYS 86 OK 16 91 - 17 - 2727/3.0=3, 2738/3.0=3...(5) HB3 LEU 132 - HE3 LYS 86 OK 16 92 - 17 - 2727/3.0=3, 2738/3.0=3...(5) QE MET 68 - HE3 LYS 86 OK 12 89 - 14 - 8450/1.8=2, 2738/3.0=2...(6) QE MET 68 - HE2 LYS 86 OK 12 88 - 14 - 8450/1.8=2, 2738/3.0=2...(6) QE MET 68 - HB3 ASP 30 poor 8 70 - 12 - 8419/3.8=6, 8450=3, 8422/1.8=2 HB ILE 136 - HE3 LYS 86 lone 7 99 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB ILE 136 - HE2 LYS 86 lone 7 99 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB2 PRO 118 - HE3 LYS 86 lone 5 98 - 5 - 2738/3.0=1, 2727/3.0=1 HB2 PRO 118 - HE2 LYS 86 lone 5 98 - 5 - 2738/3.0=1, 2727/3.0=1 HB2 LYS 86 - HB3 ASP 30 lone 5 85 - 5 - HB2 MET 59 - HE2 LYS 86 lone 4 99 - 4 - HB2 MET 59 - HE3 LYS 86 lone 4 100 - 4 - HB2 ARG 140 - HE3 LYS 86 lone 3 81 - 4 - HB2 ARG 140 - HE2 LYS 86 lone 3 81 - 4 - HB ILE 101 - HE2 LYS 86 lone 2 62 - 3 - HB ILE 101 - HE3 LYS 86 lone 2 62 - 3 - HB2 GLN 62 - HE3 LYS 86 lone 1 85 - 1 - HB2 GLN 62 - HE2 LYS 86 lone 1 85 - 1 - HG13 ILE 83 - HB3 ASP 30 lone 1 84 - 1 - HG2 PRO 12 - HB3 ASP 30 lone 1 66 - 2 - HG3 PRO 12 - HB3 ASP 30 lone 1 75 - 1 - HB3 LEU 132 - HB3 ASP 30 lone 1 73 - 1 - HB ILE 136 - HB3 ASP 30 lone 1 82 - 1 - HB2 PRO 118 - HB3 ASP 30 lone 0 80 - 1 - HB3 LEU 69 - HB3 ASP 30 lone 0 62 - 1 - HB2 MET 59 - HB3 ASP 30 lone 0 83 - 0 - HB2 ARG 140 - HB3 ASP 30 lone 0 62 - 0 - HB2 GLN 62 - HB3 ASP 30 lone 0 66 - 0 - HB ILE 101 - HB3 ASP 30 lone 0 46 - 0 - Peak 2761 from cnoeabs.peaks (2.18, 3.06, 42.25 ppm; 3.51 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 86 + HE3 LYS 86 OK 98 100 - 98 - 4.9=37, 2728/3.0=13...(72) HB3 LYS 86 + HE2 LYS 86 OK 98 100 - 98 - 4.9=37, 2728/3.0=13...(73) HG2 PRO 129 + HE3 LYS 86 OK 52 99 - 53 - 2728/3.0=9, 2739/3.0=9...(17) HG2 PRO 129 + HE2 LYS 86 OK 52 99 - 53 - 2728/3.0=9, 2739/3.0=9...(17) HB3 PRO 57 - HE2 LYS 86 OK 36 99 - 36 - 2739/3.0=6, 2728/3.0=6...(11) HB3 PRO 57 - HE3 LYS 86 OK 35 100 - 35 - 2739/3.0=6, 2728/3.0=6...(11) HG2 PRO 129 - HB3 ASP 30 OK 22 82 - 27 - ~9525=7, ~9527=5...(9) HB2 GLN 25 - HE3 LYS 86 poor 8 68 - 12 - 2728/3.0=2, 2739/3.0=2...(5) HB2 GLN 25 - HE2 LYS 86 poor 8 67 - 12 - 2728/3.0=2, 2739/3.0=2...(5) HB2 MET 46 - HE3 LYS 86 lone 6 68 - 8 - 2739/3.0=1, 2728/3.0=1, ~11503=1 HB2 MET 46 - HE2 LYS 86 lone 6 67 - 8 - 2739/3.0=1, 2728/3.0=1, ~11503=1 HB3 LYS 86 - HB3 ASP 30 lone 5 85 - 5 - HB2 MET 113 - HE3 LYS 86 lone 4 68 - 6 - 2739/3.0=1, 2728/3.0=1 HB2 MET 113 - HE2 LYS 86 lone 4 67 - 6 - 2739/3.0=1, 2728/3.0=1 HB3 PRO 57 - HB3 ASP 30 lone 1 83 - 1 - HB2 MET 46 - HB3 ASP 30 lone 1 50 - 1 - HB2 GLN 25 - HB3 ASP 30 lone 0 50 - 1 - HB2 MET 113 - HB3 ASP 30 lone 0 50 - 1 - Peak 2762 from cnoeabs.peaks (1.39, 3.06, 42.25 ppm; 2.85 A): 2 out of 24 assignments used, quality = 0.99: HG2 LYS 86 + HE2 LYS 86 OK 90 100 - 91 - 3.9=40, 1.8/2763=12...(54) * HG2 LYS 86 + HE3 LYS 86 OK 90 100 - 90 - 3.9=40, 1.8/2763=12...(54) HG2 ARG 49 - HE2 LYS 86 OK 29 99 - 30 - 2729/3.0=4, 2740/3.0=4...(9) HG2 ARG 49 - HE3 LYS 86 OK 29 99 - 30 - 2729/3.0=4, 2740/3.0=4...(13) HB2 LEU 69 - HE3 LYS 86 OK 18 94 - 19 - 2729/3.0=3, 2740/3.0=3...(8) HB2 LEU 69 - HE2 LYS 86 OK 18 94 - 19 - 2729/3.0=3, 2740/3.0=3...(8) HG LEU 132 - HE3 LYS 86 lone 7 72 - 10 - 2729/3.0=2, 2740/3.0=2 HG LEU 132 - HE2 LYS 86 lone 7 72 - 10 - 2729/3.0=2, 2740/3.0=2 HB2 ARG 109 - HE3 LYS 86 lone 7 85 - 8 - 2729/3.0=1, 2740/3.0=1 HB2 ARG 109 - HE2 LYS 86 lone 7 85 - 8 - 2729/3.0=1, 2740/3.0=1 HG2 LYS 86 - HB3 ASP 30 lone 3 85 - 4 - HG2 ARG 49 - HB3 ASP 30 lone 3 82 - 4 - HG LEU 116 - HE3 LYS 86 lone 2 77 - 3 - HG LEU 116 - HE2 LYS 86 lone 2 77 - 3 - HB3 LEU 39 - HE3 LYS 86 lone 2 68 - 3 - HB3 LEU 39 - HE2 LYS 86 lone 2 67 - 3 - HB2 ARG 35 - HB3 ASP 30 lone 1 50 - 3 - ~10922=1, 593/3.8=1 HB2 ARG 35 - HE2 LYS 86 lone 1 67 - 2 - HB2 ARG 35 - HE3 LYS 86 lone 1 68 - 2 - HG LEU 116 - HB3 ASP 30 lone 1 59 - 2 - HB3 LEU 39 - HB3 ASP 30 lone 1 50 - 2 - HB2 LEU 69 - HB3 ASP 30 lone 0 75 - 1 - HB2 ARG 109 - HB3 ASP 30 lone 0 66 - 0 - HG LEU 132 - HB3 ASP 30 lone 0 55 - 0 - Peak 2763 from cnoeabs.peaks (1.47, 3.06, 42.25 ppm; 2.89 A): 2 out of 12 assignments used, quality = 0.99: HG3 LYS 86 + HE2 LYS 86 OK 92 100 - 92 - 3.9=41, 2730/3.0=16...(57) * HG3 LYS 86 + HE3 LYS 86 OK 92 100 - 92 - 3.9=41, 2730/3.0=16...(57) HG LEU 126 - HE3 LYS 86 OK 21 98 - 21 - 2741/3.0=5, 2730/3.0=5...(8) HG LEU 126 - HE2 LYS 86 OK 21 98 - 21 - 2741/3.0=5, 2730/3.0=5...(8) HB2 LYS 76 - HE3 LYS 86 lone 9 85 - 10 - 2730/3.0=2, 2741/3.0=2...(5) HB2 LYS 76 - HE2 LYS 86 lone 9 85 - 10 - 2730/3.0=2, 2741/3.0=2...(5) QB ALA 134 - HE2 LYS 86 lone 4 81 - 5 - QB ALA 134 - HE3 LYS 86 lone 4 81 - 5 - HG3 LYS 86 - HB3 ASP 30 lone 3 85 - 4 - QB ALA 134 - HB3 ASP 30 lone 1 62 - 2 - HG LEU 126 - HB3 ASP 30 lone 1 80 - 1 - HB2 LYS 76 - HB3 ASP 30 lone 0 66 - 0 - Peak 2764 from cnoeabs.peaks (1.70, 3.06, 42.25 ppm; 2.50 A): 2 out of 15 assignments used, quality = 0.99: HD2 LYS 86 + HE2 LYS 86 OK 90 100 - 90 - 3.0=61, 1.8/2744=8...(59) * HD2 LYS 86 + HE3 LYS 86 OK 90 100 - 90 - 3.0=61, 1.8/2744=8...(59) HB3 LEU 95 - HE3 LYS 86 OK 22 100 - 22 - 2742/3.0=4, 2709/3.9=3...(7) HB3 LEU 95 - HE2 LYS 86 OK 22 100 - 22 - 2742/3.0=4, 2709/3.9=3...(7) HB2 LYS 85 - HE3 LYS 86 OK 19 100 - 19 - 2742/3.0=3, 2.9/10053=3...(9) HB2 LYS 85 - HE2 LYS 86 OK 19 100 - 19 - 2742/3.0=3, 2.9/10053=3...(9) HG LEU 26 - HE3 LYS 86 poor 8 77 - 10 - 2742/3.0=1, 2.1/10565=1 HG LEU 26 - HE2 LYS 86 poor 8 77 - 10 - 2742/3.0=1, 2.1/10565=1 HD2 LYS 86 - HB3 ASP 30 lone 7 85 - 8 - 2734=1 HB ILE 58 - HE3 LYS 86 lone 6 100 - 6 - HB ILE 58 - HE2 LYS 86 lone 6 100 - 6 - HB2 LYS 85 - HB3 ASP 30 lone 2 85 - 2 - HB3 LEU 95 - HB3 ASP 30 lone 0 84 - 0 - HG LEU 26 - HB3 ASP 30 lone 0 59 - 1 - HB ILE 58 - HB3 ASP 30 lone 0 85 - 0 - Peak 2765 from cnoeabs.peaks (1.80, 3.06, 42.25 ppm; 2.52 A): 6 out of 24 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 90 100 - 90 - 3.0=62, 1.8/2764=9...(57) HD3 LYS 86 + HE2 LYS 86 OK 90 100 - 90 - 3.0=62, 1.8/2764=9...(57) HD2 LYS 34 + HE2 LYS 86 OK 51 91 - 56 - 2732/3.0=5, 546=4...(32) HD3 LYS 34 + HE2 LYS 86 OK 51 91 - 56 - 2732/3.0=5, 557=4...(32) HD2 LYS 34 + HE3 LYS 86 OK 50 92 - 54 - 2732/3.0=5, 546=4...(31) HD3 LYS 34 + HE3 LYS 86 OK 50 92 - 54 - 2732/3.0=5, 557=4...(32) HB3 LYS 24 - HE3 LYS 86 lone 8 100 - 8 - 10885/3.0=1 HB3 LYS 24 - HE2 LYS 86 lone 8 99 - 8 - 10885/3.0=1 HD3 LYS 86 - HB3 ASP 30 lone 7 85 - 8 - 2744=1 HB3 LEU 72 - HE3 LYS 86 lone 5 92 - 5 - HB3 LEU 72 - HE2 LYS 86 lone 5 91 - 5 - HB2 ARG 124 - HE2 LYS 86 lone 4 100 - 4 - HB2 ARG 124 - HE3 LYS 86 lone 4 100 - 4 - HB3 ARG 145 - HE3 LYS 86 lone 2 89 - 2 - HB3 ARG 145 - HE2 LYS 86 lone 2 88 - 2 - HD2 LYS 34 - HB3 ASP 30 lone 1 73 - 2 - HD3 LYS 34 - HB3 ASP 30 lone 1 73 - 2 - HB2 MET 11 - HE2 LYS 86 lone 1 62 - 1 - HB2 MET 11 - HE3 LYS 86 lone 1 62 - 1 - HB3 LEU 72 - HB3 ASP 30 lone 0 73 - 1 - HB3 LYS 24 - HB3 ASP 30 lone 0 83 - 0 - HB2 ARG 124 - HB3 ASP 30 lone 0 85 - 0 - HB2 MET 11 - HB3 ASP 30 lone 0 46 - 0 - HB3 ARG 145 - HB3 ASP 30 lone 0 70 - 0 - Peak 2766 from cnoeabs.peaks (3.06, 3.06, 42.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HB3 ASP 30 + HB3 ASP 30 OK 83 83 - 100 Reference assignment not found: HE2 LYS 86 - HE3 LYS 86 Peak 2767 from cnoeabs.peaks (3.06, 3.06, 42.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HB3 ASP 30 + HB3 ASP 30 OK 82 82 - 100 Peak 2769 from cnoeabs.peaks (8.12, 4.64, 53.94 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 87 + HA LEU 87 OK 100 100 - 100 - 3.0=100 H TYR 115 + HA LEU 87 OK 46 100 - 46 - 2785/3.0=6, 2809/4.0=6...(16) Peak 2770 from cnoeabs.peaks (4.64, 4.64, 53.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 87 + HA LEU 87 OK 100 100 - 100 Peak 2771 from cnoeabs.peaks (1.61, 4.64, 53.94 ppm; 3.74 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 87 + HA LEU 87 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HA LEU 87 OK 59 100 - 60 - 2778=8, 3.1/11244=6...(30) HD2 LYS 24 - HA LEU 87 OK 28 72 - 38 - 3.0/2773=5, 11365/4.3=4...(16) HG3 ARG 49 - HA LEU 87 OK 23 100 - 23 - ~6994=3, 7001/3.0=3...(9) HG3 LYS 34 - HA LEU 87 OK 21 72 - 30 - 2.9/10519=5, 2.9/10799=4...(13) HG LEU 108 - HA LEU 87 OK 12 92 - 13 - 7010/3.6=2, 2787/3.0=1...(4) HG3 LYS 48 - HA LEU 87 OK 12 68 - 18 - 2811/4.0=3, 2803/4.1=3...(6) HG3 ARG 144 - HA LEU 87 OK 11 100 - 11 - 2811/4.0=1, 2787/3.0=1 HB2 LEU 97 - HA LEU 87 lone 8 85 - 10 - 7010/3.6=1, 2787/3.0=1 HG2 ARG 144 - HA LEU 87 lone 7 72 - 10 - 2787/3.0=1 HG2 ARG 141 - HA LEU 87 lone 3 89 - 3 - Peak 2772 from cnoeabs.peaks (1.23, 4.64, 53.94 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 87 + HA LEU 87 OK 100 100 - 100 - 3.0=100 HG12 ILE 101 + HA LEU 87 OK 56 100 - 56 - 2812/4.0=8, 2804/4.1=8...(16) HD3 LYS 123 - HA LEU 87 OK 34 68 - 50 - ~11412=8, 2.9/10055=7...(19) QG2 THR 107 - HA LEU 87 poor 9 72 - 13 - 9252/3.0=1, 7002/3.0=1...(4) Peak 2773 from cnoeabs.peaks (1.30, 4.64, 53.94 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.99: * HG LEU 87 + HA LEU 87 OK 98 100 - 98 - 4.3=79, 2.1/2802=35...(19) HG3 LYS 24 + HA LEU 87 OK 47 100 - 47 - 11337/3.0=9, 2789/3.0=7...(15) HG12 ILE 83 - HA LEU 87 OK 34 99 - 34 - 7012/3.6=5, 7003/3.0=4...(12) HG LEU 79 - HA LEU 87 OK 33 94 - 35 - 2789/3.0=7, 2813/4.0=6...(11) HG13 ILE 58 - HA LEU 87 OK 31 81 - 38 - 1.8/2772=5, 2805/4.1=4...(17) Peak 2774 from cnoeabs.peaks (0.71, 4.64, 53.94 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 87 + HA LEU 87 OK 80 100 - 80 - 4.0=35, 2.1/2802=24...(18) * QD2 LEU 87 + HA LEU 87 OK 78 100 - 78 - 2802=36, 2801/3.0=13...(17) Peak 2775 from cnoeabs.peaks (0.71, 4.64, 53.94 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.96: * QD1 LEU 87 + HA LEU 87 OK 80 100 - 80 - 4.0=35, 2.1/2802=24...(18) QD2 LEU 87 + HA LEU 87 OK 78 100 - 78 - 2802=36, 2801/3.0=13...(16) Peak 2776 from cnoeabs.peaks (7.54, 4.64, 53.94 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * H TRP 88 + HA LEU 87 OK 100 100 - 100 - 3.6=100 H ILE 91 + HA LEU 87 OK 46 94 - 49 - 3.5/11690=13...(8) H LEU 95 - HA LEU 87 OK 13 100 - 13 - 7006/3.0=3, 2816/4.0=2...(5) Peak 2777 from cnoeabs.peaks (8.12, 1.61, 42.32 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 4.0=100 H TYR 115 + HB2 LEU 87 OK 55 100 - 55 - 2785/1.8=12, 2769/3.0=12...(12) H LEU 87 + HB3 LEU 64 OK 46 98 - 47 - 7001=8, 3.0/2771=8...(12) H TYR 115 - HB3 LEU 64 OK 17 97 - 18 - 4.0/8022=4, 4.0/8886=2...(5) Peak 2778 from cnoeabs.peaks (4.64, 1.61, 42.32 ppm; 4.09 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB3 LEU 64 OK 66 98 - 67 - 2771=10, 11244/3.1=8...(31) HA GLN 111 - HB2 LEU 87 OK 33 99 - 34 - 2786/1.8=6, 2810/3.2=6...(9) HA GLN 111 - HB3 LEU 64 OK 31 96 - 32 - 10181/3.1=10, ~11014=6...(7) HA ASP 32 - HB2 LEU 87 OK 25 100 - 25 - 2786/1.8=4, 2810/3.2=3...(11) HA ASN 139 - HB2 LEU 87 OK 21 81 - 25 - 3.0/10495=5, 2786/1.8=4...(9) HG1 THR 110 - HB2 LEU 87 OK 16 99 - 16 - ~9293=4, 2786/1.8=3...(6) HA ASN 139 - HB3 LEU 64 poor 9 78 - 12 - 10363/3.2=3, 3.0/10495=2...(5) HA ASP 32 - HB3 LEU 64 lone 6 97 - 7 - 11244/3.1=1 HG1 THR 110 - HB3 LEU 64 lone 3 96 - 3 - 11244/3.1=1 HA ASP 16 - HB2 LEU 87 lone 2 68 - 2 - HA ASP 16 - HB3 LEU 64 lone 1 64 - 2 - Peak 2779 from cnoeabs.peaks (1.61, 1.61, 42.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 HB3 LEU 64 + HB3 LEU 64 OK 98 98 - 100 Peak 2780 from cnoeabs.peaks (1.23, 1.61, 42.32 ppm; 3.61 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 1.8=100 HG12 ILE 101 + HB2 LEU 87 OK 66 100 - 67 - 2.1/10178=9, 2804/3.1=8...(19) HB3 LEU 87 + HB3 LEU 64 OK 63 98 - 65 - 2787=8, 3.0/2771=5...(31) HD3 LYS 123 - HB2 LEU 87 OK 34 68 - 50 - 2812/3.2=5, ~10060=5...(20) QG2 THR 107 - HB3 LEU 64 OK 23 69 - 34 - 10916/3.1=9, ~10164=7...(10) HG12 ILE 101 - HB3 LEU 64 OK 11 98 - 11 - 2.1/10178=2, 9184/9131=1 QG2 THR 107 - HB2 LEU 87 poor 9 72 - 13 - 9252=1, 2772/3.0=1...(4) HD3 LYS 123 - HB3 LEU 64 lone 4 64 - 6 - ~8374=1, 2.9/11413=1 Peak 2781 from cnoeabs.peaks (1.30, 1.61, 42.32 ppm; 3.94 A): 7 out of 10 assignments used, quality = 1.00: * HG LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.0=100 HG3 LYS 24 + HB2 LEU 87 OK 74 100 - 75 - 10898=11, 2789/1.8=9...(33) HG12 ILE 83 + HB3 LEU 64 OK 65 96 - 67 - 2.1/10003=8, 2525/3.2=8...(22) HG LEU 79 + HB2 LEU 87 OK 62 94 - 66 - ~8890=10, 2789/1.8=8...(28) HG LEU 87 + HB3 LEU 64 OK 61 98 - 62 - 2.1/2803=7, 2.1/2783=7...(29) HG13 ILE 58 + HB2 LEU 87 OK 52 81 - 64 - ~10950=13, ~11003=9...(27) HG12 ILE 83 + HB2 LEU 87 OK 47 99 - 48 - 2789/1.8=5, 2.1/10003=5...(18) HG LEU 79 - HB3 LEU 64 OK 28 91 - 31 - 2386/3.1=4, ~1821=3...(11) HG3 LYS 24 - HB3 LEU 64 OK 21 97 - 21 - 11337=2, 1.8/10905=2...(7) HG13 ILE 58 - HB3 LEU 64 OK 13 78 - 17 - ~8272=6, ~8292=4, ~8292=3 Peak 2782 from cnoeabs.peaks (0.71, 1.61, 42.32 ppm; 3.24 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.2=100 QD1 LEU 87 + HB3 LEU 64 OK 47 98 - 48 - 2811=8, 2.1/2803=6...(24) QD2 LEU 87 + HB3 LEU 64 OK 46 98 - 46 - 2803=8, 2.1/2811=5...(23) Peak 2783 from cnoeabs.peaks (0.71, 1.61, 42.32 ppm; 3.24 A): 4 out of 4 assignments used, quality = 1.00: * QD1 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.2=100 QD2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB3 LEU 64 OK 47 98 - 48 - 2811=8, 2.1/2803=6...(24) QD2 LEU 87 + HB3 LEU 64 OK 46 98 - 46 - 2803=8, 2.1/2811=5...(23) Peak 2784 from cnoeabs.peaks (7.54, 1.61, 42.32 ppm; 4.42 A): 4 out of 6 assignments used, quality = 1.00: * H TRP 88 + HB2 LEU 87 OK 98 100 - 98 - 4.6=87, 7009/3.0=31...(12) H TRP 88 + HB3 LEU 64 OK 70 98 - 71 - 11675/3.0=12, 7010=9...(21) H ILE 91 + HB2 LEU 87 OK 56 94 - 60 - 2808/3.1=14, 2816/3.2=12...(12) H ILE 91 + HB3 LEU 64 OK 53 91 - 58 - ~8376=10, 7056/1.8=8...(17) H LEU 95 - HB2 LEU 87 OK 18 100 - 17 - 2808/3.1=3, 2816/3.2=3...(5) H LEU 95 - HB3 LEU 64 OK 12 98 - 12 - 9058/9026=3, 9058/3.0=2 Peak 2785 from cnoeabs.peaks (8.12, 1.23, 42.32 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 4.0=100 H TYR 115 + HB3 LEU 87 OK 55 100 - 55 - 2769/3.0=13, 2809/3.2=12...(9) Peak 2786 from cnoeabs.peaks (4.64, 1.23, 42.32 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.0=100 HA GLN 111 - HB3 LEU 87 OK 31 99 - 31 - 2810/3.2=6, 2802/3.1=5...(11) HA ASP 32 - HB3 LEU 87 OK 22 100 - 22 - 2810/3.2=3, 2778/1.8=3...(11) HA ASN 139 - HB3 LEU 87 OK 20 81 - 24 - ~10495=5, 2810/3.2=3...(10) HG1 THR 110 - HB3 LEU 87 OK 15 99 - 15 - ~9293=3, 7000/4.0=2...(6) HA ASP 16 - HB3 LEU 87 lone 2 68 - 2 - Peak 2787 from cnoeabs.peaks (1.61, 1.23, 42.32 ppm; 3.88 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 1.8=100 HB3 LEU 64 + HB3 LEU 87 OK 71 100 - 71 - 2780=10, 2771/3.0=6...(32) HD2 LYS 24 - HB3 LEU 87 OK 40 72 - 56 - 3.0/2789=8, 11365/3.0=6...(21) HG3 LYS 34 - HB3 LEU 87 OK 27 72 - 38 - ~520=4, ~10799=3...(18) HG3 ARG 49 - HB3 LEU 87 OK 26 100 - 26 - 2771/3.0=2, 2811/3.2=2...(18) HG3 LYS 48 - HB3 LEU 87 OK 26 68 - 38 - ~10771=5, ~11145=4...(14) HG3 ARG 144 - HB3 LEU 87 OK 19 100 - 19 - 2811/3.2=2, 2803/3.1=2...(6) HG LEU 108 - HB3 LEU 87 OK 18 92 - 20 - ~10231=2, ~3505=2...(9) HB2 LEU 97 - HB3 LEU 87 OK 15 85 - 18 - 4.8/9132=3, 2795/3.0=2...(5) HG2 ARG 144 - HB3 LEU 87 OK 15 72 - 20 - 2811/3.2=1, 2803/3.1=1...(7) HG2 ARG 141 - HB3 LEU 87 lone 4 89 - 4 - Peak 2788 from cnoeabs.peaks (1.23, 1.23, 42.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 87 + HB3 LEU 87 OK 100 100 - 100 Peak 2789 from cnoeabs.peaks (1.30, 1.23, 42.32 ppm; 4.44 A): 5 out of 5 assignments used, quality = 1.00: * HG LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.0=100 HG3 LYS 24 + HB3 LEU 87 OK 77 100 - 78 - 10898/1.8=11, ~10771=9...(31) HG LEU 79 + HB3 LEU 87 OK 71 94 - 75 - ~8890=13, 2813/3.2=9...(30) HG13 ILE 58 + HB3 LEU 87 OK 58 81 - 71 - ~10950=17, ~11003=12...(25) HG12 ILE 83 + HB3 LEU 87 OK 55 99 - 56 - ~10003=6, 9990/8879=6...(19) Peak 2790 from cnoeabs.peaks (0.71, 1.23, 42.32 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.2=100 Peak 2791 from cnoeabs.peaks (0.71, 1.23, 42.32 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.2=100 QD2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.1=100 Peak 2793 from cnoeabs.peaks (8.12, 1.30, 26.06 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 87 + HG LEU 87 OK 98 100 - 98 - 5.2=64, 2801/2.1=33...(17) H TYR 115 + HG LEU 87 OK 48 100 - 48 - 2809/2.1=14, 2801/2.1=13...(8) H LEU 87 - HG LEU 79 OK 19 52 - 37 - 4.4/2813=6, 7003=6...(10) H TYR 115 - HG LEU 79 lone 4 51 - 7 - 2809/2813=1, 8831/10056=1 Peak 2794 from cnoeabs.peaks (4.64, 1.30, 26.06 ppm; 4.87 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 87 + HG LEU 87 OK 100 100 - 100 - 4.3=100 HA GLN 111 - HG LEU 87 OK 36 99 - 37 - 2810/2.1=9, ~8907=8...(7) HA LEU 87 - HG LEU 79 OK 24 52 - 47 - 4.0/2813=8, 3.0/2789=8...(12) HA ASP 32 - HG LEU 87 OK 21 100 - 21 - 2810/2.1=5, 2786/3.0=5...(5) HA ASN 139 - HG LEU 87 OK 21 81 - 25 - ~10495=6, 2810/2.1=5...(8) HG1 THR 110 - HG LEU 87 OK 13 99 - 14 - 2786/3.0=3, 2810/2.1=3...(5) HA GLN 111 - HG LEU 79 OK 11 49 - 22 - ~11022=11, ~11024=5, 10181/2.1=2 HA ASN 139 - HG LEU 79 poor 6 36 - 16 - ~9937=8, 10363/2518=2, ~9726=2 HA ASP 32 - HG LEU 79 lone 2 51 - 4 - HA ASP 16 - HG LEU 87 lone 2 68 - 2 - HG1 THR 110 - HG LEU 79 lone 1 49 - 2 - HA ASP 16 - HG LEU 79 lone 1 28 - 2 - ~9938=1 Peak 2795 from cnoeabs.peaks (1.61, 1.30, 26.06 ppm; 3.46 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 87 + HG LEU 87 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HG LEU 87 OK 50 100 - 51 - 2803/2.1=6, 2783/2.1=6...(28) HD2 LYS 24 - HG LEU 87 OK 39 72 - 55 - 11365=7, 3.0/11334=6...(22) HB2 LEU 87 - HG LEU 79 OK 27 52 - 53 - ~8890=7, 1.8/2789=7...(24) HG3 LYS 48 - HG LEU 87 OK 23 68 - 35 - ~10771=5, ~11145=4...(11) HG3 ARG 49 - HG LEU 87 OK 19 100 - 19 - 2811/2.1=2, 2803/2.1=2...(7) HG3 LYS 34 - HG LEU 87 OK 19 72 - 26 - ~8898=3, ~8898=3...(11) HB2 LEU 97 - HG LEU 87 OK 17 85 - 20 - 4.8/9145=5, 4.8/9146=4...(6) HG3 ARG 144 - HG LEU 87 OK 15 100 - 15 - 2811/2.1=2, 2803/2.1=2...(5) HG LEU 108 - HG LEU 87 OK 14 92 - 15 - 2.1/10231=3, 2811/2.1=2...(4) HG2 ARG 144 - HG LEU 87 OK 12 72 - 17 - 2811/2.1=1, 2803/2.1=1...(8) HB3 LEU 64 - HG LEU 79 OK 12 52 - 23 - ~1821=3, 1829/2.1=2...(10) HD2 LYS 24 - HG LEU 79 poor 6 31 - 19 - 3.0/10907=3, 10914=2...(8) HB2 LEU 97 - HG LEU 79 poor 4 38 - 10 - 4.8/9146=2, 4.8/9145=2 HG LEU 108 - HG LEU 79 lone 4 43 - 8 - HG2 ARG 141 - HG LEU 87 lone 3 89 - 3 - HG3 ARG 49 - HG LEU 79 lone 3 52 - 5 - HG3 ARG 144 - HG LEU 79 lone 2 52 - 4 - HG2 ARG 141 - HG LEU 79 lone 1 41 - 4 - HG3 LYS 34 - HG LEU 79 lone 1 31 - 3 - HG2 ARG 144 - HG LEU 79 lone 1 31 - 3 - HG3 LYS 48 - HG LEU 79 lone 1 28 - 2 - Peak 2796 from cnoeabs.peaks (1.23, 1.30, 26.06 ppm; 3.03 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 87 + HG LEU 87 OK 100 100 - 100 - 3.0=100 HG12 ILE 101 + HG LEU 87 OK 52 100 - 53 - 2.1/10129=16...(16) HB3 LEU 87 - HG LEU 79 OK 23 52 - 45 - 2789=7, ~8890=4...(21) HD3 LYS 123 - HG LEU 87 OK 23 68 - 33 - 2812/2.1=5, 2804/2.1=5...(15) QG2 THR 107 - HG LEU 87 lone 6 72 - 8 - 2812/2.1=1 HG12 ILE 101 - HG LEU 79 lone 4 51 - 7 - 2.1/10129=2 HD3 LYS 123 - HG LEU 79 lone 2 28 - 8 - ~8738=2, ~8738=2, ~8741=1 QG2 THR 107 - HG LEU 79 lone 1 31 - 4 - 9247/2.1=2 Peak 2797 from cnoeabs.peaks (1.30, 1.30, 26.06 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG LEU 87 + HG LEU 87 OK 100 100 - 100 HG LEU 79 - HG LEU 79 OK 45 45 - 100 Peak 2798 from cnoeabs.peaks (0.71, 1.30, 26.06 ppm; 2.84 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 - HG LEU 79 OK 26 52 - 51 - 8890/3.0=15, 2813=8...(21) QD2 LEU 87 - HG LEU 79 OK 23 52 - 44 - 2805=8, ~8890=6...(19) Peak 2799 from cnoeabs.peaks (0.71, 1.30, 26.06 ppm; 2.84 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD2 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 - HG LEU 79 OK 26 52 - 51 - 8890/3.0=15, 2813=8...(21) QD2 LEU 87 - HG LEU 79 OK 23 52 - 44 - 2805=8, ~8890=6...(19) Peak 2801 from cnoeabs.peaks (8.12, 0.71, 22.21 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.95: * H LEU 87 + QD2 LEU 87 OK 93 100 - 93 - 4.8=38, 3.0/2802=26...(24) H TYR 115 + QD2 LEU 87 OK 36 100 - 36 - 2809/2.1=9, 2793/2.1=6...(8) Peak 2802 from cnoeabs.peaks (4.64, 0.71, 22.21 ppm; 2.59 A): 2 out of 6 assignments used, quality = 0.73: * HA LEU 87 + QD2 LEU 87 OK 70 100 - 70 - 4.1=25, 2775/2.1=14...(16) HA GLN 111 + QD2 LEU 87 OK 11 99 - 12 - 2810/2.1=3, ~8907=2...(5) HA ASP 32 - QD2 LEU 87 lone 6 100 - 6 - 2810/2.1=2, 2786/3.1=1 HA ASN 139 - QD2 LEU 87 lone 5 81 - 7 - 2810/2.1=2, ~10495=1, 2786/3.1=1 HG1 THR 110 - QD2 LEU 87 lone 4 99 - 4 - HA ASP 16 - QD2 LEU 87 lone 0 68 - 1 - Peak 2803 from cnoeabs.peaks (1.61, 0.71, 22.21 ppm; 2.91 A): 2 out of 11 assignments used, quality = 0.96: * HB2 LEU 87 + QD2 LEU 87 OK 94 100 - 94 - 3.1=79, 1.8/2804=19...(18) HB3 LEU 64 + QD2 LEU 87 OK 38 100 - 38 - 2782=6, 2783/2.1=4...(14) HD2 LYS 24 - QD2 LEU 87 OK 26 72 - 36 - 3.0/10771=7, 3.0/2805=5...(16) HG3 LYS 48 - QD2 LEU 87 OK 19 68 - 27 - 1.8/10771=6, 2811/2.1=3...(11) HG3 ARG 49 - QD2 LEU 87 OK 14 100 - 14 - 2811/2.1=2, 1277/8665=2...(5) HG3 LYS 34 - QD2 LEU 87 OK 12 72 - 17 - 2.9/8898=4, 2811/2.1=2...(6) HG3 ARG 144 - QD2 LEU 87 OK 11 100 - 11 - 2811/2.1=2 HG LEU 108 - QD2 LEU 87 lone 8 92 - 9 - ~10231=2, 2811/2.1=1 HG2 ARG 144 - QD2 LEU 87 poor 8 72 - 11 - 2811/2.1=1 HB2 LEU 97 - QD2 LEU 87 lone 6 85 - 7 - 2795/2.1=1 HG2 ARG 141 - QD2 LEU 87 lone 2 89 - 3 - Peak 2804 from cnoeabs.peaks (1.23, 0.71, 22.21 ppm; 2.88 A): 2 out of 4 assignments used, quality = 0.96: * HB3 LEU 87 + QD2 LEU 87 OK 93 100 - 93 - 3.1=77, 3.0/2802=18...(19) HG12 ILE 101 + QD2 LEU 87 OK 42 100 - 42 - 2812/2.1=7, 2796/2.1=7...(16) HD3 LYS 123 - QD2 LEU 87 OK 25 68 - 37 - 2.9/10060=9, 2812/2.1=5...(13) QG2 THR 107 - QD2 LEU 87 lone 5 72 - 7 - Peak 2805 from cnoeabs.peaks (1.30, 0.71, 22.21 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 2.1=100 HG3 LYS 24 - QD2 LEU 87 OK 42 100 - 42 - 1.8/10771=7, 2813/2.1=5...(17) HG LEU 79 - QD2 LEU 87 OK 37 94 - 39 - ~8890=6, 2813/2.1=5...(16) HG13 ILE 58 - QD2 LEU 87 OK 33 81 - 40 - 2.1/10950=14, ~11003=5...(15) HG12 ILE 83 - QD2 LEU 87 OK 22 99 - 22 - 2813/2.1=3, 2789/3.1=2...(13) Peak 2806 from cnoeabs.peaks (0.71, 0.71, 22.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 87 + QD2 LEU 87 OK 100 100 - 100 Peak 2807 from cnoeabs.peaks (0.71, 0.71, 22.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 87 + QD2 LEU 87 OK 100 100 - 100 Reference assignment not found: QD1 LEU 87 - QD2 LEU 87 Peak 2808 from cnoeabs.peaks (7.54, 0.71, 22.21 ppm; 3.68 A): 3 out of 3 assignments used, quality = 0.92: * H TRP 88 + QD2 LEU 87 OK 79 100 - 79 - 7013=24, 3.6/2802=23...(17) H ILE 91 + QD2 LEU 87 OK 57 94 - 61 - 4.7/8898=12, 2816/2.1=10...(16) H LEU 95 + QD2 LEU 87 OK 13 100 - 13 - 2816/2.1=3, 2776/4.1=2...(4) Peak 2809 from cnoeabs.peaks (8.12, 0.71, 25.72 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 87 + QD1 LEU 87 OK 99 100 - 99 - 4.4=74, 2801/2.1=29...(25) H TYR 115 + QD1 LEU 87 OK 49 100 - 49 - 2801/2.1=11, 2793/2.1=8...(12) Peak 2810 from cnoeabs.peaks (4.64, 0.71, 25.72 ppm; 3.88 A): 1 out of 6 assignments used, quality = 0.99: * HA LEU 87 + QD1 LEU 87 OK 99 100 - 99 - 4.0=89, 2802/2.1=34...(24) HA GLN 111 - QD1 LEU 87 OK 35 99 - 36 - 2.9/8907=8, 2802/2.1=6...(11) HA ASP 32 - QD1 LEU 87 OK 19 100 - 19 - 2810=5, 2786/3.2=3...(7) HA ASN 139 - QD1 LEU 87 OK 18 81 - 23 - 2810=5, ~10495=3...(9) HG1 THR 110 - QD1 LEU 87 OK 11 99 - 11 - 2786/3.2=2, 2802/2.1=2...(5) HA ASP 16 - QD1 LEU 87 lone 1 68 - 2 - Peak 2811 from cnoeabs.peaks (1.61, 0.71, 25.72 ppm; 3.29 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 3.2=100 HB3 LEU 64 + QD1 LEU 87 OK 50 100 - 50 - 2783=8, 2803/2.1=6...(26) HD2 LYS 24 - QD1 LEU 87 OK 34 72 - 47 - 2811=7, 3.0/2813=6...(20) HG3 LYS 48 - QD1 LEU 87 OK 29 68 - 42 - 1.8/11145=7, 2811=6...(13) HG3 ARG 49 - QD1 LEU 87 OK 21 100 - 21 - 2811=3, 3.0/10061=2...(8) HG3 ARG 144 - QD1 LEU 87 OK 19 100 - 18 - 2811=3, 3.0/10061=2...(6) HG3 LYS 34 - QD1 LEU 87 OK 18 72 - 25 - 2811=4, ~8898=3, ~8898=3...(10) HG LEU 108 - QD1 LEU 87 OK 13 92 - 14 - ~10231=2, 2811=2...(4) HG2 ARG 144 - QD1 LEU 87 OK 13 72 - 17 - 3.0/10061=2, 1.8/2811=2...(6) HB2 LEU 97 - QD1 LEU 87 poor 9 85 - 11 - 2795/2.1=1, ~11006=1, 2811=1 HG2 ARG 141 - QD1 LEU 87 lone 4 89 - 5 - Peak 2812 from cnoeabs.peaks (1.23, 0.71, 25.72 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 3.2=98, 2804/2.1=20...(20) HG12 ILE 101 + QD1 LEU 87 OK 53 100 - 53 - 2804/2.1=9, 2796/2.1=8...(18) HD3 LYS 123 - QD1 LEU 87 OK 33 68 - 50 - 3.7/9465=10, 2.9/10066=8...(20) QG2 THR 107 - QD1 LEU 87 lone 7 72 - 9 - 8808/8883=1, 2804/2.1=1 Peak 2813 from cnoeabs.peaks (1.30, 0.71, 25.72 ppm; 2.98 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 2.1=100 HG3 LYS 24 + QD1 LEU 87 OK 53 100 - 54 - 2813=9, 2805/2.1=6...(21) HG LEU 79 + QD1 LEU 87 OK 53 94 - 56 - 3.0/8890=17, 2813=10...(24) HG13 ILE 58 - QD1 LEU 87 OK 36 81 - 45 - ~10950=10, ~11003=6...(20) HG12 ILE 83 - QD1 LEU 87 OK 32 99 - 32 - 2813=5, 2805/2.1=3...(16) Peak 2814 from cnoeabs.peaks (0.71, 0.71, 25.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 87 + QD1 LEU 87 OK 100 100 - 100 Reference assignment not found: QD2 LEU 87 - QD1 LEU 87 Peak 2815 from cnoeabs.peaks (0.71, 0.71, 25.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 87 + QD1 LEU 87 OK 100 100 - 100 Peak 2816 from cnoeabs.peaks (7.54, 0.71, 25.72 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.96: * H TRP 88 + QD1 LEU 87 OK 87 100 - 87 - 7009/4.0=24, 7014=24...(20) H ILE 91 + QD1 LEU 87 OK 70 94 - 74 - 2808/2.1=17...(13) H LEU 95 - QD1 LEU 87 OK 19 100 - 19 - 2808/2.1=4, 7006/4.4=3...(6) Peak 2817 from cnoeabs.peaks (7.54, 4.17, 60.43 ppm; 3.56 A): 2 out of 9 assignments used, quality = 1.00: * H TRP 88 + HA TRP 88 OK 100 100 - 100 - 3.0=100 H ILE 91 + HA TRP 88 OK 69 94 - 73 - 7046=16, 4.0/8976=11...(18) H TRP 88 - HA PHE 38 OK 18 71 - 25 - 7015=5, 4.0/2830=3...(10) H LEU 95 - HA TRP 88 OK 16 100 - 16 - 4.9/8932=2, 9057/8976=2...(7) H ILE 91 - HA PHE 38 OK 10 62 - 16 - 7046=4, 4.4/8989=2...(7) H TRP 88 - HA GLU 120 poor 9 60 - 15 - 7015=3, 4.0/2830=2...(6) H ILE 91 - HA GLU 120 poor 6 52 - 12 - 7046=3, 4.4/4013=2...(6) H LEU 95 - HA PHE 38 lone 2 71 - 2 - H LEU 95 - HA GLU 120 lone 1 60 - 2 - Peak 2818 from cnoeabs.peaks (4.17, 4.17, 60.43 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA TRP 88 + HA TRP 88 OK 100 100 - 100 HA PHE 38 + HA PHE 38 OK 71 71 - 100 HA GLU 120 + HA GLU 120 OK 52 52 - 100 Peak 2819 from cnoeabs.peaks (3.30, 4.17, 60.43 ppm; 3.62 A): 1 out of 12 assignments used, quality = 1.00: * HB2 TRP 88 + HA TRP 88 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 - HA TRP 88 OK 37 100 - 37 - 2819=7, 2841/3.0=6...(11) HD2 ARG 124 - HA TRP 88 OK 29 100 - 28 - 2819=7, 2841/3.0=5...(10) HB2 TRP 88 - HA PHE 38 OK 16 71 - 23 - 2830=4, 1.8/2840=4...(11) HB2 TRP 88 - HA GLU 120 poor 10 60 - 16 - 2830=3, 1.8/2840=2...(7) HB3 TRP 17 - HA TRP 88 lone 3 85 - 4 - HD3 ARG 109 - HA PHE 38 lone 1 70 - 2 - HD2 ARG 124 - HA PHE 38 lone 1 71 - 1 - HD2 ARG 124 - HA GLU 120 lone 1 60 - 2 - HD3 ARG 109 - HA GLU 120 lone 1 60 - 1 - HB3 TRP 17 - HA PHE 38 lone 0 54 - 1 - HB3 TRP 17 - HA GLU 120 lone 0 45 - 0 - Peak 2820 from cnoeabs.peaks (3.07, 4.17, 60.43 ppm; 4.06 A): 1 out of 30 assignments used, quality = 1.00: * HB3 TRP 88 + HA TRP 88 OK 100 100 - 100 - 3.0=100 HB2 TYR 27 - HA TRP 88 OK 41 92 - 45 - 2.6/10058=7, 2820=6...(16) HD3 ARG 49 - HA TRP 88 OK 32 81 - 39 - 2820=8, 2832/3.0=5...(15) HA TYR 119 - HA GLU 120 OK 23 31 - 75 - 4.9=57, ~7474=16...(7) HB3 TRP 88 - HA PHE 38 OK 22 71 - 31 - 2840=6, 1.8/2830=5...(14) HE2 LYS 86 - HA TRP 88 OK 16 100 - 16 - 7017/3.0=3, 2820=3...(5) HE3 LYS 86 - HA TRP 88 OK 16 99 - 16 - 7017/3.0=3, 2820=3...(5) HB3 TRP 88 - HA GLU 120 OK 13 60 - 21 - 2840=3, 1.8/2830=3...(9) HA2 GLY 78 - HA TRP 88 OK 12 72 - 16 - 2820=3, 3.0/8694=3...(4) HA TYR 119 - HA TRP 88 OK 11 62 - 18 - 2.8/9424=3, 3.6/7483=2...(7) HD3 ARG 49 - HA PHE 38 OK 10 51 - 20 - 9829/3.1=6, ~9786=2...(8) HE3 LYS 34 - HA PHE 38 poor 6 57 - 11 - ~8099=7, ~8099=3 HE2 LYS 86 - HA PHE 38 lone 6 69 - 9 - 11488/3.1=3, ~11488=2, ~11565=2 HE3 LYS 86 - HA PHE 38 lone 6 68 - 9 - 11488/3.1=3, ~11488=2, ~11565=2 HB3 ASP 30 - HA TRP 88 lone 5 100 - 5 - 2820=1 HE2 LYS 34 - HA PHE 38 poor 5 44 - 11 - ~8099=7, ~8099=3 HE3 LYS 34 - HA TRP 88 lone 4 89 - 4 - HA TYR 119 - HA PHE 38 poor 4 37 - 10 - 3.6/7483=3, 2.8/9424=2 HD3 ARG 49 - HA GLU 120 lone 3 42 - 7 - 7478/2.9=2, 7492/3.6=2 HB2 TYR 27 - HA PHE 38 lone 3 60 - 4 - 2.6/2822=1 HE2 LYS 34 - HA TRP 88 lone 2 72 - 3 - HA2 GLY 78 - HA GLU 120 lone 2 36 - 5 - 7492/3.6=2, 7478/2.9=2 HA2 GLY 78 - HA PHE 38 lone 1 44 - 2 - HB3 ASP 30 - HA PHE 38 lone 1 71 - 1 - HE2 LYS 86 - HA GLU 120 lone 1 59 - 1 - HE3 LYS 86 - HA GLU 120 lone 1 58 - 1 - HB2 TYR 27 - HA GLU 120 lone 1 50 - 2 - HE3 LYS 34 - HA GLU 120 lone 1 48 - 2 - HB3 ASP 30 - HA GLU 120 lone 1 60 - 1 - HE2 LYS 34 - HA GLU 120 lone 1 36 - 1 - Peak 2821 from cnoeabs.peaks (7.49, 4.17, 60.43 ppm; 5.28 A): 1 out of 18 assignments used, quality = 1.00: * HD1 TRP 88 + HA TRP 88 OK 100 100 - 100 - 4.6=100 H TYR 70 - HA PHE 38 OK 34 66 - 51 - 8490/4.7=25, 6712/3.0=8...(10) HE ARG 49 - HA TRP 88 OK 33 89 - 38 - 2.9/2820=8, 2843/3.0=8...(10) H TYR 70 - HA TRP 88 OK 31 98 - 32 - 2833/3.0=7, 2843/3.0=6...(7) HE ARG 49 - HA PHE 38 OK 16 57 - 28 - ~9829=12, ~798=4, ~807=4...(7) HD1 TRP 88 - HA PHE 38 OK 15 70 - 22 - 3.9/2830=6, 3.9/2840=5...(6) H TYR 70 - HA GLU 120 OK 11 56 - 20 - 6700/4.9=3, 3.6/4007=3...(8) HD1 TRP 88 - HA GLU 120 poor 10 60 - 16 - 3.9/2830=3, 3.9/2840=3...(7) HE22 GLN 25 - HA TRP 88 poor 8 62 - 13 - 3.5/2828=3, 3.5/2828=2 HE21 GLN 47 - HA TRP 88 lone 6 100 - 5 - HE22 GLN 62 - HA TRP 88 lone 4 81 - 5 - HE ARG 49 - HA GLU 120 lone 4 48 - 9 - 11686/4.9=3, ~7478=3 HE22 GLN 25 - HA PHE 38 lone 2 37 - 5 - ~6242=1 HE21 GLN 47 - HA PHE 38 lone 1 71 - 2 - HE22 GLN 62 - HA GLU 120 lone 1 42 - 3 - HE22 GLN 62 - HA PHE 38 lone 1 51 - 2 - HE21 GLN 47 - HA GLU 120 lone 1 60 - 2 - HE22 GLN 25 - HA GLU 120 lone 1 31 - 2 - Peak 2822 from cnoeabs.peaks (7.20, 4.17, 60.43 ppm; 3.60 A): 5 out of 12 assignments used, quality = 0.80: * HE3 TRP 88 + HA TRP 88 OK 57 100 - 57 - 5.1=36, 7019/3.0=15...(9) QD TYR 27 + HA TRP 88 OK 29 100 - 29 - 7019/3.0=6, 11014/3.0=5...(10) H LYS 36 + HA PHE 38 OK 14 47 - 30 - 6235/2.9=18, ~6236=6...(4) H GLU 37 + HA PHE 38 OK 13 37 - 36 - 6237/2.9=16, 6254/3.6=7...(7) HE3 TRP 88 + HA PHE 38 OK 12 71 - 16 - 6235/2.9=3, 4.2/2830=2...(5) H GLU 37 - HA TRP 88 poor 10 62 - 16 - 3.6/6243=4, 10057/3.0=2 H LYS 36 - HA TRP 88 lone 8 77 - 10 - 8997/8929=2, 9975/8931=1...(4) HE3 TRP 88 - HA GLU 120 poor 7 60 - 12 - 10303/4.9=3, 11061=2...(4) QD TYR 27 - HA PHE 38 lone 4 71 - 6 - 6254/3.6=1, 6235/2.9=1 H GLU 37 - HA GLU 120 poor 3 31 - 10 - 3.6/6243=3, 10303/4.9=3 QD TYR 27 - HA GLU 120 lone 2 60 - 4 - 10303/4.9=2 H LYS 36 - HA GLU 120 lone 1 39 - 2 - Peak 2827 from cnoeabs.peaks (7.53, 4.17, 60.43 ppm; 3.56 A): 2 out of 9 assignments used, quality = 0.99: H TRP 88 + HA TRP 88 OK 94 94 - 100 - 3.0=100 * H ILE 91 + HA TRP 88 OK 73 100 - 73 - 7046=18, 4.0/8976=11...(18) H TRP 88 - HA PHE 38 OK 15 62 - 25 - 7015=5, 4.0/2830=3...(10) H LEU 95 - HA TRP 88 OK 15 92 - 16 - 4.9/8932=2, 4.8/10093=2...(6) H ILE 91 - HA PHE 38 OK 12 71 - 17 - 7046=4, 4.4/8989=2...(7) H TRP 88 - HA GLU 120 poor 8 52 - 15 - 7015=3, 4.0/2830=2...(6) H ILE 91 - HA GLU 120 poor 7 60 - 12 - 7046=3, 4.4/4013=2...(6) H LEU 95 - HA PHE 38 lone 1 60 - 2 - H LEU 95 - HA GLU 120 lone 1 50 - 2 - Peak 2828 from cnoeabs.peaks (2.39, 4.17, 60.43 ppm; 3.84 A): 2 out of 24 assignments used, quality = 0.93: * HB ILE 91 + HA TRP 88 OK 86 100 - 86 - 2828=26, 2.1/8976=20...(21) HG3 GLU 37 + HA PHE 38 OK 49 68 - 72 - ~779=18, 786/2.9=17...(13) HB ILE 91 - HA PHE 38 OK 22 71 - 30 - 786/2.9=8, 2953=4...(9) HG2 MET 46 - HA TRP 88 OK 21 100 - 21 - 2828=5, 3.3/10486=4...(8) HG3 MET 59 - HA TRP 88 OK 18 100 - 18 - 2828=4, 1.8/2828=3...(4) HG2 MET 59 - HA TRP 88 OK 17 99 - 17 - 2828=4, 1.8/2828=3...(4) HG2 MET 46 - HA GLU 120 OK 17 60 - 28 - 1066/3.6=7, 3.0/4007=3...(13) HG2 GLN 25 - HA TRP 88 OK 15 100 - 15 - 1.8/2828=3, 10586/8976=2...(4) HG3 GLU 37 - HA TRP 88 OK 14 99 - 14 - 2953=2, 10310/8931=2...(5) HG2 MET 46 - HA PHE 38 poor 10 71 - 14 - 6242/2.9=2, 1069/3.0=1...(4) HB ILE 91 - HA GLU 120 poor 9 60 - 15 - 3.0/4013=3, 2953=2...(6) HG3 GLN 25 - HA TRP 88 lone 5 68 - 8 - 2828=2 HG3 MET 11 - HA PHE 38 lone 5 47 - 10 - 754/4.9=2, 6242/2.9=2, ~10947=2 HG2 GLN 25 - HA PHE 38 lone 4 71 - 5 - 6242/2.9=1 HG3 MET 59 - HA PHE 38 lone 4 71 - 5 - 6242/2.9=1 HG2 MET 59 - HA PHE 38 lone 4 68 - 5 - 6242/2.9=1 HG3 MET 11 - HA TRP 88 lone 3 77 - 4 - HG3 GLU 37 - HA GLU 120 lone 2 58 - 3 - HG3 GLN 25 - HA PHE 38 lone 1 40 - 3 - HG2 GLN 25 - HA GLU 120 lone 1 60 - 2 - HG3 MET 59 - HA GLU 120 lone 1 60 - 2 - HG2 MET 59 - HA GLU 120 lone 1 58 - 2 - HG3 MET 11 - HA GLU 120 lone 0 39 - 1 - HG3 GLN 25 - HA GLU 120 lone 0 34 - 1 - Peak 2829 from cnoeabs.peaks (7.54, 3.30, 29.09 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 4.0=100 H ILE 91 - HB2 TRP 88 OK 37 94 - 39 - 4.4/10637=14...(5) H LEU 95 - HB2 TRP 88 lone 8 100 - 8 - 2817/3.0=2, 2839/1.8=2...(4) Peak 2830 from cnoeabs.peaks (4.17, 3.30, 29.09 ppm; 4.44 A): 1 out of 7 assignments used, quality = 1.00: * HA TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 3.0=100 HA LEU 64 - HB2 TRP 88 OK 43 100 - 43 - 2840/1.8=9, 7015/4.0=6...(12) HA PHE 38 - HB2 TRP 88 OK 34 100 - 34 - 2840/1.8=6, 2819=4...(14) HA GLU 120 - HB2 TRP 88 OK 21 94 - 22 - 2840/1.8=3, 2819=2...(10) HG1 THR 74 - HB2 TRP 88 OK 17 100 - 17 - 2840/1.8=3, ~8619=3...(7) HB3 SER 44 - HB2 TRP 88 lone 4 85 - 4 - HB2 SER 44 - HB2 TRP 88 lone 4 85 - 4 - Peak 2831 from cnoeabs.peaks (3.30, 3.30, 29.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 88 + HB2 TRP 88 OK 100 100 - 100 Peak 2832 from cnoeabs.peaks (3.07, 3.30, 29.09 ppm; 3.64 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 1.8=100 HB2 TYR 27 - HB2 TRP 88 OK 29 92 - 31 - 2.6/11013=5, ~11014=5...(14) HD3 ARG 49 - HB2 TRP 88 OK 23 81 - 28 - 2820/3.0=4, 2.9/2833=3...(13) HE2 LYS 86 - HB2 TRP 88 lone 8 100 - 8 - 7017/4.0=2, 2820/3.0=1 HE3 LYS 86 - HB2 TRP 88 lone 8 99 - 8 - 7017/4.0=2, 2820/3.0=1 HA2 GLY 78 - HB2 TRP 88 lone 7 72 - 10 - 2820/3.0=2, ~2352=1...(4) HA TYR 119 - HB2 TRP 88 poor 7 62 - 11 - 10303/4.2=2, ~9424=2...(4) HB3 ASP 30 - HB2 TRP 88 lone 3 100 - 3 - HE3 LYS 34 - HB2 TRP 88 lone 2 89 - 2 - HE2 LYS 34 - HB2 TRP 88 lone 1 72 - 2 - Peak 2833 from cnoeabs.peaks (7.49, 3.30, 29.09 ppm; 5.01 A): 1 out of 6 assignments used, quality = 1.00: * HD1 TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 3.9=100 H TYR 70 - HB2 TRP 88 OK 32 98 - 33 - 9210/8928=14, 2843/1.8=7...(6) HE ARG 49 - HB2 TRP 88 OK 31 89 - 35 - 2843/1.8=8, 2.9/2832=8...(9) HE22 GLN 25 - HB2 TRP 88 lone 4 62 - 6 - ~2828=1 HE21 GLN 47 - HB2 TRP 88 lone 3 100 - 3 - HE22 GLN 62 - HB2 TRP 88 lone 2 81 - 3 - Peak 2839 from cnoeabs.peaks (7.54, 3.07, 29.09 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 4.0=100 H ILE 91 - HB3 TRP 88 OK 34 94 - 36 - 7046/3.0=12, 2829/1.8=10...(5) H LEU 95 - HB3 TRP 88 lone 7 100 - 6 - 2817/3.0=2, 2829/1.8=2 Peak 2840 from cnoeabs.peaks (4.17, 3.07, 29.09 ppm; 4.51 A): 2 out of 7 assignments used, quality = 1.00: * HA TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 3.0=100 HA LEU 64 + HB3 TRP 88 OK 47 100 - 47 - 3.9/9881=10, 2830/1.8=8...(12) HA PHE 38 - HB3 TRP 88 OK 35 100 - 35 - 2830/1.8=6, 7015/4.0=4...(14) HA GLU 120 - HB3 TRP 88 OK 21 94 - 22 - 2830/1.8=4, ~4004=2...(10) HG1 THR 74 - HB3 TRP 88 OK 19 100 - 19 - 2830/1.8=3, ~8619=3...(7) HB3 SER 44 - HB3 TRP 88 lone 4 85 - 5 - HB2 SER 44 - HB3 TRP 88 lone 4 85 - 5 - Peak 2841 from cnoeabs.peaks (3.30, 3.07, 29.09 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 1.8=100 HD3 ARG 109 - HB3 TRP 88 OK 38 100 - 38 - 8916/5.3=6, 10739/7.3=6...(12) HD2 ARG 124 - HB3 TRP 88 OK 28 100 - 28 - 2819/3.0=5, ~4255=4...(10) HB3 TRP 17 - HB3 TRP 88 lone 4 85 - 4 - Peak 2842 from cnoeabs.peaks (3.07, 3.07, 29.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 88 + HB3 TRP 88 OK 100 100 - 100 Peak 2843 from cnoeabs.peaks (7.49, 3.07, 29.09 ppm; 4.90 A): 1 out of 6 assignments used, quality = 1.00: * HD1 TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 3.9=100 HE ARG 49 - HB3 TRP 88 OK 36 89 - 40 - 2833/1.8=7, ~2832=5...(14) H TYR 70 - HB3 TRP 88 OK 29 98 - 30 - 9210/8927=14, 2833/1.8=7...(5) HE22 GLN 25 - HB3 TRP 88 lone 4 62 - 6 - ~2828=1 HE21 GLN 47 - HB3 TRP 88 lone 3 100 - 3 - HE22 GLN 62 - HB3 TRP 88 lone 2 81 - 3 - Peak 2849 from cnoeabs.peaks (4.29, 4.29, 59.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 89 + HA ARG 89 OK 100 100 - 100 Peak 2850 from cnoeabs.peaks (1.93, 4.29, 59.11 ppm; 3.12 A): 2 out of 11 assignments used, quality = 1.00: * HB2 ARG 89 + HA ARG 89 OK 100 100 - 100 - 3.0=100 HB2 ARG 140 + HA ARG 89 OK 70 96 - 73 - 1.8/2851=9, 2868/3.0=8...(40) HG2 PRO 52 - HA ARG 89 OK 29 98 - 30 - 2.3/2854=3, 2868/3.0=3...(10) HB3 PRO 52 - HA ARG 89 OK 29 99 - 29 - 3.0/2854=3, 2868/3.0=3...(10) HB2 PRO 118 - HA ARG 89 OK 20 77 - 25 - 2868/3.0=2, 3948=2...(11) HB2 GLN 62 - HA ARG 89 OK 11 94 - 11 - 2851=2, 7032/3.5=1, 2861/3.0=1 HB3 LEU 132 - HA ARG 89 poor 10 89 - 11 - 1.8/8949=3, 7032/3.5=2 HG2 PRO 12 - HA ARG 89 lone 6 94 - 6 - HG3 PRO 12 - HA ARG 89 lone 5 85 - 6 - HB3 GLU 122 - HA ARG 89 lone 3 92 - 3 - HB2 MET 59 - HA ARG 89 lone 2 68 - 3 - Peak 2851 from cnoeabs.peaks (1.90, 4.29, 59.11 ppm; 3.10 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ARG 89 + HA ARG 89 OK 100 100 - 100 - 3.0=100 HB3 ARG 140 + HA ARG 89 OK 67 92 - 73 - 4724=9, 1.8/2850=8...(40) HB3 LYS 93 - HA ARG 89 OK 32 89 - 36 - 4.1/7079=11, 3033/4.9=5...(11) HB ILE 136 - HA ARG 89 OK 21 77 - 28 - 2850=4, 2.1/8948=2...(8) HB3 LEU 69 - HA ARG 89 OK 17 98 - 17 - 3.2/8947=4, 7033/3.5=1...(4) HB ILE 101 - HA ARG 89 OK 15 100 - 15 - 2.1/8948=2, 3.9/7184=1 HB3 GLN 111 - HA ARG 89 OK 12 100 - 12 - 7033/3.5=1, 2861/3.0=1 HG13 ILE 83 - HA ARG 89 OK 11 68 - 17 - 3.2/8948=6, 2850=1 HB2 LYS 24 - HA ARG 89 lone 9 100 - 9 - HB3 ARG 141 - HA ARG 89 poor 9 77 - 11 - 3.0/2858=3 QE MET 68 - HA ARG 89 lone 6 94 - 7 - Peak 2852 from cnoeabs.peaks (1.67, 4.29, 59.11 ppm; 3.65 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HA ARG 89 OK 99 100 - 99 - 3.8=91, 1.8/2883=28...(27) HG2 ARG 140 + HA ARG 89 OK 66 81 - 81 - 1.8/4742=12, 4733=9...(38) HD2 LYS 93 - HA ARG 89 OK 27 77 - 35 - 6.2/7079=8, 7034/3.5=3...(12) HG13 ILE 136 - HA ARG 89 OK 22 77 - 28 - 2.3/8948=4, 2.9/2850=3...(11) HD3 LYS 93 - HA ARG 89 OK 20 62 - 33 - 6.2/7079=8, 3.4/2851=3...(11) HB2 LEU 95 - HA ARG 89 OK 18 100 - 18 - 3.9/10069=7, 7034/3.5=3...(6) HG2 ARG 124 - HA ARG 89 OK 14 100 - 14 - 3.0/2855=2, 2862/3.0=2...(4) HB2 MET 68 - HA ARG 89 OK 11 99 - 11 - 1965/3.0=2, 2862/3.0=1 HD2 LYS 48 - HA ARG 89 OK 10 100 - 10 - 2870/3.0=1, 2862/3.0=1 HD3 LYS 48 - HA ARG 89 OK 10 94 - 10 - 3067/7079=2, 2870/3.0=1 HB VAL 71 - HA ARG 89 lone 9 100 - 9 - ~8520=1, 2870/3.0=1 HB2 ARG 145 - HA ARG 89 lone 6 100 - 6 - 3.0/10387=2 HB2 LYS 114 - HA ARG 89 lone 2 62 - 4 - Peak 2853 from cnoeabs.peaks (1.72, 4.29, 59.11 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 89 + HA ARG 89 OK 99 100 - 99 - 3.8=93, 1.8/2875=29...(29) HG3 ARG 140 + HA ARG 89 OK 50 62 - 80 - 1.8/4733=12, 2863/3.0=9...(38) HB3 ARG 109 - HA ARG 89 OK 23 100 - 23 - 11118/3.0=6, 2863/3.0=4...(8) HB3 GLU 81 - HA ARG 89 OK 15 100 - 14 - 4.6/10068=2, 2871/3.0=2...(7) HG LEU 66 - HA ARG 89 OK 13 100 - 13 - 9022/2858=2...(7) HB2 GLU 81 - HA ARG 89 poor 8 68 - 12 - 4.6/10068=2...(4) HB3 ARG 144 - HA ARG 89 lone 7 98 - 7 - 9022/2858=2, 10096/8947=1 HD2 LYS 36 - HA ARG 89 lone 5 94 - 6 - Peak 2854 from cnoeabs.peaks (3.25, 4.29, 59.11 ppm; 4.34 A): 2 out of 4 assignments used, quality = 0.99: * HD2 ARG 89 + HA ARG 89 OK 98 100 - 98 - 5.5=50, 1.8/2899=30...(30) HD3 ARG 89 + HA ARG 89 OK 66 68 - 98 - 5.5=50, 1.8/2891=29...(25) HD2 PRO 52 - HA ARG 89 OK 43 92 - 47 - 2872/3.0=7, 2864/3.0=7...(22) HB2 TYR 112 - HA ARG 89 lone 8 98 - 7 - 2872/3.0=2, 2864/3.0=1...(4) Peak 2855 from cnoeabs.peaks (3.23, 4.29, 59.11 ppm; 4.34 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 89 + HA ARG 89 OK 98 100 - 98 - 5.5=50, 1.8/2891=29...(29) HD2 ARG 140 + HA ARG 89 OK 74 81 - 91 - 2865/3.0=12, 2873/3.0=12...(42) HD2 ARG 89 + HA ARG 89 OK 66 68 - 98 - 5.5=50, 1.8/2899=30...(26) Peak 2856 from cnoeabs.peaks (7.75, 4.29, 59.11 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 90 + HA ARG 89 OK 100 100 - 100 - 3.5=100 Peak 2857 from cnoeabs.peaks (8.67, 4.29, 59.11 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.91: * H THR 92 + HA ARG 89 OK 90 100 - 90 - 7064=40, 4.0/2858=28...(12) H VAL 53 + HA ARG 89 OK 11 72 - 15 - 7044/3.5=4, 3.9/2850=3...(6) H ASN 130 - HA ARG 89 lone 5 92 - 6 - 7044/3.5=2, 3000/2858=1 H ILE 56 - HA ARG 89 lone 4 68 - 6 - 4.0/8948=1, 3000/2858=1 Peak 2858 from cnoeabs.peaks (4.24, 4.29, 59.11 ppm; 2.71 A): 1 out of 4 assignments used, quality = 0.57: * HB THR 92 + HA ARG 89 OK 57 100 - 57 - 2999=25, 2.1/8947=14...(9) HA ARG 141 - HA ARG 89 lone 7 96 - 7 - HB THR 102 - HA ARG 89 lone 3 81 - 4 - 2.1/8949=1, 7085/7079=1 HA GLU 142 - HA ARG 89 lone 2 98 - 2 - Peak 2859 from cnoeabs.peaks (4.29, 1.93, 28.79 ppm; 3.27 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 3.0=100 HA PRO 118 - HB2 ARG 89 OK 28 72 - 38 - 2867/1.8=6, 2875/2.8=5...(18) HA SER 100 - HB2 ARG 89 OK 15 89 - 17 - 2867/1.8=4, 2875/2.8=2...(6) HA THR 18 - HB2 ARG 89 OK 13 99 - 13 - 2867/1.8=3, 2883/2.8=2...(5) HA3 GLY 78 - HB2 ARG 89 lone 3 68 - 4 - Peak 2860 from cnoeabs.peaks (1.93, 1.93, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 89 + HB2 ARG 89 OK 100 100 - 100 Peak 2861 from cnoeabs.peaks (1.90, 1.93, 28.79 ppm; 2.50 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 1.8=100 HB3 ARG 140 + HB2 ARG 89 OK 68 92 - 75 - 4725=9, 2885/2.8=6...(52) HB3 LYS 93 - HB2 ARG 89 OK 19 89 - 22 - 2851/3.0=2, 7033/4.4=2...(8) HB ILE 136 - HB2 ARG 89 OK 19 77 - 24 - 2.1/4613=2, 2868/1.8=2...(10) HB3 LEU 69 - HB2 ARG 89 OK 11 98 - 11 - HB ILE 101 - HB2 ARG 89 lone 9 100 - 9 - HB3 GLN 111 - HB2 ARG 89 lone 9 100 - 9 - HG13 ILE 83 - HB2 ARG 89 poor 8 68 - 12 - ~8948=2, 3.2/2519=1, 2.1/2543=1 HB3 ARG 141 - HB2 ARG 89 lone 7 77 - 9 - 4.0/7834=2 HB2 LYS 24 - HB2 ARG 89 lone 6 100 - 6 - QE MET 68 - HB2 ARG 89 lone 4 94 - 4 - Peak 2862 from cnoeabs.peaks (1.67, 1.93, 28.79 ppm; 3.26 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 2.8=100 HG2 ARG 140 + HB2 ARG 89 OK 73 81 - 90 - 1.8/4743=11, 2.9/2861=9...(67) HG13 ILE 136 - HB2 ARG 89 OK 29 77 - 38 - 2.3/4613=3, 2870/1.8=3...(20) HD2 LYS 93 - HB2 ARG 89 OK 28 77 - 37 - 2870/1.8=3, ~2870=2...(15) HD3 LYS 93 - HB2 ARG 89 OK 21 62 - 34 - 2870/1.8=3, 3.4/2861=2...(14) HG2 ARG 124 - HB2 ARG 89 OK 18 100 - 18 - 2870/1.8=2, 3.0/2865=2...(5) HB2 MET 68 - HB2 ARG 89 OK 13 99 - 13 - 1965/1.8=2 HD2 LYS 48 - HB2 ARG 89 OK 12 100 - 11 - 2870/1.8=1 HB2 LEU 95 - HB2 ARG 89 OK 11 100 - 11 - 7034/4.4=2, 2852/3.0=1 HB VAL 71 - HB2 ARG 89 OK 11 100 - 11 - ~8520=1, 2870/1.8=1 HD3 LYS 48 - HB2 ARG 89 OK 10 94 - 11 - 2870/1.8=1 HB2 ARG 145 - HB2 ARG 89 lone 7 100 - 7 - ~10387=1 HB2 LYS 114 - HB2 ARG 89 lone 2 62 - 3 - Peak 2863 from cnoeabs.peaks (1.72, 1.93, 28.79 ppm; 2.91 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 2.8=100 HG3 ARG 140 + HB2 ARG 89 OK 51 62 - 82 - 1.8/4734=9, 2871/1.8=8...(55) HB3 ARG 109 - HB2 ARG 89 OK 22 100 - 23 - 11118/1.8=5, 2879/2.8=3...(9) HB3 GLU 81 - HB2 ARG 89 lone 10 100 - 10 - 2871/1.8=2, 2853/3.0=1 HG LEU 66 - HB2 ARG 89 lone 9 100 - 9 - 2871/1.8=2, 2853/3.0=1 HB2 GLU 81 - HB2 ARG 89 lone 6 68 - 9 - 2871/1.8=1 HB3 ARG 144 - HB2 ARG 89 lone 5 98 - 5 - HD2 LYS 36 - HB2 ARG 89 lone 4 94 - 4 - Peak 2864 from cnoeabs.peaks (3.25, 1.93, 28.79 ppm; 3.42 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 3.5=91, 2880/2.8=21...(41) HD3 ARG 89 + HB2 ARG 89 OK 67 68 - 100 - 3.5=91, 1.8/2892=16...(39) HD2 PRO 52 - HB2 ARG 89 OK 37 92 - 40 - 2872/1.8=7, 2888/2.8=5...(19) HB2 TYR 112 - HB2 ARG 89 lone 6 98 - 6 - 2872/1.8=1, 2888/2.8=1 Peak 2865 from cnoeabs.peaks (3.23, 1.93, 28.79 ppm; 3.42 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 3.5=91, 2881/2.8=21...(42) HD2 ARG 140 + HB2 ARG 89 OK 74 81 - 91 - 2873/1.8=11, 2881/2.8=10...(74) HD2 ARG 89 + HB2 ARG 89 OK 67 68 - 100 - 3.5=91, 1.8/2900=18...(39) Peak 2866 from cnoeabs.peaks (7.75, 1.93, 28.79 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.86: * H GLU 90 + HB2 ARG 89 OK 86 100 - 86 - 4.4=61, 2874/1.8=35...(9) Peak 2867 from cnoeabs.peaks (4.29, 1.90, 28.79 ppm; 3.29 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 3.0=100 HA PRO 118 - HB3 ARG 89 OK 26 72 - 35 - 2859/1.8=6, 2875/2.8=5...(13) HA SER 100 - HB3 ARG 89 OK 16 89 - 18 - 2859/1.8=3, 2875/2.8=2...(7) HA THR 18 - HB3 ARG 89 OK 13 99 - 13 - 2859/1.8=3, 2883/2.8=2...(6) HA3 GLY 78 - HB3 ARG 89 lone 3 68 - 4 - Peak 2868 from cnoeabs.peaks (1.93, 1.90, 28.79 ppm; 2.50 A): 2 out of 11 assignments used, quality = 1.00: * HB2 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 1.8=100 HB2 ARG 140 + HB3 ARG 89 OK 71 96 - 74 - 4716=8, 2884/2.8=6...(51) HG2 PRO 52 - HB3 ARG 89 OK 28 98 - 29 - 2.3/2872=3, 1.8/3620=2...(8) HB3 PRO 52 - HB3 ARG 89 OK 27 99 - 27 - 3.0/2872=3, 2.3/3620=2...(8) HB2 PRO 118 - HB3 ARG 89 OK 18 77 - 24 - 2.3/2867=3, 4716=2...(7) HB2 GLN 62 - HB3 ARG 89 lone 8 94 - 8 - 1.8/1766=1, 2861/1.8=1 HB3 LEU 132 - HB3 ARG 89 lone 6 89 - 7 - HG2 PRO 12 - HB3 ARG 89 lone 6 94 - 6 - HG3 PRO 12 - HB3 ARG 89 lone 5 85 - 5 - HB3 GLU 122 - HB3 ARG 89 lone 2 92 - 2 - HB2 MET 59 - HB3 ARG 89 lone 1 68 - 1 - Peak 2869 from cnoeabs.peaks (1.90, 1.90, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 89 + HB3 ARG 89 OK 100 100 - 100 Peak 2870 from cnoeabs.peaks (1.67, 1.90, 28.79 ppm; 3.47 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 2.8=100 HG2 ARG 140 + HB3 ARG 89 OK 76 81 - 93 - 1.8/2871=10, 2.9/2868=9...(69) HD2 LYS 93 - HB3 ARG 89 OK 33 77 - 43 - 2862/1.8=3, ~2862=3...(21) HG13 ILE 136 - HB3 ARG 89 OK 31 77 - 41 - 2862/1.8=4, 2.9/2868=3...(21) HD3 LYS 93 - HB3 ARG 89 OK 24 62 - 39 - 1.8/3070=3, 2862/1.8=3...(19) HG2 ARG 124 - HB3 ARG 89 OK 20 100 - 20 - 2862/1.8=2, 3.0/2873=2...(7) HB2 MET 68 - HB3 ARG 89 OK 17 99 - 17 - 1965=2, 2862/1.8=2...(5) HB2 LEU 95 - HB3 ARG 89 OK 15 100 - 15 - 7034/4.4=2, 3.9/9060=2...(4) HD2 LYS 48 - HB3 ARG 89 OK 14 100 - 13 - 2862/1.8=1 HB VAL 71 - HB3 ARG 89 OK 14 100 - 14 - 2.1/8520=2, 2862/1.8=1 HD3 LYS 48 - HB3 ARG 89 OK 13 94 - 13 - 2862/1.8=1 HB2 ARG 145 - HB3 ARG 89 lone 9 100 - 9 - ~10387=2 HB2 LYS 114 - HB3 ARG 89 lone 2 62 - 4 - Peak 2871 from cnoeabs.peaks (1.72, 1.90, 28.79 ppm; 2.93 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 2.8=100 HG3 ARG 140 + HB3 ARG 89 OK 51 62 - 83 - 1.8/4735=8, 2863/1.8=8...(55) HB3 ARG 109 - HB3 ARG 89 OK 26 100 - 27 - 11118=5, 1.8/10728=4...(9) HB3 GLU 81 - HB3 ARG 89 OK 11 100 - 10 - 2863/1.8=2, 2853/3.0=1 HG LEU 66 - HB3 ARG 89 OK 10 100 - 10 - 2863/1.8=1, 2.1/9890=1...(4) HB2 GLU 81 - HB3 ARG 89 lone 6 68 - 9 - 2863/1.8=1 HB3 ARG 144 - HB3 ARG 89 lone 6 98 - 6 - HD2 LYS 36 - HB3 ARG 89 lone 5 94 - 5 - Peak 2872 from cnoeabs.peaks (3.25, 1.90, 28.79 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 3.5=100 HD3 ARG 89 + HB3 ARG 89 OK 68 68 - 100 - 3.5=100 HD2 PRO 52 - HB3 ARG 89 OK 43 92 - 47 - 2864/1.8=7, 2888/2.8=5...(25) HB2 TYR 112 - HB3 ARG 89 lone 7 98 - 7 - 2864/1.8=1, 2888/2.8=1 Peak 2873 from cnoeabs.peaks (3.23, 1.90, 28.79 ppm; 3.56 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 3.5=100 HD2 ARG 140 + HB3 ARG 89 OK 75 81 - 93 - 2865/1.8=12, 2881/2.8=10...(74) HD2 ARG 89 + HB3 ARG 89 OK 68 68 - 100 - 3.5=100 Peak 2874 from cnoeabs.peaks (7.75, 1.90, 28.79 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.90: * H GLU 90 + HB3 ARG 89 OK 90 100 - 90 - 4.4=69, 2866/1.8=39...(9) Peak 2875 from cnoeabs.peaks (4.29, 1.67, 27.30 ppm; 3.08 A): 3 out of 5 assignments used, quality = 0.93: * HA ARG 89 + HG2 ARG 89 OK 90 100 - 90 - 3.8=55, 2883/1.8=22...(26) HA PRO 118 + HG2 ARG 89 OK 22 72 - 31 - 2883/1.8=5, 2859/2.8=4...(8) HA SER 100 + HG2 ARG 89 OK 11 89 - 12 - 2883/1.8=3, 2867/2.8=2...(5) HA THR 18 - HG2 ARG 89 lone 10 99 - 9 - 2883/1.8=2, 2867/2.8=2...(5) HA3 GLY 78 - HG2 ARG 89 lone 2 68 - 3 - Peak 2876 from cnoeabs.peaks (1.93, 1.67, 27.30 ppm; 2.51 A): 2 out of 11 assignments used, quality = 0.99: * HB2 ARG 89 + HG2 ARG 89 OK 94 100 - 94 - 2.8=71, 1.8/2877=12...(47) HB2 ARG 140 + HG2 ARG 89 OK 73 96 - 76 - 1.8/2877=9, 2884/1.8=9...(49) HG2 PRO 52 - HG2 ARG 89 OK 28 98 - 28 - 2.3/2880=3, 2884/1.8=3...(10) HB3 PRO 52 - HG2 ARG 89 OK 26 99 - 26 - 2884/1.8=3, 3.0/2880=3...(9) HB2 PRO 118 - HG2 ARG 89 OK 18 77 - 23 - 2.3/2875=3, 2884/1.8=2...(7) HB2 GLN 62 - HG2 ARG 89 lone 7 94 - 8 - 2877=2, 2885/1.8=1 HG2 PRO 12 - HG2 ARG 89 lone 5 94 - 5 - HG3 PRO 12 - HG2 ARG 89 lone 4 85 - 5 - HB3 LEU 132 - HG2 ARG 89 lone 4 89 - 4 - HB3 GLU 122 - HG2 ARG 89 lone 1 92 - 1 - HB2 MET 59 - HG2 ARG 89 lone 1 68 - 1 - Peak 2877 from cnoeabs.peaks (1.90, 1.67, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB3 ARG 89 + HG2 ARG 89 OK 94 100 - 94 - 2.8=70, 2885/1.8=13...(49) HB3 ARG 140 + HG2 ARG 89 OK 69 92 - 76 - 2885/1.8=9, 1.8/2876=9...(48) HB ILE 136 - HG2 ARG 89 OK 22 77 - 28 - 2876=4, 2885/1.8=2...(11) HB3 LYS 93 - HG2 ARG 89 OK 18 89 - 21 - 2885/1.8=2, 2861/2.8=2...(7) HB3 LEU 69 - HG2 ARG 89 OK 11 98 - 11 - 3.2/9893=2, 2885/1.8=1 HB ILE 101 - HG2 ARG 89 lone 10 100 - 10 - ~10143=1, 2885/1.8=1 HB3 GLN 111 - HG2 ARG 89 lone 9 100 - 9 - 2885/1.8=1, 3.0/11485=1 HG13 ILE 83 - HG2 ARG 89 poor 9 68 - 13 - ~8950=2, 3.2/11042=2...(4) HB2 LYS 24 - HG2 ARG 89 lone 6 100 - 6 - QE MET 68 - HG2 ARG 89 lone 6 94 - 6 - 1993=1 HB3 ARG 141 - HG2 ARG 89 lone 5 77 - 7 - Peak 2878 from cnoeabs.peaks (1.67, 1.67, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 89 + HG2 ARG 89 OK 100 100 - 100 Peak 2879 from cnoeabs.peaks (1.72, 1.67, 27.30 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 89 + HG2 ARG 89 OK 100 100 - 100 - 1.8=100 HG3 ARG 140 - HG2 ARG 89 OK 44 62 - 70 - 2.9/2877=6, 2.9/2876=5...(49) HB3 ARG 109 - HG2 ARG 89 OK 18 100 - 18 - 11118/2.8=3, 2863/2.8=2...(7) HB3 GLU 81 - HG2 ARG 89 lone 7 100 - 7 - HG LEU 66 - HG2 ARG 89 lone 7 100 - 7 - HB2 GLU 81 - HG2 ARG 89 lone 4 68 - 6 - HB3 ARG 144 - HG2 ARG 89 lone 4 98 - 4 - HD2 LYS 36 - HG2 ARG 89 lone 3 94 - 3 - Peak 2880 from cnoeabs.peaks (3.25, 1.67, 27.30 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.96: * HD2 ARG 89 + HG2 ARG 89 OK 91 100 - 91 - 3.0=58, 2888/1.8=17...(34) HD3 ARG 89 + HG2 ARG 89 OK 60 68 - 89 - 3.0=58, 1.8/2894=13...(35) HD2 PRO 52 - HG2 ARG 89 OK 24 92 - 26 - 2888/1.8=4, 2.3/2876=3...(10) HB2 TYR 112 - HG2 ARG 89 lone 5 98 - 5 - Peak 2881 from cnoeabs.peaks (3.23, 1.67, 27.30 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.98: * HD3 ARG 89 + HG2 ARG 89 OK 91 100 - 91 - 3.0=58, 2889/1.8=17...(35) HD2 ARG 89 + HG2 ARG 89 OK 60 68 - 89 - 3.0=58, 1.8/2902=13...(34) HD2 ARG 140 + HG2 ARG 89 OK 54 81 - 67 - 2889/1.8=8, 3.4/2877=5...(38) Peak 2883 from cnoeabs.peaks (4.29, 1.72, 27.30 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.92: * HA ARG 89 + HG3 ARG 89 OK 92 100 - 92 - 3.8=60, 2875/1.8=24...(28) HA PRO 118 - HG3 ARG 89 OK 23 72 - 32 - 2875/1.8=6, 2859/2.8=4...(9) HA SER 100 - HG3 ARG 89 OK 12 89 - 13 - 2875/1.8=3, 2867/2.8=3...(5) HA THR 18 - HG3 ARG 89 OK 10 99 - 10 - 2875/1.8=3, 2867/2.8=2...(5) HA3 GLY 78 - HG3 ARG 89 lone 2 68 - 3 - Peak 2884 from cnoeabs.peaks (1.93, 1.72, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB2 ARG 89 + HG3 ARG 89 OK 94 100 - 94 - 2.8=71, 1.8/2885=13...(47) HB2 ARG 140 + HG3 ARG 89 OK 73 96 - 76 - 1.8/2885=9, 2876/1.8=9...(47) HG2 PRO 52 - HG3 ARG 89 OK 27 98 - 28 - 2.3/2888=3, 2876/1.8=3...(10) HB3 PRO 52 - HG3 ARG 89 OK 26 99 - 26 - 2876/1.8=3, 3.0/2888=3...(9) HB2 PRO 118 - HG3 ARG 89 OK 17 77 - 22 - 2.3/2883=3, 2876/1.8=2...(7) HB2 GLN 62 - HG3 ARG 89 lone 7 94 - 8 - 2885=2 HG2 PRO 12 - HG3 ARG 89 lone 5 94 - 5 - HG3 PRO 12 - HG3 ARG 89 lone 4 85 - 5 - HB3 LEU 132 - HG3 ARG 89 lone 3 89 - 4 - HB3 GLU 122 - HG3 ARG 89 lone 1 92 - 1 - HB2 MET 59 - HG3 ARG 89 lone 1 68 - 1 - Peak 2885 from cnoeabs.peaks (1.90, 1.72, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB3 ARG 89 + HG3 ARG 89 OK 94 100 - 94 - 2.8=70, 2877/1.8=12...(49) HB3 ARG 140 + HG3 ARG 89 OK 69 92 - 75 - 2877/1.8=9, 1.8/2884=9...(47) HB ILE 136 - HG3 ARG 89 OK 20 77 - 27 - 2884=4, 2877/1.8=3...(9) HB3 LYS 93 - HG3 ARG 89 OK 18 89 - 20 - 2877/1.8=2, 2861/2.8=2...(6) HB3 LEU 69 - HG3 ARG 89 OK 10 98 - 11 - 2877/1.8=1 HB ILE 101 - HG3 ARG 89 lone 9 100 - 9 - ~10143=1, 2877/1.8=1 HB3 GLN 111 - HG3 ARG 89 lone 9 100 - 9 - 2877/1.8=1 HG13 ILE 83 - HG3 ARG 89 poor 8 68 - 12 - ~8950=2, 2877/1.8=1, 2884=1 HB2 LYS 24 - HG3 ARG 89 lone 6 100 - 6 - HB3 ARG 141 - HG3 ARG 89 lone 5 77 - 6 - QE MET 68 - HG3 ARG 89 lone 4 94 - 4 - Peak 2886 from cnoeabs.peaks (1.67, 1.72, 27.30 ppm; 2.50 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HG3 ARG 89 OK 100 100 - 100 - 1.8=100 HG2 ARG 140 + HG3 ARG 89 OK 58 81 - 72 - 2.9/2885=6, 2.9/2884=5...(49) HG13 ILE 136 - HG3 ARG 89 OK 16 77 - 21 - 2.9/2884=2, 2862/2.8=1...(6) HD2 LYS 93 - HG3 ARG 89 OK 16 77 - 21 - 2862/2.8=1, 2870/2.8=1...(4) HD3 LYS 93 - HG3 ARG 89 OK 12 62 - 19 - 2870/2.8=1, 2862/2.8=1 HG2 ARG 124 - HG3 ARG 89 OK 11 100 - 11 - HB2 MET 68 - HG3 ARG 89 lone 7 99 - 7 - HD2 LYS 48 - HG3 ARG 89 lone 6 100 - 6 - HB VAL 71 - HG3 ARG 89 lone 5 100 - 5 - HD3 LYS 48 - HG3 ARG 89 lone 5 94 - 6 - HB2 LEU 95 - HG3 ARG 89 lone 5 100 - 5 - HB2 ARG 145 - HG3 ARG 89 lone 5 100 - 5 - HB2 LYS 114 - HG3 ARG 89 lone 1 62 - 1 - Peak 2887 from cnoeabs.peaks (1.72, 1.72, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 89 + HG3 ARG 89 OK 100 100 - 100 Peak 2888 from cnoeabs.peaks (3.25, 1.72, 27.30 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.97: * HD2 ARG 89 + HG3 ARG 89 OK 91 100 - 91 - 3.0=58, 2880/1.8=18...(34) HD3 ARG 89 + HG3 ARG 89 OK 61 68 - 90 - 3.0=58, 1.8/2895=16...(34) HD2 PRO 52 - HG3 ARG 89 OK 24 92 - 26 - 2880/1.8=4, 2.3/2884=3...(10) HB2 TYR 112 - HG3 ARG 89 lone 5 98 - 5 - Peak 2889 from cnoeabs.peaks (3.23, 1.72, 27.30 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.98: * HD3 ARG 89 + HG3 ARG 89 OK 91 100 - 91 - 3.0=58, 2881/1.8=18...(34) HD2 ARG 89 + HG3 ARG 89 OK 61 68 - 90 - 3.0=58, 1.8/2903=17...(34) HD2 ARG 140 + HG3 ARG 89 OK 53 81 - 66 - 2881/1.8=8, 3.4/2885=5...(38) Peak 2891 from cnoeabs.peaks (4.29, 3.25, 43.40 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.95: * HA ARG 89 + HD2 ARG 89 OK 95 100 - 95 - 5.5=34, 2875/3.0=23...(28) HA PRO 118 - HD2 ARG 89 OK 24 72 - 33 - 2875/3.0=6, 2883/3.0=6...(11) HA SER 100 - HD2 ARG 89 OK 11 89 - 13 - 2867/3.5=3, 2875/3.0=3...(5) HA THR 18 - HD2 ARG 89 OK 10 99 - 10 - 2883/3.0=3, 2875/3.0=3...(4) HA3 GLY 78 - HD2 ARG 89 lone 3 68 - 4 - Peak 2892 from cnoeabs.peaks (1.93, 3.25, 43.40 ppm; 3.02 A): 2 out of 11 assignments used, quality = 0.99: * HB2 ARG 89 + HD2 ARG 89 OK 97 100 - 97 - 3.5=62, 2.8/2880=17...(40) HB2 ARG 140 + HD2 ARG 89 OK 75 96 - 78 - 1.8/2893=10, 2884/3.0=8...(44) HG2 PRO 52 - HD2 ARG 89 OK 24 98 - 24 - 2.3/1338=4, 1370=4...(9) HB3 PRO 52 - HD2 ARG 89 OK 24 99 - 24 - 2.3/1370=4, 3.0/1338=3...(7) HB2 PRO 118 - HD2 ARG 89 OK 16 77 - 20 - 2.3/2891=3, ~2899=2...(11) HB2 GLN 62 - HD2 ARG 89 lone 7 94 - 7 - 2893=1 HG2 PRO 12 - HD2 ARG 89 lone 4 94 - 4 - HG3 PRO 12 - HD2 ARG 89 lone 4 85 - 4 - HB3 LEU 132 - HD2 ARG 89 lone 3 89 - 3 - HB2 MET 59 - HD2 ARG 89 lone 1 68 - 2 - HB3 GLU 122 - HD2 ARG 89 lone 1 92 - 1 - Peak 2893 from cnoeabs.peaks (1.90, 3.25, 43.40 ppm; 3.02 A): 2 out of 11 assignments used, quality = 0.99: * HB3 ARG 89 + HD2 ARG 89 OK 98 100 - 98 - 3.5=62, 2.8/2880=17...(42) HB3 ARG 140 + HD2 ARG 89 OK 71 92 - 78 - 1.8/2892=10, 2885/3.0=8...(44) HB ILE 136 - HD2 ARG 89 OK 22 77 - 29 - 2892=4, ~10334=3...(10) HB3 LYS 93 - HD2 ARG 89 OK 15 89 - 17 - 2885/3.0=2, 2877/3.0=2...(5) HG13 ILE 83 - HD2 ARG 89 OK 13 68 - 19 - 3.2/8950=11, 2892=2 HB ILE 101 - HD2 ARG 89 OK 10 100 - 10 - ~10143=3, 2.1/10143=1...(4) HB3 LEU 69 - HD2 ARG 89 lone 10 98 - 10 - 2877/3.0=1, ~9929=1...(6) HB3 GLN 111 - HD2 ARG 89 lone 8 100 - 8 - 2885/3.0=1, 2877/3.0=1 HB2 LYS 24 - HD2 ARG 89 lone 4 100 - 4 - QE MET 68 - HD2 ARG 89 lone 4 94 - 4 - HB3 ARG 141 - HD2 ARG 89 lone 4 77 - 5 - Peak 2894 from cnoeabs.peaks (1.67, 3.25, 43.40 ppm; 2.70 A): 2 out of 13 assignments used, quality = 0.98: * HG2 ARG 89 + HD2 ARG 89 OK 96 100 - 96 - 3.0=73, 2881/1.8=20...(34) HG2 ARG 140 + HD2 ARG 89 OK 50 81 - 62 - 1.8/2895=7, 2.9/2893=6...(32) HG13 ILE 136 - HD2 ARG 89 OK 14 77 - 18 - ~10334=2, 2.9/2892=2...(6) HD2 LYS 93 - HD2 ARG 89 poor 10 77 - 13 - 2886/3.0=1, 2862/3.5=1...(4) HG2 ARG 124 - HD2 ARG 89 lone 10 100 - 9 - 4229/1.8=1, 2886/3.0=1 HD3 LYS 93 - HD2 ARG 89 poor 7 62 - 12 - 2886/3.0=1, 2870/3.5=1...(4) HB2 LEU 95 - HD2 ARG 89 lone 5 100 - 5 - HB2 MET 68 - HD2 ARG 89 lone 5 99 - 4 - HD2 LYS 48 - HD2 ARG 89 lone 4 100 - 3 - HB VAL 71 - HD2 ARG 89 lone 3 100 - 3 - HD3 LYS 48 - HD2 ARG 89 lone 3 94 - 3 - HB2 ARG 145 - HD2 ARG 89 lone 3 100 - 3 - HB2 LYS 114 - HD2 ARG 89 lone 1 62 - 1 - Peak 2895 from cnoeabs.peaks (1.72, 3.25, 43.40 ppm; 2.75 A): 1 out of 8 assignments used, quality = 0.97: * HG3 ARG 89 + HD2 ARG 89 OK 97 100 - 97 - 3.0=78, 1.8/2880=21...(36) HG3 ARG 140 - HD2 ARG 89 OK 39 62 - 63 - 1.8/2894=8, 2.9/2893=6...(32) HB3 ARG 109 - HD2 ARG 89 OK 14 100 - 15 - 11118/3.5=3, 2879/3.0=2...(6) HG LEU 66 - HD2 ARG 89 lone 5 100 - 5 - HB3 GLU 81 - HD2 ARG 89 lone 5 100 - 5 - HB3 ARG 144 - HD2 ARG 89 lone 4 98 - 3 - HB2 GLU 81 - HD2 ARG 89 lone 3 68 - 4 - HD2 LYS 36 - HD2 ARG 89 lone 3 94 - 3 - Peak 2896 from cnoeabs.peaks (3.25, 3.25, 43.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 89 + HD2 ARG 89 OK 100 100 - 100 Peak 2897 from cnoeabs.peaks (3.23, 3.25, 43.40 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HD2 ARG 89 + HD2 ARG 89 OK 68 68 - 100 Reference assignment not found: HD3 ARG 89 - HD2 ARG 89 Peak 2899 from cnoeabs.peaks (4.29, 3.23, 43.40 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.93: * HA ARG 89 + HD3 ARG 89 OK 93 100 - 93 - 5.5=31, 2875/3.0=22...(27) HA PRO 118 - HD3 ARG 89 OK 22 72 - 31 - 2875/3.0=5, 2883/3.0=5...(11) HA SER 100 - HD3 ARG 89 OK 12 89 - 13 - 2867/3.5=3, 2875/3.0=3...(5) HA THR 18 - HD3 ARG 89 lone 10 99 - 10 - 2883/3.0=2, 2875/3.0=2...(4) HA3 GLY 78 - HD3 ARG 89 lone 3 68 - 4 - Peak 2900 from cnoeabs.peaks (1.93, 3.23, 43.40 ppm; 2.86 A): 2 out of 11 assignments used, quality = 0.99: * HB2 ARG 89 + HD3 ARG 89 OK 96 100 - 96 - 3.5=53, 2864/1.8=15...(40) HB2 ARG 140 + HD3 ARG 89 OK 69 96 - 72 - 1.8/2901=9, 2884/3.0=7...(42) HG2 PRO 52 - HD3 ARG 89 OK 20 98 - 20 - 1370/1.8=4, 2884/3.0=3...(8) HB3 PRO 52 - HD3 ARG 89 OK 18 99 - 18 - 2884/3.0=3, 2876/3.0=2...(6) HB2 PRO 118 - HD3 ARG 89 OK 14 77 - 18 - 2.3/2899=3, ~2891=2...(10) HB2 GLN 62 - HD3 ARG 89 lone 6 94 - 6 - 2901=1 HG2 PRO 12 - HD3 ARG 89 lone 4 94 - 4 - HG3 PRO 12 - HD3 ARG 89 lone 3 85 - 3 - HB3 LEU 132 - HD3 ARG 89 lone 3 89 - 3 - HB3 GLU 122 - HD3 ARG 89 lone 1 92 - 1 - HB2 MET 59 - HD3 ARG 89 lone 1 68 - 1 - Peak 2901 from cnoeabs.peaks (1.90, 3.23, 43.40 ppm; 2.85 A): 2 out of 11 assignments used, quality = 0.99: * HB3 ARG 89 + HD3 ARG 89 OK 96 100 - 96 - 3.5=52, 2.8/2881=15...(43) HB3 ARG 140 + HD3 ARG 89 OK 66 92 - 72 - 1.8/2900=10, 2885/3.0=7...(42) HB ILE 136 - HD3 ARG 89 OK 21 77 - 27 - 2.1/10334=5, 2900=4...(10) HB3 LYS 93 - HD3 ARG 89 OK 14 89 - 16 - 2885/3.0=2, 2877/3.0=2...(4) HB ILE 101 - HD3 ARG 89 OK 11 100 - 11 - 2.1/10143=4, ~10143=2 HG13 ILE 83 - HD3 ARG 89 poor 9 68 - 13 - ~8950=6, 2900=1 HB3 LEU 69 - HD3 ARG 89 lone 8 98 - 8 - 3.2/9929=1, 2877/3.0=1...(4) HB3 GLN 111 - HD3 ARG 89 lone 6 100 - 6 - HB2 LYS 24 - HD3 ARG 89 lone 4 100 - 4 - HB3 ARG 141 - HD3 ARG 89 lone 4 77 - 5 - QE MET 68 - HD3 ARG 89 lone 4 94 - 4 - Peak 2902 from cnoeabs.peaks (1.67, 3.23, 43.40 ppm; 2.63 A): 2 out of 13 assignments used, quality = 0.97: * HG2 ARG 89 + HD3 ARG 89 OK 95 100 - 95 - 3.0=68, 2880/1.8=20...(35) HG2 ARG 140 + HD3 ARG 89 OK 47 81 - 58 - 1.8/2903=7, 2.9/2900=6...(29) HG13 ILE 136 - HD3 ARG 89 OK 14 77 - 18 - 2.3/10334=4, 2.9/2900=2...(5) HD2 LYS 93 - HD3 ARG 89 poor 9 77 - 12 - 2886/3.0=1, 2862/3.5=1 HG2 ARG 124 - HD3 ARG 89 lone 9 100 - 9 - HD3 LYS 93 - HD3 ARG 89 poor 7 62 - 12 - 2886/3.0=1, 2870/3.5=1 HB2 MET 68 - HD3 ARG 89 lone 5 99 - 5 - HB2 LEU 95 - HD3 ARG 89 lone 4 100 - 4 - HB VAL 71 - HD3 ARG 89 lone 4 100 - 3 - HD2 LYS 48 - HD3 ARG 89 lone 3 100 - 3 - HD3 LYS 48 - HD3 ARG 89 lone 3 94 - 3 - HB2 ARG 145 - HD3 ARG 89 lone 3 100 - 3 - HB2 LYS 114 - HD3 ARG 89 lone 1 62 - 1 - Peak 2903 from cnoeabs.peaks (1.72, 3.23, 43.40 ppm; 2.66 A): 1 out of 8 assignments used, quality = 0.95: * HG3 ARG 89 + HD3 ARG 89 OK 95 100 - 95 - 3.0=70, 1.8/2881=19...(36) HG3 ARG 140 - HD3 ARG 89 OK 37 62 - 59 - 1.8/2902=7, 2.9/2900=6...(29) HB3 ARG 109 - HD3 ARG 89 OK 14 100 - 14 - 11118/3.5=3, 2879/3.0=2...(6) HG LEU 66 - HD3 ARG 89 lone 5 100 - 5 - HB3 GLU 81 - HD3 ARG 89 lone 4 100 - 4 - HB3 ARG 144 - HD3 ARG 89 lone 3 98 - 3 - HB2 GLU 81 - HD3 ARG 89 lone 2 68 - 4 - HD2 LYS 36 - HD3 ARG 89 lone 2 94 - 2 - Peak 2904 from cnoeabs.peaks (3.25, 3.23, 43.40 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HD3 ARG 89 + HD3 ARG 89 OK 68 68 - 100 Reference assignment not found: HD2 ARG 89 - HD3 ARG 89 Peak 2905 from cnoeabs.peaks (3.23, 3.23, 43.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 89 + HD3 ARG 89 OK 100 100 - 100 Peak 2907 from cnoeabs.peaks (7.75, 4.08, 58.53 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 90 + HA GLU 90 OK 100 100 - 100 - 2.9=100 Peak 2908 from cnoeabs.peaks (4.08, 4.08, 58.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 90 + HA GLU 90 OK 100 100 - 100 Peak 2909 from cnoeabs.peaks (2.03, 4.08, 58.53 ppm; 3.05 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 90 + HA GLU 90 OK 100 100 - 100 - 3.0=100 HB3 LYS 34 + HA GLU 90 OK 53 98 - 55 - 2926/3.0=7, 7039/2.9=6...(22) HB2 GLU 37 - HA GLU 90 OK 17 68 - 25 - 1.8/10766=5, 10766=3...(10) HB2 PRO 33 - HA GLU 90 lone 6 72 - 8 - 4.3/6163=2 Peak 2910 from cnoeabs.peaks (2.00, 4.08, 58.53 ppm; 3.00 A): 1 out of 9 assignments used, quality = 0.99: * HB3 GLU 90 + HA GLU 90 OK 99 100 - 99 - 3.0=99 QE MET 113 - HA GLU 90 OK 30 72 - 41 - 3.3/2912=6, 10252/2.9=5...(19) HB3 GLU 37 - HA GLU 90 OK 28 98 - 29 - 10515=6, 1.8/10766=5...(12) HB2 GLU 37 - HA GLU 90 OK 24 92 - 26 - 10766=5, 1.8/10766=5...(10) HB2 GLN 111 - HA GLU 90 OK 11 92 - 12 - 1.8/2916=2, ~11690=2, 7040/2.9=1 HG3 PRO 52 - HA GLU 90 lone 9 99 - 9 - 7040/2.9=1, 2920/3.0=1 HG3 GLU 122 - HA GLU 90 lone 9 100 - 9 - 2920/3.0=1 QE MET 11 - HA GLU 90 lone 6 100 - 6 - 7051/3.6=2 HB VAL 63 - HA GLU 90 lone 3 62 - 5 - ~10074=1 Peak 2911 from cnoeabs.peaks (2.27, 4.08, 58.53 ppm; 3.19 A): 2 out of 7 assignments used, quality = 0.97: * HG2 GLU 90 + HA GLU 90 OK 94 100 - 94 - 3.8=58, 2931/2.9=25...(19) HB3 MET 113 + HA GLU 90 OK 56 100 - 57 - 2928/3.0=9, 2921/3.0=9...(23) HG3 PRO 129 - HA GLU 90 poor 9 85 - 10 - 2942/3.8=2, 2928/3.0=2...(6) HG2 GLU 131 - HA GLU 90 lone 5 100 - 5 - HG2 GLN 62 - HA GLU 90 lone 5 62 - 8 - 2.9/2916=1 HG3 GLU 81 - HA GLU 90 lone 3 68 - 5 - HG3 GLU 142 - HA GLU 90 lone 3 100 - 3 - Peak 2912 from cnoeabs.peaks (2.26, 4.08, 58.53 ppm; 3.12 A): 2 out of 4 assignments used, quality = 0.97: * HG3 GLU 90 + HA GLU 90 OK 94 100 - 94 - 3.8=55, 2938/2.9=24...(22) HG2 MET 113 + HA GLU 90 OK 58 96 - 61 - 2929/3.0=8, 2922/3.0=8...(26) HB3 MET 113 - HA GLU 90 OK 32 68 - 47 - 2928/3.0=5, 2921/3.0=5...(23) HG3 PRO 129 - HA GLU 90 OK 10 96 - 10 - 2936/3.8=2, 2929/3.0=2...(6) Peak 2913 from cnoeabs.peaks (7.53, 4.08, 58.53 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 91 + HA GLU 90 OK 100 100 - 100 - 3.6=100 H TRP 88 + HA GLU 90 OK 52 94 - 56 - 7024/2.9=21, 2923/3.0=9...(12) H LEU 95 - HA GLU 90 OK 31 92 - 34 - 4.9/8957=7, 7029/2.9=5...(10) Peak 2914 from cnoeabs.peaks (7.62, 4.08, 58.53 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.84: * H LYS 93 + HA GLU 90 OK 81 100 - 81 - 4.1/2915=24, 7080=24...(11) H VAL 82 + HA GLU 90 OK 16 85 - 18 - 7061/3.6=8, 3022/2915=3...(4) H GLU 122 - HA GLU 90 lone 5 62 - 8 - 7061/3.6=1, 10068/4.9=1 Peak 2915 from cnoeabs.peaks (1.84, 4.08, 58.53 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.52: * HB2 LYS 93 + HA GLU 90 OK 52 100 - 52 - 3021=24, 1.8/3033=18...(8) HB3 LYS 76 - HA GLU 90 poor 7 62 - 11 - 3.0/9890=4, ~10075=2...(5) HB3 LEU 126 - HA GLU 90 lone 6 100 - 6 - 3.1/8957=1, 3036/3033=1 HB3 GLU 28 - HA GLU 90 lone 1 68 - 2 - Peak 2916 from cnoeabs.peaks (1.89, 4.08, 58.53 ppm; 3.28 A): 5 out of 9 assignments used, quality = 0.83: * HB3 LYS 93 + HA GLU 90 OK 59 100 - 59 - 1.8/2915=30, 3033=24...(8) HB3 ARG 89 + HA GLU 90 OK 38 89 - 42 - 2874/2.9=17, ~2866=13...(7) HB ILE 101 + HA GLU 90 OK 13 85 - 15 - 3.2/8958=4, 2.1/8958=3, ~9180=1 HB3 ARG 140 + HA GLU 90 OK 12 100 - 12 - 4724/4.9=3, 7033/2.9=2...(4) HB3 GLN 111 + HA GLU 90 OK 11 94 - 11 - 1.8/2910=2, ~11690=2, 7033/2.9=2 HB2 LYS 24 - HA GLU 90 lone 8 89 - 9 - 3025/2915=2 HB3 LEU 69 - HA GLU 90 lone 4 68 - 7 - ~10075=2, 7033/2.9=2 HB3 ARG 141 - HA GLU 90 lone 3 100 - 3 - 3025/2915=1 HB3 LYS 48 - HA GLU 90 lone 2 57 - 4 - 3025/2915=1 Peak 2917 from cnoeabs.peaks (7.75, 2.03, 28.78 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.98: * H GLU 90 + HB2 GLU 90 OK 98 100 - 98 - 3.9=80, 2924/1.8=37...(26) Peak 2918 from cnoeabs.peaks (4.08, 2.03, 28.78 ppm; 3.35 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 90 + HB2 GLU 90 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB2 GLU 90 OK 51 100 - 51 - 485=7, 2939/3.0=7...(22) HA VAL 53 - HB2 GLU 90 OK 16 100 - 16 - 7049/4.7=3, 7038/3.9=2...(6) HA LEU 132 - HB2 GLU 90 OK 13 100 - 12 - 2939/3.0=2, 2932/3.0=2...(6) HA LEU 26 - HB2 GLU 90 OK 12 96 - 12 - 2939/3.0=2, 485=2...(5) HD3 PRO 118 - HB2 GLU 90 lone 4 77 - 5 - Peak 2919 from cnoeabs.peaks (2.03, 2.03, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 90 + HB2 GLU 90 OK 100 100 - 100 Peak 2920 from cnoeabs.peaks (2.00, 2.03, 28.78 ppm; 2.58 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 90 + HB2 GLU 90 OK 100 100 - 100 - 1.8=100 QE MET 113 - HB2 GLU 90 OK 29 72 - 40 - 3.3/2922=4, 3726/3.0=4...(20) HB3 GLU 37 - HB2 GLU 90 OK 21 98 - 21 - 10515/3.0=3, 2941/3.0=2...(9) HB2 GLU 37 - HB2 GLU 90 OK 18 92 - 19 - 10515/3.0=3, ~10515=2...(8) HG3 GLU 122 - HB2 GLU 90 OK 10 100 - 10 - 1.8/4085=2, 3.0/4078=1 HG3 PRO 52 - HB2 GLU 90 lone 7 99 - 7 - HB2 GLN 111 - HB2 GLU 90 lone 7 92 - 7 - QE MET 11 - HB2 GLU 90 lone 4 100 - 4 - HB VAL 63 - HB2 GLU 90 lone 3 62 - 4 - Peak 2921 from cnoeabs.peaks (2.27, 2.03, 28.78 ppm; 3.11 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 90 + HB2 GLU 90 OK 100 100 - 100 - 3.0=100 HB3 MET 113 + HB2 GLU 90 OK 73 100 - 74 - 3702/3.0=12, 2911/3.0=8...(39) HG3 PRO 129 - HB2 GLU 90 OK 16 85 - 18 - 2942/3.0=3, 2936/3.0=2...(10) HG2 GLU 131 - HB2 GLU 90 lone 6 100 - 5 - HG2 GLN 62 - HB2 GLU 90 lone 5 62 - 7 - HG3 GLU 142 - HB2 GLU 90 lone 3 100 - 3 - HG3 GLU 81 - HB2 GLU 90 lone 3 68 - 5 - 8899/8898=2, 8893/10076=1 Peak 2922 from cnoeabs.peaks (2.26, 2.03, 28.78 ppm; 3.07 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLU 90 + HB2 GLU 90 OK 100 100 - 100 - 3.0=100 HG2 MET 113 + HB2 GLU 90 OK 72 96 - 75 - 1.8/10072=8, 2936/3.0=8...(46) HB3 MET 113 + HB2 GLU 90 OK 46 68 - 68 - 3.0/10071=7, 3702/3.0=6...(39) HG3 PRO 129 - HB2 GLU 90 OK 17 96 - 18 - 2936/3.0=3, 2942/3.0=2...(9) Peak 2923 from cnoeabs.peaks (7.53, 2.03, 28.78 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.98: * H ILE 91 + HB2 GLU 90 OK 96 100 - 96 - 4.7=67, 7048/3.9=30...(17) H TRP 88 + HB2 GLU 90 OK 49 94 - 52 - 7024/3.9=17, 2930/1.8=11...(9) H LEU 95 - HB2 GLU 90 OK 20 92 - 22 - 2913/3.0=5, 2930/1.8=4...(6) Peak 2924 from cnoeabs.peaks (7.75, 2.00, 28.78 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.98: * H GLU 90 + HB3 GLU 90 OK 98 100 - 98 - 3.9=76, 2917/1.8=36...(24) Peak 2925 from cnoeabs.peaks (4.08, 2.00, 28.78 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 90 + HB3 GLU 90 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB3 GLU 90 OK 46 100 - 46 - 3.0/2926=9, 2939/3.0=6...(18) HA VAL 53 - HB3 GLU 90 OK 16 100 - 16 - 7049/4.7=3, 7038/3.9=2...(6) HA LEU 132 - HB3 GLU 90 OK 13 100 - 13 - 2939/3.0=2, 2932/3.0=2...(7) HA LEU 26 - HB3 GLU 90 OK 11 96 - 11 - 2939/3.0=2, 2932/3.0=1...(6) HD3 PRO 118 - HB3 GLU 90 lone 4 77 - 5 - Peak 2926 from cnoeabs.peaks (2.03, 2.00, 28.78 ppm; 2.64 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 90 + HB3 GLU 90 OK 100 100 - 100 - 1.8=100 HB3 LYS 34 - HB3 GLU 90 OK 44 98 - 45 - 2909/3.0=5, 2933/3.0=5...(18) HB2 GLU 37 - HB3 GLU 90 OK 14 68 - 20 - 2909/3.0=2, ~10515=2...(10) HB2 PRO 33 - HB3 GLU 90 lone 3 72 - 4 - Peak 2927 from cnoeabs.peaks (2.00, 2.00, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 90 + HB3 GLU 90 OK 100 100 - 100 Peak 2928 from cnoeabs.peaks (2.27, 2.00, 28.78 ppm; 2.99 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 90 + HB3 GLU 90 OK 100 100 - 100 - 3.0=100 HB3 MET 113 + HB3 GLU 90 OK 70 100 - 70 - 3702/3.0=11, 3704=7...(36) HG3 PRO 129 - HB3 GLU 90 OK 14 85 - 17 - 2942/3.0=3, 2936/3.0=1...(9) HG2 GLU 131 - HB3 GLU 90 lone 5 100 - 5 - HG2 GLN 62 - HB3 GLU 90 lone 4 62 - 6 - HG3 GLU 142 - HB3 GLU 90 lone 3 100 - 3 - HG3 GLU 81 - HB3 GLU 90 lone 1 68 - 2 - Peak 2929 from cnoeabs.peaks (2.26, 2.00, 28.78 ppm; 2.97 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 90 + HB3 GLU 90 OK 100 100 - 100 - 3.0=98, 2940/1.8=26...(22) HG2 MET 113 + HB3 GLU 90 OK 70 96 - 73 - 1.8/11642=8, 2936/3.0=8...(41) HB3 MET 113 - HB3 GLU 90 OK 43 68 - 64 - 3.0/11642=7, 3702/3.0=6...(35) HG3 PRO 129 - HB3 GLU 90 OK 17 96 - 17 - 2936/3.0=3, 2942/3.0=2...(9) Peak 2930 from cnoeabs.peaks (7.53, 2.00, 28.78 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.96: * H ILE 91 + HB3 GLU 90 OK 96 100 - 96 - 4.7=66, 3.5/2924=30...(18) H TRP 88 - HB3 GLU 90 OK 45 94 - 47 - 7024/3.9=17, 2923/1.8=11...(6) H LEU 95 - HB3 GLU 90 OK 19 92 - 20 - 2913/3.0=5, 2923/1.8=5...(5) Peak 2931 from cnoeabs.peaks (7.75, 2.27, 36.00 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.91: * H GLU 90 + HG2 GLU 90 OK 91 100 - 91 - 4.6=37, 2938/1.8=35...(21) Peak 2932 from cnoeabs.peaks (4.08, 2.27, 36.00 ppm; 3.14 A): 2 out of 6 assignments used, quality = 0.95: * HA GLU 90 + HG2 GLU 90 OK 93 100 - 93 - 3.8=56, 2.9/2931=24...(19) HA LYS 34 + HG2 GLU 90 OK 35 100 - 35 - 2939/1.8=8, 3.0/2933=7...(8) HA VAL 53 - HG2 GLU 90 lone 9 100 - 9 - 2939/1.8=2, 2925/3.0=2...(4) HA LEU 132 - HG2 GLU 90 lone 9 100 - 9 - 2939/1.8=3, 2925/3.0=2...(5) HA LEU 26 - HG2 GLU 90 lone 7 96 - 8 - 2939/1.8=2, 2918/3.0=1 HD3 PRO 118 - HG2 GLU 90 lone 2 77 - 3 - Peak 2933 from cnoeabs.peaks (2.03, 2.27, 36.00 ppm; 2.71 A): 2 out of 4 assignments used, quality = 0.96: * HB2 GLU 90 + HG2 GLU 90 OK 94 100 - 94 - 3.0=75, 2940/1.8=23...(20) HB3 LYS 34 + HG2 GLU 90 OK 38 98 - 39 - 2940/1.8=9, 2926/3.0=6...(15) HB2 GLU 37 - HG2 GLU 90 poor 9 68 - 13 - 2940/1.8=2, 2926/3.0=2...(5) HB2 PRO 33 - HG2 GLU 90 lone 3 72 - 3 - Peak 2934 from cnoeabs.peaks (2.00, 2.27, 36.00 ppm; 2.55 A): 4 out of 9 assignments used, quality = 0.94: * HB3 GLU 90 + HG2 GLU 90 OK 87 100 - 87 - 3.0=62, 2941/1.8=17...(19) QE MET 113 + HG2 GLU 90 OK 32 72 - 45 - 3725=9, 3726/1.8=7...(20) HB3 GLU 37 + HG2 GLU 90 OK 15 98 - 15 - 2941/1.8=3, 10515/3.8=2...(4) HB2 GLU 37 + HG2 GLU 90 OK 12 92 - 13 - 2941/1.8=2, 10515/3.8=2...(4) HG3 GLU 122 - HG2 GLU 90 lone 5 100 - 5 - 2941/1.8=1, 2920/3.0=1 HG3 PRO 52 - HG2 GLU 90 lone 5 99 - 5 - 2941/1.8=1 HB2 GLN 111 - HG2 GLU 90 lone 5 92 - 6 - QE MET 11 - HG2 GLU 90 lone 3 100 - 3 - HB VAL 63 - HG2 GLU 90 lone 2 62 - 2 - Peak 2935 from cnoeabs.peaks (2.27, 2.27, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 90 + HG2 GLU 90 OK 100 100 - 100 Peak 2936 from cnoeabs.peaks (2.26, 2.27, 36.00 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 90 + HG2 GLU 90 OK 100 100 - 100 - 1.8=100 HG2 MET 113 + HG2 GLU 90 OK 64 96 - 66 - 3709=7, 1.8/3717=6...(38) HB3 MET 113 - HG2 GLU 90 OK 40 68 - 59 - 3702/1.8=7, 1.8/3692=6...(33) HG3 PRO 129 - HG2 GLU 90 OK 21 96 - 22 - 1.8/4395=2, 2942/1.8=2...(14) Peak 2937 from cnoeabs.peaks (7.53, 2.27, 36.00 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.95: * H ILE 91 + HG2 GLU 90 OK 91 100 - 91 - 3.5/2931=31, 7052=28...(14) H TRP 88 + HG2 GLU 90 OK 42 94 - 45 - 7024/4.6=14, 2944/1.8=12...(8) H LEU 95 - HG2 GLU 90 OK 16 92 - 18 - 2944/1.8=4, 2913/3.8=4...(5) Peak 2938 from cnoeabs.peaks (7.75, 2.26, 36.00 ppm; 3.28 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 90 + HG3 GLU 90 OK 92 100 - 92 - 4.6=37, 2931/1.8=35...(22) Peak 2939 from cnoeabs.peaks (4.08, 2.26, 36.00 ppm; 3.14 A): 2 out of 6 assignments used, quality = 0.97: * HA GLU 90 + HG3 GLU 90 OK 94 100 - 94 - 3.8=56, 2.9/2938=24...(23) HA LYS 34 + HG3 GLU 90 OK 38 100 - 38 - 2932/1.8=8, 3.0/2940=7...(9) HA LEU 132 - HG3 GLU 90 OK 13 100 - 13 - 3.8/9576=3, 2932/1.8=2...(6) HA LEU 26 - HG3 GLU 90 OK 10 96 - 10 - 4.0/10972=2, 2932/1.8=2...(5) HA VAL 53 - HG3 GLU 90 lone 10 100 - 10 - 2932/1.8=2, 2925/3.0=2...(4) HD3 PRO 118 - HG3 GLU 90 lone 2 77 - 3 - Peak 2940 from cnoeabs.peaks (2.03, 2.26, 36.00 ppm; 2.59 A): 2 out of 4 assignments used, quality = 0.94: * HB2 GLU 90 + HG3 GLU 90 OK 91 100 - 91 - 3.0=65, 2933/1.8=19...(23) HB3 LYS 34 + HG3 GLU 90 OK 35 98 - 35 - 2933/1.8=8, 2926/3.0=5...(12) HB2 GLU 37 - HG3 GLU 90 poor 8 68 - 12 - 2933/1.8=2, 2926/3.0=2...(4) HB2 PRO 33 - HG3 GLU 90 lone 3 72 - 3 - Peak 2941 from cnoeabs.peaks (2.00, 2.26, 36.00 ppm; 2.50 A): 4 out of 9 assignments used, quality = 0.92: * HB3 GLU 90 + HG3 GLU 90 OK 84 100 - 84 - 3.0=58, 2934/1.8=16...(19) QE MET 113 + HG3 GLU 90 OK 32 72 - 45 - 3726=9, 2934/1.8=6...(19) HB3 GLU 37 + HG3 GLU 90 OK 14 98 - 14 - 2934/1.8=3, 10515/3.8=2...(4) HB2 GLU 37 + HG3 GLU 90 OK 11 92 - 13 - 2934/1.8=2, 10515/3.8=2...(4) HG3 GLU 122 - HG3 GLU 90 lone 5 100 - 5 - HG3 PRO 52 - HG3 GLU 90 lone 5 99 - 5 - HB2 GLN 111 - HG3 GLU 90 lone 5 92 - 5 - QE MET 11 - HG3 GLU 90 lone 3 100 - 3 - HB VAL 63 - HG3 GLU 90 lone 2 62 - 3 - Peak 2942 from cnoeabs.peaks (2.27, 2.26, 36.00 ppm; 2.50 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 90 + HG3 GLU 90 OK 100 100 - 100 - 1.8=100 HB3 MET 113 + HG3 GLU 90 OK 66 100 - 66 - 3702=19, 1.8/3693=8...(32) HG3 PRO 129 - HG3 GLU 90 OK 20 85 - 24 - 1.8/4395=3, 2.3/4387=2...(13) HG2 GLU 131 - HG3 GLU 90 lone 4 100 - 4 - HG2 GLN 62 - HG3 GLU 90 lone 4 62 - 6 - HG3 GLU 142 - HG3 GLU 90 lone 2 100 - 2 - HG3 GLU 81 - HG3 GLU 90 lone 2 68 - 3 - Peak 2943 from cnoeabs.peaks (2.26, 2.26, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 90 + HG3 GLU 90 OK 100 100 - 100 Peak 2944 from cnoeabs.peaks (7.53, 2.26, 36.00 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 91 + HG3 GLU 90 OK 92 100 - 92 - 3.5/2938=31, 7053=28...(17) H TRP 88 + HG3 GLU 90 OK 48 94 - 51 - 7024/4.6=14...(9) H LEU 95 - HG3 GLU 90 OK 18 92 - 19 - 2937/1.8=4, 2913/3.8=4...(5) Peak 2945 from cnoeabs.peaks (7.53, 3.70, 62.58 ppm; 3.53 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 91 + HA ILE 91 OK 100 100 - 100 - 2.9=100 H TRP 88 + HA ILE 91 OK 58 94 - 61 - 2962/3.2=9, 2970/3.8=8...(20) H LEU 95 + HA ILE 91 OK 45 92 - 50 - 4.7/9001=12, 9057/3.2=12...(14) Peak 2946 from cnoeabs.peaks (3.70, 3.70, 62.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 91 + HA ILE 91 OK 100 100 - 100 Peak 2947 from cnoeabs.peaks (2.39, 3.70, 62.58 ppm; 4.23 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.0=100 HG2 GLN 25 + HA ILE 91 OK 65 100 - 65 - 10586/3.2=10, 223/3.0=8...(27) HG3 MET 59 + HA ILE 91 OK 56 100 - 56 - 3.0/8963=6, 2964/3.2=6...(28) HG2 MET 46 + HA ILE 91 OK 55 100 - 55 - 10707/3.8=10, ~10700=9...(16) HG2 MET 59 + HA ILE 91 OK 55 99 - 55 - 3.0/8963=6, 2964/3.2=5...(28) HG3 GLU 37 - HA ILE 91 OK 44 99 - 44 - 7055/2.9=6, 2955=6...(17) HG3 GLN 25 - HA ILE 91 OK 38 68 - 56 - ~10586=6, ~223=5...(26) HG3 MET 11 - HA ILE 91 OK 16 77 - 21 - 7069/3.6=3, 8018/4.9=3...(10) Peak 2948 from cnoeabs.peaks (0.93, 3.70, 62.58 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.2=100 HB2 LEU 64 + HA ILE 91 OK 50 92 - 54 - 3.0/8969=6, ~8968=5...(25) HB2 LEU 108 + HA ILE 91 OK 47 100 - 47 - 3.2/8962=5, 3.2/8962=4...(22) QG2 VAL 63 - HA ILE 91 OK 44 100 - 44 - 8360/3.0=5, 2981/3.8=4...(19) QD2 LEU 29 - HA ILE 91 OK 10 77 - 13 - ~10844=1, 7056/2.9=1, 2957/3.0=1 Peak 2949 from cnoeabs.peaks (1.42, 3.70, 62.58 ppm; 4.27 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.8=100 HG3 LYS 93 + HA ILE 91 OK 47 81 - 57 - 5.1/7082=13, 7071/3.6=9...(15) HB3 LYS 114 - HA ILE 91 OK 43 68 - 64 - 3.0/8964=10, 2982/3.8=9...(17) HG2 LYS 24 - HA ILE 91 OK 19 68 - 28 - 2966/3.2=3, 2990/4.2=3...(13) HG2 LYS 36 - HA ILE 91 poor 9 68 - 13 - 2990/4.2=2, 2966/3.2=1...(6) Peak 2950 from cnoeabs.peaks (1.05, 3.70, 62.58 ppm; 4.02 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.8=100 HG3 LYS 114 + HA ILE 91 OK 57 98 - 58 - 2967/3.2=10, 2975/3.8=8...(16) QG2 VAL 53 + HA ILE 91 OK 53 96 - 55 - 8245/3.0=8, 2967/3.2=8...(15) HB2 LEU 116 - HA ILE 91 OK 26 77 - 34 - 2959/3.0=6, 2967/3.2=6...(9) Peak 2951 from cnoeabs.peaks (0.32, 3.70, 62.58 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.88: * QD1 ILE 91 + HA ILE 91 OK 85 100 - 85 - 4.2=44, 2968/3.2=20...(24) QD2 LEU 42 + HA ILE 91 OK 20 62 - 32 - 2968/3.2=5, 2984/3.8=4...(10) Peak 2952 from cnoeabs.peaks (8.67, 3.70, 62.58 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * H THR 92 + HA ILE 91 OK 100 100 - 100 - 3.6=100 H VAL 53 - HA ILE 91 OK 31 72 - 42 - 2969/3.2=7, 7060/2.9=6...(13) H ASN 130 - HA ILE 91 poor 9 92 - 10 - 7060/2.9=2, 2994/4.9=2...(4) H ILE 56 - HA ILE 91 lone 6 68 - 8 - 2994/4.9=2, 2969/3.2=1 Peak 2953 from cnoeabs.peaks (4.17, 2.39, 35.83 ppm; 3.84 A): 3 out of 14 assignments used, quality = 0.98: * HA TRP 88 + HB ILE 91 OK 86 100 - 86 - 2828=26, 8976/2.1=20...(21) HA LEU 64 + HB ILE 91 OK 62 100 - 63 - 3.7/8968=14, 2953=12...(21) HA PHE 38 + HG3 GLU 37 OK 62 88 - 71 - ~779=18, ~6241=16...(13) HG1 THR 74 - HB ILE 91 OK 40 100 - 40 - 8976/2.1=5, 2.8/2955=4...(17) HA PHE 38 - HB ILE 91 OK 29 100 - 29 - 2.9/786=6, 8989/3.0=4...(9) HB3 SER 44 - HB ILE 91 OK 29 85 - 34 - 3.0/9817=9, 1.8/9813=6...(12) HB2 SER 44 - HB ILE 91 OK 28 85 - 33 - 3.0/9817=9, 1.8/9813=6...(12) HA GLU 120 - HB ILE 91 OK 15 94 - 16 - 4013/3.0=4, 8991/3.2=2...(6) HA TRP 88 - HG3 GLU 37 OK 13 88 - 15 - 2828=2, 8931/10310=2...(4) HA LEU 64 - HG3 GLU 37 lone 6 88 - 7 - 1812/9024=1 HA GLU 120 - HG3 GLU 37 lone 2 79 - 3 - HB3 SER 44 - HG3 GLU 37 lone 2 69 - 3 - 10729/4.4=1 HB2 SER 44 - HG3 GLU 37 lone 2 69 - 3 - 10729/4.4=1 HG1 THR 74 - HG3 GLU 37 lone 2 88 - 2 - Peak 2954 from cnoeabs.peaks (7.53, 2.39, 35.83 ppm; 3.73 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 91 + HB ILE 91 OK 98 100 - 98 - 4.0=82, 7059/3.2=23...(28) H TRP 88 + HB ILE 91 OK 72 94 - 76 - 3.0/2828=15, 2962/2.1=13...(21) H ILE 91 - HG3 GLU 37 OK 39 88 - 45 - 9000/4.4=8, 7055=7...(15) H LEU 95 - HB ILE 91 OK 37 92 - 40 - 9057/2.1=16, 2945/3.0=7...(8) H TRP 88 - HG3 GLU 37 poor 8 79 - 11 - 10057/4.4=2...(3) H LEU 95 - HG3 GLU 37 lone 4 76 - 5 - 9058/9024=1 Peak 2955 from cnoeabs.peaks (3.70, 2.39, 35.83 ppm; 4.50 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.0=100 HA ILE 136 + HB ILE 91 OK 59 96 - 61 - 2963/2.1=10, 2987/3.2=9...(17) HA ILE 91 - HG3 GLU 37 OK 41 88 - 47 - 4.2/2960=6, 2.9/7055=6...(17) HA THR 107 - HB ILE 91 OK 36 85 - 42 - 3.2/9253=7, 2963/2.1=6...(15) HB THR 74 - HB ILE 91 OK 35 68 - 51 - 2987/3.2=7, 2963/2.1=6...(18) HA THR 107 - HG3 GLU 37 OK 12 69 - 17 - 3.2/9253=5, 3.0/781=3...(5) HA ILE 136 - HG3 GLU 37 poor 9 81 - 11 - 9692/8328=3, 4594/9181=2 HB THR 74 - HG3 GLU 37 lone 2 53 - 3 - Peak 2956 from cnoeabs.peaks (2.39, 2.39, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB ILE 91 + HB ILE 91 OK 100 100 - 100 HG3 GLU 37 + HG3 GLU 37 OK 85 85 - 100 Peak 2957 from cnoeabs.peaks (0.93, 2.39, 35.83 ppm; 3.50 A): 4 out of 10 assignments used, quality = 1.00: * QG2 ILE 91 + HB ILE 91 OK 100 100 - 100 - 2.1=100 QG2 VAL 63 + HB ILE 91 OK 65 100 - 65 - 2957=10, 2989/3.2=6...(25) HB2 LEU 64 + HB ILE 91 OK 64 92 - 70 - 3.0/8968=13, 3.0/2953=7...(28) HB2 LEU 108 + HB ILE 91 OK 58 100 - 58 - 3.2/9265=7, 2989/3.2=5...(22) QG2 ILE 91 - HG3 GLU 37 OK 37 88 - 42 - 8998/4.4=10, 3.3/2960=5...(16) QD2 LEU 29 - HB ILE 91 OK 17 77 - 22 - 2.1/10844=2, 2989/3.2=2...(7) QG2 VAL 63 - HG3 GLU 37 OK 15 88 - 17 - 8360=5, 2.1/8361=2...(4) HB2 LEU 64 - HG3 GLU 37 lone 5 76 - 7 - HB2 LEU 108 - HG3 GLU 37 lone 4 87 - 5 - QD2 LEU 29 - HG3 GLU 37 lone 3 61 - 5 - 10532=1 Peak 2958 from cnoeabs.peaks (1.42, 2.39, 35.83 ppm; 4.28 A): 2 out of 10 assignments used, quality = 1.00: * HG12 ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.0=100 HB3 LYS 114 + HB ILE 91 OK 60 68 - 89 - 2982/3.0=10, 2966/2.1=10...(41) HG3 LYS 93 - HB ILE 91 OK 42 81 - 52 - 2966/2.1=8, 7071/4.7=7...(19) HG12 ILE 91 - HG3 GLU 37 OK 41 88 - 47 - 2.1/2960=9, 10079/4.4=6...(18) HG2 LYS 36 - HG3 GLU 37 OK 29 53 - 54 - ~11486=21, ~11469=20...(8) HG2 LYS 24 - HB ILE 91 OK 28 68 - 42 - 2966/2.1=4, 2990/3.2=4...(16) HG2 LYS 36 - HB ILE 91 OK 12 68 - 17 - 2990/3.2=2, 2966/2.1=2...(5) HG3 LYS 93 - HG3 GLU 37 lone 5 65 - 7 - 10089/9024=2, 6220/4.4=1 HG2 LYS 24 - HG3 GLU 37 lone 3 53 - 5 - 6220/4.4=1 HB3 LYS 114 - HG3 GLU 37 lone 2 53 - 5 - Peak 2959 from cnoeabs.peaks (1.05, 2.39, 35.83 ppm; 4.12 A): 4 out of 8 assignments used, quality = 1.00: * HG13 ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 114 + HB ILE 91 OK 85 98 - 87 - 2967/2.1=13, 2991/3.2=11...(41) QG2 VAL 53 + HB ILE 91 OK 69 96 - 72 - 8245=12, 2967/2.1=10...(22) HB2 LEU 116 + HB ILE 91 OK 49 77 - 64 - 2959=11, 2967/2.1=8...(21) HG13 ILE 91 - HG3 GLU 37 OK 35 88 - 40 - 2.1/2960=8, 1.8/2958=5...(15) QG2 VAL 53 - HG3 GLU 37 lone 5 81 - 7 - HG3 LYS 114 - HG3 GLU 37 lone 5 83 - 5 - 2991/2960=1 HB2 LEU 116 - HG3 GLU 37 lone 2 61 - 3 - Peak 2960 from cnoeabs.peaks (0.32, 2.39, 35.83 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.2=100 QD1 ILE 91 + HG3 GLU 37 OK 45 88 - 51 - 8993/4.4=12, 2988=5...(17) QD2 LEU 42 - HB ILE 91 OK 43 62 - 70 - 2.1/8147=13, 2968/2.1=10...(20) QD2 LEU 42 - HG3 GLU 37 lone 2 49 - 5 - 9029/9024=1 Peak 2961 from cnoeabs.peaks (8.67, 2.39, 35.83 ppm; 3.93 A): 1 out of 8 assignments used, quality = 0.96: * H THR 92 + HB ILE 91 OK 96 100 - 96 - 4.7=60, 2969/2.1=28...(22) H THR 92 - HG3 GLU 37 OK 32 88 - 37 - 3.9/9024=8, 7069=7...(11) H VAL 53 - HB ILE 91 OK 29 72 - 41 - 2969/2.1=7, 4.1/8245=7...(10) H ASN 130 - HB ILE 91 lone 7 92 - 7 - 2969/2.1=2, 2952/3.0=2 H ILE 56 - HB ILE 91 lone 3 68 - 5 - 2969/2.1=1, 2952/3.0=1 H VAL 53 - HG3 GLU 37 lone 2 57 - 3 - H ASN 130 - HG3 GLU 37 lone 1 76 - 2 - H ILE 56 - HG3 GLU 37 lone 1 53 - 2 - Peak 2962 from cnoeabs.peaks (7.53, 0.93, 18.02 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.98: * H ILE 91 + QG2 ILE 91 OK 95 100 - 95 - 4.0=63, 7059/3.3=19...(31) H TRP 88 + QG2 ILE 91 OK 66 94 - 70 - 3.0/8976=13, 2986/3.3=9...(22) H LEU 95 - QG2 ILE 91 OK 35 92 - 38 - 4.7/10082=8, 9057=7...(11) Peak 2963 from cnoeabs.peaks (3.70, 0.93, 18.02 ppm; 3.02 A): 1 out of 4 assignments used, quality = 0.95: * HA ILE 91 + QG2 ILE 91 OK 95 100 - 95 - 3.2=84, 2951/3.3=17...(26) HA ILE 136 - QG2 ILE 91 OK 33 96 - 35 - 2963=6, 2987/3.3=4...(14) HA THR 107 - QG2 ILE 91 OK 19 85 - 22 - 2963=5, 3.6/7272=2...(8) HB THR 74 - QG2 ILE 91 OK 19 68 - 28 - 2963=5, 2987/3.3=3...(11) Peak 2964 from cnoeabs.peaks (2.39, 0.93, 18.02 ppm; 3.11 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + QG2 ILE 91 OK 100 100 - 100 - 2.1=100 HG2 GLN 25 + QG2 ILE 91 OK 61 100 - 61 - 10586=8, 223/2.1=7...(29) HG2 MET 46 + QG2 ILE 91 OK 52 100 - 52 - 3.3/10700=7, 2964=7...(25) HG3 MET 59 + QG2 ILE 91 OK 47 100 - 47 - 2964=6, 1.8/2964=5...(28) HG2 MET 59 + QG2 ILE 91 OK 46 99 - 47 - 2964=6, 1.8/2964=5...(28) HG3 GLN 25 - QG2 ILE 91 OK 35 68 - 52 - 1.8/10586=7, 3.5/10935=6...(26) HG3 GLU 37 - QG2 ILE 91 OK 33 99 - 34 - 4.4/8998=8, 2960/3.3=4...(13) HG3 MET 11 - QG2 ILE 91 OK 14 77 - 18 - ~10600=3, ~10599=3...(6) Peak 2965 from cnoeabs.peaks (0.93, 0.93, 18.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 91 + QG2 ILE 91 OK 100 100 - 100 Peak 2966 from cnoeabs.peaks (1.42, 0.93, 18.02 ppm; 3.50 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 91 + QG2 ILE 91 OK 100 100 - 100 - 3.2=100 HB3 LYS 114 + QG2 ILE 91 OK 50 68 - 74 - 2.9/2967=9, 3.0/8975=8...(40) HG3 LYS 93 - QG2 ILE 91 OK 38 81 - 47 - 5.1/10081=6, 2.9/11577=5...(16) HG2 LYS 24 - QG2 ILE 91 OK 21 68 - 31 - 3.0/11577=4, 2990/3.3=3...(16) HG2 LYS 36 - QG2 ILE 91 poor 9 68 - 13 - 2990/3.3=1, 693/8998=1 Peak 2967 from cnoeabs.peaks (1.05, 0.93, 18.02 ppm; 2.94 A): 3 out of 4 assignments used, quality = 0.98: * HG13 ILE 91 + QG2 ILE 91 OK 93 100 - 93 - 3.2=77, 2.1/2968=25...(18) HG3 LYS 114 + QG2 ILE 91 OK 61 98 - 62 - 2967=7, 2991/3.3=6...(38) QG2 VAL 53 + QG2 ILE 91 OK 46 96 - 48 - 1399=7, 8245/2.1=6...(21) HB2 LEU 116 - QG2 ILE 91 OK 28 77 - 37 - 2967=7, 2991/3.3=4...(19) Peak 2968 from cnoeabs.peaks (0.32, 0.93, 18.02 ppm; 2.82 A): 2 out of 2 assignments used, quality = 0.91: * QD1 ILE 91 + QG2 ILE 91 OK 88 100 - 88 - 3.3=65, 2951/3.2=15...(26) QD2 LEU 42 + QG2 ILE 91 OK 23 62 - 38 - 2984/3.2=4, 2976/3.2=4...(18) Peak 2969 from cnoeabs.peaks (8.67, 0.93, 18.02 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.94: * H THR 92 + QG2 ILE 91 OK 94 100 - 94 - 4.3=59, 7060/4.0=19...(24) H VAL 53 - QG2 ILE 91 OK 24 72 - 33 - 2961/2.1=5, 4.1/2967=5...(9) H ASN 130 - QG2 ILE 91 lone 6 92 - 7 - 2952/3.2=1, 2961/2.1=1 H ILE 56 - QG2 ILE 91 lone 5 68 - 7 - 4.5/10618=2 Peak 2970 from cnoeabs.peaks (7.53, 1.42, 27.10 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 91 + HG12 ILE 91 OK 97 100 - 97 - 4.4=60, 7059/2.1=30...(27) H TRP 88 + HG12 ILE 91 OK 78 94 - 83 - 3.0/10067=15...(26) H LEU 95 - HG12 ILE 91 OK 35 92 - 38 - 9057/3.2=13, 2986/2.1=6...(9) Peak 2971 from cnoeabs.peaks (3.70, 1.42, 27.10 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 3.8=100 HA ILE 136 + HG12 ILE 91 OK 47 96 - 49 - 2987/2.1=10, 2979/1.8=9...(13) HB THR 74 - HG12 ILE 91 OK 33 68 - 49 - ~8615=8, 2987/2.1=8...(12) HA THR 107 - HG12 ILE 91 OK 24 85 - 28 - 2963/3.2=5, 2979/1.8=5...(7) Peak 2972 from cnoeabs.peaks (2.39, 1.42, 27.10 ppm; 4.19 A): 6 out of 8 assignments used, quality = 1.00: * HB ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 3.0=100 HG2 MET 46 + HG12 ILE 91 OK 75 100 - 75 - 10707/1.8=14, ~10700=8...(25) HG2 GLN 25 + HG12 ILE 91 OK 70 100 - 70 - 10586/3.2=10, 223/3.0=8...(31) HG3 MET 59 + HG12 ILE 91 OK 56 100 - 56 - 2988/2.1=6, 2980/1.8=6...(28) HG2 MET 59 + HG12 ILE 91 OK 55 99 - 56 - 2988/2.1=6, 2980/1.8=5...(28) HG3 GLU 37 + HG12 ILE 91 OK 45 99 - 46 - 2960/2.1=9, 2958=6...(17) HG3 GLN 25 - HG12 ILE 91 OK 39 68 - 58 - ~10586=6, ~223=5...(26) HG3 MET 11 - HG12 ILE 91 OK 29 77 - 38 - 3.3/10599=13, ~10600=13...(9) Peak 2973 from cnoeabs.peaks (0.93, 1.42, 27.10 ppm; 3.60 A): 4 out of 5 assignments used, quality = 1.00: * QG2 ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 3.2=100 HB2 LEU 64 + HG12 ILE 91 OK 57 92 - 62 - 2989/2.1=8, 2981/1.8=8...(29) QG2 VAL 63 + HG12 ILE 91 OK 53 100 - 53 - 2989/2.1=9, 2981/1.8=8...(20) HB2 LEU 108 + HG12 ILE 91 OK 52 100 - 52 - 2989/2.1=8, 2981/1.8=7...(22) QD2 LEU 29 - HG12 ILE 91 OK 13 77 - 16 - 2989/2.1=2, 2981/1.8=2...(5) Peak 2974 from cnoeabs.peaks (1.42, 1.42, 27.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 91 + HG12 ILE 91 OK 100 100 - 100 Peak 2975 from cnoeabs.peaks (1.05, 1.42, 27.10 ppm; 3.19 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 1.8=100 HG3 LYS 114 + HG12 ILE 91 OK 69 98 - 71 - 2991/2.1=9, ~3770=8...(32) QG2 VAL 53 + HG12 ILE 91 OK 47 96 - 49 - 2991/2.1=6, 8245/3.0=6...(16) HB2 LEU 116 - HG12 ILE 91 OK 35 77 - 45 - 2991/2.1=6, ~3872=4...(19) Peak 2976 from cnoeabs.peaks (0.32, 1.42, 27.10 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - HG12 ILE 91 OK 36 62 - 58 - 2984/1.8=10, 2968/3.2=7...(18) Peak 2978 from cnoeabs.peaks (7.53, 1.05, 27.10 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 91 + HG13 ILE 91 OK 97 100 - 97 - 4.4=61, 7059/2.1=31...(24) H TRP 88 + HG13 ILE 91 OK 71 94 - 76 - 3.0/8929=15, 2970/1.8=14...(19) H LEU 95 - HG13 ILE 91 OK 32 92 - 35 - 9057/3.2=13, 2986/2.1=6...(7) Peak 2979 from cnoeabs.peaks (3.70, 1.05, 27.10 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 3.8=100 HA ILE 136 - HG13 ILE 91 OK 41 96 - 43 - 2987/2.1=10, 2963/3.2=8...(10) HB THR 74 - HG13 ILE 91 OK 32 68 - 47 - 2987/2.1=8, ~8615=7...(13) HA THR 107 - HG13 ILE 91 OK 22 85 - 25 - 2963/3.2=5, 2987/2.1=5...(8) Peak 2980 from cnoeabs.peaks (2.39, 1.05, 27.10 ppm; 3.91 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 3.0=100 HG2 MET 46 + HG13 ILE 91 OK 73 100 - 73 - 10707=13, 3.3/10699=11...(26) HG2 GLN 25 + HG13 ILE 91 OK 67 100 - 67 - 10586/3.2=8, 223/3.0=8...(32) HG3 MET 59 + HG13 ILE 91 OK 56 100 - 56 - 2980=6, 2988/2.1=6...(29) HG2 MET 59 + HG13 ILE 91 OK 55 99 - 56 - 2980=5, 2988/2.1=5...(29) HG3 GLU 37 - HG13 ILE 91 OK 37 99 - 37 - 2960/2.1=8, 2959=4...(13) HG3 GLN 25 - HG13 ILE 91 OK 36 68 - 54 - ~10586=5, ~223=4...(27) HG3 MET 11 - HG13 ILE 91 OK 28 77 - 36 - 3.3/10600=17, ~10599=8...(8) Peak 2981 from cnoeabs.peaks (0.93, 1.05, 27.10 ppm; 3.37 A): 4 out of 5 assignments used, quality = 1.00: * QG2 ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 3.2=100 QG2 VAL 63 + HG13 ILE 91 OK 54 100 - 54 - 2981=8, 2989/2.1=8...(20) HB2 LEU 64 + HG13 ILE 91 OK 52 92 - 56 - 2989/2.1=7, 2973/1.8=7...(26) HB2 LEU 108 + HG13 ILE 91 OK 50 100 - 50 - 2989/2.1=7, 2973/1.8=6...(23) QD2 LEU 29 - HG13 ILE 91 OK 13 77 - 17 - 2989/2.1=2, 2973/1.8=1...(4) Peak 2982 from cnoeabs.peaks (1.42, 1.05, 27.10 ppm; 3.14 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 1.8=100 HB3 LYS 114 + HG13 ILE 91 OK 52 68 - 77 - 1.8/3747=10, 2.9/3770=9...(38) HG3 LYS 93 - HG13 ILE 91 OK 27 81 - 33 - 2990/2.1=4, 2966/3.2=4...(12) HG2 LYS 24 - HG13 ILE 91 OK 18 68 - 27 - 2990/2.1=3, ~10899=3...(13) HG2 LYS 36 - HG13 ILE 91 poor 9 68 - 13 - 4.6/8997=4, 2990/2.1=2 Peak 2983 from cnoeabs.peaks (1.05, 1.05, 27.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 91 + HG13 ILE 91 OK 100 100 - 100 Peak 2984 from cnoeabs.peaks (0.32, 1.05, 27.10 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - HG13 ILE 91 OK 34 62 - 54 - 2976/1.8=9, 2968/3.2=6...(19) Peak 2986 from cnoeabs.peaks (7.53, 0.32, 10.52 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.98: * H ILE 91 + QD1 ILE 91 OK 93 100 - 93 - 4.5=41, 2.9/2951=23...(32) H TRP 88 + QD1 ILE 91 OK 68 94 - 72 - 3.0/8930=11, 2970/2.1=11...(30) H LEU 95 - QD1 ILE 91 OK 32 92 - 35 - 9057/3.3=10, 2970/2.1=5...(10) Peak 2987 from cnoeabs.peaks (3.70, 0.32, 10.52 ppm; 3.00 A): 4 out of 4 assignments used, quality = 0.90: * HA ILE 91 + QD1 ILE 91 OK 80 100 - 80 - 4.2=37, 3.2/2968=18...(23) HA ILE 136 + QD1 ILE 91 OK 30 96 - 31 - 2987=6, 2963/3.3=4...(11) HB THR 74 + QD1 ILE 91 OK 21 68 - 31 - 2987=7, 4.0/11678=6...(13) HA THR 107 + QD1 ILE 91 OK 14 85 - 16 - 2987=4, 2963/3.3=2...(7) Peak 2988 from cnoeabs.peaks (2.39, 0.32, 10.52 ppm; 3.84 A): 6 out of 8 assignments used, quality = 1.00: * HB ILE 91 + QD1 ILE 91 OK 100 100 - 100 - 3.2=100 HG2 MET 46 + QD1 ILE 91 OK 68 100 - 68 - 10707/2.1=11...(24) HG2 GLN 25 + QD1 ILE 91 OK 66 100 - 66 - 10586/3.3=8, 223/3.2=7...(32) HG3 MET 59 + QD1 ILE 91 OK 56 100 - 56 - 2988=7, 1.8/2988=6...(30) HG2 MET 59 + QD1 ILE 91 OK 56 99 - 56 - 2988=7, 1.8/2988=6...(30) HG3 GLU 37 + QD1 ILE 91 OK 49 99 - 49 - 4.4/8993=11, 2960=10...(15) HG3 GLN 25 - QD1 ILE 91 OK 36 68 - 54 - 3.9/11619=6, ~10586=5...(28) HG3 MET 11 - QD1 ILE 91 OK 24 77 - 31 - ~10600=9, ~10599=7...(8) Peak 2989 from cnoeabs.peaks (0.93, 0.32, 10.52 ppm; 2.79 A): 3 out of 5 assignments used, quality = 0.96: * QG2 ILE 91 + QD1 ILE 91 OK 87 100 - 87 - 3.3=63, 3.2/2951=14...(26) QG2 VAL 63 + QD1 ILE 91 OK 44 100 - 44 - 2989=8, 2981/2.1=5...(19) HB2 LEU 64 + QD1 ILE 91 OK 40 92 - 43 - 3.0/8979=9, 2981/2.1=4...(20) HB2 LEU 108 - QD1 ILE 91 OK 39 100 - 39 - 3.2/8977=5, 2981/2.1=4...(16) QD2 LEU 29 - QD1 ILE 91 OK 11 77 - 14 - 3.2/8980=1, 8074/8979=1...(4) Peak 2990 from cnoeabs.peaks (1.42, 0.32, 10.52 ppm; 3.14 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 91 + QD1 ILE 91 OK 100 100 - 100 - 2.1=100 HB3 LYS 114 + QD1 ILE 91 OK 47 68 - 70 - 2982/2.1=8, 2.9/2991=7...(36) HG3 LYS 93 - QD1 ILE 91 OK 25 81 - 31 - 1.8/8661=4, 2982/2.1=4...(10) HG2 LYS 24 - QD1 ILE 91 OK 20 68 - 30 - 3.0/8981=4, 2982/2.1=3...(14) HG2 LYS 36 - QD1 ILE 91 OK 10 68 - 15 - 3.8/8990=3, 4.6/8993=2...(4) Peak 2991 from cnoeabs.peaks (1.05, 0.32, 10.52 ppm; 3.05 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + QD1 ILE 91 OK 100 100 - 100 - 2.1=100 HG3 LYS 114 + QD1 ILE 91 OK 71 98 - 72 - 2975/2.1=8, 2991=7...(37) QG2 VAL 53 - QD1 ILE 91 OK 44 96 - 45 - 2975/2.1=5, 2.1/2989=5...(20) HB2 LEU 116 - QD1 ILE 91 OK 36 77 - 47 - 2991=8, 3.2/10230=6...(19) Peak 2992 from cnoeabs.peaks (0.32, 0.32, 10.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 91 + QD1 ILE 91 OK 100 100 - 100 Peak 2994 from cnoeabs.peaks (8.67, 3.65, 66.86 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * H THR 92 + HA THR 92 OK 100 100 - 100 - 2.9=100 H VAL 53 - HA THR 92 OK 12 72 - 17 - 2952/4.9=4, 7083/3.6=3...(7) H ASN 130 - HA THR 92 OK 11 92 - 12 - 3000/3.0=2, 3005/3.2=2...(6) H ILE 56 - HA THR 92 poor 10 68 - 14 - ~11578=4, 3005/3.2=3...(5) Peak 2995 from cnoeabs.peaks (3.65, 3.65, 66.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 92 + HA THR 92 OK 100 100 - 100 Peak 2996 from cnoeabs.peaks (4.24, 3.65, 66.86 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 92 + HA THR 92 OK 100 100 - 100 - 3.0=100 HA ARG 141 - HA THR 92 OK 31 96 - 32 - 7085/3.6=4, 3007/3.2=4...(13) HB THR 102 - HA THR 92 OK 30 81 - 37 - 2.1/10102=7, 7085/3.6=6...(13) HA GLU 142 - HA THR 92 OK 21 98 - 21 - 3007/3.2=3, 7075/2.9=2...(10) Peak 2997 from cnoeabs.peaks (1.15, 3.65, 66.86 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 92 + HA THR 92 OK 100 100 - 100 - 3.2=100 HB2 LEU 72 - HA THR 92 OK 40 77 - 52 - 3.1/10230=13, 3.2/9018=7...(20) HG2 LYS 76 - HA THR 92 OK 29 85 - 34 - 7086/3.6=5, 10090/4.8=5...(16) QD1 LEU 69 - HA THR 92 OK 19 77 - 24 - 7076/2.9=4, 9928/4.9=4...(6) QG2 THR 18 - HA THR 92 lone 4 62 - 7 - 10856/4.9=2 Peak 2998 from cnoeabs.peaks (7.62, 3.65, 66.86 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 93 + HA THR 92 OK 100 100 - 100 - 3.6=100 H VAL 82 - HA THR 92 OK 40 85 - 47 - 3009/3.2=10, 7077/2.9=9...(8) H GLU 122 - HA THR 92 lone 6 62 - 9 - 7077/2.9=1, 3009/3.2=1...(4) Peak 2999 from cnoeabs.peaks (4.29, 4.24, 67.71 ppm; 3.24 A): 1 out of 5 assignments used, quality = 0.76: * HA ARG 89 + HB THR 92 OK 76 100 - 76 - 2858=41, 8947/2.1=21...(10) HA THR 18 - HB THR 92 lone 6 99 - 6 - 7064/4.0=1, ~11281=1 HA SER 100 - HB THR 92 lone 4 89 - 5 - HA PRO 118 - HB THR 92 lone 2 72 - 3 - HA3 GLY 78 - HB THR 92 lone 1 68 - 1 - Peak 3000 from cnoeabs.peaks (8.67, 4.24, 67.71 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.98: * H THR 92 + HB THR 92 OK 98 100 - 98 - 4.0=88, 3005/2.1=34...(16) H ILE 56 - HB THR 92 OK 10 68 - 15 - ~11578=5, 3005/2.1=4...(5) H ASN 130 - HB THR 92 poor 10 92 - 10 - 3005/2.1=3, 2994/3.0=2...(4) H VAL 53 - HB THR 92 poor 8 72 - 11 - 3005/2.1=3, 2994/3.0=2...(4) Peak 3001 from cnoeabs.peaks (3.65, 4.24, 67.71 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 92 + HB THR 92 OK 100 100 - 100 - 3.0=100 HA2 GLY 94 - HB THR 92 OK 32 62 - 51 - ~10087=12, ~10095=9...(13) HA ILE 83 - HB THR 92 OK 31 68 - 46 - 3006/2.1=9, 3.2/9019=9...(16) HD3 PRO 12 - HB THR 92 OK 23 96 - 23 - 3006/2.1=6, ~58=3, ~82=3...(10) Peak 3002 from cnoeabs.peaks (4.24, 4.24, 67.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 92 + HB THR 92 OK 100 100 - 100 Peak 3003 from cnoeabs.peaks (1.15, 4.24, 67.71 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 92 + HB THR 92 OK 100 100 - 100 - 2.1=100 HB2 LEU 72 - HB THR 92 OK 31 77 - 41 - ~10229=6, 3.1/9020=5...(18) HG2 LYS 76 - HB THR 92 OK 22 85 - 26 - 2997/3.0=4, 7086/4.7=3...(15) QD1 LEU 69 - HB THR 92 OK 11 77 - 15 - 7076/4.0=2, 2997/3.0=2...(4) QG2 THR 18 - HB THR 92 lone 2 62 - 4 - 3.2/2999=1 Peak 3004 from cnoeabs.peaks (7.62, 4.24, 67.71 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.93: * H LYS 93 + HB THR 92 OK 91 100 - 91 - 4.7=51, 3009/2.1=27...(18) H VAL 82 + HB THR 92 OK 25 85 - 29 - 3009/2.1=9, 2998/3.0=6...(8) H GLU 122 - HB THR 92 lone 3 62 - 5 - 3009/2.1=1 Peak 3005 from cnoeabs.peaks (8.67, 1.15, 22.16 ppm; 3.06 A): 1 out of 4 assignments used, quality = 0.88: * H THR 92 + QG2 THR 92 OK 88 100 - 88 - 3.9=47, 7075/2.1=20...(20) H ILE 56 - QG2 THR 92 poor 10 68 - 14 - 3.0/11578=6, 4.0/10083=2...(5) H ASN 130 - QG2 THR 92 lone 7 92 - 7 - 3000/2.1=2, 2994/3.2=1 H VAL 53 - QG2 THR 92 lone 7 72 - 9 - 2994/3.2=1, 7083/4.4=1...(4) Peak 3006 from cnoeabs.peaks (3.65, 1.15, 22.16 ppm; 2.95 A): 2 out of 4 assignments used, quality = 0.93: * HA THR 92 + QG2 THR 92 OK 91 100 - 91 - 3.2=77, 2.9/3005=18...(16) HA ILE 83 + QG2 THR 92 OK 22 68 - 33 - 3.2/9027=8, 3001/2.1=5...(15) HA2 GLY 94 - QG2 THR 92 OK 22 62 - 36 - 3.0/10087=10, 3.5/9058=5...(12) HD3 PRO 12 - QG2 THR 92 OK 21 96 - 21 - 3.6/11578=7, 3001/2.1=2...(8) Peak 3007 from cnoeabs.peaks (4.24, 1.15, 22.16 ppm; 2.70 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 92 + QG2 THR 92 OK 100 100 - 100 - 2.1=100 HB THR 102 - QG2 THR 92 OK 16 81 - 20 - 2.1/10099=3...(9) HA ARG 141 - QG2 THR 92 OK 14 96 - 14 - 2996/3.2=2, 7085/4.4=1...(5) HA GLU 142 - QG2 THR 92 OK 12 98 - 13 - 3.0/10097=2, 2996/3.2=2 Peak 3008 from cnoeabs.peaks (1.15, 1.15, 22.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 92 + QG2 THR 92 OK 100 100 - 100 Peak 3009 from cnoeabs.peaks (7.62, 1.15, 22.16 ppm; 3.52 A): 2 out of 3 assignments used, quality = 0.94: * H LYS 93 + QG2 THR 92 OK 92 100 - 92 - 4.4=53, 7085/2.1=26...(22) H VAL 82 + QG2 THR 92 OK 30 85 - 35 - 3004/2.1=6, 3.6/10085=5...(10) H GLU 122 - QG2 THR 92 lone 4 62 - 6 - Peak 3010 from cnoeabs.peaks (7.62, 4.22, 58.90 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 93 + HA LYS 93 OK 100 100 - 100 - 2.9=100 H VAL 82 - HA LYS 93 OK 22 85 - 26 - 3022/3.0=5, 3034/3.0=5...(8) H GLU 122 - HA LYS 93 lone 4 62 - 7 - Peak 3011 from cnoeabs.peaks (4.22, 4.22, 58.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 93 + HA LYS 93 OK 100 100 - 100 Peak 3012 from cnoeabs.peaks (1.84, 4.22, 58.90 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 93 + HA LYS 93 OK 100 100 - 100 - 3.0=99, 7088/2.9=18...(40) HB3 LEU 126 - HA LYS 93 OK 23 100 - 23 - 3036/3.0=4, ~4277=3...(10) HB3 LYS 76 - HA LYS 93 OK 23 62 - 37 - 3.0/10090=5, 3036/3.0=4...(19) HB3 GLU 28 - HA LYS 93 OK 10 68 - 15 - 3036/3.0=2, 3058/4.0=2...(8) Peak 3013 from cnoeabs.peaks (1.89, 4.22, 58.90 ppm; 2.93 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 93 + HA LYS 93 OK 100 100 - 100 - 3.0=98, 1.8/3012=21...(39) HB2 LYS 24 - HA LYS 93 OK 32 89 - 36 - 3.0/3015=5, 3025/3.0=4...(21) HB3 ARG 89 - HA LYS 93 OK 24 89 - 28 - ~7079=5, ~10068=4...(7) HB3 ARG 141 - HA LYS 93 OK 22 100 - 23 - 3025/3.0=2, 7089/2.9=2...(8) HB ILE 101 - HA LYS 93 OK 22 85 - 26 - 3329=3, 2.1/3337=2...(8) HB3 LYS 48 - HA LYS 93 OK 18 57 - 31 - 1.8/1148=4, 3.6/3016=3...(14) HB3 ARG 140 - HA LYS 93 OK 16 100 - 16 - 3025/3.0=2, 7089/2.9=1...(4) HB3 LEU 69 - HA LYS 93 lone 7 68 - 10 - 3.2/9933=2, ~9038=1 HB3 GLN 111 - HA LYS 93 lone 5 94 - 5 - Peak 3014 from cnoeabs.peaks (1.53, 4.22, 58.90 ppm; 3.40 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HA LYS 93 OK 96 100 - 96 - 4.0=63, 1.8/3015=23...(38) HG3 LYS 85 + HA LYS 93 OK 62 94 - 66 - 2616=11, 1.8/2605=9...(32) HG3 LYS 76 + HA LYS 93 OK 55 100 - 55 - 1.8/10090=9, 3047/3.0=7...(23) HD2 LYS 76 + HA LYS 93 OK 51 99 - 52 - 3.0/10090=7, 3038/3.0=6...(23) QB ALA 135 - HA LYS 93 OK 14 99 - 14 - 7090/2.9=2, 2.9/7732=1...(8) HG3 PRO 57 - HA LYS 93 OK 13 89 - 15 - 3038/3.0=2, 3026/3.0=2...(5) HB2 LEU 29 - HA LYS 93 lone 8 100 - 8 - 7102/3.6=1, 3026/3.0=1 HB2 LYS 123 - HA LYS 93 lone 4 81 - 5 - Peak 3015 from cnoeabs.peaks (1.41, 4.22, 58.90 ppm; 3.42 A): 2 out of 7 assignments used, quality = 0.99: * HG3 LYS 93 + HA LYS 93 OK 96 100 - 96 - 4.0=65, 2.9/3012=20...(38) HG2 LYS 24 + HA LYS 93 OK 61 100 - 61 - 10906/4.0=13, 3027/3.0=8...(22) HG12 ILE 91 - HA LYS 93 OK 25 81 - 31 - 4.4/10105=7, 7091/2.9=5...(9) HD2 LYS 114 - HA LYS 93 OK 20 94 - 21 - 3039/3.0=4, 3027/3.0=4...(8) HG2 LYS 36 - HA LYS 93 OK 18 100 - 18 - 3039/3.0=3, 3027/3.0=3...(8) HG LEU 116 - HA LYS 93 OK 16 77 - 21 - 3027/3.0=4, 3039/3.0=3...(9) HB2 ARG 35 - HA LYS 93 lone 6 85 - 7 - 3039/3.0=2, 3027/3.0=2 Peak 3016 from cnoeabs.peaks (1.68, 4.22, 58.90 ppm; 3.68 A): 3 out of 11 assignments used, quality = 1.00: * HD2 LYS 93 + HA LYS 93 OK 97 100 - 97 - 4.9=43, 3069/3.0=32...(48) HD3 LYS 48 + HA LYS 93 OK 78 98 - 80 - 3069/3.0=11, 3068=9...(49) HD2 LYS 48 + HA LYS 93 OK 59 77 - 77 - 1.8/3068=7, ~3069=6...(49) HB2 LEU 95 - HA LYS 93 OK 39 77 - 50 - 4.6/10090=18, 1.8/3016=9...(14) HG3 ARG 141 - HA LYS 93 OK 31 98 - 32 - 4807/3.0=4, 2.8/3013=3...(15) HG LEU 97 - HA LYS 93 OK 27 96 - 28 - 2.1/9122=5, 9016/4.8=5...(10) HG2 ARG 89 - HA LYS 93 OK 20 77 - 26 - 2.8/3013=4, 7092/2.9=2...(13) HG LEU 26 - HA LYS 93 poor 9 81 - 11 - 5.3/3020=1, 7092/2.9=1...(4) HB VAL 71 - HA LYS 93 lone 4 77 - 5 - HB2 ARG 145 - HA LYS 93 lone 3 89 - 3 - HG2 ARG 124 - HA LYS 93 lone 2 62 - 3 - Peak 3017 from cnoeabs.peaks (1.65, 4.22, 58.90 ppm; 3.76 A): 2 out of 12 assignments used, quality = 0.99: * HD3 LYS 93 + HA LYS 93 OK 97 100 - 97 - 4.9=46, 3.0/3015=20...(46) HD2 LYS 48 + HA LYS 93 OK 48 62 - 77 - 1.8/3068=7, ~3069=6...(48) HG13 ILE 136 - HA LYS 93 OK 35 100 - 36 - 3078/2.9=6, 3080/3.0=5...(11) HB2 LEU 95 - HA LYS 93 OK 30 62 - 49 - 4.6/10090=19...(13) HB2 LYS 114 - HA LYS 93 OK 28 100 - 28 - 3748/4.0=6, 3029/3.0=4...(9) HG2 ARG 140 - HA LYS 93 OK 22 99 - 22 - 3041/3.0=3, 2.9/3013=2...(9) HB2 PRO 57 - HA LYS 93 OK 18 100 - 18 - 1517/4.0=3, 3041/3.0=2...(7) HG2 ARG 89 - HA LYS 93 OK 15 62 - 24 - 2.8/3013=4, 7093/2.9=2...(11) HB3 LEU 26 - HA LYS 93 OK 14 62 - 23 - ~3033=3, ~3021=3...(10) HB2 MET 68 - HA LYS 93 lone 5 81 - 6 - HG2 ARG 124 - HA LYS 93 lone 3 77 - 4 - HB VAL 71 - HA LYS 93 lone 3 62 - 4 - Peak 3018 from cnoeabs.peaks (2.95, 4.22, 58.90 ppm; 4.47 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 93 + HA LYS 93 OK 98 100 - 98 - 5.9=43, 3.8/3015=22...(43) HE2 LYS 48 + HA LYS 93 OK 87 100 - 87 - 3.0/3016=8, 3091/3.0=8...(48) HE3 LYS 48 + HA LYS 93 OK 84 100 - 85 - 3.0/3016=8, 3.6/10469=8...(45) HE3 LYS 93 + HA LYS 93 OK 83 85 - 98 - 5.9=43, 3.8/3015=22...(46) HE2 LYS 85 + HA LYS 93 OK 82 100 - 82 - 3.5/2605=10, 3.5/2616=9...(36) HE3 LYS 85 + HA LYS 93 OK 78 96 - 81 - 3.5/2605=10, 3.5/2616=9...(37) HE3 LYS 61 - HA LYS 93 poor 7 62 - 11 - 10892/3015=2 HE2 LYS 61 - HA LYS 93 poor 6 62 - 10 - 10892/3015=2 HB2 PHE 106 - HA LYS 93 lone 5 100 - 5 - HB2 TYR 115 - HA LYS 93 lone 4 100 - 4 - HB3 PHE 67 - HA LYS 93 lone 3 100 - 3 - HB3 ASN 130 - HA LYS 93 lone 1 68 - 2 - Peak 3019 from cnoeabs.peaks (2.94, 4.22, 58.90 ppm; 4.47 A): 6 out of 13 assignments used, quality = 1.00: * HE3 LYS 93 + HA LYS 93 OK 98 100 - 98 - 5.9=43, 3.8/3015=22...(46) HE2 LYS 93 + HA LYS 93 OK 83 85 - 98 - 5.9=43, 3.8/3015=22...(43) HE3 LYS 85 + HA LYS 93 OK 82 99 - 83 - 3102/3.0=10, 3.5/2605=10...(37) HE3 LYS 48 + HA LYS 93 OK 80 94 - 85 - 3102/3.0=8, 3.0/3016=8...(45) HE2 LYS 85 + HA LYS 93 OK 73 89 - 82 - 3.5/2605=10, 3.5/2616=9...(36) HE2 LYS 48 + HA LYS 93 OK 70 81 - 86 - 3.0/3016=8, 3.6/10469=8...(48) HE2 LYS 61 - HA LYS 93 OK 12 98 - 12 - 10892/3015=2, 3043/3.0=1 HE3 LYS 61 - HA LYS 93 OK 12 98 - 12 - 10892/3015=2, 3043/3.0=1 HB2 PHE 106 - HA LYS 93 lone 3 77 - 4 - HB2 TYR 115 - HA LYS 93 lone 2 81 - 3 - HB3 ASN 130 - HA LYS 93 lone 2 99 - 2 - HB3 PHE 67 - HA LYS 93 lone 2 77 - 2 - HB2 HIS 14 - HA LYS 93 lone 1 62 - 1 - Peak 3020 from cnoeabs.peaks (7.81, 4.22, 58.90 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 94 + HA LYS 93 OK 100 100 - 100 - 3.6=100 H TYR 27 - HA LYS 93 OK 26 92 - 29 - 3032/3.0=6, 3044/3.0=6...(8) H SER 44 - HA LYS 93 OK 19 99 - 19 - 3032/3.0=3, 3044/3.0=3...(8) H LEU 26 - HA LYS 93 OK 16 62 - 26 - 3032/3.0=3, 3044/3.0=3...(12) H THR 110 - HA LYS 93 poor 10 81 - 12 - 3044/3.0=2, 3032/3.0=2...(5) Peak 3021 from cnoeabs.peaks (4.08, 1.84, 32.09 ppm; 3.30 A): 4 out of 6 assignments used, quality = 0.80: * HA GLU 90 + HB2 LYS 93 OK 61 100 - 61 - 2915=39, 3033/1.8=17...(8) HA LEU 26 + HB2 LYS 93 OK 30 96 - 31 - 3033/1.8=9, 3.6/3032=4...(8) HA VAL 53 + HB2 LYS 93 OK 18 100 - 18 - 3033/1.8=6, 3.0/10092=4...(4) HA LEU 132 + HB2 LYS 93 OK 11 100 - 10 - 3033/1.8=3, 4477/2.9=2 HA LYS 34 - HB2 LYS 93 lone 7 100 - 7 - 3033/1.8=2 HD3 PRO 118 - HB2 LYS 93 lone 2 77 - 2 - Peak 3022 from cnoeabs.peaks (7.62, 1.84, 32.09 ppm; 2.99 A): 2 out of 3 assignments used, quality = 0.93: * H LYS 93 + HB2 LYS 93 OK 91 100 - 91 - 4.1=40, 3034/1.8=26...(40) H VAL 82 + HB2 LYS 93 OK 23 85 - 27 - 3034/1.8=6, 3010/3.0=4...(10) H GLU 122 - HB2 LYS 93 lone 4 62 - 7 - 3034/1.8=1 Peak 3023 from cnoeabs.peaks (4.22, 1.84, 32.09 ppm; 2.91 A): 1 out of 7 assignments used, quality = 0.99: * HA LYS 93 + HB2 LYS 93 OK 99 100 - 99 - 3.0=96, 2.9/7088=18...(38) HA LYS 85 - HB2 LYS 93 OK 45 96 - 46 - 3035/1.8=7, 2.9/3028=5...(23) HA THR 102 - HB2 LYS 93 OK 24 100 - 24 - 3035/1.8=4, 3370/3.0=4...(8) HA ILE 101 - HB2 LYS 93 OK 20 98 - 20 - 3035/1.8=3, 3.0/3025=2...(7) HB THR 102 - HB2 LYS 93 OK 12 62 - 19 - 3035/1.8=2, 3374/3.0=2...(10) HA ALA 134 - HB2 LYS 93 lone 9 92 - 9 - 3035/1.8=1, ~9637=1 HA PHE 45 - HB2 LYS 93 lone 8 100 - 8 - 3035/1.8=1 Peak 3024 from cnoeabs.peaks (1.84, 1.84, 32.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 93 + HB2 LYS 93 OK 100 100 - 100 Peak 3025 from cnoeabs.peaks (1.89, 1.84, 32.09 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 1.8=100 HB2 LYS 24 - HB2 LYS 93 OK 38 89 - 43 - 3.0/3027=4, 10881/1.8=3...(22) HB3 LYS 48 - HB2 LYS 93 OK 23 57 - 40 - 3.6/3069=4, 3.6/3080=4...(11) HB3 ARG 141 - HB2 LYS 93 OK 21 100 - 21 - 3013/3.0=2, 3059/2.9=1...(5) HB3 ARG 89 - HB2 LYS 93 OK 19 89 - 22 - 3013/3.0=2, 7089/4.1=1...(10) HB3 ARG 140 - HB2 LYS 93 OK 17 100 - 17 - 3059/2.9=1, 2.9/3029=1...(4) HB ILE 101 - HB2 LYS 93 OK 16 85 - 19 - 3013/3.0=2, 3.0/3023=1 HB3 GLN 111 - HB2 LYS 93 lone 5 94 - 5 - HB3 LEU 69 - HB2 LYS 93 lone 5 68 - 7 - Peak 3026 from cnoeabs.peaks (1.53, 1.84, 32.09 ppm; 3.04 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 2.9=100 HG3 LYS 85 + HB2 LYS 93 OK 71 94 - 75 - 3038/1.8=7, 3.0/3028=5...(40) HG3 LYS 76 + HB2 LYS 93 OK 64 100 - 64 - 3047=12, 3038/1.8=6...(29) HD2 LYS 76 + HB2 LYS 93 OK 60 99 - 61 - 3.0/3047=6, 3038/1.8=6...(32) HG3 PRO 57 - HB2 LYS 93 OK 20 89 - 23 - 2.3/3029=2, 3038/1.8=2...(9) QB ALA 135 - HB2 LYS 93 OK 12 99 - 12 - 4586/2915=2, 3038/1.8=1 HB2 LEU 29 - HB2 LYS 93 OK 11 100 - 11 - 3038/1.8=1 HB2 LYS 123 - HB2 LYS 93 lone 4 81 - 5 - Peak 3027 from cnoeabs.peaks (1.41, 1.84, 32.09 ppm; 2.94 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 2.9=100 HG2 LYS 24 + HB2 LYS 93 OK 70 100 - 71 - 10906/2.9=15, 3058=10...(27) HD2 LYS 114 - HB2 LYS 93 OK 34 94 - 36 - 3039/1.8=4, 3789/3.4=3...(16) HG2 LYS 36 - HB2 LYS 93 OK 21 100 - 21 - 3039/1.8=3, 3072/3.4=2...(5) HG LEU 116 - HB2 LYS 93 OK 19 77 - 25 - 3039/1.8=3, ~10229=3...(9) HG12 ILE 91 - HB2 LYS 93 OK 19 81 - 23 - 7091/4.1=3, 3039/1.8=2...(10) HB2 ARG 35 - HB2 LYS 93 lone 8 85 - 9 - 3039/1.8=2 Peak 3028 from cnoeabs.peaks (1.68, 1.84, 32.09 ppm; 3.04 A): 3 out of 11 assignments used, quality = 1.00: * HD2 LYS 93 + HB2 LYS 93 OK 98 100 - 98 - 3.4=68, 1.8/3080=20...(84) HD3 LYS 48 + HB2 LYS 93 OK 84 98 - 85 - 3069=15, 1.8/3080=10...(59) HD2 LYS 48 + HB2 LYS 93 OK 64 77 - 83 - 1.8/3069=11, 3080=8...(59) HG3 ARG 141 - HB2 LYS 93 OK 31 98 - 31 - 4807/1.8=4, 2.8/3025=3...(10) HB2 LEU 95 - HB2 LYS 93 OK 30 77 - 39 - 1.8/3028=7, ~3040=4...(17) HG2 ARG 89 - HB2 LYS 93 OK 21 77 - 27 - 2.8/3025=2, 2877/1.8=2...(10) HG LEU 97 - HB2 LYS 93 OK 18 96 - 18 - ~10132=2, 3040/1.8=2...(9) HG LEU 26 - HB2 LYS 93 OK 10 81 - 13 - 4.3/3021=3, 3040/1.8=1 HB VAL 71 - HB2 LYS 93 lone 4 77 - 5 - HG2 ARG 124 - HB2 LYS 93 lone 3 62 - 4 - HB2 ARG 145 - HB2 LYS 93 lone 2 89 - 2 - Peak 3029 from cnoeabs.peaks (1.65, 1.84, 32.09 ppm; 2.94 A): 2 out of 12 assignments used, quality = 0.99: * HD3 LYS 93 + HB2 LYS 93 OK 98 100 - 98 - 3.4=62, 1.8/3069=32...(77) HD2 LYS 48 + HB2 LYS 93 OK 50 62 - 79 - 1.8/3069=11, 3080=7...(52) HG13 ILE 136 - HB2 LYS 93 OK 36 100 - 36 - 3080=7, 3041/1.8=4...(14) HB2 LYS 114 - HB2 LYS 93 OK 34 100 - 35 - 3748/2.9=5, 3041/1.8=4...(16) HB2 PRO 57 - HB2 LYS 93 OK 22 100 - 22 - 3041/1.8=2, 1517/2.9=2...(6) HB2 LEU 95 - HB2 LYS 93 OK 21 62 - 34 - 1.8/3028=6, ~3040=4...(14) HG2 ARG 140 - HB2 LYS 93 OK 21 99 - 21 - 4735/1.8=3, 2.9/3025=2...(7) HG2 ARG 89 - HB2 LYS 93 OK 15 62 - 23 - 2.8/3025=2, ~2885=2...(5) HB3 LEU 26 - HB2 LYS 93 OK 13 62 - 20 - 3.0/3021=5, ~3033=3...(6) HG2 ARG 124 - HB2 LYS 93 lone 4 77 - 5 - HB2 MET 68 - HB2 LYS 93 lone 4 81 - 4 - HB VAL 71 - HB2 LYS 93 lone 3 62 - 4 - Peak 3030 from cnoeabs.peaks (2.95, 1.84, 32.09 ppm; 4.14 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 5.1=52, 3.0/3069=36...(98) HE2 LYS 48 + HB2 LYS 93 OK 96 100 - 96 - 3.0/3069=13, 3.0/3080=11...(110) HE2 LYS 85 + HB2 LYS 93 OK 96 100 - 96 - 1.8/3102=11, 3091=9...(105) HE3 LYS 48 + HB2 LYS 93 OK 94 100 - 95 - 3.0/3069=13, 3.0/3080=11...(97) HE3 LYS 85 + HB2 LYS 93 OK 92 96 - 95 - 3102=9, 1.8/3091=8...(111) HE3 LYS 93 + HB2 LYS 93 OK 85 85 - 100 - 5.1=52, 3.0/3069=36...(108) HE3 LYS 61 - HB2 LYS 93 poor 9 62 - 15 - 10892/3027=2 HE2 LYS 61 - HB2 LYS 93 poor 9 62 - 15 - 10892/3027=2 HB2 PHE 106 - HB2 LYS 93 lone 4 100 - 4 - HB2 TYR 115 - HB2 LYS 93 lone 4 100 - 4 - HB3 ASN 130 - HB2 LYS 93 lone 3 68 - 4 - 4.0/10092=2 HB3 PHE 67 - HB2 LYS 93 lone 2 100 - 2 - Peak 3031 from cnoeabs.peaks (2.94, 1.84, 32.09 ppm; 4.14 A): 6 out of 13 assignments used, quality = 1.00: * HE3 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 5.1=52, 3.0/3069=36...(108) HE3 LYS 85 + HB2 LYS 93 OK 94 99 - 96 - 3102=12, 1.8/3091=8...(111) HE3 LYS 48 + HB2 LYS 93 OK 90 94 - 95 - 3.0/3069=13, 3.0/3080=11...(97) HE2 LYS 93 + HB2 LYS 93 OK 85 85 - 100 - 5.1=52, 3.0/3069=36...(98) HE2 LYS 85 + HB2 LYS 93 OK 85 89 - 96 - 1.8/3102=11, 3102=8...(105) HE2 LYS 48 + HB2 LYS 93 OK 78 81 - 96 - 3.0/3069=13, 3.0/3080=11...(110) HE2 LYS 61 - HB2 LYS 93 OK 17 98 - 17 - 10892/3027=2, 3043/1.8=1...(4) HE3 LYS 61 - HB2 LYS 93 OK 16 98 - 17 - 10892/3027=2, 3043/1.8=1...(4) HB3 ASN 130 - HB2 LYS 93 lone 5 99 - 5 - 4.0/10092=2 HB2 PHE 106 - HB2 LYS 93 lone 3 77 - 4 - HB2 TYR 115 - HB2 LYS 93 lone 3 81 - 3 - HB3 PHE 67 - HB2 LYS 93 lone 1 77 - 2 - HB2 HIS 14 - HB2 LYS 93 lone 1 62 - 2 - Peak 3032 from cnoeabs.peaks (7.81, 1.84, 32.09 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.94: * H GLY 94 + HB2 LYS 93 OK 91 100 - 91 - 4.7=41, 3.2/3022=22...(28) H TYR 27 + HB2 LYS 93 OK 33 92 - 36 - 3044/1.8=7, 3.6/3021=6...(12) H LEU 26 - HB2 LYS 93 OK 17 62 - 27 - 2.9/3021=7, ~3033=4...(9) H SER 44 - HB2 LYS 93 OK 16 99 - 16 - 3044/1.8=3, 3020/3.0=3...(7) H THR 110 - HB2 LYS 93 poor 8 81 - 10 - 3044/1.8=2, 3020/3.0=1...(4) Peak 3033 from cnoeabs.peaks (4.08, 1.89, 32.09 ppm; 3.12 A): 3 out of 6 assignments used, quality = 0.72: * HA GLU 90 + HB3 LYS 93 OK 52 100 - 52 - 2915/1.8=27, 2916=17...(7) HA LEU 26 + HB3 LYS 93 OK 27 96 - 28 - 3021/1.8=7, 3.6/3044=4...(8) HA VAL 53 + HB3 LYS 93 OK 18 100 - 19 - 3.0/10093=5, 3021/1.8=5...(5) HA LEU 132 - HB3 LYS 93 lone 10 100 - 9 - 3021/1.8=3, 4477/2.9=2 HA LYS 34 - HB3 LYS 93 lone 6 100 - 6 - 3021/1.8=2 HD3 PRO 118 - HB3 LYS 93 lone 2 77 - 2 - Peak 3034 from cnoeabs.peaks (7.62, 1.89, 32.09 ppm; 2.99 A): 2 out of 3 assignments used, quality = 0.93: * H LYS 93 + HB3 LYS 93 OK 91 100 - 91 - 4.1=40, 7088/1.8=27...(39) H VAL 82 + HB3 LYS 93 OK 22 85 - 26 - 3022/1.8=7, 3010/3.0=4...(8) H GLU 122 - HB3 LYS 93 lone 4 62 - 7 - 3022/1.8=1 Peak 3035 from cnoeabs.peaks (4.22, 1.89, 32.09 ppm; 2.96 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 3.0=100 HA LYS 85 + HB3 LYS 93 OK 46 96 - 47 - 3023/1.8=7, 2.9/3040=5...(25) HA THR 102 - HB3 LYS 93 OK 25 100 - 25 - 3023/1.8=4, 3370/3.0=4...(8) HA ILE 101 - HB3 LYS 93 OK 24 98 - 25 - 3023/1.8=3, 3322=2...(9) HB THR 102 - HB3 LYS 93 OK 13 62 - 21 - 3023/1.8=3, 3374/3.0=2...(10) HA PHE 45 - HB3 LYS 93 lone 9 100 - 9 - 3023/1.8=1 HA ALA 134 - HB3 LYS 93 poor 9 92 - 10 - 3023/1.8=1, ~9637=1 Peak 3036 from cnoeabs.peaks (1.84, 1.89, 32.09 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 1.8=100 HB3 LYS 76 - HB3 LYS 93 OK 25 62 - 40 - 3.0/3038=3, 3058/2.9=2...(15) HB3 LEU 126 - HB3 LYS 93 OK 21 100 - 21 - ~4277=3, 3012/3.0=2...(11) HB3 GLU 28 - HB3 LYS 93 OK 11 68 - 16 - 3058/2.9=2, 3069/3.4=2...(8) Peak 3037 from cnoeabs.peaks (1.89, 1.89, 32.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 93 + HB3 LYS 93 OK 100 100 - 100 Peak 3038 from cnoeabs.peaks (1.53, 1.89, 32.09 ppm; 3.07 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 2.9=100 HG3 LYS 85 + HB3 LYS 93 OK 71 94 - 76 - 3026/1.8=7, 3.0/3040=6...(42) HG3 LYS 76 + HB3 LYS 93 OK 64 100 - 64 - 3047/1.8=8, 3048=7...(30) HD2 LYS 76 + HB3 LYS 93 OK 61 99 - 62 - 3026/1.8=6, 3060/2.9=5...(31) HG3 PRO 57 - HB3 LYS 93 OK 21 89 - 23 - 2.3/3041=2, 3026/1.8=2...(9) QB ALA 135 - HB3 LYS 93 OK 12 99 - 12 - 3026/1.8=1, 3014/3.0=1 HB2 LEU 29 - HB3 LYS 93 OK 11 100 - 11 - 3026/1.8=1 HB2 LYS 123 - HB3 LYS 93 lone 4 81 - 4 - Peak 3039 from cnoeabs.peaks (1.41, 1.89, 32.09 ppm; 2.97 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 2.9=100 HG2 LYS 24 + HB3 LYS 93 OK 69 100 - 69 - 10906/2.9=15, 10903=11...(24) HD2 LYS 114 - HB3 LYS 93 OK 36 94 - 38 - 3027/1.8=4, 3789/3.4=3...(19) HG2 LYS 36 - HB3 LYS 93 OK 22 100 - 22 - 3027/1.8=3, 3072/3.4=2...(5) HG12 ILE 91 - HB3 LYS 93 OK 20 81 - 24 - 3.2/11577=3, 7091/4.1=3...(12) HG LEU 116 - HB3 LYS 93 OK 18 77 - 23 - 2.1/10229=5, 3027/1.8=4...(8) HB2 ARG 35 - HB3 LYS 93 lone 8 85 - 9 - 3027/1.8=2 Peak 3040 from cnoeabs.peaks (1.68, 1.89, 32.09 ppm; 3.02 A): 3 out of 11 assignments used, quality = 1.00: * HD2 LYS 93 + HB3 LYS 93 OK 98 100 - 98 - 3.4=67, 3069/1.8=33...(82) HD3 LYS 48 + HB3 LYS 93 OK 81 98 - 82 - 3069/1.8=11, 3070=8...(52) HD2 LYS 48 + HB3 LYS 93 OK 62 77 - 80 - ~3069=6, 3080/1.8=6...(51) HG3 ARG 141 - HB3 LYS 93 OK 34 98 - 35 - 4807=5, 1.8/4798=3...(13) HB2 LEU 95 - HB3 LYS 93 OK 30 77 - 39 - 1.8/3040=7, ~3028=4...(17) HG2 ARG 89 - HB3 LYS 93 OK 22 77 - 29 - 1.8/2885=3, 2877=2...(13) HG LEU 97 - HB3 LYS 93 OK 19 96 - 20 - 2.1/10132=3, 10139/4.7=2...(7) HG LEU 26 - HB3 LYS 93 OK 11 81 - 13 - 4.3/3033=3 HB VAL 71 - HB3 LYS 93 lone 5 77 - 6 - 2.1/8520=1 HG2 ARG 124 - HB3 LYS 93 lone 2 62 - 4 - HB2 ARG 145 - HB3 LYS 93 lone 2 89 - 2 - Peak 3041 from cnoeabs.peaks (1.65, 1.89, 32.09 ppm; 2.89 A): 2 out of 12 assignments used, quality = 0.99: * HD3 LYS 93 + HB3 LYS 93 OK 97 100 - 97 - 3.4=59, 3080/1.8=19...(68) HD2 LYS 48 + HB3 LYS 93 OK 47 62 - 75 - ~3069=6, 1.8/3070=5...(42) HG13 ILE 136 - HB3 LYS 93 OK 34 100 - 34 - 3080/1.8=5, 3081=3...(14) HB2 LYS 114 - HB3 LYS 93 OK 34 100 - 34 - 3748/2.9=5, 3029/1.8=4...(14) HG2 ARG 140 - HB3 LYS 93 OK 24 99 - 24 - 4735=4, 1.8/4744=2...(8) HB2 PRO 57 - HB3 LYS 93 OK 21 100 - 21 - 3029/1.8=2, 1517/2.9=2...(5) HB2 LEU 95 - HB3 LYS 93 OK 21 62 - 34 - 1.8/3040=7, ~3028=4...(15) HG2 ARG 89 - HB3 LYS 93 OK 15 62 - 25 - 1.8/2885=3, 2.8/2861=2...(7) HB3 LEU 26 - HB3 LYS 93 OK 12 62 - 20 - 3.0/3033=5, ~3021=2...(6) HB2 MET 68 - HB3 LYS 93 lone 4 81 - 5 - HB VAL 71 - HB3 LYS 93 lone 3 62 - 5 - 2.1/8520=1 HG2 ARG 124 - HB3 LYS 93 lone 3 77 - 3 - Peak 3042 from cnoeabs.peaks (2.95, 1.89, 32.09 ppm; 4.00 A): 6 out of 12 assignments used, quality = 1.00: * HE2 LYS 93 + HB3 LYS 93 OK 99 100 - 99 - 5.1=47, ~3069=21...(94) HE2 LYS 48 + HB3 LYS 93 OK 95 100 - 95 - 3.0/3040=8, 3091/1.8=8...(102) HE2 LYS 85 + HB3 LYS 93 OK 94 100 - 94 - 3091/1.8=8, ~3102=7...(100) HE3 LYS 48 + HB3 LYS 93 OK 92 100 - 93 - 3.0/3040=8, 3091/1.8=8...(89) HE3 LYS 85 + HB3 LYS 93 OK 90 96 - 94 - 3102/1.8=8, 3.5/3038=7...(105) HE3 LYS 93 + HB3 LYS 93 OK 85 85 - 99 - 5.1=47, ~3069=21...(101) HE3 LYS 61 - HB3 LYS 93 poor 10 62 - 15 - 10892/10903=2, 10891/11336=1 HE2 LYS 61 - HB3 LYS 93 poor 9 62 - 15 - 10892/10903=2, 10891/11336=1 HB2 TYR 115 - HB3 LYS 93 lone 5 100 - 5 - 9366/10229=1 HB2 PHE 106 - HB3 LYS 93 lone 4 100 - 4 - HB3 ASN 130 - HB3 LYS 93 lone 3 68 - 5 - 4.0/10093=2 HB3 PHE 67 - HB3 LYS 93 lone 2 100 - 2 - Peak 3043 from cnoeabs.peaks (2.94, 1.89, 32.09 ppm; 4.00 A): 6 out of 13 assignments used, quality = 1.00: * HE3 LYS 93 + HB3 LYS 93 OK 99 100 - 99 - 5.1=47, ~3069=21...(102) HE3 LYS 85 + HB3 LYS 93 OK 93 99 - 94 - 3102/1.8=11, 3.5/3038=7...(105) HE3 LYS 48 + HB3 LYS 93 OK 88 94 - 93 - 3102/1.8=9, 3.0/3040=8...(89) HE2 LYS 93 + HB3 LYS 93 OK 85 85 - 99 - 5.1=47, ~3069=21...(94) HE2 LYS 85 + HB3 LYS 93 OK 84 89 - 94 - ~3102=7, 3102/1.8=7...(100) HE2 LYS 48 + HB3 LYS 93 OK 77 81 - 95 - 3.0/3040=8, ~3069=7...(102) HE2 LYS 61 - HB3 LYS 93 OK 17 98 - 18 - 10892/10903=2...(3) HE3 LYS 61 - HB3 LYS 93 OK 17 98 - 17 - 10892/10903=2...(3) HB3 ASN 130 - HB3 LYS 93 lone 6 99 - 6 - 4.0/10093=2 HB2 TYR 115 - HB3 LYS 93 lone 4 81 - 4 - HB2 PHE 106 - HB3 LYS 93 lone 3 77 - 4 - HB3 PHE 67 - HB3 LYS 93 lone 1 77 - 2 - HB2 HIS 14 - HB3 LYS 93 lone 1 62 - 2 - Peak 3044 from cnoeabs.peaks (7.81, 1.89, 32.09 ppm; 3.46 A): 2 out of 5 assignments used, quality = 0.94: * H GLY 94 + HB3 LYS 93 OK 92 100 - 92 - 4.7=41, 7100/1.8=28...(29) H TYR 27 + HB3 LYS 93 OK 32 92 - 35 - 3032/1.8=7, 3.6/3033=6...(12) H LEU 26 - HB3 LYS 93 OK 17 62 - 27 - 2.9/3033=7, ~3021=4...(9) H SER 44 - HB3 LYS 93 OK 16 99 - 16 - 3032/1.8=3, 3020/3.0=3...(7) H THR 110 - HB3 LYS 93 poor 9 81 - 11 - 3032/1.8=2, 3020/3.0=1...(4) Peak 3045 from cnoeabs.peaks (7.62, 1.53, 24.58 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 93 + HG2 LYS 93 OK 95 100 - 95 - 5.1=31, 3034/2.9=25...(40) H VAL 82 + HG3 LYS 76 OK 46 68 - 67 - ~11055=13, ~9943=12...(17) H LYS 93 - HG3 LYS 76 OK 45 86 - 52 - 7090=9, 7086/1.8=8...(19) H VAL 82 - HG2 LYS 93 OK 29 85 - 34 - 3056/1.8=6, 3022/2.9=6...(8) H GLU 122 - HG3 LYS 76 poor 7 47 - 14 - ~7531=2, 3.1/7530=2...(5) H GLU 122 - HG2 LYS 93 lone 6 62 - 9 - 3056/1.8=1, 3022/2.9=1 Peak 3046 from cnoeabs.peaks (4.22, 1.53, 24.58 ppm; 3.26 A): 3 out of 14 assignments used, quality = 0.99: * HA LYS 93 + HG2 LYS 93 OK 94 100 - 94 - 4.0=56, 3015/1.8=21...(38) HA LYS 85 + HG2 LYS 93 OK 53 96 - 56 - 2574=8, 3057/1.8=7...(22) HA LYS 93 + HG3 LYS 76 OK 46 86 - 54 - 3014=8, 10090/1.8=8...(24) HA LYS 85 - HG3 LYS 76 OK 41 79 - 52 - 2574=9, 2.9/2586=5...(24) HA THR 102 - HG2 LYS 93 OK 24 100 - 24 - 3023/2.9=3, 3035/2.9=3...(7) HA ILE 101 - HG2 LYS 93 OK 21 98 - 21 - 3035/2.9=3, 3023/2.9=3...(7) HA ALA 134 - HG3 LYS 76 OK 17 74 - 23 - 9650/1.8=4, ~10321=3...(11) HA ALA 134 - HG2 LYS 93 OK 12 92 - 13 - ~9637=2, 3057/1.8=2...(7) HB THR 102 - HG2 LYS 93 OK 12 62 - 19 - 3057/1.8=2, 3035/2.9=2...(7) HA PHE 45 - HG2 LYS 93 lone 8 100 - 8 - 3035/2.9=1, 3057/1.8=1 HA ILE 101 - HG3 LYS 76 lone 4 81 - 4 - HA THR 102 - HG3 LYS 76 lone 3 84 - 4 - HA PHE 45 - HG3 LYS 76 lone 2 86 - 2 - HB THR 102 - HG3 LYS 76 lone 1 47 - 3 - Peak 3047 from cnoeabs.peaks (1.84, 1.53, 24.58 ppm; 2.97 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 93 + HG2 LYS 93 OK 100 100 - 100 - 2.9=100 HB2 LYS 93 + HG3 LYS 76 OK 52 86 - 60 - 3026=9, 1.8/3038=6...(25) HB3 LYS 76 + HG3 LYS 76 OK 47 47 - 100 - 3.0=100 HB3 LEU 126 - HG3 LYS 76 OK 43 85 - 51 - 2276/1.8=4, 4286/3.0=4...(30) HB3 LYS 76 - HG2 LYS 93 OK 31 62 - 49 - 3058/1.8=5, 3036/2.9=4...(22) HB3 LEU 126 - HG2 LYS 93 OK 29 100 - 29 - 3058/1.8=4, 3036/2.9=4...(9) HB3 GLU 28 - HG2 LYS 93 OK 17 68 - 25 - 3058/1.8=4, ~8054=3...(9) HB3 GLU 28 - HG3 LYS 76 poor 7 52 - 14 - 4.3/6122=2, 1.8/11556=1...(4) Peak 3048 from cnoeabs.peaks (1.89, 1.53, 24.58 ppm; 3.01 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 93 + HG2 LYS 93 OK 100 100 - 100 - 2.9=100 HB3 LYS 93 + HG3 LYS 76 OK 55 86 - 64 - 3038=9, 1.8/3026=6...(29) HB2 LYS 24 + HG2 LYS 93 OK 52 89 - 58 - ~10906=7, ~10887=6...(29) HB3 LYS 48 - HG2 LYS 93 OK 30 57 - 52 - 3.6/3051=4, 3059/1.8=3...(32) HB3 ARG 141 - HG2 LYS 93 OK 27 100 - 27 - 3059/1.8=3, 4791/3.0=3...(7) HB3 LEU 69 - HG3 LYS 76 OK 24 52 - 47 - ~2016=4, 3.2/2288=3...(35) HB3 ARG 89 - HG2 LYS 93 OK 24 89 - 27 - 3059/1.8=3, 3025/2.9=2...(9) HB3 ARG 140 - HG2 LYS 93 OK 21 100 - 21 - 3059/1.8=2, 3025/2.9=2...(6) HB ILE 101 - HG2 LYS 93 OK 19 85 - 22 - 3025/2.9=2, 3059/1.8=2...(5) HB3 GLN 111 - HG2 LYS 93 lone 7 94 - 7 - HB3 LYS 48 - HG3 LYS 76 poor 6 43 - 15 - HB3 LEU 69 - HG2 LYS 93 lone 6 68 - 8 - HB3 ARG 89 - HG3 LYS 76 lone 4 71 - 5 - ~8947=2, ~8947=1 HB2 LYS 24 - HG3 LYS 76 lone 2 71 - 3 - HB ILE 101 - HG3 LYS 76 lone 2 68 - 3 - HB3 ARG 141 - HG3 LYS 76 lone 2 84 - 2 - HB3 ARG 140 - HG3 LYS 76 lone 1 86 - 2 - HB3 GLN 111 - HG3 LYS 76 lone 1 77 - 1 - Peak 3049 from cnoeabs.peaks (1.53, 1.53, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 93 + HG2 LYS 93 OK 100 100 - 100 HG3 LYS 76 + HG3 LYS 76 OK 86 86 - 100 Peak 3050 from cnoeabs.peaks (1.41, 1.53, 24.58 ppm; 2.50 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 93 + HG2 LYS 93 OK 100 100 - 100 - 1.8=100 HG2 LYS 24 + HG2 LYS 93 OK 59 100 - 59 - 10906/1.8=16, 3060=6...(24) HG3 LYS 93 - HG3 LYS 76 OK 43 86 - 50 - 3060=8, 3060/3.0=3...(18) HD2 LYS 114 - HG2 LYS 93 OK 27 94 - 29 - ~3804=3, 3789/3.0=3...(13) HG12 ILE 91 - HG3 LYS 76 OK 21 64 - 34 - ~8658=6, 2.1/8980=6...(12) HG2 LYS 36 - HG2 LYS 93 OK 14 100 - 14 - 3072/3.0=1, 3039/2.9=1...(4) HG LEU 116 - HG2 LYS 93 OK 14 77 - 18 - 3027/2.9=2, 3072/3.0=2...(8) HD2 LYS 114 - HG3 LYS 76 OK 14 77 - 18 - 3795/3.9=2, 3795/3.9=2 HG12 ILE 91 - HG2 LYS 93 OK 11 81 - 14 - 2.1/8980=2, ~2982=2...(7) HB2 ARG 35 - HG2 LYS 93 lone 6 85 - 6 - HG2 LYS 24 - HG3 LYS 76 lone 5 84 - 6 - 10906/3060=1 HG LEU 116 - HG3 LYS 76 lone 2 60 - 4 - ~10296=1 HG2 LYS 36 - HG3 LYS 76 lone 1 84 - 2 - HB2 ARG 35 - HG3 LYS 76 lone 1 68 - 1 - Peak 3051 from cnoeabs.peaks (1.68, 1.53, 24.58 ppm; 2.55 A): 3 out of 22 assignments used, quality = 0.99: * HD2 LYS 93 + HG2 LYS 93 OK 93 100 - 93 - 3.0=63, 3069/2.9=17...(42) HD3 LYS 48 + HG2 LYS 93 OK 65 98 - 66 - 3071=6, 3069/2.9=6...(30) HD2 LYS 48 + HG2 LYS 93 OK 49 77 - 63 - 1.8/3071=4, 3062/1.8=4...(30) HD2 LYS 93 - HG3 LYS 76 OK 37 86 - 43 - 3071=6, 3.0/3060=3...(15) HB2 LEU 95 - HG2 LYS 93 OK 20 77 - 27 - 1.8/3051=4, ~3062=3...(10) HG3 ARG 141 - HG2 LYS 93 OK 17 98 - 18 - 4807/2.9=2, 3062/1.8=2...(4) HG2 ARG 89 - HG2 LYS 93 OK 12 77 - 16 - 2.8/3048=1, 3063/1.8=1 HG LEU 97 - HG2 LYS 93 lone 9 96 - 9 - HD3 LYS 48 - HG3 LYS 76 poor 8 81 - 10 - 3071=1 HG LEU 97 - HG3 LYS 76 lone 7 79 - 9 - ~9130=2, ~10104=1, ~11585=1 HD2 LYS 48 - HG3 LYS 76 lone 5 60 - 9 - HG LEU 26 - HG2 LYS 93 lone 5 81 - 6 - HB VAL 71 - HG2 LYS 93 lone 3 77 - 4 - HB2 LEU 95 - HG3 LYS 76 lone 3 60 - 4 - HB VAL 71 - HG3 LYS 76 lone 2 60 - 3 - ~8518=2 HG2 ARG 124 - HG2 LYS 93 lone 2 62 - 3 - HG LEU 26 - HG3 LYS 76 lone 2 64 - 3 - HG2 ARG 124 - HG3 LYS 76 lone 2 47 - 3 - HB2 ARG 145 - HG2 LYS 93 lone 2 89 - 2 - HG3 ARG 141 - HG3 LYS 76 lone 1 81 - 1 - HG2 ARG 89 - HG3 LYS 76 lone 1 60 - 1 - HB2 ARG 145 - HG3 LYS 76 lone 0 71 - 0 - Peak 3052 from cnoeabs.peaks (1.65, 1.53, 24.58 ppm; 2.58 A): 2 out of 24 assignments used, quality = 0.96: * HD3 LYS 93 + HG2 LYS 93 OK 93 100 - 93 - 3.0=65, 1.8/3051=11...(41) HD2 LYS 48 + HG2 LYS 93 OK 39 62 - 63 - 1.8/3071=5, 3063/1.8=4...(29) HD3 LYS 93 - HG3 LYS 76 OK 39 86 - 45 - 3082=5, 1.8/3071=4...(15) HB2 LYS 114 - HG2 LYS 93 OK 31 100 - 31 - 3748/1.8=4, ~3760=3...(13) HG13 ILE 136 - HG2 LYS 93 OK 29 100 - 29 - 2.1/9689=3, 1.8/10339=3...(12) HB2 PRO 57 - HG2 LYS 93 OK 19 100 - 19 - 2.3/1533=2, 3063/1.8=2...(5) HB2 LEU 95 - HG2 LYS 93 OK 16 62 - 25 - 1.8/3051=4, ~3062=3...(10) HG2 ARG 140 - HG2 LYS 93 OK 14 99 - 14 - 4735/2.9=1, 3063/1.8=1 HG13 ILE 136 - HG3 LYS 76 OK 13 84 - 15 - 2.1/9689=3, 3082=1 HG2 ARG 89 - HG2 LYS 93 poor 10 62 - 15 - 2.8/3048=1, 3063/1.8=1 HB2 LYS 114 - HG3 LYS 76 lone 8 86 - 9 - ~8664=1, 3811/3.9=1...(4) HB3 LEU 26 - HG2 LYS 93 poor 7 62 - 11 - HB2 PRO 57 - HG3 LYS 76 lone 7 86 - 8 - HD2 LYS 48 - HG3 LYS 76 lone 4 47 - 9 - HB2 MET 68 - HG2 LYS 93 lone 3 81 - 3 - HG2 ARG 124 - HG2 LYS 93 lone 2 77 - 3 - HB VAL 71 - HG2 LYS 93 lone 2 62 - 3 - HG2 ARG 124 - HG3 LYS 76 lone 2 60 - 4 - HB2 LEU 95 - HG3 LYS 76 lone 2 47 - 4 - HB VAL 71 - HG3 LYS 76 lone 2 47 - 4 - ~8518=2 HG2 ARG 140 - HG3 LYS 76 lone 2 83 - 2 - HB2 MET 68 - HG3 LYS 76 lone 2 64 - 3 - HB3 LEU 26 - HG3 LYS 76 lone 1 47 - 3 - HG2 ARG 89 - HG3 LYS 76 lone 1 47 - 1 - Peak 3053 from cnoeabs.peaks (2.95, 1.53, 24.58 ppm; 3.26 A): 6 out of 24 assignments used, quality = 1.00: * HE2 LYS 93 + HG2 LYS 93 OK 97 100 - 97 - 3.8=64, 3.0/3051=11...(67) HE2 LYS 48 + HG2 LYS 93 OK 83 100 - 83 - 3.0/3051=6, 3064/1.8=5...(66) HE3 LYS 93 + HG2 LYS 93 OK 82 85 - 96 - 3.8=64, 3.0/3051=11...(77) HE2 LYS 85 + HG2 LYS 93 OK 81 100 - 81 - 3064/1.8=5, 1.8/3104=5...(61) HE3 LYS 48 + HG2 LYS 93 OK 79 100 - 80 - 3.0/3051=6, 3064/1.8=5...(57) HE3 LYS 85 + HG2 LYS 93 OK 77 96 - 80 - 3065/1.8=5, 3.5/2609=5...(60) HE2 LYS 85 - HG3 LYS 76 OK 41 86 - 48 - 3.5/2609=4, 2.9/2631=3...(21) HE3 LYS 85 - HG3 LYS 76 OK 38 79 - 48 - 3.5/2609=4, 2.9/2631=3...(21) HE2 LYS 93 - HG3 LYS 76 OK 29 86 - 33 - 3.0/3071=5, 3.8/3060=4...(10) HE3 LYS 93 - HG3 LYS 76 OK 22 68 - 33 - 3.0/3071=5, 3.8/3060=4...(10) HE2 LYS 48 - HG3 LYS 76 OK 11 86 - 13 - HE3 LYS 48 - HG3 LYS 76 OK 11 84 - 12 - HE3 LYS 61 - HG2 LYS 93 lone 6 62 - 9 - HE2 LYS 61 - HG2 LYS 93 lone 5 62 - 9 - HB2 TYR 115 - HG2 LYS 93 lone 3 100 - 3 - HB2 PHE 106 - HG2 LYS 93 lone 3 100 - 3 - HB3 PHE 67 - HG3 LYS 76 lone 2 85 - 3 - ~9869=1 HB2 TYR 115 - HG3 LYS 76 lone 2 86 - 3 - HB3 PHE 67 - HG2 LYS 93 lone 1 100 - 1 - HB2 PHE 106 - HG3 LYS 76 lone 1 85 - 1 - HB3 ASN 130 - HG2 LYS 93 lone 1 68 - 1 - HE3 LYS 61 - HG3 LYS 76 lone 1 47 - 2 - HE2 LYS 61 - HG3 LYS 76 lone 1 47 - 2 - HB3 ASN 130 - HG3 LYS 76 lone 0 52 - 1 - Peak 3054 from cnoeabs.peaks (2.94, 1.53, 24.58 ppm; 3.26 A): 6 out of 26 assignments used, quality = 1.00: * HE3 LYS 93 + HG2 LYS 93 OK 97 100 - 97 - 3.8=64, 3.0/3051=11...(77) HE2 LYS 93 + HG2 LYS 93 OK 82 85 - 96 - 3.8=64, 3.0/3051=11...(67) HE3 LYS 85 + HG2 LYS 93 OK 80 99 - 81 - 3105/1.8=6, 3102/2.9=6...(60) HE3 LYS 48 + HG2 LYS 93 OK 75 94 - 80 - 3.0/3051=6, 3065/1.8=6...(57) HE2 LYS 85 + HG2 LYS 93 OK 71 89 - 80 - 3065/1.8=5, 1.8/3104=5...(61) HE2 LYS 48 + HG2 LYS 93 OK 67 81 - 83 - 3.0/3051=6, 3065/1.8=5...(66) HE3 LYS 85 - HG3 LYS 76 OK 40 83 - 48 - 3.5/2609=4, 2.9/2631=3...(21) HE2 LYS 85 - HG3 LYS 76 OK 33 71 - 47 - 3.5/2609=4, 2.9/2631=3...(21) HE3 LYS 93 - HG3 LYS 76 OK 29 86 - 34 - 3.0/3071=5, 3.8/3060=4...(12) HE2 LYS 93 - HG3 LYS 76 OK 22 68 - 32 - 3.0/3071=5, 3.8/3060=4...(10) HE2 LYS 61 - HG2 LYS 93 lone 10 98 - 10 - 10892/3050=1 HE3 LYS 61 - HG2 LYS 93 lone 10 98 - 10 - HE3 LYS 48 - HG3 LYS 76 poor 10 77 - 12 - HE2 LYS 48 - HG3 LYS 76 poor 8 64 - 12 - HB2 TYR 115 - HG2 LYS 93 lone 2 81 - 2 - HB2 PHE 106 - HG2 LYS 93 lone 2 77 - 2 - HE2 LYS 61 - HG3 LYS 76 lone 2 81 - 2 - HE3 LYS 61 - HG3 LYS 76 lone 2 81 - 2 - HB3 ASN 130 - HG2 LYS 93 lone 1 99 - 1 - HB3 PHE 67 - HG3 LYS 76 lone 1 60 - 2 - ~9869=1 HB2 TYR 115 - HG3 LYS 76 lone 1 64 - 2 - HB3 PHE 67 - HG2 LYS 93 lone 1 77 - 1 - HB3 ASN 130 - HG3 LYS 76 lone 1 83 - 1 - HB2 PHE 106 - HG3 LYS 76 lone 0 60 - 1 - HB2 HIS 14 - HG2 LYS 93 lone 0 62 - 1 - HB2 HIS 14 - HG3 LYS 76 lone 0 47 - 0 - Peak 3055 from cnoeabs.peaks (7.81, 1.53, 24.58 ppm; 4.46 A): 2 out of 10 assignments used, quality = 0.97: * H GLY 94 + HG2 LYS 93 OK 95 100 - 96 - 7100/2.9=31, 3044/2.9=23...(26) H GLY 94 + HG3 LYS 76 OK 43 86 - 50 - 7102=8, 3.2/3045=8...(12) H TYR 27 - HG2 LYS 93 OK 43 92 - 47 - 3032/2.9=8, 3044/2.9=8...(11) H SER 44 - HG2 LYS 93 OK 23 99 - 23 - 3032/2.9=4, 3044/2.9=4...(8) H LEU 26 - HG2 LYS 93 OK 22 62 - 35 - ~3033=5, ~3021=5...(13) H THR 110 - HG2 LYS 93 OK 15 81 - 19 - 4.0/10451=4, 3066/1.8=3...(7) H SER 44 - HG3 LYS 76 OK 10 83 - 12 - 3.9/2285=3, 3.9/2285=3 H TYR 27 - HG3 LYS 76 poor 8 74 - 11 - ~6110=2, 3.1/8055=2...(4) H THR 110 - HG3 LYS 76 poor 7 64 - 11 - 4.0/10451=6, 9282/3.9=2 H LEU 26 - HG3 LYS 76 lone 4 47 - 8 - ~9890=2 Peak 3056 from cnoeabs.peaks (7.62, 1.41, 24.58 ppm; 3.63 A): 1 out of 6 assignments used, quality = 0.97: * H LYS 93 + HG3 LYS 93 OK 97 100 - 97 - 5.1=35, 3034/2.9=27...(44) H LYS 93 - HG2 LYS 24 OK 36 73 - 49 - 7091=9, 2.9/3015=7...(16) H VAL 82 - HG3 LYS 93 OK 33 85 - 39 - 3022/2.9=7, 3034/2.9=7...(11) H VAL 82 - HG2 LYS 24 poor 6 55 - 12 - ~11342=5 H GLU 122 - HG3 LYS 93 lone 6 62 - 10 - 3022/2.9=1, 3034/2.9=1 H GLU 122 - HG2 LYS 24 lone 1 38 - 2 - Peak 3057 from cnoeabs.peaks (4.22, 1.41, 24.58 ppm; 3.29 A): 2 out of 14 assignments used, quality = 0.97: * HA LYS 93 + HG3 LYS 93 OK 95 100 - 95 - 4.0=57, 3012/2.9=19...(39) HA LYS 85 + HG3 LYS 93 OK 52 96 - 54 - 2.9/3062=7, 2574/1.8=6...(24) HA LYS 93 - HG2 LYS 24 OK 42 73 - 58 - 3015=11, 4.0/10906=9...(20) HA THR 102 - HG3 LYS 93 OK 23 100 - 23 - 3023/2.9=3, 3035/2.9=3...(7) HA ILE 101 - HG2 LYS 24 OK 22 68 - 33 - ~11349=5, ~11352=5...(14) HA ILE 101 - HG3 LYS 93 OK 21 98 - 21 - 3035/2.9=3, 3023/2.9=3...(7) HB THR 102 - HG3 LYS 93 OK 11 62 - 18 - 3035/2.9=2, 3023/2.9=2...(5) HA ALA 134 - HG3 LYS 93 OK 11 92 - 12 - ~9637=2, 3046/1.8=1...(6) HA PHE 45 - HG3 LYS 93 lone 8 100 - 8 - 3035/2.9=1, 3023/2.9=1 HA LYS 85 - HG2 LYS 24 lone 5 66 - 7 - HA THR 102 - HG2 LYS 24 lone 3 71 - 4 - HA PHE 45 - HG2 LYS 24 lone 2 73 - 3 - HA ALA 134 - HG2 LYS 24 lone 1 61 - 2 - HB THR 102 - HG2 LYS 24 lone 1 38 - 2 - Peak 3058 from cnoeabs.peaks (1.84, 1.41, 24.58 ppm; 2.90 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 93 + HG3 LYS 93 OK 100 100 - 100 - 2.9=100 HB2 LYS 93 + HG2 LYS 24 OK 50 73 - 68 - 3027=12, 2.9/10906=11...(26) HB3 LYS 76 - HG3 LYS 93 OK 34 62 - 54 - 3.0/3050=5, 3036/2.9=4...(30) HB3 LEU 126 - HG3 LYS 93 OK 27 100 - 27 - 3036/2.9=4, ~4277=3...(9) HB3 GLU 28 - HG3 LYS 93 OK 14 68 - 21 - 3.0/8054=4, 3069/3.0=3...(8) HB3 GLU 28 - HG2 LYS 24 poor 9 42 - 22 - 3.0/10893=6, ~10862=5...(7) HB3 LEU 126 - HG2 LYS 24 lone 2 72 - 3 - HB3 LYS 76 - HG2 LYS 24 lone 2 38 - 5 - Peak 3059 from cnoeabs.peaks (1.89, 1.41, 24.58 ppm; 2.88 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 93 + HG3 LYS 93 OK 100 100 - 100 - 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 56 58 - 96 - 3.0=92, 3.7/11364=9...(16) HB2 LYS 24 + HG3 LYS 93 OK 55 89 - 62 - 3.0/10906=14...(29) HB3 LYS 93 + HG2 LYS 24 OK 48 73 - 67 - 3039=11, 2.9/10906=10...(24) HB3 LYS 48 - HG3 LYS 93 OK 29 57 - 51 - 3.6/3063=4, 3.6/3062=3...(26) HB3 ARG 141 - HG3 LYS 93 OK 25 100 - 25 - 4791/3.0=2, 3025/2.9=2...(7) HB3 ARG 89 - HG3 LYS 93 OK 22 89 - 25 - 3025/2.9=2, 3070/3.0=2...(8) HB3 ARG 140 - HG3 LYS 93 OK 20 100 - 20 - 3025/2.9=2, 3048/1.8=2...(5) HB ILE 101 - HG2 LYS 24 OK 19 55 - 35 - ~10133=4, ~10177=4...(13) HB ILE 101 - HG3 LYS 93 OK 18 85 - 22 - 3025/2.9=2, 3048/1.8=2...(5) HB3 GLN 111 - HG2 LYS 24 poor 9 64 - 14 - 2.9/3615=2, 11336/1.8=2...(6) HB3 ARG 141 - HG2 LYS 24 poor 8 71 - 12 - 10903=1, 11336/1.8=1 HB3 GLN 111 - HG3 LYS 93 lone 7 94 - 7 - HB3 LEU 69 - HG3 LYS 93 lone 6 68 - 8 - HB3 ARG 140 - HG2 LYS 24 lone 5 72 - 7 - HB3 LYS 48 - HG2 LYS 24 poor 5 35 - 14 - 2.9/1187=2, ~10899=1...(4) HB3 ARG 89 - HG2 LYS 24 lone 5 58 - 8 - HB3 LEU 69 - HG2 LYS 24 lone 4 42 - 8 - Peak 3060 from cnoeabs.peaks (1.53, 1.41, 24.58 ppm; 2.50 A): 3 out of 16 assignments used, quality = 1.00: * HG2 LYS 93 + HG3 LYS 93 OK 100 100 - 100 - 1.8=100 HG3 LYS 85 + HG3 LYS 93 OK 50 94 - 53 - 3.0/3062=4, 3071/3.0=3...(18) HG3 LYS 76 + HG3 LYS 93 OK 49 100 - 49 - 3050=9, 3047/2.9=4...(17) HD2 LYS 76 - HG3 LYS 93 OK 44 99 - 45 - 3.0/3050=4, 3071/3.0=3...(20) HG2 LYS 93 - HG2 LYS 24 OK 42 73 - 58 - 1.8/10906=12, 3050=9...(24) HG3 PRO 57 - HG3 LYS 93 OK 14 89 - 16 - 1538/3.0=1, 2.3/3063=1...(4) HG3 PRO 57 - HG2 LYS 24 poor 8 58 - 15 - 2.3/10902=4, ~10895=3...(4) HB2 LEU 29 - HG3 LYS 93 lone 8 100 - 8 - QB ALA 135 - HG3 LYS 93 lone 5 99 - 5 - HG3 LYS 76 - HG2 LYS 24 lone 4 73 - 6 - HG3 LYS 85 - HG2 LYS 24 lone 3 64 - 5 - HD2 LYS 76 - HG2 LYS 24 lone 3 70 - 5 - HB2 LYS 123 - HG3 LYS 93 lone 2 81 - 3 - HB2 LYS 123 - HG2 LYS 24 lone 2 52 - 4 - HB2 LEU 29 - HG2 LYS 24 lone 1 71 - 2 - QB ALA 135 - HG2 LYS 24 lone 1 70 - 2 - Peak 3061 from cnoeabs.peaks (1.41, 1.41, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 93 + HG3 LYS 93 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 71 71 - 100 Peak 3062 from cnoeabs.peaks (1.68, 1.41, 24.58 ppm; 2.67 A): 4 out of 22 assignments used, quality = 1.00: * HD2 LYS 93 + HG3 LYS 93 OK 96 100 - 96 - 3.0=73, 3069/2.9=18...(46) HD3 LYS 48 + HG3 LYS 93 OK 71 98 - 73 - 3072=8, 3051/1.8=6...(35) HD2 LYS 48 + HG3 LYS 93 OK 54 77 - 70 - 1.8/3072=5, 3083=5...(34) HD2 LYS 93 + HG2 LYS 24 OK 48 73 - 66 - 10911/3.0=16...(26) HB2 LEU 95 - HG3 LYS 93 OK 23 77 - 30 - 1.8/3062=6, 3130/3.0=3...(13) HG3 ARG 141 - HG3 LYS 93 OK 20 98 - 21 - 4807/2.9=2, 2.8/3059=2...(6) HG2 ARG 89 - HG3 LYS 93 OK 14 77 - 18 - 2.8/3059=2, 3051/1.8=1...(4) HD3 LYS 48 - HG2 LYS 24 OK 11 68 - 16 - 3.0/1187=2, 3072=2, ~10899=1 HG LEU 97 - HG3 LYS 93 poor 10 96 - 10 - ~10132=1 HD2 LYS 48 - HG2 LYS 24 poor 7 49 - 14 - 3.0/1187=2, 1209=1...(4) HG LEU 26 - HG3 LYS 93 lone 7 81 - 8 - HG3 ARG 141 - HG2 LYS 24 lone 6 68 - 9 - HG LEU 26 - HG2 LYS 24 lone 5 52 - 9 - 4.3/10890=1, 262/3.0=1, ~11373=1 HB VAL 71 - HG3 LYS 93 lone 3 77 - 4 - HG2 ARG 89 - HG2 LYS 24 lone 2 49 - 4 - HG2 ARG 124 - HG3 LYS 93 lone 2 62 - 3 - HB2 ARG 145 - HG3 LYS 93 lone 2 89 - 2 - HG2 ARG 124 - HG2 LYS 24 lone 1 38 - 4 - HG LEU 97 - HG2 LYS 24 lone 1 66 - 2 - HB2 ARG 145 - HG2 LYS 24 lone 1 58 - 2 - HB2 LEU 95 - HG2 LYS 24 lone 1 49 - 2 - HB VAL 71 - HG2 LYS 24 lone 1 49 - 2 - Peak 3063 from cnoeabs.peaks (1.65, 1.41, 24.58 ppm; 2.52 A): 2 out of 24 assignments used, quality = 0.95: * HD3 LYS 93 + HG3 LYS 93 OK 92 100 - 92 - 3.0=61, 1.8/3072=15...(35) HD3 LYS 93 + HG2 LYS 24 OK 41 73 - 57 - 3083=9, 3.0/10906=8...(27) HD2 LYS 48 - HG3 LYS 93 OK 39 62 - 62 - 1.8/3072=5, 3083=4...(26) HB2 LYS 114 - HG3 LYS 93 OK 32 100 - 32 - 3748=4, 1.8/3760=3...(12) HG13 ILE 136 - HG3 LYS 93 OK 28 100 - 29 - 3083=4, 3080/2.9=3...(11) HB2 PRO 57 - HG3 LYS 93 OK 17 100 - 17 - 3052/1.8=2, 3041/2.9=1...(4) HB2 LEU 95 - HG3 LYS 93 OK 15 62 - 24 - 1.8/3062=5, ~3051=2...(9) HG2 ARG 140 - HG3 LYS 93 OK 14 99 - 14 - 4735/2.9=1, 3052/1.8=1...(4) HB2 LYS 114 - HG2 LYS 24 OK 12 73 - 17 - 3748=3, 1.8/3760=2...(7) HB2 PRO 57 - HG2 LYS 24 OK 11 72 - 15 - ~10895=4, 1.8/10902=4...(4) HG2 ARG 89 - HG3 LYS 93 poor 9 62 - 15 - 2.8/3059=1 HB3 LEU 26 - HG3 LYS 93 poor 6 62 - 10 - 4.6/3066=1 HB3 LEU 26 - HG2 LYS 24 poor 5 38 - 14 - 3.0/10890=2, ~10889=1...(4) HD2 LYS 48 - HG2 LYS 24 poor 4 38 - 11 - 3.0/1187=2, 1.8/1209=1 HG2 ARG 140 - HG2 LYS 24 lone 3 70 - 4 - HG13 ILE 136 - HG2 LYS 24 lone 3 71 - 4 - HB2 MET 68 - HG3 LYS 93 lone 2 81 - 3 - HG2 ARG 124 - HG3 LYS 93 lone 2 77 - 3 - HB2 MET 68 - HG2 LYS 24 lone 2 52 - 4 - HB VAL 71 - HG3 LYS 93 lone 2 62 - 3 - HG2 ARG 124 - HG2 LYS 24 lone 2 49 - 4 - HG2 ARG 89 - HG2 LYS 24 lone 1 38 - 4 - HB VAL 71 - HG2 LYS 24 lone 1 38 - 2 - HB2 LEU 95 - HG2 LYS 24 lone 1 38 - 2 - Peak 3064 from cnoeabs.peaks (2.95, 1.41, 24.58 ppm; 2.99 A): 6 out of 24 assignments used, quality = 1.00: * HE2 LYS 93 + HG3 LYS 93 OK 92 100 - 92 - 3.8=49, 3.0/3072=14...(62) HE3 LYS 93 + HG3 LYS 93 OK 79 85 - 93 - 3.8=49, 3.0/3072=14...(72) HE2 LYS 48 + HG3 LYS 93 OK 78 100 - 78 - 3094=6, 3.0/3063=5...(64) HE2 LYS 85 + HG3 LYS 93 OK 74 100 - 74 - 3094=5, 1.8/3105=5...(58) HE3 LYS 48 + HG3 LYS 93 OK 73 100 - 74 - 3094=5, 3.0/3063=5...(55) HE3 LYS 85 + HG3 LYS 93 OK 70 96 - 73 - 3105=5, 1.8/3094=4...(58) HE2 LYS 93 - HG2 LYS 24 OK 39 73 - 54 - ~10909=9, 3.8/10906=8...(20) HE3 LYS 93 - HG2 LYS 24 OK 27 55 - 48 - 10909/3.0=9, 3.8/10906=8...(17) HE3 LYS 61 - HG2 LYS 24 OK 16 38 - 43 - 10891/1.8=9, 10892=8...(10) HE2 LYS 61 - HG2 LYS 24 OK 16 38 - 41 - 10892=9, 10891/1.8=8...(10) HE2 LYS 48 - HG2 LYS 24 OK 10 72 - 14 - 3.6/1187=2, 1220=1 HE3 LYS 48 - HG2 LYS 24 poor 9 71 - 13 - 3.6/1187=2, 1220=1 HE2 LYS 85 - HG2 LYS 24 poor 8 72 - 10 - ~10909=1 HE3 LYS 61 - HG3 LYS 93 poor 6 62 - 10 - 10892/10906=2, 10891/11339=1 HE2 LYS 61 - HG3 LYS 93 poor 6 62 - 10 - 10892/10906=2 HE3 LYS 85 - HG2 LYS 24 lone 6 66 - 9 - 10909/3.0=1 HB2 TYR 115 - HG3 LYS 93 lone 4 100 - 4 - HB2 TYR 115 - HG2 LYS 24 lone 4 72 - 5 - HB2 PHE 106 - HG3 LYS 93 lone 2 100 - 2 - HB3 PHE 67 - HG3 LYS 93 lone 1 100 - 1 - HB3 PHE 67 - HG2 LYS 24 lone 1 72 - 2 - HB3 ASN 130 - HG3 LYS 93 lone 1 68 - 1 - HB2 PHE 106 - HG2 LYS 24 lone 1 72 - 1 - HB3 ASN 130 - HG2 LYS 24 lone 1 42 - 1 - Peak 3065 from cnoeabs.peaks (2.94, 1.41, 24.58 ppm; 2.99 A): 6 out of 26 assignments used, quality = 1.00: * HE3 LYS 93 + HG3 LYS 93 OK 93 100 - 93 - 3.8=49, 3.0/3072=14...(72) HE2 LYS 93 + HG3 LYS 93 OK 79 85 - 92 - 3.8=49, 3.0/3072=14...(62) HE3 LYS 85 + HG3 LYS 93 OK 74 99 - 75 - 3105=7, 3102/2.9=5...(58) HE3 LYS 48 + HG3 LYS 93 OK 70 94 - 74 - 3105=6, 3.0/3063=5...(55) HE2 LYS 85 + HG3 LYS 93 OK 66 89 - 74 - 1.8/3105=5, 3105=5...(58) HE2 LYS 48 + HG3 LYS 93 OK 62 81 - 77 - 3.0/3063=5, 3.0/3062=5...(64) HE3 LYS 93 - HG2 LYS 24 OK 42 73 - 58 - 10909/3.0=18...(19) HE2 LYS 61 - HG2 LYS 24 OK 33 68 - 48 - 10891/1.8=11, 10892=10...(11) HE3 LYS 61 - HG2 LYS 24 OK 32 68 - 47 - 10891/1.8=10, 10892=9...(11) HE2 LYS 93 - HG2 LYS 24 OK 29 55 - 53 - ~10909=9, 3.8/10906=8...(18) HE2 LYS 61 - HG3 LYS 93 OK 13 98 - 13 - 10892/10906=3...(3) HE3 LYS 61 - HG3 LYS 93 OK 12 98 - 12 - 10892/10906=2...(3) HE3 LYS 48 - HG2 LYS 24 poor 9 64 - 14 - 3.6/1187=2, 10909/3.0=2 HE3 LYS 85 - HG2 LYS 24 poor 8 70 - 12 - 10909/3.0=2 HE2 LYS 48 - HG2 LYS 24 poor 7 52 - 13 - 3.6/1187=2 HB2 HIS 14 - HG2 LYS 24 poor 6 38 - 16 - 1.8/10892=4, ~10891=3...(7) HE2 LYS 85 - HG2 LYS 24 lone 6 58 - 10 - ~10909=1 HB2 TYR 115 - HG3 LYS 93 lone 3 81 - 3 - HB2 TYR 115 - HG2 LYS 24 lone 2 52 - 4 - HB3 ASN 130 - HG2 LYS 24 lone 2 70 - 3 - HB3 ASN 130 - HG3 LYS 93 lone 2 99 - 2 - HB2 PHE 106 - HG3 LYS 93 lone 1 77 - 2 - HB3 PHE 67 - HG3 LYS 93 lone 1 77 - 1 - HB2 HIS 14 - HG3 LYS 93 lone 1 62 - 1 - HB3 PHE 67 - HG2 LYS 24 lone 1 49 - 2 - HB2 PHE 106 - HG2 LYS 24 lone 0 49 - 1 - Peak 3066 from cnoeabs.peaks (7.81, 1.41, 24.58 ppm; 4.08 A): 2 out of 10 assignments used, quality = 0.96: * H GLY 94 + HG3 LYS 93 OK 94 100 - 94 - 7100/2.9=28, 3044/2.9=20...(31) H TYR 27 + HG3 LYS 93 OK 39 92 - 43 - 3032/2.9=7, 3044/2.9=7...(14) H GLY 94 - HG2 LYS 24 OK 30 73 - 42 - 3.6/3015=8, 7103=8...(9) H SER 44 - HG3 LYS 93 OK 20 99 - 20 - 3032/2.9=3, 3044/2.9=3...(7) H LEU 26 - HG3 LYS 93 OK 20 62 - 32 - ~3033=4, 3032/2.9=4...(12) H THR 110 - HG3 LYS 93 OK 14 81 - 18 - 4.0/9290=5, 3044/2.9=2...(7) H LEU 26 - HG2 LYS 24 OK 13 38 - 33 - 2.9/10890=5, ~10889=4...(14) H TYR 27 - HG2 LYS 24 OK 11 61 - 18 - 3.6/10890=4, 6091/3.0=4...(4) H SER 44 - HG2 LYS 24 lone 3 70 - 4 - H THR 110 - HG2 LYS 24 lone 2 52 - 4 - 4.0/9290=1 Peak 3067 from cnoeabs.peaks (7.62, 1.68, 28.90 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 93 + HD2 LYS 93 OK 98 100 - 98 - 3034/3.4=26, 3022/3.4=26...(52) H LYS 93 + HD3 LYS 48 OK 59 92 - 65 - 4.1/3069=9, 7092=9...(30) H VAL 82 - HD2 LYS 93 OK 33 85 - 38 - 3022/3.4=7, 3034/3.4=6...(12) H GLU 122 - HD2 LYS 93 lone 6 62 - 9 - 3022/3.4=1, 3034/3.4=1...(4) H VAL 82 - HD3 LYS 48 lone 4 73 - 5 - 3022/3069=1 H GLU 122 - HD3 LYS 48 lone 1 52 - 2 - Peak 3068 from cnoeabs.peaks (4.22, 1.68, 28.90 ppm; 3.57 A): 3 out of 14 assignments used, quality = 1.00: * HA LYS 93 + HD2 LYS 93 OK 96 100 - 96 - 4.9=39, 3.0/3069=30...(48) HA LYS 93 + HD3 LYS 48 OK 72 92 - 79 - 3.0/3069=10, 3016=10...(45) HA LYS 85 + HD2 LYS 93 OK 63 96 - 65 - 3068=10, 3057/3.0=6...(36) HA LYS 85 - HD3 LYS 48 OK 36 85 - 43 - 1148/3.6=4, 1160/3.6=4...(15) HA THR 102 - HD2 LYS 93 OK 27 100 - 27 - 3068=4, 3035/3.4=3...(8) HA ILE 101 - HD2 LYS 93 OK 27 98 - 27 - 3068=4, 3035/3.4=3...(7) HA PHE 45 - HD3 LYS 48 OK 26 92 - 28 - 1019/6.0=7, 1020/3.6=5...(7) HB THR 102 - HD2 LYS 93 OK 15 62 - 24 - 3068=4, 3.0/3068=3...(7) HA ALA 134 - HD2 LYS 93 OK 15 92 - 16 - ~9637=4, 3068=2...(7) HA ILE 101 - HD3 LYS 48 OK 14 87 - 15 - 1020/3.6=2, 1021/3.6=2...(6) HA PHE 45 - HD2 LYS 93 OK 12 100 - 12 - 3068=2, 11215/1.8=1...(5) HA ALA 134 - HD3 LYS 48 poor 10 80 - 12 - ~9637=3, ~10324=2, 2.1/9637=2 HA THR 102 - HD3 LYS 48 lone 7 90 - 8 - HB THR 102 - HD3 LYS 48 lone 3 52 - 6 - Peak 3069 from cnoeabs.peaks (1.84, 1.68, 28.90 ppm; 2.69 A): 2 out of 8 assignments used, quality = 0.98: * HB2 LYS 93 + HD2 LYS 93 OK 93 100 - 93 - 3.4=47, 2.9/3072=12...(58) HB2 LYS 93 + HD3 LYS 48 OK 68 92 - 75 - 3028=8, 1.8/3040=6...(38) HB3 LYS 76 - HD2 LYS 93 OK 24 62 - 39 - 3.0/3071=4, 3.5/3071=3...(14) HB3 LEU 126 - HD2 LYS 93 OK 20 100 - 20 - 3036/3.4=2, 3058/3.0=2...(8) HB3 GLU 28 - HD2 LYS 93 OK 14 68 - 21 - 3069=5, ~8049=2...(7) HB3 LEU 126 - HD3 LYS 48 lone 7 91 - 7 - 3.1/10257=1 HB3 LYS 76 - HD3 LYS 48 lone 4 52 - 8 - HB3 GLU 28 - HD3 LYS 48 lone 3 57 - 5 - Peak 3070 from cnoeabs.peaks (1.89, 1.68, 28.90 ppm; 2.79 A): 3 out of 18 assignments used, quality = 0.99: * HB3 LYS 93 + HD2 LYS 93 OK 96 100 - 96 - 3.4=53, 1.8/3069=29...(63) HB3 LYS 93 + HD3 LYS 48 OK 71 92 - 78 - 1.8/3069=10, 3040=9...(45) HB2 LYS 24 + HD2 LYS 93 OK 52 89 - 58 - 3.7/10911=13, 1.8/3070=6...(31) HB3 LYS 48 - HD3 LYS 48 OK 44 48 - 93 - 3.6=47, 2.9/1190=8...(66) HB3 LYS 48 - HD2 LYS 93 OK 38 57 - 66 - 3070=6, 2.9/1179=5...(33) HB3 ARG 141 - HD2 LYS 93 OK 31 100 - 31 - 3070=5, 1.8/4782=3...(9) HB3 ARG 89 - HD2 LYS 93 OK 27 89 - 31 - 3070=4, 2870/1.8=3...(9) HB3 ARG 141 - HD3 LYS 48 OK 27 90 - 30 - 4791=4, 1.8/4782=2...(7) HB3 ARG 140 - HD2 LYS 93 OK 24 100 - 23 - 3070=4, 4727/1.8=2...(6) HB ILE 101 - HD2 LYS 93 OK 16 85 - 19 - 3070=2, 3025/3.4=1...(5) HB2 LYS 24 - HD3 LYS 48 OK 10 77 - 13 - 10883/3.0=2, ~11320=2 HB3 ARG 89 - HD3 LYS 48 lone 7 77 - 9 - HB3 GLN 111 - HD2 LYS 93 lone 7 94 - 7 - 3070=1 HB3 ARG 140 - HD3 LYS 48 lone 6 92 - 6 - HB3 LEU 69 - HD2 LYS 93 lone 5 68 - 8 - 3.2/9893=1 HB ILE 101 - HD3 LYS 48 lone 4 73 - 6 - HB3 LEU 69 - HD3 LYS 48 lone 3 57 - 4 - HB3 GLN 111 - HD3 LYS 48 lone 2 83 - 2 - Peak 3071 from cnoeabs.peaks (1.53, 1.68, 28.90 ppm; 2.77 A): 5 out of 16 assignments used, quality = 1.00: * HG2 LYS 93 + HD2 LYS 93 OK 98 100 - 98 - 3.0=81, 2.9/3069=20...(55) HG2 LYS 93 + HD3 LYS 48 OK 69 92 - 76 - 3051=9, 2.9/3069=7...(43) HG3 LYS 85 + HD2 LYS 93 OK 64 94 - 68 - 3071=9, 3060/3.0=4...(25) HG3 LYS 76 + HD2 LYS 93 OK 52 100 - 52 - 3071=8, 3060/3.0=4...(18) HD2 LYS 76 + HD2 LYS 93 OK 48 99 - 49 - 3071=8, 3060/3.0=4...(19) HG3 LYS 85 - HD3 LYS 48 OK 34 83 - 41 - 2618/3.6=2, 2623/3.0=2...(13) HG3 PRO 57 - HD2 LYS 93 OK 18 89 - 20 - 1538/1.8=2, ~1530=2...(6) HG3 LYS 76 - HD3 LYS 48 OK 12 92 - 13 - 3051=1 HB2 LEU 29 - HD2 LYS 93 lone 10 100 - 10 - 3071=2 HD2 LYS 76 - HD3 LYS 48 lone 8 89 - 9 - 2297/3.0=1 QB ALA 135 - HD2 LYS 93 lone 7 99 - 7 - 3071=1 HB2 LYS 123 - HD3 LYS 48 lone 6 69 - 8 - 4109/3.0=1 HB2 LYS 123 - HD2 LYS 93 lone 3 81 - 3 - QB ALA 135 - HD3 LYS 48 lone 2 89 - 2 - HB2 LEU 29 - HD3 LYS 48 lone 2 90 - 2 - HG3 PRO 57 - HD3 LYS 48 lone 2 77 - 2 - Peak 3072 from cnoeabs.peaks (1.41, 1.68, 28.90 ppm; 2.71 A): 3 out of 14 assignments used, quality = 1.00: * HG3 LYS 93 + HD2 LYS 93 OK 96 100 - 96 - 3.0=76, 2.9/3069=19...(50) HG3 LYS 93 + HD3 LYS 48 OK 68 92 - 74 - 3062=9, 1.8/3051=6...(37) HG2 LYS 24 + HD2 LYS 93 OK 67 100 - 68 - 3.0/10911=17...(28) HD2 LYS 114 - HD2 LYS 93 OK 36 94 - 39 - 3072=5, 3789/1.8=4...(19) HG2 LYS 36 - HD3 LYS 48 OK 31 90 - 34 - 688/3.0=4, 685/3.6=3...(8) HG2 LYS 36 - HD2 LYS 93 OK 20 100 - 20 - 3072=4, 3039/3.4=1...(5) HG LEU 116 - HD2 LYS 93 OK 18 77 - 23 - 3072=5, 3027/3.4=2...(8) HG2 LYS 24 - HD3 LYS 48 OK 15 90 - 16 - 1187/3.0=2, 1209=2...(5) HD2 LYS 114 - HD3 LYS 48 OK 15 83 - 17 - 3790/3.0=2, 3789/1.8=1 HG12 ILE 91 - HD2 LYS 93 OK 13 81 - 16 - ~8661=1, 3039/3.4=1...(4) HG12 ILE 91 - HD3 LYS 48 poor 8 69 - 11 - 1187/3.0=1, ~9801=1, ~9823=1 HB2 ARG 35 - HD2 LYS 93 lone 8 85 - 9 - 3072=2 HG LEU 116 - HD3 LYS 48 lone 3 65 - 5 - HB2 ARG 35 - HD3 LYS 48 lone 1 73 - 1 - Peak 3073 from cnoeabs.peaks (1.68, 1.68, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 93 + HD2 LYS 93 OK 100 100 - 100 HD3 LYS 48 + HD3 LYS 48 OK 87 87 - 100 Peak 3074 from cnoeabs.peaks (1.65, 1.68, 28.90 ppm; 2.50 A): 3 out of 24 assignments used, quality = 1.00: * HD3 LYS 93 + HD2 LYS 93 OK 100 100 - 100 - 1.8=100 HD3 LYS 93 + HD3 LYS 48 OK 61 92 - 66 - 3.4/3069=4, 1189/3.0=4...(31) HD2 LYS 48 + HD3 LYS 48 OK 52 52 - 100 - 1.8=100 HD2 LYS 48 - HD2 LYS 93 OK 41 62 - 66 - 3074=6, 1.8/3074=5...(28) HB2 LYS 114 - HD2 LYS 93 OK 31 100 - 31 - 3748/3.0=3, 3.6/3072=3...(13) HG13 ILE 136 - HD2 LYS 93 OK 29 100 - 29 - 3074=4, 3080/3.4=2...(14) HB2 PRO 57 - HD2 LYS 93 OK 20 100 - 20 - 3074=2, 1517/3.0=1...(5) HB2 LEU 95 - HD2 LYS 93 OK 20 62 - 32 - 3.0/3122=3, 3074=3...(15) HB2 LYS 114 - HD3 LYS 48 OK 17 92 - 18 - 3745/3.0=2, 1.8/1209=1 HG2 ARG 140 - HD2 LYS 93 OK 15 99 - 15 - 2.9/3070=1, 3074=1, 3041/3.4=1 HG2 ARG 89 - HD2 LYS 93 OK 13 62 - 21 - 3074=2, 2.8/3070=2...(4) HG13 ILE 136 - HD3 LYS 48 lone 8 90 - 9 - HB3 LEU 26 - HD2 LYS 93 poor 7 62 - 11 - HB2 MET 68 - HD3 LYS 48 lone 4 69 - 6 - HB2 MET 68 - HD2 LYS 93 lone 4 81 - 5 - HB2 LEU 95 - HD3 LYS 48 lone 4 52 - 7 - HG2 ARG 89 - HD3 LYS 48 lone 3 52 - 6 - HG2 ARG 140 - HD3 LYS 48 lone 3 89 - 3 - HG2 ARG 124 - HD2 LYS 93 lone 3 77 - 3 - HB VAL 71 - HD2 LYS 93 lone 3 62 - 4 - HG2 ARG 124 - HD3 LYS 48 lone 2 65 - 3 - HB2 PRO 57 - HD3 LYS 48 lone 2 92 - 2 - HB VAL 71 - HD3 LYS 48 lone 1 52 - 2 - HB3 LEU 26 - HD3 LYS 48 lone 0 52 - 1 - Peak 3075 from cnoeabs.peaks (2.95, 1.68, 28.90 ppm; 2.57 A): 8 out of 24 assignments used, quality = 1.00: * HE2 LYS 93 + HD2 LYS 93 OK 89 100 - 89 - 3.0=65, 3.8/3072=7...(43) HE3 LYS 93 + HD2 LYS 93 OK 76 85 - 89 - 3.0=65, 3.8/3072=7...(43) HE2 LYS 48 + HD3 LYS 48 OK 76 92 - 83 - 3.0=65, 3.6/1190=5...(46) HE3 LYS 48 + HD3 LYS 48 OK 74 90 - 82 - 3.0=65, 3.6/1190=5...(39) HE2 LYS 48 + HD2 LYS 93 OK 61 100 - 61 - 3075=6, 1.8/3076=4...(24) HE2 LYS 85 + HD2 LYS 93 OK 59 100 - 59 - 3075=6, 1.8/3076=4...(19) HE3 LYS 48 + HD2 LYS 93 OK 57 100 - 57 - 3075=6, 1.8/3075=4...(19) HE3 LYS 85 + HD2 LYS 93 OK 56 96 - 58 - 3075=5, 1.8/3075=4...(17) HE2 LYS 93 - HD3 LYS 48 OK 44 92 - 48 - 3.0/3084=3, 3095=3...(18) HE3 LYS 93 - HD3 LYS 48 OK 36 73 - 50 - 3.0/3084=3, 3106=3...(19) HE2 LYS 85 - HD3 LYS 48 OK 31 92 - 34 - 1191/3.0=2, 1180/3.0=2...(6) HE3 LYS 85 - HD3 LYS 48 OK 29 85 - 34 - 1191/3.0=2, 3106=2...(6) HB2 PHE 106 - HD3 LYS 48 OK 11 91 - 12 - HB2 TYR 115 - HD3 LYS 48 lone 5 92 - 5 - HB2 PHE 106 - HD2 LYS 93 lone 4 100 - 4 - HE3 LYS 61 - HD2 LYS 93 lone 3 62 - 5 - HE2 LYS 61 - HD2 LYS 93 lone 3 62 - 5 - HB2 TYR 115 - HD2 LYS 93 lone 3 100 - 3 - HB3 PHE 67 - HD3 LYS 48 lone 2 91 - 2 - HB3 PHE 67 - HD2 LYS 93 lone 2 100 - 2 - HB3 ASN 130 - HD2 LYS 93 lone 1 68 - 2 - HE3 LYS 61 - HD3 LYS 48 lone 1 52 - 1 - HE2 LYS 61 - HD3 LYS 48 lone 1 52 - 1 - HB3 ASN 130 - HD3 LYS 48 lone 0 57 - 1 - Peak 3076 from cnoeabs.peaks (2.94, 1.68, 28.90 ppm; 2.57 A): 9 out of 26 assignments used, quality = 1.00: * HE3 LYS 93 + HD2 LYS 93 OK 90 100 - 90 - 3.0=65, 3.8/3072=7...(43) HE2 LYS 93 + HD2 LYS 93 OK 76 85 - 89 - 3.0=65, 3.8/3072=7...(43) HE3 LYS 48 + HD3 LYS 48 OK 68 83 - 82 - 3.0=65, 3.6/1190=5...(39) HE3 LYS 85 + HD2 LYS 93 OK 59 99 - 60 - 3076=6, 1.8/3075=4...(18) HE2 LYS 48 + HD3 LYS 48 OK 57 69 - 82 - 3.0=65, 3.6/1190=5...(46) HE3 LYS 48 + HD2 LYS 93 OK 55 94 - 58 - 3076=6, 1.8/3075=4...(20) HE2 LYS 85 + HD2 LYS 93 OK 52 89 - 59 - 3076=5, 1.8/3076=4...(19) HE2 LYS 48 + HD2 LYS 93 OK 49 81 - 60 - 3075=5, 1.8/3076=4...(23) HE3 LYS 93 + HD3 LYS 48 OK 46 92 - 50 - 3106=4, 3.0/3084=3...(19) HE2 LYS 93 - HD3 LYS 48 OK 34 73 - 47 - 3.0/3084=3, 3.8/3051=3...(18) HE3 LYS 85 - HD3 LYS 48 OK 30 89 - 34 - 3106=2, 1192/3.0=2...(6) HE2 LYS 85 - HD3 LYS 48 OK 26 77 - 33 - 1181/3.0=2, 1191/3.0=2...(5) HB2 PHE 106 - HD3 LYS 48 poor 7 65 - 11 - HE2 LYS 61 - HD2 LYS 93 lone 7 98 - 7 - 11361/10911=2 HE3 LYS 61 - HD2 LYS 93 lone 7 98 - 7 - 11361/10911=2 HB2 TYR 115 - HD3 LYS 48 lone 4 69 - 5 - HB2 PHE 106 - HD2 LYS 93 lone 3 77 - 3 - HB3 ASN 130 - HD2 LYS 93 lone 2 99 - 2 - HB2 TYR 115 - HD2 LYS 93 lone 2 81 - 3 - HB3 PHE 67 - HD3 LYS 48 lone 1 65 - 2 - HE2 LYS 61 - HD3 LYS 48 lone 1 87 - 1 - HE3 LYS 61 - HD3 LYS 48 lone 1 87 - 1 - HB3 PHE 67 - HD2 LYS 93 lone 1 77 - 2 - HB3 ASN 130 - HD3 LYS 48 lone 1 89 - 1 - HB2 HIS 14 - HD2 LYS 93 lone 1 62 - 1 - HB2 HIS 14 - HD3 LYS 48 lone 0 52 - 0 - Peak 3078 from cnoeabs.peaks (7.62, 1.65, 28.90 ppm; 4.07 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 93 + HD3 LYS 93 OK 98 100 - 98 - 6.2=28, 3034/3.4=27...(52) H LYS 93 + HG13 ILE 136 OK 46 82 - 56 - 9035/2.1=8, 7093=8...(18) H VAL 82 - HD3 LYS 93 OK 34 85 - 40 - 3022/3.4=7, 3034/3.4=7...(11) H VAL 82 - HG13 ILE 136 OK 13 64 - 20 - ~10454=7, 8792/2.1=4...(4) H GLU 122 - HD3 LYS 93 poor 7 62 - 10 - 3022/3.4=1, 3034/3.4=1...(4) H GLU 122 - HG13 ILE 136 lone 2 45 - 5 - Peak 3079 from cnoeabs.peaks (4.22, 1.65, 28.90 ppm; 3.54 A): 2 out of 14 assignments used, quality = 0.98: * HA LYS 93 + HD3 LYS 93 OK 96 100 - 96 - 4.9=39, 3015/3.0=18...(46) HA LYS 85 + HD3 LYS 93 OK 59 96 - 62 - 3068/1.8=7, 3057/3.0=6...(31) HA ILE 101 - HG13 ILE 136 OK 35 78 - 45 - 11215=6, 3326/2.3=4...(24) HA LYS 93 - HG13 ILE 136 OK 27 82 - 33 - 2.9/3078=5, 3.0/3080=5...(11) HA ILE 101 - HD3 LYS 93 OK 26 98 - 26 - 11215=3, 3035/3.4=3...(8) HA THR 102 - HD3 LYS 93 OK 26 100 - 26 - 3068/1.8=3, 3035/3.4=3...(8) HA ALA 134 - HD3 LYS 93 OK 17 92 - 19 - 2.1/9637=6, ~10324=2...(7) HA ALA 134 - HG13 ILE 136 OK 16 70 - 23 - 7742/4.5=5, 2.1/9637=4...(8) HB THR 102 - HD3 LYS 93 OK 13 62 - 21 - 3068/1.8=3, 3023/3.4=2...(7) HA THR 102 - HG13 ILE 136 OK 11 81 - 14 - 9189/2.3=2, ~7201=1, ~7198=1 HA PHE 45 - HD3 LYS 93 OK 11 100 - 11 - 11215=2, 3068/1.8=1...(4) HA PHE 45 - HG13 ILE 136 lone 4 82 - 5 - HB THR 102 - HG13 ILE 136 lone 4 45 - 9 - ~9191=1, ~10340=1...(5) HA LYS 85 - HG13 ILE 136 lone 4 75 - 5 - Peak 3080 from cnoeabs.peaks (1.84, 1.65, 28.90 ppm; 2.72 A): 1 out of 8 assignments used, quality = 0.95: * HB2 LYS 93 + HD3 LYS 93 OK 95 100 - 95 - 3.4=49, 3069/1.8=28...(56) HB3 LYS 76 - HD3 LYS 93 OK 25 62 - 40 - 3036/3.4=3, 3058/3.0=3...(15) HB2 LYS 93 - HG13 ILE 136 OK 24 82 - 30 - 3029=4, 1.8/3041=3...(12) HB3 LEU 126 - HD3 LYS 93 OK 20 100 - 20 - 3036/3.4=3, 3058/3.0=2...(9) HB3 GLU 28 - HD3 LYS 93 OK 13 68 - 20 - 3069/1.8=4, ~8049=3...(7) HB3 LYS 76 - HG13 ILE 136 lone 3 45 - 7 - ~9689=1, ~9689=1 HB3 LEU 126 - HG13 ILE 136 lone 2 81 - 2 - HB3 GLU 28 - HG13 ILE 136 lone 0 49 - 1 - Peak 3081 from cnoeabs.peaks (1.89, 1.65, 28.90 ppm; 2.71 A): 2 out of 18 assignments used, quality = 0.97: * HB3 LYS 93 + HD3 LYS 93 OK 95 100 - 95 - 3.4=48, 1.8/3080=17...(58) HB2 LYS 24 + HD3 LYS 93 OK 42 89 - 47 - 3.0/3083=4, ~10887=3...(25) HB3 ARG 140 - HG13 ILE 136 OK 41 82 - 50 - 4727=4, 2.9/4745=3...(26) HB3 LYS 48 - HD3 LYS 93 OK 33 57 - 58 - 2.9/1189=5, 2.9/1178=5...(27) HB3 ARG 89 - HD3 LYS 93 OK 26 89 - 29 - 2870=3, 1.8/2862=3...(12) HB3 LYS 93 - HG13 ILE 136 OK 26 82 - 31 - 3041=4, 1.8/3080=4...(12) HB3 ARG 141 - HD3 LYS 93 OK 25 100 - 25 - 4791/1.8=3, 3059/3.0=2...(9) HB3 ARG 140 - HD3 LYS 93 OK 22 100 - 21 - 3070/1.8=2, 4727=2...(8) HB ILE 101 - HG13 ILE 136 OK 20 64 - 31 - 3334/2.3=3, ~4622=3...(11) HB3 ARG 89 - HG13 ILE 136 OK 19 67 - 28 - 2870=3, 1.8/2862=3...(11) HB3 GLN 111 - HG13 ILE 136 OK 16 73 - 22 - 3.0/11485=3, ~10341=3...(9) HB ILE 101 - HD3 LYS 93 OK 14 85 - 16 - 3070/1.8=1, 3.0/11215=1...(4) HB3 LEU 69 - HG13 ILE 136 poor 8 49 - 17 - 3.2/9934=2, ~9688=2...(6) HB3 GLN 111 - HD3 LYS 93 lone 6 94 - 6 - HB3 ARG 141 - HG13 ILE 136 lone 4 81 - 5 - HB3 LEU 69 - HD3 LYS 93 lone 4 68 - 6 - 3.2/9934=1 HB2 LYS 24 - HG13 ILE 136 lone 3 67 - 4 - HB3 LYS 48 - HG13 ILE 136 lone 2 41 - 4 - Peak 3082 from cnoeabs.peaks (1.53, 1.65, 28.90 ppm; 2.63 A): 3 out of 16 assignments used, quality = 0.99: * HG2 LYS 93 + HD3 LYS 93 OK 94 100 - 94 - 3.0=69, 3051/1.8=11...(44) HG3 LYS 85 + HD3 LYS 93 OK 58 94 - 62 - 3071/1.8=6, 3060/3.0=4...(24) HG3 LYS 76 + HD3 LYS 93 OK 46 100 - 46 - 3052=6, 3071/1.8=5...(14) HD2 LYS 76 - HD3 LYS 93 OK 43 99 - 43 - 3071/1.8=5, 3060/3.0=4...(13) QB ALA 135 - HG13 ILE 136 OK 33 79 - 41 - 10964/1.8=14...(11) HG3 PRO 57 - HG13 ILE 136 OK 26 67 - 38 - 1.8/1530=5, 1538=4...(19) HG2 LYS 93 - HG13 ILE 136 OK 26 82 - 31 - 3052=4, 9689/2.1=3...(12) HG3 PRO 57 - HD3 LYS 93 OK 17 89 - 19 - 1.8/1530=2, 2.3/1522=2...(4) HD2 LYS 76 - HG13 ILE 136 OK 13 79 - 17 - 9689/2.1=3, 10339/1.8=2...(5) HG3 LYS 76 - HG13 ILE 136 OK 13 82 - 16 - 9689/2.1=3, 3052=2...(4) QB ALA 135 - HD3 LYS 93 OK 10 99 - 10 - 4.0/9637=2, 3.7/7750=1 HB2 LEU 29 - HD3 LYS 93 lone 9 100 - 9 - 3.1/10843=1, 3.2/10842=1 HB2 LYS 123 - HG13 ILE 136 poor 7 60 - 12 - ~9687=5, 4.2/4627=1, 9693/3.7=1 HB2 LEU 29 - HG13 ILE 136 lone 7 81 - 9 - ~9672=2, 9689/2.1=1...(4) HG3 LYS 85 - HG13 ILE 136 lone 4 73 - 5 - HB2 LYS 123 - HD3 LYS 93 lone 3 81 - 3 - Peak 3083 from cnoeabs.peaks (1.41, 1.65, 28.90 ppm; 2.61 A): 2 out of 14 assignments used, quality = 0.98: * HG3 LYS 93 + HD3 LYS 93 OK 94 100 - 94 - 3.0=68, 3072/1.8=16...(40) HG2 LYS 24 + HD3 LYS 93 OK 60 100 - 60 - 10906/3.0=11, 1198=7...(27) HD2 LYS 114 - HD3 LYS 93 OK 35 94 - 37 - 3789=4, 1.8/3800=4...(14) HG3 LYS 93 - HG13 ILE 136 OK 25 82 - 31 - 3063=4, 2.9/3080=3...(13) HG LEU 116 - HG13 ILE 136 OK 21 56 - 38 - ~10227=5, 3883/1.8=4...(15) HG2 LYS 36 - HD3 LYS 93 OK 17 100 - 17 - 3072/1.8=2, 3039/3.4=1...(4) HG LEU 116 - HD3 LYS 93 OK 16 77 - 20 - 3072/1.8=3, 3027/3.4=2...(7) HG12 ILE 91 - HD3 LYS 93 OK 14 81 - 17 - ~8661=1, 1198=1...(5) HG12 ILE 91 - HG13 ILE 136 poor 9 60 - 14 - 10649/2.1=1, 2971/3.7=1...(4) HD2 LYS 114 - HG13 ILE 136 lone 7 73 - 10 - 1.8/3800=2, 3789=1 HB2 ARG 35 - HD3 LYS 93 lone 6 85 - 7 - 3072/1.8=1 HG2 LYS 24 - HG13 ILE 136 lone 4 81 - 4 - HG2 LYS 36 - HG13 ILE 136 lone 2 81 - 2 - HB2 ARG 35 - HG13 ILE 136 lone 1 64 - 2 - Peak 3084 from cnoeabs.peaks (1.68, 1.65, 28.90 ppm; 2.50 A): 3 out of 22 assignments used, quality = 1.00: * HD2 LYS 93 + HD3 LYS 93 OK 100 100 - 100 - 1.8=100 HD3 LYS 48 + HD3 LYS 93 OK 65 98 - 66 - 3069/3.4=4, 3.0/1189=4...(31) HD2 LYS 48 + HD3 LYS 93 OK 49 77 - 64 - 3.0/1189=4, 3.0/1178=4...(30) HD2 LYS 93 - HG13 ILE 136 OK 24 82 - 29 - 3074=4, 3.4/3080=2...(14) HB2 LEU 95 - HD3 LYS 93 OK 22 77 - 29 - 1.8/3084=3, 3130/1.8=3...(18) HB VAL 71 - HG13 ILE 136 OK 22 56 - 39 - 2.1/2094=3, ~9685=3...(20) HG3 ARG 141 - HD3 LYS 93 OK 19 98 - 19 - 4807/3.4=2, 2.8/3081=1...(5) HG2 ARG 89 - HD3 LYS 93 OK 17 77 - 22 - 1.8/2886=3, 2.8/2870=2...(7) HG2 ARG 89 - HG13 ILE 136 OK 14 56 - 24 - 1.8/2886=3, 2.8/2862=2...(11) HG LEU 97 - HG13 ILE 136 OK 11 75 - 15 - 3215/2.3=1, ~4638=1...(7) HG LEU 97 - HD3 LYS 93 lone 9 96 - 9 - HG2 ARG 124 - HG13 ILE 136 poor 9 45 - 20 - ~9668=2, ~9668=2...(9) HD3 LYS 48 - HG13 ILE 136 lone 7 78 - 9 - HB2 LEU 95 - HG13 ILE 136 lone 6 56 - 10 - HG LEU 26 - HD3 LYS 93 lone 5 81 - 6 - HD2 LYS 48 - HG13 ILE 136 lone 4 56 - 7 - HB VAL 71 - HD3 LYS 93 lone 3 77 - 4 - HB2 ARG 145 - HG13 ILE 136 lone 3 67 - 4 - HB2 ARG 145 - HD3 LYS 93 lone 2 89 - 2 - HG2 ARG 124 - HD3 LYS 93 lone 2 62 - 3 - HG3 ARG 141 - HG13 ILE 136 lone 2 78 - 3 - HG LEU 26 - HG13 ILE 136 lone 1 60 - 2 - Peak 3085 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 93 + HD3 LYS 93 OK 100 100 - 100 HG13 ILE 136 + HG13 ILE 136 OK 81 81 - 100 Peak 3086 from cnoeabs.peaks (2.95, 1.65, 28.90 ppm; 2.50 A): 6 out of 24 assignments used, quality = 1.00: * HE2 LYS 93 + HD3 LYS 93 OK 86 100 - 86 - 3.0=60, 1.8/3107=6...(38) HE3 LYS 93 + HD3 LYS 93 OK 73 85 - 86 - 3.0=60, 3076/1.8=5...(36) HE2 LYS 48 + HD3 LYS 93 OK 60 100 - 61 - 3096=5, 3075/1.8=4...(23) HE2 LYS 85 + HD3 LYS 93 OK 59 100 - 59 - 3096=5, 3075/1.8=4...(20) HE3 LYS 48 + HD3 LYS 93 OK 56 100 - 57 - 3096=5, 3075/1.8=4...(20) HE3 LYS 85 + HD3 LYS 93 OK 55 96 - 58 - 3107=5, 3075/1.8=4...(17) HE2 LYS 93 - HG13 ILE 136 OK 13 82 - 16 - 3.0/3074=1, 3096=1...(5) HE3 LYS 93 - HG13 ILE 136 poor 10 64 - 15 - 3.0/3074=1, 3107=1...(4) HB2 TYR 115 - HG13 ILE 136 lone 5 82 - 6 - ~4728=1, 9366/1.8=1, ~10217=1 HE2 LYS 48 - HG13 ILE 136 lone 4 82 - 5 - HB2 TYR 115 - HD3 LYS 93 lone 4 100 - 4 - HE3 LYS 48 - HG13 ILE 136 lone 4 81 - 5 - HB2 PHE 106 - HD3 LYS 93 lone 3 100 - 3 - HB3 PHE 67 - HG13 ILE 136 lone 3 81 - 4 - ~9665=1 HE3 LYS 61 - HD3 LYS 93 lone 3 62 - 4 - HE2 LYS 61 - HD3 LYS 93 lone 3 62 - 4 - HE2 LYS 85 - HG13 ILE 136 lone 2 82 - 2 - HE3 LYS 85 - HG13 ILE 136 lone 2 75 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 2 100 - 2 - HB3 ASN 130 - HD3 LYS 93 lone 1 68 - 2 - HB2 PHE 106 - HG13 ILE 136 lone 0 81 - 1 - HE3 LYS 61 - HG13 ILE 136 lone 0 45 - 1 - HE2 LYS 61 - HG13 ILE 136 lone 0 45 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 49 - 0 - Peak 3087 from cnoeabs.peaks (2.94, 1.65, 28.90 ppm; 2.50 A): 6 out of 26 assignments used, quality = 1.00: * HE3 LYS 93 + HD3 LYS 93 OK 86 100 - 86 - 3.0=60, 3076/1.8=6...(36) HE2 LYS 93 + HD3 LYS 93 OK 73 85 - 86 - 3.0=60, 1.8/3107=6...(38) HE3 LYS 85 + HD3 LYS 93 OK 58 99 - 59 - 3107=6, 3076/1.8=4...(17) HE3 LYS 48 + HD3 LYS 93 OK 54 94 - 57 - 3107=5, 3076/1.8=4...(20) HE2 LYS 85 + HD3 LYS 93 OK 52 89 - 58 - 3107=4, 1.8/3107=4...(20) HE2 LYS 48 + HD3 LYS 93 OK 48 81 - 59 - 3096=4, 3075/1.8=3...(23) HE3 LYS 93 - HG13 ILE 136 OK 13 82 - 16 - 3107=2, 3.0/3074=1...(4) HE2 LYS 93 - HG13 ILE 136 poor 10 64 - 15 - 3.0/3074=1, 1.8/3107=1...(4) HE2 LYS 61 - HD3 LYS 93 lone 5 98 - 5 - HE3 LYS 61 - HD3 LYS 93 lone 5 98 - 5 - HE3 LYS 48 - HG13 ILE 136 lone 4 73 - 5 - HB2 TYR 115 - HD3 LYS 93 lone 3 81 - 4 - HE2 LYS 48 - HG13 ILE 136 lone 3 60 - 5 - HB2 TYR 115 - HG13 ILE 136 lone 3 60 - 5 - ~4728=1, ~10217=1, 9366/1.8=1 HB2 PHE 106 - HD3 LYS 93 lone 3 77 - 3 - HE3 LYS 85 - HG13 ILE 136 lone 2 79 - 2 - HB3 PHE 67 - HG13 ILE 136 lone 2 56 - 3 - ~9665=1 HB3 ASN 130 - HD3 LYS 93 lone 2 99 - 2 - HE2 LYS 85 - HG13 ILE 136 lone 1 67 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 1 77 - 2 - HE2 LYS 61 - HG13 ILE 136 lone 1 78 - 1 - HE3 LYS 61 - HG13 ILE 136 lone 1 78 - 1 - HB2 HIS 14 - HG13 ILE 136 lone 1 45 - 1 - 4.2/4634=1 HB2 HIS 14 - HD3 LYS 93 lone 0 62 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 79 - 0 - HB2 PHE 106 - HG13 ILE 136 lone 0 56 - 0 - Peak 3090 from cnoeabs.peaks (4.22, 2.95, 41.80 ppm; 3.95 A): 10 out of 35 assignments used, quality = 1.00: * HA LYS 93 + HE2 LYS 93 OK 94 100 - 94 - 5.9=30, 3015/3.8=18...(41) HA LYS 85 + HE2 LYS 85 OK 90 96 - 94 - 5.8=31, 2573/3.5=27...(52) HA LYS 93 + HE2 LYS 48 OK 81 100 - 81 - 3018=7, 3016/3.0=7...(45) HA LYS 93 + HE3 LYS 48 OK 76 98 - 78 - 3018=7, 3016/3.0=7...(41) HA LYS 93 + HE2 LYS 85 OK 76 100 - 76 - 2605/3.5=8, 2616/3.5=8...(36) HA LYS 85 + HE3 LYS 85 OK 75 80 - 94 - 5.8=31, 2573/3.5=27...(54) HA LYS 93 + HE3 LYS 85 OK 65 87 - 74 - 2605/3.5=8, 2616/3.5=8...(36) HA LYS 85 + HE2 LYS 93 OK 61 96 - 63 - 3068/3.0=7, 3057/3.8=6...(27) HA LYS 85 + HE2 LYS 48 OK 53 96 - 56 - 2577=5, 2577/1.8=4...(25) HA LYS 85 + HE3 LYS 48 OK 51 93 - 55 - 2577=5, 2577/1.8=4...(23) HA PHE 45 - HE2 LYS 48 OK 24 100 - 25 - 1019/7.0=6, 1020/4.9=4...(7) HA PHE 45 - HE3 LYS 48 OK 24 98 - 25 - 1019/7.0=6, 1020/4.9=4...(7) HA THR 102 - HE2 LYS 85 OK 23 99 - 23 - 2605/3.5=3, 2616/3.5=3...(9) HA THR 102 - HE2 LYS 93 OK 21 100 - 21 - 3068/3.0=3, 3057/3.8=2...(9) HA THR 102 - HE3 LYS 85 OK 19 85 - 23 - 2605/3.5=3, 2616/3.5=3...(9) HA ILE 101 - HE2 LYS 93 OK 19 98 - 19 - 11215/3.0=3, 3068/3.0=3...(6) HA ALA 134 - HE2 LYS 93 OK 16 92 - 18 - 2.1/10324=5, ~9637=3...(7) HA ALA 134 - HE2 LYS 48 OK 15 91 - 17 - 2.1/10324=5, ~10324=3...(4) HA ALA 134 - HE3 LYS 48 OK 14 88 - 17 - 2.1/10324=5, ~10324=4...(4) HA ILE 101 - HE2 LYS 48 OK 13 98 - 13 - 1020/4.9=2, 1021/4.9=2...(6) HA ILE 101 - HE3 LYS 48 OK 13 95 - 13 - 1020/4.9=2, 1021/4.9=2...(6) HB THR 102 - HE2 LYS 85 OK 12 62 - 19 - 2605/3.5=3, 2616/3.5=3...(8) HB THR 102 - HE2 LYS 93 OK 10 62 - 16 - 3068/3.0=2, 3057/3.8=2...(7) HA PHE 45 - HE2 LYS 93 lone 9 100 - 8 - 11215/3.0=1, 3068/3.0=1 HA PHE 45 - HE2 LYS 85 lone 8 100 - 8 - 1020/4.8=2, 2605/3.5=1...(4) HB THR 102 - HE3 LYS 85 poor 9 48 - 18 - 2605/3.5=3, 2616/3.5=3...(8) HA ILE 101 - HE2 LYS 85 lone 8 98 - 8 - 2605/3.5=1, 1020/4.8=1 HA ALA 134 - HE2 LYS 85 lone 8 91 - 8 - 2.1/10324=2, ~10324=1 HA THR 102 - HE2 LYS 48 lone 7 99 - 7 - HA PHE 45 - HE3 LYS 85 lone 7 87 - 8 - 1020/4.8=2, 2605/3.5=1...(4) HA THR 102 - HE3 LYS 48 lone 7 97 - 7 - HA ILE 101 - HE3 LYS 85 lone 7 82 - 8 - 2605/3.5=1, 1020/4.8=1 HA ALA 134 - HE3 LYS 85 lone 6 75 - 8 - 2.1/10324=2, ~10324=2 HB THR 102 - HE2 LYS 48 lone 3 62 - 5 - HB THR 102 - HE3 LYS 48 lone 3 59 - 5 - Peak 3091 from cnoeabs.peaks (1.84, 2.95, 41.80 ppm; 3.19 A): 5 out of 20 assignments used, quality = 1.00: * HB2 LYS 93 + HE2 LYS 93 OK 94 100 - 94 - 3069/3.0=25, 5.1=24...(76) HB2 LYS 93 + HE2 LYS 48 OK 81 100 - 81 - 3069/3.0=9, 3080/3.0=8...(64) HB2 LYS 93 + HE2 LYS 85 OK 79 100 - 79 - 3026/3.5=5, 1.8/3042=4...(61) HB2 LYS 93 + HE3 LYS 48 OK 77 98 - 79 - 3069/3.0=9, 3080/3.0=8...(57) HB2 LYS 93 + HE3 LYS 85 OK 68 87 - 78 - 3026/3.5=5, 1.8/3042=4...(58) HB3 LEU 126 - HE2 LYS 85 OK 25 100 - 25 - 4284/2.9=2, 2607/3.5=2...(6) HB3 LEU 126 - HE3 LYS 85 OK 21 86 - 25 - 4284/2.9=2, 2607/3.5=2...(5) HB3 LYS 76 - HE2 LYS 85 OK 20 62 - 33 - 2.9/10982=2, 1.8/1220=2...(10) HB3 LYS 76 - HE2 LYS 93 OK 18 62 - 29 - 3080/3.0=4, 3069/3.0=3...(12) HB3 LEU 126 - HE2 LYS 93 OK 18 100 - 18 - 3080/3.0=3, 3069/3.0=3...(7) HB3 GLU 28 - HE2 LYS 93 OK 16 68 - 24 - ~8049=6, 3069/3.0=3...(10) HB3 LYS 76 - HE3 LYS 85 OK 16 48 - 33 - 2.9/10982=2, 1.8/1231=2...(12) HB3 LEU 126 - HE2 LYS 48 lone 8 100 - 8 - HB3 LEU 126 - HE3 LYS 48 lone 7 98 - 7 - HB3 LYS 76 - HE2 LYS 48 poor 6 62 - 10 - HB3 LYS 76 - HE3 LYS 48 lone 6 59 - 10 - HB3 GLU 28 - HE2 LYS 85 lone 6 67 - 8 - 3.0/8049=1, ~8050=1, 3.0/8050=1 HB3 GLU 28 - HE2 LYS 48 lone 5 67 - 8 - 3.0/8049=2, ~8049=1 HB3 GLU 28 - HE3 LYS 48 lone 5 63 - 8 - 3.0/8049=2, ~8049=1 HB3 GLU 28 - HE3 LYS 85 lone 4 52 - 8 - 3.0/8049=1 Peak 3092 from cnoeabs.peaks (1.89, 2.95, 41.80 ppm; 3.26 A): 7 out of 45 assignments used, quality = 1.00: * HB3 LYS 93 + HE2 LYS 93 OK 94 100 - 94 - 5.1=26, ~3069=13...(78) HB3 LYS 93 + HE2 LYS 48 OK 82 100 - 83 - 3040/3.0=6, 3042=5...(66) HB3 LYS 93 + HE2 LYS 85 OK 81 100 - 81 - 3042=5, 3043/1.8=5...(66) HB3 LYS 93 + HE3 LYS 48 OK 78 98 - 80 - 3040/3.0=6, 3042=5...(60) HB3 LYS 93 + HE3 LYS 85 OK 69 87 - 80 - 3042=5, 3038/3.5=5...(63) HB3 LYS 48 + HE2 LYS 48 OK 50 57 - 87 - 4.9=30, 2.9/1191=6...(75) HB3 LYS 48 + HE3 LYS 48 OK 47 54 - 87 - 4.9=30, 2.9/1191=6...(74) HB3 LYS 48 - HE2 LYS 93 OK 39 57 - 69 - 2.9/1191=4, 2.9/1180=4...(66) HB2 LYS 24 - HE2 LYS 93 OK 39 89 - 44 - ~11335=4, ~10878=4...(22) HB3 LYS 48 - HE2 LYS 85 OK 28 57 - 50 - 2.9/1180=3, 2.9/1191=3...(36) HB3 LYS 48 - HE3 LYS 85 OK 22 44 - 50 - 2.9/1191=3, 2.9/1180=3...(38) HB3 ARG 141 - HE2 LYS 48 OK 21 99 - 21 - 4791/3.0=2, 4790/3.6=2...(6) HB3 ARG 141 - HE2 LYS 93 OK 20 100 - 20 - 3070/3.0=3, 3081/3.0=2...(7) HB3 ARG 141 - HE3 LYS 48 OK 20 97 - 20 - 4791/3.0=2, 4790/3.6=2...(6) HB3 ARG 89 - HE2 LYS 93 OK 17 89 - 20 - 3070/3.0=3, 2870/3.0=2...(6) HB3 ARG 140 - HE2 LYS 93 OK 15 100 - 15 - 3070/3.0=2, 3081/3.0=2...(4) HB ILE 101 - HE2 LYS 93 OK 11 85 - 13 - 3070/3.0=1, 3059/3.8=1...(4) HB2 LYS 24 - HE2 LYS 48 OK 10 88 - 12 - 10883/3.6=2 HB2 LYS 24 - HE3 LYS 48 poor 9 85 - 11 - 10883/3.6=2 HB2 LYS 24 - HE2 LYS 85 lone 7 88 - 8 - HB3 ARG 89 - HE2 LYS 48 lone 6 88 - 6 - HB3 ARG 89 - HE3 LYS 48 lone 5 85 - 6 - HB2 LYS 24 - HE3 LYS 85 lone 5 72 - 7 - HB3 GLN 111 - HE2 LYS 93 lone 5 94 - 5 - HB3 ARG 140 - HE2 LYS 48 lone 4 100 - 4 - HB3 ARG 141 - HE2 LYS 85 lone 4 99 - 4 - HB3 ARG 140 - HE3 LYS 48 lone 4 98 - 4 - HB ILE 101 - HE2 LYS 48 lone 4 85 - 4 - HB ILE 101 - HE2 LYS 85 lone 4 85 - 4 - ~10177=1 HB3 ARG 141 - HE3 LYS 85 lone 3 85 - 4 - HB ILE 101 - HE3 LYS 48 lone 3 81 - 4 - HB3 LEU 69 - HE2 LYS 93 lone 3 68 - 5 - HB ILE 101 - HE3 LYS 85 lone 3 68 - 4 - ~10177=1 HB3 LEU 69 - HE2 LYS 85 lone 2 67 - 4 - HB3 ARG 89 - HE2 LYS 85 lone 2 88 - 2 - HB3 LEU 69 - HE2 LYS 48 lone 2 67 - 3 - HB3 LEU 69 - HE3 LYS 48 lone 2 63 - 3 - HB3 LEU 69 - HE3 LYS 85 lone 2 52 - 4 - HB3 ARG 140 - HE2 LYS 85 lone 2 100 - 2 - HB3 ARG 89 - HE3 LYS 85 lone 2 72 - 2 - HB3 GLN 111 - HE2 LYS 48 lone 1 94 - 2 - HB3 GLN 111 - HE3 LYS 48 lone 1 90 - 2 - HB3 ARG 140 - HE3 LYS 85 lone 1 87 - 2 - HB3 GLN 111 - HE2 LYS 85 lone 1 94 - 1 - HB3 GLN 111 - HE3 LYS 85 lone 1 78 - 1 - Peak 3093 from cnoeabs.peaks (1.53, 2.95, 41.80 ppm; 2.91 A): 10 out of 40 assignments used, quality = 1.00: * HG2 LYS 93 + HE2 LYS 93 OK 90 100 - 90 - 3.8=45, 3051/3.0=9...(61) HG3 LYS 85 + HE2 LYS 85 OK 86 94 - 91 - 3.5=58, 2622/2.9=8...(62) HG2 LYS 93 + HE2 LYS 48 OK 75 100 - 75 - 3051/3.0=5, 3053=4...(55) HG2 LYS 93 + HE2 LYS 85 OK 71 100 - 72 - 3053=4, 3054/1.8=4...(45) HG3 LYS 85 + HE3 LYS 85 OK 71 78 - 91 - 3.5=58, 2622/2.9=8...(61) HG2 LYS 93 + HE3 LYS 48 OK 69 98 - 70 - 3051/3.0=5, 3053=4...(48) HG2 LYS 93 + HE3 LYS 85 OK 61 87 - 70 - 3054=4, 1.8/3065=4...(44) HG3 LYS 85 + HE2 LYS 93 OK 60 94 - 63 - 1.8/2652=5, 3071/3.0=5...(26) HG3 LYS 85 + HE2 LYS 48 OK 48 94 - 51 - 1.8/2652=4, 2623=3...(22) HG3 LYS 85 + HE3 LYS 48 OK 45 90 - 50 - 1.8/2652=4, 2623=3...(22) HG3 LYS 76 - HE2 LYS 85 OK 38 100 - 38 - 2609/3.5=4, 2631/2.9=2...(13) HG3 LYS 76 - HE3 LYS 85 OK 33 87 - 38 - 2609/3.5=4, 2631/2.9=2...(13) HG3 LYS 76 - HE2 LYS 93 OK 26 100 - 26 - 3071/3.0=4, 3060/3.8=3...(9) HD2 LYS 76 - HE2 LYS 85 OK 25 99 - 25 - 2298/4.8=2, 2609/3.5=2...(5) HD2 LYS 76 - HE2 LYS 93 OK 24 99 - 24 - 3071/3.0=4, 3060/3.8=3...(7) HD2 LYS 76 - HE3 LYS 85 OK 20 84 - 24 - 2298/4.8=2, 2609/3.5=2...(5) HB2 LEU 29 - HE2 LYS 85 OK 15 99 - 15 - ~10042=3, 2609/3.5=1, ~10043=1 HB2 LEU 29 - HE3 LYS 85 OK 13 85 - 15 - ~10042=3, 2609/3.5=1, ~10043=1 HG3 PRO 57 - HE2 LYS 93 OK 11 89 - 12 - 1538/3.0=2, ~1530=1 HG3 LYS 76 - HE2 LYS 48 OK 10 100 - 10 - HG3 LYS 76 - HE3 LYS 48 lone 10 98 - 10 - HD2 LYS 76 - HE2 LYS 48 lone 8 99 - 8 - 2297/3.6=1 HD2 LYS 76 - HE3 LYS 48 lone 8 96 - 8 - 2297/3.6=1 HG3 PRO 57 - HE2 LYS 85 lone 7 88 - 7 - QB ALA 135 - HE2 LYS 93 lone 6 99 - 6 - 4.0/10324=2 HB2 LYS 123 - HE2 LYS 85 lone 6 81 - 8 - QB ALA 135 - HE2 LYS 85 lone 6 99 - 6 - HB2 LEU 29 - HE2 LYS 93 lone 6 100 - 5 - HG3 PRO 57 - HE3 LYS 85 lone 5 72 - 7 - HB2 LYS 123 - HE3 LYS 85 lone 5 64 - 7 - QB ALA 135 - HE3 LYS 85 lone 4 84 - 5 - QB ALA 135 - HE2 LYS 48 lone 4 99 - 4 - 4.0/10324=2 HB2 LYS 123 - HE2 LYS 48 lone 4 81 - 4 - QB ALA 135 - HE3 LYS 48 lone 3 96 - 4 - 4.0/10324=2 HB2 LYS 123 - HE3 LYS 48 lone 3 77 - 4 - HB2 LEU 29 - HE2 LYS 48 lone 3 99 - 3 - HB2 LEU 29 - HE3 LYS 48 lone 3 97 - 3 - HB2 LYS 123 - HE2 LYS 93 lone 2 81 - 2 - HG3 PRO 57 - HE2 LYS 48 lone 2 88 - 2 - HG3 PRO 57 - HE3 LYS 48 lone 1 85 - 2 - Peak 3094 from cnoeabs.peaks (1.41, 2.95, 41.80 ppm; 2.94 A): 6 out of 35 assignments used, quality = 1.00: * HG3 LYS 93 + HE2 LYS 93 OK 91 100 - 91 - 3.8=47, 3072/3.0=13...(62) HG3 LYS 93 + HE2 LYS 48 OK 76 100 - 76 - 3064=6, 3065/1.8=5...(61) HG3 LYS 93 + HE2 LYS 85 OK 73 100 - 73 - 3064=6, 3065/1.8=5...(52) HG3 LYS 93 + HE3 LYS 48 OK 71 98 - 72 - 3064=6, 3063/3.0=5...(51) HG3 LYS 93 + HE3 LYS 85 OK 62 87 - 71 - 3065=5, 3065/1.8=5...(51) HG2 LYS 24 + HE2 LYS 93 OK 54 100 - 55 - 10906/3.8=10, ~10909=8...(18) HG2 LYS 36 - HE2 LYS 48 OK 23 99 - 24 - 688/3.6=4, 685/4.9=2...(6) HG2 LYS 36 - HE3 LYS 48 OK 23 97 - 23 - 688/3.6=4, 685/4.9=2...(6) HD2 LYS 114 - HE2 LYS 93 OK 20 94 - 21 - 3789/3.0=4, 3072/3.0=3...(9) HG2 LYS 36 - HE2 LYS 93 OK 14 100 - 14 - 3072/3.0=2, 3083/3.0=1 HG2 LYS 24 - HE2 LYS 48 OK 14 99 - 14 - 1187/3.6=2, 1220=1 HG2 LYS 36 - HE2 LYS 85 OK 13 99 - 13 - 688/2.9=1 HG2 LYS 24 - HE3 LYS 48 OK 12 97 - 13 - 1187/3.6=2, 1220=1 HG LEU 116 - HE2 LYS 93 OK 11 77 - 15 - 3072/3.0=3, ~10290=1...(7) HD2 LYS 114 - HE2 LYS 48 OK 11 94 - 11 - 3790/3.6=2, 3789/3.0=1 HG2 LYS 36 - HE3 LYS 85 OK 11 85 - 12 - 688/2.9=1 HD2 LYS 114 - HE3 LYS 48 OK 10 90 - 11 - 3790/3.6=2, 3789/3.0=1 HG2 LYS 24 - HE2 LYS 85 OK 10 99 - 10 - HG12 ILE 91 - HE2 LYS 93 poor 8 81 - 10 - 3.2/10640=2, 3083/3.0=1 HG2 LYS 24 - HE3 LYS 85 lone 7 85 - 8 - HG LEU 116 - HE2 LYS 48 lone 5 77 - 7 - HG12 ILE 91 - HE2 LYS 48 lone 5 81 - 7 - 1187/3.6=1 HG12 ILE 91 - HE3 LYS 48 lone 5 77 - 7 - 1187/3.6=1 HG LEU 116 - HE3 LYS 48 lone 5 73 - 7 - HG LEU 116 - HE2 LYS 85 lone 4 77 - 6 - HB2 ARG 35 - HE2 LYS 93 lone 4 85 - 5 - 3072/3.0=1 HG LEU 116 - HE3 LYS 85 lone 3 61 - 6 - HG12 ILE 91 - HE2 LYS 85 lone 3 81 - 3 - HD2 LYS 114 - HE2 LYS 85 lone 2 94 - 3 - HG12 ILE 91 - HE3 LYS 85 lone 2 64 - 3 - HD2 LYS 114 - HE3 LYS 85 lone 2 78 - 2 - HB2 ARG 35 - HE2 LYS 48 lone 1 85 - 2 - HB2 ARG 35 - HE3 LYS 48 lone 1 81 - 2 - HB2 ARG 35 - HE2 LYS 85 lone 1 85 - 1 - HB2 ARG 35 - HE3 LYS 85 lone 1 68 - 1 - Peak 3095 from cnoeabs.peaks (1.68, 2.95, 41.80 ppm; 2.50 A): 10 out of 55 assignments used, quality = 1.00: * HD2 LYS 93 + HE2 LYS 93 OK 87 100 - 87 - 3.0=60, 3072/3.8=7...(40) HD3 LYS 48 + HE2 LYS 48 OK 77 98 - 79 - 3.0=60, 1190/3.6=4...(35) HD3 LYS 48 + HE3 LYS 48 OK 75 95 - 79 - 3.0=60, 1190/3.6=4...(35) HD2 LYS 48 + HE2 LYS 48 OK 61 77 - 79 - 3.0=60, 1190/3.6=4...(35) HD2 LYS 93 + HE2 LYS 48 OK 59 100 - 59 - 3075=6, 1.8/3086=4...(20) HD2 LYS 93 + HE2 LYS 85 OK 58 100 - 58 - 3075=5, 3076/1.8=4...(17) HD2 LYS 48 + HE3 LYS 48 OK 58 73 - 79 - 3.0=60, 1190/3.6=4...(35) HD2 LYS 93 + HE3 LYS 48 OK 55 98 - 56 - 3075=5, 3075/1.8=4...(19) HD2 LYS 93 + HE3 LYS 85 OK 49 87 - 57 - 3075=5, 3075/1.8=4...(15) HD3 LYS 48 + HE2 LYS 93 OK 46 98 - 47 - 3084/3.0=3, 3075=3...(15) HD2 LYS 48 - HE2 LYS 93 OK 35 77 - 45 - 1202=3, 3074/3.0=3...(14) HD3 LYS 48 - HE2 LYS 85 OK 31 98 - 32 - 3075=2, 3.0/1191=2...(6) HD3 LYS 48 - HE3 LYS 85 OK 26 82 - 32 - 3075=2, 3.0/1191=2...(6) HD2 LYS 48 - HE2 LYS 85 OK 24 77 - 32 - 1202=2, 3.0/1191=2...(5) HD2 LYS 48 - HE3 LYS 85 OK 19 61 - 31 - 1203=2, 3.0/1191=2...(5) HG3 ARG 141 - HE2 LYS 48 OK 12 98 - 13 - 4808/3.6=1, 1179/3.6=1 HG3 ARG 141 - HE3 LYS 48 OK 12 95 - 12 - 4808/3.6=1, 1179/3.6=1 HB2 LEU 95 - HE2 LYS 93 OK 11 77 - 15 - 3130/3.0=2, ~3137=1, 3084/3.0=1 HG3 ARG 141 - HE2 LYS 93 OK 10 98 - 10 - HG2 ARG 89 - HE2 LYS 93 lone 7 77 - 9 - HG LEU 97 - HE2 LYS 48 lone 5 96 - 5 - HG LEU 97 - HE3 LYS 48 lone 5 93 - 5 - HG LEU 97 - HE2 LYS 93 lone 5 96 - 5 - HB2 ARG 145 - HE2 LYS 85 lone 4 88 - 5 - HB2 ARG 145 - HE3 LYS 85 lone 4 72 - 5 - HG LEU 26 - HE2 LYS 93 lone 3 81 - 4 - HB2 LEU 95 - HE2 LYS 48 lone 3 77 - 3 - HB2 LEU 95 - HE2 LYS 85 lone 3 77 - 3 - HB2 LEU 95 - HE3 LYS 48 lone 2 73 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 2 77 - 3 - HB2 LEU 95 - HE3 LYS 85 lone 2 61 - 3 - HG2 ARG 89 - HE3 LYS 48 lone 2 73 - 2 - HG3 ARG 141 - HE2 LYS 85 lone 2 98 - 2 - HG LEU 26 - HE2 LYS 85 lone 2 81 - 2 - ~10961=1 HB VAL 71 - HE2 LYS 93 lone 2 77 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 1 88 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 1 85 - 2 - HG3 ARG 141 - HE3 LYS 85 lone 1 82 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 89 - 1 - HG LEU 26 - HE3 LYS 85 lone 1 64 - 2 - ~10961=1 HG2 ARG 124 - HE2 LYS 85 lone 1 62 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 1 62 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 1 62 - 2 - HG LEU 97 - HE2 LYS 85 lone 1 96 - 1 - HG2 ARG 124 - HE3 LYS 48 lone 1 59 - 2 - HB VAL 71 - HE2 LYS 48 lone 1 77 - 1 - HB VAL 71 - HE3 LYS 48 lone 1 73 - 1 - HG2 ARG 124 - HE3 LYS 85 lone 1 48 - 2 - HG LEU 97 - HE3 LYS 85 lone 1 80 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 77 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 61 - 1 - HG LEU 26 - HE2 LYS 48 lone 0 81 - 1 - HG LEU 26 - HE3 LYS 48 lone 0 77 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 77 - 0 - HB VAL 71 - HE3 LYS 85 lone 0 61 - 0 - Peak 3096 from cnoeabs.peaks (1.65, 2.95, 41.80 ppm; 2.50 A): 7 out of 60 assignments used, quality = 1.00: * HD3 LYS 93 + HE2 LYS 93 OK 86 100 - 86 - 3.0=60, 3087/1.8=6...(40) HD3 LYS 93 + HE2 LYS 48 OK 60 100 - 60 - 3086=7, 1.8/3075=4...(22) HD3 LYS 93 + HE2 LYS 85 OK 58 100 - 58 - 3086=7, 3087/1.8=4...(19) HD3 LYS 93 + HE3 LYS 48 OK 56 98 - 57 - 3086=6, 3086/1.8=4...(21) HD3 LYS 93 + HE3 LYS 85 OK 49 87 - 57 - 3086=6, 3086/1.8=4...(17) HD2 LYS 48 + HE2 LYS 48 OK 49 62 - 78 - 3.0=60, 1.8/1202=3...(34) HD2 LYS 48 + HE3 LYS 48 OK 46 59 - 78 - 3.0=60, 1.8/1202=3...(34) HD2 LYS 48 - HE2 LYS 93 OK 26 62 - 43 - 3074/3.0=2, 3.0/1191=2...(12) HD2 LYS 48 - HE2 LYS 85 OK 19 62 - 31 - 3.0/1191=2, 3.0/1180=2...(4) HG13 ILE 136 - HE2 LYS 93 OK 15 100 - 16 - 3074/3.0=1, 3086=1...(4) HB2 LYS 114 - HE2 LYS 93 OK 15 100 - 15 - 3748/3.8=2, 3074/3.0=1...(4) HD2 LYS 48 - HE3 LYS 85 OK 15 48 - 30 - 3.0/1191=2, 3.0/1180=2...(4) HB2 PRO 57 - HE2 LYS 93 lone 10 100 - 10 - 1517/3.8=1 HB2 LYS 114 - HE2 LYS 48 lone 9 100 - 9 - 3745/3.6=2 HB2 LYS 114 - HE3 LYS 48 lone 8 98 - 9 - 3745/3.6=2 HB2 LEU 95 - HE2 LYS 93 poor 8 62 - 13 - 3130/3.0=2, ~3137=1 HG2 ARG 140 - HE2 LYS 93 lone 7 99 - 7 - HG13 ILE 136 - HE2 LYS 48 lone 5 99 - 5 - HG13 ILE 136 - HE3 LYS 48 lone 5 97 - 5 - HG2 ARG 89 - HE2 LYS 93 lone 5 62 - 8 - HB2 PRO 57 - HE2 LYS 85 lone 4 100 - 4 - HB2 PRO 57 - HE3 LYS 85 lone 4 87 - 4 - HB3 LEU 26 - HE2 LYS 93 lone 3 62 - 5 - HB2 MET 68 - HE2 LYS 48 lone 3 81 - 4 - HB2 MET 68 - HE3 LYS 48 lone 3 77 - 3 - HG13 ILE 136 - HE2 LYS 85 lone 2 99 - 2 - HB2 LYS 114 - HE2 LYS 85 lone 2 100 - 2 - HG13 ILE 136 - HE3 LYS 85 lone 2 85 - 2 - HB2 MET 68 - HE2 LYS 93 lone 2 81 - 2 - HB2 LEU 95 - HE2 LYS 48 lone 2 62 - 3 - HB2 LEU 95 - HE2 LYS 85 lone 2 62 - 3 - HB2 LEU 95 - HE3 LYS 48 lone 2 59 - 3 - HG2 ARG 140 - HE2 LYS 48 lone 2 99 - 2 - HB2 LYS 114 - HE3 LYS 85 lone 2 87 - 2 - HG2 ARG 140 - HE3 LYS 48 lone 2 96 - 2 - HB2 PRO 57 - HE2 LYS 48 lone 2 100 - 2 - HG2 ARG 89 - HE2 LYS 48 lone 2 62 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 1 77 - 2 - HB2 PRO 57 - HE3 LYS 48 lone 1 98 - 1 - HG2 ARG 89 - HE3 LYS 48 lone 1 59 - 2 - HB2 LEU 95 - HE3 LYS 85 lone 1 48 - 3 - HG2 ARG 124 - HE2 LYS 93 lone 1 77 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 1 77 - 2 - HB3 LEU 26 - HE2 LYS 85 lone 1 62 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 1 73 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 1 61 - 2 - HB VAL 71 - HE2 LYS 93 lone 1 62 - 2 - HB3 LEU 26 - HE3 LYS 85 lone 1 48 - 2 - HG2 ARG 140 - HE2 LYS 85 lone 1 99 - 1 - HB VAL 71 - HE2 LYS 48 lone 1 62 - 1 - HB VAL 71 - HE3 LYS 48 lone 1 59 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 81 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 1 84 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 0 62 - 1 - HB2 MET 68 - HE3 LYS 85 lone 0 64 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 0 48 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 62 - 1 - HB3 LEU 26 - HE2 LYS 48 lone 0 62 - 0 - HB3 LEU 26 - HE3 LYS 48 lone 0 59 - 0 - HB VAL 71 - HE3 LYS 85 lone 0 48 - 1 - Peak 3097 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 93 + HE2 LYS 93 OK 100 100 - 100 HE2 LYS 85 + HE2 LYS 85 OK 100 100 - 100 HE2 LYS 48 + HE2 LYS 48 OK 100 100 - 100 HE3 LYS 48 + HE3 LYS 48 OK 97 97 - 100 HE3 LYS 85 + HE3 LYS 85 OK 80 80 - 100 Peak 3098 from cnoeabs.peaks (2.94, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 48 + HE3 LYS 48 OK 90 90 - 100 HE2 LYS 85 + HE2 LYS 85 OK 88 88 - 100 HE2 LYS 93 + HE2 LYS 93 OK 85 85 - 100 HE3 LYS 85 + HE3 LYS 85 OK 84 84 - 100 HE2 LYS 48 + HE2 LYS 48 OK 81 81 - 100 Reference assignment not found: HE3 LYS 93 - HE2 LYS 93 Peak 3101 from cnoeabs.peaks (4.22, 2.94, 41.80 ppm; 3.81 A): 7 out of 42 assignments used, quality = 1.00: * HA LYS 93 + HE3 LYS 93 OK 92 100 - 92 - 5.9=27, 3015/3.8=17...(41) HA LYS 85 + HE3 LYS 85 OK 83 90 - 92 - 5.8=28, 2573/3.5=25...(52) HA LYS 93 + HE3 LYS 85 OK 70 96 - 74 - 2605/3.5=8, 3.0/3102=8...(36) HA LYS 93 + HE3 LYS 48 OK 61 81 - 75 - 3019=7, 3.0/3102=7...(41) HA LYS 85 + HE3 LYS 93 OK 60 96 - 62 - 3068/3.0=7, 3057/3.8=6...(26) HA LYS 85 + HE2 LYS 85 OK 55 59 - 92 - 5.8=28, 2573/3.5=25...(50) HA LYS 93 + HE2 LYS 85 OK 48 65 - 73 - 2605/3.5=8, 2616/3.5=8...(36) HA LYS 85 - HE3 LYS 48 OK 38 74 - 52 - 2578=4, 2577/1.8=4...(21) HA THR 102 - HE3 LYS 85 OK 20 94 - 22 - 2605/3.5=3, 2616/3.5=3...(9) HA THR 102 - HE3 LYS 93 OK 19 100 - 19 - 3068/3.0=3, 3057/3.8=2...(7) HA PHE 45 - HE3 LYS 48 OK 18 81 - 23 - 1019/7.0=5, 1020/4.9=4...(7) HA ILE 101 - HE3 LYS 93 OK 17 98 - 18 - 11215/3.0=3, 3068/3.0=2...(6) HA THR 102 - HE2 LYS 85 OK 14 64 - 22 - 2605/3.5=3, 2616/3.5=3...(9) HA ALA 134 - HE3 LYS 93 OK 14 92 - 15 - ~10324=3, ~9637=3...(6) HB THR 102 - HE3 LYS 85 poor 10 56 - 17 - 2605/3.5=3, 2616/3.5=3...(7) HB THR 102 - HE3 LYS 93 poor 9 62 - 15 - 3068/3.0=2, 3057/3.8=2...(7) HA ILE 101 - HE3 LYS 48 poor 9 76 - 12 - 1020/4.9=2, 1021/4.9=2...(6) HA ALA 134 - HE3 LYS 48 poor 9 69 - 14 - ~10324=3, 2.1/10324=3, ~9637=2 HA LYS 93 - HE2 LYS 61 lone 9 92 - 10 - 3015/10892=1 HA LYS 93 - HE3 LYS 61 lone 9 92 - 9 - 3015/10892=1 HA PHE 45 - HE3 LYS 93 lone 8 100 - 8 - 11215/3.0=1, 3068/3.0=1 HA PHE 45 - HE3 LYS 85 lone 8 96 - 8 - 1020/4.8=1, 2605/3.5=1 HA ILE 101 - HE3 LYS 85 lone 7 92 - 8 - 2605/3.5=1 HB THR 102 - HE2 LYS 85 poor 6 34 - 17 - 2605/3.5=3, 2616/3.5=3...(7) HA ALA 134 - HE3 LYS 85 lone 6 84 - 7 - ~10324=2, 2.1/10324=1 HA LYS 85 - HE3 LYS 61 lone 6 85 - 7 - 8860/8336=2 HA LYS 85 - HE2 LYS 61 lone 6 85 - 7 - 8860/8336=2 HA THR 102 - HE3 LYS 48 lone 5 79 - 7 - HA PHE 45 - HE2 LYS 85 lone 5 65 - 8 - 1020/4.8=1, 2605/3.5=1 HA ILE 101 - HE2 LYS 85 lone 5 61 - 7 - 2605/3.5=1 HA ALA 134 - HE2 LYS 85 lone 4 55 - 7 - 2.1/10324=1, ~10324=1 HA THR 102 - HE2 LYS 61 lone 3 90 - 3 - HA THR 102 - HE3 LYS 61 lone 3 90 - 3 - HB THR 102 - HE3 LYS 48 lone 2 43 - 5 - HA ILE 101 - HE2 LYS 61 lone 2 87 - 2 - HA ILE 101 - HE3 LYS 61 lone 2 87 - 2 - HB THR 102 - HE2 LYS 61 lone 1 52 - 3 - HB THR 102 - HE3 LYS 61 lone 1 52 - 3 - HA PHE 45 - HE2 LYS 61 lone 1 92 - 1 - HA PHE 45 - HE3 LYS 61 lone 1 92 - 1 - HA ALA 134 - HE2 LYS 61 lone 0 80 - 1 - HA ALA 134 - HE3 LYS 61 lone 0 80 - 1 - Peak 3102 from cnoeabs.peaks (1.84, 2.94, 41.80 ppm; 3.12 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 93 + HE3 LYS 93 OK 93 100 - 93 - 3069/3.0=24, 5.1=22...(75) HB2 LYS 93 + HE3 LYS 85 OK 73 96 - 77 - 1.8/3043=4, 3026/3.5=4...(54) HB2 LYS 93 + HE3 LYS 48 OK 62 81 - 77 - 3069/3.0=8, 3080/3.0=7...(56) HB2 LYS 93 + HE2 LYS 85 OK 50 65 - 77 - 3026/3.5=4, 3031/1.8=4...(57) HB3 LEU 126 - HE3 LYS 85 OK 22 95 - 24 - 4284/2.9=2, 2607/3.5=2...(5) HB3 LYS 76 - HE3 LYS 93 OK 17 62 - 28 - 3080/3.0=4, 3069/3.0=3...(10) HB3 LEU 126 - HE3 LYS 93 OK 17 100 - 17 - 3080/3.0=3, 3069/3.0=2...(7) HB3 LYS 76 - HE3 LYS 85 OK 17 56 - 30 - ~2255=2, 3.0/3054=1...(10) HB3 GLU 28 - HE3 LYS 93 OK 15 68 - 23 - 3.0/8049=5, 3.0/8050=4...(9) HB3 LEU 126 - HE2 LYS 85 OK 15 65 - 23 - 4284/2.9=2, 2607/3.5=2...(5) HB3 LYS 76 - HE2 LYS 85 poor 10 34 - 29 - ~2255=2, 2267/3.5=1...(9) HB2 LYS 93 - HE2 LYS 61 lone 9 92 - 10 - 3027/10892=1 HB2 LYS 93 - HE3 LYS 61 lone 9 92 - 9 - 3027/10892=1 HB3 LEU 126 - HE3 LYS 48 lone 6 80 - 7 - HB3 GLU 28 - HE3 LYS 85 lone 5 60 - 8 - 3.0/8050=2, 3.0/8049=1 HB3 LYS 76 - HE3 LYS 48 lone 4 43 - 9 - HB3 GLU 28 - HE3 LYS 48 lone 3 47 - 7 - 3.0/8049=1, 3.0/8050=1, ~8049=1 HB3 GLU 28 - HE2 LYS 85 lone 3 37 - 7 - 3.0/8050=1, 3.0/8049=1, ~8050=1 HB3 GLU 28 - HE2 LYS 61 lone 2 57 - 3 - 3.0/8049=2 HB3 GLU 28 - HE3 LYS 61 lone 1 57 - 3 - ~8049=1 HB3 LYS 76 - HE2 LYS 61 lone 1 52 - 2 - 8897/8336=1 HB3 LYS 76 - HE3 LYS 61 lone 1 52 - 2 - 8897/8336=1 HB3 LEU 126 - HE2 LYS 61 lone 1 91 - 1 - HB3 LEU 126 - HE3 LYS 61 lone 1 91 - 1 - Peak 3103 from cnoeabs.peaks (1.89, 2.94, 41.80 ppm; 3.12 A): 4 out of 54 assignments used, quality = 1.00: * HB3 LYS 93 + HE3 LYS 93 OK 92 100 - 92 - 5.1=22, ~3069=11...(75) HB3 LYS 93 + HE3 LYS 85 OK 73 96 - 77 - 3043=5, 2.9/3105=4...(54) HB3 LYS 93 + HE3 LYS 48 OK 61 81 - 76 - 3040/3.0=6, 3041/3.0=5...(56) HB3 LYS 93 + HE2 LYS 85 OK 50 65 - 77 - 3043=4, 3043/1.8=4...(56) HB2 LYS 24 - HE3 LYS 93 OK 44 89 - 49 - 3.7/10909=14...(19) HB3 LYS 48 - HE3 LYS 93 OK 38 57 - 67 - 3070/3.0=3, 2.9/1192=3...(58) HB2 LYS 24 - HE2 LYS 61 OK 37 77 - 49 - 3.0/10892=9, 3.0/10891=9...(15) HB2 LYS 24 - HE3 LYS 61 OK 37 77 - 48 - 3.0/10891=8, 3.0/10892=8...(15) HB3 LYS 48 - HE3 LYS 48 OK 33 39 - 83 - 4.9=26, 2.9/1191=4...(73) HB3 LYS 48 - HE3 LYS 85 OK 23 51 - 45 - 2.9/1192=2, 2.9/1181=2...(33) HB3 ARG 141 - HE3 LYS 93 OK 18 100 - 18 - 4791/3.0=3, 3081/3.0=2...(5) HB3 ARG 89 - HE3 LYS 93 OK 16 89 - 19 - 3070/3.0=2, 2870/3.0=2...(6) HB3 ARG 141 - HE3 LYS 48 OK 14 79 - 18 - 4791/3.0=2, 4790/3.6=2 HB3 ARG 140 - HE3 LYS 93 OK 14 100 - 14 - 3070/3.0=2, 3081/3.0=2...(4) HB3 LYS 48 - HE2 LYS 85 OK 14 31 - 45 - 2.9/1181=2, 2.9/1192=2...(27) HB ILE 101 - HE3 LYS 93 OK 11 85 - 13 - 3070/3.0=1, 3059/3.8=1 HB3 LYS 93 - HE2 LYS 61 OK 10 92 - 11 - 10903/10892=1 HB3 LYS 93 - HE3 LYS 61 poor 10 92 - 11 - HB2 LYS 24 - HE3 LYS 48 poor 8 66 - 12 - 10883/3.6=2, 3.7/10909=1 HB2 LYS 24 - HE3 LYS 85 lone 7 81 - 9 - 3.7/10909=2 HB3 GLN 111 - HE3 LYS 93 lone 5 94 - 5 - HB3 ARG 89 - HE3 LYS 48 lone 4 66 - 5 - HB3 ARG 141 - HE3 LYS 85 lone 4 94 - 4 - HB2 LYS 24 - HE2 LYS 85 lone 3 52 - 7 - HB ILE 101 - HE3 LYS 85 lone 3 78 - 4 - ~10177=1 HB3 LEU 69 - HE3 LYS 93 lone 3 68 - 4 - HB3 ARG 140 - HE3 LYS 48 lone 3 80 - 3 - HB ILE 101 - HE2 LYS 61 lone 2 73 - 3 - HB3 ARG 141 - HE2 LYS 85 lone 2 64 - 4 - HB ILE 101 - HE3 LYS 48 lone 2 62 - 4 - HB3 ARG 141 - HE2 LYS 61 lone 2 90 - 2 - HB ILE 101 - HE3 LYS 61 lone 2 73 - 3 - HB3 ARG 141 - HE3 LYS 61 lone 2 90 - 2 - HB3 LEU 69 - HE3 LYS 85 lone 2 60 - 3 - HB3 ARG 89 - HE3 LYS 85 lone 2 81 - 2 - HB ILE 101 - HE2 LYS 85 lone 2 49 - 4 - ~10177=1 HB3 ARG 140 - HE3 LYS 85 lone 1 95 - 1 - HB3 LEU 69 - HE3 LYS 48 lone 1 47 - 3 - HB3 GLN 111 - HE2 LYS 61 lone 1 83 - 1 - HB3 GLN 111 - HE3 LYS 61 lone 1 83 - 1 - HB3 LEU 69 - HE2 LYS 85 lone 1 37 - 3 - HB3 ARG 89 - HE2 LYS 85 lone 1 52 - 2 - HB3 LYS 48 - HE2 LYS 61 lone 1 48 - 2 - HB3 LYS 48 - HE3 LYS 61 lone 1 48 - 2 - HB3 GLN 111 - HE3 LYS 48 lone 1 71 - 1 - HB3 ARG 140 - HE2 LYS 61 lone 1 92 - 1 - HB3 ARG 140 - HE3 LYS 61 lone 1 92 - 1 - HB3 ARG 140 - HE2 LYS 85 lone 1 65 - 1 - HB3 ARG 89 - HE2 LYS 61 lone 1 77 - 1 - HB3 ARG 89 - HE3 LYS 61 lone 1 77 - 1 - HB3 GLN 111 - HE3 LYS 85 lone 1 87 - 1 - HB3 LEU 69 - HE2 LYS 61 lone 1 57 - 1 - HB3 LEU 69 - HE3 LYS 61 lone 0 57 - 1 - HB3 GLN 111 - HE2 LYS 85 lone 0 57 - 1 - Peak 3104 from cnoeabs.peaks (1.53, 2.94, 41.80 ppm; 2.68 A): 6 out of 48 assignments used, quality = 1.00: * HG2 LYS 93 + HE3 LYS 93 OK 85 100 - 85 - 3.8=36, 3051/3.0=8...(56) HG3 LYS 85 + HE3 LYS 85 OK 74 87 - 85 - 3.5=46, 2622/2.9=7...(49) HG2 LYS 93 + HE3 LYS 85 OK 62 96 - 64 - 3054=4, 1.8/3105=4...(38) HG3 LYS 85 + HE3 LYS 93 OK 54 94 - 58 - 1.8/2663=4, 3071/3.0=4...(25) HG2 LYS 93 + HE3 LYS 48 OK 51 81 - 64 - 3051/3.0=4, 3054=4...(40) HG3 LYS 85 + HE2 LYS 85 OK 48 57 - 84 - 3.5=46, 2622/2.9=7...(49) HG2 LYS 93 - HE2 LYS 85 OK 42 65 - 64 - 3054=4, 1.8/3065=4...(41) HG3 LYS 85 - HE3 LYS 48 OK 31 71 - 43 - 1.8/2663=3, 2624=2...(19) HG3 LYS 76 - HE3 LYS 85 OK 29 96 - 31 - 2609/3.5=3, 2631/2.9=2...(8) HG3 LYS 76 - HE3 LYS 93 OK 22 100 - 22 - 3071/3.0=3, 3060/3.8=3...(7) HD2 LYS 76 - HE3 LYS 93 OK 20 99 - 20 - 3071/3.0=4, 3060/3.8=3...(5) HG3 LYS 76 - HE2 LYS 85 OK 20 65 - 30 - 2609/3.5=3, 2631/2.9=2...(8) HD2 LYS 76 - HE3 LYS 85 OK 19 93 - 20 - 2298/4.8=2, 2609/3.5=1 HD2 LYS 76 - HE2 LYS 85 OK 12 63 - 20 - 2298/4.8=2, 2609/3.5=1 HB2 LEU 29 - HE3 LYS 85 OK 11 94 - 12 - ~10042=2, 2609/3.5=1 HG3 PRO 57 - HE3 LYS 93 poor 9 89 - 10 - 1538/3.0=2 HB2 LEU 29 - HE2 LYS 85 poor 7 64 - 12 - ~10042=2, 2609/3.5=1 HG3 LYS 76 - HE3 LYS 48 lone 6 81 - 8 - HG2 LYS 93 - HE2 LYS 61 lone 6 92 - 7 - HG2 LYS 93 - HE3 LYS 61 lone 6 92 - 7 - HG3 PRO 57 - HE3 LYS 85 lone 5 81 - 6 - HD2 LYS 76 - HE3 LYS 48 lone 5 78 - 6 - QB ALA 135 - HE3 LYS 93 lone 4 99 - 4 - HB2 LEU 29 - HE3 LYS 93 lone 4 100 - 4 - HB2 LYS 123 - HE3 LYS 85 lone 4 74 - 5 - QB ALA 135 - HE3 LYS 85 lone 4 93 - 4 - HG3 LYS 85 - HE2 LYS 61 lone 3 83 - 4 - HG3 LYS 85 - HE3 LYS 61 lone 3 83 - 4 - HG3 PRO 57 - HE2 LYS 85 lone 3 52 - 6 - QB ALA 135 - HE2 LYS 85 lone 3 63 - 4 - HB2 LYS 123 - HE2 LYS 85 lone 2 46 - 5 - QB ALA 135 - HE2 LYS 61 lone 2 89 - 2 - QB ALA 135 - HE3 LYS 61 lone 2 89 - 2 - HB2 LYS 123 - HE3 LYS 48 lone 2 59 - 3 - HD2 LYS 76 - HE2 LYS 61 lone 2 89 - 2 - HD2 LYS 76 - HE3 LYS 61 lone 2 89 - 2 - 8662/8336=1 QB ALA 135 - HE3 LYS 48 lone 2 78 - 2 - HB2 LYS 123 - HE3 LYS 93 lone 2 81 - 2 - HB2 LEU 29 - HE3 LYS 48 lone 1 79 - 2 - HG3 LYS 76 - HE2 LYS 61 lone 1 92 - 1 - HG3 LYS 76 - HE3 LYS 61 lone 1 92 - 1 - HG3 PRO 57 - HE3 LYS 48 lone 1 66 - 1 - HB2 LYS 123 - HE3 LYS 61 lone 1 69 - 1 - HB2 LYS 123 - HE2 LYS 61 lone 1 69 - 1 - HG3 PRO 57 - HE2 LYS 61 lone 0 77 - 1 - HG3 PRO 57 - HE3 LYS 61 lone 0 77 - 0 - HB2 LEU 29 - HE3 LYS 61 lone 0 90 - 0 - HB2 LEU 29 - HE2 LYS 61 lone 0 90 - 0 - Peak 3105 from cnoeabs.peaks (1.41, 2.94, 41.80 ppm; 2.74 A): 4 out of 42 assignments used, quality = 0.99: * HG3 LYS 93 + HE3 LYS 93 OK 88 100 - 88 - 3.8=38, 3072/3.0=12...(63) HG3 LYS 93 + HE3 LYS 85 OK 64 96 - 67 - 3065=6, 2.9/3102=4...(42) HG3 LYS 93 + HE3 LYS 48 OK 54 81 - 67 - 3065=5, 3063/3.0=4...(42) HG2 LYS 24 + HE3 LYS 93 OK 51 100 - 51 - 3.0/10909=14...(16) HG3 LYS 93 - HE2 LYS 85 OK 43 65 - 66 - 3065=5, 3065/1.8=4...(47) HG2 LYS 24 - HE2 LYS 61 OK 40 90 - 44 - 10892=11, 1.8/10891=9...(10) HG2 LYS 24 - HE3 LYS 61 OK 39 90 - 44 - 10892/1.8=9, 10892=9...(10) HD2 LYS 114 - HE3 LYS 93 OK 17 94 - 19 - 3789/3.0=3, 3072/3.0=2...(5) HG2 LYS 36 - HE3 LYS 48 OK 16 79 - 20 - 688/3.6=3, 685/4.9=2...(5) HG2 LYS 36 - HE3 LYS 93 OK 13 100 - 13 - 3072/3.0=2, 3083/3.0=1 HG3 LYS 93 - HE2 LYS 61 OK 10 92 - 11 - 10906/10892=2...(3) HG2 LYS 36 - HE3 LYS 85 poor 10 94 - 10 - 688/2.9=1 HG3 LYS 93 - HE3 LYS 61 poor 10 92 - 11 - 10906/10892=2, 10913/11361=2 HG LEU 116 - HE3 LYS 93 poor 10 77 - 13 - 3072/3.0=2, 2.1/10290=1...(4) HG2 LYS 24 - HE3 LYS 48 poor 9 79 - 12 - 1187/3.6=2, 3.0/10909=1 HG2 LYS 24 - HE3 LYS 85 lone 9 94 - 10 - 3.0/10909=2 HG12 ILE 91 - HE3 LYS 93 lone 7 81 - 8 - ~10640=1, 3083/3.0=1 HG2 LYS 36 - HE2 LYS 85 poor 7 64 - 11 - 688/2.9=1 HD2 LYS 114 - HE3 LYS 48 lone 7 71 - 10 - 3790/3.6=2, 3789/3.0=1 HG2 LYS 24 - HE2 LYS 85 lone 5 64 - 8 - HG2 LYS 36 - HE2 LYS 61 lone 4 90 - 5 - HG2 LYS 36 - HE3 LYS 61 lone 4 90 - 4 - HB2 ARG 35 - HE3 LYS 93 lone 4 85 - 4 - HG LEU 116 - HE3 LYS 85 lone 3 70 - 4 - HG12 ILE 91 - HE3 LYS 48 lone 3 59 - 5 - HG LEU 116 - HE3 LYS 48 lone 3 55 - 5 - HD2 LYS 114 - HE2 LYS 61 lone 2 83 - 2 - HD2 LYS 114 - HE3 LYS 61 lone 2 83 - 2 - HD2 LYS 114 - HE3 LYS 85 lone 2 87 - 2 - HG12 ILE 91 - HE3 LYS 61 lone 2 69 - 3 - HG12 ILE 91 - HE3 LYS 85 lone 2 74 - 3 - HG12 ILE 91 - HE2 LYS 61 lone 2 69 - 3 - HG LEU 116 - HE2 LYS 85 lone 2 43 - 4 - HG LEU 116 - HE2 LYS 61 lone 1 65 - 2 - HG LEU 116 - HE3 LYS 61 lone 1 65 - 2 - HD2 LYS 114 - HE2 LYS 85 lone 1 57 - 2 - HG12 ILE 91 - HE2 LYS 85 lone 1 46 - 2 - HB2 ARG 35 - HE3 LYS 48 lone 1 62 - 1 - HB2 ARG 35 - HE2 LYS 61 lone 1 73 - 1 - HB2 ARG 35 - HE3 LYS 85 lone 1 78 - 1 - HB2 ARG 35 - HE3 LYS 61 lone 1 73 - 1 - HB2 ARG 35 - HE2 LYS 85 lone 0 49 - 1 - Peak 3106 from cnoeabs.peaks (1.68, 2.94, 41.80 ppm; 2.50 A): 5 out of 66 assignments used, quality = 0.99: * HD2 LYS 93 + HE3 LYS 93 OK 88 100 - 88 - 3.0=60, 3072/3.8=7...(37) HD3 LYS 48 + HE3 LYS 48 OK 60 76 - 79 - 3.0=60, 1190/3.6=4...(35) HD2 LYS 93 + HE3 LYS 85 OK 55 96 - 58 - 3076=6, 1.8/3087=4...(15) HD3 LYS 48 + HE3 LYS 93 OK 47 98 - 48 - 3084/3.0=3, 3076=3...(21) HD2 LYS 93 + HE3 LYS 48 OK 46 81 - 57 - 3076=5, 3075/1.8=4...(19) HD2 LYS 48 - HE3 LYS 48 OK 44 55 - 79 - 3.0=60, 1190/3.6=4...(35) HD2 LYS 93 - HE2 LYS 85 OK 37 65 - 57 - 3076=5, 3076/1.8=4...(17) HD2 LYS 48 - HE3 LYS 93 OK 35 77 - 46 - 3074/3.0=3, 3084/3.0=2...(19) HD3 LYS 48 - HE3 LYS 85 OK 29 92 - 32 - 3076=2, 1.8/1203=1...(6) HD2 LYS 48 - HE3 LYS 85 OK 21 70 - 31 - 1203=2, 3.0/1192=1...(5) HD3 LYS 48 - HE2 LYS 85 OK 19 61 - 31 - 3076=2, 1.8/1203=2...(6) HG LEU 97 - HE3 LYS 61 OK 14 85 - 17 - 3211/3.0=1, 3211/3.0=1...(4) HG LEU 97 - HE2 LYS 61 OK 14 85 - 17 - 3211/3.0=1, 3211/3.0=1...(4) HD2 LYS 48 - HE2 LYS 85 OK 13 43 - 31 - 1203=2, 3.0/1181=1...(5) HB2 LEU 95 - HE3 LYS 93 OK 11 77 - 14 - 3130/3.0=2, ~3137=1, 3084/3.0=1 HG3 ARG 141 - HE3 LYS 93 OK 10 98 - 10 - HG3 ARG 141 - HE3 LYS 48 poor 9 76 - 12 - 4808/3.6=1, 1179/3.6=1 HG2 ARG 89 - HE3 LYS 93 lone 7 77 - 9 - HD2 LYS 93 - HE2 LYS 61 lone 6 92 - 7 - 10911/11361=2 HD2 LYS 93 - HE3 LYS 61 lone 6 92 - 7 - 10911/11361=2 HG LEU 97 - HE3 LYS 93 lone 5 96 - 5 - HB2 ARG 145 - HE3 LYS 85 lone 4 81 - 5 - HG LEU 26 - HE3 LYS 93 lone 4 81 - 5 - HG LEU 97 - HE3 LYS 48 lone 4 74 - 5 - HB2 ARG 145 - HE2 LYS 85 lone 3 52 - 5 - HG LEU 26 - HE2 LYS 61 lone 2 69 - 3 - HG LEU 26 - HE3 LYS 61 lone 2 69 - 3 - HB2 LEU 95 - HE3 LYS 85 lone 2 70 - 3 - HB2 LEU 95 - HE3 LYS 48 lone 2 55 - 3 - HG3 ARG 141 - HE3 LYS 85 lone 2 92 - 2 - HG LEU 26 - HE3 LYS 85 lone 2 74 - 2 - ~10961=1 HB VAL 71 - HE3 LYS 93 lone 1 77 - 2 - HG2 ARG 89 - HE3 LYS 48 lone 1 55 - 3 - HD3 LYS 48 - HE2 LYS 61 lone 1 87 - 1 - HB2 LEU 95 - HE2 LYS 85 lone 1 43 - 3 - HD3 LYS 48 - HE3 LYS 61 lone 1 87 - 1 - HB2 ARG 145 - HE3 LYS 93 lone 1 89 - 1 - HG3 ARG 141 - HE2 LYS 61 lone 1 87 - 1 - HG3 ARG 141 - HE3 LYS 61 lone 1 87 - 1 - HG2 ARG 124 - HE3 LYS 93 lone 1 62 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 1 66 - 1 - HG2 ARG 124 - HE3 LYS 85 lone 1 56 - 2 - HG LEU 97 - HE3 LYS 85 lone 1 90 - 1 - HG3 ARG 141 - HE2 LYS 85 lone 1 61 - 2 - HG LEU 26 - HE2 LYS 85 lone 1 46 - 2 - ~10961=1 HD2 LYS 48 - HE2 LYS 61 lone 1 65 - 1 - HD2 LYS 48 - HE3 LYS 61 lone 1 65 - 1 - HB VAL 71 - HE3 LYS 61 lone 1 65 - 1 - HB VAL 71 - HE2 LYS 61 lone 1 65 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 70 - 1 - HG2 ARG 124 - HE3 LYS 48 lone 1 43 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 55 - 1 - HG LEU 97 - HE2 LYS 85 lone 1 59 - 1 - HG2 ARG 124 - HE2 LYS 85 lone 1 34 - 2 - HG2 ARG 89 - HE2 LYS 85 lone 0 43 - 1 - HG2 ARG 124 - HE3 LYS 61 lone 0 52 - 1 - HG LEU 26 - HE3 LYS 48 lone 0 59 - 1 - HG2 ARG 124 - HE2 LYS 61 lone 0 52 - 1 - HB VAL 71 - HE3 LYS 85 lone 0 70 - 0 - HB2 LEU 95 - HE2 LYS 61 lone 0 65 - 0 - HB2 LEU 95 - HE3 LYS 61 lone 0 65 - 0 - HG2 ARG 89 - HE2 LYS 61 lone 0 65 - 0 - HG2 ARG 89 - HE3 LYS 61 lone 0 65 - 0 - HB2 ARG 145 - HE3 LYS 61 lone 0 77 - 0 - HB2 ARG 145 - HE2 LYS 61 lone 0 77 - 0 - HB VAL 71 - HE2 LYS 85 lone 0 43 - 0 - Peak 3107 from cnoeabs.peaks (1.65, 2.94, 41.80 ppm; 2.50 A): 3 out of 72 assignments used, quality = 0.97: * HD3 LYS 93 + HE3 LYS 93 OK 86 100 - 86 - 3.0=60, 3086/1.8=6...(35) HD3 LYS 93 + HE3 LYS 85 OK 55 96 - 58 - 3087=7, 1.8/3076=4...(17) HD3 LYS 93 + HE3 LYS 48 OK 46 81 - 57 - 3087=6, 3086/1.8=4...(21) HD3 LYS 93 - HE2 LYS 85 OK 37 65 - 57 - 3087=6, 3087/1.8=4...(19) HD2 LYS 48 - HE3 LYS 48 OK 34 43 - 78 - 3.0=60, 1.8/1203=3...(34) HD2 LYS 48 - HE3 LYS 93 OK 27 62 - 43 - 3074/3.0=2, 1.8/3076=2...(17) HD2 LYS 48 - HE3 LYS 85 OK 17 56 - 30 - 3.0/1192=1, 3.0/1181=1...(4) HG13 ILE 136 - HE3 LYS 93 OK 15 100 - 16 - 3087=1, 3074/3.0=1...(4) HB2 LYS 114 - HE3 LYS 93 OK 15 100 - 15 - 3748/3.8=2, 3074/3.0=1...(4) HD2 LYS 48 - HE2 LYS 85 OK 10 34 - 30 - 3.0/1181=1, 3.0/1192=1...(4) HB2 PRO 57 - HE3 LYS 93 lone 10 100 - 10 - 1517/3.8=1 HB2 LEU 95 - HE3 LYS 93 poor 8 62 - 12 - 3130/3.0=2, ~3137=1 HG2 ARG 140 - HE3 LYS 93 lone 7 99 - 7 - HB2 LYS 114 - HE3 LYS 48 lone 7 81 - 8 - 3745/3.6=2 HD3 LYS 93 - HE2 LYS 61 lone 5 92 - 5 - HD3 LYS 93 - HE3 LYS 61 lone 5 92 - 5 - HG2 ARG 89 - HE3 LYS 93 lone 5 62 - 8 - HG13 ILE 136 - HE3 LYS 48 lone 4 79 - 5 - HB2 PRO 57 - HE3 LYS 85 lone 4 95 - 4 - HB3 LEU 26 - HE3 LYS 93 lone 3 62 - 5 - 3.0/11141=1 HB2 PRO 57 - HE2 LYS 85 lone 3 65 - 4 - HG13 ILE 136 - HE3 LYS 85 lone 2 94 - 2 - HB3 LEU 26 - HE2 LYS 61 lone 2 52 - 4 - HB3 LEU 26 - HE3 LYS 61 lone 2 52 - 4 - HB2 MET 68 - HE3 LYS 48 lone 2 59 - 3 - HB2 LYS 114 - HE3 LYS 85 lone 2 96 - 2 - HB2 MET 68 - HE3 LYS 93 lone 2 81 - 2 - HB2 LEU 95 - HE3 LYS 85 lone 2 56 - 3 - HG13 ILE 136 - HE2 LYS 85 lone 1 64 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 1 70 - 2 - HG2 ARG 124 - HE3 LYS 93 lone 1 77 - 2 - HB2 LEU 95 - HE3 LYS 48 lone 1 43 - 3 - HG2 ARG 140 - HE3 LYS 48 lone 1 78 - 2 - HB2 PRO 57 - HE3 LYS 48 lone 1 80 - 1 - HB3 LEU 26 - HE3 LYS 85 lone 1 56 - 2 - HB2 LYS 114 - HE2 LYS 85 lone 1 65 - 2 - HB VAL 71 - HE3 LYS 93 lone 1 62 - 2 - HG2 ARG 89 - HE3 LYS 48 lone 1 43 - 2 - HB2 LEU 95 - HE2 LYS 85 lone 1 34 - 3 - HG2 ARG 124 - HE3 LYS 48 lone 1 55 - 1 - HG2 ARG 124 - HE2 LYS 85 lone 1 43 - 2 - HG13 ILE 136 - HE2 LYS 61 lone 1 90 - 1 - HG13 ILE 136 - HE3 LYS 61 lone 1 90 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 1 93 - 1 - HB2 LYS 114 - HE2 LYS 61 lone 1 92 - 1 - HB2 LYS 114 - HE3 LYS 61 lone 1 92 - 1 - HB3 LEU 26 - HE2 LYS 85 lone 1 34 - 2 - HD2 LYS 48 - HE2 LYS 61 lone 1 52 - 1 - HD2 LYS 48 - HE3 LYS 61 lone 1 52 - 1 - HB2 PRO 57 - HE2 LYS 61 lone 1 92 - 1 - HB2 PRO 57 - HE3 LYS 61 lone 1 92 - 1 - HB VAL 71 - HE3 LYS 61 lone 1 52 - 1 - HB VAL 71 - HE2 LYS 61 lone 1 52 - 1 - HB VAL 71 - HE3 LYS 48 lone 0 43 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 0 56 - 1 - HB2 MET 68 - HE3 LYS 85 lone 0 74 - 1 - HG2 ARG 124 - HE3 LYS 61 lone 0 65 - 1 - HG2 ARG 124 - HE2 LYS 61 lone 0 65 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 0 63 - 1 - HG2 ARG 140 - HE2 LYS 61 lone 0 89 - 0 - HG2 ARG 140 - HE3 LYS 61 lone 0 89 - 0 - HB2 MET 68 - HE2 LYS 85 lone 0 46 - 1 - HB2 MET 68 - HE3 LYS 61 lone 0 69 - 0 - HB2 MET 68 - HE2 LYS 61 lone 0 69 - 0 - HB VAL 71 - HE3 LYS 85 lone 0 56 - 0 - HG2 ARG 89 - HE2 LYS 85 lone 0 34 - 1 - HB3 LEU 26 - HE3 LYS 48 lone 0 43 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 34 - 0 - HB2 LEU 95 - HE2 LYS 61 lone 0 52 - 0 - HB2 LEU 95 - HE3 LYS 61 lone 0 52 - 0 - HG2 ARG 89 - HE2 LYS 61 lone 0 52 - 0 - HG2 ARG 89 - HE3 LYS 61 lone 0 52 - 0 - Peak 3108 from cnoeabs.peaks (2.95, 2.94, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 85 + HE3 LYS 85 OK 90 90 - 100 HE3 LYS 93 + HE3 LYS 93 OK 85 85 - 100 HE3 LYS 48 + HE3 LYS 48 OK 79 79 - 100 HE2 LYS 85 + HE2 LYS 85 OK 65 65 - 100 HE2 LYS 61 + HE2 LYS 61 OK 52 52 - 100 HE3 LYS 61 + HE3 LYS 61 OK 52 52 - 100 Reference assignment not found: HE2 LYS 93 - HE3 LYS 93 Peak 3109 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 93 + HE3 LYS 93 OK 100 100 - 100 HE3 LYS 85 + HE3 LYS 85 OK 93 93 - 100 HE3 LYS 61 + HE3 LYS 61 OK 87 87 - 100 HE2 LYS 61 + HE2 LYS 61 OK 87 87 - 100 HE3 LYS 48 + HE3 LYS 48 OK 71 71 - 100 HE2 LYS 85 + HE2 LYS 85 OK 52 52 - 100 Peak 3111 from cnoeabs.peaks (7.81, 3.64, 46.49 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 94 + HA2 GLY 94 OK 100 100 - 100 - 3.0=100 H SER 44 - HA2 GLY 94 lone 7 99 - 7 - 3115/1.8=2, 7112/3.5=1 H TYR 27 - HA2 GLY 94 lone 7 92 - 7 - 3115/1.8=2, 7112/3.5=1 H THR 110 - HA2 GLY 94 lone 6 81 - 7 - 3115/1.8=3, 7112/3.5=1 H LEU 26 - HA2 GLY 94 lone 3 62 - 5 - Peak 3112 from cnoeabs.peaks (3.64, 3.64, 46.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 94 + HA2 GLY 94 OK 100 100 - 100 Peak 3113 from cnoeabs.peaks (3.96, 3.64, 46.49 ppm; 3.06 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 94 + HA2 GLY 94 OK 100 100 - 100 - 1.8=100 HA ALA 60 - HA2 GLY 94 OK 26 100 - 26 - 8310=11, 2.1/8312=5...(7) HA LYS 48 - HA2 GLY 94 lone 5 100 - 5 - 7109/3.0=1 HA PHE 106 - HA2 GLY 94 lone 4 100 - 4 - HB3 SER 103 - HA2 GLY 94 lone 3 96 - 3 - HA LEU 29 - HA2 GLY 94 lone 3 62 - 5 - ~10856=2 HD3 PRO 129 - HA2 GLY 94 lone 2 68 - 3 - Peak 3114 from cnoeabs.peaks (7.54, 3.64, 46.49 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 95 + HA2 GLY 94 OK 100 100 - 100 - 3.5=100 H ILE 91 - HA2 GLY 94 OK 45 92 - 48 - 7110/3.0=15, ~9001=15...(8) H TRP 88 - HA2 GLY 94 OK 29 100 - 29 - 11698/1.8=17, 7110/3.0=7...(4) Peak 3115 from cnoeabs.peaks (7.81, 3.96, 46.49 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 94 + HA3 GLY 94 OK 100 100 - 100 - 3.0=100 H THR 110 - HA3 GLY 94 OK 11 81 - 13 - 4.6/3539=2, 4.6/7281=2...(6) H SER 44 - HA3 GLY 94 lone 7 99 - 7 - 3111/1.8=2, 7112/3.5=1 H TYR 27 - HA3 GLY 94 lone 7 92 - 7 - 3111/1.8=2, 7112/3.5=1 H LEU 26 - HA3 GLY 94 lone 3 62 - 5 - Peak 3116 from cnoeabs.peaks (3.64, 3.96, 46.49 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 94 + HA3 GLY 94 OK 100 100 - 100 - 1.8=100 HD3 PRO 12 - HA3 GLY 94 OK 22 89 - 24 - ~58=3, ~106=3, ~98=3...(10) HA THR 92 - HA3 GLY 94 OK 19 62 - 31 - 7108/3.0=5, ~10087=5...(13) Peak 3117 from cnoeabs.peaks (3.96, 3.96, 46.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 94 + HA3 GLY 94 OK 100 100 - 100 Peak 3118 from cnoeabs.peaks (7.54, 3.96, 46.49 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 95 + HA3 GLY 94 OK 100 100 - 100 - 3.5=100 H ILE 91 - HA3 GLY 94 OK 42 92 - 46 - 7110/3.0=14, ~9001=13...(9) H TRP 88 - HA3 GLY 94 OK 32 100 - 32 - 11698=16, 7110/3.0=6...(7) Peak 3119 from cnoeabs.peaks (7.54, 4.27, 54.31 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 95 + HA LEU 95 OK 100 100 - 100 - 3.0=100 H ILE 91 - HA LEU 95 OK 34 92 - 37 - 3135/3.0=6, 3127/3.0=6...(12) H TRP 88 - HA LEU 95 OK 23 100 - 23 - 3135/3.0=4, 3127/3.0=4...(7) Peak 3120 from cnoeabs.peaks (4.27, 4.27, 54.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 95 + HA LEU 95 OK 100 100 - 100 Peak 3121 from cnoeabs.peaks (1.67, 4.27, 54.31 ppm; 3.39 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 95 + HA LEU 95 OK 100 100 - 100 - 3.0=100 HB2 MET 68 - HA LEU 95 OK 39 99 - 40 - 2.9/10942=11, 8430/3.9=7...(12) HD2 LYS 93 - HA LEU 95 OK 38 77 - 49 - 3122=11, 3130/3.0=6...(18) HD3 LYS 93 - HA LEU 95 OK 26 62 - 42 - 1.8/3122=9, ~3130=4...(17) HG2 ARG 124 - HA LEU 95 OK 20 100 - 20 - 11070/3.9=3, 3137/3.0=2...(6) HG2 ARG 140 - HA LEU 95 OK 12 81 - 15 - 4733=2, 1.8/4742=2, 2.9/4724=1 HD2 LYS 48 - HA LEU 95 OK 12 100 - 11 - 3137/3.0=1, 7116/3.0=1 HG13 ILE 136 - HA LEU 95 OK 11 77 - 15 - 2.1/10755=2, 2.3/10329=2...(4) HB VAL 71 - HA LEU 95 OK 11 100 - 11 - 3137/3.0=1 HD3 LYS 48 - HA LEU 95 OK 11 94 - 11 - 3137/3.0=1, 7116/3.0=1 HB2 ARG 145 - HA LEU 95 OK 11 100 - 11 - 3.4/11646=2, 3.4/11646=2 HG2 ARG 89 - HA LEU 95 OK 10 100 - 10 - 7116/3.0=1 HB2 LYS 114 - HA LEU 95 lone 2 62 - 3 - Peak 3122 from cnoeabs.peaks (1.70, 4.27, 54.31 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 95 + HA LEU 95 OK 100 100 - 100 - 3.0=100 HD2 LYS 86 - HA LEU 95 OK 41 100 - 41 - 3130/3.0=7, 3146/4.3=4...(16) HB2 LYS 85 - HA LEU 95 OK 16 100 - 16 - 3130/3.0=2, 7126/3.6=2...(6) HB ILE 58 - HA LEU 95 OK 12 100 - 12 - 3130/3.0=2, 7117/3.0=2...(6) HG LEU 26 - HA LEU 95 lone 6 68 - 9 - 2.1/9063=2 Peak 3123 from cnoeabs.peaks (1.76, 4.27, 54.31 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.97: * HG LEU 95 + HA LEU 95 OK 93 100 - 93 - 4.3=56, 2.1/3125=27...(21) HB ILE 83 + HA LEU 95 OK 58 96 - 61 - 3.0/9061=18, 7118/3.0=8...(16) HB2 PRO 12 - HA LEU 95 OK 32 100 - 32 - 3139/3.0=6, 3131/3.0=6...(10) HB3 ARG 35 - HA LEU 95 lone 5 89 - 6 - 3139/3.0=1, 3131/3.0=1 HG LEU 39 - HA LEU 95 lone 4 68 - 6 - Peak 3124 from cnoeabs.peaks (0.78, 4.27, 54.31 ppm; 2.79 A): 3 out of 4 assignments used, quality = 0.85: * QD2 LEU 95 + HA LEU 95 OK 75 100 - 75 - 3.9=36, 7119/3.0=13...(18) QD1 LEU 79 + HA LEU 95 OK 33 99 - 33 - 3152=7, 3140/3.0=5...(9) QD2 LEU 126 + HA LEU 95 OK 10 72 - 14 - 2.1/10253=4, 3140/3.0=2...(5) QG2 THR 74 - HA LEU 95 lone 10 96 - 10 - 7119/3.0=2, 7128/3.6=2...(4) Peak 3125 from cnoeabs.peaks (0.82, 4.27, 54.31 ppm; 2.89 A): 2 out of 2 assignments used, quality = 0.87: * QD1 LEU 95 + HA LEU 95 OK 79 100 - 79 - 4.0=39, 7120/3.0=14...(18) HG LEU 42 + HA LEU 95 OK 38 100 - 38 - 3141/3.0=8, 3133/3.0=8...(8) Peak 3126 from cnoeabs.peaks (8.08, 4.27, 54.31 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 96 + HA LEU 95 OK 100 100 - 100 - 3.6=100 Peak 3127 from cnoeabs.peaks (7.54, 1.67, 42.25 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.9=100 H ILE 91 + HB2 LEU 95 OK 53 92 - 58 - ~9075=13, 3135/1.8=11...(11) H TRP 88 - HB2 LEU 95 OK 36 100 - 36 - 3135/1.8=8, 3143/3.0=6...(9) Peak 3128 from cnoeabs.peaks (4.27, 1.67, 42.25 ppm; 4.42 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 - HB2 LEU 95 OK 42 92 - 46 - 8708/1.8=15, 8710/3.1=5...(13) HA SER 138 - HB2 LEU 95 OK 40 94 - 43 - 10345/1.8=14, 10468=5...(14) HA ALA 135 - HB2 LEU 95 OK 28 85 - 33 - ~9643=5, ~9643=4...(12) HA2 GLY 50 - HB2 LEU 95 OK 28 89 - 32 - ~11579=15, 3136/1.8=4...(11) HA ARG 49 - HB2 LEU 95 OK 20 100 - 20 - 3136/1.8=4, 7124/4.6=3...(9) HA ARG 140 - HB2 LEU 95 OK 19 98 - 19 - 3136/1.8=2, 3144/3.0=2...(6) HB THR 99 - HB2 LEU 95 OK 16 96 - 16 - 2.1/9154=3, 3136/1.8=2...(8) HA PRO 118 - HB2 LEU 95 OK 12 89 - 13 - ~11414=2, 3136/1.8=1, 3144/3.0=1 Peak 3129 from cnoeabs.peaks (1.67, 1.67, 42.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 95 + HB2 LEU 95 OK 100 100 - 100 Peak 3130 from cnoeabs.peaks (1.70, 1.67, 42.25 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 1.8=100 HD2 LYS 86 + HB2 LEU 95 OK 53 100 - 53 - 3146/3.0=7, 3122/3.0=6...(22) HB2 LYS 85 - HB2 LEU 95 OK 17 100 - 17 - 3122/3.0=2, ~2595=2...(10) HB ILE 58 - HB2 LEU 95 OK 14 100 - 14 - 3146/3.0=2, 3122/3.0=2...(6) HG LEU 26 - HB2 LEU 95 lone 7 68 - 10 - ~9063=1 Peak 3131 from cnoeabs.peaks (1.76, 1.67, 42.25 ppm; 3.66 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.0=100 HB ILE 83 + HB2 LEU 95 OK 74 96 - 77 - 3139/1.8=11, ~9061=10...(37) HB2 PRO 12 + HB2 LEU 95 OK 62 100 - 62 - 3139/1.8=9, 3155/3.1=6...(26) HB3 ARG 35 - HB2 LEU 95 OK 11 89 - 12 - 3139/1.8=2 HG LEU 39 - HB2 LEU 95 lone 7 68 - 10 - Peak 3132 from cnoeabs.peaks (0.78, 1.67, 42.25 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.1=100 QD1 LEU 79 + HB2 LEU 95 OK 64 99 - 65 - 3140/1.8=12, 3148/3.0=10...(24) QD2 LEU 126 - HB2 LEU 95 OK 21 72 - 29 - 3140/1.8=4, ~10253=3...(11) QG2 THR 74 - HB2 LEU 95 OK 18 96 - 19 - 3140/1.8=3, 3124/3.0=3...(6) Peak 3133 from cnoeabs.peaks (0.82, 1.67, 42.25 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.1=100 HG LEU 42 + HB2 LEU 95 OK 76 100 - 76 - 3141/1.8=16, 3149/3.0=13...(22) Peak 3135 from cnoeabs.peaks (7.54, 1.70, 42.25 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.9=100 H ILE 91 + HB3 LEU 95 OK 49 92 - 53 - ~9075=11, 3127/1.8=10...(11) H TRP 88 - HB3 LEU 95 OK 35 100 - 35 - 3127/1.8=7, 3143/3.0=6...(9) Peak 3136 from cnoeabs.peaks (4.27, 1.70, 42.25 ppm; 4.28 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 - HB3 LEU 95 OK 42 92 - 46 - 8708=13, 3128/1.8=6...(13) HA SER 138 - HB3 LEU 95 OK 40 94 - 43 - 10345=17, 10468/1.8=6...(11) HA ARG 49 - HB3 LEU 95 OK 31 100 - 31 - 3.6/11579=16, 3128/1.8=2...(9) HA2 GLY 50 - HB3 LEU 95 OK 28 89 - 32 - 2.9/11579=17, 3128/1.8=3...(11) HA ALA 135 - HB3 LEU 95 OK 25 85 - 29 - ~9643=5, ~9643=4...(12) HA ARG 140 - HB3 LEU 95 OK 17 98 - 18 - 3128/1.8=2, 3144/3.0=2...(5) HB THR 99 - HB3 LEU 95 OK 16 96 - 16 - ~9154=2, 3128/1.8=2...(8) HA PRO 118 - HB3 LEU 95 OK 11 89 - 13 - ~11414=1, 3128/1.8=1, 3144/3.0=1 Peak 3137 from cnoeabs.peaks (1.67, 1.70, 42.25 ppm; 3.37 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 1.8=100 HB2 MET 68 + HB3 LEU 95 OK 51 99 - 52 - 8430/3.1=9, ~10095=6...(26) HD2 LYS 93 + HB3 LEU 95 OK 47 77 - 61 - 3130/1.8=8, 3.0/3062=6...(28) HD3 LYS 93 - HB3 LEU 95 OK 36 62 - 58 - 3.0/3062=6, ~3130=6...(32) HG2 ARG 124 - HB3 LEU 95 OK 27 100 - 28 - 11070/3.1=3, 3145/3.0=2...(12) HD2 LYS 48 - HB3 LEU 95 OK 17 100 - 16 - 3084=1, 3121/3.0=1 HD3 LYS 48 - HB3 LEU 95 OK 15 94 - 16 - 1.8/3084=1, 3121/3.0=1 HB VAL 71 - HB3 LEU 95 OK 14 100 - 14 - 3145/3.0=1, 3121/3.0=1...(4) HG13 ILE 136 - HB3 LEU 95 OK 14 77 - 18 - ~10759=2, ~11135=1...(5) HG2 ARG 89 - HB3 LEU 95 OK 11 100 - 11 - HB2 ARG 145 - HB3 LEU 95 lone 10 100 - 10 - HG2 ARG 140 - HB3 LEU 95 poor 10 81 - 12 - 4733/3.0=1 HB2 LYS 114 - HB3 LEU 95 lone 2 62 - 4 - Peak 3138 from cnoeabs.peaks (1.70, 1.70, 42.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 95 + HB3 LEU 95 OK 100 100 - 100 Peak 3139 from cnoeabs.peaks (1.76, 1.70, 42.25 ppm; 3.67 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.0=100 HB ILE 83 + HB3 LEU 95 OK 74 96 - 77 - 3131/1.8=11, ~9061=10...(37) HB2 PRO 12 + HB3 LEU 95 OK 62 100 - 63 - 3131/1.8=9, 3155/3.1=6...(26) HB3 ARG 35 - HB3 LEU 95 OK 11 89 - 12 - 3131/1.8=2 HG LEU 39 - HB3 LEU 95 lone 6 68 - 8 - Peak 3140 from cnoeabs.peaks (0.78, 1.70, 42.25 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.1=100 QD1 LEU 79 + HB3 LEU 95 OK 65 99 - 65 - 3132/1.8=11, 3148/3.0=10...(24) QD2 LEU 126 - HB3 LEU 95 OK 22 72 - 30 - 3132/1.8=4, ~10257=4...(11) QG2 THR 74 - HB3 LEU 95 OK 17 96 - 18 - 3132/1.8=3, 3124/3.0=3...(7) Peak 3141 from cnoeabs.peaks (0.82, 1.70, 42.25 ppm; 3.52 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.1=100 HG LEU 42 + HB3 LEU 95 OK 76 100 - 76 - 3133/1.8=15, 3149/3.0=13...(22) Peak 3143 from cnoeabs.peaks (7.54, 1.76, 26.21 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 95 + HG LEU 95 OK 94 100 - 94 - 5.2=41, 7120/2.1=29...(18) H ILE 91 + HG LEU 95 OK 46 92 - 50 - ~9075=13, 3151/2.1=9...(12) H TRP 88 - HG LEU 95 OK 29 100 - 29 - 3135/3.0=5, 3151/2.1=5...(9) Peak 3144 from cnoeabs.peaks (4.27, 1.76, 26.21 ppm; 4.15 A): 1 out of 9 assignments used, quality = 0.99: * HA LEU 95 + HG LEU 95 OK 99 100 - 99 - 4.3=92, 3125/2.1=32...(23) HA3 GLY 78 - HG LEU 95 OK 34 92 - 37 - 8708/3.0=11, 8710/2.1=6...(9) HA SER 138 - HG LEU 95 OK 30 94 - 32 - 10345/3.0=10...(10) HA ALA 135 - HG LEU 95 OK 24 85 - 28 - 2.1/9643=8, ~9627=4...(8) HA2 GLY 50 - HG LEU 95 OK 20 89 - 22 - ~11579=10, 3136/3.0=3...(7) HA ARG 140 - HG LEU 95 OK 13 98 - 13 - 3128/3.0=2, 3136/3.0=2...(4) HA ARG 49 - HG LEU 95 OK 12 100 - 12 - 3136/3.0=3, 3128/3.0=2...(5) HB THR 99 - HG LEU 95 OK 11 96 - 11 - 3128/3.0=2, 3160/2.1=2...(6) HA PRO 118 - HG LEU 95 lone 8 89 - 9 - 3128/3.0=1, 3136/3.0=1 Peak 3145 from cnoeabs.peaks (1.67, 1.76, 26.21 ppm; 3.17 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 95 + HG LEU 95 OK 100 100 - 100 - 3.0=100 HB2 MET 68 + HG LEU 95 OK 46 99 - 47 - 8430/2.1=11, ~10095=7...(17) HD2 LYS 93 - HG LEU 95 OK 33 77 - 43 - 3154/2.1=5, 3130/3.0=5...(17) HG2 ARG 124 - HG LEU 95 OK 24 100 - 24 - 11070/2.1=4, 3161/2.1=2...(9) HD3 LYS 93 - HG LEU 95 OK 23 62 - 37 - 1.8/3146=5, ~3130=3...(16) HB VAL 71 - HG LEU 95 OK 13 100 - 13 - ~8516=1, ~8496=1...(5) HG13 ILE 136 - HG LEU 95 OK 10 77 - 13 - 2.1/10759=3 HD2 LYS 48 - HG LEU 95 lone 10 100 - 10 - 3137/3.0=1 HD3 LYS 48 - HG LEU 95 lone 9 94 - 10 - 3137/3.0=1 HG2 ARG 89 - HG LEU 95 lone 8 100 - 8 - HG2 ARG 140 - HG LEU 95 lone 7 81 - 8 - HB2 ARG 145 - HG LEU 95 lone 6 100 - 6 - HB2 LYS 114 - HG LEU 95 lone 2 62 - 3 - Peak 3146 from cnoeabs.peaks (1.70, 1.76, 26.21 ppm; 3.22 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 95 + HG LEU 95 OK 100 100 - 100 - 3.0=100 HD2 LYS 86 - HG LEU 95 OK 44 100 - 44 - 3154/2.1=7, 3130/3.0=7...(20) HB2 LYS 85 - HG LEU 95 OK 13 100 - 13 - 3130/3.0=2, 3154/2.1=2...(5) HB ILE 58 - HG LEU 95 OK 13 100 - 12 - 3130/3.0=2, 3162/2.1=2...(5) HG LEU 26 - HG LEU 95 lone 5 68 - 7 - Peak 3147 from cnoeabs.peaks (1.76, 1.76, 26.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 95 + HG LEU 95 OK 100 100 - 100 Peak 3148 from cnoeabs.peaks (0.78, 1.76, 26.21 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 95 + HG LEU 95 OK 100 100 - 100 - 2.1=100 QD1 LEU 79 + HG LEU 95 OK 50 99 - 51 - 3155=7, 3157/2.1=7...(22) QG2 THR 74 - HG LEU 95 OK 12 96 - 12 - 4.3/11680=2, 3132/3.0=2...(5) QD2 LEU 126 - HG LEU 95 OK 12 72 - 16 - 3140/3.0=2, 3132/3.0=2...(6) Peak 3149 from cnoeabs.peaks (0.82, 1.76, 26.21 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + HG LEU 95 OK 100 100 - 100 - 2.1=100 HG LEU 42 + HG LEU 95 OK 67 100 - 67 - 3157/2.1=10, 3163=10...(22) Peak 3151 from cnoeabs.peaks (7.54, 0.78, 22.75 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.95: * H LEU 95 + QD2 LEU 95 OK 89 100 - 89 - 4.9=33, 7120/2.1=25...(20) H ILE 91 + QD2 LEU 95 OK 52 92 - 57 - 2.9/9075=20, 3143/2.1=7...(14) H LEU 95 - QD1 LEU 79 OK 37 86 - 43 - 7119=12, 3.0/3124=8...(10) H TRP 88 - QD2 LEU 95 OK 29 100 - 29 - 3143/2.1=5, 3135/3.1=4...(8) H ILE 91 - QD1 LEU 79 OK 18 74 - 25 - 2.9/9075=7, 3.6/8957=4...(7) H TRP 88 - QD1 LEU 79 OK 17 86 - 20 - 3.0/8932=3, 7012/2.1=3...(5) Peak 3152 from cnoeabs.peaks (4.27, 0.78, 22.75 ppm; 2.73 A): 7 out of 18 assignments used, quality = 0.94: * HA LEU 95 + QD2 LEU 95 OK 77 100 - 77 - 3.9=34, 3125/2.1=18...(19) HA LEU 95 + QD1 LEU 79 OK 31 86 - 36 - 3124=12, 3.0/3140=5...(9) HA3 GLY 78 + QD2 LEU 95 OK 20 92 - 22 - 3152=4, 8708/3.1=4...(8) HA SER 138 + QD2 LEU 95 OK 18 94 - 19 - 10345/3.1=4, 3152=4...(6) HA3 GLY 78 + QD1 LEU 79 OK 17 74 - 23 - 8711/2.1=5, 3.6/6851=5...(6) HA ALA 135 + QD1 LEU 79 OK 15 68 - 22 - ~9631=7, 2.1/9627=5...(6) HA ALA 135 + QD2 LEU 95 OK 14 85 - 16 - 2.1/9627=3, 3152=2...(7) HA ARG 49 - QD2 LEU 95 lone 8 100 - 8 - 3152=1, 3136/3.1=1 HA SER 138 - QD1 LEU 79 lone 7 77 - 9 - 3.6/9937=2, 3152=2 HA ARG 140 - QD2 LEU 95 lone 6 98 - 6 - HA2 GLY 50 - QD2 LEU 95 lone 6 89 - 6 - 3144/2.1=1, 3136/3.1=1 HB THR 99 - QD2 LEU 95 lone 6 96 - 6 - 3152=1 HA PRO 118 - QD2 LEU 95 lone 4 89 - 4 - HA ARG 49 - QD1 LEU 79 lone 4 86 - 4 - HA ARG 140 - QD1 LEU 79 lone 2 82 - 3 - HA PRO 118 - QD1 LEU 79 lone 1 71 - 2 - HB THR 99 - QD1 LEU 79 lone 1 79 - 2 - HA2 GLY 50 - QD1 LEU 79 lone 1 71 - 2 - Peak 3153 from cnoeabs.peaks (1.67, 0.78, 22.75 ppm; 2.67 A): 3 out of 26 assignments used, quality = 0.95: * HB2 LEU 95 + QD2 LEU 95 OK 84 100 - 84 - 3.1=61, 1.8/3154=14...(18) HB2 MET 68 + QD2 LEU 95 OK 45 99 - 46 - 2.9/10095=10, 8430=9...(12) HG2 ARG 124 + QD1 LEU 79 OK 41 85 - 49 - 11070=7, ~9478=6...(24) HB2 LEU 95 - QD1 LEU 79 OK 36 86 - 42 - 3132=6, 1.8/3140=6...(14) HD2 LYS 93 - QD2 LEU 95 OK 27 77 - 35 - 3154=7, 3162/2.1=3...(10) HB2 MET 68 - QD1 LEU 79 OK 22 83 - 26 - 8430=6, 2.9/10095=5...(6) HG2 ARG 124 - QD2 LEU 95 OK 20 100 - 20 - 11070=3, 3145/2.1=2...(9) HD3 LYS 93 - QD2 LEU 95 OK 19 62 - 30 - 1.8/3154=5, 3153=3...(12) HB VAL 71 - QD2 LEU 95 OK 13 100 - 13 - 3.0/8496=2, 3153=2, 2.1/8516=1 HB VAL 71 - QD1 LEU 79 OK 10 86 - 12 - 10593/2.1=4, 3.0/8496=2...(4) HD2 LYS 48 - QD2 LEU 95 lone 9 100 - 9 - 3153=1 HG13 ILE 136 - QD2 LEU 95 poor 9 77 - 12 - ~10759=1, 3153=1 HD3 LYS 48 - QD2 LEU 95 lone 9 94 - 9 - 3153=1 HG2 ARG 89 - QD2 LEU 95 lone 6 100 - 6 - HB2 ARG 145 - QD2 LEU 95 lone 6 100 - 6 - HG2 ARG 140 - QD2 LEU 95 lone 5 81 - 6 - HD2 LYS 93 - QD1 LEU 79 lone 4 60 - 7 - 3154=1 HB2 ARG 145 - QD1 LEU 79 lone 4 85 - 4 - HD2 LYS 48 - QD1 LEU 79 lone 3 86 - 3 - HG2 ARG 140 - QD1 LEU 79 lone 3 64 - 4 - HD3 LYS 93 - QD1 LEU 79 lone 2 47 - 5 - HD3 LYS 48 - QD1 LEU 79 lone 2 77 - 3 - HG13 ILE 136 - QD1 LEU 79 lone 2 60 - 4 - HG2 ARG 89 - QD1 LEU 79 lone 2 86 - 2 - HB2 LYS 114 - QD2 LEU 95 lone 2 62 - 3 - HB2 LYS 114 - QD1 LEU 79 lone 2 47 - 3 - Peak 3154 from cnoeabs.peaks (1.70, 0.78, 22.75 ppm; 2.68 A): 3 out of 10 assignments used, quality = 0.93: * HB3 LEU 95 + QD2 LEU 95 OK 83 100 - 83 - 3.1=62, 3.0/3124=12...(18) HB3 LEU 95 + QD1 LEU 79 OK 37 86 - 43 - 3154=9, 1.8/3132=6...(14) HD2 LYS 86 + QD2 LEU 95 OK 36 100 - 37 - 3154=9, 3146/2.1=6...(12) HB2 LYS 85 - QD2 LEU 95 lone 10 100 - 10 - 3146/2.1=2, 3130/3.1=1...(4) HB ILE 58 - QD2 LEU 95 lone 9 100 - 9 - 3146/2.1=2, 3162/2.1=1 HB2 LYS 85 - QD1 LEU 79 lone 8 85 - 9 - 2585/2.1=3, ~2597=2 HD2 LYS 86 - QD1 LEU 79 lone 5 85 - 6 - 3154=1 HG LEU 26 - QD2 LEU 95 lone 4 68 - 6 - 3154=1 HB ILE 58 - QD1 LEU 79 lone 2 85 - 3 - HG LEU 26 - QD1 LEU 79 lone 1 52 - 1 - Peak 3155 from cnoeabs.peaks (1.76, 0.78, 22.75 ppm; 2.64 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 95 + QD2 LEU 95 OK 100 100 - 100 - 2.1=100 HB ILE 83 + QD2 LEU 95 OK 45 96 - 47 - 3.0/9075=9, 3131/3.1=4...(22) HB2 PRO 12 - QD2 LEU 95 OK 45 100 - 45 - 3155=7, 3.0/8732=6...(22) HG LEU 95 - QD1 LEU 79 OK 39 86 - 45 - 3148=11, 2.1/3157=6...(19) HB ILE 83 - QD1 LEU 79 OK 28 79 - 35 - 3.0/9075=6, 8736/2.1=3...(17) HB3 ARG 35 - QD1 LEU 79 poor 8 71 - 11 - ~8737=3, ~8737=2, 3155=1...(7) HB3 ARG 35 - QD2 LEU 95 lone 7 89 - 8 - 3155=1 HB2 PRO 12 - QD1 LEU 79 lone 6 86 - 7 - 3155=1, 3.0/8732=1 HG LEU 39 - QD2 LEU 95 lone 3 68 - 5 - HG LEU 39 - QD1 LEU 79 lone 1 52 - 2 - Peak 3156 from cnoeabs.peaks (0.78, 0.78, 22.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 95 + QD2 LEU 95 OK 100 100 - 100 QD1 LEU 79 + QD1 LEU 79 OK 83 83 - 100 Peak 3157 from cnoeabs.peaks (0.82, 0.78, 22.75 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 95 + QD2 LEU 95 OK 100 100 - 100 - 2.1=100 HG LEU 42 + QD2 LEU 95 OK 53 100 - 53 - 3157=13, 3149/2.1=8...(19) QD1 LEU 95 - QD1 LEU 79 OK 36 86 - 42 - 3157=10, 2.1/3148=6...(16) HG LEU 42 - QD1 LEU 79 lone 7 86 - 8 - 3164=2, ~11003=1 Peak 3159 from cnoeabs.peaks (7.54, 0.82, 26.88 ppm; 3.85 A): 3 out of 6 assignments used, quality = 0.99: * H LEU 95 + QD1 LEU 95 OK 95 100 - 95 - 4.8=52, 7119/2.1=27...(19) H LEU 95 + HG LEU 42 OK 57 99 - 57 - 7120=16, 3.0/3125=12...(10) H ILE 91 + QD1 LEU 95 OK 49 92 - 53 - ~9075=13, 3143/2.1=9...(15) H TRP 88 - QD1 LEU 95 OK 32 100 - 32 - 3143/2.1=6, 3135/3.1=5...(9) H ILE 91 - HG LEU 42 OK 27 89 - 31 - 7059/2.1=6, 4.5/944=4...(11) H TRP 88 - HG LEU 42 OK 17 99 - 17 - ~8157=3, ~8930=2...(4) Peak 3160 from cnoeabs.peaks (4.27, 0.82, 26.88 ppm; 3.90 A): 2 out of 18 assignments used, quality = 1.00: * HA LEU 95 + QD1 LEU 95 OK 99 100 - 99 - 4.0=95, 3124/2.1=27...(20) HA LEU 95 + HG LEU 42 OK 62 99 - 63 - 3125=16, 3.0/3141=14...(8) HA SER 138 - QD1 LEU 95 OK 30 94 - 32 - 10345/3.1=9, 3144/2.1=4...(9) HA3 GLY 78 - QD1 LEU 95 OK 30 92 - 32 - 8708/3.1=10, 8710/2.1=5...(8) HA ALA 135 - QD1 LEU 95 OK 27 85 - 31 - ~9643=5, ~9643=4...(11) HA2 GLY 50 - QD1 LEU 95 OK 19 89 - 21 - ~11579=9, 3144/2.1=3...(7) HA ARG 49 - QD1 LEU 95 OK 15 100 - 15 - 3136/3.1=3, 3.6/10118=2...(6) HB THR 99 - QD1 LEU 95 OK 13 96 - 13 - 10162/9074=2, 3128/3.1=1...(7) HA ARG 140 - QD1 LEU 95 OK 12 98 - 12 - 3144/2.1=2, 3128/3.1=2...(5) HB THR 99 - HG LEU 42 poor 10 94 - 10 - ~10124=4, 10162/9074=1, ~9155=1 HA PRO 118 - HG LEU 42 poor 9 86 - 11 - ~8147=4, ~8147=3...(4) HA SER 138 - HG LEU 42 lone 9 91 - 10 - 10345/3141=2, ~9723=1 HA PRO 118 - QD1 LEU 95 lone 8 89 - 9 - 2.3/9071=1, 3144/2.1=1 HA ALA 135 - HG LEU 42 lone 8 82 - 9 - 10445/8849=2, ~10739=1 HA ARG 49 - HG LEU 42 lone 5 99 - 5 - HA3 GLY 78 - HG LEU 42 lone 5 89 - 6 - 8708/3141=2 HA2 GLY 50 - HG LEU 42 lone 3 86 - 4 - HA ARG 140 - HG LEU 42 lone 3 95 - 3 - Peak 3161 from cnoeabs.peaks (1.67, 0.82, 26.88 ppm; 3.10 A): 3 out of 26 assignments used, quality = 1.00: * HB2 LEU 95 + QD1 LEU 95 OK 100 100 - 100 - 3.1=100 HB2 LEU 95 + HG LEU 42 OK 67 99 - 68 - 3133=14, 1.8/3141=12...(22) HB2 MET 68 + QD1 LEU 95 OK 47 99 - 48 - 8430/2.1=11, ~10095=7...(15) HD2 LYS 93 - QD1 LEU 95 OK 32 77 - 42 - 3162=7, 3154/2.1=5...(16) HG2 ARG 124 - QD1 LEU 95 OK 24 100 - 24 - 11070/2.1=4, 3145/2.1=3...(10) HD3 LYS 93 - QD1 LEU 95 OK 23 62 - 37 - 1.8/3162=5, ~3154=3...(15) HB VAL 71 - QD1 LEU 95 OK 13 100 - 13 - 3145/2.1=1, ~8516=1...(5) HG13 ILE 136 - QD1 LEU 95 OK 11 77 - 14 - ~10759=2, 1.8/10116=2...(5) HD2 LYS 48 - QD1 LEU 95 OK 10 100 - 10 - 3145/2.1=1, 3137/3.1=1 HB2 MET 68 - HG LEU 42 lone 10 97 - 10 - 1966/5.1=3, 4.4/938=2 HD3 LYS 48 - QD1 LEU 95 lone 9 94 - 10 - HG2 ARG 89 - QD1 LEU 95 lone 8 100 - 8 - HB2 ARG 145 - QD1 LEU 95 lone 7 100 - 7 - HG2 ARG 140 - QD1 LEU 95 lone 6 81 - 8 - HG13 ILE 136 - HG LEU 42 lone 6 74 - 8 - HD2 LYS 93 - HG LEU 42 lone 5 74 - 7 - 3162=1 HB2 ARG 145 - HG LEU 42 lone 5 98 - 5 - ~8150=1 HG2 ARG 124 - HG LEU 42 lone 4 98 - 4 - HB2 LYS 114 - HG LEU 42 lone 3 59 - 6 - ~8145=2, ~8154=2 HD2 LYS 48 - HG LEU 42 lone 3 99 - 3 - HD3 LYS 48 - HG LEU 42 lone 3 91 - 3 - HG2 ARG 89 - HG LEU 42 lone 3 99 - 3 - HD3 LYS 93 - HG LEU 42 lone 3 59 - 5 - HB VAL 71 - HG LEU 42 lone 3 99 - 3 - HG2 ARG 140 - HG LEU 42 lone 2 78 - 3 - HB2 LYS 114 - QD1 LEU 95 lone 2 62 - 3 - Peak 3162 from cnoeabs.peaks (1.70, 0.82, 26.88 ppm; 3.03 A): 2 out of 10 assignments used, quality = 0.99: * HB3 LEU 95 + QD1 LEU 95 OK 98 100 - 98 - 3.1=95, 3.0/3125=17...(18) HB3 LEU 95 + HG LEU 42 OK 65 99 - 66 - 3141=14, 1.8/3133=11...(22) HD2 LYS 86 - QD1 LEU 95 OK 42 100 - 42 - 3146/2.1=7, 3154/2.1=7...(18) HB ILE 58 - HG LEU 42 OK 27 98 - 28 - 1559/2.1=6, 2.9/10117=4...(12) HB ILE 58 - QD1 LEU 95 OK 15 100 - 15 - 3146/2.1=2, 3154/2.1=2...(7) HB2 LYS 85 - QD1 LEU 95 OK 13 100 - 12 - 3146/2.1=2, 3130/3.1=2...(5) HD2 LYS 86 - HG LEU 42 lone 6 98 - 6 - 3146/3149=1, 3130/3133=1 HG LEU 26 - HG LEU 42 lone 5 64 - 8 - ~10573=6 HG LEU 26 - QD1 LEU 95 lone 5 68 - 7 - HB2 LYS 85 - HG LEU 42 lone 3 98 - 3 - Peak 3163 from cnoeabs.peaks (1.76, 0.82, 26.88 ppm; 3.07 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 95 + QD1 LEU 95 OK 100 100 - 100 - 2.1=100 HG LEU 95 + HG LEU 42 OK 70 99 - 71 - 3149=20, 2.1/3157=10...(22) HB ILE 83 + QD1 LEU 95 OK 57 96 - 59 - 3.0/9067=7, 2.1/941=6...(29) HB2 PRO 12 + QD1 LEU 95 OK 55 100 - 55 - 3155/2.1=6, 3139/3.1=5...(24) HB ILE 83 - HG LEU 42 OK 40 94 - 43 - 10016/2.1=8, 3.0/9067=5...(17) HG LEU 39 - HG LEU 42 OK 14 64 - 22 - ~8122=12, ~8156=5...(4) HB3 ARG 35 - QD1 LEU 95 lone 9 89 - 9 - HB2 PRO 12 - HG LEU 42 lone 6 99 - 6 - HG LEU 39 - QD1 LEU 95 lone 5 68 - 7 - HB3 ARG 35 - HG LEU 42 lone 2 86 - 2 - Peak 3164 from cnoeabs.peaks (0.78, 0.82, 26.88 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 95 + QD1 LEU 95 OK 100 100 - 100 - 2.1=100 QD2 LEU 95 + HG LEU 42 OK 52 99 - 53 - 3157=13, 2.1/3149=8...(19) QD1 LEU 79 - QD1 LEU 95 OK 42 99 - 43 - 3157=10, 3148/2.1=6...(16) QD1 LEU 79 - HG LEU 42 lone 9 97 - 9 - 3157=2, ~11003=1 QD2 LEU 126 - QD1 LEU 95 poor 8 72 - 11 - 3148/2.1=2, 3140/3.1=1 QG2 THR 74 - QD1 LEU 95 lone 8 96 - 8 - 3148/2.1=2, 3132/3.1=1 QD2 LEU 126 - HG LEU 42 lone 2 69 - 3 - ~8156=2 QG2 THR 74 - HG LEU 42 lone 2 94 - 2 - Peak 3165 from cnoeabs.peaks (0.82, 0.82, 26.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + QD1 LEU 95 OK 100 100 - 100 HG LEU 42 + HG LEU 42 OK 99 99 - 100 Peak 3167 from cnoeabs.peaks (8.08, 4.38, 53.73 ppm; 2.76 A): 1 out of 1 assignment used, quality = 0.94: * H ASN 96 + HA ASN 96 OK 94 100 - 94 - 3.0=81, 3174/3.0=19...(15) Peak 3168 from cnoeabs.peaks (4.38, 4.38, 53.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 96 + HA ASN 96 OK 100 100 - 100 Peak 3169 from cnoeabs.peaks (2.74, 4.38, 53.73 ppm; 3.08 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASN 96 + HA ASN 96 OK 100 100 - 100 - 3.0=100 HB3 TYR 70 - HA ASN 96 OK 11 89 - 13 - 2.6/4697=6, 7131/3.0=2 HG3 MET 113 - HA ASN 96 poor 8 81 - 10 - 3183/3.0=2, 7131/3.0=1 HB3 PHE 43 - HA ASN 96 lone 5 92 - 6 - HB3 ASP 137 - HA ASN 96 lone 5 92 - 5 - 7151/3.6=1 HB2 PHE 38 - HA ASN 96 lone 2 89 - 2 - HB2 ASN 54 - HA ASN 96 lone 1 77 - 2 - HB3 GLU 120 - HA ASN 96 lone 1 77 - 1 - HB3 ASP 40 - HA ASN 96 lone 1 57 - 1 - Peak 3170 from cnoeabs.peaks (3.11, 4.38, 53.73 ppm; 2.98 A): 1 out of 8 assignments used, quality = 0.99: * HB3 ASN 96 + HA ASN 96 OK 99 100 - 99 - 3.0=97, 1.8/3175=32...(15) HD2 ARG 145 - HA ASN 96 OK 10 98 - 10 - 7132/3.0=2, 3177/3.0=2 HD3 ARG 145 - HA ASN 96 poor 10 96 - 10 - 7132/3.0=2, 3177/3.0=2 HA LEU 79 - HA ASN 96 poor 8 72 - 11 - 4.0/9083=5, 7152/3.6=1 HA ALA 105 - HA ASN 96 lone 7 100 - 7 - 7152/3.6=2, 9126/11427=2...(4) HD2 ARG 109 - HA ASN 96 lone 6 100 - 6 - 7132/3.0=1, 7152/3.6=1 HB3 PHE 106 - HA ASN 96 lone 2 77 - 3 - HB3 HIS 10 - HA ASN 96 lone 1 81 - 1 - Peak 3172 from cnoeabs.peaks (7.60, 4.38, 53.73 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.91: * HD22 ASN 96 + HA ASN 96 OK 91 100 - 91 - 4.4=59, 3179/3.0=34...(6) Peak 3173 from cnoeabs.peaks (7.65, 4.38, 53.73 ppm; 3.25 A): 2 out of 5 assignments used, quality = 0.92: * H LEU 97 + HA ASN 96 OK 90 100 - 90 - 3.6=75, 7149/3.0=28...(9) H GLY 50 + HA ASN 96 OK 20 100 - 20 - 3187/3.0=5, 3180/3.0=5...(6) H LEU 66 - HA ASN 96 lone 3 72 - 4 - HD21 ASN 130 - HA ASN 96 lone 2 85 - 3 - H GLU 122 - HA ASN 96 lone 1 62 - 2 - Peak 3174 from cnoeabs.peaks (8.08, 2.74, 37.09 ppm; 3.12 A): 1 out of 1 assignment used, quality = 0.92: * H ASN 96 + HB2 ASN 96 OK 92 100 - 92 - 3.9=49, 3181/1.8=34...(14) Peak 3175 from cnoeabs.peaks (4.38, 2.74, 37.09 ppm; 2.84 A): 1 out of 5 assignments used, quality = 0.96: * HA ASN 96 + HB2 ASN 96 OK 96 100 - 96 - 3.0=84, 3182/1.8=31...(15) HB THR 18 - HB2 ASN 96 lone 3 94 - 3 - HB THR 51 - HB2 ASN 96 lone 3 72 - 4 - HA ASP 30 - HB2 ASN 96 lone 2 77 - 3 - HA ARG 144 - HB2 ASN 96 lone 2 62 - 3 - 3182/1.8=1 Peak 3176 from cnoeabs.peaks (2.74, 2.74, 37.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 96 + HB2 ASN 96 OK 100 100 - 100 Peak 3177 from cnoeabs.peaks (3.11, 2.74, 37.09 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASN 96 + HB2 ASN 96 OK 100 100 - 100 - 1.8=100 HD2 ARG 145 - HB2 ASN 96 lone 7 98 - 7 - 3170/3.0=1 HD3 ARG 145 - HB2 ASN 96 lone 7 96 - 7 - 3170/3.0=1 HA ALA 105 - HB2 ASN 96 lone 5 100 - 5 - 9126/9081=1 HA LEU 79 - HB2 ASN 96 lone 4 72 - 6 - 4.0/10121=2 HD2 ARG 109 - HB2 ASN 96 lone 4 100 - 4 - HB3 PHE 106 - HB2 ASN 96 lone 2 77 - 2 - HB3 HIS 10 - HB2 ASN 96 lone 1 81 - 1 - Peak 3178 from cnoeabs.peaks (6.80, 2.74, 37.09 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 96 + HB2 ASN 96 OK 100 100 - 100 - 3.5=100 H LYS 76 - HB2 ASN 96 lone 3 72 - 4 - HE21 GLN 133 - HB2 ASN 96 lone 2 99 - 2 - Peak 3179 from cnoeabs.peaks (7.60, 2.74, 37.09 ppm; 3.01 A): 1 out of 1 assignment used, quality = 0.89: * HD22 ASN 96 + HB2 ASN 96 OK 89 100 - 89 - 3.5=63, 3186/1.8=34...(6) Peak 3180 from cnoeabs.peaks (7.65, 2.74, 37.09 ppm; 3.28 A): 2 out of 5 assignments used, quality = 0.80: * H LEU 97 + HB2 ASN 96 OK 76 100 - 76 - 4.7=35, 3187/1.8=25...(8) H GLY 50 + HB2 ASN 96 OK 20 100 - 20 - 3187/1.8=7, 3173/3.0=4...(5) H LEU 66 - HB2 ASN 96 lone 3 72 - 4 - HD21 ASN 130 - HB2 ASN 96 lone 3 85 - 3 - H GLU 122 - HB2 ASN 96 lone 2 62 - 2 - Peak 3181 from cnoeabs.peaks (8.08, 3.11, 37.09 ppm; 3.15 A): 1 out of 1 assignment used, quality = 0.91: * H ASN 96 + HB3 ASN 96 OK 91 100 - 91 - 3.9=51, 3174/1.8=35...(12) Peak 3182 from cnoeabs.peaks (4.38, 3.11, 37.09 ppm; 2.80 A): 1 out of 5 assignments used, quality = 0.95: * HA ASN 96 + HB3 ASN 96 OK 95 100 - 95 - 3.0=81, 3175/1.8=29...(15) HB THR 51 - HB3 ASN 96 lone 3 72 - 4 - HB THR 18 - HB3 ASN 96 lone 3 94 - 3 - HA ASP 30 - HB3 ASN 96 lone 2 77 - 3 - HA ARG 144 - HB3 ASN 96 lone 2 62 - 3 - Peak 3183 from cnoeabs.peaks (2.74, 3.11, 37.09 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASN 96 + HB3 ASN 96 OK 100 100 - 100 - 1.8=100 HG3 MET 113 - HB3 ASN 96 lone 6 81 - 7 - 3169/3.0=1 HB3 TYR 70 - HB3 ASN 96 lone 6 89 - 6 - ~4697=2, 3169/3.0=1 HB3 PHE 43 - HB3 ASN 96 lone 3 92 - 3 - HB3 ASP 137 - HB3 ASN 96 lone 3 92 - 3 - HB2 PHE 38 - HB3 ASN 96 lone 1 89 - 1 - HB2 ASN 54 - HB3 ASN 96 lone 1 77 - 1 - HB3 GLU 120 - HB3 ASN 96 lone 1 77 - 1 - HB3 ASP 40 - HB3 ASN 96 lone 0 57 - 1 - Peak 3184 from cnoeabs.peaks (3.11, 3.11, 37.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 96 + HB3 ASN 96 OK 100 100 - 100 Peak 3185 from cnoeabs.peaks (6.80, 3.11, 37.09 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 96 + HB3 ASN 96 OK 100 100 - 100 - 3.5=100 H LYS 76 - HB3 ASN 96 lone 3 72 - 4 - 3178/1.8=1, 8552/8570=1 HE21 GLN 133 - HB3 ASN 96 lone 2 99 - 2 - Peak 3186 from cnoeabs.peaks (7.60, 3.11, 37.09 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.89: * HD22 ASN 96 + HB3 ASN 96 OK 89 100 - 90 - 3.5=64, 3179/1.8=34...(6) Peak 3187 from cnoeabs.peaks (7.65, 3.11, 37.09 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.81: * H LEU 97 + HB3 ASN 96 OK 76 100 - 76 - 4.7=35, 3180/1.8=26...(9) H GLY 50 + HB3 ASN 96 OK 21 100 - 21 - 3180/1.8=7, 3173/3.0=4...(6) H LEU 66 - HB3 ASN 96 lone 3 72 - 4 - HD21 ASN 130 - HB3 ASN 96 lone 2 85 - 3 - H GLU 122 - HB3 ASN 96 lone 2 62 - 3 - Peak 3188 from cnoeabs.peaks (7.65, 4.55, 52.55 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 97 + HA LEU 97 OK 100 100 - 100 - 2.9=100 H GLY 50 - HA LEU 97 OK 42 100 - 43 - 3195/3.0=9, 3202/3.0=8...(12) HD21 ASN 130 - HA LEU 97 OK 12 85 - 14 - 3202/3.0=2, 3195/3.0=2...(8) H LEU 66 - HA LEU 97 lone 7 72 - 9 - 3223/3.7=2, 3202/3.0=1...(4) H GLU 122 - HA LEU 97 lone 2 62 - 3 - Peak 3189 from cnoeabs.peaks (4.55, 4.55, 52.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 97 + HA LEU 97 OK 100 100 - 100 Peak 3190 from cnoeabs.peaks (1.60, 4.55, 52.55 ppm; 3.80 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 97 + HA LEU 97 OK 100 100 - 100 - 3.0=100 HG2 ARG 141 + HA LEU 97 OK 58 100 - 58 - 1.8/3192=7, 3204/3.0=6...(20) HD2 LYS 61 - HA LEU 97 OK 40 77 - 53 - 3.0/3191=5, 3.0/3191=5...(30) HD3 LYS 61 - HA LEU 97 OK 40 77 - 52 - 3.0/3191=5, 3.0/3191=5...(30) HG3 ARG 49 - HA LEU 97 OK 39 89 - 44 - ~11422=7, 9802/3.8=6...(20) HB3 LEU 64 - HA LEU 97 OK 33 81 - 40 - 3.2/3193=6, 9134/3.8=4...(19) HG3 LYS 48 - HA LEU 97 OK 19 99 - 19 - 3204/3.0=2, 3225/3.7=2...(7) HG LEU 108 - HA LEU 97 OK 17 100 - 17 - 3204/3.0=1, 10404/1634=1...(10) HB2 LEU 79 - HA LEU 97 OK 14 85 - 16 - ~11419=4, 7156/2.9=1...(4) HB2 LEU 87 - HA LEU 97 OK 13 85 - 15 - 9134/3.8=3, 7156/2.9=1 HG2 ARG 144 - HA LEU 97 OK 12 100 - 12 - 3204/3.0=1, 7156/2.9=1 HG3 ARG 144 - HA LEU 97 poor 10 81 - 12 - 3204/3.0=1 HG3 LYS 36 - HA LEU 97 lone 2 77 - 3 - Peak 3191 from cnoeabs.peaks (1.26, 4.55, 52.55 ppm; 3.76 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + HA LEU 97 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HA LEU 97 OK 66 100 - 67 - 3198/3.0=6, 3226/3.7=5...(39) QG2 THR 99 + HA LEU 97 OK 65 100 - 65 - 9156=21, 2.1/9159=11...(17) HG2 LYS 61 + HA LEU 97 OK 62 92 - 68 - 3198/3.0=6, 9132/3.8=5...(39) HB2 LEU 132 - HA LEU 97 OK 31 99 - 32 - 9593/3.7=4, 3198/3.0=3...(16) QG2 THR 102 - HA LEU 97 OK 31 81 - 38 - 9191/3.7=5, ~3376=4...(14) Peak 3192 from cnoeabs.peaks (1.68, 4.55, 52.55 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + HA LEU 97 OK 99 100 - 99 - 4.3=89, 2.1/3193=35...(22) HG LEU 26 + HA LEU 97 OK 67 98 - 69 - ~10548=19, ~10558=17...(12) HG3 ARG 141 + HA LEU 97 OK 57 100 - 57 - 3199/3.0=9, 3206/3.0=9...(19) HD2 LYS 93 - HA LEU 97 OK 15 96 - 16 - 7158/2.9=3, 3206/3.0=2...(6) HD3 LYS 48 - HA LEU 97 OK 14 81 - 17 - 3199/3.0=2, 3206/3.0=2...(6) HB2 ARG 145 - HA LEU 97 lone 2 62 - 3 - Peak 3193 from cnoeabs.peaks (0.85, 4.55, 52.55 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.93: * QD2 LEU 97 + HA LEU 97 OK 90 100 - 90 - 4.1=48, 7159/2.9=18...(27) QG2 ILE 83 + HA LEU 97 OK 31 89 - 35 - 3207/3.0=6, 3200/3.0=6...(11) QD1 LEU 64 - HA LEU 97 OK 27 72 - 37 - 9133/3.8=5, 3200/3.0=5...(14) Peak 3194 from cnoeabs.peaks (0.88, 4.55, 52.55 ppm; 3.45 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 97 + HA LEU 97 OK 97 100 - 97 - 3.7=80, 2.1/3193=28...(25) QD1 ILE 101 + HA LEU 97 OK 75 98 - 77 - 9175/3.8=21, 9173/3.8=19...(20) QG2 ILE 101 + HA LEU 97 OK 64 100 - 64 - 10140=11, 3.1/9172=9...(23) QG2 ILE 136 - HA LEU 97 OK 17 100 - 17 - 3208/3.0=3, 3201/3.0=3...(7) QG2 ILE 56 - HA LEU 97 poor 10 62 - 16 - 10140=3, 3201/3.0=3...(5) QG2 VAL 80 - HA LEU 97 lone 6 72 - 8 - 8754/3.0=2 HB3 LEU 42 - HA LEU 97 lone 5 77 - 7 - ~10118=1 Peak 3195 from cnoeabs.peaks (7.65, 1.60, 41.43 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.98: * H LEU 97 + HB2 LEU 97 OK 96 100 - 96 - 4.0=78, 7159/3.1=21...(17) H GLY 50 + HB2 LEU 97 OK 53 100 - 53 - 3202/1.8=10, 3216/3.1=9...(19) HD21 ASN 130 - HB2 LEU 97 OK 11 85 - 12 - 3202/1.8=2, 3188/3.0=2...(5) H LEU 66 - HB2 LEU 97 poor 9 72 - 12 - 3223/3.2=2, 3202/1.8=2...(6) H GLU 122 - HB2 LEU 97 lone 2 62 - 4 - Peak 3196 from cnoeabs.peaks (4.55, 1.60, 41.43 ppm; 3.92 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.0=100 HA PRO 98 + HB2 LEU 97 OK 74 98 - 76 - 3.6/9111=17, 3.6/9110=14...(20) HA MET 59 + HB2 LEU 97 OK 58 92 - 63 - 3217/3.1=9, 3203/1.8=8...(25) HA GLU 28 - HB2 LEU 97 OK 21 98 - 21 - 3203/1.8=3, 3234/4.8=3...(11) Peak 3197 from cnoeabs.peaks (1.60, 1.60, 41.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 97 + HB2 LEU 97 OK 100 100 - 100 Peak 3198 from cnoeabs.peaks (1.26, 1.60, 41.43 ppm; 3.20 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 1.8=100 HG3 LYS 61 + HB2 LEU 97 OK 61 100 - 61 - 3219/3.1=5, 3226/3.2=4...(34) HG2 LYS 61 + HB2 LEU 97 OK 57 92 - 62 - 3219/3.1=4, 3226/3.2=4...(35) QG2 THR 99 + HB2 LEU 97 OK 49 100 - 49 - 9156/3.0=9, 9155/3.2=8...(17) HB2 LEU 132 - HB2 LEU 97 OK 31 99 - 31 - 9593/3.2=3, ~4488=2...(17) QG2 THR 102 - HB2 LEU 97 OK 31 81 - 38 - ~3376=5, 2.1/9109=4...(18) Peak 3199 from cnoeabs.peaks (1.68, 1.60, 41.43 ppm; 3.51 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.0=100 HG3 ARG 141 + HB2 LEU 97 OK 72 100 - 72 - 3206/1.8=9, 4808=9...(35) HG LEU 26 + HB2 LEU 97 OK 58 98 - 60 - 3206/1.8=8, 3227/3.2=7...(23) HD2 LYS 93 - HB2 LEU 97 OK 18 96 - 19 - 3206/1.8=2, 3220/3.1=2...(6) HD3 LYS 48 - HB2 LEU 97 OK 17 81 - 20 - 3206/1.8=2, 3227/3.2=2...(6) HB2 ARG 145 - HB2 LEU 97 lone 2 62 - 4 - Peak 3200 from cnoeabs.peaks (0.85, 1.60, 41.43 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.1=100 QG2 ILE 83 - HB2 LEU 97 OK 44 89 - 50 - 3207/1.8=9, 3228/3.2=6...(21) QD1 LEU 64 - HB2 LEU 97 OK 33 72 - 46 - 3207/1.8=6, 2.1/10128=6...(17) Peak 3201 from cnoeabs.peaks (0.88, 1.60, 41.43 ppm; 3.14 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 97 + HB2 LEU 97 OK 99 100 - 99 - 3.2=95, 3208/1.8=13...(23) QD1 ILE 101 + HB2 LEU 97 OK 68 98 - 69 - 10130=16, 9175/4.8=12...(30) QG2 ILE 101 + HB2 LEU 97 OK 63 100 - 63 - 3.1/10130=11, 3208/1.8=8...(27) QG2 ILE 136 - HB2 LEU 97 OK 24 100 - 24 - 3208/1.8=3, 3222/3.1=2...(8) QG2 ILE 56 - HB2 LEU 97 OK 15 62 - 25 - 11010=3, 3208/1.8=3...(9) QG2 VAL 80 - HB2 LEU 97 poor 8 72 - 12 - 8754/1.8=2, ~10110=2 HB3 LEU 42 - HB2 LEU 97 lone 5 77 - 6 - Peak 3202 from cnoeabs.peaks (7.65, 1.26, 41.43 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.99: * H LEU 97 + HB3 LEU 97 OK 97 100 - 97 - 4.0=85, 7159/3.1=22...(20) H GLY 50 + HB3 LEU 97 OK 49 100 - 50 - 3195/1.8=12, 3216/3.1=9...(14) HD21 ASN 130 - HB3 LEU 97 OK 11 85 - 13 - 3195/1.8=2, 3188/3.0=2...(6) H LEU 66 - HB3 LEU 97 poor 9 72 - 12 - 3223/3.2=2, 3195/1.8=2...(6) H GLU 122 - HB3 LEU 97 lone 2 62 - 4 - Peak 3203 from cnoeabs.peaks (4.55, 1.26, 41.43 ppm; 3.71 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.0=100 HA PRO 98 + HB3 LEU 97 OK 74 98 - 76 - 3.6/9108=18, 3.6/9107=15...(20) HA MET 59 + HB3 LEU 97 OK 51 92 - 56 - 3217/3.1=8, 3196/1.8=8...(21) HA GLU 28 - HB3 LEU 97 OK 19 98 - 19 - 3196/1.8=3, 3234/4.8=2...(9) Peak 3204 from cnoeabs.peaks (1.60, 1.26, 41.43 ppm; 3.17 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 1.8=100 HG2 ARG 141 + HB3 LEU 97 OK 62 100 - 62 - 1.8/3206=8, 4800/3.0=5...(31) HD3 LYS 61 - HB3 LEU 97 OK 39 77 - 51 - 5.2/11426=4, 3.6/1665=4...(38) HD2 LYS 61 - HB3 LEU 97 OK 39 77 - 51 - 5.2/11426=4, 3.6/1665=4...(38) HB3 LEU 64 - HB3 LEU 97 OK 30 81 - 37 - 3.0/10105=5, 3.2/3207=4...(20) HG3 ARG 49 - HB3 LEU 97 OK 27 89 - 30 - 9802/4.8=3, ~11586=3...(17) HG3 LYS 48 - HB3 LEU 97 OK 19 99 - 19 - 3225/3.2=1, 3.0/3206=1...(5) HG LEU 108 - HB3 LEU 97 OK 15 100 - 15 - ~3505=1, ~3513=1...(6) HG2 ARG 144 - HB3 LEU 97 OK 12 100 - 12 - HB2 LEU 87 - HB3 LEU 97 OK 11 85 - 13 - 9134/4.8=1 HG3 ARG 144 - HB3 LEU 97 OK 10 81 - 12 - HB2 LEU 79 - HB3 LEU 97 poor 9 85 - 11 - ~10110=1 HG3 LYS 36 - HB3 LEU 97 lone 2 77 - 3 - Peak 3205 from cnoeabs.peaks (1.26, 1.26, 41.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 97 + HB3 LEU 97 OK 100 100 - 100 Peak 3206 from cnoeabs.peaks (1.68, 1.26, 41.43 ppm; 3.58 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.0=100 HG3 ARG 141 + HB3 LEU 97 OK 70 100 - 70 - 3199/1.8=10, 3220/3.1=8...(38) HG LEU 26 + HB3 LEU 97 OK 61 98 - 62 - 2.1/10129=9, 3199/1.8=8...(23) HD2 LYS 93 - HB3 LEU 97 OK 19 96 - 19 - 3199/1.8=3, 3220/3.1=2...(7) HD3 LYS 48 - HB3 LEU 97 OK 16 81 - 20 - 3199/1.8=2, 3227/3.2=2...(5) HB2 ARG 145 - HB3 LEU 97 lone 2 62 - 4 - Peak 3207 from cnoeabs.peaks (0.85, 1.26, 41.43 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.1=100 QG2 ILE 83 + HB3 LEU 97 OK 46 89 - 51 - 3200/1.8=9, 3228/3.2=6...(22) QD1 LEU 64 - HB3 LEU 97 OK 33 72 - 46 - 2.1/10105=7, 3200/1.8=7...(17) Peak 3208 from cnoeabs.peaks (0.88, 1.26, 41.43 ppm; 3.10 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 97 + HB3 LEU 97 OK 98 100 - 98 - 3.2=92, 3201/1.8=12...(24) QD1 ILE 101 + HB3 LEU 97 OK 63 98 - 65 - 10130/1.8=14...(27) QG2 ILE 101 + HB3 LEU 97 OK 60 100 - 60 - 3201/1.8=8, 10140/3.0=6...(27) QG2 ILE 136 - HB3 LEU 97 OK 24 100 - 24 - 3.0/10340=4, 3201/1.8=3...(7) QG2 ILE 56 - HB3 LEU 97 OK 14 62 - 22 - 3201/1.8=3, ~9129=3...(8) QG2 VAL 80 - HB3 LEU 97 OK 10 72 - 14 - 8754=2, ~10110=1, 3201/1.8=1 HB3 LEU 42 - HB3 LEU 97 lone 5 77 - 6 - Peak 3209 from cnoeabs.peaks (7.65, 1.68, 26.52 ppm; 3.73 A): 3 out of 10 assignments used, quality = 0.96: * H LEU 97 + HG LEU 97 OK 88 100 - 88 - 5.3=35, 7159/2.1=27...(18) H GLY 50 + HG LEU 97 OK 46 100 - 47 - 3216/2.1=11, 3223/2.1=11...(11) H LEU 97 + HG LEU 26 OK 43 67 - 64 - 10548/2.1=28...(8) H LEU 66 - HG LEU 26 OK 20 41 - 49 - 10875/2.1=16...(10) H LEU 66 - HG LEU 97 OK 11 72 - 15 - 3223/2.1=3, 3216/2.1=2...(7) HD21 ASN 130 - HG LEU 97 poor 9 85 - 11 - 3223/2.1=2, 3216/2.1=2...(5) H GLY 50 - HG LEU 26 poor 9 66 - 13 - 10875/2.1=3, 10878/2.1=2...(5) H GLU 122 - HG LEU 26 lone 2 35 - 6 - 10875/2.1=2 H GLU 122 - HG LEU 97 lone 2 62 - 3 - HD21 ASN 130 - HG LEU 26 lone 1 51 - 2 - Peak 3210 from cnoeabs.peaks (4.55, 1.68, 26.52 ppm; 4.84 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 97 + HG LEU 97 OK 100 100 - 100 - 4.3=100 HA PRO 98 + HG LEU 97 OK 70 98 - 72 - 3224/2.1=14, 3217/2.1=14...(13) HA MET 59 + HG LEU 97 OK 59 92 - 65 - 3224/2.1=13, 3217/2.1=12...(13) HA LEU 97 + HG LEU 26 OK 54 67 - 81 - ~10548=27, ~10558=24...(12) HA GLU 28 - HG LEU 97 OK 14 98 - 14 - 3196/3.0=3, 3203/3.0=3...(5) HA PRO 98 - HG LEU 26 OK 11 63 - 17 - 4.8/3192=7, 3217/3220=2...(6) HA MET 59 - HG LEU 26 poor 8 56 - 14 - 8301/11455=3, 4.8/1547=2...(7) HA GLU 28 - HG LEU 26 lone 2 63 - 4 - 10541/11455=1 Peak 3211 from cnoeabs.peaks (1.60, 1.68, 26.52 ppm; 2.50 A): 4 out of 26 assignments used, quality = 0.93: * HB2 LEU 97 + HG LEU 97 OK 78 100 - 78 - 3.0=58, 3201/2.1=7...(16) HG2 ARG 141 + HG LEU 97 OK 49 100 - 49 - 4800=9, 3218/2.1=4...(24) HB2 LEU 97 + HG LEU 26 OK 22 67 - 33 - 3199=4, 1.8/3206=4...(14) HD2 LYS 61 + HG LEU 97 OK 22 77 - 28 - 3225/2.1=3, 3218/2.1=2...(13) HD3 LYS 61 - HG LEU 97 OK 22 77 - 28 - 3225/2.1=2, 3218/2.1=2...(13) HG2 ARG 141 - HG LEU 26 OK 18 67 - 27 - ~10505=8, 4800=4, ~279=2...(10) HG LEU 108 - HG LEU 26 OK 14 67 - 22 - 3496/2.1=3, ~3504=2...(11) HG3 ARG 49 - HG LEU 97 OK 13 89 - 15 - ~11586=2, ~11585=2...(5) HB3 LEU 64 - HG LEU 97 OK 12 81 - 15 - 3225/2.1=2, 3.2/3214=2...(6) HG3 LYS 48 - HG LEU 97 OK 11 99 - 11 - 3225/2.1=1, 1190=1, 3218/2.1=1 HG2 ARG 144 - HG LEU 97 lone 8 100 - 8 - 4800=2 HG LEU 108 - HG LEU 97 lone 7 100 - 7 - HG3 ARG 144 - HG LEU 97 lone 6 81 - 7 - HB2 LEU 87 - HG LEU 97 lone 4 85 - 5 - HB2 LEU 79 - HG LEU 97 lone 4 85 - 5 - HG3 ARG 49 - HG LEU 26 lone 3 54 - 6 - HB3 LEU 64 - HG LEU 26 lone 3 48 - 6 - ~10569=2 HD2 LYS 61 - HG LEU 26 lone 2 45 - 4 - HD3 LYS 61 - HG LEU 26 lone 2 45 - 4 - HG3 LYS 36 - HG LEU 97 lone 1 77 - 2 - HG2 ARG 144 - HG LEU 26 lone 1 66 - 1 - HG3 LYS 48 - HG LEU 26 lone 1 64 - 1 - HB2 LEU 87 - HG LEU 26 lone 0 51 - 1 - HB2 LEU 79 - HG LEU 26 lone 0 51 - 1 - HG3 ARG 144 - HG LEU 26 lone 0 48 - 1 - HG3 LYS 36 - HG LEU 26 lone 0 45 - 1 - Peak 3212 from cnoeabs.peaks (1.26, 1.68, 26.52 ppm; 4.04 A): 5 out of 12 assignments used, quality = 1.00: * HB3 LEU 97 + HG LEU 97 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HG LEU 97 OK 78 100 - 78 - 3226/2.1=8, 3219/2.1=8...(51) HG2 LYS 61 + HG LEU 97 OK 72 92 - 78 - 3226/2.1=8, 3219/2.1=8...(51) QG2 THR 99 + HG LEU 97 OK 58 100 - 58 - 9155/2.1=15, 9156/4.3=10...(15) HB3 LEU 97 + HG LEU 26 OK 50 67 - 74 - 3206=12, 10129/2.1=11...(23) QG2 THR 102 - HG LEU 97 OK 43 81 - 52 - 9191/2.1=7, ~9122=6...(18) HB2 LEU 132 - HG LEU 97 OK 41 99 - 41 - 9593/2.1=6, 3219/2.1=4...(20) HB2 LEU 132 - HG LEU 26 OK 16 64 - 25 - ~10577=5, ~10914=3...(11) HG3 LYS 61 - HG LEU 26 OK 16 67 - 24 - ~10584=3, ~269=2, ~269=2...(10) HG2 LYS 61 - HG LEU 26 OK 14 56 - 24 - ~10584=3, ~269=2, ~269=2...(10) QG2 THR 99 - HG LEU 26 lone 4 67 - 6 - 9156/3192=1, 9155/3227=1 QG2 THR 102 - HG LEU 26 lone 2 48 - 3 - Peak 3213 from cnoeabs.peaks (1.68, 1.68, 26.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 97 + HG LEU 97 OK 100 100 - 100 HG LEU 26 + HG LEU 26 OK 63 63 - 100 Peak 3214 from cnoeabs.peaks (0.85, 1.68, 26.52 ppm; 3.08 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 97 + HG LEU 97 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 - HG LEU 97 OK 42 89 - 47 - 3228/2.1=8, 3207/3.0=6...(22) QD2 LEU 97 - HG LEU 26 OK 38 67 - 57 - 3220=11, 2.1/3227=8...(23) QD1 LEU 64 - HG LEU 97 OK 25 72 - 34 - 3228/2.1=5, 3200/3.0=4...(14) QG2 ILE 83 - HG LEU 26 poor 9 54 - 16 - 10659/3.0=3, ~10571=3...(4) QD1 LEU 64 - HG LEU 26 lone 3 41 - 7 - ~10569=1 Peak 3215 from cnoeabs.peaks (0.88, 1.68, 26.52 ppm; 2.93 A): 3 out of 14 assignments used, quality = 1.00: * QD1 LEU 97 + HG LEU 97 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HG LEU 97 OK 50 100 - 51 - 3222/2.1=7, 3201/3.0=5...(28) QD1 ILE 101 + HG LEU 97 OK 48 98 - 49 - 10130/3.0=9, 3222/2.1=7...(26) QD1 LEU 97 - HG LEU 26 OK 38 67 - 57 - 3227=11, 10908/2.1=8...(23) QG2 ILE 136 - HG LEU 97 OK 23 100 - 23 - 3222/2.1=3, 3208/3.0=2...(12) QG2 ILE 56 - HG LEU 97 OK 14 62 - 23 - ~9129=4, 3222/2.1=3...(12) QG2 ILE 56 - HG LEU 26 OK 10 35 - 30 - ~10595=8, ~10428=7...(13) QG2 VAL 80 - HG LEU 97 poor 9 72 - 12 - ~10110=2, 8754/3.0=1, 3222/2.1=1 QG2 VAL 80 - HG LEU 26 poor 8 41 - 20 - 10908/2.1=6, 10545/4.3=3...(7) QD1 ILE 101 - HG LEU 26 lone 5 63 - 8 - 10908/2.1=2 QG2 ILE 101 - HG LEU 26 lone 5 67 - 8 - 10908/2.1=2, 1462/2.1=1 QG2 ILE 136 - HG LEU 26 lone 4 67 - 5 - 10908/2.1=2 HB3 LEU 42 - HG LEU 97 lone 3 77 - 4 - HB3 LEU 42 - HG LEU 26 lone 2 45 - 5 - ~10573=4 Peak 3216 from cnoeabs.peaks (7.65, 0.85, 22.50 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.96: * H LEU 97 + QD2 LEU 97 OK 91 100 - 91 - 5.0=34, 2.9/3193=23...(19) H GLY 50 + QD2 LEU 97 OK 49 100 - 49 - 3223/2.1=10, 3195/3.1=7...(17) H LEU 66 - QD2 LEU 97 poor 9 72 - 12 - 3223/2.1=2, 3.6/11427=1...(6) HD21 ASN 130 - QD2 LEU 97 lone 9 85 - 10 - 3223/2.1=2, 3202/3.1=2...(5) H GLU 122 - QD2 LEU 97 lone 2 62 - 4 - Peak 3217 from cnoeabs.peaks (4.55, 0.85, 22.50 ppm; 2.73 A): 3 out of 4 assignments used, quality = 0.92: * HA LEU 97 + QD2 LEU 97 OK 77 100 - 77 - 4.1=30, 2.9/7159=13...(23) HA PRO 98 + QD2 LEU 97 OK 46 98 - 47 - 3.6/9125=12, 3.6/9123=11...(12) HA MET 59 + QD2 LEU 97 OK 33 92 - 36 - 3.7/9127=7, 3.0/10108=6...(11) HA GLU 28 - QD2 LEU 97 lone 7 98 - 7 - 3203/3.1=1, 3224/2.1=1 Peak 3218 from cnoeabs.peaks (1.60, 0.85, 22.50 ppm; 2.92 A): 2 out of 13 assignments used, quality = 0.97: * HB2 LEU 97 + QD2 LEU 97 OK 94 100 - 94 - 3.1=80, 3.0/3193=16...(20) HG2 ARG 141 + QD2 LEU 97 OK 57 100 - 57 - 1.8/3220=8, 4800/2.1=6...(23) HD2 LYS 61 - QD2 LEU 97 OK 30 77 - 39 - 3.0/3219=4, 3.0/3219=4...(18) HD3 LYS 61 - QD2 LEU 97 OK 30 77 - 39 - 3.0/3219=4, 3.0/3219=4...(18) HG3 ARG 49 - QD2 LEU 97 OK 25 89 - 28 - 3.0/11586=9, ~11585=3...(9) HB3 LEU 64 - QD2 LEU 97 OK 22 81 - 28 - 3225/2.1=2, ~9130=2...(11) HG3 LYS 48 - QD2 LEU 97 OK 16 99 - 16 - 3225/2.1=2, 3211/2.1=1...(4) HG LEU 108 - QD2 LEU 97 OK 14 100 - 15 - 3.7/11018=4...(3) HG2 ARG 144 - QD2 LEU 97 OK 11 100 - 11 - 3.9/11427=1, 4800/2.1=1 HB2 LEU 87 - QD2 LEU 97 OK 10 85 - 12 - 4.6/10137=2, 3.0/11006=2 HG3 ARG 144 - QD2 LEU 97 poor 10 81 - 12 - 3.9/11427=1 HB2 LEU 79 - QD2 LEU 97 lone 7 85 - 8 - ~10110=1 HG3 LYS 36 - QD2 LEU 97 lone 2 77 - 3 - Peak 3219 from cnoeabs.peaks (1.26, 0.85, 22.50 ppm; 2.95 A): 3 out of 6 assignments used, quality = 0.99: * HB3 LEU 97 + QD2 LEU 97 OK 95 100 - 95 - 3.1=83, 3.0/3193=17...(20) HG3 LYS 61 + QD2 LEU 97 OK 50 100 - 50 - 3226/2.1=5, 3198/3.1=4...(24) HG2 LYS 61 + QD2 LEU 97 OK 46 92 - 51 - 3226/2.1=5, 3198/3.1=4...(25) QG2 THR 99 - QD2 LEU 97 OK 40 100 - 40 - 9155/2.1=10, 9154/2.1=6...(14) QG2 THR 102 - QD2 LEU 97 OK 27 81 - 33 - 2.1/9122=6, 3.2/9122=4...(15) HB2 LEU 132 - QD2 LEU 97 OK 23 99 - 23 - 3226/2.1=3, 3198/3.1=2...(9) Peak 3220 from cnoeabs.peaks (1.68, 0.85, 22.50 ppm; 2.65 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 97 + QD2 LEU 97 OK 100 100 - 100 - 2.1=100 HG3 ARG 141 + QD2 LEU 97 OK 48 100 - 48 - 3227/2.1=6, 1.8/3218=5...(23) HG LEU 26 - QD2 LEU 97 OK 42 98 - 43 - 3227/2.1=6, 3214=6...(20) HD2 LYS 93 - QD2 LEU 97 OK 13 96 - 14 - 3227/2.1=2, 4.9/9122=1...(4) HD3 LYS 48 - QD2 LEU 97 poor 8 81 - 10 - 3227/2.1=1 HB2 ARG 145 - QD2 LEU 97 lone 2 62 - 3 - Peak 3221 from cnoeabs.peaks (0.85, 0.85, 22.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 97 + QD2 LEU 97 OK 100 100 - 100 Peak 3222 from cnoeabs.peaks (0.88, 0.85, 22.50 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 97 + QD2 LEU 97 OK 100 100 - 100 - 2.1=100 QD1 ILE 101 - QD2 LEU 97 OK 44 98 - 45 - 10130/3.1=6, 3.2/10108=4...(16) QG2 ILE 101 - QD2 LEU 97 OK 41 100 - 41 - 2.1/10108=5, 3215/2.1=3...(14) QG2 ILE 136 - QD2 LEU 97 OK 19 100 - 19 - 2.1/10131=2, 3215/2.1=2...(6) QG2 ILE 56 - QD2 LEU 97 OK 11 62 - 17 - ~9129=2, ~9129=1...(6) QG2 VAL 80 - QD2 LEU 97 lone 6 72 - 8 - ~10110=1 HB3 LEU 42 - QD2 LEU 97 lone 3 77 - 3 - Peak 3223 from cnoeabs.peaks (7.65, 0.88, 26.03 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.96: * H LEU 97 + QD1 LEU 97 OK 92 100 - 92 - 4.8=38, 7159/2.1=25...(21) H GLY 50 + QD1 LEU 97 OK 48 100 - 48 - 3216/2.1=10, 3195/3.2=7...(13) H LEU 66 - QD1 LEU 97 OK 12 72 - 16 - 4.5/9892=2, 2.8/11155=2...(9) HD21 ASN 130 - QD1 LEU 97 OK 10 85 - 12 - 3216/2.1=2, 5.5/10136=2...(6) H GLU 122 - QD1 LEU 97 lone 2 62 - 4 - Peak 3224 from cnoeabs.peaks (4.55, 0.88, 26.03 ppm; 3.78 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 97 + QD1 LEU 97 OK 100 100 - 100 - 3.7=100 HA PRO 98 + QD1 LEU 97 OK 75 98 - 77 - 3.6/9117=21, 3.6/9115=21...(17) HA MET 59 + QD1 LEU 97 OK 60 92 - 65 - 3.7/9128=11, 3217/2.1=10...(21) HA GLU 28 - QD1 LEU 97 OK 16 98 - 16 - 3234/4.6=3, 3242/4.6=3...(7) Peak 3225 from cnoeabs.peaks (1.60, 0.88, 26.03 ppm; 2.99 A): 2 out of 13 assignments used, quality = 0.98: * HB2 LEU 97 + QD1 LEU 97 OK 95 100 - 95 - 3.2=82, 1.8/3208=11...(21) HG2 ARG 141 + QD1 LEU 97 OK 57 100 - 58 - 1.8/3227=9, 2.8/10132=7...(22) HD2 LYS 61 - QD1 LEU 97 OK 34 77 - 44 - 3.6/9129=4, 3.0/3226=4...(20) HD3 LYS 61 - QD1 LEU 97 OK 34 77 - 44 - 3.6/9129=4, 3.0/3226=4...(20) HB3 LEU 64 - QD1 LEU 97 OK 26 81 - 32 - 3.0/9130=5, 3.2/3228=3...(13) HG3 ARG 49 - QD1 LEU 97 OK 24 89 - 28 - 3.0/11585=7, ~11586=4...(8) HG3 LYS 48 - QD1 LEU 97 OK 19 99 - 19 - 2.9/10132=2, 3218/2.1=2...(6) HG LEU 108 - QD1 LEU 97 OK 12 100 - 12 - 3218/2.1=1 HG2 ARG 144 - QD1 LEU 97 OK 11 100 - 11 - 3218/2.1=1, 4800/2.1=1 HG3 ARG 144 - QD1 LEU 97 poor 10 81 - 12 - 3.0/10132=1 HB2 LEU 87 - QD1 LEU 97 poor 10 85 - 11 - 4.6/9103=2, 9134/4.6=1 HB2 LEU 79 - QD1 LEU 97 lone 7 85 - 9 - 3.0/10110=2 HG3 LYS 36 - QD1 LEU 97 lone 3 77 - 4 - Peak 3226 from cnoeabs.peaks (1.26, 0.88, 26.03 ppm; 3.04 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + QD1 LEU 97 OK 96 100 - 96 - 3.2=86, 1.8/3201=11...(23) HG3 LYS 61 + QD1 LEU 97 OK 56 100 - 56 - 3219/2.1=6, 3.0/9129=6...(25) HG2 LYS 61 + QD1 LEU 97 OK 52 92 - 57 - 3.0/9129=6, 3219/2.1=5...(26) QG2 THR 99 + QD1 LEU 97 OK 45 100 - 45 - 9155=9, 9156/3.7=7...(15) QG2 THR 102 - QD1 LEU 97 OK 30 81 - 37 - 9191=4, 4.0/10134=4...(16) HB2 LEU 132 - QD1 LEU 97 OK 29 99 - 29 - 3219/2.1=3, 1.8/9594=2...(10) Peak 3227 from cnoeabs.peaks (1.68, 0.88, 26.03 ppm; 2.71 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + QD1 LEU 97 OK 100 100 - 100 - 2.1=100 HG3 ARG 141 + QD1 LEU 97 OK 50 100 - 50 - 3220/2.1=7, 2.8/10132=6...(23) HG LEU 26 + QD1 LEU 97 OK 46 98 - 47 - 2.1/10908=8, 3220/2.1=6...(23) HD2 LYS 93 - QD1 LEU 97 OK 13 96 - 14 - 3220/2.1=2, 3.4/10132=2...(5) HD3 LYS 48 - QD1 LEU 97 OK 11 81 - 13 - 3220/2.1=1, 3.6/10132=1 HB2 ARG 145 - QD1 LEU 97 lone 2 62 - 2 - Peak 3228 from cnoeabs.peaks (0.85, 0.88, 26.03 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 97 + QD1 LEU 97 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 - QD1 LEU 97 OK 31 89 - 35 - 3214/2.1=4, 3207/3.2=3...(15) QD1 LEU 64 - QD1 LEU 97 OK 19 72 - 27 - 2.1/9130=5, 3200/3.2=3...(11) Peak 3229 from cnoeabs.peaks (0.88, 0.88, 26.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 97 + QD1 LEU 97 OK 100 100 - 100 Peak 3230 from cnoeabs.peaks (4.55, 3.42, 50.25 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.99: * HA LEU 97 + HD2 PRO 98 OK 93 100 - 94 - 3.8=58, 3233/1.8=18...(24) HA PRO 98 + HD2 PRO 98 OK 84 98 - 86 - 3.6=67, 3242/1.8=15...(13) HA MET 59 - HD2 PRO 98 OK 25 92 - 28 - 3232/1.8=4, 3224/4.6=3...(12) HA GLU 28 - HD2 PRO 98 OK 21 98 - 21 - 3242/1.8=4, 3266/3.0=3...(5) Peak 3231 from cnoeabs.peaks (3.42, 4.55, 52.55 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.99: * HD2 PRO 98 + HA LEU 97 OK 99 100 - 99 - 3.8=88, 1.8/3233=24...(25) HB3 TYR 112 - HA LEU 97 OK 23 68 - 34 - 3247/3.8=6, 9108/3.0=5...(13) Peak 3232 from cnoeabs.peaks (4.55, 3.90, 50.25 ppm; 3.12 A): 2 out of 4 assignments used, quality = 0.99: * HA LEU 97 + HD3 PRO 98 OK 93 100 - 93 - 3.8=57, 3231/1.8=22...(21) HA PRO 98 + HD3 PRO 98 OK 82 98 - 84 - 3.6=65, 3274/2.3=14...(12) HA MET 59 - HD3 PRO 98 OK 22 92 - 24 - 3230/1.8=5, 3224/4.6=3...(11) HA GLU 28 - HD3 PRO 98 OK 20 98 - 20 - 3234/1.8=4, 3266/3.0=3...(5) Peak 3233 from cnoeabs.peaks (3.90, 4.55, 52.55 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.99: * HD3 PRO 98 + HA LEU 97 OK 99 100 - 99 - 3.8=90, 1.8/3231=30...(23) HA MET 46 - HA LEU 97 OK 30 100 - 30 - 9107/3.0=6, 9110/3.0=5...(9) HA TYR 112 - HA LEU 97 OK 22 68 - 33 - 2.9/3231=5, 10106/3.0=5...(15) Peak 3234 from cnoeabs.peaks (4.55, 3.42, 50.25 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 97 + HD2 PRO 98 OK 92 98 - 94 - 3.8=58, 3233/1.8=17...(24) * HA PRO 98 + HD2 PRO 98 OK 86 100 - 86 - 3.6=67, 3242/1.8=15...(13) HA GLU 28 - HD2 PRO 98 OK 22 100 - 21 - 3242/1.8=4, 3266/3.0=4...(5) HA MET 59 - HD2 PRO 98 OK 18 72 - 26 - 3232/1.8=4, 3224/4.6=3...(12) Peak 3235 from cnoeabs.peaks (2.35, 3.42, 50.25 ppm; 4.30 A): 4 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 GLN 47 + HD2 PRO 98 OK 70 81 - 85 - ~10678=11, 3283/2.3=10...(32) HB2 GLN 47 + HD2 PRO 98 OK 67 81 - 83 - 10678/2.3=11...(30) HE2 LYS 123 + HD2 PRO 98 OK 67 98 - 68 - 9469/2.3=22, 3275/2.3=8...(17) Peak 3236 from cnoeabs.peaks (1.95, 3.42, 50.25 ppm; 3.79 A): 5 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 + HD2 PRO 98 OK 64 77 - 83 - 2.9/9131=19, 2.9/9138=12...(46) HG2 PRO 52 + HD2 PRO 98 OK 62 72 - 86 - 2.3/3238=10, 3284/2.3=8...(50) HB3 PRO 52 + HD2 PRO 98 OK 60 68 - 88 - 1.8/3238=11, 3284/2.3=8...(57) HB2 LYS 61 + HD2 PRO 98 OK 51 96 - 53 - 3.0/9132=6, 3244/1.8=5...(23) HB ILE 56 - HD2 PRO 98 OK 40 99 - 40 - 2.1/9133=7, 9129/4.6=6...(17) HB3 GLU 122 - HD2 PRO 98 OK 12 85 - 14 - 1.8/9138=2, 3244/1.8=1, ~4068=1 HB3 MET 11 - HD2 PRO 98 lone 8 81 - 9 - 528/9131=1 Peak 3237 from cnoeabs.peaks (2.04, 3.42, 50.25 ppm; 3.22 A): 4 out of 6 assignments used, quality = 1.00: * HG2 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HD2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD2 PRO 98 OK 60 89 - 67 - 3245/1.8=7, 3261/3.0=5...(30) HB3 LYS 34 + HD2 PRO 98 OK 48 68 - 71 - 2.9/9131=13, 2.9/9138=8...(36) HB2 PRO 33 - HD2 PRO 98 OK 21 96 - 21 - 3245/1.8=2, 3261/3.0=2...(6) HA ARG 35 - HD2 PRO 98 OK 14 77 - 18 - ~11042=5, 3246/1.8=2...(10) Peak 3238 from cnoeabs.peaks (2.06, 3.42, 50.25 ppm; 3.26 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HD2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD2 PRO 98 OK 70 100 - 71 - 3246/1.8=9, 3262/3.0=7...(32) HD2 ARG 49 - HD2 PRO 98 OK 27 72 - 38 - ~8195=9, 8193/1.8=6...(12) HA ARG 35 - HD2 PRO 98 OK 20 100 - 20 - ~11042=5, 3246/1.8=2...(12) HB3 GLN 62 - HD2 PRO 98 OK 11 81 - 14 - 3246/1.8=2, ~1759=2...(6) HB2 LEU 26 - HD2 PRO 98 poor 9 62 - 15 - ~10113=5, 1.8/9131=4...(4) Peak 3239 from cnoeabs.peaks (3.42, 3.42, 50.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 98 + HD2 PRO 98 OK 100 100 - 100 Peak 3240 from cnoeabs.peaks (3.90, 3.42, 50.25 ppm; 2.94 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 1.8=100 HA MET 46 - HD2 PRO 98 OK 32 100 - 32 - 3280/2.3=5, 3288/2.3=5...(13) HA TYR 112 - HD2 PRO 98 OK 30 68 - 44 - 3288/2.3=5, 3280/2.3=5...(25) Peak 3242 from cnoeabs.peaks (4.55, 3.90, 50.25 ppm; 3.12 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 97 + HD3 PRO 98 OK 91 98 - 93 - 3.8=57, 3231/1.8=22...(22) * HA PRO 98 + HD3 PRO 98 OK 84 100 - 84 - 3.6=65, 3274/2.3=15...(12) HA GLU 28 - HD3 PRO 98 OK 21 100 - 20 - 3234/1.8=4, 3266/3.0=4...(5) HA MET 59 - HD3 PRO 98 OK 17 72 - 23 - 3230/1.8=4, 3224/4.6=3...(11) Peak 3243 from cnoeabs.peaks (2.35, 3.90, 50.25 ppm; 4.69 A): 4 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 GLN 47 + HD3 PRO 98 OK 74 81 - 91 - ~10678=14, 4.0/6399=11...(35) HB2 GLN 47 + HD3 PRO 98 OK 73 81 - 89 - 10678/2.3=13...(32) HE2 LYS 123 + HD3 PRO 98 OK 70 98 - 71 - 9469/2.3=25, 3235/1.8=10...(15) Peak 3244 from cnoeabs.peaks (1.95, 3.90, 50.25 ppm; 4.17 A): 5 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 + HD3 PRO 98 OK 69 77 - 89 - ~9131=15, ~9138=11...(47) HG2 PRO 52 + HD3 PRO 98 OK 65 72 - 90 - 2.3/3246=11, 3284/2.3=8...(50) HB3 PRO 52 + HD3 PRO 98 OK 63 68 - 93 - 1.8/3246=12, ~3238=9...(57) HB2 LYS 61 + HD3 PRO 98 OK 57 96 - 59 - 3.0/9136=7, 3.0/9136=7...(22) HB ILE 56 - HD3 PRO 98 OK 41 99 - 42 - 9129/4.6=7, 2.1/9137=6...(17) HB3 GLU 122 - HD3 PRO 98 OK 14 85 - 16 - ~9138=2, 3236/1.8=1...(7) HB3 MET 11 - HD3 PRO 98 lone 8 81 - 10 - 9129/4.6=1 Peak 3245 from cnoeabs.peaks (2.04, 3.90, 50.25 ppm; 3.25 A): 4 out of 6 assignments used, quality = 1.00: * HG2 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HD3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD3 PRO 98 OK 61 89 - 68 - 3237/1.8=7, 3261/3.0=6...(31) HB3 LYS 34 + HD3 PRO 98 OK 49 68 - 72 - ~9131=8, ~9131=6...(38) HB2 PRO 33 - HD3 PRO 98 OK 20 96 - 21 - 3237/1.8=2, 3261/3.0=2...(6) HA ARG 35 - HD3 PRO 98 OK 14 77 - 18 - 3.0/11042=5, 3238/1.8=2...(11) Peak 3246 from cnoeabs.peaks (2.06, 3.90, 50.25 ppm; 3.25 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HD3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD3 PRO 98 OK 70 100 - 71 - 3238/1.8=9, 3262/3.0=7...(30) HD2 ARG 49 - HD3 PRO 98 OK 28 72 - 39 - 3.0/8195=10, 8193=6...(11) HA ARG 35 - HD3 PRO 98 OK 20 100 - 20 - 3.0/11042=5, 3238/1.8=2...(11) HB3 GLN 62 - HD3 PRO 98 OK 11 81 - 13 - 3238/1.8=2, ~1759=2...(6) HB2 LEU 26 - HD3 PRO 98 poor 9 62 - 15 - ~10113=5, ~9131=3...(4) Peak 3247 from cnoeabs.peaks (3.42, 3.90, 50.25 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 1.8=100 HB3 TYR 112 - HD3 PRO 98 OK 29 68 - 43 - 3279/2.3=6, 3287/2.3=6...(22) Peak 3248 from cnoeabs.peaks (3.90, 3.90, 50.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 98 + HD3 PRO 98 OK 100 100 - 100 Peak 3250 from cnoeabs.peaks (4.55, 4.55, 62.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 98 + HA PRO 98 OK 100 100 - 100 Peak 3251 from cnoeabs.peaks (2.35, 4.55, 62.62 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HA PRO 98 OK 100 100 - 100 - 2.3=100 HB2 GLN 47 - HA PRO 98 OK 37 81 - 45 - 3267/2.3=6, 1103/2.3=6...(15) HB3 GLN 47 - HA PRO 98 OK 36 81 - 45 - 3267/2.3=7, 1112/2.3=6...(15) HE2 LYS 123 - HA PRO 98 OK 33 98 - 34 - 9469/3.8=7, 3267/2.3=5...(13) Peak 3252 from cnoeabs.peaks (1.95, 4.55, 62.62 ppm; 3.13 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + HA PRO 98 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 - HA PRO 98 OK 42 68 - 62 - 1.8/3254=7, 3260/2.3=6...(39) HG2 PRO 52 - HA PRO 98 OK 41 72 - 56 - 2.3/3254=6, 3260/2.3=6...(34) HB2 LYS 34 - HA PRO 98 OK 34 77 - 44 - 3260/2.3=5, 1.8/3253=4...(22) HB2 LYS 61 - HA PRO 98 OK 31 96 - 33 - 3260/2.3=4, ~1673=3...(19) HB ILE 56 - HA PRO 98 OK 18 99 - 18 - ~8304=2, 3260/2.3=2...(9) HB3 GLU 122 - HA PRO 98 lone 6 85 - 7 - HB3 MET 11 - HA PRO 98 lone 4 81 - 5 - Peak 3253 from cnoeabs.peaks (2.04, 4.55, 62.62 ppm; 3.48 A): 3 out of 6 assignments used, quality = 0.98: * HG2 PRO 98 + HA PRO 98 OK 88 100 - 88 - 3.8=74, 1.8/3282=20...(7) HG3 PRO 98 + HA PRO 98 OK 67 77 - 88 - 3.8=74, 1.8/3274=20...(6) HB2 PRO 52 + HA PRO 98 OK 50 89 - 57 - 3261/2.3=8, 3269/2.3=7...(28) HB3 LYS 34 - HA PRO 98 OK 31 68 - 46 - 3269/2.3=6, 3261/2.3=5...(19) HB2 PRO 33 - HA PRO 98 OK 12 96 - 12 - 3261/2.3=2, 3269/2.3=2...(5) HA ARG 35 - HA PRO 98 lone 7 77 - 8 - ~6176=2, 3270/2.3=2...(5) Peak 3254 from cnoeabs.peaks (2.06, 4.55, 62.62 ppm; 3.41 A): 3 out of 7 assignments used, quality = 0.98: * HG3 PRO 98 + HA PRO 98 OK 86 100 - 86 - 3.8=70, 1.8/3274=19...(9) HG2 PRO 98 + HA PRO 98 OK 66 77 - 85 - 3.8=70, 1.8/3282=19...(7) HB2 PRO 52 + HA PRO 98 OK 58 100 - 58 - 3262/2.3=9, 3270/2.3=9...(28) HD2 ARG 49 - HA PRO 98 OK 10 72 - 14 - 8193/3.6=6, 3262/2.3=3...(4) HA ARG 35 - HA PRO 98 lone 10 100 - 10 - ~6176=2, 3262/2.3=2...(5) HB3 GLN 62 - HA PRO 98 poor 9 81 - 11 - 3262/2.3=2, 3270/2.3=2...(4) HB2 LEU 26 - HA PRO 98 lone 4 62 - 6 - 8275/8293=1 Peak 3255 from cnoeabs.peaks (3.42, 4.55, 62.62 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 98 + HA PRO 98 OK 100 100 - 100 - 3.6=100 HB3 TYR 112 + HA PRO 98 OK 48 68 - 71 - 3271/2.3=15, 3263/2.3=15...(14) Peak 3256 from cnoeabs.peaks (3.90, 4.55, 62.62 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 98 + HA PRO 98 OK 100 100 - 100 - 3.6=100 HA MET 46 - HA PRO 98 OK 37 100 - 37 - 3264/2.3=9, 3272/2.3=8...(6) HA TYR 112 - HA PRO 98 OK 34 68 - 50 - 3272/2.3=9, 3264/2.3=8...(11) Peak 3257 from cnoeabs.peaks (8.31, 4.55, 62.62 ppm; 3.07 A): 1 out of 3 assignments used, quality = 0.83: * H THR 99 + HA PRO 98 OK 83 100 - 83 - 3.6=64, 3265/2.3=19...(10) H ASN 128 - HA PRO 98 lone 4 92 - 4 - 3265/2.3=1, 3273/2.3=1 H THR 18 - HA PRO 98 lone 1 81 - 1 - Peak 3258 from cnoeabs.peaks (4.55, 2.35, 32.00 ppm; 2.89 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 2.3=100 HA LEU 97 + HB2 PRO 98 OK 71 98 - 73 - 3231/3.0=14, 3233/3.0=11...(28) HA GLU 28 - HB2 PRO 98 OK 21 100 - 21 - 3266/1.8=4, 3274/2.3=3...(10) HA MET 59 - HB2 PRO 98 OK 10 72 - 14 - 3230/3.0=3, 3232/3.0=2...(5) Peak 3259 from cnoeabs.peaks (2.35, 2.35, 32.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 98 + HB2 PRO 98 OK 100 100 - 100 Peak 3260 from cnoeabs.peaks (1.95, 2.35, 32.00 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 1.8=100 HB3 PRO 52 - HB2 PRO 98 OK 43 68 - 64 - 1.8/3262=6, 3284/2.3=4...(46) HG2 PRO 52 - HB2 PRO 98 OK 43 72 - 59 - 2.3/3262=5, 3284/2.3=4...(48) HB2 LYS 34 - HB2 PRO 98 OK 38 77 - 49 - 1.8/3261=3, 3284/2.3=3...(31) HB2 LYS 61 - HB2 PRO 98 OK 25 96 - 26 - ~1673=3, 3252/2.3=2...(13) HB ILE 56 - HB2 PRO 98 OK 15 99 - 16 - 2.1/8304=3, ~1459=1...(7) HB3 GLU 122 - HB2 PRO 98 lone 5 85 - 6 - HB3 MET 11 - HB2 PRO 98 lone 3 81 - 4 - Peak 3261 from cnoeabs.peaks (2.04, 2.35, 32.00 ppm; 2.86 A): 3 out of 6 assignments used, quality = 1.00: * HG2 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HB2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB2 PRO 98 OK 58 89 - 66 - 1.8/3260=6, 3269/1.8=6...(47) HB3 LYS 34 - HB2 PRO 98 OK 42 68 - 62 - 1.8/3260=5, 3269/1.8=5...(39) HB2 PRO 33 - HB2 PRO 98 OK 16 96 - 17 - 3269/1.8=2, 3237/3.0=1...(4) HA ARG 35 - HB2 PRO 98 OK 10 77 - 13 - ~11042=3, ~6176=2...(4) Peak 3262 from cnoeabs.peaks (2.06, 2.35, 32.00 ppm; 2.90 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HB2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB2 PRO 98 OK 68 100 - 69 - 3270/1.8=7, 1.8/3260=6...(47) HD2 ARG 49 - HB2 PRO 98 OK 20 72 - 28 - ~8195=5, 8193/3.0=4...(12) HA ARG 35 - HB2 PRO 98 OK 15 100 - 15 - ~11042=3, 3270/1.8=2...(6) HB3 GLN 62 - HB2 PRO 98 OK 11 81 - 14 - 4.0/10145=3, 3270/1.8=2...(6) HB2 LEU 26 - HB2 PRO 98 poor 6 62 - 10 - ~10113=4, ~9131=1 Peak 3263 from cnoeabs.peaks (3.42, 2.35, 32.00 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 - HB2 PRO 98 OK 42 68 - 63 - 3271/1.8=11, 3287/2.3=9...(21) Peak 3264 from cnoeabs.peaks (3.90, 2.35, 32.00 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 3.0=100 HA MET 46 + HB2 PRO 98 OK 46 100 - 46 - 3272/1.8=9, 3280/2.3=8...(10) HA TYR 112 - HB2 PRO 98 OK 45 68 - 67 - 3272/1.8=9, 2.9/3263=9...(22) Peak 3265 from cnoeabs.peaks (8.31, 2.35, 32.00 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.97: * H THR 99 + HB2 PRO 98 OK 97 100 - 97 - 4.2=83, 3257/2.3=40...(14) H ASN 128 - HB2 PRO 98 lone 7 92 - 7 - 3273/1.8=2, 3257/2.3=2 H THR 18 - HB2 PRO 98 lone 2 81 - 2 - Peak 3266 from cnoeabs.peaks (4.55, 1.95, 32.00 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 2.3=100 HA LEU 97 + HB3 PRO 98 OK 75 98 - 77 - 3231/3.0=16, 3258/1.8=13...(28) HA GLU 28 - HB3 PRO 98 OK 24 100 - 24 - 3258/1.8=5, 3274/2.3=3...(10) HA MET 59 - HB3 PRO 98 OK 12 72 - 17 - 3230/3.0=3, 3232/3.0=3...(6) Peak 3267 from cnoeabs.peaks (2.35, 1.95, 32.00 ppm; 2.51 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 1.8=100 HB3 GLN 47 - HB3 PRO 98 OK 41 81 - 51 - 1112/1.8=5, ~1103=4...(27) HB2 GLN 47 - HB3 PRO 98 OK 39 81 - 48 - 1103/1.8=5, 3283/2.3=4...(26) HE2 LYS 123 - HB3 PRO 98 OK 29 98 - 30 - 9469/2.3=6, ~4192=3...(12) Peak 3268 from cnoeabs.peaks (1.95, 1.95, 32.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 98 + HB3 PRO 98 OK 100 100 - 100 Peak 3269 from cnoeabs.peaks (2.04, 1.95, 32.00 ppm; 2.58 A): 2 out of 6 assignments used, quality = 1.00: * HG2 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HB3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 - HB3 PRO 98 OK 42 89 - 48 - 3261/1.8=5, 3253/2.3=3...(32) HB3 LYS 34 - HB3 PRO 98 OK 34 68 - 50 - 3261/1.8=4, ~9131=3...(33) HB2 PRO 33 - HB3 PRO 98 OK 13 96 - 13 - 3261/1.8=2, 3237/3.0=1 HA ARG 35 - HB3 PRO 98 poor 8 77 - 11 - ~11042=2, 2.8/6176=1 Peak 3270 from cnoeabs.peaks (2.06, 1.95, 32.00 ppm; 2.66 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HB3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB3 PRO 98 OK 52 100 - 53 - 3262/1.8=7, 3254/2.3=5...(34) HD2 ARG 49 - HB3 PRO 98 OK 15 72 - 21 - ~8195=4, 8193/3.0=3...(9) HA ARG 35 - HB3 PRO 98 OK 13 100 - 13 - ~11042=2, 2.8/6176=2...(5) HB3 GLN 62 - HB3 PRO 98 poor 9 81 - 11 - 4.0/6577=2, 3262/1.8=1 HB2 LEU 26 - HB3 PRO 98 lone 5 62 - 9 - ~10113=3, ~9131=1 Peak 3271 from cnoeabs.peaks (3.42, 1.95, 32.00 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 - HB3 PRO 98 OK 43 68 - 64 - 3263/1.8=11, 3287/2.3=10...(21) Peak 3272 from cnoeabs.peaks (3.90, 1.95, 32.00 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 3.0=100 HA TYR 112 - HB3 PRO 98 OK 42 68 - 62 - 2.9/3271=8, 3264/1.8=8...(22) HA MET 46 - HB3 PRO 98 OK 38 100 - 39 - 3264/1.8=8, 3280/2.3=7...(8) Peak 3273 from cnoeabs.peaks (8.31, 1.95, 32.00 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.98: * H THR 99 + HB3 PRO 98 OK 98 100 - 98 - 4.2=89, 3257/2.3=41...(11) H ASN 128 - HB3 PRO 98 lone 5 92 - 6 - 3265/1.8=3, 3257/2.3=2 H THR 18 - HB3 PRO 98 lone 2 81 - 2 - Peak 3274 from cnoeabs.peaks (4.55, 2.04, 27.30 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.97: HA LEU 97 + HG2 PRO 98 OK 83 98 - 85 - 3231/2.3=22, 3233/2.3=18...(23) * HA PRO 98 + HG2 PRO 98 OK 83 100 - 83 - 3.8=66, 3242/2.3=15...(7) HA GLU 28 - HG2 PRO 98 OK 18 100 - 18 - 3266/2.3=5, 3258/2.3=5...(4) HA MET 59 - HG2 PRO 98 OK 15 72 - 21 - 3230/2.3=4, 4.9/8324=4...(6) Peak 3275 from cnoeabs.peaks (2.35, 2.04, 27.30 ppm; 3.16 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 GLN 47 + HG2 PRO 98 OK 52 81 - 64 - 3267/2.3=7, 1112/2.3=7...(23) HB2 GLN 47 + HG2 PRO 98 OK 51 81 - 63 - 1103/2.3=7, 3267/2.3=7...(23) HE2 LYS 123 - HG2 PRO 98 OK 44 98 - 45 - 9469/1.8=11, 3267/2.3=5...(15) Peak 3276 from cnoeabs.peaks (1.95, 2.04, 27.30 ppm; 2.77 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HG2 PRO 98 OK 52 72 - 71 - 1.8/1374=5, 2.3/1358=5...(56) HB3 PRO 52 + HG2 PRO 98 OK 51 68 - 75 - 1358=5, 3260/2.3=5...(50) HB2 LYS 34 - HG2 PRO 98 OK 43 77 - 56 - ~9131=5, 3260/2.3=4...(33) HB2 LYS 61 - HG2 PRO 98 OK 27 96 - 28 - 3260/2.3=3, 3.0/9143=3...(14) HB ILE 56 - HG2 PRO 98 OK 19 99 - 19 - ~9133=2, 2.1/9142=2...(10) HB3 GLU 122 - HG2 PRO 98 lone 6 85 - 7 - HB3 MET 11 - HG2 PRO 98 lone 3 81 - 4 - Peak 3277 from cnoeabs.peaks (2.04, 2.04, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 98 + HG2 PRO 98 OK 100 100 - 100 Peak 3278 from cnoeabs.peaks (2.06, 2.04, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HG2 PRO 98 + HG2 PRO 98 OK 77 77 - 100 Reference assignment not found: HG3 PRO 98 - HG2 PRO 98 Peak 3279 from cnoeabs.peaks (3.42, 2.04, 27.30 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 TYR 112 - HG2 PRO 98 OK 31 68 - 45 - 3247/2.3=8, 3263/2.3=7...(18) Peak 3280 from cnoeabs.peaks (3.90, 2.04, 27.30 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HA TYR 112 - HG2 PRO 98 OK 31 68 - 46 - 3240/2.3=6, 2.9/3279=6...(19) HA MET 46 - HG2 PRO 98 OK 31 100 - 31 - 3240/2.3=7, 3264/2.3=5...(9) Peak 3282 from cnoeabs.peaks (4.55, 2.06, 27.30 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.97: HA LEU 97 + HG3 PRO 98 OK 83 98 - 85 - 3231/2.3=22, 3233/2.3=18...(22) * HA PRO 98 + HG3 PRO 98 OK 83 100 - 83 - 3.8=67, 3242/2.3=15...(8) HA GLU 28 - HG3 PRO 98 OK 18 100 - 18 - 3266/2.3=5, 3258/2.3=5...(4) HA MET 59 - HG3 PRO 98 OK 12 72 - 17 - 3230/2.3=4, 3232/2.3=4...(5) Peak 3283 from cnoeabs.peaks (2.35, 2.06, 27.30 ppm; 3.16 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 GLN 47 + HG3 PRO 98 OK 53 81 - 65 - 3267/2.3=7, 2.9/10472=7...(23) HB2 GLN 47 + HG3 PRO 98 OK 52 81 - 64 - 1103/2.3=7, 3267/2.3=7...(23) HE2 LYS 123 - HG3 PRO 98 OK 44 98 - 45 - 9469=11, 3267/2.3=5...(15) Peak 3284 from cnoeabs.peaks (1.95, 2.06, 27.30 ppm; 2.81 A): 4 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HG3 PRO 98 OK 53 72 - 74 - 1.8/1374=7, 2.3/1358=7...(57) HB3 PRO 52 + HG3 PRO 98 OK 52 68 - 78 - 2.3/1366=7, 1358=7...(51) HB2 LYS 34 + HG3 PRO 98 OK 45 77 - 59 - 2.9/10142=5, ~9131=5...(35) HB2 LYS 61 - HG3 PRO 98 OK 26 96 - 27 - 3260/2.3=3, ~1673=3...(14) HB ILE 56 - HG3 PRO 98 OK 17 99 - 17 - ~9133=2, 3236/2.3=2...(9) HB3 GLU 122 - HG3 PRO 98 lone 6 85 - 7 - HB3 MET 11 - HG3 PRO 98 lone 3 81 - 4 - Peak 3285 from cnoeabs.peaks (2.04, 2.06, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HG3 PRO 98 + HG3 PRO 98 OK 77 77 - 100 Reference assignment not found: HG2 PRO 98 - HG3 PRO 98 Peak 3286 from cnoeabs.peaks (2.06, 2.06, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 98 + HG3 PRO 98 OK 100 100 - 100 Peak 3287 from cnoeabs.peaks (3.42, 2.06, 27.30 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 TYR 112 - HG3 PRO 98 OK 31 68 - 45 - 3247/2.3=8, 3263/2.3=7...(18) Peak 3288 from cnoeabs.peaks (3.90, 2.06, 27.30 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HA TYR 112 - HG3 PRO 98 OK 31 68 - 46 - 3240/2.3=6, 2.9/3287=6...(19) HA MET 46 - HG3 PRO 98 OK 30 100 - 30 - 3240/2.3=7, 3264/2.3=5...(8) Peak 3290 from cnoeabs.peaks (8.31, 4.10, 62.91 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * H THR 99 + HA THR 99 OK 100 100 - 100 - 3.0=100 H THR 99 - HA PRO 52 OK 41 82 - 50 - 7169=14, 3.6/9158=8...(15) H ASN 128 - HA THR 99 OK 14 92 - 15 - 3300/3.2=4, 10155/3.6=4...(4) H THR 18 - HA THR 99 lone 4 81 - 5 - 3295/3.0=2 H ASN 128 - HA PRO 52 lone 2 70 - 3 - H THR 18 - HA PRO 52 lone 1 60 - 1 - Peak 3291 from cnoeabs.peaks (4.10, 4.10, 62.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 99 + HA THR 99 OK 100 100 - 100 HA PRO 52 + HA PRO 52 OK 78 78 - 100 Peak 3292 from cnoeabs.peaks (4.27, 4.10, 62.91 ppm; 2.74 A): 3 out of 18 assignments used, quality = 0.92: * HB THR 99 + HA THR 99 OK 89 100 - 89 - 3.0=75, 2.1/3301=24...(13) HB THR 99 + HA PRO 52 OK 19 82 - 23 - 3296=9, 2.1/3301=6...(6) HA2 GLY 50 + HA PRO 52 OK 16 81 - 20 - 9831/3.6=7, ~10642=3...(6) HA2 GLY 50 - HA THR 99 lone 7 100 - 7 - 3302/3.2=1, ~10160=1 HA SER 138 - HA THR 99 lone 5 100 - 5 - 3302/3.2=1 HA ALA 135 - HA THR 99 lone 5 99 - 5 - ~9626=1 HA LEU 95 - HA THR 99 lone 4 96 - 4 - HA PRO 118 - HA PRO 52 lone 3 45 - 7 - 2.3/10456=2 HA ARG 140 - HA THR 99 lone 3 81 - 3 - HA ARG 49 - HA THR 99 lone 2 94 - 2 - HA PRO 118 - HA THR 99 lone 1 62 - 2 - HA ARG 140 - HA PRO 52 lone 1 60 - 2 - HA SER 138 - HA PRO 52 lone 1 82 - 1 - HA LEU 95 - HA PRO 52 lone 1 76 - 1 - HA ALA 135 - HA PRO 52 lone 0 79 - 1 - HA3 GLY 78 - HA THR 99 lone 0 68 - 1 - HA ARG 49 - HA PRO 52 lone 0 73 - 1 - HA3 GLY 78 - HA PRO 52 lone 0 49 - 0 - Peak 3293 from cnoeabs.peaks (1.26, 4.10, 62.91 ppm; 2.98 A): 2 out of 12 assignments used, quality = 0.95: * QG2 THR 99 + HA THR 99 OK 92 100 - 92 - 3.2=80, 2.1/3292=29...(12) HB3 LEU 97 + HA THR 99 OK 38 100 - 38 - 3298/3.0=5, 3.2/9148=4...(20) QG2 THR 99 - HA PRO 52 OK 25 82 - 31 - 3301=10, 2.1/3296=6...(9) HB2 LEU 132 - HA THR 99 OK 19 100 - 19 - 4478/3.6=3, 9161/4.8=3...(7) HG3 LYS 61 - HA THR 99 OK 11 100 - 11 - 7171/3.0=2, 7177/3.6=1...(4) HG2 LYS 61 - HA THR 99 OK 10 96 - 11 - 7171/3.0=2, 7177/3.6=1...(4) HB2 LEU 132 - HA PRO 52 lone 6 82 - 8 - QG2 THR 102 - HA THR 99 lone 3 89 - 4 - HB3 LEU 97 - HA PRO 52 lone 3 82 - 3 - HG2 LYS 61 - HA PRO 52 lone 1 76 - 1 - HG3 LYS 61 - HA PRO 52 lone 1 82 - 1 - QG2 THR 102 - HA PRO 52 lone 0 67 - 0 - Peak 3294 from cnoeabs.peaks (7.73, 4.10, 62.91 ppm; 3.89 A): 1 out of 8 assignments used, quality = 1.00: * H SER 100 + HA THR 99 OK 100 100 - 100 - 3.6=100 H SER 100 - HA PRO 52 OK 24 82 - 30 - 7175=9, 4.6/7169=6...(6) H LEU 132 - HA THR 99 OK 21 100 - 21 - 10150/3.2=5, 3.6/3293=3...(6) H GLN 62 - HA PRO 52 OK 12 82 - 15 - ~1751=3, 6586/2.3=2...(7) HD21 ASN 128 - HA THR 99 OK 11 92 - 12 - 7604/3.0=3, 10150/3.2=2...(5) H GLN 62 - HA THR 99 OK 11 100 - 11 - 10150/3.2=3, 3305/4.8=2 H LEU 132 - HA PRO 52 OK 10 82 - 12 - 7657/3.6=6, 7667/2.3=1 HD21 ASN 128 - HA PRO 52 lone 1 70 - 2 - Peak 3295 from cnoeabs.peaks (8.31, 4.27, 68.69 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * H THR 99 + HB THR 99 OK 100 100 - 100 - 3.8=100 H ASN 128 - HB THR 99 OK 13 92 - 14 - 3300/2.1=6, 10155/4.4=3 H THR 18 - HB THR 99 lone 7 81 - 9 - 3.6/10862=5, 3300/2.1=1 Peak 3296 from cnoeabs.peaks (4.10, 4.27, 68.69 ppm; 2.69 A): 2 out of 4 assignments used, quality = 0.89: * HA THR 99 + HB THR 99 OK 86 100 - 86 - 3.0=70, 3301/2.1=23...(13) HA PRO 52 + HB THR 99 OK 20 98 - 20 - 3292=6, 3301/2.1=5...(6) HB THR 110 - HB THR 99 lone 5 99 - 5 - 3301/2.1=2, ~10160=1 HD3 PRO 33 - HB THR 99 lone 2 89 - 2 - Peak 3297 from cnoeabs.peaks (4.27, 4.27, 68.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 99 + HB THR 99 OK 100 100 - 100 Peak 3298 from cnoeabs.peaks (1.26, 4.27, 68.69 ppm; 2.65 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 99 + HB THR 99 OK 100 100 - 100 - 2.1=100 HB3 LEU 97 - HB THR 99 OK 35 100 - 35 - 3.0/9159=5, 3293/3.0=4...(17) HB2 LEU 132 - HB THR 99 OK 15 100 - 15 - 3293/3.0=2, 4478/4.4=2...(5) HG3 LYS 61 - HB THR 99 lone 7 100 - 7 - 3293/3.0=1 HG2 LYS 61 - HB THR 99 lone 7 96 - 7 - QG2 THR 102 - HB THR 99 lone 3 89 - 3 - Peak 3300 from cnoeabs.peaks (8.31, 1.26, 21.65 ppm; 3.28 A): 2 out of 3 assignments used, quality = 0.88: * H THR 99 + QG2 THR 99 OK 86 100 - 86 - 4.0=56, 3.0/3301=25...(10) H ASN 128 + QG2 THR 99 OK 15 92 - 16 - 4.7/10159=4, 3295/2.1=3...(5) H THR 18 - QG2 THR 99 lone 3 81 - 4 - 3295/2.1=2 Peak 3301 from cnoeabs.peaks (4.10, 1.26, 21.65 ppm; 2.77 A): 2 out of 4 assignments used, quality = 0.87: * HA THR 99 + QG2 THR 99 OK 84 100 - 84 - 3.2=64, 3292/2.1=26...(12) HA PRO 52 + QG2 THR 99 OK 23 98 - 24 - 3296/2.1=5, 3293=5...(7) HB THR 110 - QG2 THR 99 lone 6 99 - 6 - 3.0/10160=2, 3296/2.1=1 HD3 PRO 33 - QG2 THR 99 lone 2 89 - 3 - Peak 3302 from cnoeabs.peaks (4.27, 1.26, 21.65 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 99 + QG2 THR 99 OK 100 100 - 100 - 2.1=100 HA SER 138 - QG2 THR 99 lone 9 100 - 9 - 3.0/10159=2, 3.0/10159=2 HA2 GLY 50 - QG2 THR 99 lone 7 100 - 7 - 1.8/10160=2 HA ALA 135 - QG2 THR 99 lone 6 99 - 6 - 2.1/9626=2 HA LEU 95 - QG2 THR 99 lone 5 96 - 5 - HA ARG 140 - QG2 THR 99 lone 4 81 - 5 - 3.0/9152=2 HA ARG 49 - QG2 THR 99 lone 3 94 - 3 - HA PRO 118 - QG2 THR 99 lone 2 62 - 3 - 3.6/10160=1 HA3 GLY 78 - QG2 THR 99 lone 0 68 - 1 - Peak 3303 from cnoeabs.peaks (1.26, 1.26, 21.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 99 + QG2 THR 99 OK 100 100 - 100 Peak 3305 from cnoeabs.peaks (7.73, 4.30, 57.98 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * H SER 100 + HA SER 100 OK 100 100 - 100 - 2.9=100 H LEU 132 - HA SER 100 OK 26 100 - 26 - 3.6/9161=8, 3310/3.0=5...(7) H GLN 62 - HA SER 100 OK 17 100 - 17 - 3315/3.0=3, 3310/3.0=3...(6) HD21 ASN 128 - HA SER 100 lone 6 92 - 7 - 3294/4.8=1 Peak 3306 from cnoeabs.peaks (4.30, 4.30, 57.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 100 + HA SER 100 OK 100 100 - 100 Peak 3307 from cnoeabs.peaks (3.83, 4.30, 57.98 ppm; 2.94 A): 1 out of 8 assignments used, quality = 0.98: * HB2 SER 100 + HA SER 100 OK 98 100 - 98 - 3.0=94, 1.8/3316=33...(13) HD2 PRO 118 - HA SER 100 OK 12 100 - 12 - 7179/2.9=2, 3317/3.0=2...(4) HA GLN 133 - HA SER 100 OK 11 100 - 11 - 7179/2.9=3, 7185/3.6=2...(4) HA ALA 104 - HA SER 100 OK 10 89 - 12 - 7185/3.6=2, 3403/3.0=2...(5) HA LEU 66 - HA SER 100 lone 6 94 - 6 - HB2 SER 127 - HA SER 100 lone 4 77 - 6 - 7179/2.9=1 HA MET 68 - HA SER 100 lone 4 81 - 5 - HA3 GLY 50 - HA SER 100 lone 3 85 - 3 - Peak 3308 from cnoeabs.peaks (4.01, 4.30, 57.98 ppm; 2.81 A): 2 out of 13 assignments used, quality = 0.94: * HB3 SER 100 + HA SER 100 OK 92 100 - 92 - 3.0=82, 1.8/3307=28...(11) HB THR 107 + HA SER 100 OK 17 98 - 17 - 3453/3.0=4, ~10473=3...(8) HA LEU 69 - HA SER 100 poor 7 68 - 11 - 3313/3.0=2 HA VAL 63 - HA SER 100 poor 7 68 - 10 - 3316=2, 3313/3.0=2, ~9165=1 HA LYS 123 - HA SER 100 lone 4 94 - 4 - 7180/2.9=1 HB2 SER 103 - HA SER 100 lone 3 100 - 3 - HA MET 113 - HA SER 100 lone 2 72 - 2 - HA GLU 122 - HA SER 100 lone 2 72 - 2 - HB2 SER 138 - HA SER 100 lone 1 68 - 2 - HA GLU 81 - HA SER 100 lone 1 85 - 2 - HB3 SER 138 - HA SER 100 lone 1 68 - 2 - HA GLU 37 - HA SER 100 lone 1 89 - 1 - HA LYS 114 - HA SER 100 lone 1 72 - 1 - Peak 3309 from cnoeabs.peaks (7.43, 4.30, 57.98 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 101 + HA SER 100 OK 100 100 - 100 - 3.6=100 HD22 ASN 84 - HA SER 100 OK 17 100 - 17 - 7181/2.9=5, 10166/3.0=4...(4) Peak 3310 from cnoeabs.peaks (7.73, 3.83, 62.85 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * H SER 100 + HB2 SER 100 OK 100 100 - 100 - 4.1=100 H LEU 132 - HB2 SER 100 OK 32 100 - 32 - 3315/1.8=6, 3305/3.0=6...(10) H GLN 62 - HB2 SER 100 OK 20 100 - 20 - 3315/1.8=5, ~10125=4...(5) HD21 ASN 128 - HB2 SER 100 lone 5 92 - 6 - 3305/3.0=1, 3315/1.8=1 Peak 3311 from cnoeabs.peaks (4.30, 3.83, 62.85 ppm; 2.84 A): 1 out of 4 assignments used, quality = 0.94: * HA SER 100 + HB2 SER 100 OK 94 100 - 94 - 3.0=85, 3316/1.8=32...(13) HA ARG 89 - HB2 SER 100 lone 7 89 - 8 - 3316/1.8=2, 7178/4.1=1 HA ILE 56 - HB2 SER 100 lone 6 94 - 6 - 3316/1.8=2 HA THR 18 - HB2 SER 100 lone 1 72 - 2 - Peak 3312 from cnoeabs.peaks (3.83, 3.83, 62.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 100 + HB2 SER 100 OK 100 100 - 100 Peak 3313 from cnoeabs.peaks (4.01, 3.83, 62.85 ppm; 2.50 A): 1 out of 13 assignments used, quality = 1.00: * HB3 SER 100 + HB2 SER 100 OK 100 100 - 100 - 1.8=100 HB THR 107 - HB2 SER 100 OK 19 98 - 20 - 2.1/11044=4, ~10473=4...(8) HA LEU 69 - HB2 SER 100 poor 8 68 - 12 - 3.9/8462=2, 4.1/8465=2...(5) HA VAL 63 - HB2 SER 100 lone 7 68 - 10 - 3317=2, 3.2/9165=2, 3308/3.0=1 HA LYS 123 - HB2 SER 100 lone 4 94 - 4 - HB2 SER 103 - HB2 SER 100 lone 3 100 - 3 - HA MET 113 - HB2 SER 100 lone 2 72 - 3 - HA GLU 122 - HB2 SER 100 lone 2 72 - 2 - HA GLU 81 - HB2 SER 100 lone 1 85 - 1 - HA GLU 37 - HB2 SER 100 lone 1 89 - 1 - HB3 SER 138 - HB2 SER 100 lone 1 68 - 1 - HB2 SER 138 - HB2 SER 100 lone 1 68 - 1 - HA LYS 114 - HB2 SER 100 lone 1 72 - 1 - Peak 3314 from cnoeabs.peaks (7.43, 3.83, 62.85 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 101 + HB2 SER 100 OK 100 100 - 100 - 4.5=100 HD22 ASN 84 - HB2 SER 100 OK 24 100 - 24 - 10166/1.8=9, 7181/4.1=7 Peak 3315 from cnoeabs.peaks (7.73, 4.01, 62.85 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.97: * H SER 100 + HB3 SER 100 OK 97 100 - 97 - 4.1=85, 2.9/3316=35...(9) H LEU 132 - HB3 SER 100 OK 18 100 - 19 - 3310/1.8=7, 3305/3.0=5...(4) H GLN 62 - HB3 SER 100 OK 16 100 - 16 - 2.9/10125=6, 3310/1.8=4...(4) HD21 ASN 128 - HB3 SER 100 lone 4 92 - 4 - 3305/3.0=1, 3310/1.8=1 Peak 3316 from cnoeabs.peaks (4.30, 4.01, 62.85 ppm; 2.62 A): 1 out of 4 assignments used, quality = 0.83: * HA SER 100 + HB3 SER 100 OK 83 100 - 83 - 3.0=67, 3307/1.8=25...(11) HA ARG 89 - HB3 SER 100 lone 6 89 - 6 - 3311/1.8=2, 7178/4.1=1 HA ILE 56 - HB3 SER 100 lone 5 94 - 5 - 3311/1.8=2 HA THR 18 - HB3 SER 100 lone 1 72 - 1 - Peak 3317 from cnoeabs.peaks (3.83, 4.01, 62.85 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 100 + HB3 SER 100 OK 100 100 - 100 - 1.8=100 HA ALA 104 - HB3 SER 100 lone 9 89 - 10 - 2.1/9203=2, 3403=2...(4) HD2 PRO 118 - HB3 SER 100 lone 8 100 - 8 - 3307/3.0=1 HA GLN 133 - HB3 SER 100 lone 6 100 - 6 - 7179/4.1=1, 3307/3.0=1 HA LEU 66 - HB3 SER 100 lone 3 94 - 3 - HA MET 68 - HB3 SER 100 lone 3 81 - 3 - HB2 SER 127 - HB3 SER 100 lone 2 77 - 3 - HA3 GLY 50 - HB3 SER 100 lone 2 85 - 2 - Peak 3318 from cnoeabs.peaks (4.01, 4.01, 62.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 100 + HB3 SER 100 OK 100 100 - 100 Peak 3320 from cnoeabs.peaks (7.43, 4.21, 60.96 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 101 + HA ILE 101 OK 100 100 - 100 - 3.0=100 H ILE 101 - HA PHE 45 OK 39 92 - 42 - 7187=9, 3.9/3329=3...(22) HD22 ASN 84 - HA ILE 101 OK 29 100 - 29 - 3328/3.0=7, 3336/3.2=7...(6) HD22 ASN 84 - HA PHE 45 lone 2 91 - 2 - Peak 3321 from cnoeabs.peaks (4.21, 4.21, 60.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 101 + HA ILE 101 OK 100 100 - 100 HA PHE 45 + HA PHE 45 OK 87 87 - 100 Peak 3322 from cnoeabs.peaks (1.90, 4.21, 60.96 ppm; 3.08 A): 1 out of 24 assignments used, quality = 1.00: * HB ILE 101 + HA ILE 101 OK 100 100 - 100 - 3.0=100 HB2 LYS 24 - HA ILE 101 OK 33 100 - 33 - 11349/3.0=7, ~11352=6...(11) HB ILE 136 - HA ILE 101 OK 33 81 - 40 - 2.1/3326=4, 4606/3.2=4...(22) HB ILE 101 - HA PHE 45 OK 32 92 - 35 - 3329=6, 2.1/3337=4...(19) HB3 LYS 93 - HA ILE 101 OK 24 85 - 28 - 3035=4, 1.8/3023=3...(12) HB3 ARG 140 - HA ILE 101 OK 21 89 - 24 - 3338/3.2=2, 2.9/11215=2...(12) HB3 LEU 69 - HA ILE 101 OK 17 99 - 17 - 3.2/9933=2, 7188/3.0=1...(7) HB3 GLN 111 - HA ILE 101 OK 12 100 - 12 - ~11023=1, 3338/3.2=1 HB3 ARG 89 - HA ILE 101 OK 11 100 - 11 - 3338/3.2=1, 7188/3.0=1 HB3 LEU 69 - HA PHE 45 lone 8 89 - 9 - ~9880=3, 3.2/9933=3, 3.0/1020=1 HB3 LYS 93 - HA PHE 45 poor 8 73 - 10 - 3035=2, 1.8/3023=1 HG13 ILE 83 - HA ILE 101 lone 5 72 - 7 - ~10133=1 QE MET 68 - HA ILE 101 lone 5 96 - 5 - HB3 ARG 141 - HA ILE 101 lone 3 72 - 4 - HB ILE 136 - HA PHE 45 lone 3 69 - 4 - HB2 LYS 86 - HA ILE 101 lone 3 62 - 4 - 4.6/8905=2 HB2 LYS 24 - HA PHE 45 lone 2 92 - 3 - HB3 ARG 140 - HA PHE 45 lone 2 77 - 2 - QE MET 68 - HA PHE 45 lone 2 85 - 2 - HB3 GLN 111 - HA PHE 45 lone 2 90 - 2 - HB3 ARG 89 - HA PHE 45 lone 1 92 - 1 - HB3 ARG 141 - HA PHE 45 lone 1 61 - 1 - HB2 LYS 86 - HA PHE 45 lone 1 52 - 1 - HG13 ILE 83 - HA PHE 45 lone 0 61 - 1 - Peak 3323 from cnoeabs.peaks (0.88, 4.21, 60.96 ppm; 2.73 A): 2 out of 12 assignments used, quality = 0.97: * QG2 ILE 101 + HA ILE 101 OK 87 100 - 87 - 3.2=62, 3336/3.0=10...(33) QD1 ILE 101 + HA ILE 101 OK 78 100 - 78 - 4.1=29, 2.1/3324=11...(28) QD1 LEU 97 - HA ILE 101 OK 30 100 - 30 - 2.1/9122=5, 10134/3.6=3...(13) QG2 ILE 136 - HA ILE 101 OK 30 100 - 30 - 3331/3.0=3, 4.3/7756=2...(12) QG2 ILE 101 - HA PHE 45 OK 24 92 - 27 - 3337=5, 2.1/3329=3...(10) HB3 LEU 42 - HA PHE 45 OK 21 57 - 37 - ~917=5, ~919=4, ~1022=4...(15) QD1 ILE 101 - HA PHE 45 OK 13 90 - 15 - 3361=2, 3.1/3337=2...(7) QG2 VAL 80 - HA ILE 101 lone 6 81 - 8 - ~8766=2, 7192/3.0=1 QG2 ILE 136 - HA PHE 45 lone 4 92 - 4 - QD1 LEU 97 - HA PHE 45 lone 3 91 - 3 - HB3 LEU 42 - HA ILE 101 lone 2 68 - 2 - QG2 VAL 80 - HA PHE 45 lone 0 69 - 1 - Peak 3324 from cnoeabs.peaks (1.23, 4.21, 60.96 ppm; 3.36 A): 1 out of 8 assignments used, quality = 0.96: * HG12 ILE 101 + HA ILE 101 OK 96 100 - 96 - 3.8=70, 3344/3.0=17...(26) HB3 LEU 87 - HA ILE 101 OK 35 100 - 35 - 3340/3.2=7, 3332/3.0=6...(12) QG2 THR 107 - HA ILE 101 OK 21 81 - 26 - 9245/3.2=4, 11043/3.0=3...(10) HG12 ILE 101 - HA PHE 45 OK 18 92 - 20 - 3345=4, 3.0/3329=4...(6) HD3 LYS 123 - HA ILE 101 OK 17 77 - 22 - 3332/3.0=4, 3340/3.2=4...(7) HB3 LEU 87 - HA PHE 45 lone 3 91 - 3 - QG2 THR 107 - HA PHE 45 lone 3 69 - 4 - 4.4/1019=1 HD3 LYS 123 - HA PHE 45 lone 2 65 - 3 - Peak 3325 from cnoeabs.peaks (1.49, 4.21, 60.96 ppm; 3.55 A): 1 out of 10 assignments used, quality = 0.98: * HG13 ILE 101 + HA ILE 101 OK 98 100 - 98 - 3.8=83, 3352/3.0=21...(27) QB ALA 134 - HA ILE 101 OK 36 81 - 44 - 3333/3.0=6, 2.9/7722=6...(16) HG2 LYS 34 - HA ILE 101 OK 29 89 - 33 - 3341/3.2=6, 3333/3.0=5...(11) HG13 ILE 101 - HA PHE 45 OK 21 92 - 23 - 3353=4, 3.0/3329=4...(7) HD3 LYS 114 - HA ILE 101 OK 16 100 - 16 - 3333/3.0=3, 3341/3.2=3...(5) HB3 LEU 29 - HA ILE 101 OK 14 100 - 14 - 7191/3.0=4, 3333/3.0=3...(5) QB ALA 134 - HA PHE 45 lone 5 69 - 8 - HG2 LYS 34 - HA PHE 45 lone 2 77 - 3 - HD3 LYS 114 - HA PHE 45 lone 2 91 - 2 - HB3 LEU 29 - HA PHE 45 lone 1 90 - 1 - Peak 3326 from cnoeabs.peaks (0.89, 4.21, 60.96 ppm; 2.73 A): 2 out of 10 assignments used, quality = 0.97: QG2 ILE 101 + HA ILE 101 OK 86 100 - 87 - 3.2=62, 3336/3.0=10...(33) * QD1 ILE 101 + HA ILE 101 OK 78 100 - 78 - 4.1=29, 2.1/3324=11...(28) QG2 ILE 136 - HA ILE 101 OK 30 100 - 30 - 3334/3.0=3, 4.3/7756=2...(12) QD1 LEU 97 - HA ILE 101 OK 29 98 - 30 - 2.1/9122=5, 10134/3.6=3...(13) QG2 ILE 101 - HA PHE 45 OK 24 90 - 26 - 3337=5, 2.1/3329=3...(10) QD1 ILE 101 - HA PHE 45 OK 14 92 - 15 - 3361=2, 3.1/3337=2...(7) QG2 VAL 80 - HA ILE 101 lone 7 92 - 8 - ~8766=2, 7192/3.0=1 QG2 ILE 136 - HA PHE 45 lone 4 90 - 4 - QD1 LEU 97 - HA PHE 45 lone 2 87 - 3 - QG2 VAL 80 - HA PHE 45 lone 1 80 - 1 - Peak 3327 from cnoeabs.peaks (8.24, 4.21, 60.96 ppm; 3.77 A): 1 out of 6 assignments used, quality = 1.00: * H THR 102 + HA ILE 101 OK 100 100 - 100 - 3.6=100 H ALA 105 - HA ILE 101 OK 29 81 - 35 - 3343/3.2=9, 10172/4.1=7...(8) H THR 102 - HA PHE 45 OK 23 92 - 24 - 7202=4, 4.6/3320=4...(11) H ALA 105 - HA PHE 45 OK 12 69 - 17 - ~10159=5, ~10206=3...(6) H GLY 125 - HA ILE 101 lone 1 62 - 2 - H GLY 125 - HA PHE 45 lone 0 52 - 1 - Peak 3328 from cnoeabs.peaks (7.43, 1.90, 37.21 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.94: * H ILE 101 + HB ILE 101 OK 94 100 - 94 - 3.9=70, 3336/2.1=22...(24) HD22 ASN 84 - HB ILE 101 OK 31 100 - 31 - 3336/2.1=8, 3352/3.0=7...(5) Peak 3329 from cnoeabs.peaks (4.21, 1.90, 37.21 ppm; 3.46 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 101 + HB ILE 101 OK 100 100 - 100 - 3.0=100 HA THR 102 + HB ILE 101 OK 63 100 - 63 - 3.2/10127=9, ~3343=9...(23) HA ALA 134 + HB ILE 101 OK 55 100 - 56 - 2.1/3333=7, 3337/2.1=7...(24) HA PHE 45 - HB ILE 101 OK 41 98 - 42 - 3322=5, 3337/2.1=5...(21) HA LYS 93 - HB ILE 101 OK 34 98 - 35 - 3013=3, 3337/2.1=3...(12) HA LYS 85 - HB ILE 101 poor 9 81 - 11 - ~10179=2, 3361/3.2=1, 3337/2.1=1 HA PHE 43 - HB ILE 101 lone 4 62 - 6 - 10829/10127=1 Peak 3330 from cnoeabs.peaks (1.90, 1.90, 37.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 101 + HB ILE 101 OK 100 100 - 100 Peak 3331 from cnoeabs.peaks (0.88, 1.90, 37.21 ppm; 2.59 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 101 + HB ILE 101 OK 100 100 - 100 - 2.1=100 QD1 ILE 101 + HB ILE 101 OK 82 100 - 82 - 3.2=51, 3360/3.9=6...(32) QG2 ILE 136 - HB ILE 101 OK 36 100 - 36 - 3347/3.0=2, 4613=2...(17) QD1 LEU 97 - HB ILE 101 OK 36 100 - 36 - 2.1/10108=5, 10109=3...(18) QG2 VAL 80 - HB ILE 101 lone 6 81 - 8 - HB3 LEU 42 - HB ILE 101 lone 2 68 - 4 - Peak 3332 from cnoeabs.peaks (1.23, 1.90, 37.21 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 101 + HB ILE 101 OK 100 100 - 100 - 3.0=100 HB3 LEU 87 + HB ILE 101 OK 54 100 - 54 - 3340/2.1=9, 3364/3.2=7...(22) HD3 LYS 123 - HB ILE 101 OK 37 77 - 48 - 3340/2.1=6, 3356/3.0=6...(23) QG2 THR 107 - HB ILE 101 OK 28 81 - 35 - 9245/2.1=6, 11043=4...(13) Peak 3333 from cnoeabs.peaks (1.49, 1.90, 37.21 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 101 + HB ILE 101 OK 100 100 - 100 - 3.0=100 HG2 LYS 34 - HB ILE 101 OK 44 89 - 50 - 3341/2.1=7, 2.9/10534=6...(20) QB ALA 134 - HB ILE 101 OK 43 81 - 54 - 3341/2.1=7, 2.1/3329=6...(24) HD3 LYS 114 - HB ILE 101 OK 25 100 - 25 - 3341/2.1=4, 3349/3.0=3...(13) HB3 LEU 29 - HB ILE 101 OK 21 100 - 21 - 3341/2.1=3, 7191/3.9=2...(7) Peak 3334 from cnoeabs.peaks (0.89, 1.90, 37.21 ppm; 2.59 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 101 + HB ILE 101 OK 100 100 - 100 - 2.1=100 * QD1 ILE 101 + HB ILE 101 OK 82 100 - 82 - 3.2=51, 3360/3.9=6...(32) QG2 ILE 136 - HB ILE 101 OK 36 100 - 36 - 3350/3.0=2, 4613=2...(17) QD1 LEU 97 - HB ILE 101 OK 35 98 - 35 - 2.1/10108=5, 10109=3...(18) QG2 VAL 80 - HB ILE 101 lone 8 92 - 8 - Peak 3335 from cnoeabs.peaks (8.24, 1.90, 37.21 ppm; 5.92 A): 2 out of 3 assignments used, quality = 1.00: * H THR 102 + HB ILE 101 OK 100 100 - 100 - 4.3=100 H ALA 105 + HB ILE 101 OK 66 81 - 82 - 3.7/10127=32...(12) H GLY 125 - HB ILE 101 lone 2 62 - 3 - Peak 3336 from cnoeabs.peaks (7.43, 0.88, 17.37 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.98: * H ILE 101 + QG2 ILE 101 OK 98 100 - 98 - 4.0=85, 3328/2.1=28...(27) HD22 ASN 84 - QG2 ILE 101 OK 36 100 - 36 - 3328/2.1=9, 3360/3.1=8...(6) Peak 3337 from cnoeabs.peaks (4.21, 0.88, 17.37 ppm; 2.87 A): 2 out of 7 assignments used, quality = 0.96: * HA ILE 101 + QG2 ILE 101 OK 92 100 - 92 - 3.2=72, 3.0/3336=12...(37) HA THR 102 + QG2 ILE 101 OK 52 100 - 52 - 3.0/3343=11, 3329/2.1=5...(24) HA ALA 134 - QG2 ILE 101 OK 43 100 - 44 - 2.1/3341=5, 3329/2.1=5...(23) HA PHE 45 - QG2 ILE 101 OK 28 98 - 29 - 3326=4, 3329/2.1=3...(16) HA LYS 93 - QG2 ILE 101 OK 20 98 - 21 - 3329/2.1=3, 3361/3.1=2...(8) HA LYS 85 - QG2 ILE 101 lone 6 81 - 7 - HA PHE 43 - QG2 ILE 101 lone 3 62 - 5 - Peak 3338 from cnoeabs.peaks (1.90, 0.88, 17.37 ppm; 2.54 A): 1 out of 12 assignments used, quality = 1.00: * HB ILE 101 + QG2 ILE 101 OK 100 100 - 100 - 2.1=100 HB ILE 136 - QG2 ILE 101 OK 36 81 - 44 - 2.5/4638=5, 4606=5...(15) HB2 LYS 24 - QG2 ILE 101 OK 30 100 - 30 - 3.0/10133=5, 11349/4.0=4...(10) HB3 ARG 140 - QG2 ILE 101 OK 21 89 - 24 - 2.9/11575=3, 2.9/11015=2...(8) HB3 LYS 93 - QG2 ILE 101 OK 16 85 - 18 - 3.0/3337=1, 3035/3.2=1 HB3 LEU 69 - QG2 ILE 101 OK 14 99 - 15 - 3354/3.2=1 HB3 ARG 89 - QG2 ILE 101 OK 13 100 - 13 - 3.5/10143=2, 3.5/10143=1 HB3 GLN 111 - QG2 ILE 101 OK 12 100 - 12 - 1.8/1459=2 HG13 ILE 83 - QG2 ILE 101 poor 8 72 - 11 - 1.8/10133=3, ~10177=1 QE MET 68 - QG2 ILE 101 lone 7 96 - 7 - 4.6/8436=1 HB3 ARG 141 - QG2 ILE 101 lone 3 72 - 5 - HB2 LYS 86 - QG2 ILE 101 lone 2 62 - 2 - Peak 3339 from cnoeabs.peaks (0.88, 0.88, 17.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 101 + QG2 ILE 101 OK 100 100 - 100 Peak 3340 from cnoeabs.peaks (1.23, 0.88, 17.37 ppm; 2.74 A): 2 out of 4 assignments used, quality = 0.93: * HG12 ILE 101 + QG2 ILE 101 OK 88 100 - 88 - 3.2=63, 1.8/3341=13...(33) HB3 LEU 87 + QG2 ILE 101 OK 40 100 - 40 - 3.0/10133=9, 3332/2.1=5...(15) HD3 LYS 123 - QG2 ILE 101 OK 25 77 - 32 - 3347=4, 3332/2.1=4...(14) QG2 THR 107 - QG2 ILE 101 OK 20 81 - 24 - 9245=4, 2.1/10429=3...(9) Peak 3341 from cnoeabs.peaks (1.49, 0.88, 17.37 ppm; 3.01 A): 1 out of 5 assignments used, quality = 0.96: * HG13 ILE 101 + QG2 ILE 101 OK 96 100 - 96 - 3.2=84, 1.8/3340=19...(34) HG2 LYS 34 - QG2 ILE 101 OK 40 89 - 46 - 3333/2.1=5, 3365/3.1=4...(20) QB ALA 134 - QG2 ILE 101 OK 38 81 - 47 - 3333/2.1=6, 2.1/3337=6...(23) HD3 LYS 114 - QG2 ILE 101 OK 21 100 - 21 - 3333/2.1=3, 3365/3.1=3...(7) HB3 LEU 29 - QG2 ILE 101 OK 17 100 - 17 - 3333/2.1=2, 7191/4.0=2...(6) Peak 3342 from cnoeabs.peaks (0.89, 0.88, 17.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 101 + QG2 ILE 101 OK 100 100 - 100 Reference assignment not found: QD1 ILE 101 - QG2 ILE 101 Peak 3343 from cnoeabs.peaks (8.24, 0.88, 17.37 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.95: * H THR 102 + QG2 ILE 101 OK 91 100 - 91 - 4.1=76, 4.6/3336=13...(19) H ALA 105 + QG2 ILE 101 OK 45 81 - 55 - 3.6/9169=9, 3.7/9195=8...(13) H GLY 125 - QG2 ILE 101 lone 2 62 - 3 - Peak 3344 from cnoeabs.peaks (7.43, 1.23, 26.96 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.96: * H ILE 101 + HG12 ILE 101 OK 94 100 - 94 - 4.7=51, 3352/1.8=29...(21) HD22 ASN 84 + HG12 ILE 101 OK 34 100 - 34 - 3352/1.8=10, 3360/2.1=10...(5) Peak 3345 from cnoeabs.peaks (4.21, 1.23, 26.96 ppm; 3.41 A): 3 out of 7 assignments used, quality = 0.99: * HA ILE 101 + HG12 ILE 101 OK 96 100 - 96 - 3.8=74, 3.0/3344=18...(27) HA THR 102 + HG12 ILE 101 OK 53 100 - 53 - 3.0/10173=9, 9189/2.1=8...(16) HA ALA 134 + HG12 ILE 101 OK 50 100 - 50 - 4569/1.8=8, 3361/2.1=7...(18) HA LYS 93 - HG12 ILE 101 OK 22 98 - 22 - 3361/2.1=3, 3329/3.0=3...(8) HA PHE 45 - HG12 ILE 101 OK 21 98 - 21 - 3324=5, 3329/3.0=4...(6) HA LYS 85 - HG12 ILE 101 lone 8 81 - 10 - ~10179=2, 3361/2.1=2 HA PHE 43 - HG12 ILE 101 lone 2 62 - 4 - Peak 3346 from cnoeabs.peaks (1.90, 1.23, 26.96 ppm; 3.21 A): 1 out of 12 assignments used, quality = 1.00: * HB ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 3.0=100 HB2 LYS 24 - HG12 ILE 101 OK 43 100 - 43 - 11349/4.7=6, 3354/1.8=5...(15) HB ILE 136 - HG12 ILE 101 OK 40 81 - 50 - 3362/2.1=6, 4.6/10174=5...(23) HB3 ARG 140 - HG12 ILE 101 OK 25 89 - 28 - 3362/2.1=3, 3354/1.8=3...(11) HB3 LYS 93 - HG12 ILE 101 OK 19 85 - 22 - 3354/1.8=2, 3362/2.1=2...(8) HB3 LEU 69 - HG12 ILE 101 OK 18 99 - 19 - 3354/1.8=2, 3362/2.1=2...(8) HB3 GLN 111 - HG12 ILE 101 OK 16 100 - 16 - 1.8/10132=2, 3354/1.8=2...(5) HB3 ARG 89 - HG12 ILE 101 OK 10 100 - 10 - 3362/2.1=2, 3338/3.2=1 HG13 ILE 83 - HG12 ILE 101 OK 10 72 - 14 - ~10177=4, ~10129=3...(5) QE MET 68 - HG12 ILE 101 lone 5 96 - 5 - 3362/2.1=1 HB2 LYS 86 - HG12 ILE 101 lone 3 62 - 5 - 4.6/7002=3 HB3 ARG 141 - HG12 ILE 101 lone 3 72 - 4 - Peak 3347 from cnoeabs.peaks (0.88, 1.23, 26.96 ppm; 2.53 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 2.1=100 * QG2 ILE 101 + HG12 ILE 101 OK 80 100 - 80 - 3.2=50, 3341/1.8=11...(31) QD1 LEU 97 - HG12 ILE 101 OK 31 100 - 31 - 3355/1.8=5, 4.6/9184=4...(16) QG2 ILE 136 - HG12 ILE 101 OK 30 100 - 30 - 3355/1.8=4, 4.3/10174=3...(14) QG2 VAL 80 - HG12 ILE 101 lone 5 81 - 6 - HB3 LEU 42 - HG12 ILE 101 lone 1 68 - 2 - Peak 3348 from cnoeabs.peaks (1.23, 1.23, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 101 + HG12 ILE 101 OK 100 100 - 100 Peak 3349 from cnoeabs.peaks (1.49, 1.23, 26.96 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 1.8=100 HG2 LYS 34 - HG12 ILE 101 OK 29 89 - 33 - 3365/2.1=4, ~9180=3...(14) QB ALA 134 - HG12 ILE 101 OK 25 81 - 31 - 3365/2.1=4, 2.1/3345=3...(15) HD3 LYS 114 - HG12 ILE 101 OK 18 100 - 18 - 3365/2.1=3, ~3794=2...(9) HB3 LEU 29 - HG12 ILE 101 OK 13 100 - 13 - 3365/2.1=2, ~350=1...(4) Peak 3350 from cnoeabs.peaks (0.89, 1.23, 26.96 ppm; 2.53 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HG12 ILE 101 OK 79 100 - 80 - 3.2=50, 3341/1.8=11...(31) QD1 LEU 97 - HG12 ILE 101 OK 30 98 - 31 - 3355/1.8=4, 4.6/9184=4...(16) QG2 ILE 136 - HG12 ILE 101 OK 30 100 - 30 - 3358/1.8=4, 4.3/10174=3...(14) QG2 VAL 80 - HG12 ILE 101 lone 6 92 - 6 - Peak 3352 from cnoeabs.peaks (7.43, 1.49, 26.96 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.94: * H ILE 101 + HG13 ILE 101 OK 91 100 - 91 - 4.7=43, 3344/1.8=24...(22) HD22 ASN 84 + HG13 ILE 101 OK 32 100 - 31 - 3344/1.8=9, 3360/2.1=9...(5) Peak 3353 from cnoeabs.peaks (4.21, 1.49, 26.96 ppm; 3.59 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 101 + HG13 ILE 101 OK 98 100 - 98 - 3.8=86, 3.0/3352=21...(27) HA ALA 134 + HG13 ILE 101 OK 61 100 - 62 - 3345/1.8=8, 3361/2.1=8...(24) HA THR 102 + HG13 ILE 101 OK 58 100 - 58 - 9189/2.1=9, 3345/1.8=8...(17) HA LYS 93 - HG13 ILE 101 OK 24 98 - 25 - 3345/1.8=3, 3361/2.1=3...(9) HA PHE 45 - HG13 ILE 101 OK 23 98 - 24 - 3325=5, 3329/3.0=4...(7) HA LYS 85 - HG13 ILE 101 lone 7 81 - 9 - ~10179=3, 3361/2.1=2, 3345/1.8=1 HA PHE 43 - HG13 ILE 101 lone 4 62 - 7 - 10829/10198=2 Peak 3354 from cnoeabs.peaks (1.90, 1.49, 26.96 ppm; 3.04 A): 1 out of 12 assignments used, quality = 1.00: * HB ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 3.0=100 HB2 LYS 24 - HG13 ILE 101 OK 39 100 - 39 - 11349/4.7=5, 3346/1.8=5...(15) HB ILE 136 - HG13 ILE 101 OK 37 81 - 45 - 3362/2.1=5, 2.1/3355=4...(23) HB3 ARG 140 - HG13 ILE 101 OK 22 89 - 25 - 3362/2.1=3, 3346/1.8=3...(10) HB3 LYS 93 - HG13 ILE 101 OK 17 85 - 20 - 3346/1.8=2, 3362/2.1=2...(6) HB3 LEU 69 - HG13 ILE 101 OK 17 99 - 17 - 3346/1.8=2, 3362/2.1=2...(6) HB3 GLN 111 - HG13 ILE 101 OK 14 100 - 14 - 3362/2.1=2, 3346/1.8=2...(5) HB3 ARG 89 - HG13 ILE 101 lone 10 100 - 10 - 3362/2.1=1, 3338/3.2=1 HG13 ILE 83 - HG13 ILE 101 poor 9 72 - 12 - ~10177=4, ~10129=2...(5) QE MET 68 - HG13 ILE 101 lone 5 96 - 5 - HB3 ARG 141 - HG13 ILE 101 lone 3 72 - 5 - HB2 LYS 86 - HG13 ILE 101 lone 2 62 - 3 - Peak 3355 from cnoeabs.peaks (0.88, 1.49, 26.96 ppm; 2.54 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 2.1=100 * QG2 ILE 101 + HG13 ILE 101 OK 80 100 - 80 - 3.2=50, 3340/1.8=14...(29) QD1 LEU 97 - HG13 ILE 101 OK 37 100 - 37 - 4.6/9171=5, 4.6/10183=5...(19) QG2 ILE 136 - HG13 ILE 101 OK 30 100 - 30 - 3347/1.8=4, 2.1/3354=3...(14) QG2 VAL 80 - HG13 ILE 101 lone 6 81 - 7 - HB3 LEU 42 - HG13 ILE 101 lone 2 68 - 3 - Peak 3356 from cnoeabs.peaks (1.23, 1.49, 26.96 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 1.8=100 HB3 LEU 87 - HG13 ILE 101 OK 34 100 - 34 - 3364/2.1=6, 3340/3.2=4...(18) HD3 LYS 123 - HG13 ILE 101 OK 27 77 - 35 - 3349=6, 3364/2.1=4...(19) QG2 THR 107 - HG13 ILE 101 OK 13 81 - 16 - 9245/2.1=3, 9245/3.2=2...(8) Peak 3357 from cnoeabs.peaks (1.49, 1.49, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 101 + HG13 ILE 101 OK 100 100 - 100 Peak 3358 from cnoeabs.peaks (0.89, 1.49, 26.96 ppm; 2.54 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HG13 ILE 101 OK 79 100 - 80 - 3.2=50, 3340/1.8=14...(28) QD1 LEU 97 - HG13 ILE 101 OK 36 98 - 37 - 4.6/9171=5, 4.6/10183=5...(19) QG2 ILE 136 - HG13 ILE 101 OK 30 100 - 30 - 3350/1.8=4, 2.1/3354=3...(14) QG2 VAL 80 - HG13 ILE 101 lone 7 92 - 7 - Peak 3360 from cnoeabs.peaks (7.43, 0.89, 13.44 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 101 + QD1 ILE 101 OK 96 100 - 96 - 5.0=47, 3352/2.1=29...(24) HD22 ASN 84 - QD1 ILE 101 OK 41 100 - 41 - 3352/2.1=10, 3344/2.1=10...(7) Peak 3361 from cnoeabs.peaks (4.21, 0.89, 13.44 ppm; 3.34 A): 3 out of 7 assignments used, quality = 0.99: * HA ILE 101 + QD1 ILE 101 OK 94 100 - 94 - 4.1=53, 3324/2.1=16...(29) HA THR 102 + QD1 ILE 101 OK 59 100 - 59 - 3.0/10172=9, 9189=8...(19) HA ALA 134 + QD1 ILE 101 OK 52 100 - 52 - 4569/2.1=7, 2.8/10543=7...(21) HA LYS 93 - QD1 ILE 101 OK 24 98 - 25 - 3345/2.1=3, 3329/3.2=3...(8) HA PHE 45 - QD1 ILE 101 OK 21 98 - 21 - 3337/3.1=3, 3329/3.2=3...(7) HA LYS 85 - QD1 ILE 101 OK 13 81 - 15 - 4.0/10177=5, 2.9/10179=4 HA PHE 43 - QD1 ILE 101 lone 4 62 - 6 - Peak 3362 from cnoeabs.peaks (1.90, 0.89, 13.44 ppm; 2.78 A): 3 out of 12 assignments used, quality = 0.96: * HB ILE 101 + QD1 ILE 101 OK 90 100 - 90 - 3.2=64, 3.9/3360=8...(34) HB ILE 136 + QD1 ILE 101 OK 41 81 - 50 - 4606=6, 2.5/4638=6...(22) HB2 LYS 24 + QD1 ILE 101 OK 36 100 - 36 - 3.0/10177=9, 11349/5.0=4...(12) HB3 ARG 140 - QD1 ILE 101 OK 25 89 - 28 - 2.9/11575=3, 2.9/11574=3...(13) HB3 LYS 93 - QD1 ILE 101 OK 16 85 - 19 - 3354/2.1=2, 3.0/3361=2...(5) HB3 LEU 69 - QD1 ILE 101 OK 14 99 - 14 - 3.0/9179=2, 3354/2.1=2...(4) HB3 GLN 111 - QD1 ILE 101 OK 13 100 - 13 - 1.8/11023=2, 3354/2.1=1...(4) HB3 ARG 89 - QD1 ILE 101 OK 11 100 - 11 - 3338/3.1=1 HG13 ILE 83 - QD1 ILE 101 OK 10 72 - 14 - 1.8/10177=6, ~10133=1 QE MET 68 - QD1 ILE 101 lone 7 96 - 8 - 4.6/8436=1 HB3 ARG 141 - QD1 ILE 101 lone 4 72 - 6 - HB2 LYS 86 - QD1 ILE 101 lone 2 62 - 3 - Peak 3363 from cnoeabs.peaks (0.88, 0.89, 13.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 101 + QD1 ILE 101 OK 100 100 - 100 Reference assignment not found: QG2 ILE 101 - QD1 ILE 101 Peak 3364 from cnoeabs.peaks (1.23, 0.89, 13.44 ppm; 2.61 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 101 + QD1 ILE 101 OK 100 100 - 100 - 2.1=100 HB3 LEU 87 - QD1 ILE 101 OK 42 100 - 42 - 3.0/10129=9, 3356/2.1=6...(19) HD3 LYS 123 - QD1 ILE 101 OK 27 77 - 35 - 3356/2.1=5, 3347=4...(19) QG2 THR 107 - QD1 ILE 101 OK 18 81 - 22 - 9245=4, 9245/3.1=3...(10) Peak 3365 from cnoeabs.peaks (1.49, 0.89, 13.44 ppm; 2.63 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 101 + QD1 ILE 101 OK 100 100 - 100 - 2.1=100 HG2 LYS 34 - QD1 ILE 101 OK 35 89 - 39 - 2.9/9180=9, 1.8/10178=5...(14) QB ALA 134 - QD1 ILE 101 OK 30 81 - 37 - 2.1/3361=4, 3349/2.1=4...(17) HD3 LYS 114 - QD1 ILE 101 OK 20 100 - 20 - 3349/2.1=3, ~3794=2...(10) HB3 LEU 29 - QD1 ILE 101 OK 15 100 - 15 - 3349/2.1=2, 3341/3.1=1...(4) Peak 3366 from cnoeabs.peaks (0.89, 0.89, 13.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 101 + QD1 ILE 101 OK 100 100 - 100 Peak 3368 from cnoeabs.peaks (8.24, 4.21, 63.05 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * H THR 102 + HA THR 102 OK 100 100 - 100 - 3.0=100 H ALA 105 - HA THR 102 OK 36 81 - 45 - 4.6/10185=10, 3373/3.0=8...(13) H GLY 125 - HA THR 102 lone 1 62 - 1 - Peak 3369 from cnoeabs.peaks (4.21, 4.21, 63.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 102 + HA THR 102 OK 100 100 - 100 Peak 3370 from cnoeabs.peaks (4.23, 4.21, 63.05 ppm; 2.50 A): 2 out of 6 assignments used, quality = 0.74: * HB THR 102 + HA THR 102 OK 71 100 - 71 - 3.0=57, 2.1/3371=15...(8) HA LYS 85 + HA THR 102 OK 10 89 - 11 - 3380/3.2=1, 2.9/2594=1...(4) HA LYS 93 - HA THR 102 poor 10 62 - 16 - 2.9/7087=2, 3.0/3023=2...(6) HB THR 92 - HA THR 102 lone 7 81 - 9 - 10148/3.0=2, 3380/3.2=2 HA PHE 45 - HA THR 102 lone 4 62 - 7 - 2.8/6365=1 HA ARG 141 - HA THR 102 lone 3 98 - 3 - Peak 3371 from cnoeabs.peaks (1.27, 4.21, 63.05 ppm; 2.74 A): 3 out of 7 assignments used, quality = 0.84: * QG2 THR 102 + HA THR 102 OK 76 100 - 76 - 3.2=62, 2.1/3370=21...(8) HB3 LEU 97 + HA THR 102 OK 22 81 - 28 - 3376/3.0=4, 3.1/9122=4...(10) QB ALA 104 + HA THR 102 OK 15 72 - 21 - 9204/3.0=4, 2.9/10185=4...(9) QG2 THR 99 - HA THR 102 lone 4 89 - 5 - 7204/3.0=1 HB2 LEU 132 - HA THR 102 lone 4 94 - 4 - HG2 LYS 61 - HA THR 102 lone 3 100 - 3 - HG3 LYS 61 - HA THR 102 lone 2 89 - 3 - Peak 3372 from cnoeabs.peaks (8.40, 4.21, 63.05 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * H SER 103 + HA THR 102 OK 100 100 - 100 - 3.6=100 H GLY 31 - HA THR 102 OK 22 100 - 22 - 3.0/10186=8, 3382/3.2=5...(5) H TYR 117 - HA THR 102 lone 3 100 - 3 - H GLU 75 - HA THR 102 lone 3 72 - 4 - Peak 3373 from cnoeabs.peaks (8.24, 4.23, 69.08 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H THR 102 + HB THR 102 OK 100 100 - 100 - 3.9=100 H ALA 105 - HB THR 102 OK 43 81 - 53 - 3.7/9204=15, 3368/3.0=10...(10) H GLY 125 - HB THR 102 lone 1 62 - 2 - Peak 3374 from cnoeabs.peaks (4.21, 4.23, 69.08 ppm; 2.50 A): 4 out of 6 assignments used, quality = 0.84: * HA THR 102 + HB THR 102 OK 71 100 - 71 - 3.0=57, 3371/2.1=15...(8) HA ILE 101 + HB THR 102 OK 25 100 - 25 - 3.6/7203=7, 3379/2.1=5...(9) HA LYS 93 + HB THR 102 OK 16 100 - 16 - 3379/2.1=3, 2.9/7085=2...(4) HA LYS 85 + HB THR 102 OK 12 89 - 13 - 3370/3.0=2, 3379/2.1=2...(6) HA PHE 45 - HB THR 102 lone 6 100 - 6 - 3379/2.1=1, 3327/3.9=1 HA ALA 134 - HB THR 102 lone 3 98 - 3 - Peak 3375 from cnoeabs.peaks (4.23, 4.23, 69.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 102 + HB THR 102 OK 100 100 - 100 Peak 3376 from cnoeabs.peaks (1.27, 4.23, 69.08 ppm; 2.57 A): 1 out of 7 assignments used, quality = 1.00: * QG2 THR 102 + HB THR 102 OK 100 100 - 100 - 2.1=100 HB3 LEU 97 - HB THR 102 OK 22 81 - 27 - 3371/3.0=4, 3.1/9122=3...(12) QB ALA 104 - HB THR 102 OK 14 72 - 19 - 9204=4, 2.9/9206=2...(7) HB2 LEU 132 - HB THR 102 lone 4 94 - 4 - QG2 THR 99 - HB THR 102 lone 4 89 - 4 - HG2 LYS 61 - HB THR 102 lone 3 100 - 3 - HG3 LYS 61 - HB THR 102 lone 2 89 - 3 - Peak 3377 from cnoeabs.peaks (8.40, 4.23, 69.08 ppm; 6.78 A): 1 out of 4 assignments used, quality = 1.00: * H SER 103 + HB THR 102 OK 100 100 - 100 - 4.6=100 H GLY 31 - HB THR 102 OK 34 100 - 34 - 3382/2.1=9, ~10187=9...(6) H TYR 117 - HB THR 102 lone 5 100 - 5 - 3372/3.0=1, 3382/2.1=1 H GLU 75 - HB THR 102 lone 4 72 - 6 - 3372/3.0=1, 3382/2.1=1 Peak 3378 from cnoeabs.peaks (8.24, 1.27, 22.25 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * H THR 102 + QG2 THR 102 OK 100 100 - 100 - 4.0=100 H ALA 105 - QG2 THR 102 OK 30 81 - 37 - 3373/2.1=10, 3368/3.2=8...(10) H GLY 125 - QG2 THR 102 lone 1 62 - 1 - Peak 3379 from cnoeabs.peaks (4.21, 1.27, 22.25 ppm; 2.61 A): 3 out of 6 assignments used, quality = 0.81: * HA THR 102 + QG2 THR 102 OK 71 100 - 71 - 3.2=54, 3370/2.1=20...(9) HA ILE 101 + QG2 THR 102 OK 25 100 - 25 - 3374/2.1=6, 7196/4.0=4...(8) HA LYS 93 + QG2 THR 102 OK 15 100 - 15 - 3374/2.1=4, 2.9/10103=2...(5) HA LYS 85 - QG2 THR 102 lone 9 89 - 10 - 3374/2.1=3, 3370/3.2=2, ~2582=1 HA PHE 45 - QG2 THR 102 lone 7 100 - 7 - 3374/2.1=1, 3327/4.0=1 HA ALA 134 - QG2 THR 102 lone 4 98 - 4 - Peak 3380 from cnoeabs.peaks (4.23, 1.27, 22.25 ppm; 2.61 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 102 + QG2 THR 102 OK 100 100 - 100 - 2.1=100 HB THR 92 - QG2 THR 102 OK 12 81 - 15 - 2.1/10099=3, 3.0/10102=2...(7) HA LYS 93 - QG2 THR 102 poor 7 62 - 12 - 3370/3.2=3, 2.9/10103=2...(4) HA LYS 85 - QG2 THR 102 lone 7 89 - 8 - 3370/3.2=2, ~2582=1 HA ARG 141 - QG2 THR 102 lone 4 98 - 4 - HA PHE 45 - QG2 THR 102 lone 3 62 - 5 - Peak 3381 from cnoeabs.peaks (1.27, 1.27, 22.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 102 + QG2 THR 102 OK 100 100 - 100 Peak 3382 from cnoeabs.peaks (8.40, 1.27, 22.25 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: * H SER 103 + QG2 THR 102 OK 100 100 - 100 - 4.2=100 H GLY 31 - QG2 THR 102 OK 25 100 - 25 - 3.0/10187=9, 3372/3.2=6...(5) H TYR 117 - QG2 THR 102 lone 3 100 - 3 - H GLU 75 - QG2 THR 102 lone 3 72 - 4 - Peak 3383 from cnoeabs.peaks (8.40, 4.47, 57.87 ppm; 5.87 A): 2 out of 4 assignments used, quality = 1.00: * H SER 103 + HA SER 103 OK 100 100 - 100 - 3.0=100 H GLY 31 + HA SER 103 OK 58 100 - 58 - 6146=11, 3393/3.0=8...(15) H GLU 75 - HA SER 103 OK 14 72 - 19 - 6788/3.6=4, 3388/3.0=3...(7) H TYR 117 - HA SER 103 lone 9 100 - 9 - 3393/3.0=3, 3388/3.0=3 Peak 3384 from cnoeabs.peaks (4.47, 4.47, 57.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 103 + HA SER 103 OK 100 100 - 100 Peak 3385 from cnoeabs.peaks (4.01, 4.47, 57.87 ppm; 2.97 A): 1 out of 13 assignments used, quality = 0.97: * HB2 SER 103 + HA SER 103 OK 97 100 - 97 - 3.0=95, 1.8/3394=27...(5) HA VAL 63 - HA SER 103 poor 10 68 - 15 - 8364=9, 3395/3.0=2, 7218/3.6=1 HB THR 107 - HA SER 103 lone 6 98 - 6 - 3395/3.0=2, 7218/3.6=1 HA LYS 123 - HA SER 103 lone 4 94 - 4 - 7218/3.6=1 HB3 SER 100 - HA SER 103 lone 3 100 - 3 - HB2 SER 138 - HA SER 103 lone 3 68 - 4 - 4.0/7777=1 HB3 SER 138 - HA SER 103 lone 3 68 - 4 - 4.0/7777=1 HA LEU 69 - HA SER 103 lone 2 68 - 3 - HA GLU 81 - HA SER 103 lone 1 85 - 1 - HA LYS 114 - HA SER 103 lone 1 72 - 2 - HA GLU 122 - HA SER 103 lone 1 72 - 1 - HA MET 113 - HA SER 103 lone 1 72 - 1 - HA GLU 37 - HA SER 103 lone 1 89 - 1 - Peak 3386 from cnoeabs.peaks (3.96, 4.47, 57.87 ppm; 3.05 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 103 + HA SER 103 OK 100 100 - 100 - 3.0=100 HA PHE 106 - HA SER 103 OK 42 99 - 42 - 3391/3.0=7, 3.0/10149=5...(18) HA LYS 48 - HA SER 103 lone 8 89 - 9 - 3.0/6430=3, 3391/3.0=1 HA GLU 75 - HA SER 103 lone 4 62 - 7 - ~10153=2, 7219/3.6=1 HA3 GLY 94 - HA SER 103 lone 3 96 - 3 - HA ALA 60 - HA SER 103 lone 2 96 - 2 - HA3 GLY 143 - HA SER 103 lone 1 85 - 1 - Peak 3387 from cnoeabs.peaks (8.00, 4.47, 57.87 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 104 + HA SER 103 OK 100 100 - 100 - 3.6=100 H ARG 140 - HA SER 103 OK 25 98 - 25 - 7814=7, 2.9/10369=5...(7) H GLN 47 - HA SER 103 OK 19 92 - 21 - 6395=6, 4.6/6430=3...(5) H VAL 73 - HA SER 103 lone 6 100 - 6 - 6769/3.0=1 H ARG 145 - HA SER 103 lone 1 89 - 1 - H THR 51 - HA SER 103 lone 1 62 - 1 - Peak 3388 from cnoeabs.peaks (8.40, 4.01, 62.40 ppm; 6.66 A): 2 out of 4 assignments used, quality = 1.00: * H SER 103 + HB2 SER 103 OK 100 100 - 100 - 4.1=100 H GLY 31 + HB2 SER 103 OK 47 100 - 48 - 3383/3.0=14, 3393/1.8=12...(7) H GLU 75 - HB2 SER 103 OK 21 72 - 28 - 3.9/10153=14, 6788/4.6=4...(6) H TYR 117 - HB2 SER 103 OK 19 100 - 19 - 3393/1.8=5, 9387=3...(7) Peak 3389 from cnoeabs.peaks (4.47, 4.01, 62.40 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 103 + HB2 SER 103 OK 100 100 - 100 - 3.0=100 HA3 GLY 31 - HB2 SER 103 OK 24 100 - 24 - 3394/1.8=6, 406/4.1=5...(9) HA ASP 137 - HB2 SER 103 OK 12 96 - 12 - 3394/1.8=2, 7217/4.6=2 HA SER 44 - HB2 SER 103 lone 8 100 - 8 - 3394/1.8=2, 996/4.6=2 HA ASP 41 - HB2 SER 103 lone 5 89 - 6 - 3394/1.8=1 Peak 3390 from cnoeabs.peaks (4.01, 4.01, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 103 + HB2 SER 103 OK 100 100 - 100 Peak 3391 from cnoeabs.peaks (3.96, 4.01, 62.40 ppm; 2.85 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 103 + HB2 SER 103 OK 100 100 - 100 - 1.8=100 HA PHE 106 + HB2 SER 103 OK 46 99 - 47 - 3.0/10147=9, 3.0/10148=6...(16) HA LYS 48 - HB2 SER 103 lone 7 89 - 8 - ~6430=1 HA GLU 75 - HB2 SER 103 lone 5 62 - 8 - 3.0/10153=4 HA3 GLY 94 - HB2 SER 103 lone 3 96 - 3 - HA ALA 60 - HB2 SER 103 lone 2 96 - 2 - HA3 GLY 143 - HB2 SER 103 lone 1 85 - 1 - Peak 3392 from cnoeabs.peaks (8.00, 4.01, 62.40 ppm; 6.59 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 104 + HB2 SER 103 OK 100 100 - 100 - 4.6=100 H ARG 140 - HB2 SER 103 OK 34 98 - 35 - 4.0/10154=13, 3387/3.0=8...(4) H GLN 47 - HB2 SER 103 OK 20 92 - 22 - 6395/3.0=8, ~6377=4...(4) H VAL 73 - HB2 SER 103 OK 13 100 - 13 - 6769/4.1=2, 3387/3.0=2 H ARG 145 - HB2 SER 103 lone 7 89 - 8 - 6.0/10147=2, 6.0/10147=2 H THR 51 - HB2 SER 103 lone 2 62 - 3 - Peak 3393 from cnoeabs.peaks (8.40, 3.96, 62.40 ppm; 6.16 A): 1 out of 4 assignments used, quality = 1.00: * H SER 103 + HB3 SER 103 OK 100 100 - 100 - 4.1=100 H GLY 31 - HB3 SER 103 OK 44 100 - 44 - 3383/3.0=12, 3388/1.8=9...(8) H TYR 117 - HB3 SER 103 OK 17 100 - 17 - 4.5/10189=5, 3388/1.8=4...(5) H GLU 75 - HB3 SER 103 OK 13 72 - 18 - 3388/1.8=4, 6788/4.6=4...(5) Peak 3394 from cnoeabs.peaks (4.47, 3.96, 62.40 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 103 + HB3 SER 103 OK 100 100 - 100 - 3.0=100 HA3 GLY 31 - HB3 SER 103 OK 22 100 - 22 - 3389/1.8=5, 406/4.1=4...(9) HA SER 44 - HB3 SER 103 lone 9 100 - 9 - 4.9/10152=2, 3389/1.8=2 HA ASP 137 - HB3 SER 103 lone 9 96 - 9 - 3389/1.8=3, 7217/4.6=2 HA ASP 41 - HB3 SER 103 lone 5 89 - 6 - 3389/1.8=1 Peak 3395 from cnoeabs.peaks (4.01, 3.96, 62.40 ppm; 2.57 A): 1 out of 13 assignments used, quality = 1.00: * HB2 SER 103 + HB3 SER 103 OK 100 100 - 100 - 1.8=100 HB THR 107 - HB3 SER 103 lone 8 98 - 8 - 4.1/7251=2 HA VAL 63 - HB3 SER 103 lone 5 68 - 7 - 8364/3.0=4 HA LYS 123 - HB3 SER 103 lone 3 94 - 3 - HB3 SER 100 - HB3 SER 103 lone 3 100 - 3 - HA GLU 81 - HB3 SER 103 lone 1 85 - 2 - HA LEU 69 - HB3 SER 103 lone 1 68 - 2 - HB2 SER 138 - HB3 SER 103 lone 1 68 - 1 - HB3 SER 138 - HB3 SER 103 lone 1 68 - 1 - HA GLU 122 - HB3 SER 103 lone 1 72 - 1 - HA LYS 114 - HB3 SER 103 lone 1 72 - 1 - HA MET 113 - HB3 SER 103 lone 1 72 - 1 - HA GLU 37 - HB3 SER 103 lone 1 89 - 1 - Peak 3396 from cnoeabs.peaks (3.96, 3.96, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 103 + HB3 SER 103 OK 100 100 - 100 Peak 3398 from cnoeabs.peaks (8.00, 3.84, 54.97 ppm; 4.19 A): 2 out of 12 assignments used, quality = 1.00: * H ALA 104 + HA ALA 104 OK 100 100 - 100 - 2.8=100 H VAL 73 + HA ALA 104 OK 47 100 - 47 - 3404/2.1=9, 6758=7...(18) H VAL 73 - HA MET 68 OK 35 62 - 56 - 3.0/9918=11, 6758=10...(17) H ALA 104 - HA MET 68 OK 19 63 - 29 - 7220=5, 2.9/3405=4...(11) H ARG 140 - HA ALA 104 OK 17 98 - 18 - 3404/2.1=4, 7225/3.6=3...(5) H ARG 140 - HA MET 68 OK 11 59 - 19 - ~7841=2, 7826/3.0=2...(7) H GLN 47 - HA ALA 104 poor 9 92 - 10 - 3404/2.1=2, 7225/3.6=1, ~1090=1 H ARG 145 - HA ALA 104 lone 6 89 - 7 - 7225/3.6=1, 3404/2.1=1 H GLN 47 - HA MET 68 lone 5 52 - 10 - 6394/4.9=3 H ARG 145 - HA MET 68 lone 3 50 - 6 - H THR 51 - HA ALA 104 lone 2 62 - 3 - 4.0/8213=1 H THR 51 - HA MET 68 lone 2 32 - 5 - 4.0/8213=3 Peak 3399 from cnoeabs.peaks (3.84, 3.84, 54.97 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 104 + HA ALA 104 OK 100 100 - 100 HA MET 68 + HA MET 68 OK 62 62 - 100 Peak 3400 from cnoeabs.peaks (1.28, 3.84, 54.97 ppm; 2.93 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 104 + HA ALA 104 OK 100 100 - 100 - 2.1=100 QG2 THR 102 - HA ALA 104 OK 17 72 - 23 - ~9204=5, 7221/2.8=3...(8) QB ALA 104 - HA MET 68 OK 13 63 - 21 - 3405=5, 2.9/7220=2...(6) HG12 ILE 58 - HA ALA 104 lone 7 99 - 7 - HG13 ILE 58 - HA ALA 104 lone 5 89 - 6 - HG12 ILE 58 - HA MET 68 lone 1 60 - 2 - QG2 THR 102 - HA MET 68 lone 1 38 - 2 - HG13 ILE 58 - HA MET 68 lone 1 50 - 1 - Peak 3401 from cnoeabs.peaks (8.25, 3.84, 54.97 ppm; 4.45 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 105 + HA ALA 104 OK 100 100 - 100 - 3.6=100 H THR 102 - HA ALA 104 OK 42 81 - 51 - 3407/2.1=12, 4.1/9169=11...(11) H ALA 105 - HA MET 68 OK 15 63 - 23 - 7226=5, 3.7/3405=4...(6) H ASP 32 - HA ALA 104 lone 9 96 - 9 - 7222/2.8=3, 3407/2.1=2 H GLY 143 - HA ALA 104 poor 7 68 - 10 - 7222/2.8=3, 3407/2.1=2 H ASP 32 - HA MET 68 poor 7 57 - 12 - 10815/2.9=8, 8081/8078=1 H THR 102 - HA MET 68 poor 5 44 - 12 - 4.1/8436=4, 4.3/9168=4 H GLY 143 - HA MET 68 lone 1 35 - 2 - Peak 3402 from cnoeabs.peaks (8.15, 3.84, 54.97 ppm; 4.75 A): 4 out of 6 assignments used, quality = 0.88: * H THR 107 + HA ALA 104 OK 77 100 - 77 - 7248/3.6=28, 7247=17...(12) H SER 138 + HA ALA 104 OK 34 94 - 36 - 10191/2.1=9, 7231/3.6=9...(8) H THR 107 + HA MET 68 OK 13 63 - 21 - 8080/8078=4, 7247=4...(6) H SER 138 + HA MET 68 OK 12 55 - 22 - 3.2/7755=4, 10474=4...(7) H HIS 14 - HA ALA 104 lone 5 77 - 6 - 10191/2.1=2, 7231/3.6=1 H HIS 14 - HA MET 68 lone 2 41 - 5 - 3.9/8444=2, 4.5/1954=1 Peak 3403 from cnoeabs.peaks (4.02, 3.84, 54.97 ppm; 3.58 A): 5 out of 14 assignments used, quality = 0.79: * HB THR 107 + HA ALA 104 OK 44 100 - 44 - 3453=19, 4.1/3402=8...(10) HA VAL 63 + HA ALA 104 OK 23 89 - 26 - 8354/2.1=9, 3.0/10155=6...(6) HA LYS 123 + HA ALA 104 OK 23 100 - 23 - ~10190=11, 9203/2.1=6 HB2 SER 103 + HA ALA 104 OK 22 98 - 22 - 7218/2.8=7, 9203/2.1=5...(5) HB3 SER 100 + HA ALA 104 OK 20 98 - 20 - 9203/2.1=5, 3317=3...(9) HB THR 107 - HA MET 68 lone 6 63 - 9 - 3453=3, 4.1/7247=1 HA GLU 81 - HA ALA 104 lone 5 98 - 6 - 9203/2.1=2 HA GLU 81 - HA MET 68 lone 4 59 - 7 - 4.8/8444=1, ~2418=1...(4) HB3 SER 100 - HA MET 68 lone 4 59 - 7 - ~6663=1 HA GLU 37 - HA ALA 104 lone 4 99 - 4 - 9203/2.1=2 HA VAL 63 - HA MET 68 lone 4 50 - 8 - ~9870=1, ~8352=1 HB2 SER 103 - HA MET 68 lone 2 59 - 4 - 4.6/7220=2 HA GLU 37 - HA MET 68 lone 2 60 - 3 - ~6223=1 HA LYS 123 - HA MET 68 lone 2 62 - 3 - Peak 3404 from cnoeabs.peaks (8.00, 1.28, 18.55 ppm; 3.16 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 104 + QB ALA 104 OK 100 100 - 100 - 2.9=100 H VAL 73 - QB ALA 104 OK 29 100 - 30 - 4.4/9197=4, 6758/2.1=4...(15) H ARG 140 - QB ALA 104 OK 12 98 - 12 - 7225/3.7=2, 3398/2.1=1 H GLN 47 - QB ALA 104 lone 7 92 - 8 - 6394/10829=2 H ARG 145 - QB ALA 104 lone 3 89 - 4 - H THR 51 - QB ALA 104 lone 1 62 - 1 - Peak 3405 from cnoeabs.peaks (3.84, 1.28, 18.55 ppm; 2.68 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 104 + QB ALA 104 OK 100 100 - 100 - 2.1=100 HA LEU 72 - QB ALA 104 OK 26 89 - 29 - 3.0/9197=5, 3.8/10172=5...(14) HA MET 68 - QB ALA 104 OK 17 100 - 17 - 3400=3, 7220/2.9=2...(6) HA GLN 133 - QB ALA 104 OK 13 94 - 14 - 3.6/10192=4, 7226/3.7=1 HB2 SER 100 - QB ALA 104 OK 13 89 - 15 - 4.5/10193=4, 1.8/9203=3...(4) HB2 SER 127 - QB ALA 104 OK 11 100 - 11 - 10265/8760=1, ~4326=1...(4) HD2 PRO 118 - QB ALA 104 lone 4 81 - 5 - Peak 3406 from cnoeabs.peaks (1.28, 1.28, 18.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 104 + QB ALA 104 OK 100 100 - 100 Peak 3407 from cnoeabs.peaks (8.25, 1.28, 18.55 ppm; 3.22 A): 2 out of 4 assignments used, quality = 0.89: * H ALA 105 + QB ALA 104 OK 83 100 - 83 - 3.7=65, 2.9/9222=20...(8) H THR 102 + QB ALA 104 OK 33 81 - 40 - 4.3/10127=8, 3.9/9204=7...(11) H ASP 32 - QB ALA 104 lone 7 96 - 7 - 3.5/9205=2, 7222/2.9=2 H GLY 143 - QB ALA 104 lone 6 68 - 8 - 3.6/9204=3, 4.7/9200=2 Peak 3408 from cnoeabs.peaks (8.25, 3.11, 55.10 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 105 + HA ALA 105 OK 100 100 - 100 - 2.9=100 H THR 102 - HA ALA 105 OK 22 81 - 27 - 3415/2.1=7, 4.1/9185=5...(8) H ASP 32 - HA ALA 105 lone 5 96 - 5 - 7235/3.6=1, 3415/2.1=1 H GLY 143 - HA ALA 105 lone 3 68 - 5 - Peak 3409 from cnoeabs.peaks (3.11, 3.11, 55.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 105 + HA ALA 105 OK 100 100 - 100 Peak 3410 from cnoeabs.peaks (1.12, 3.11, 55.10 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 105 + HA ALA 105 OK 100 100 - 100 - 2.1=100 HD2 LYS 123 - HA ALA 105 OK 37 100 - 37 - 7229/2.9=6, ~4168=5...(14) Peak 3411 from cnoeabs.peaks (7.70, 3.11, 55.10 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 106 + HA ALA 105 OK 100 100 - 100 - 3.6=100 H ALA 134 - HA ALA 105 OK 30 99 - 31 - 3418/2.1=9, 7230/2.9=8...(7) H GLU 28 - HA ALA 105 OK 12 100 - 11 - 3418/2.1=4, 7230/2.9=4 Peak 3413 from cnoeabs.peaks (0.93, 3.11, 55.10 ppm; 5.00 A): 4 out of 5 assignments used, quality = 0.94: * HB2 LEU 108 + HA ALA 105 OK 82 100 - 82 - 1.8/3414=36, 3.2/9263=26...(9) QG2 ILE 91 + HA ALA 105 OK 44 100 - 44 - 8974=12, ~8968=9...(14) QG2 VAL 63 + HA ALA 105 OK 27 100 - 27 - ~9220=8, 2.1/10935=5...(9) HB2 LEU 64 + HA ALA 105 OK 22 85 - 26 - ~9224=5, 1.8/9223=5...(7) QD2 LEU 29 - HA ALA 105 poor 10 68 - 14 - 10834/3.6=4...(4) Peak 3414 from cnoeabs.peaks (1.19, 3.11, 55.10 ppm; 4.07 A): 2 out of 4 assignments used, quality = 0.70: * HB3 LEU 108 + HA ALA 105 OK 66 100 - 66 - 3.2/9263=18, 3.2/9260=13...(9) QD1 LEU 26 + HA ALA 105 OK 12 94 - 13 - ~9224=2, 3504/9263=2...(6) HG13 ILE 56 - HA ALA 105 lone 6 68 - 9 - 3504/9263=2, 3.2/9185=2...(4) HG12 ILE 56 - HA ALA 105 lone 5 62 - 8 - 3.2/9185=2, 3504/9263=1, ~9220=1 Peak 3415 from cnoeabs.peaks (8.25, 1.12, 17.85 ppm; 2.87 A): 1 out of 4 assignments used, quality = 0.96: * H ALA 105 + QB ALA 105 OK 96 100 - 96 - 2.9=93, 7235/3.7=13...(8) H THR 102 - QB ALA 105 OK 18 81 - 22 - 3407/4.1=3, 4.1/9220=3...(9) H ASP 32 - QB ALA 105 lone 3 96 - 3 - H GLY 143 - QB ALA 105 lone 2 68 - 3 - Peak 3416 from cnoeabs.peaks (3.11, 1.12, 17.85 ppm; 2.65 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 105 + QB ALA 105 OK 100 100 - 100 - 2.1=100 HB3 PHE 106 - QB ALA 105 OK 32 68 - 48 - 4.7=18, 4.0/7237=10...(9) HD2 ARG 109 - QB ALA 105 OK 27 99 - 28 - 3416=8, 1.8/9211=6...(8) HD2 ARG 145 - QB ALA 105 lone 8 94 - 9 - 3416=2, 1.8/3416=1 HD3 ARG 145 - QB ALA 105 lone 8 92 - 8 - 3416=2, 1.8/3416=1 HB3 ASN 96 - QB ALA 105 lone 5 100 - 5 - 3416=1 HA LEU 79 - QB ALA 105 lone 1 62 - 2 - HB3 HIS 10 - QB ALA 105 lone 1 89 - 1 - Peak 3417 from cnoeabs.peaks (1.12, 1.12, 17.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 105 + QB ALA 105 OK 100 100 - 100 Peak 3418 from cnoeabs.peaks (7.70, 1.12, 17.85 ppm; 3.19 A): 3 out of 3 assignments used, quality = 0.92: * H PHE 106 + QB ALA 105 OK 89 100 - 89 - 3.7=63, 7235/2.9=21...(14) H ALA 134 + QB ALA 105 OK 21 99 - 21 - 7230/2.9=5, 2.8/9215=4...(7) H GLU 28 + QB ALA 105 OK 10 100 - 10 - 7230/2.9=2, 4.7/9228=2...(6) Peak 3419 from cnoeabs.peaks (7.70, 3.96, 60.28 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 106 + HA PHE 106 OK 100 100 - 100 - 3.0=100 H ALA 134 - HA PHE 106 OK 23 99 - 23 - 7250/3.6=5, 3430/3.0=5...(9) H GLU 28 - HA PHE 106 OK 12 100 - 12 - 3430/3.0=3, 7250/3.6=3...(5) Peak 3420 from cnoeabs.peaks (3.96, 3.96, 60.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 106 + HA PHE 106 OK 100 100 - 100 Peak 3421 from cnoeabs.peaks (2.95, 3.96, 60.28 ppm; 3.81 A): 1 out of 9 assignments used, quality = 1.00: * HB2 PHE 106 + HA PHE 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 48 - HA PHE 106 OK 35 100 - 35 - 3.6/1173=4, 7239/3.0=4...(16) HE3 LYS 48 - HA PHE 106 OK 34 98 - 35 - 3.6/1173=4, 7239/3.0=4...(16) HE2 LYS 85 - HA PHE 106 OK 19 100 - 19 - 3440/3.0=2, 7239/3.0=2...(11) HE3 LYS 85 - HA PHE 106 OK 17 92 - 18 - 3440/3.0=2, 7239/3.0=2...(10) HB3 PHE 67 - HA PHE 106 OK 14 100 - 14 - 3440/3.0=2, 5640/3.7=2...(8) HE2 LYS 93 - HA PHE 106 OK 12 100 - 12 - 7239/3.0=1, 3440/3.0=1 HB2 TYR 115 - HA PHE 106 lone 8 100 - 8 - 3440/3.0=1 HE3 LYS 93 - HA PHE 106 poor 8 77 - 10 - 7239/3.0=1, 3440/3.0=1 Peak 3422 from cnoeabs.peaks (3.12, 3.96, 60.28 ppm; 3.43 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 106 + HA PHE 106 OK 100 100 - 100 - 3.0=100 HA ALA 105 - HA PHE 106 OK 42 68 - 62 - 2.1/9232=14, ~7237=12...(13) HD2 ARG 109 - HA PHE 106 OK 35 85 - 41 - 3.6/3539=8, 3.0/11591=7...(14) HD3 ARG 145 - HA PHE 106 OK 27 96 - 28 - 3433/3.0=4, 5641/3.7=3...(9) HD2 ARG 145 - HA PHE 106 OK 26 94 - 28 - 3433/3.0=4, 5641/3.7=3...(9) HA VAL 80 - HA PHE 106 OK 13 77 - 17 - 3.6/3427=3, ~9961=2...(7) HA LEU 79 - HA PHE 106 OK 11 100 - 11 - 8794/8825=2, 7240/3.0=1 HB3 ASN 96 - HA PHE 106 lone 3 77 - 4 - 3.9/9087=1 Peak 3423 from cnoeabs.peaks (7.14, 3.96, 60.28 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 106 + HA PHE 106 OK 99 99 - 100 - 3.7=100 QD TYR 117 - HA PHE 106 OK 38 99 - 38 - 3442/3.0=10, 3434/3.0=10...(8) Peak 3426 from cnoeabs.peaks (8.15, 3.96, 60.28 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * H THR 107 + HA PHE 106 OK 100 100 - 100 - 3.6=100 H SER 138 - HA PHE 106 OK 25 94 - 27 - 7244/3.0=7, 3446/4.8=6...(5) H HIS 14 - HA PHE 106 lone 5 77 - 6 - 7244/3.0=2, 3437/3.0=1 Peak 3427 from cnoeabs.peaks (7.34, 3.96, 60.28 ppm; 4.61 A): 3 out of 3 assignments used, quality = 0.81: * H ARG 109 + HA PHE 106 OK 72 100 - 72 - 7281=21, 4.0/3539=13...(16) QD PHE 43 + HA PHE 106 OK 20 96 - 21 - 10212/3.0=13...(4) H GLU 81 + HA PHE 106 OK 18 68 - 26 - 4.0/3429=4, ~10219=3...(12) Peak 3428 from cnoeabs.peaks (1.38, 3.96, 60.28 ppm; 5.56 A): 5 out of 7 assignments used, quality = 0.91: * HB2 ARG 109 + HA PHE 106 OK 83 100 - 83 - 4.0/3427=24, 1.8/3429=24...(26) HB VAL 82 + HA PHE 106 OK 26 89 - 29 - 2.1/8825=14, 2478/3.0=4...(7) HG2 LYS 86 + HA PHE 106 OK 12 85 - 13 - 2704=1, 2.9/2682=1...(5) HG2 ARG 49 + HA PHE 106 OK 11 96 - 11 - 5.0/6454=2, 1.8/11130=2 HG LEU 132 + HA PHE 106 OK 11 100 - 11 - ~9581=2, ~9581=2 HB2 LEU 69 - HA PHE 106 lone 10 100 - 10 - 7292/3427=1, 3542/3429=1 HB3 LEU 39 - HA PHE 106 lone 8 99 - 8 - 7292/3427=1, 3542/3429=1 Peak 3429 from cnoeabs.peaks (1.72, 3.96, 60.28 ppm; 5.43 A): 4 out of 6 assignments used, quality = 0.90: * HB3 ARG 109 + HA PHE 106 OK 83 100 - 83 - 4.0/3427=23, 3539=22...(27) HB3 GLU 81 + HA PHE 106 OK 26 98 - 26 - 4.0/3427=6, ~10219=4...(9) HG LEU 66 + HA PHE 106 OK 16 100 - 16 - 7293/3427=3...(7) HD2 LYS 36 + HA PHE 106 OK 10 85 - 12 - 2.9/11130=2, 2.9/3428=2...(5) HG3 ARG 89 - HA PHE 106 lone 6 100 - 6 - 3533/3428=1, 7293/3427=1 HB3 ARG 144 - HA PHE 106 lone 5 92 - 6 - 3.0/11130=1 Peak 3430 from cnoeabs.peaks (7.70, 2.95, 38.76 ppm; 3.38 A): 3 out of 3 assignments used, quality = 0.90: * H PHE 106 + HB2 PHE 106 OK 87 100 - 87 - 4.0=59, 3438/1.8=27...(13) H ALA 134 + HB2 PHE 106 OK 17 99 - 17 - 3438/1.8=5, 3419/3.0=4...(5) H GLU 28 + HB2 PHE 106 OK 11 100 - 10 - 3438/1.8=3, 3419/3.0=2...(4) Peak 3431 from cnoeabs.peaks (3.96, 2.95, 38.76 ppm; 3.53 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 106 + HB2 PHE 106 OK 100 100 - 100 - 3.0=100 HB3 SER 103 + HB2 PHE 106 OK 69 99 - 70 - 10145/1.8=20, ~10147=14...(15) HA LYS 48 - HB2 PHE 106 OK 18 98 - 18 - 3439/1.8=3, 7251/4.6=2...(7) HA3 GLY 94 - HB2 PHE 106 lone 6 100 - 6 - 3439/1.8=1, 9214/4.7=1 HA ALA 60 - HB2 PHE 106 lone 6 100 - 5 - 3439/1.8=1 HA3 GLY 143 - HB2 PHE 106 lone 2 68 - 2 - Peak 3432 from cnoeabs.peaks (2.95, 2.95, 38.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 106 + HB2 PHE 106 OK 100 100 - 100 Peak 3433 from cnoeabs.peaks (3.12, 2.95, 38.76 ppm; 2.90 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 106 + HB2 PHE 106 OK 100 100 - 100 - 1.8=100 HA ALA 105 - HB2 PHE 106 OK 29 68 - 42 - 3.6/3430=12, 2.1/9228=8...(12) HD3 ARG 145 - HB2 PHE 106 OK 25 96 - 26 - ~10385=5, 5641/2.5=2...(9) HD2 ARG 145 - HB2 PHE 106 OK 25 94 - 26 - ~10385=5, 5641/2.5=2...(9) HD2 ARG 109 - HB2 PHE 106 OK 19 85 - 22 - ~10732=4, 3422/3.0=3...(9) HA VAL 80 - HB2 PHE 106 poor 10 77 - 12 - ~9955=2, 4.9/10219=1...(4) HA LEU 79 - HB2 PHE 106 lone 5 100 - 5 - HB3 ASN 96 - HB2 PHE 106 lone 2 77 - 3 - Peak 3434 from cnoeabs.peaks (7.14, 2.95, 38.76 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.99: * QD PHE 106 + HB2 PHE 106 OK 99 99 - 100 - 2.5=100 QD TYR 117 + HB2 PHE 106 OK 49 99 - 49 - 3442/1.8=12, 3423/3.0=7...(13) Peak 3437 from cnoeabs.peaks (8.15, 2.95, 38.76 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.93: * H THR 107 + HB2 PHE 106 OK 91 100 - 91 - 4.6=60, 3445/1.8=29...(15) H SER 138 + HB2 PHE 106 OK 18 94 - 19 - 3445/1.8=6, 3426/3.0=5...(4) H HIS 14 - HB2 PHE 106 lone 4 77 - 5 - 3445/1.8=1 Peak 3438 from cnoeabs.peaks (7.70, 3.12, 38.76 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.90: * H PHE 106 + HB3 PHE 106 OK 88 100 - 88 - 4.0=62, 3430/1.8=28...(12) H ALA 134 + HB3 PHE 106 OK 17 99 - 17 - 3430/1.8=6, 3419/3.0=4...(5) H GLU 28 - HB3 PHE 106 lone 9 100 - 9 - 3430/1.8=3, 3419/3.0=2...(4) Peak 3439 from cnoeabs.peaks (3.96, 3.12, 38.76 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 106 + HB3 PHE 106 OK 100 100 - 100 - 3.0=100 HB3 SER 103 + HB3 PHE 106 OK 67 99 - 68 - 10145=20, 1.8/10147=18...(14) HA LYS 48 - HB3 PHE 106 OK 17 98 - 18 - 3431/1.8=3, 7251/4.6=2...(6) HA3 GLY 94 - HB3 PHE 106 lone 6 100 - 6 - 3431/1.8=1 HA ALA 60 - HB3 PHE 106 lone 6 100 - 6 - HA3 GLY 143 - HB3 PHE 106 lone 2 68 - 2 - Peak 3440 from cnoeabs.peaks (2.95, 3.12, 38.76 ppm; 2.99 A): 1 out of 9 assignments used, quality = 1.00: * HB2 PHE 106 + HB3 PHE 106 OK 100 100 - 100 - 1.8=100 HE2 LYS 48 - HB3 PHE 106 OK 18 100 - 18 - 3421/3.0=2, 7239/4.0=2...(6) HE3 LYS 48 - HB3 PHE 106 OK 17 98 - 18 - 3421/3.0=2, 7239/4.0=2...(6) HE2 LYS 85 - HB3 PHE 106 OK 11 100 - 11 - 3421/3.0=1 HB3 PHE 67 - HB3 PHE 106 lone 10 100 - 10 - 5640/2.5=1, ~1936=1, ~1936=1 HE3 LYS 85 - HB3 PHE 106 poor 10 92 - 10 - 3421/3.0=1 HE2 LYS 93 - HB3 PHE 106 lone 7 100 - 7 - HB2 TYR 115 - HB3 PHE 106 lone 6 100 - 5 - HE3 LYS 93 - HB3 PHE 106 lone 5 77 - 7 - Peak 3441 from cnoeabs.peaks (3.12, 3.12, 38.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 106 + HB3 PHE 106 OK 100 100 - 100 Peak 3442 from cnoeabs.peaks (7.14, 3.12, 38.76 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.99: * QD PHE 106 + HB3 PHE 106 OK 99 99 - 100 - 2.5=100 QD TYR 117 + HB3 PHE 106 OK 50 99 - 50 - 3434/1.8=12, 3423/3.0=8...(13) Peak 3445 from cnoeabs.peaks (8.15, 3.12, 38.76 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.95: * H THR 107 + HB3 PHE 106 OK 93 100 - 93 - 4.6=66, 3437/1.8=32...(15) H SER 138 + HB3 PHE 106 OK 19 94 - 21 - 3437/1.8=6, 3426/3.0=5...(4) H HIS 14 - HB3 PHE 106 lone 4 77 - 5 - 3437/1.8=1, 7244/4.0=1 Peak 3446 from cnoeabs.peaks (8.15, 3.71, 66.06 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H THR 107 + HA THR 107 OK 100 100 - 100 - 3.0=100 H SER 138 - HA THR 107 OK 38 94 - 40 - 7775=7, 3.2/7760=6...(11) H HIS 14 - HA THR 107 lone 3 77 - 4 - Peak 3447 from cnoeabs.peaks (3.71, 3.71, 66.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 107 + HA THR 107 OK 100 100 - 100 Peak 3448 from cnoeabs.peaks (4.02, 3.71, 66.06 ppm; 3.98 A): 2 out of 7 assignments used, quality = 1.00: * HB THR 107 + HA THR 107 OK 100 100 - 100 - 3.0=100 HB3 SER 100 + HA THR 107 OK 45 98 - 47 - 10473=18, ~11044=6...(11) HA LYS 123 - HA THR 107 OK 42 100 - 42 - 4101/3.2=8, 4.7/3449=6...(14) HA VAL 63 - HA THR 107 OK 33 89 - 38 - 10352=6, 3461/3.2=4...(17) HB2 SER 103 - HA THR 107 OK 24 98 - 24 - 7258/3.0=7, 3391/4.8=6...(6) HA GLU 37 - HA THR 107 lone 9 99 - 9 - 3461/3.2=2, 7258/3.0=1 HA GLU 81 - HA THR 107 lone 9 98 - 9 - 7258/3.0=2, 7269/3.6=1 Peak 3449 from cnoeabs.peaks (1.22, 3.71, 66.06 ppm; 3.28 A): 2 out of 4 assignments used, quality = 1.00: * QG2 THR 107 + HA THR 107 OK 100 100 - 100 - 3.2=100 HD3 LYS 123 + HA THR 107 OK 49 100 - 49 - 3457/3.0=8, 7259/3.0=5...(25) HG12 ILE 101 - HA THR 107 OK 22 81 - 26 - 3457/3.0=4, ~9245=3...(13) HB3 LEU 87 - HA THR 107 lone 5 72 - 7 - Peak 3450 from cnoeabs.peaks (8.51, 3.71, 66.06 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 108 + HA THR 107 OK 100 100 - 100 - 3.6=100 H LYS 48 - HA THR 107 OK 35 100 - 35 - 7260/3.0=9, 3458/3.0=8...(9) Peak 3451 from cnoeabs.peaks (7.82, 3.71, 66.06 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.84: * H THR 110 + HA THR 107 OK 84 100 - 84 - 4.1/3452=29, 7303/3.6=28...(11) H GLY 94 - HA THR 107 lone 7 81 - 9 - 3.2/7082=1 H TYR 27 - HA THR 107 lone 6 100 - 6 - ~7250=2 H SER 44 - HA THR 107 lone 6 94 - 6 - 3599/9241=2, 3594/3452=2 H LEU 26 - HA THR 107 lone 4 99 - 4 - H TRP 17 - HA THR 107 lone 1 62 - 1 - Peak 3452 from cnoeabs.peaks (4.11, 3.71, 66.06 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.76: * HB THR 110 + HA THR 107 OK 76 100 - 76 - 3593=39, 2.1/9241=29...(7) HA PRO 52 - HA THR 107 lone 4 89 - 5 - 3601/9241=2, 7314/3451=1 HA THR 99 - HA THR 107 lone 3 99 - 3 - ~10118=1 HD3 PRO 33 - HA THR 107 lone 2 72 - 2 - Peak 3453 from cnoeabs.peaks (3.84, 4.02, 68.28 ppm; 3.76 A): 5 out of 7 assignments used, quality = 0.77: * HA ALA 104 + HB THR 107 OK 47 100 - 47 - 3403=21, 3402/4.1=9...(11) HB2 SER 100 + HB THR 107 OK 37 89 - 42 - ~10473=10, 11044/2.1=8...(11) HA GLN 133 + HB THR 107 OK 15 94 - 16 - 7247/4.1=3, 7263/4.7=2...(5) HD2 PRO 118 + HB THR 107 OK 11 81 - 14 - 4.6/9236=4, 4.8/9387=2...(6) HA LEU 72 + HB THR 107 OK 10 89 - 11 - 7263/4.7=2, 7247/4.1=2 HA MET 68 - HB THR 107 lone 10 100 - 10 - 3403=2, 7247/4.1=2, 7263/4.7=1 HB2 SER 127 - HB THR 107 lone 6 100 - 6 - Peak 3454 from cnoeabs.peaks (8.15, 4.02, 68.28 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.92: * H THR 107 + HB THR 107 OK 90 100 - 90 - 4.1=70, 7259/2.1=22...(13) H SER 138 + HB THR 107 OK 19 94 - 20 - 3446/3.0=6, 3459/2.1=5...(4) H HIS 14 - HB THR 107 lone 2 77 - 3 - Peak 3455 from cnoeabs.peaks (3.71, 4.02, 68.28 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 107 + HB THR 107 OK 100 100 - 100 - 3.0=100 HA LEU 108 + HB THR 107 OK 57 85 - 67 - 2.8/3458=22, ~3463=13...(12) HA ILE 136 - HB THR 107 OK 40 99 - 41 - 3460/2.1=9, 3.2/9243=6...(12) HA ILE 91 - HB THR 107 OK 23 85 - 27 - 3460/2.1=4, ~9253=3...(11) HB THR 74 - HB THR 107 OK 10 99 - 10 - 3460/2.1=2, 7271/4.7=2 Peak 3456 from cnoeabs.peaks (4.02, 4.02, 68.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 107 + HB THR 107 OK 100 100 - 100 Peak 3457 from cnoeabs.peaks (1.22, 4.02, 68.28 ppm; 3.13 A): 2 out of 4 assignments used, quality = 1.00: * QG2 THR 107 + HB THR 107 OK 100 100 - 100 - 2.1=100 HD3 LYS 123 + HB THR 107 OK 58 100 - 58 - 4163=11, 1.8/4152=9...(22) HG12 ILE 101 - HB THR 107 OK 28 81 - 34 - 4163=4, 2.1/9243=4...(14) HB3 LEU 87 - HB THR 107 lone 7 72 - 10 - ~9252=1 Peak 3458 from cnoeabs.peaks (8.51, 4.02, 68.28 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.93: * H LEU 108 + HB THR 107 OK 90 100 - 90 - 4.7=67, 3.2/3454=26...(11) H LYS 48 + HB THR 107 OK 28 100 - 28 - 3463/2.1=8, 3450/3.0=7...(6) Peak 3459 from cnoeabs.peaks (8.15, 1.22, 21.95 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * H THR 107 + QG2 THR 107 OK 100 100 - 100 - 4.0=100 H SER 138 - QG2 THR 107 OK 24 94 - 25 - 3446/3.2=9, 3454/2.1=8...(5) H HIS 14 - QG2 THR 107 lone 2 77 - 3 - Peak 3460 from cnoeabs.peaks (3.71, 1.22, 21.95 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 107 + QG2 THR 107 OK 100 100 - 100 - 3.2=100 HA LEU 108 + QG2 THR 107 OK 53 85 - 62 - 4.0/9246=19, 2.8/3463=16...(13) HA ILE 136 - QG2 THR 107 OK 37 99 - 38 - 3.2/9245=7, 3455/2.1=6...(14) HA ILE 91 - QG2 THR 107 OK 19 85 - 22 - 3.0/9253=4, 3455/2.1=4...(8) HB THR 74 - QG2 THR 107 OK 10 99 - 10 - 3455/2.1=2, 7271/4.4=1 Peak 3461 from cnoeabs.peaks (4.02, 1.22, 21.95 ppm; 3.33 A): 2 out of 7 assignments used, quality = 1.00: * HB THR 107 + QG2 THR 107 OK 100 100 - 100 - 2.1=100 HA LYS 123 + QG2 THR 107 OK 47 100 - 47 - 4101=11, 3.0/4113=5...(17) HB3 SER 100 - QG2 THR 107 OK 34 98 - 35 - 10473/3.2=11...(9) HA VAL 63 - QG2 THR 107 OK 25 89 - 28 - 3.0/9251=4, 10352/3.2=3...(15) HB2 SER 103 - QG2 THR 107 OK 11 98 - 11 - 7258/4.0=4, 3448/3.2=2...(4) HA GLU 37 - QG2 THR 107 lone 10 99 - 10 - 3.8/9253=2 HA GLU 81 - QG2 THR 107 lone 8 98 - 8 - Peak 3462 from cnoeabs.peaks (1.22, 1.22, 21.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 107 + QG2 THR 107 OK 100 100 - 100 Peak 3463 from cnoeabs.peaks (8.51, 1.22, 21.95 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 108 + QG2 THR 107 OK 98 100 - 98 - 4.4=89, 3458/2.1=29...(12) H LYS 48 - QG2 THR 107 OK 31 100 - 31 - 3458/2.1=9, 3450/3.2=7...(8) Peak 3464 from cnoeabs.peaks (8.51, 3.72, 57.78 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 108 + HA LEU 108 OK 100 100 - 100 - 2.8=100 H LYS 48 + HA LEU 108 OK 47 100 - 48 - 3509/3.8=9, 7284/3.6=8...(10) Peak 3465 from cnoeabs.peaks (3.72, 3.72, 57.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 108 + HA LEU 108 OK 100 100 - 100 Peak 3466 from cnoeabs.peaks (0.93, 3.72, 57.78 ppm; 3.68 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 108 + HA LEU 108 OK 100 100 - 100 - 3.0=100 HB2 LEU 64 + HA LEU 108 OK 47 85 - 55 - 3.2/11018=10, 3487/3.0=6...(23) QG2 ILE 91 + HA LEU 108 OK 45 100 - 45 - 8970/4.0=10, 8970/3.8=9...(15) QG2 VAL 63 - HA LEU 108 OK 44 100 - 44 - 3487/3.0=5, 2.1/3473=5...(19) QD2 LEU 29 - HA LEU 108 OK 13 68 - 19 - 3487/3.0=2, 3503/4.0=2...(9) Peak 3467 from cnoeabs.peaks (1.19, 3.72, 57.78 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 108 + HA LEU 108 OK 100 100 - 100 - 3.0=100 QD1 LEU 26 + HA LEU 108 OK 47 94 - 49 - 10906/3.0=9, 3512/3.8=5...(18) HG13 ILE 56 - HA LEU 108 OK 32 68 - 48 - 2.1/10223=12, 3479/3.0=5...(21) HG12 ILE 56 - HA LEU 108 OK 29 62 - 47 - 2.1/10223=12, 3479/3.0=4...(21) Peak 3468 from cnoeabs.peaks (1.61, 3.72, 57.78 ppm; 4.17 A): 2 out of 13 assignments used, quality = 1.00: * HG LEU 108 + HA LEU 108 OK 100 100 - 100 - 3.7=100 HB3 LEU 64 + HA LEU 108 OK 56 89 - 63 - 3.2/11018=13, 1.8/3466=8...(23) HG3 LYS 48 - HA LEU 108 OK 35 96 - 36 - 1183/2.8=9, ~1172=6...(12) HG3 ARG 49 - HA LEU 108 OK 32 94 - 34 - 3494=7, 3498/4.0=5...(9) HB2 LEU 97 - HA LEU 108 OK 27 100 - 27 - 3.1/11018=9, 3489/3.0=3...(10) HG2 ARG 144 - HA LEU 108 OK 17 98 - 17 - 3480/3.0=2, 3489/3.0=2...(10) HB2 LEU 79 - HA LEU 108 OK 16 77 - 21 - ~10546=4, 7288/3.6=3...(9) HG3 ARG 144 - HA LEU 108 OK 15 89 - 17 - 3480/3.0=2, 3489/3.0=2...(9) HB2 LEU 87 - HA LEU 108 OK 12 92 - 14 - 3505/4.0=2, 3513/3.8=2...(6) HG2 ARG 141 - HA LEU 108 lone 10 100 - 9 - 3513/3.8=1, 3489/3.0=1...(5) HD2 LYS 61 - HA LEU 108 poor 8 68 - 12 - 7288/3.6=2, 1705/4.9=2 HD3 LYS 61 - HA LEU 108 poor 8 68 - 12 - 7288/3.6=2, 1716/4.9=2 HG3 LYS 36 - HA LEU 108 lone 4 68 - 6 - 7288/3.6=1, 1183/2.8=1 Peak 3469 from cnoeabs.peaks (0.73, 3.72, 57.78 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.87: * QD2 LEU 108 + HA LEU 108 OK 87 100 - 87 - 3502=46, 7275/2.8=19...(20) Peak 3470 from cnoeabs.peaks (0.75, 3.72, 57.78 ppm; 3.03 A): 3 out of 5 assignments used, quality = 0.94: * QD1 LEU 108 + HA LEU 108 OK 88 100 - 88 - 3.8=51, 2.1/3502=29...(17) QD1 LEU 72 + HA LEU 108 OK 35 81 - 43 - 3510=11, 3491/3.0=4...(19) QD2 LEU 72 + HA LEU 108 OK 28 62 - 45 - 2.1/3510=8, 3491/3.0=3...(25) QG2 VAL 73 - HA LEU 108 OK 26 89 - 29 - 2.1/10220=6, 3482/3.0=3...(12) QD1 ILE 136 - HA LEU 108 OK 19 85 - 22 - 7276/2.8=3, 7290/3.6=2...(9) Peak 3471 from cnoeabs.peaks (7.34, 3.72, 57.78 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 109 + HA LEU 108 OK 100 100 - 100 - 3.6=100 QD PHE 43 - HA LEU 108 OK 32 96 - 34 - 7277/2.8=6, 3492/3.0=6...(9) H GLU 81 - HA LEU 108 OK 17 68 - 25 - 10225/4.0=6, 3492/3.0=5...(7) Peak 3472 from cnoeabs.peaks (8.53, 3.72, 57.78 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.81: * H GLN 111 + HA LEU 108 OK 78 100 - 78 - 7299/3.6=26...(11) H MET 46 + HA LEU 108 OK 16 89 - 17 - 7299/3.6=5, 6392/2.8=5...(4) H CYS 121 - HA LEU 108 lone 2 68 - 3 - 7299/3.6=1 Peak 3473 from cnoeabs.peaks (2.00, 3.72, 57.78 ppm; 4.25 A): 4 out of 10 assignments used, quality = 0.93: QE MET 59 + HA LEU 108 OK 66 92 - 72 - 10408/4.0=28, 10403=27...(11) * HB2 GLN 111 + HA LEU 108 OK 55 100 - 55 - 3.9/3472=20, 3616=20...(7) HB VAL 63 + HA LEU 108 OK 41 94 - 44 - 2.1/3466=7, 2.1/3466=7...(13) QE MET 113 + HA LEU 108 OK 27 98 - 28 - 9331/4.0=5, 9333/10224=4...(8) QE MET 11 - HA LEU 108 OK 19 98 - 19 - 10592=10, 10598/3.7=3 HG3 PRO 52 - HA LEU 108 OK 12 99 - 13 - 3616=4, 9288/10177=3...(4) HB2 GLU 142 - HA LEU 108 lone 5 72 - 6 - 10232/3.8=1, 10170/4.0=1 HB3 GLU 90 - HA LEU 108 lone 4 92 - 4 - ~10972=1 HG3 GLU 122 - HA LEU 108 lone 4 94 - 4 - HB3 GLU 37 - HA LEU 108 lone 1 72 - 2 - Peak 3474 from cnoeabs.peaks (1.90, 3.72, 57.78 ppm; 4.55 A): 5 out of 10 assignments used, quality = 0.88: * HB3 GLN 111 + HA LEU 108 OK 57 100 - 57 - 3.9/3472=23, 1.8/3616=23...(6) HB3 LEU 69 + HA LEU 108 OK 54 94 - 57 - 3.2/10224=27, ~9894=7...(16) HB ILE 136 + HA LEU 108 OK 22 68 - 32 - 2.5/3470=5, ~7276=3...(15) QE MET 68 + HA LEU 108 OK 15 89 - 17 - 8424/3.8=4, ~11478=3...(5) HB ILE 101 + HA LEU 108 OK 12 100 - 12 - 1635/10403=2, ~7270=2...(5) HB3 ARG 141 - HA LEU 108 lone 7 85 - 8 - 10131/11018=1, 2.8/3468=1 HB2 LYS 24 - HA LEU 108 lone 6 100 - 6 - HB3 ARG 140 - HA LEU 108 lone 5 96 - 5 - HB3 LYS 93 - HA LEU 108 lone 4 94 - 5 - HB3 ARG 89 - HA LEU 108 lone 4 100 - 4 - 2047/10224=1 Peak 3476 from cnoeabs.peaks (8.51, 0.93, 41.53 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.6=100 H LYS 48 + HB2 LEU 108 OK 65 100 - 65 - 3485/1.8=16, 3501/3.2=14...(12) Peak 3477 from cnoeabs.peaks (3.72, 0.93, 41.53 ppm; 4.47 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.0=100 HA THR 107 + HB2 LEU 108 OK 65 85 - 76 - ~9246=16, 3502/3.2=13...(18) HB THR 74 - HB2 LEU 108 OK 31 96 - 32 - 3486/1.8=5, 3502/3.2=4...(10) HA ILE 136 - HB2 LEU 108 OK 21 68 - 32 - 3486/1.8=4, 7268/3.6=3...(16) Peak 3478 from cnoeabs.peaks (0.93, 0.93, 41.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 108 + HB2 LEU 108 OK 100 100 - 100 Peak 3479 from cnoeabs.peaks (1.19, 0.93, 41.53 ppm; 3.87 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 1.8=100 QD1 LEU 26 + HB2 LEU 108 OK 62 94 - 66 - 10906=14, 2.1/10569=8...(19) HG13 ILE 56 - HB2 LEU 108 OK 44 68 - 65 - ~10223=9, 3504/3.2=6...(34) HG12 ILE 56 - HB2 LEU 108 OK 40 62 - 64 - ~10223=9, 3504/3.2=5...(33) Peak 3480 from cnoeabs.peaks (1.61, 0.93, 41.53 ppm; 4.86 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HB2 LEU 108 OK 78 89 - 88 - ~9266=10, ~11018=10...(38) HG3 ARG 49 + HB2 LEU 108 OK 55 94 - 58 - 3498/3.2=8, 3489/1.8=7...(27) HG3 LYS 48 - HB2 LEU 108 OK 35 96 - 36 - 1183/3.6=10, 4.9/3476=8...(9) HB2 LEU 97 - HB2 LEU 108 OK 33 100 - 34 - ~11018=7, 3489/1.8=4...(13) HG2 ARG 144 - HB2 LEU 108 OK 30 98 - 30 - 3489/1.8=3, 3505/3.2=3...(14) HB2 LEU 87 - HB2 LEU 108 OK 28 92 - 30 - 8880/10010=4, 3505/3.2=3...(11) HG3 ARG 144 - HB2 LEU 108 OK 27 89 - 30 - 3489/1.8=3, 3505/3.2=3...(14) HB2 LEU 79 - HB2 LEU 108 OK 26 77 - 34 - 3.0/10546=7, ~10545=4...(14) HG2 ARG 141 - HB2 LEU 108 OK 15 100 - 14 - 3489/1.8=2, 3513/3.2=2...(5) HD2 LYS 61 - HB2 LEU 108 OK 11 68 - 16 - 7288/4.4=2, 3489/1.8=1...(6) HD3 LYS 61 - HB2 LEU 108 OK 11 68 - 16 - 7288/4.4=2, 3489/1.8=1...(5) HG3 LYS 36 - HB2 LEU 108 poor 7 68 - 11 - ~10173=2, 7288/4.4=1, 1183/3.6=1 Peak 3481 from cnoeabs.peaks (0.73, 0.93, 41.53 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.2=100 Peak 3482 from cnoeabs.peaks (0.75, 0.93, 41.53 ppm; 3.65 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.2=100 QD1 LEU 72 + HB2 LEU 108 OK 57 81 - 70 - 3510/3.0=9, 3511=8...(36) QD2 LEU 72 + HB2 LEU 108 OK 46 62 - 74 - 3.2/8536=7, 2.1/3511=7...(43) QG2 VAL 73 + HB2 LEU 108 OK 46 89 - 51 - ~10220=6, 3491/1.8=5...(22) QD1 ILE 136 - HB2 LEU 108 OK 28 85 - 32 - 3491/1.8=4, 3470/3.0=3...(13) Peak 3485 from cnoeabs.peaks (8.51, 1.19, 41.53 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.6=100 H LYS 48 + HB3 LEU 108 OK 65 100 - 65 - 3476/1.8=16, 3501/3.2=14...(12) Peak 3486 from cnoeabs.peaks (3.72, 1.19, 41.53 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.0=100 HA THR 107 + HB3 LEU 108 OK 68 85 - 80 - ~9246=18, 3502/3.2=14...(18) HB THR 74 - HB3 LEU 108 OK 32 96 - 33 - 3477/1.8=6, 3502/3.2=4...(11) HA ILE 136 - HB3 LEU 108 OK 22 68 - 33 - 3477/1.8=4, 7268/3.6=4...(15) Peak 3487 from cnoeabs.peaks (0.93, 1.19, 41.53 ppm; 3.79 A): 4 out of 5 assignments used, quality = 1.00: * HB2 LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 1.8=100 QG2 ILE 91 + HB3 LEU 108 OK 63 100 - 64 - 8970/3.2=14, 8970/3.2=12...(25) HB2 LEU 64 + HB3 LEU 108 OK 59 85 - 70 - 3503/3.2=7, 3511/3.2=6...(34) QG2 VAL 63 + HB3 LEU 108 OK 54 100 - 54 - 1805/1.8=6, 3466/3.0=5...(21) QD2 LEU 29 - HB3 LEU 108 OK 17 68 - 24 - 3503/3.2=3, 3466/3.0=2...(11) Peak 3488 from cnoeabs.peaks (1.19, 1.19, 41.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 108 + HB3 LEU 108 OK 100 100 - 100 Peak 3489 from cnoeabs.peaks (1.61, 1.19, 41.53 ppm; 4.15 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HB3 LEU 108 OK 70 89 - 79 - 1.8/3487=9, ~9266=7...(37) HG3 ARG 49 + HB3 LEU 108 OK 46 94 - 49 - 3498/3.2=7, 3480/1.8=5...(27) HB2 LEU 97 - HB3 LEU 108 OK 27 100 - 28 - ~11018=5, 3480/1.8=3...(9) HG3 LYS 48 - HB3 LEU 108 OK 27 96 - 28 - 1183/3.6=8, 4.9/3485=6...(9) HG2 ARG 144 - HB3 LEU 108 OK 23 98 - 23 - 3480/1.8=3, 3505/3.2=3...(11) HG3 ARG 144 - HB3 LEU 108 OK 21 89 - 23 - 3480/1.8=3, 3505/3.2=2...(13) HB2 LEU 87 - HB3 LEU 108 OK 20 92 - 22 - 8880/8800=4, 3505/3.2=3...(9) HB2 LEU 79 - HB3 LEU 108 OK 20 77 - 26 - ~10546=4, 3.0/10545=3...(10) HG2 ARG 141 - HB3 LEU 108 OK 12 100 - 11 - 3513/3.2=1, 3480/1.8=1 HD2 LYS 61 - HB3 LEU 108 poor 8 68 - 11 - 7288/4.4=2, 3480/1.8=1 HD3 LYS 61 - HB3 LEU 108 poor 8 68 - 11 - 7288/4.4=2, 3480/1.8=1 HG3 LYS 36 - HB3 LEU 108 lone 6 68 - 9 - ~10173=2 Peak 3490 from cnoeabs.peaks (0.73, 1.19, 41.53 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.2=100 Peak 3491 from cnoeabs.peaks (0.75, 1.19, 41.53 ppm; 3.66 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.2=100 QD1 LEU 72 + HB3 LEU 108 OK 57 81 - 70 - 3510/3.0=9, 3482/1.8=8...(38) QD2 LEU 72 + HB3 LEU 108 OK 46 62 - 74 - 3482/1.8=6, ~8536=5...(45) QG2 VAL 73 - HB3 LEU 108 OK 41 89 - 46 - 3482/1.8=6, ~10220=6...(16) QD1 ILE 136 - HB3 LEU 108 OK 28 85 - 33 - 3482/1.8=4, 3470/3.0=3...(13) Peak 3492 from cnoeabs.peaks (7.34, 1.19, 41.53 ppm; 5.62 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 109 + HB3 LEU 108 OK 100 100 - 100 - 4.4=100 QD PHE 43 - HB3 LEU 108 OK 36 96 - 37 - 3471/3.0=9, 10549/1.8=8...(8) H GLU 81 - HB3 LEU 108 OK 28 68 - 42 - 10225/3.2=9, 8776/8800=6...(12) Peak 3493 from cnoeabs.peaks (8.51, 1.61, 26.57 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 108 + HG LEU 108 OK 95 100 - 95 - 5.1=49, 7275/2.1=37...(18) H LYS 48 + HG LEU 108 OK 52 100 - 52 - 3509/2.1=12, 3501/2.1=12...(11) H LEU 108 - HG3 ARG 49 OK 22 68 - 33 - 7274=5, 2.8/3494=5...(12) H LYS 48 - HG3 ARG 49 OK 19 66 - 29 - 6451/5.0=12, 3.0/1142=3...(7) Peak 3494 from cnoeabs.peaks (3.72, 1.61, 26.57 ppm; 4.81 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 108 + HG LEU 108 OK 100 100 - 100 - 3.7=100 HA THR 107 + HG LEU 108 OK 73 85 - 86 - ~9246=25, 3.6/3493=18...(15) HB THR 74 - HG LEU 108 OK 28 96 - 29 - 3477/3.0=5, 3510/2.1=5...(8) HA LEU 108 - HG3 ARG 49 OK 27 68 - 39 - 4.0/3498=7, 3.0/3489=5...(9) HA ILE 136 - HG LEU 108 OK 22 68 - 32 - 3510/2.1=4, 3477/3.0=4...(12) HA THR 107 - HG3 ARG 49 poor 8 51 - 15 - 3.6/3493=4, 3.2/9252=2...(5) HA ILE 136 - HG3 ARG 49 poor 7 38 - 18 - ~10464=4, 10749/3.0=4...(6) HB THR 74 - HG3 ARG 49 lone 5 62 - 8 - ~8607=2, ~8607=2 Peak 3495 from cnoeabs.peaks (0.93, 1.61, 26.57 ppm; 3.67 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 108 + HG LEU 108 OK 100 100 - 100 - 3.0=100 QG2 ILE 91 + HG LEU 108 OK 63 100 - 63 - 8970/2.1=17, 8970/2.1=14...(21) HB2 LEU 64 + HG LEU 108 OK 55 85 - 64 - 3503/2.1=9, 3511/2.1=7...(29) QG2 VAL 63 + HG LEU 108 OK 47 100 - 47 - 3503/2.1=6, 3511/2.1=6...(18) HB2 LEU 108 - HG3 ARG 49 OK 27 68 - 40 - 3.2/3498=6, 3480=4...(21) QD2 LEU 29 - HG LEU 108 OK 13 68 - 20 - 3503/2.1=4, 3511/2.1=2...(7) HB2 LEU 64 - HG3 ARG 49 OK 11 51 - 22 - ~9881=2, ~8368=2, 1819=2...(13) QG2 ILE 91 - HG3 ARG 49 OK 11 67 - 16 - 8974/3.0=5, 10468/3.0=3 QG2 VAL 63 - HG3 ARG 49 poor 7 67 - 11 - 10468/3.0=3, 10467/3.0=1 QD2 LEU 29 - HG3 ARG 49 poor 4 38 - 11 - ~10659=2, ~10661=2...(6) Peak 3496 from cnoeabs.peaks (1.19, 1.61, 26.57 ppm; 3.63 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 108 + HG LEU 108 OK 100 100 - 100 - 3.0=100 QD1 LEU 26 + HG LEU 108 OK 48 94 - 51 - 10906/3.0=9, 3504/2.1=8...(18) HG13 ILE 56 - HG LEU 108 OK 36 68 - 53 - 3504/2.1=7, 3.2/11010=6...(25) HG12 ILE 56 - HG LEU 108 OK 32 62 - 52 - 3.2/11010=6, 3504/2.1=6...(24) HB3 LEU 108 - HG3 ARG 49 OK 27 68 - 39 - 3.2/3498=5, 3489=4...(21) QD1 LEU 26 - HG3 ARG 49 poor 10 59 - 16 - 269/3.0=1, 10548/7156=1 HG13 ILE 56 - HG3 ARG 49 lone 1 38 - 3 - HG12 ILE 56 - HG3 ARG 49 lone 1 35 - 3 - Peak 3497 from cnoeabs.peaks (1.61, 1.61, 26.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 108 + HG LEU 108 OK 100 100 - 100 HG3 ARG 49 + HG3 ARG 49 OK 59 59 - 100 Peak 3498 from cnoeabs.peaks (0.73, 1.61, 26.57 ppm; 2.86 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 108 + HG LEU 108 OK 100 100 - 100 - 2.1=100 QD2 LEU 108 - HG3 ARG 49 OK 20 68 - 29 - 3505=5, 2.1/3513=3...(9) Peak 3499 from cnoeabs.peaks (0.75, 1.61, 26.57 ppm; 2.75 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 108 + HG LEU 108 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 - HG LEU 108 OK 37 81 - 46 - 3507/2.1=5, 3513=5...(27) QD2 LEU 72 - HG LEU 108 OK 28 62 - 45 - 3507/2.1=4, 2.1/3513=4...(26) QG2 VAL 73 - HG LEU 108 OK 19 89 - 22 - 3507/2.1=4, 3482/3.0=3...(9) QD1 LEU 108 - HG3 ARG 49 OK 18 68 - 27 - 3513=4, 2.1/3505=3...(8) QD1 ILE 136 - HG LEU 108 OK 14 85 - 16 - 3507/2.1=2, 3491/3.0=2...(5) QD1 ILE 136 - HG3 ARG 49 poor 7 51 - 13 - 9669/3.0=4, 9688/3.0=1...(4) QG2 VAL 73 - HG3 ARG 49 lone 3 54 - 6 - 9924/3.9=2, 8596/1.8=1 QD1 LEU 72 - HG3 ARG 49 lone 1 48 - 3 - QD2 LEU 72 - HG3 ARG 49 lone 1 35 - 2 - Peak 3500 from cnoeabs.peaks (7.34, 1.61, 26.57 ppm; 4.42 A): 4 out of 6 assignments used, quality = 0.92: * H ARG 109 + HG LEU 108 OK 84 100 - 84 - 7289/2.1=44, 7287/3.0=26...(9) QD PHE 43 + HG LEU 108 OK 23 96 - 23 - 10225/2.1=6, 3471/3.7=5...(6) H ARG 109 + HG3 ARG 49 OK 20 68 - 30 - 3.6/3494=5, 7288=4...(10) H GLU 81 + HG LEU 108 OK 16 68 - 24 - 10225/2.1=7, ~8792=5...(7) H GLU 81 - HG3 ARG 49 poor 7 38 - 19 - 8777/3.0=6, 4.0/1276=3...(6) QD PHE 43 - HG3 ARG 49 lone 5 62 - 8 - ~9829=3, ~10665=2, ~4742=1 Peak 3501 from cnoeabs.peaks (8.51, 0.73, 23.80 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 108 + QD2 LEU 108 OK 96 100 - 96 - 4.8=52, 2.8/3469=38...(21) H LYS 48 + QD2 LEU 108 OK 46 100 - 46 - 3509/2.1=11, 3493/2.1=9...(12) Peak 3502 from cnoeabs.peaks (3.72, 0.73, 23.80 ppm; 2.91 A): 4 out of 4 assignments used, quality = 0.94: * HA LEU 108 + QD2 LEU 108 OK 85 100 - 85 - 3469=44, 2.8/7275=17...(19) HA THR 107 + QD2 LEU 108 OK 47 85 - 55 - 3.6/7275=14, 3.2/9246=9...(18) HB THR 74 + QD2 LEU 108 OK 15 96 - 16 - 3510/2.1=3, 3477/3.2=2...(5) HA ILE 136 + QD2 LEU 108 OK 10 68 - 15 - 3510/2.1=2, 3477/3.2=1...(4) Peak 3503 from cnoeabs.peaks (0.93, 0.73, 23.80 ppm; 2.61 A): 3 out of 5 assignments used, quality = 0.96: * HB2 LEU 108 + QD2 LEU 108 OK 86 100 - 86 - 3.2=56, 3.0/3469=17...(22) QG2 ILE 91 + QD2 LEU 108 OK 56 100 - 56 - 8970=18, 8970/2.1=9...(19) HB2 LEU 64 + QD2 LEU 108 OK 36 85 - 42 - 3503=9, 3.0/9266=6...(14) QG2 VAL 63 - QD2 LEU 108 OK 30 100 - 30 - 2.1/3503=4, 3511/2.1=4...(11) QD2 LEU 29 - QD2 LEU 108 poor 10 68 - 14 - 3503=4, 3511/2.1=1, 3487/3.2=1 Peak 3504 from cnoeabs.peaks (1.19, 0.73, 23.80 ppm; 2.66 A): 3 out of 4 assignments used, quality = 0.94: * HB3 LEU 108 + QD2 LEU 108 OK 88 100 - 88 - 3.2=60, 3.0/3469=18...(20) QD1 LEU 26 + QD2 LEU 108 OK 32 94 - 34 - 3512/2.1=5, 10906/3.2=5...(14) HG13 ILE 56 + QD2 LEU 108 OK 27 68 - 40 - 3504=6, 3.0/10170=5...(16) HG12 ILE 56 - QD2 LEU 108 OK 23 62 - 36 - 3.0/10170=5, 1.8/3504=4...(15) Peak 3505 from cnoeabs.peaks (1.61, 0.73, 23.80 ppm; 2.97 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 108 + QD2 LEU 108 OK 100 100 - 100 - 2.1=100 HB3 LEU 64 - QD2 LEU 108 OK 45 89 - 50 - 3.0/9266=8, 1.8/3503=7...(25) HG3 ARG 49 - QD2 LEU 108 OK 31 94 - 33 - 3498=8, 3513/2.1=3...(10) HB2 LEU 87 - QD2 LEU 108 OK 19 92 - 20 - 8881/8810=4, 8880/8798=3...(6) HG3 LYS 48 - QD2 LEU 108 OK 18 96 - 19 - 4.9/3501=3, 1183/4.8=3...(6) HB2 LEU 97 - QD2 LEU 108 OK 18 100 - 18 - 3505=3, 3513/2.1=2...(5) HG2 ARG 144 - QD2 LEU 108 OK 16 98 - 16 - 3505=3, 1.8/3505=2...(5) HG3 ARG 144 - QD2 LEU 108 OK 14 89 - 16 - 3505=3, 1.8/3505=2, 3513/2.1=2 HB2 LEU 79 - QD2 LEU 108 OK 10 77 - 14 - 3505=2, ~10546=1, 3513/2.1=1 HG2 ARG 141 - QD2 LEU 108 lone 7 100 - 7 - 3505=1, 3513/2.1=1 HD2 LYS 61 - QD2 LEU 108 lone 5 68 - 7 - 3505=1 HD3 LYS 61 - QD2 LEU 108 lone 4 68 - 6 - HG3 LYS 36 - QD2 LEU 108 lone 3 68 - 5 - Peak 3506 from cnoeabs.peaks (0.73, 0.73, 23.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 108 + QD2 LEU 108 OK 100 100 - 100 Peak 3507 from cnoeabs.peaks (0.75, 0.73, 23.80 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 108 + QD2 LEU 108 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 - QD2 LEU 108 OK 34 81 - 42 - 3499/2.1=4, 3510/4.0=3...(18) QD2 LEU 72 - QD2 LEU 108 OK 27 62 - 44 - 2154/2.1=3, 3499/2.1=3...(25) QG2 VAL 73 - QD2 LEU 108 OK 27 89 - 30 - 11036/8810=5...(12) QD1 ILE 136 - QD2 LEU 108 OK 16 85 - 18 - 9685/10174=2, 3499/2.1=1...(4) Peak 3509 from cnoeabs.peaks (8.51, 0.75, 26.39 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.96: * H LEU 108 + QD1 LEU 108 OK 96 100 - 96 - 4.4=61, 7275/2.1=33...(19) H LYS 48 - QD1 LEU 108 OK 43 100 - 43 - 3501/2.1=10, 3493/2.1=8...(10) Peak 3510 from cnoeabs.peaks (3.72, 0.75, 26.39 ppm; 3.29 A): 2 out of 4 assignments used, quality = 0.97: * HA LEU 108 + QD1 LEU 108 OK 94 100 - 94 - 3.8=66, 3469/2.1=36...(17) HA THR 107 + QD1 LEU 108 OK 56 85 - 66 - 3.6/3509=13, 3502/2.1=11...(18) HB THR 74 - QD1 LEU 108 OK 19 96 - 19 - 3502/2.1=4, 3477/3.2=2...(8) HA ILE 136 - QD1 LEU 108 OK 14 68 - 21 - 3502/2.1=2, 3.2/4617=2...(10) Peak 3511 from cnoeabs.peaks (0.93, 0.75, 26.39 ppm; 2.65 A): 3 out of 5 assignments used, quality = 0.96: * HB2 LEU 108 + QD1 LEU 108 OK 86 100 - 86 - 3.2=58, 1.8/3512=17...(17) QG2 ILE 91 + QD1 LEU 108 OK 57 100 - 57 - 8970=13, 8970/2.1=11...(19) HB2 LEU 64 + QD1 LEU 108 OK 35 85 - 41 - 3511=6, 3503/2.1=6...(14) QG2 VAL 63 - QD1 LEU 108 OK 30 100 - 30 - 3503/2.1=4, 2.1/3511=3...(11) QD2 LEU 29 - QD1 LEU 108 poor 9 68 - 13 - 3511=2, 3503/2.1=2, 3487/3.2=1 Peak 3512 from cnoeabs.peaks (1.19, 0.75, 26.39 ppm; 2.70 A): 4 out of 4 assignments used, quality = 0.94: * HB3 LEU 108 + QD1 LEU 108 OK 87 100 - 87 - 3.2=61, 3504/2.1=15...(19) QD1 LEU 26 + QD1 LEU 108 OK 29 94 - 31 - 3504/2.1=6, 10906/3.2=5...(11) HG13 ILE 56 + QD1 LEU 108 OK 21 68 - 32 - 3504/2.1=5, 3496/2.1=3...(16) HG12 ILE 56 + QD1 LEU 108 OK 19 62 - 31 - 3504/2.1=4, 3496/2.1=2...(16) Peak 3513 from cnoeabs.peaks (1.61, 0.75, 26.39 ppm; 2.89 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 108 + QD1 LEU 108 OK 100 100 - 100 - 2.1=100 HB3 LEU 64 - QD1 LEU 108 OK 41 89 - 46 - 1.8/3511=6, 3505/2.1=4...(20) HG3 ARG 49 - QD1 LEU 108 OK 29 94 - 30 - 3498/2.1=5, 3513=4...(9) HG3 LYS 48 - QD1 LEU 108 OK 19 96 - 19 - 1183/4.4=3, 4.9/3509=3...(6) HB2 LEU 97 - QD1 LEU 108 OK 17 100 - 17 - 3513=2, 3505/2.1=2...(6) HG2 ARG 144 - QD1 LEU 108 OK 15 98 - 15 - 3513=2, 3505/2.1=2, 1.8/3513=1 HG3 ARG 144 - QD1 LEU 108 OK 13 89 - 15 - 3513=2, 3505/2.1=2...(4) HB2 LEU 87 - QD1 LEU 108 OK 13 92 - 14 - 3.0/10231=3, 3505/2.1=2, 3513=1 HB2 LEU 79 - QD1 LEU 108 poor 10 77 - 13 - 3513=1, ~10546=1, 3505/2.1=1 HG2 ARG 141 - QD1 LEU 108 lone 9 100 - 9 - 3.8/9259=2, 3513=1 HG3 LYS 36 - QD1 LEU 108 lone 4 68 - 6 - 1.8/10173=1 HD2 LYS 61 - QD1 LEU 108 lone 4 68 - 6 - HD3 LYS 61 - QD1 LEU 108 lone 4 68 - 6 - Peak 3514 from cnoeabs.peaks (0.73, 0.75, 26.39 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 108 + QD1 LEU 108 OK 100 100 - 100 - 2.1=100 Peak 3515 from cnoeabs.peaks (0.75, 0.75, 26.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 108 + QD1 LEU 108 OK 100 100 - 100 Peak 3517 from cnoeabs.peaks (7.34, 3.61, 60.23 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 109 + HA ARG 109 OK 100 100 - 100 - 2.9=100 QD PHE 43 - HA ARG 109 OK 32 96 - 33 - 7305/3.6=7, 3530/3.0=5...(11) H GLU 81 - HA ARG 109 OK 21 68 - 31 - 3530/3.0=5, 3540/3.0=4...(14) Peak 3518 from cnoeabs.peaks (3.61, 3.61, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 109 + HA ARG 109 OK 100 100 - 100 Peak 3519 from cnoeabs.peaks (1.38, 3.61, 60.23 ppm; 4.00 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 109 + HA ARG 109 OK 100 100 - 100 - 3.0=100 HB2 LEU 69 + HA ARG 109 OK 49 100 - 49 - 3.2/10176=8, 3542/3.0=5...(23) HB VAL 82 - HA ARG 109 OK 40 89 - 44 - ~9977=6, ~9974=6...(16) HB3 LEU 39 - HA ARG 109 OK 36 99 - 37 - 3.2/9272=7, 3542/3.0=4...(17) HG2 ARG 49 - HA ARG 109 OK 26 96 - 27 - 3542/3.0=3, 7292/2.9=2...(17) HG LEU 132 - HA ARG 109 OK 24 100 - 24 - 7292/2.9=2, 3542/3.0=2...(11) HG2 LYS 86 - HA ARG 109 OK 24 85 - 28 - 3.9/9276=3, 3542/3.0=3...(16) Peak 3520 from cnoeabs.peaks (1.72, 3.61, 60.23 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 109 + HA ARG 109 OK 100 100 - 100 - 3.0=100 HG LEU 66 + HA ARG 109 OK 69 100 - 69 - 2.1/9272=17, 7293/2.9=8...(24) HG3 ARG 89 - HA ARG 109 OK 42 100 - 43 - 3.0/3527=6, 3533/3.0=5...(20) HD2 LYS 36 - HA ARG 109 OK 37 85 - 43 - 3533/3.0=5, 3561/3.9=5...(20) HB3 GLU 81 - HA ARG 109 OK 32 98 - 33 - 7293/2.9=5, 4.0/3517=4...(11) HB3 ARG 144 - HA ARG 109 OK 10 92 - 11 - 7293/2.9=1, 3533/3.0=1 Peak 3521 from cnoeabs.peaks (1.56, 3.61, 60.23 ppm; 3.76 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HA ARG 109 OK 97 100 - 97 - 3.9=91, 3.0/3524=11...(19) HG3 ARG 145 + HA ARG 109 OK 68 99 - 69 - 3562/3.9=6, 3552/3.0=6...(37) HG2 ARG 145 + HA ARG 109 OK 66 96 - 69 - 3562/3.9=6, 3550=6...(36) HB2 LEU 66 + HA ARG 109 OK 47 92 - 51 - 3.1/9272=12, 2.9/3520=6...(20) HD2 LYS 85 - HA ARG 109 OK 36 99 - 36 - 3544/3.0=3, 3534/3.0=3...(20) HB3 LEU 79 - HA ARG 109 OK 33 72 - 46 - 3.1/9271=13, 3.1/8728=9...(20) HD3 LYS 85 - HA ARG 109 OK 25 77 - 33 - 3544/3.0=3, 3.6/3520=3...(20) HG3 ARG 124 - HA ARG 109 OK 20 68 - 30 - 3.0/3524=5, 4237/5.2=3...(13) HB2 LEU 126 - HA ARG 109 OK 19 96 - 20 - 3.1/9272=9, 3534/3.0=2...(7) Peak 3522 from cnoeabs.peaks (1.58, 3.61, 60.23 ppm; 3.76 A): 4 out of 11 assignments used, quality = 1.00: * HG3 ARG 109 + HA ARG 109 OK 98 100 - 98 - 3.9=91, 3561/3.0=18...(17) HG2 ARG 145 + HA ARG 109 OK 56 85 - 66 - 1.8/3550=5, 3.0/3568=5...(38) HG3 ARG 145 + HA ARG 109 OK 50 77 - 64 - 1.8/3550=5, 3.0/3568=5...(37) HB2 LEU 66 + HA ARG 109 OK 46 92 - 50 - 3.1/9272=12, 2.9/3520=6...(19) HG3 ARG 124 - HA ARG 109 OK 35 100 - 35 - 3.0/3524=5, 4237/5.2=5...(14) HD3 LYS 85 - HA ARG 109 OK 34 99 - 35 - 3545/3.0=3, 3535/3.0=3...(21) HD2 LYS 61 - HA ARG 109 OK 25 62 - 40 - 3.6/1661=7, 3.6/1672=7...(16) HD3 LYS 61 - HA ARG 109 OK 25 62 - 40 - 3.6/1661=7, 3.6/1672=7...(16) HD2 LYS 85 - HA ARG 109 OK 25 77 - 32 - 3.6/3520=3, 3545/3.0=2...(19) HG3 LYS 36 - HA ARG 109 OK 19 62 - 31 - 2.9/3520=3, 1.8/3519=3...(15) HB2 LEU 126 - HA ARG 109 OK 16 85 - 18 - 3.1/9272=9, 3535/3.0=1...(4) Peak 3523 from cnoeabs.peaks (3.11, 3.61, 60.23 ppm; 5.82 A): 6 out of 8 assignments used, quality = 1.00: * HD2 ARG 109 + HA ARG 109 OK 100 100 - 100 - 5.2=100 HD2 ARG 145 + HA ARG 109 OK 92 100 - 93 - 3564/3.9=12, 3568=12...(37) HD3 ARG 145 + HA ARG 109 OK 92 99 - 93 - 3564/3.9=12, 1.8/3568=12...(37) HB3 PHE 106 + HA ARG 109 OK 69 85 - 81 - ~3427=18, ~3429=14...(17) HA ALA 105 + HA ARG 109 OK 54 99 - 55 - 10205/2.9=22, ~10207=18...(10) HA LEU 79 + HA ARG 109 OK 51 81 - 62 - 4.0/9271=21, 3.8/8728=19...(16) HB3 ASN 96 - HA ARG 109 lone 10 100 - 10 - 10120/9271=2, 7280/2.9=1 HB3 HIS 10 - HA ARG 109 lone 4 72 - 5 - 4.7/10975=1 Peak 3524 from cnoeabs.peaks (3.30, 3.61, 60.23 ppm; 5.35 A): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 109 + HA ARG 109 OK 100 100 - 100 - 5.2=100 HB2 TRP 88 + HA ARG 109 OK 63 100 - 63 - 5.3/10555=18...(9) HD2 ARG 124 + HA ARG 109 OK 58 100 - 59 - 3565/3.9=11, 3547/3.0=9...(19) HB3 TRP 17 - HA ARG 109 lone 4 77 - 5 - Peak 3525 from cnoeabs.peaks (7.82, 3.61, 60.23 ppm; 5.42 A): 1 out of 6 assignments used, quality = 1.00: * H THR 110 + HA ARG 109 OK 100 100 - 100 - 3.6=100 H GLY 94 - HA ARG 109 OK 31 81 - 38 - 3548/3.0=6, 3538/3.0=6...(11) H SER 44 - HA ARG 109 OK 24 94 - 25 - 5.0/3517=7, 6348/2.9=5...(6) H LEU 26 - HA ARG 109 OK 15 99 - 16 - 7298/2.9=5, 10868/9272=3...(5) H TYR 27 - HA ARG 109 OK 14 100 - 14 - 7298/2.9=3, 3538/3.0=3...(5) H TRP 17 - HA ARG 109 lone 2 62 - 4 - Peak 3526 from cnoeabs.peaks (9.19, 3.61, 60.23 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.94: * H TYR 112 + HA ARG 109 OK 91 100 - 91 - 7354=44, 3.9/10554=26...(16) H ASP 65 + HA ARG 109 OK 31 100 - 31 - 10557/2.9=8, 7317/3.6=8...(11) Peak 3527 from cnoeabs.peaks (3.25, 3.61, 60.23 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.79: * HB2 TYR 112 + HA ARG 109 OK 62 100 - 62 - 4.0/7354=31...(7) HD2 ARG 89 + HA ARG 109 OK 32 98 - 33 - 3.0/3520=6, 2895/3.0=5...(10) HD2 PRO 52 + HA ARG 109 OK 20 100 - 20 - 8231/4.9=11, 7366/7354=4...(4) Peak 3528 from cnoeabs.peaks (3.41, 3.61, 60.23 ppm; 5.96 A): 2 out of 3 assignments used, quality = 0.88: * HB3 TYR 112 + HA ARG 109 OK 80 100 - 80 - 4.0/7354=37...(8) HA THR 74 + HA ARG 109 OK 41 89 - 47 - 3.2/9271=10, 8559/2.9=9...(12) HD2 PRO 98 - HA ARG 109 poor 8 68 - 12 - 7367/7354=3, 3668/3527=2...(5) Peak 3529 from cnoeabs.peaks (3.96, 1.38, 29.64 ppm; 6.12 A): 3 out of 6 assignments used, quality = 0.96: * HA PHE 106 + HB2 ARG 109 OK 89 100 - 89 - 3427/4.0=27, 3429/1.8=27...(26) HA3 GLY 94 + HB2 ARG 109 OK 44 100 - 45 - 3539/1.8=8, 3.0/3538=7...(10) HA LYS 48 + HB2 ARG 109 OK 39 98 - 40 - 7281/4.0=9, 7301/4.6=7...(8) HA ALA 60 - HB2 ARG 109 OK 39 100 - 39 - 4.8/3531=12, 3539/1.8=7...(7) HB3 SER 103 - HB2 ARG 109 OK 21 99 - 21 - 11591/2.8=4, 3539/1.8=4...(7) HA3 GLY 143 - HB2 ARG 109 OK 19 68 - 29 - ~10745=9, ~11637=8...(5) Peak 3530 from cnoeabs.peaks (7.34, 1.38, 29.64 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.94: * H ARG 109 + HB2 ARG 109 OK 94 100 - 94 - 4.0=84, 3540/1.8=24...(11) QD PHE 43 - HB2 ARG 109 OK 21 96 - 22 - 3540/1.8=6, 3517/3.0=5...(7) H GLU 81 - HB2 ARG 109 OK 20 68 - 29 - 3540/1.8=5, 3.4/6894=4...(13) Peak 3531 from cnoeabs.peaks (3.61, 1.38, 29.64 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 3.0=100 HA LYS 61 + HB2 ARG 109 OK 58 96 - 60 - 3541/1.8=13, 7291/4.0=8...(19) HA2 GLY 31 - HB2 ARG 109 OK 21 72 - 29 - 3541/1.8=6, 3559/2.8=5...(11) Peak 3532 from cnoeabs.peaks (1.38, 1.38, 29.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 109 + HB2 ARG 109 OK 100 100 - 100 Peak 3533 from cnoeabs.peaks (1.72, 1.38, 29.64 ppm; 3.35 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 1.8=100 HG LEU 66 + HB2 ARG 109 OK 58 100 - 58 - 3561/2.8=8, ~9272=6...(24) HD2 LYS 36 - HB2 ARG 109 OK 36 85 - 43 - 3561/2.8=5, ~721=3...(23) HG3 ARG 89 - HB2 ARG 109 OK 36 100 - 37 - 2.8/11115=4, 3561/2.8=3...(19) HB3 GLU 81 - HB2 ARG 109 OK 24 98 - 25 - 3561/2.8=3, 4.0/3530=3...(10) HB3 ARG 144 - HB2 ARG 109 lone 8 92 - 9 - Peak 3534 from cnoeabs.peaks (1.56, 1.38, 29.64 ppm; 3.87 A): 5 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 2.8=100 HG3 ARG 145 + HB2 ARG 109 OK 87 99 - 88 - 3562/2.8=8, 3552/1.8=7...(65) HG2 ARG 145 + HB2 ARG 109 OK 85 96 - 88 - 3562/2.8=8, 3551=7...(65) HB2 LEU 66 + HB2 ARG 109 OK 58 92 - 63 - 2.9/3533=7, ~9272=6...(29) HD2 LYS 85 + HB2 ARG 109 OK 54 99 - 55 - 3544/1.8=5, 3.6/3533=4...(32) HD3 LYS 85 - HB2 ARG 109 OK 41 77 - 53 - 3.6/3533=4, 3544/1.8=3...(28) HB3 LEU 79 - HB2 ARG 109 OK 37 72 - 52 - ~8728=6, ~9271=6...(24) HG3 ARG 124 - HB2 ARG 109 OK 37 68 - 55 - 4237/3.6=4, ~4227=4...(30) HB2 LEU 126 - HB2 ARG 109 OK 25 96 - 26 - ~9272=4, 3544/1.8=2...(13) Peak 3535 from cnoeabs.peaks (1.58, 1.38, 29.64 ppm; 3.87 A): 6 out of 11 assignments used, quality = 1.00: * HG3 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 2.8=100 HG2 ARG 145 + HB2 ARG 109 OK 74 85 - 86 - 3.0/3536=6, 3.0/3536=6...(65) HG3 ARG 145 + HB2 ARG 109 OK 66 77 - 86 - 3.0/3536=6, 3.0/3536=6...(65) HG3 ARG 124 + HB2 ARG 109 OK 57 100 - 57 - 4237/3.6=8, ~4227=4...(30) HB2 LEU 66 + HB2 ARG 109 OK 57 92 - 62 - 2.9/3533=7, ~9272=6...(29) HD3 LYS 85 + HB2 ARG 109 OK 53 99 - 54 - 3.6/3533=4, 3545/1.8=4...(30) HD2 LYS 85 - HB2 ARG 109 OK 40 77 - 52 - 3.6/3533=4, ~2606=3...(31) HG3 LYS 36 - HB2 ARG 109 OK 33 62 - 53 - 2.9/3533=5, ~688=4...(32) HD3 LYS 61 - HB2 ARG 109 OK 21 62 - 33 - ~11117=6, 5.2/3531=4...(17) HB2 LEU 126 - HB2 ARG 109 OK 21 85 - 24 - ~9272=4, ~4284=2...(12) HD2 LYS 61 - HB2 ARG 109 OK 21 62 - 33 - ~11117=6, 5.2/3531=4...(17) Peak 3536 from cnoeabs.peaks (3.11, 1.38, 29.64 ppm; 4.10 A): 4 out of 8 assignments used, quality = 1.00: * HD2 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 145 + HB2 ARG 109 OK 91 100 - 91 - 3564/2.8=11, 3546/1.8=10...(74) HD3 ARG 145 + HB2 ARG 109 OK 90 99 - 91 - 3564/2.8=10, 3546/1.8=10...(74) HB3 PHE 106 + HB2 ARG 109 OK 50 85 - 59 - 3.0/3428=10, ~10732=9...(16) HA LEU 79 - HB2 ARG 109 OK 34 81 - 42 - 2364=6, 3.8/11557=5...(18) HA ALA 105 - HB2 ARG 109 OK 27 99 - 27 - 10205/4.0=8, 10202/3.6=8...(6) HB3 ASN 96 - HB2 ARG 109 lone 7 100 - 7 - HB3 HIS 10 - HB2 ARG 109 lone 1 72 - 1 - Peak 3537 from cnoeabs.peaks (3.30, 1.38, 29.64 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 124 + HB2 ARG 109 OK 79 100 - 80 - 3565/2.8=16, 3547/1.8=14...(25) HB2 TRP 88 + HB2 ARG 109 OK 66 100 - 66 - 6.5/10233=19...(10) HB3 TRP 17 - HB2 ARG 109 lone 7 77 - 9 - 3547/1.8=1 Peak 3538 from cnoeabs.peaks (7.82, 1.38, 29.64 ppm; 5.71 A): 1 out of 6 assignments used, quality = 1.00: * H THR 110 + HB2 ARG 109 OK 100 100 - 100 - 4.6=100 H GLY 94 - HB2 ARG 109 OK 33 81 - 41 - 3548/1.8=8, 3525/3.0=6...(10) H SER 44 - HB2 ARG 109 OK 19 94 - 20 - 5.0/3530=6, 6348/4.0=5...(4) H TYR 27 - HB2 ARG 109 OK 15 100 - 15 - 7298/4.0=3, 3548/1.8=3...(6) H LEU 26 - HB2 ARG 109 OK 15 99 - 15 - 7298/4.0=4, 3525/3.0=3...(4) H TRP 17 - HB2 ARG 109 lone 3 62 - 4 - Peak 3539 from cnoeabs.peaks (3.96, 1.72, 29.64 ppm; 4.19 A): 6 out of 6 assignments used, quality = 0.86: * HA PHE 106 + HB3 ARG 109 OK 65 100 - 65 - 3427/4.0=15, 3429=14...(16) HA3 GLY 94 + HB3 ARG 109 OK 23 100 - 23 - 3.0/3548=4, 7281/4.0=4...(9) HA ALA 60 + HB3 ARG 109 OK 21 100 - 21 - 4.8/3541=6, 11591/2.8=4...(6) HA LYS 48 + HB3 ARG 109 OK 19 98 - 19 - 7281/4.0=5, 11591/2.8=3...(6) HB3 SER 103 + HB3 ARG 109 OK 11 99 - 11 - 11591/2.8=2, 7281/4.0=2...(6) HA3 GLY 143 + HB3 ARG 109 OK 10 68 - 15 - 1.8/11637=4, ~10745=4...(4) Peak 3540 from cnoeabs.peaks (7.34, 1.72, 29.64 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.99: * H ARG 109 + HB3 ARG 109 OK 99 100 - 99 - 4.0=99 QD PHE 43 - HB3 ARG 109 OK 24 96 - 25 - 3530/1.8=6, 3517/3.0=6...(7) H GLU 81 - HB3 ARG 109 OK 21 68 - 31 - 3530/1.8=6, 3517/3.0=4...(14) Peak 3541 from cnoeabs.peaks (3.61, 1.72, 29.64 ppm; 4.82 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 3.0=100 HA LYS 61 + HB3 ARG 109 OK 65 96 - 67 - 3531/1.8=13...(22) HA2 GLY 31 - HB3 ARG 109 OK 22 72 - 30 - 3531/1.8=6, 3559/2.8=5...(12) Peak 3542 from cnoeabs.peaks (1.38, 1.72, 29.64 ppm; 3.03 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 1.8=100 HB2 LEU 69 - HB3 ARG 109 OK 32 100 - 32 - 1.8/11118=6, ~11115=3...(17) HB VAL 82 - HB3 ARG 109 OK 28 89 - 32 - 3.0/2476=3, ~2487=3...(17) HB3 LEU 39 - HB3 ARG 109 OK 24 99 - 24 - 3519/3.0=2, 3560/2.8=2...(13) HG2 LYS 86 - HB3 ARG 109 OK 19 85 - 22 - 2.9/11118=4, 3.9/3539=2...(10) HG2 ARG 49 - HB3 ARG 109 OK 18 96 - 19 - 3.9/11120=3, 3519/3.0=1...(8) HG LEU 132 - HB3 ARG 109 OK 15 100 - 15 - 3519/3.0=1, 3560/2.8=1...(7) Peak 3543 from cnoeabs.peaks (1.72, 1.72, 29.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 109 + HB3 ARG 109 OK 100 100 - 100 Peak 3544 from cnoeabs.peaks (1.56, 1.72, 29.64 ppm; 3.70 A): 5 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 2.8=100 HG3 ARG 145 + HB3 ARG 109 OK 85 99 - 86 - 3562/2.8=8, 3552=8...(58) HG2 ARG 145 + HB3 ARG 109 OK 83 96 - 86 - 3562/2.8=8, 1.8/3552=7...(58) HB2 LEU 66 + HB3 ARG 109 OK 59 92 - 64 - 3.1/1918=7, 3.1/1910=7...(33) HD2 LYS 85 + HB3 ARG 109 OK 55 99 - 56 - 3.0/2606=5, 3.0/2617=5...(30) HD3 LYS 85 - HB3 ARG 109 OK 41 77 - 53 - 3.0/2606=5, 3.0/2617=5...(27) HB3 LEU 79 - HB3 ARG 109 OK 37 72 - 51 - ~8728=5, ~9271=5...(26) HG3 ARG 124 - HB3 ARG 109 OK 34 68 - 51 - 3.0/3547=4, 4237/3.6=4...(30) HB2 LEU 126 - HB3 ARG 109 OK 23 96 - 24 - ~9272=4, 3534/1.8=2...(9) Peak 3545 from cnoeabs.peaks (1.58, 1.72, 29.64 ppm; 3.70 A): 6 out of 11 assignments used, quality = 1.00: * HG3 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 2.8=100 HG2 ARG 145 + HB3 ARG 109 OK 72 85 - 84 - 1.8/3552=7, 3.0/3546=7...(58) HG3 ARG 145 + HB3 ARG 109 OK 64 77 - 83 - 3.0/3546=7, 3.0/3546=7...(58) HB2 LEU 66 + HB3 ARG 109 OK 58 92 - 63 - 3.1/1918=7, 3.1/1910=7...(33) HD3 LYS 85 + HB3 ARG 109 OK 54 99 - 55 - 3.0/2606=5, 3.0/2617=5...(30) HG3 ARG 124 + HB3 ARG 109 OK 53 100 - 53 - 4237/3.6=7, 3.0/3547=4...(30) HD2 LYS 85 - HB3 ARG 109 OK 40 77 - 52 - 3.0/2606=5, 3.0/2617=5...(29) HG3 LYS 36 - HB3 ARG 109 OK 29 62 - 47 - 1.8/3542=4, ~688=3...(28) HD3 LYS 61 - HB3 ARG 109 OK 20 62 - 32 - 3.0/11117=7, 5.2/3541=4...(14) HD2 LYS 61 - HB3 ARG 109 OK 20 62 - 32 - 3.0/11117=7, 5.2/3541=4...(14) HB2 LEU 126 - HB3 ARG 109 OK 19 85 - 22 - ~9272=4, ~4284=2...(9) Peak 3546 from cnoeabs.peaks (3.11, 1.72, 29.64 ppm; 3.66 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 145 + HB3 ARG 109 OK 84 100 - 84 - 3564/2.8=9, 3536/1.8=7...(74) HD3 ARG 145 + HB3 ARG 109 OK 83 99 - 84 - 3564/2.8=9, 3536/1.8=7...(74) HB3 PHE 106 - HB3 ARG 109 OK 40 85 - 47 - 3.0/3539=10, ~10732=7...(16) HA LEU 79 - HB3 ARG 109 OK 21 81 - 26 - 2364/1.8=4, 2358/2.8=3...(13) HA ALA 105 - HB3 ARG 109 OK 21 99 - 21 - 10202/3.6=6, 10205/4.0=6...(5) HB3 ASN 96 - HB3 ARG 109 lone 4 100 - 4 - HB3 HIS 10 - HB3 ARG 109 lone 1 72 - 1 - Peak 3547 from cnoeabs.peaks (3.30, 1.72, 29.64 ppm; 6.53 A): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 124 + HB3 ARG 109 OK 77 100 - 78 - 3565/2.8=15, 3537/1.8=12...(25) HB2 TRP 88 + HB3 ARG 109 OK 67 100 - 67 - 5.3/10556=27...(8) HB3 TRP 17 - HB3 ARG 109 lone 8 77 - 10 - 9032/10096=2, 3537/1.8=1 Peak 3548 from cnoeabs.peaks (7.82, 1.72, 29.64 ppm; 5.13 A): 1 out of 6 assignments used, quality = 1.00: * H THR 110 + HB3 ARG 109 OK 100 100 - 100 - 4.6=100 H GLY 94 - HB3 ARG 109 OK 28 81 - 34 - 3.0/3539=7, 3538/1.8=6...(10) H SER 44 - HB3 ARG 109 OK 16 94 - 17 - 5.0/3540=5, 6348/4.0=4...(4) H LEU 26 - HB3 ARG 109 OK 10 99 - 10 - 7298/4.0=4, 3538/1.8=3 H TYR 27 - HB3 ARG 109 lone 10 100 - 10 - 3538/1.8=3, 7298/4.0=3...(4) H TRP 17 - HB3 ARG 109 lone 2 62 - 3 - Peak 3549 from cnoeabs.peaks (7.34, 1.56, 26.88 ppm; 5.34 A): 3 out of 9 assignments used, quality = 1.00: * H ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 4.3=100 H ARG 109 + HG3 ARG 145 OK 64 86 - 75 - 4.3/3562=9, 2.9/3550=9...(23) H ARG 109 + HG2 ARG 145 OK 57 76 - 75 - 4.3/3562=9, 2.9/3550=9...(22) QD PHE 43 - HG2 ARG 109 OK 33 96 - 34 - 3517/3.9=8, 3540/2.8=8...(7) H GLU 81 - HG2 ARG 109 OK 32 68 - 48 - 3530/2.8=7, 3540/2.8=7...(17) H GLU 81 - HG3 ARG 145 poor 8 51 - 15 - 8778/1.8=2, 8778=2...(5) H GLU 81 - HG2 ARG 145 poor 6 44 - 14 - 8778/1.8=2, 8778=2...(5) QD PHE 43 - HG3 ARG 145 lone 5 79 - 6 - QD PHE 43 - HG2 ARG 145 lone 4 70 - 6 - Peak 3550 from cnoeabs.peaks (3.61, 1.56, 26.88 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * HA ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 3.9=100 HA ARG 109 + HG3 ARG 145 OK 82 86 - 95 - 3568/3.0=12, 3568/3.0=12...(38) HA ARG 109 + HG2 ARG 145 OK 72 76 - 95 - 3568/3.0=12, 3568/3.0=12...(38) HA LYS 61 + HG2 ARG 109 OK 65 96 - 67 - 3541/2.8=17, 3531/2.8=16...(13) HA2 GLY 31 - HG2 ARG 109 OK 27 72 - 37 - 3577/3.0=9, 3531/2.8=9...(8) HA LYS 61 - HG3 ARG 145 poor 9 79 - 11 - 3541/3544=2, 3531/3534=1...(4) HA LYS 61 - HG2 ARG 145 poor 8 70 - 11 - 3541/3544=2, 3531/3534=1...(4) HA2 GLY 31 - HG3 ARG 145 lone 4 56 - 7 - HA2 GLY 31 - HG2 ARG 145 lone 3 48 - 7 - Peak 3551 from cnoeabs.peaks (1.38, 1.56, 26.88 ppm; 4.13 A): 4 out of 21 assignments used, quality = 1.00: * HB2 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 2.8=100 HB2 ARG 109 + HG3 ARG 145 OK 79 86 - 92 - 3534=10, 2.8/3562=9...(76) HB2 ARG 109 + HG2 ARG 145 OK 70 76 - 92 - 3534=10, 2.8/3562=9...(76) HB VAL 82 + HG2 ARG 109 OK 49 89 - 55 - ~8807=6, 3560/1.8=5...(20) HB2 LEU 69 - HG2 ARG 109 OK 44 100 - 45 - ~11115=6, 3542/2.8=6...(19) HB3 LEU 39 - HG2 ARG 109 OK 39 99 - 40 - ~11496=5, 3560/1.8=5...(21) HG LEU 132 - HG2 ARG 109 OK 27 100 - 27 - ~9581=3, 3560/1.8=3...(12) HG2 LYS 86 - HG2 ARG 109 OK 26 85 - 30 - 3560/1.8=4, 3542/2.8=3...(16) HG2 ARG 49 - HG2 ARG 109 OK 24 96 - 25 - 3542/2.8=3, 3560/1.8=3...(15) HB VAL 82 - HG3 ARG 145 poor 10 71 - 14 - 2478/3.0=2, 2478/3.0=2...(6) HB VAL 82 - HG2 ARG 145 poor 8 62 - 14 - 2478/3.0=2, 2478/3.0=2...(7) HG2 LYS 86 - HG3 ARG 145 lone 6 67 - 8 - HG LEU 132 - HG3 ARG 145 lone 5 84 - 6 - ~9581=1 HG2 LYS 86 - HG2 ARG 145 lone 5 58 - 8 - HG LEU 132 - HG2 ARG 145 lone 5 75 - 6 - ~9581=1 HB2 LEU 69 - HG3 ARG 145 lone 4 84 - 5 - HB2 LEU 69 - HG2 ARG 145 lone 3 75 - 5 - HB3 LEU 39 - HG3 ARG 145 lone 3 83 - 4 - HB3 LEU 39 - HG2 ARG 145 lone 3 73 - 4 - HG2 ARG 49 - HG3 ARG 145 lone 2 79 - 2 - HG2 ARG 49 - HG2 ARG 145 lone 2 70 - 2 - Peak 3552 from cnoeabs.peaks (1.72, 1.56, 26.88 ppm; 2.76 A): 4 out of 18 assignments used, quality = 0.99: * HB3 ARG 109 + HG2 ARG 109 OK 95 100 - 95 - 2.8=91, 3561/1.8=17...(13) HB3 ARG 109 + HG3 ARG 145 OK 52 86 - 61 - 2.8/3562=5, 3546/3.0=4...(36) HG LEU 66 + HG2 ARG 109 OK 49 100 - 49 - 3561/1.8=8, 3533/2.8=4...(23) HB3 ARG 109 + HG2 ARG 145 OK 46 76 - 61 - 2.8/3562=5, 3546/3.0=4...(35) HD2 LYS 36 - HG2 ARG 109 OK 25 85 - 30 - 3561/1.8=5, ~721=3...(10) HG3 ARG 89 - HG2 ARG 109 OK 20 100 - 20 - 3561/1.8=3, 3533/2.8=2...(6) HB3 GLU 81 - HG2 ARG 109 OK 15 98 - 15 - 3561/1.8=3, 3.0/8786=2...(6) HG LEU 66 - HG3 ARG 145 lone 8 85 - 10 - HG LEU 66 - HG2 ARG 145 lone 7 75 - 10 - HB3 ARG 144 - HG2 ARG 109 lone 6 92 - 6 - 4.3/7898=2 HG3 ARG 89 - HG3 ARG 145 lone 4 84 - 5 - HG3 ARG 89 - HG2 ARG 145 lone 4 75 - 5 - HB3 ARG 144 - HG3 ARG 145 lone 4 74 - 5 - 7889/4.9=4 HB3 ARG 144 - HG2 ARG 145 lone 3 65 - 5 - 7889/4.9=4 HB3 GLU 81 - HG3 ARG 145 lone 2 81 - 3 - HB3 GLU 81 - HG2 ARG 145 lone 2 72 - 3 - HD2 LYS 36 - HG3 ARG 145 lone 2 67 - 2 - HD2 LYS 36 - HG2 ARG 145 lone 1 58 - 2 - Peak 3553 from cnoeabs.peaks (1.56, 1.56, 26.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 109 + HG2 ARG 109 OK 100 100 - 100 HG3 ARG 145 + HG3 ARG 145 OK 83 83 - 100 HG2 ARG 145 + HG2 ARG 145 OK 70 70 - 100 Peak 3554 from cnoeabs.peaks (1.58, 1.56, 26.88 ppm; 2.50 A): 6 out of 31 assignments used, quality = 1.00: * HG3 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 1.8=100 HG2 ARG 145 + HG3 ARG 145 OK 67 67 - 100 - 1.8=100 HG3 ARG 109 + HG3 ARG 145 OK 53 86 - 61 - 3564/3.0=4, 3564/3.0=4...(31) HG3 ARG 145 + HG2 ARG 145 OK 52 52 - 100 - 1.8=100 HG2 ARG 145 + HG2 ARG 109 OK 48 85 - 56 - 2.9/4950=3, 2.9/4958=3...(29) HG3 ARG 109 + HG2 ARG 145 OK 47 76 - 61 - 3564/3.0=4, 3564/3.0=4...(31) HG3 ARG 145 - HG2 ARG 109 OK 43 77 - 56 - 2.9/4949=3, 2.9/4957=3...(28) HG3 ARG 124 - HG2 ARG 109 OK 35 100 - 35 - 4237/3.0=4, ~4227=2...(18) HB2 LEU 66 - HG2 ARG 109 OK 30 92 - 32 - 2.9/3552=3, 3.1/1916=2...(16) HG3 ARG 124 - HG3 ARG 145 OK 28 85 - 34 - 4235/2.9=3, 4233/2.9=3...(10) HD3 LYS 85 - HG2 ARG 109 OK 27 99 - 28 - 3.0/2610=2, 3.6/2587=2...(7) HG3 ARG 124 - HG2 ARG 145 OK 25 75 - 34 - 4235/2.9=3, 4233/2.9=3...(11) HD2 LYS 85 - HG2 ARG 109 OK 20 77 - 26 - 3.0/2610=2, 3.6/2587=2...(4) HG3 LYS 36 - HG2 ARG 109 OK 15 62 - 23 - ~688=2, ~721=1...(6) HB2 LEU 126 - HG2 ARG 109 OK 13 85 - 15 - 3.1/4300=1, 1.8/4284=1 HD3 LYS 85 - HG3 ARG 145 lone 8 83 - 9 - HD3 LYS 85 - HG2 ARG 145 lone 7 73 - 9 - HD2 LYS 85 - HG3 ARG 145 lone 6 60 - 9 - HB2 LEU 126 - HG3 ARG 145 lone 5 67 - 8 - HD2 LYS 85 - HG2 ARG 145 lone 5 52 - 9 - HB2 LEU 126 - HG2 ARG 145 lone 5 58 - 8 - HB2 LEU 66 - HG3 ARG 145 lone 5 74 - 6 - HB2 LEU 66 - HG2 ARG 145 lone 4 65 - 6 - HD2 LYS 61 - HG2 ARG 109 lone 3 62 - 5 - ~11117=1 HD3 LYS 61 - HG2 ARG 109 lone 3 62 - 5 - ~11117=1 HG3 LYS 36 - HG3 ARG 145 lone 0 47 - 1 - HG3 LYS 36 - HG2 ARG 145 lone 0 40 - 1 - HD3 LYS 61 - HG3 ARG 145 lone 0 47 - 0 - HD2 LYS 61 - HG3 ARG 145 lone 0 47 - 0 - HD3 LYS 61 - HG2 ARG 145 lone 0 40 - 0 - HD2 LYS 61 - HG2 ARG 145 lone 0 40 - 0 - Peak 3555 from cnoeabs.peaks (3.11, 1.56, 26.88 ppm; 3.14 A): 9 out of 24 assignments used, quality = 1.00: * HD2 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 145 OK 84 84 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 83 83 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 109 OK 76 100 - 76 - 3582/3.0=5, 3546/2.8=5...(70) HD3 ARG 145 + HG2 ARG 109 OK 76 99 - 77 - 3582/3.0=5, 3546/2.8=5...(70) HD2 ARG 145 + HG2 ARG 145 OK 75 75 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 145 OK 73 73 - 100 - 3.0=100 HD2 ARG 109 + HG3 ARG 145 OK 55 86 - 64 - 3.0/3562=6, 4959/2.9=5...(36) HD2 ARG 109 + HG2 ARG 145 OK 48 76 - 64 - 3.0/3562=6, 4959/2.9=5...(36) HB3 PHE 106 - HG2 ARG 109 OK 36 85 - 42 - ~10732=5, ~11591=4...(23) HA LEU 79 - HG2 ARG 109 OK 20 81 - 24 - 2364/2.8=2, 3.0/2368=2...(13) HA ALA 105 - HG2 ARG 109 OK 19 99 - 19 - 10202/3.0=5, 10205/4.3=4...(8) HB3 PHE 106 - HG3 ARG 145 OK 18 67 - 26 - ~10385=6, ~10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 15 58 - 26 - ~10385=6, ~10520=3...(11) HB3 ASN 96 - HG3 ARG 145 lone 5 85 - 6 - HB3 ASN 96 - HG2 ARG 145 lone 4 75 - 6 - HB3 ASN 96 - HG2 ARG 109 lone 4 100 - 4 - HA ALA 105 - HG3 ARG 145 lone 3 83 - 4 - HA ALA 105 - HG2 ARG 145 lone 3 73 - 4 - HA LEU 79 - HG3 ARG 145 lone 2 64 - 3 - HA LEU 79 - HG2 ARG 145 lone 2 55 - 3 - HB3 HIS 10 - HG2 ARG 109 lone 1 72 - 1 - HB3 HIS 10 - HG3 ARG 145 lone 0 56 - 0 - HB3 HIS 10 - HG2 ARG 145 lone 0 48 - 0 - Peak 3556 from cnoeabs.peaks (3.30, 1.56, 26.88 ppm; 6.80 A): 7 out of 12 assignments used, quality = 1.00: * HD3 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 3.0=100 HD2 ARG 124 + HG2 ARG 109 OK 91 100 - 91 - ~4228=13, 3547/2.8=13...(45) HD3 ARG 109 + HG3 ARG 145 OK 85 86 - 99 - 3582/3.0=12, 3582/3.0=12...(71) HD3 ARG 109 + HG2 ARG 145 OK 76 76 - 99 - 3582/3.0=12, 3582/3.0=12...(71) HD2 ARG 124 + HG3 ARG 145 OK 72 84 - 86 - ~4955=9, 4242/2.9=9...(47) HB2 TRP 88 + HG2 ARG 109 OK 67 100 - 67 - 7297/4.3=13, 3524/3.9=12...(11) HD2 ARG 124 + HG2 ARG 145 OK 64 75 - 86 - ~4955=9, 4242/2.9=9...(47) HB2 TRP 88 - HG3 ARG 145 poor 9 85 - 10 - 6.5/8941=1, 7297/3549=1 HB2 TRP 88 - HG2 ARG 145 lone 7 75 - 10 - 6.5/8941=1, 3524/3550=1 HB3 TRP 17 - HG2 ARG 109 lone 6 77 - 7 - 3547/2.8=1, 3537/2.8=1 HB3 TRP 17 - HG3 ARG 145 lone 2 60 - 3 - HB3 TRP 17 - HG2 ARG 145 lone 2 52 - 3 - Peak 3558 from cnoeabs.peaks (7.34, 1.58, 26.88 ppm; 6.47 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 4.3=100 QD PHE 43 - HG3 ARG 109 OK 38 96 - 39 - 3517/3.9=10, 11126/3.0=9...(8) H GLU 81 - HG3 ARG 109 OK 37 68 - 55 - 3530/2.8=7, 3540/2.8=7...(18) Peak 3559 from cnoeabs.peaks (3.61, 1.58, 26.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 3.9=100 HA LYS 61 + HG3 ARG 109 OK 61 96 - 63 - 3541/2.8=17, 3531/2.8=16...(15) HA2 GLY 31 - HG3 ARG 109 OK 26 72 - 35 - 3577/3.0=9, 3531/2.8=9...(7) Peak 3560 from cnoeabs.peaks (1.38, 1.58, 26.88 ppm; 4.38 A): 3 out of 7 assignments used, quality = 1.00: * HB2 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 2.8=100 HB VAL 82 + HG3 ARG 109 OK 53 89 - 59 - 2.1/8807=10, 3542/2.8=5...(20) HB2 LEU 69 + HG3 ARG 109 OK 47 100 - 48 - ~11115=6, ~11118=6...(19) HB3 LEU 39 - HG3 ARG 109 OK 45 99 - 45 - 3.2/11496=8, 3542/2.8=4...(22) HG2 LYS 86 - HG3 ARG 109 OK 35 85 - 41 - 3.9/10745=11, 3542/2.8=3...(17) HG LEU 132 - HG3 ARG 109 OK 28 100 - 28 - ~9581=3, 3578/3.0=3...(13) HG2 ARG 49 - HG3 ARG 109 OK 28 96 - 29 - 3542/2.8=3, 3519/3.9=3...(16) Peak 3561 from cnoeabs.peaks (1.72, 1.58, 26.88 ppm; 2.50 A): 5 out of 6 assignments used, quality = 0.92: * HB3 ARG 109 + HG3 ARG 109 OK 78 100 - 78 - 2.8=67, 3552/1.8=7...(10) HG LEU 66 + HG3 ARG 109 OK 38 100 - 38 - 3552/1.8=4, 2.1/1908=3...(18) HD2 LYS 36 + HG3 ARG 109 OK 22 85 - 26 - 1.8/721=3, 2.9/688=3...(9) HG3 ARG 89 + HG3 ARG 109 OK 15 100 - 15 - 3533/2.8=2, 3552/1.8=2 HB3 GLU 81 + HG3 ARG 109 OK 12 98 - 12 - 3533/2.8=1, ~8786=1, 3552/1.8=1 HB3 ARG 144 - HG3 ARG 109 lone 5 92 - 5 - Peak 3562 from cnoeabs.peaks (1.56, 1.58, 26.88 ppm; 2.50 A): 3 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 1.8=100 HG3 ARG 145 + HG3 ARG 109 OK 61 99 - 62 - 3.0/3564=4, 3.0/3564=4...(31) HG2 ARG 145 + HG3 ARG 109 OK 59 96 - 61 - 3.0/3564=4, 3.0/3564=4...(31) HB2 LEU 66 - HG3 ARG 109 OK 30 92 - 33 - 2.9/3561=4, 1.8/1892=3...(15) HD2 LYS 85 - HG3 ARG 109 OK 28 99 - 29 - 3.6/3561=3, 3.0/2611=2...(7) HG3 ARG 124 - HG3 ARG 109 OK 24 68 - 36 - 1.8/4227=5, 3.0/4209=3...(16) HD3 LYS 85 - HG3 ARG 109 OK 21 77 - 28 - 3.6/3561=3, 3.0/2611=2...(6) HB3 LEU 79 - HG3 ARG 109 OK 16 72 - 22 - ~2368=2, ~11019=1...(6) HB2 LEU 126 - HG3 ARG 109 OK 15 96 - 15 - Peak 3563 from cnoeabs.peaks (1.58, 1.58, 26.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 109 + HG3 ARG 109 OK 100 100 - 100 Peak 3564 from cnoeabs.peaks (3.11, 1.58, 26.88 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 109 OK 85 100 - 86 - 3.0/3562=7, 3.0/3562=7...(80) HD3 ARG 145 + HG3 ARG 109 OK 85 99 - 86 - 3.0/3562=7, 3.0/3562=7...(80) HB3 PHE 106 - HG3 ARG 109 OK 43 85 - 50 - 3.0/11591=7, 2.5/10732=7...(24) HA ALA 105 - HG3 ARG 109 OK 23 99 - 23 - 10202/3.0=6, 10205/4.3=5...(9) HA LEU 79 - HG3 ARG 109 OK 22 81 - 27 - 2364/2.8=3, 2358/1.8=3...(13) HB3 ASN 96 - HG3 ARG 109 lone 5 100 - 5 - HB3 HIS 10 - HG3 ARG 109 lone 1 72 - 1 - Peak 3565 from cnoeabs.peaks (3.30, 1.58, 26.88 ppm; 6.63 A): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 3.0=100 HD2 ARG 124 + HG3 ARG 109 OK 92 100 - 93 - ~4228=13, 3547/2.8=13...(46) HB2 TRP 88 + HG3 ARG 109 OK 68 100 - 68 - 6.5/10235=17...(10) HB3 TRP 17 - HG3 ARG 109 lone 6 77 - 8 - 3547/2.8=1, 3537/2.8=1 Peak 3568 from cnoeabs.peaks (3.61, 3.11, 43.65 ppm; 5.50 A): 4 out of 9 assignments used, quality = 1.00: * HA ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 5.2=100 HA ARG 109 + HD2 ARG 145 OK 74 81 - 91 - 3.9/3564=12, 3523=11...(37) HA ARG 109 + HD3 ARG 145 OK 71 78 - 91 - 3.9/3564=12, 3523=11...(37) HA LYS 61 + HD2 ARG 109 OK 51 96 - 53 - 3541/3.6=13, 3531/3.6=12...(12) HA2 GLY 31 - HD2 ARG 109 OK 22 72 - 30 - 3577/1.8=8, 3559/3.0=6...(7) HA LYS 61 - HD2 ARG 145 lone 7 74 - 9 - 3541/3546=2, 3531/3536=1...(4) HA LYS 61 - HD3 ARG 145 lone 6 71 - 9 - 3541/3546=1, 3531/3536=1...(4) HA2 GLY 31 - HD2 ARG 145 lone 3 52 - 6 - HA2 GLY 31 - HD3 ARG 145 lone 3 49 - 6 - Peak 3569 from cnoeabs.peaks (1.38, 3.11, 43.65 ppm; 5.72 A): 4 out of 21 assignments used, quality = 1.00: * HB2 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.6=100 HB2 ARG 109 + HD2 ARG 145 OK 80 81 - 99 - 2.8/3564=13, 3536=12...(74) HB2 ARG 109 + HD3 ARG 145 OK 77 78 - 99 - 2.8/3564=12, 3536=12...(74) HB VAL 82 + HD2 ARG 109 OK 55 89 - 62 - 2.1/9986=12, ~8807=8...(16) HB3 LEU 39 - HD2 ARG 109 OK 43 99 - 44 - ~11496=7, 3578/1.8=6...(13) HG LEU 132 - HD2 ARG 109 OK 38 100 - 38 - 2.1/9581=8, 3578/1.8=5...(13) HB2 LEU 69 - HD2 ARG 109 OK 35 100 - 35 - 3542/3.6=7, 3560/3.0=6...(7) HG2 ARG 49 - HD2 ARG 109 OK 24 96 - 24 - 3560/3.0=4, 3542/3.6=4...(7) HG2 LYS 86 - HD2 ARG 109 OK 22 85 - 25 - 3560/3.0=5, 3542/3.6=4...(6) HB VAL 82 - HD2 ARG 145 OK 19 66 - 29 - 2.1/9986=5, ~9986=4...(11) HB VAL 82 - HD3 ARG 145 OK 19 63 - 29 - 2.1/9986=5, ~9986=4...(11) HG LEU 132 - HD2 ARG 145 OK 15 79 - 19 - 2.1/9581=4, ~9581=3...(5) HG LEU 132 - HD3 ARG 145 OK 14 76 - 18 - 2.1/9581=4, ~9581=3...(4) HG2 LYS 86 - HD2 ARG 145 poor 10 63 - 15 - HG2 LYS 86 - HD3 ARG 145 poor 9 60 - 15 - HB2 LEU 69 - HD2 ARG 145 poor 8 79 - 10 - HB2 LEU 69 - HD3 ARG 145 poor 8 76 - 10 - HB3 LEU 39 - HD2 ARG 145 lone 7 78 - 9 - HB3 LEU 39 - HD3 ARG 145 lone 7 75 - 9 - HG2 ARG 49 - HD2 ARG 145 lone 6 74 - 7 - HG2 ARG 49 - HD3 ARG 145 lone 5 71 - 7 - Peak 3570 from cnoeabs.peaks (1.72, 3.11, 43.65 ppm; 4.46 A): 4 out of 18 assignments used, quality = 1.00: * HB3 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.6=100 HB3 ARG 109 + HD2 ARG 145 OK 77 81 - 94 - 3546=12, 2.8/3564=11...(75) HB3 ARG 109 + HD3 ARG 145 OK 73 78 - 95 - 3546=12, 2.8/3564=11...(75) HG LEU 66 + HD2 ARG 109 OK 71 100 - 71 - ~9274=11, 3561/3.0=10...(22) HD2 LYS 36 - HD2 ARG 109 OK 37 85 - 44 - 3561/3.0=6, 3579/1.8=6...(19) HB3 GLU 81 - HD2 ARG 109 OK 26 98 - 27 - 3579/1.8=4, 3533/3.6=3...(10) HG3 ARG 89 - HD2 ARG 109 OK 24 100 - 24 - 3533/3.6=5, 3561/3.0=4...(7) HG LEU 66 - HD2 ARG 145 OK 16 80 - 19 - 3.7/11127=2, 3561/3564=1...(5) HG LEU 66 - HD3 ARG 145 OK 15 77 - 19 - 3.7/11127=2, 3561/3564=1...(5) HB3 ARG 144 - HD2 ARG 109 OK 11 92 - 12 - 4.3/7899=5, 3561/3.0=1...(4) HG3 ARG 89 - HD2 ARG 145 OK 10 79 - 12 - HG3 ARG 89 - HD3 ARG 145 poor 10 76 - 12 - HB3 ARG 144 - HD2 ARG 145 poor 8 69 - 11 - 7889/6.0=8 HB3 ARG 144 - HD3 ARG 145 poor 7 66 - 11 - 7889/6.0=8 HB3 GLU 81 - HD2 ARG 145 lone 6 76 - 7 - 4.0/6870=1, 4.6/6884=1 HB3 GLU 81 - HD3 ARG 145 lone 5 73 - 7 - 4.0/6870=1, 4.6/6884=1 HD2 LYS 36 - HD2 ARG 145 lone 4 63 - 6 - 7889/6.0=2 HD2 LYS 36 - HD3 ARG 145 lone 4 60 - 6 - 7889/6.0=2 Peak 3571 from cnoeabs.peaks (1.56, 3.11, 43.65 ppm; 2.99 A): 9 out of 27 assignments used, quality = 1.00: * HG2 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 78 78 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 145 OK 75 75 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 145 OK 74 74 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 145 OK 71 71 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 145 OK 61 81 - 75 - 1.8/3564=9, ~3564=5...(52) HG3 ARG 145 + HD2 ARG 109 OK 60 99 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG2 ARG 109 + HD3 ARG 145 OK 58 78 - 75 - 1.8/3564=9, ~3564=5...(52) HG2 ARG 145 + HD2 ARG 109 OK 58 96 - 60 - 3562/3.0=5, 2.9/4959=5...(35) HB2 LEU 66 - HD2 ARG 109 OK 31 92 - 34 - ~9274=3, ~9274=3...(16) HG3 ARG 124 - HD2 ARG 109 OK 29 68 - 43 - ~4228=5, ~4228=4...(21) HD2 LYS 85 - HD2 ARG 109 OK 26 99 - 27 - ~10238=3, 3562/3.0=3...(10) HB3 LEU 79 - HD2 ARG 109 OK 22 72 - 30 - ~9275=3, ~11019=3...(14) HD3 LYS 85 - HD2 ARG 109 OK 19 77 - 25 - ~10238=3, 3562/3.0=2...(11) HG3 ARG 124 - HD2 ARG 145 OK 17 48 - 36 - 4949/3.4=2, 4957/3.4=2...(14) HG3 ARG 124 - HD3 ARG 145 OK 16 45 - 36 - 4949/3.4=2, 4957/3.4=2...(14) HB2 LEU 126 - HD2 ARG 109 OK 16 96 - 17 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 7 78 - 9 - HD2 LYS 85 - HD3 ARG 145 lone 7 75 - 9 - HB2 LEU 66 - HD2 ARG 145 lone 5 69 - 7 - HB2 LEU 66 - HD3 ARG 145 lone 5 66 - 7 - HD3 LYS 85 - HD2 ARG 145 lone 5 55 - 8 - HB2 LEU 126 - HD2 ARG 145 lone 5 74 - 6 - HD3 LYS 85 - HD3 ARG 145 lone 5 53 - 8 - HB2 LEU 126 - HD3 ARG 145 lone 4 71 - 6 - HB3 LEU 79 - HD2 ARG 145 lone 3 52 - 6 - HB3 LEU 79 - HD3 ARG 145 lone 3 49 - 6 - Peak 3572 from cnoeabs.peaks (1.58, 3.11, 43.65 ppm; 2.99 A): 8 out of 33 assignments used, quality = 1.00: * HG3 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HD2 ARG 145 OK 65 81 - 80 - 3564=13, 3564/1.8=9...(65) HG2 ARG 145 + HD2 ARG 145 OK 63 63 - 100 - 3.0=100 HG3 ARG 109 + HD3 ARG 145 OK 62 78 - 80 - 3564=12, 3564/1.8=9...(65) HG2 ARG 145 + HD3 ARG 145 OK 60 60 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 55 55 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 145 OK 53 53 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 109 OK 50 85 - 58 - 2.9/4959=5, 2.9/4951=4...(35) HG3 ARG 124 - HD2 ARG 109 OK 45 100 - 45 - 4237/1.8=7, ~4228=5...(20) HG3 ARG 145 - HD2 ARG 109 OK 44 77 - 57 - 2.9/4959=5, 2.9/4951=4...(35) HG3 ARG 124 - HD2 ARG 145 OK 31 80 - 39 - 4235/3.4=3, 4233/3.4=3...(15) HB2 LEU 66 - HD2 ARG 109 OK 30 92 - 33 - ~9274=3, ~9274=3...(14) HG3 ARG 124 - HD3 ARG 145 OK 30 77 - 39 - 4235/3.4=3, 4233/3.4=3...(15) HD3 LYS 85 - HD2 ARG 109 OK 25 99 - 26 - ~10238=3, 3581/1.8=2...(12) HD2 LYS 85 - HD2 ARG 109 OK 18 77 - 24 - ~10238=3, 3581/1.8=2...(10) HB2 LEU 126 - HD2 ARG 109 OK 13 85 - 16 - ~10254=3, ~11078=2...(4) HG3 LYS 36 - HD2 ARG 109 OK 13 62 - 22 - ~688=2, 3581/1.8=1...(10) HD3 LYS 85 - HD2 ARG 145 lone 7 78 - 8 - HD3 LYS 85 - HD3 ARG 145 lone 6 75 - 8 - HB2 LEU 66 - HD2 ARG 145 lone 5 69 - 7 - HD2 LYS 85 - HD2 ARG 145 lone 5 55 - 8 - HB2 LEU 66 - HD3 ARG 145 lone 5 66 - 7 - HD2 LYS 85 - HD3 ARG 145 lone 4 53 - 8 - HB2 LEU 126 - HD2 ARG 145 lone 4 63 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 4 60 - 6 - HD2 LYS 61 - HD2 ARG 109 lone 3 62 - 4 - HD3 LYS 61 - HD2 ARG 109 lone 3 62 - 4 - HG3 LYS 36 - HD2 ARG 145 lone 1 44 - 2 - HG3 LYS 36 - HD3 ARG 145 lone 1 41 - 2 - HD2 LYS 61 - HD2 ARG 145 lone 0 44 - 1 - HD3 LYS 61 - HD2 ARG 145 lone 0 44 - 1 - HD2 LYS 61 - HD3 ARG 145 lone 0 41 - 1 - HD3 LYS 61 - HD3 ARG 145 lone 0 41 - 1 - Peak 3573 from cnoeabs.peaks (3.11, 3.11, 43.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 109 + HD2 ARG 109 OK 100 100 - 100 HD2 ARG 145 + HD2 ARG 145 OK 79 79 - 100 HD3 ARG 145 + HD3 ARG 145 OK 75 75 - 100 Peak 3574 from cnoeabs.peaks (3.30, 3.11, 43.65 ppm; 4.02 A): 4 out of 12 assignments used, quality = 1.00: * HD3 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 1.8=100 HD3 ARG 109 + HD2 ARG 145 OK 72 81 - 89 - 3582=12, 3582/1.8=10...(71) HD3 ARG 109 + HD3 ARG 145 OK 69 78 - 89 - 3582=12, 3582/1.8=10...(70) HD2 ARG 124 + HD2 ARG 109 OK 64 100 - 65 - ~4255=8, 3565/3.0=8...(25) HD2 ARG 124 - HD2 ARG 145 OK 40 79 - 50 - 4244/3.4=4, 4242/3.4=4...(29) HB2 TRP 88 - HD2 ARG 109 OK 39 100 - 39 - ~2841=6, ~2841=5...(13) HD2 ARG 124 - HD3 ARG 145 OK 38 76 - 50 - 4244/3.4=4, 4242/3.4=4...(29) HB2 TRP 88 - HD2 ARG 145 lone 4 80 - 5 - 6.5/10737=1 HB2 TRP 88 - HD3 ARG 145 lone 4 77 - 5 - 6.5/10737=1 HB3 TRP 17 - HD2 ARG 109 lone 3 77 - 4 - HB3 TRP 17 - HD2 ARG 145 lone 1 55 - 1 - HB3 TRP 17 - HD3 ARG 145 lone 1 53 - 1 - Peak 3577 from cnoeabs.peaks (3.61, 3.30, 43.65 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 5.2=100 HA LYS 61 + HD3 ARG 109 OK 54 96 - 56 - 3541/3.6=13, 3531/3.6=12...(14) HA2 GLY 31 - HD3 ARG 109 OK 26 72 - 36 - 3577=9, 3531/3.6=6...(10) Peak 3578 from cnoeabs.peaks (1.38, 3.30, 43.65 ppm; 4.73 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.6=100 HB VAL 82 - HD3 ARG 109 OK 43 89 - 49 - ~9986=8, 3578=6, ~8807=6...(13) HB3 LEU 39 - HD3 ARG 109 OK 36 99 - 36 - 3560/3.0=5, 3.2/9274=5...(15) HG LEU 132 - HD3 ARG 109 OK 30 100 - 31 - ~9581=5, 10660/11060=3...(12) HB2 LEU 69 - HD3 ARG 109 OK 30 100 - 30 - 3542/3.6=6, 3560/3.0=5...(9) HG2 LYS 86 - HD3 ARG 109 OK 20 85 - 23 - 3560/3.0=4, 3578=3...(7) HG2 ARG 49 - HD3 ARG 109 OK 19 96 - 20 - 3542/3.6=3, 3560/3.0=3...(9) Peak 3579 from cnoeabs.peaks (1.72, 3.30, 43.65 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.6=100 HG LEU 66 + HD3 ARG 109 OK 62 100 - 62 - 2.1/9274=14, 3561/3.0=10...(19) HD2 LYS 36 - HD3 ARG 109 OK 37 85 - 43 - 3579=6, 3561/3.0=6...(18) HG3 ARG 89 - HD3 ARG 109 OK 26 100 - 26 - 3533/3.6=5, 3579=4...(7) HB3 GLU 81 - HD3 ARG 109 OK 24 98 - 25 - 3579=4, 3561/3.0=3...(9) HB3 ARG 144 - HD3 ARG 109 lone 7 92 - 8 - 3579=1, 3561/3.0=1, 3533/3.6=1 Peak 3580 from cnoeabs.peaks (1.56, 3.30, 43.65 ppm; 3.74 A): 6 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 109 OK 86 99 - 87 - 3580=9, 3562/3.0=8...(71) HG2 ARG 145 + HD3 ARG 109 OK 84 96 - 87 - 3580=9, 3562/3.0=8...(71) HD2 LYS 85 + HD3 ARG 109 OK 47 99 - 47 - 3.0/10238=6, 3580=5...(19) HB2 LEU 66 + HD3 ARG 109 OK 46 92 - 50 - 3.1/9274=9, 2.9/3579=6...(25) HG3 ARG 124 + HD3 ARG 109 OK 46 68 - 68 - 1.8/4228=11, 3.0/4255=8...(40) HD3 LYS 85 - HD3 ARG 109 OK 35 77 - 46 - 3.0/10238=6, 3.6/3579=4...(19) HB3 LEU 79 - HD3 ARG 109 OK 34 72 - 48 - 3.1/9275=8, 3.0/11019=6...(25) HB2 LEU 126 - HD3 ARG 109 OK 28 96 - 29 - 3.1/10254=7, 3580=3...(10) Peak 3581 from cnoeabs.peaks (1.58, 3.30, 43.65 ppm; 3.74 A): 5 out of 11 assignments used, quality = 1.00: * HG3 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 109 OK 74 85 - 86 - 3.0/3582=7, 3.0/3582=7...(71) HG3 ARG 124 + HD3 ARG 109 OK 70 100 - 71 - 4237=13, 1.8/4228=11...(40) HG3 ARG 145 + HD3 ARG 109 OK 66 77 - 86 - 3.0/3582=7, 3.0/3582=7...(71) HD3 LYS 85 + HD3 ARG 109 OK 46 99 - 47 - 3.0/10238=6, 3.6/3579=4...(20) HB2 LEU 66 - HD3 ARG 109 OK 44 92 - 48 - 3.1/9274=9, 2.9/3579=6...(25) HD2 LYS 85 - HD3 ARG 109 OK 33 77 - 43 - 3.0/10238=6, 3.6/3579=4...(19) HB2 LEU 126 - HD3 ARG 109 OK 24 85 - 29 - 3.1/10254=7, 3.1/10682=3...(8) HG3 LYS 36 - HD3 ARG 109 OK 22 62 - 36 - 2.9/3579=3, ~688=3...(19) HD2 LYS 61 - HD3 ARG 109 lone 5 62 - 9 - 5.2/3577=3, 1705/5.2=1 HD3 LYS 61 - HD3 ARG 109 lone 5 62 - 9 - 5.2/3577=3, 1705/5.2=1 Peak 3582 from cnoeabs.peaks (3.11, 3.30, 43.65 ppm; 3.39 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 1.8=100 HD2 ARG 145 + HD3 ARG 109 OK 77 100 - 77 - 3582=11, 1.8/3582=8...(62) HD3 ARG 145 + HD3 ARG 109 OK 76 99 - 77 - 3582=11, 1.8/3582=8...(61) HB3 PHE 106 - HD3 ARG 109 OK 34 85 - 39 - ~10732=5, 3582=5...(20) HA ALA 105 - HD3 ARG 109 OK 31 99 - 32 - 2.1/9211=9, 10202=6...(9) HA LEU 79 - HD3 ARG 109 OK 26 81 - 32 - 4.0/9275=5, 3.7/11019=5...(15) HB3 ASN 96 - HD3 ARG 109 lone 9 100 - 9 - 3582=1 HB3 HIS 10 - HD3 ARG 109 lone 1 72 - 2 - Peak 3583 from cnoeabs.peaks (3.30, 3.30, 43.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 109 + HD3 ARG 109 OK 100 100 - 100 Peak 3585 from cnoeabs.peaks (7.82, 3.81, 66.23 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * H THR 110 + HA THR 110 OK 100 100 - 100 - 3.0=100 H SER 44 - HA THR 110 OK 21 94 - 22 - 5.0/9277=6, 3599/3.2=4...(9) H TYR 27 - HA THR 110 lone 9 100 - 8 - 3594/3.0=2, 3599/3.2=2 H LEU 26 - HA THR 110 lone 8 99 - 8 - 3599/3.2=1, 7323/3.6=1...(4) H GLY 94 - HA THR 110 lone 8 81 - 9 - 3525/4.9=2, ~7301=2...(4) H TRP 17 - HA THR 110 lone 1 62 - 1 - Peak 3586 from cnoeabs.peaks (3.81, 3.81, 66.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 110 + HA THR 110 OK 100 100 - 100 Peak 3587 from cnoeabs.peaks (4.11, 3.81, 66.23 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 110 + HA THR 110 OK 100 100 - 100 - 3.0=100 HA PRO 52 - HA THR 110 OK 40 89 - 45 - 10457=9, 2.3/10642=8...(12) HD3 PRO 33 - HA THR 110 OK 12 72 - 16 - 3601/3.2=2, 424/4.0=2...(6) HA THR 99 - HA THR 110 OK 11 99 - 11 - 3.2/10160=4, 7314/3.0=1 Peak 3588 from cnoeabs.peaks (1.03, 3.81, 66.23 ppm; 2.96 A): 2 out of 2 assignments used, quality = 0.92: * QG2 THR 110 + HA THR 110 OK 89 100 - 89 - 3.2=78, 7315/3.0=17...(10) HB2 LEU 116 + HA THR 110 OK 31 98 - 31 - 3597/3.0=6, 7315/3.0=4...(13) Peak 3589 from cnoeabs.peaks (8.53, 3.81, 66.23 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + HA THR 110 OK 100 100 - 100 - 3.6=100 H MET 46 - HA THR 110 OK 26 89 - 29 - 7316/3.0=6, 3603/3.2=6...(7) H CYS 121 - HA THR 110 lone 4 68 - 6 - 3604/5.0=1, 7316/3.0=1 Peak 3590 from cnoeabs.peaks (8.87, 3.81, 66.23 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.76: * H MET 113 + HA THR 110 OK 76 100 - 76 - 7374=31, 4.1/3592=18...(9) Peak 3591 from cnoeabs.peaks (2.19, 3.81, 66.23 ppm; 3.76 A): 4 out of 5 assignments used, quality = 0.79: * HB2 MET 113 + HA THR 110 OK 66 100 - 66 - 1.8/3592=24, 4.2/9337=19...(7) HB2 MET 46 + HA THR 110 OK 15 100 - 15 - 4.0/3589=3, 9291/3.2=3...(6) HG2 GLU 75 + HA THR 110 OK 15 100 - 15 - 9291/3.2=5, ~9284=2...(6) HB3 PRO 57 + HA THR 110 OK 12 81 - 15 - 9291/3.2=5, ~9289=3...(4) HB3 LYS 86 - HA THR 110 lone 2 68 - 3 - Peak 3592 from cnoeabs.peaks (2.27, 3.81, 66.23 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.74: * HB3 MET 113 + HA THR 110 OK 70 100 - 70 - 1.8/3591=22, 4.1/3590=19...(8) HG2 GLU 90 + HA THR 110 OK 16 100 - 16 - 3725/9337=4, 7385/3590=3...(5) HG3 GLU 90 - HA THR 110 poor 7 68 - 11 - 3725/9337=3, 3.0/9280=2...(5) HG3 GLU 142 - HA THR 110 lone 5 100 - 5 - HG3 PRO 129 - HA THR 110 lone 4 92 - 5 - 3725/9337=1, 7385/3590=1 HG2 GLU 131 - HA THR 110 lone 3 100 - 3 - Peak 3593 from cnoeabs.peaks (3.71, 4.11, 68.41 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.87: * HA THR 107 + HB THR 110 OK 78 100 - 78 - 3452=45, 9241/2.1=29...(7) HA LEU 108 + HB THR 110 OK 44 85 - 52 - 10177/2.1=35...(5) HA ILE 136 - HB THR 110 lone 10 99 - 10 - 10240/2.1=3, 3460/9286=2...(4) HB THR 74 - HB THR 110 lone 7 99 - 7 - 10240/2.1=2, 7320/4.6=2 HA ILE 91 - HB THR 110 lone 4 85 - 5 - 3460/9286=1, 7302/4.1=1 Peak 3594 from cnoeabs.peaks (7.82, 4.11, 68.41 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.93: * H THR 110 + HB THR 110 OK 92 100 - 92 - 4.1=71, 7315/2.1=30...(12) H SER 44 + HB THR 110 OK 12 94 - 12 - 3599/2.1=4, 3585/3.0=4...(4) H TYR 27 - HB THR 110 lone 7 100 - 7 - 3599/2.1=2, 3585/3.0=2, ~8044=1 H LEU 26 - HB THR 110 lone 5 99 - 5 - 3599/2.1=2, 3585/3.0=2 H GLY 94 - HB THR 110 lone 4 81 - 5 - 3599/2.1=2, 3585/3.0=1 H TRP 17 - HB THR 110 lone 1 62 - 1 - Peak 3595 from cnoeabs.peaks (3.81, 4.11, 68.41 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 110 + HB THR 110 OK 100 100 - 100 - 3.0=100 HA LEU 66 - HB THR 110 OK 15 81 - 18 - 3600/2.1=7, 7313/4.1=3...(7) HA3 GLY 50 - HB THR 110 OK 11 92 - 12 - 3600/2.1=3, ~1303=2...(5) Peak 3596 from cnoeabs.peaks (4.11, 4.11, 68.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 110 + HB THR 110 OK 100 100 - 100 Peak 3597 from cnoeabs.peaks (1.03, 4.11, 68.41 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 110 + HB THR 110 OK 100 100 - 100 - 2.1=100 HB2 LEU 116 - HB THR 110 OK 35 98 - 35 - 3588/3.0=6, 3868/2.1=3...(17) Peak 3598 from cnoeabs.peaks (8.53, 4.11, 68.41 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.97: * H GLN 111 + HB THR 110 OK 97 100 - 97 - 4.6=83, 3603/2.1=34...(16) H MET 46 - HB THR 110 OK 16 89 - 18 - 3603/2.1=6, 3589/3.0=6 H CYS 121 - HB THR 110 lone 3 68 - 4 - 3603/2.1=1 Peak 3599 from cnoeabs.peaks (7.82, 1.03, 21.21 ppm; 3.29 A): 2 out of 6 assignments used, quality = 0.86: * H THR 110 + QG2 THR 110 OK 84 100 - 84 - 4.0=57, 3.0/3600=27...(8) H SER 44 + QG2 THR 110 OK 13 94 - 14 - 3585/3.2=3, 3.6/10828=3...(5) H TYR 27 - QG2 THR 110 lone 6 100 - 6 - 3594/2.1=2, 3585/3.2=1 H GLY 94 - QG2 THR 110 lone 5 81 - 6 - 3585/3.2=1 H LEU 26 - QG2 THR 110 lone 5 99 - 5 - 3585/3.2=1, 3594/2.1=1 H TRP 17 - QG2 THR 110 lone 1 62 - 2 - Peak 3600 from cnoeabs.peaks (3.81, 1.03, 21.21 ppm; 2.76 A): 2 out of 3 assignments used, quality = 0.82: * HA THR 110 + QG2 THR 110 OK 79 100 - 79 - 3.2=64, 3.0/7315=14...(10) HA LEU 66 + QG2 THR 110 OK 16 81 - 19 - 3.6/9278=10, 3.7/10452=2...(4) HA3 GLY 50 - QG2 THR 110 lone 6 92 - 6 - 3595/2.1=2, 7313/4.0=1 Peak 3601 from cnoeabs.peaks (4.11, 1.03, 21.21 ppm; 2.67 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 110 + QG2 THR 110 OK 100 100 - 100 - 2.1=100 HA PRO 52 - QG2 THR 110 OK 16 89 - 18 - 3587/3.2=4, 3.8/9288=2...(10) HD3 PRO 33 - QG2 THR 110 poor 9 72 - 12 - 3.8/9293=2, 424/3.0=1 HA THR 99 - QG2 THR 110 lone 5 99 - 4 - Peak 3602 from cnoeabs.peaks (1.03, 1.03, 21.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 110 + QG2 THR 110 OK 100 100 - 100 Peak 3603 from cnoeabs.peaks (8.53, 1.03, 21.21 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.95: * H GLN 111 + QG2 THR 110 OK 94 100 - 94 - 4.4=64, 3.6/3600=28...(17) H MET 46 + QG2 THR 110 OK 16 89 - 18 - 3589/3.2=4, 3598/2.1=4...(5) H CYS 121 - QG2 THR 110 lone 3 68 - 4 - Peak 3604 from cnoeabs.peaks (8.53, 4.64, 57.42 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + HA GLN 111 OK 100 100 - 100 - 2.9=100 H MET 46 - HA GLN 111 OK 20 89 - 22 - 7357/3.6=4, 3589/5.0=4...(8) H CYS 121 - HA GLN 111 lone 7 68 - 10 - 9443/10179=2, 3645/3.9=2 Peak 3605 from cnoeabs.peaks (4.64, 4.64, 57.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 111 + HA GLN 111 OK 100 100 - 100 Peak 3606 from cnoeabs.peaks (2.00, 4.64, 57.42 ppm; 3.99 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HA GLN 111 OK 100 100 - 100 - 2.9=100 HG3 PRO 52 + HA GLN 111 OK 70 99 - 72 - 3618=11, 3629/2.9=10...(29) QE MET 113 - HA GLN 111 OK 38 98 - 39 - 9337/5.0=15, 7359/3.6=5...(10) QE MET 11 - HA GLN 111 OK 28 98 - 29 - 42=5, 3.3/36=3...(13) HB VAL 63 - HA GLN 111 OK 20 94 - 21 - 3629/2.9=3, 3638/3.9=2...(10) HB3 GLU 90 - HA GLN 111 OK 19 92 - 20 - 3.9/11690=5, 3606=2...(8) HB2 GLU 142 - HA GLN 111 OK 13 72 - 18 - 1.8/10507=4, 3606=2...(5) QE MET 59 - HA GLN 111 OK 13 92 - 14 - 3629/2.9=2...(6) HG3 GLU 122 - HA GLN 111 lone 6 94 - 6 - HB3 GLU 37 - HA GLN 111 lone 3 72 - 5 - 11711/10243=2 Peak 3607 from cnoeabs.peaks (1.90, 4.64, 57.42 ppm; 3.80 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + HA GLN 111 OK 100 100 - 100 - 2.9=100 HB3 ARG 140 - HA GLN 111 OK 41 96 - 42 - 1.8/10374=11...(12) HB2 LYS 24 - HA GLN 111 OK 31 100 - 31 - 11371=5, 3.0/3615=3...(13) HB3 LEU 69 - HA GLN 111 OK 26 94 - 28 - 7360/3.6=5, 3607=3...(12) HB3 ARG 89 - HA GLN 111 OK 24 100 - 24 - 4.4/11690=4, 3607=3...(8) HB ILE 136 - HA GLN 111 OK 24 68 - 36 - 2.9/3614=4, ~11044=4...(14) HB ILE 101 - HA GLN 111 OK 23 100 - 23 - 3607=3, ~11023=2...(8) HB3 LYS 93 - HA GLN 111 OK 14 94 - 15 - 3607=2, 3.4/3614=2, 3639/3.9=1 QE MET 68 - HA GLN 111 lone 6 89 - 6 - 8419/10178=2 HB3 ARG 141 - HA GLN 111 lone 6 85 - 6 - Peak 3608 from cnoeabs.peaks (2.13, 4.64, 57.42 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 111 + HA GLN 111 OK 100 100 - 100 - 3.9=100 HG2 GLU 81 - HA GLN 111 OK 45 81 - 55 - 4.9/10178=43, 7361/3.6=3...(10) HB VAL 73 - HA GLN 111 OK 38 85 - 45 - 7361/3.6=12, 3631/2.9=8...(8) HB2 GLU 75 - HA GLN 111 OK 37 92 - 40 - 3649/3.9=7, 7361/3.6=7...(9) HG3 PRO 118 - HA GLN 111 OK 31 92 - 34 - 2.3/10374=8, 7330/2.9=4...(10) HB2 GLN 133 - HA GLN 111 OK 15 68 - 21 - 3608=3, 3649/3.9=2...(10) HB3 GLN 133 - HA GLN 111 OK 14 62 - 22 - 1.8/3608=3, 6879/10178=2...(10) Peak 3609 from cnoeabs.peaks (2.78, 4.64, 57.42 ppm; 4.19 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 111 + HA GLN 111 OK 100 100 - 100 - 3.9=100 HB2 ASP 41 - HA GLN 111 OK 27 92 - 30 - 7362/3.6=5, 3609=4...(11) HB3 TYR 119 - HA GLN 111 OK 23 100 - 23 - 3609=5, 7362/3.6=5...(7) HB3 ASN 84 - HA GLN 111 OK 20 100 - 20 - 7362/3.6=4, 3609=4...(7) Peak 3613 from cnoeabs.peaks (7.38, 4.64, 57.42 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.71: * H LYS 114 + HA GLN 111 OK 57 100 - 57 - 7393=14, 3.9/3615=13...(12) H ARG 49 + HA GLN 111 OK 22 100 - 22 - 7393=6, 7371/3.6=5...(8) H ASP 41 + HA GLN 111 OK 14 96 - 15 - 3.8/3609=4, 7371/3.6=3...(5) Peak 3614 from cnoeabs.peaks (1.65, 4.64, 57.42 ppm; 4.22 A): 7 out of 12 assignments used, quality = 0.94: * HB2 LYS 114 + HA GLN 111 OK 66 100 - 66 - 1.8/3615=24, 3741=17...(12) HG2 ARG 140 + HA GLN 111 OK 46 99 - 46 - 2.9/10374=12, 3614=9...(12) HG13 ILE 136 + HA GLN 111 OK 39 100 - 39 - 11485/3.9=6, ~10341=5...(11) HD3 LYS 93 + HA GLN 111 OK 19 100 - 19 - 3756/3615=2, 11485/3.9=2...(5) HG2 ARG 124 + HA GLN 111 OK 18 77 - 23 - 3614=5, 11485/3.9=3...(9) HG2 ARG 89 + HA GLN 111 OK 14 62 - 22 - 2.8/3607=3, 3614=3...(6) HB2 PRO 57 + HA GLN 111 OK 13 100 - 13 - 10585/10179=3, 3614=2 HD2 LYS 48 - HA GLN 111 lone 6 62 - 9 - 3.0/3615=3, 3614=1 HB2 MET 68 - HA GLN 111 lone 5 81 - 6 - HB VAL 71 - HA GLN 111 lone 5 62 - 7 - 10593/10181=1, 11485/3.9=1 HB3 LEU 26 - HA GLN 111 lone 4 62 - 6 - 3614=1 HB2 LEU 95 - HA GLN 111 lone 2 62 - 3 - Peak 3615 from cnoeabs.peaks (1.44, 4.64, 57.42 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.73: * HB3 LYS 114 + HA GLN 111 OK 69 100 - 69 - 3753=27, 3.9/3613=18...(11) HG2 LYS 48 + HA GLN 111 OK 13 89 - 14 - 4.9/3613=6, 7405/3613=1 HG12 ILE 91 - HA GLN 111 poor 10 68 - 14 - 3615=3, 8953/11690=2...(4) HB3 LEU 66 - HA GLN 111 poor 8 77 - 11 - 3615=3, 1891/5.0=2, ~1881=1 HB3 LYS 123 - HA GLN 111 lone 5 77 - 6 - 3615=1 Peak 3616 from cnoeabs.peaks (3.72, 2.00, 27.32 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.95: * HA LEU 108 + HB2 GLN 111 OK 79 100 - 79 - 3472/3.9=39, 3626/1.8=36...(12) HA THR 107 + HB2 GLN 111 OK 77 85 - 91 - ~9254=22, ~9254=19...(17) HB THR 74 - HB2 GLN 111 OK 38 96 - 39 - 7353/4.6=12...(6) HA ILE 136 - HB2 GLN 111 OK 37 68 - 54 - 3.2/11044=11...(15) HA LEU 108 - HG3 PRO 52 OK 20 96 - 21 - 10177/9288=5...(5) HA ILE 136 - HG3 PRO 52 OK 17 60 - 27 - 3.2/11044=6, 4.2/10341=4...(9) HA THR 107 - HG3 PRO 52 OK 16 78 - 20 - 9241/9288=4, 3452/9285=3...(7) HB THR 74 - HG3 PRO 52 poor 9 90 - 10 - 9492/11592=2, 7353/11587=1 Peak 3618 from cnoeabs.peaks (4.64, 2.00, 27.32 ppm; 6.80 A): 5 out of 10 assignments used, quality = 1.00: * HA GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 2.9=100 HA GLN 111 + HG3 PRO 52 OK 89 96 - 94 - ~1379=17, ~1379=15...(30) HG1 THR 110 + HB2 GLN 111 OK 89 100 - 89 - ~9284=22, ~9283=19...(15) HG1 THR 110 + HG3 PRO 52 OK 64 96 - 67 - 4.0/9280=12, 3.0/9288=11...(15) HA ASN 139 + HB2 GLN 111 OK 55 94 - 58 - 10361=9, ~10494=9...(16) HA LEU 87 - HB2 GLN 111 OK 42 99 - 43 - ~2786=6, ~7000=5...(12) HA ASP 32 - HB2 GLN 111 OK 34 100 - 34 - 7327/3.9=5, 3628/1.8=4...(11) HA ASP 32 - HG3 PRO 52 OK 20 95 - 21 - 3.8/1373=7, 425/3.8=5...(5) HA LEU 87 - HG3 PRO 52 poor 10 93 - 11 - 9293/9288=1 HA ASN 139 - HG3 PRO 52 lone 8 87 - 9 - 9293/9288=1 Peak 3619 from cnoeabs.peaks (2.00, 2.00, 27.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 111 + HB2 GLN 111 OK 100 100 - 100 HG3 PRO 52 + HG3 PRO 52 OK 93 93 - 100 Peak 3620 from cnoeabs.peaks (1.90, 2.00, 27.32 ppm; 2.97 A): 2 out of 20 assignments used, quality = 1.00: * HB3 GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 1.8=100 HB3 GLN 111 + HG3 PRO 52 OK 55 96 - 58 - 3629=12, 3.0/3638=5...(26) HB3 ARG 89 - HG3 PRO 52 OK 34 95 - 36 - 2872/2.3=4, 2868/1.8=4...(22) HB3 ARG 140 - HB2 GLN 111 OK 22 96 - 23 - ~10374=4, 3607/2.9=2...(8) HB2 LYS 24 - HB2 GLN 111 OK 19 100 - 19 - 11371/2.9=3, 10881/1.8=2...(5) HB ILE 136 - HB2 GLN 111 OK 18 68 - 26 - 2.5/10341=6, 2.1/11044=5...(10) HB ILE 101 - HB2 GLN 111 OK 17 100 - 17 - 2.1/11023=2, 3.2/11023=2...(5) HB3 LEU 69 - HB2 GLN 111 OK 16 94 - 17 - 7360/4.6=2, 3607/2.9=2...(4) HB3 ARG 89 - HB2 GLN 111 OK 13 100 - 13 - 3607/2.9=1, 3639/3.0=1 HB3 LYS 93 - HB2 GLN 111 lone 7 94 - 8 - HB ILE 136 - HG3 PRO 52 poor 7 60 - 11 - 2.5/10341=3, 2.1/11044=2 HB3 ARG 140 - HG3 PRO 52 lone 6 90 - 7 - HB ILE 101 - HG3 PRO 52 lone 5 94 - 5 - QE MET 68 - HB2 GLN 111 lone 3 89 - 3 - HB3 ARG 141 - HB2 GLN 111 lone 3 85 - 3 - HB3 LEU 69 - HG3 PRO 52 lone 2 87 - 3 - HB2 LYS 24 - HG3 PRO 52 lone 2 95 - 2 - QE MET 68 - HG3 PRO 52 lone 1 81 - 2 - HB3 LYS 93 - HG3 PRO 52 lone 1 87 - 1 - HB3 ARG 141 - HG3 PRO 52 lone 1 78 - 1 - Peak 3621 from cnoeabs.peaks (2.13, 2.00, 27.32 ppm; 3.12 A): 2 out of 14 assignments used, quality = 1.00: * HG2 GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 3.0=100 HG2 GLN 111 + HG3 PRO 52 OK 46 96 - 48 - 3638=9, 3.0/3629=6...(25) HG3 PRO 118 - HG3 PRO 52 OK 19 84 - 23 - ~10640=2, ~10453=2...(10) HB VAL 73 - HB2 GLN 111 OK 14 85 - 16 - 3631/1.8=3, 3649/3.0=2...(9) HB2 GLU 75 - HB2 GLN 111 OK 14 92 - 15 - 3631/1.8=3, 3649/3.0=2...(5) HG3 PRO 118 - HB2 GLN 111 poor 10 92 - 10 - 3631/1.8=2, 3649/3.0=1, ~10374=1 HG2 GLU 81 - HB2 GLN 111 lone 5 81 - 6 - HB3 GLN 133 - HB2 GLN 111 lone 4 62 - 6 - HB2 GLN 133 - HB2 GLN 111 lone 4 68 - 6 - HB2 GLN 133 - HG3 PRO 52 lone 2 60 - 3 - HB3 GLN 133 - HG3 PRO 52 lone 2 56 - 3 - HB2 GLU 75 - HG3 PRO 52 lone 2 84 - 2 - HB VAL 73 - HG3 PRO 52 lone 1 78 - 2 - HG2 GLU 81 - HG3 PRO 52 lone 1 74 - 1 - Peak 3622 from cnoeabs.peaks (2.78, 2.00, 27.32 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * HG3 GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 3.0=100 HG3 GLN 111 + HG3 PRO 52 OK 88 96 - 92 - ~1379=17, ~1379=14...(28) HB3 TYR 119 + HB2 GLN 111 OK 58 100 - 58 - 3632/1.8=10, 3641/3.0=9...(11) HB3 ASN 84 + HB2 GLN 111 OK 46 100 - 45 - 3632/1.8=8, 7362/4.6=7...(10) HB2 ASP 41 - HB2 GLN 111 OK 44 92 - 48 - 7362/4.6=9, 3609/2.9=8...(13) HB3 TYR 119 - HG3 PRO 52 OK 14 95 - 15 - ~3989=5, ~3989=3...(4) HB3 ASN 84 - HG3 PRO 52 lone 8 95 - 8 - HB2 ASP 41 - HG3 PRO 52 lone 6 84 - 7 - 3609/3618=1 Peak 3626 from cnoeabs.peaks (3.72, 1.90, 27.32 ppm; 5.63 A): 3 out of 4 assignments used, quality = 0.94: * HA LEU 108 + HB3 GLN 111 OK 71 100 - 71 - 3616/1.8=33, 3472/3.9=32...(8) HA THR 107 + HB3 GLN 111 OK 68 85 - 79 - 3.2/11630=16, ~9254=16...(15) HA ILE 136 + HB3 GLN 111 OK 34 68 - 50 - ~11044=9, ~11023=7...(19) HB THR 74 - HB3 GLN 111 OK 24 96 - 24 - 7353/4.6=9, 7320/3.9=6...(5) Peak 3628 from cnoeabs.peaks (4.64, 1.90, 27.32 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HA GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 2.9=100 HG1 THR 110 + HB3 GLN 111 OK 91 100 - 91 - ~9284=22, ~9283=19...(18) HA ASN 139 + HB3 GLN 111 OK 55 94 - 58 - 10361/1.8=10...(16) HA LEU 87 - HB3 GLN 111 OK 39 99 - 39 - ~2786=6, ~7000=5...(11) HA ASP 32 - HB3 GLN 111 OK 30 100 - 30 - 7327/3.9=5, ~419=4...(9) Peak 3629 from cnoeabs.peaks (2.00, 1.90, 27.32 ppm; 2.88 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 1.8=100 HG3 PRO 52 + HB3 GLN 111 OK 52 99 - 53 - 3620=8, 3638/3.0=4...(26) HB VAL 63 - HB3 GLN 111 OK 14 94 - 15 - ~9867=2, 3638/3.0=2...(8) QE MET 11 - HB3 GLN 111 OK 12 98 - 12 - 42/2.9=3, 3638/3.0=1 QE MET 113 - HB3 GLN 111 OK 11 98 - 11 - 3606/2.9=2, 7359/4.6=2...(4) QE MET 59 - HB3 GLN 111 lone 8 92 - 9 - HB3 GLU 90 - HB3 GLN 111 lone 8 92 - 8 - 3.0/2916=1 HB2 GLU 142 - HB3 GLN 111 lone 7 72 - 9 - ~10380=1 HG3 GLU 122 - HB3 GLN 111 lone 3 94 - 3 - HB3 GLU 37 - HB3 GLN 111 lone 1 72 - 1 - Peak 3630 from cnoeabs.peaks (1.90, 1.90, 27.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 111 + HB3 GLN 111 OK 100 100 - 100 Peak 3631 from cnoeabs.peaks (2.13, 1.90, 27.32 ppm; 3.72 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 3.0=100 HB VAL 73 - HB3 GLN 111 OK 20 85 - 24 - 3621/1.8=4, 3649/3.0=3...(12) HB2 GLU 75 - HB3 GLN 111 OK 19 92 - 21 - 3649/3.0=3, 3621/1.8=3...(8) HG3 PRO 118 - HB3 GLN 111 OK 14 92 - 15 - 3621/1.8=2, ~10374=2...(5) HG2 GLU 81 - HB3 GLN 111 lone 6 81 - 8 - 3649/3.0=1, 3608/2.9=1 HB3 GLN 133 - HB3 GLN 111 lone 6 62 - 9 - HB2 GLN 133 - HB3 GLN 111 lone 6 68 - 8 - Peak 3632 from cnoeabs.peaks (2.78, 1.90, 27.32 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 3.0=100 HB3 TYR 119 + HB3 GLN 111 OK 56 100 - 56 - 3641/3.0=9, 7362/4.6=8...(11) HB3 ASN 84 - HB3 GLN 111 OK 44 100 - 43 - 7362/4.6=7, 3641/3.0=7...(11) HB2 ASP 41 - HB3 GLN 111 OK 43 92 - 46 - 7362/4.6=9, 3609/2.9=8...(13) Peak 3636 from cnoeabs.peaks (8.53, 2.13, 32.11 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 4.7=100 H MET 46 - HG2 GLN 111 OK 18 89 - 20 - 3604/3.9=6, 3645/1.8=6...(5) H CYS 121 - HG2 GLN 111 lone 7 68 - 10 - 3645/1.8=3, 3604/3.9=2 Peak 3637 from cnoeabs.peaks (4.64, 2.13, 32.11 ppm; 4.52 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.9=100 HG1 THR 110 + HG2 GLN 111 OK 58 100 - 58 - 2.8/9284=16, ~9283=10...(15) HA ASN 139 - HG2 GLN 111 OK 20 94 - 22 - 10361/3.0=7, ~10494=3...(7) HA LEU 87 - HG2 GLN 111 OK 17 99 - 17 - 4.0/8892=6, 7327/4.7=2...(7) HA ASP 32 - HG2 GLN 111 lone 9 100 - 9 - 7327/4.7=2, 3628/3.0=1...(4) Peak 3638 from cnoeabs.peaks (2.00, 2.13, 32.11 ppm; 3.46 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 + HG2 GLN 111 OK 56 99 - 57 - 3621=10, 3629/3.0=8...(26) HB VAL 63 - HG2 GLN 111 OK 20 94 - 21 - 2.1/9867=5, 2.1/9872=3...(9) QE MET 113 - HG2 GLN 111 OK 13 98 - 13 - 3606/3.9=2, 7328/4.7=2...(5) QE MET 11 - HG2 GLN 111 OK 12 98 - 13 - 42/3.9=3, 3629/3.0=2...(4) QE MET 59 - HG2 GLN 111 poor 10 92 - 10 - 10567/10165=2...(4) HB3 GLU 90 - HG2 GLN 111 lone 8 92 - 9 - 3629/3.0=1, 3606/3.9=1 HB2 GLU 142 - HG2 GLN 111 lone 6 72 - 8 - 3629/3.0=1 HG3 GLU 122 - HG2 GLN 111 lone 3 94 - 4 - HB3 GLU 37 - HG2 GLN 111 lone 2 72 - 2 - Peak 3639 from cnoeabs.peaks (1.90, 2.13, 32.11 ppm; 3.35 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.0=100 HB ILE 136 - HG2 GLN 111 OK 19 68 - 28 - 2.9/11485=6, ~10752=4...(13) HB2 LYS 24 - HG2 GLN 111 OK 18 100 - 18 - 3.0/11316=4, 11371/3.9=3...(6) HB3 ARG 140 - HG2 GLN 111 OK 18 96 - 18 - 2.9/11485=4, 3607/3.9=2...(5) HB ILE 101 - HG2 GLN 111 OK 14 100 - 15 - ~11023=2, 3620/3.0=2...(5) HB3 LEU 69 - HG2 GLN 111 OK 14 94 - 15 - 3.2/9931=2, 3607/3.9=2...(5) HB3 ARG 89 - HG2 GLN 111 OK 13 100 - 13 - 2.8/11485=3, 3607/3.9=1 HB3 LYS 93 - HG2 GLN 111 lone 7 94 - 8 - 3.4/11485=1 QE MET 68 - HG2 GLN 111 lone 4 89 - 4 - HB3 ARG 141 - HG2 GLN 111 lone 2 85 - 3 - Peak 3640 from cnoeabs.peaks (2.13, 2.13, 32.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 111 + HG2 GLN 111 OK 100 100 - 100 Peak 3641 from cnoeabs.peaks (2.78, 2.13, 32.11 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 1.8=100 HB3 TYR 119 - HG2 GLN 111 OK 33 100 - 33 - ~3993=5, ~3993=5...(11) HB3 ASN 84 - HG2 GLN 111 OK 24 100 - 23 - 3609/3.9=3, ~2557=3...(11) HB2 ASP 41 - HG2 GLN 111 OK 19 92 - 21 - 3609/3.9=5, 7331/4.7=3...(8) Peak 3642 from cnoeabs.peaks (6.88, 2.13, 32.11 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.5=100 HE22 GLN 47 - HG2 GLN 111 OK 21 96 - 22 - 8180/3.0=10, 3651/1.8=6...(4) HE21 GLN 25 - HG2 GLN 111 poor 10 92 - 10 - 9835/9867=2, 3651/1.8=2...(4) HZ PHE 23 - HG2 GLN 111 lone 6 98 - 6 - 3651/1.8=2 HD2 HIS 14 - HG2 GLN 111 lone 6 77 - 8 - 3651/1.8=2, 11060/4769=2 HE21 GLN 22 - HG2 GLN 111 lone 3 62 - 4 - Peak 3645 from cnoeabs.peaks (8.53, 2.78, 32.11 ppm; 5.26 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 4.7=100 H MET 46 - HG3 GLN 111 OK 16 89 - 18 - 3636/1.8=6, 3604/3.9=6 H CYS 121 - HG3 GLN 111 poor 9 68 - 13 - 4.0/7480=3, 9443/9347=2...(5) Peak 3646 from cnoeabs.peaks (4.64, 2.78, 32.11 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.9=100 HG1 THR 110 + HG3 GLN 111 OK 86 100 - 86 - 2.8/9283=27, ~9284=26...(17) HA ASN 139 - HG3 GLN 111 OK 42 94 - 45 - 10361/3.0=10...(10) HA LEU 87 - HG3 GLN 111 OK 29 99 - 30 - 7327/4.7=5, 3628/3.0=5...(9) HA ASP 32 - HG3 GLN 111 OK 22 100 - 22 - 7327/4.7=5, 3628/3.0=4...(5) Peak 3647 from cnoeabs.peaks (2.00, 2.78, 32.11 ppm; 4.72 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 + HG3 GLN 111 OK 77 99 - 78 - 3638/1.8=12, 3629/3.0=11...(26) HB VAL 63 - HG3 GLN 111 OK 32 94 - 34 - ~9867=7, ~9872=5...(14) QE MET 113 - HG3 GLN 111 OK 25 98 - 26 - 3606/3.9=4, 7328/4.7=4...(11) QE MET 11 - HG3 GLN 111 OK 23 98 - 24 - 42/3.9=6, 3629/3.0=3...(10) QE MET 59 - HG3 GLN 111 OK 18 92 - 19 - 10567/9254=4...(7) HB3 GLU 90 - HG3 GLN 111 OK 16 92 - 17 - 3606/3.9=2, 3638/1.8=2...(8) HB2 GLU 142 - HG3 GLN 111 OK 11 72 - 15 - 3629/3.0=2, 3638/1.8=2...(7) HG3 GLU 122 - HG3 GLN 111 lone 7 94 - 7 - HB3 GLU 37 - HG3 GLN 111 lone 3 72 - 4 - 3.0/2440=1 Peak 3648 from cnoeabs.peaks (1.90, 2.78, 32.11 ppm; 5.61 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.0=100 HB2 LYS 24 - HG3 GLN 111 OK 43 100 - 43 - ~11316=9, 11371/3.9=8...(14) HB ILE 136 - HG3 GLN 111 OK 41 68 - 61 - ~11485=10, 2.5/10752=9...(20) HB3 ARG 140 - HG3 GLN 111 OK 40 96 - 42 - 3607/3.9=6, ~11485=6...(17) HB ILE 101 - HG3 GLN 111 OK 37 100 - 38 - ~11023=5, ~11025=4...(19) HB3 LEU 69 - HG3 GLN 111 OK 37 94 - 39 - 3607/3.9=4, 7329/4.7=4...(17) HB3 ARG 89 - HG3 GLN 111 OK 28 100 - 28 - ~11485=4, 3607/3.9=4...(13) HB3 LYS 93 - HG3 GLN 111 OK 18 94 - 19 - ~11485=2, 3607/3.9=2...(5) HB3 ARG 141 - HG3 GLN 111 lone 6 85 - 7 - QE MET 68 - HG3 GLN 111 lone 6 89 - 7 - 8424/10752=1 Peak 3649 from cnoeabs.peaks (2.13, 2.78, 32.11 ppm; 4.23 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 1.8=100 HB2 GLU 75 - HG3 GLN 111 OK 26 92 - 28 - 3631/3.0=4, 3621/3.0=3...(15) HB VAL 73 - HG3 GLN 111 OK 25 85 - 30 - 3631/3.0=5, 3621/3.0=4...(11) HG3 PRO 118 - HG3 GLN 111 OK 15 92 - 16 - 3631/3.0=3, 3621/3.0=2...(6) HG2 GLU 81 - HG3 GLN 111 OK 11 81 - 13 - 3.7/2440=3, 3608/3.9=2...(6) HB2 GLN 133 - HG3 GLN 111 poor 7 68 - 10 - 3631/3.0=1, 4.5/9603=1 HB3 GLN 133 - HG3 GLN 111 poor 7 62 - 11 - 3631/3.0=1, 4.5/9603=1 Peak 3650 from cnoeabs.peaks (2.78, 2.78, 32.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 111 + HG3 GLN 111 OK 100 100 - 100 Peak 3651 from cnoeabs.peaks (6.88, 2.78, 32.11 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.5=100 HE22 GLN 47 - HG3 GLN 111 OK 20 96 - 21 - 8180/3.0=10, 3642/1.8=6 HE21 GLN 25 - HG3 GLN 111 lone 7 92 - 8 - 3642/1.8=3, 7351/3.5=1 HD2 HIS 14 - HG3 GLN 111 lone 7 77 - 9 - 4502/3993=3, 3642/1.8=2 HZ PHE 23 - HG3 GLN 111 lone 6 98 - 6 - 3642/1.8=2 HE21 GLN 22 - HG3 GLN 111 lone 2 62 - 3 - Peak 3654 from cnoeabs.peaks (9.19, 3.91, 62.06 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 112 + HA TYR 112 OK 100 100 - 100 - 2.9=100 H ASP 65 - HA TYR 112 OK 17 100 - 17 - 3673/2.9=4, 7377/3.6=4...(5) Peak 3655 from cnoeabs.peaks (3.91, 3.91, 62.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 112 + HA TYR 112 OK 100 100 - 100 Peak 3656 from cnoeabs.peaks (3.25, 3.91, 62.06 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 112 + HA TYR 112 OK 100 100 - 100 - 2.9=100 HD2 PRO 52 + HA TYR 112 OK 55 100 - 55 - 3675/2.9=8, 7366/2.9=8...(17) HD2 ARG 89 - HA TYR 112 OK 16 98 - 16 - 3656=4, 7366/2.9=3...(5) Peak 3657 from cnoeabs.peaks (3.41, 3.91, 62.06 ppm; 4.18 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 112 + HA TYR 112 OK 100 100 - 100 - 2.9=100 HA THR 74 + HA TYR 112 OK 56 89 - 63 - 8560/5.6=11, 7367/2.9=9...(19) HD2 PRO 98 + HA TYR 112 OK 47 68 - 70 - 3657=7, 3668/2.9=7...(27) Peak 3658 from cnoeabs.peaks (6.93, 3.91, 62.06 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 112 + HA TYR 112 OK 100 100 - 100 - 3.7=100 QD PHE 23 - HA TYR 112 OK 34 89 - 38 - 3669/2.9=7, 7368/2.9=7...(11) Peak 3661 from cnoeabs.peaks (8.12, 3.91, 62.06 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.78: * H TYR 115 + HA TYR 112 OK 75 100 - 75 - 4.6/10245=35, 7415=34...(9) H LEU 87 + HA TYR 112 OK 12 100 - 13 - 7435/10245=4, ~7358=2...(5) Peak 3665 from cnoeabs.peaks (9.19, 3.25, 38.88 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 4.0=100 H ASP 65 - HB2 TYR 112 OK 21 100 - 21 - 3673/1.8=8, 3654/2.9=6...(5) Peak 3666 from cnoeabs.peaks (3.91, 3.25, 38.88 ppm; 6.25 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 2.9=100 HD3 PRO 98 + HB2 TYR 112 OK 61 68 - 90 - ~3271=13, ~3263=13...(22) HD2 PRO 129 - HB2 TYR 112 OK 44 81 - 53 - 3674/1.8=8, ~4404=7...(14) HA MET 46 - HB2 TYR 112 OK 25 81 - 31 - 7378/4.7=6, 3674/1.8=5...(9) Peak 3667 from cnoeabs.peaks (3.25, 3.25, 38.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 112 + HB2 TYR 112 OK 100 100 - 100 Peak 3668 from cnoeabs.peaks (3.41, 3.25, 38.88 ppm; 4.63 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 1.8=100 HA THR 74 + HB2 TYR 112 OK 58 89 - 65 - 8560/4.5=18, 3657/2.9=10...(16) HD2 PRO 98 + HB2 TYR 112 OK 52 68 - 77 - ~3247=10, ~3247=9...(22) Peak 3669 from cnoeabs.peaks (6.93, 3.25, 38.88 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 2.7=100 QD PHE 23 - HB2 TYR 112 OK 40 89 - 45 - 3658/2.9=10, 7368/4.0=7...(11) Peak 3672 from cnoeabs.peaks (3.61, 3.41, 38.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.87: * HA ARG 109 + HB3 TYR 112 OK 85 100 - 85 - 7354/4.0=42...(10) HA LYS 61 + HB3 TYR 112 OK 13 96 - 14 - 7373/4.7=4, 7354/4.0=3...(4) HA2 GLY 31 - HB3 TYR 112 lone 5 72 - 7 - 7373/4.7=2, 7354/4.0=2 Peak 3673 from cnoeabs.peaks (9.19, 3.41, 38.88 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 112 + HB3 TYR 112 OK 100 100 - 100 - 4.0=100 H ASP 65 - HB3 TYR 112 OK 22 100 - 22 - 3665/1.8=7, 3654/2.9=6...(7) Peak 3674 from cnoeabs.peaks (3.91, 3.41, 38.88 ppm; 6.26 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 112 + HB3 TYR 112 OK 100 100 - 100 - 2.9=100 HD3 PRO 98 + HB3 TYR 112 OK 58 68 - 86 - ~3668=11, 3666/1.8=11...(26) HD2 PRO 129 - HB3 TYR 112 OK 43 81 - 53 - 3666/1.8=8, ~4404=7...(14) HA MET 46 - HB3 TYR 112 OK 26 81 - 32 - 7378/4.7=6, 4651/2.7=5...(8) Peak 3675 from cnoeabs.peaks (3.25, 3.41, 38.88 ppm; 4.97 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 112 + HB3 TYR 112 OK 100 100 - 100 - 1.8=100 HD2 PRO 52 + HB3 TYR 112 OK 69 100 - 69 - 3656/2.9=13, ~1338=10...(15) HD2 ARG 89 - HB3 TYR 112 OK 20 98 - 20 - 3656/2.9=4, 7366/4.0=3...(9) Peak 3676 from cnoeabs.peaks (3.41, 3.41, 38.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 112 + HB3 TYR 112 OK 100 100 - 100 Peak 3679 from cnoeabs.peaks (8.87, 3.41, 38.88 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HB3 TYR 112 OK 100 100 - 100 - 4.7=100 Peak 3680 from cnoeabs.peaks (8.87, 4.00, 60.14 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HA MET 113 OK 100 100 - 100 - 3.0=100 Peak 3681 from cnoeabs.peaks (4.00, 4.00, 60.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 113 + HA MET 113 OK 100 100 - 100 Peak 3682 from cnoeabs.peaks (2.19, 4.00, 60.14 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 113 + HA MET 113 OK 100 100 - 100 - 3.0=100 HB2 MET 46 - HA MET 113 OK 43 100 - 43 - 3700/3.0=6, 7384/3.0=6...(16) HG2 GLU 75 - HA MET 113 OK 33 100 - 33 - 5.0/11700=5, 3700/3.0=4...(14) HB3 PRO 57 - HA MET 113 OK 27 81 - 33 - 3700/3.0=4, 3708/3.7=3...(16) HB3 LYS 86 - HA MET 113 OK 12 68 - 18 - 3700/3.0=3, 3708/3.7=2...(6) Peak 3683 from cnoeabs.peaks (2.27, 4.00, 60.14 ppm; 3.74 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 113 + HA MET 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 90 + HA MET 113 OK 80 100 - 81 - 3692/3.0=10, 2936/3.7=9...(32) HG3 GLU 90 - HA MET 113 OK 44 68 - 66 - 2942/3.0=7, 3.0/3686=6...(27) HG3 PRO 129 - HA MET 113 OK 32 92 - 35 - 3692/3.0=3, 7385/3.0=3...(19) HG3 GLU 142 - HA MET 113 OK 21 100 - 21 - 9567/3.7=3, 3692/3.0=2...(10) HG2 GLU 131 - HA MET 113 OK 15 100 - 15 - 9567/3.7=3, 3692/3.0=1...(5) Peak 3684 from cnoeabs.peaks (2.25, 4.00, 60.14 ppm; 3.74 A): 2 out of 3 assignments used, quality = 1.00: * HG2 MET 113 + HA MET 113 OK 100 100 - 100 - 3.7=100 HG3 GLU 90 + HA MET 113 OK 73 96 - 76 - 3702/3.0=16, 3693/3.0=13...(28) HG3 PRO 129 - HA MET 113 OK 29 77 - 37 - 3702/3.0=5, 3693/3.0=4...(18) Peak 3685 from cnoeabs.peaks (2.75, 4.00, 60.14 ppm; 4.61 A): 2 out of 9 assignments used, quality = 1.00: * HG3 MET 113 + HA MET 113 OK 100 100 - 100 - 3.7=100 HE2 LYS 114 + HA MET 113 OK 52 85 - 61 - 7387/3.0=8, 1.8/3821=8...(18) HE2 LYS 76 - HA MET 113 OK 41 89 - 46 - 3703/3.0=5, 3694/3.0=5...(17) HE3 LYS 76 - HA MET 113 OK 32 72 - 45 - 3703/3.0=4, 3694/3.0=4...(19) HB3 ASP 40 - HA MET 113 OK 22 98 - 22 - 4.4/3687=4, 10749/3.6=4...(7) HB3 PHE 43 - HA MET 113 OK 21 100 - 21 - ~971=4, ~971=3...(8) HB3 ASP 137 - HA MET 113 OK 13 100 - 13 - 3694/3.0=1, 3703/3.0=1...(6) HB2 ASN 54 - HA MET 113 OK 12 100 - 12 - ~10247=3, 3694/3.0=1...(5) HB2 ASN 96 - HA MET 113 poor 9 81 - 11 - 3711/3.7=2, 3703/3.0=2...(5) Peak 3686 from cnoeabs.peaks (1.99, 4.00, 60.14 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.99: * QE MET 113 + HA MET 113 OK 98 100 - 98 - 5.4=61, 3722/3.0=41...(22) HB3 GLU 90 + HA MET 113 OK 64 72 - 89 - 3.0/3684=14, 3.0/3683=11...(30) HB2 GLU 142 - HA MET 113 OK 30 92 - 32 - 3704/3.0=5, 3695/3.0=4...(16) HB VAL 63 - HA MET 113 OK 24 100 - 24 - ~9873=4, 3695/3.0=3...(8) HB2 GLN 111 - HA MET 113 OK 23 98 - 24 - 7388/3.0=6, 7402/3.6=4...(7) HG3 GLU 122 - HA MET 113 OK 18 77 - 23 - 1.8/4081=4, 3.0/4066=3...(12) HG3 PRO 52 - HA MET 113 OK 16 89 - 18 - ~7379=5, 7388/3.0=3...(8) QE MET 59 - HA MET 113 OK 14 100 - 14 - 10563=1, 7388/3.0=1...(8) QE MET 11 - HA MET 113 OK 11 85 - 13 - 10664/3.0=4, 7402/3.6=1...(5) Peak 3687 from cnoeabs.peaks (7.38, 4.00, 60.14 ppm; 4.52 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 114 + HA MET 113 OK 100 100 - 100 - 3.6=100 H ARG 49 + HA MET 113 OK 46 100 - 46 - 7396/3.0=11, 3696/3.0=8...(10) H ASP 41 - HA MET 113 OK 29 96 - 30 - 3696/3.0=5, 3705/3.0=5...(7) Peak 3688 from cnoeabs.peaks (3.81, 2.19, 33.22 ppm; 5.11 A): 3 out of 3 assignments used, quality = 0.93: * HA THR 110 + HB2 MET 113 OK 87 100 - 87 - 3590/4.1=34, 3592/1.8=33...(7) HA3 GLY 50 + HB2 MET 113 OK 29 92 - 32 - 3697/1.8=9, 7374/4.1=8...(6) HA LEU 66 + HB2 MET 113 OK 28 81 - 34 - 3697/1.8=9, 9337/4.2=9...(9) Peak 3689 from cnoeabs.peaks (8.87, 2.19, 33.22 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HB2 MET 113 OK 100 100 - 100 - 4.1=100 Peak 3690 from cnoeabs.peaks (4.00, 2.19, 33.22 ppm; 4.38 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HB2 MET 113 OK 100 100 - 100 - 3.0=100 HA LYS 114 + HB2 MET 113 OK 71 100 - 71 - 3.0/3696=17, ~7399=11...(21) HB2 SER 138 - HB2 MET 113 OK 28 100 - 28 - 3699/1.8=4, 3715/3.0=3...(12) HB3 SER 138 - HB2 MET 113 OK 28 100 - 28 - 3699/1.8=4, 3715/3.0=3...(12) HA LEU 69 - HB2 MET 113 OK 22 100 - 22 - 3723/4.2=4, 3699/1.8=3...(9) HA GLU 122 - HB2 MET 113 OK 20 100 - 20 - 3699/1.8=3, 3723/4.2=2...(9) HB3 SER 127 - HB2 MET 113 OK 17 81 - 21 - ~10193=3, 3699/1.8=3...(10) HB3 SER 100 - HB2 MET 113 OK 11 72 - 14 - 1.8/3688=3, ~10196=2...(6) HB2 SER 103 - HB2 MET 113 lone 2 72 - 3 - Peak 3691 from cnoeabs.peaks (2.19, 2.19, 33.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 113 + HB2 MET 113 OK 100 100 - 100 Peak 3692 from cnoeabs.peaks (2.27, 2.19, 33.22 ppm; 3.14 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 113 + HB2 MET 113 OK 100 100 - 100 - 1.8=100 HG2 GLU 90 + HB2 MET 113 OK 82 100 - 82 - ~3702=10, ~3702=8...(42) HG3 GLU 90 + HB2 MET 113 OK 47 68 - 70 - 2942/1.8=8, 3.0/3695=5...(35) HG3 PRO 129 - HB2 MET 113 OK 26 92 - 28 - ~4395=3, 3709/3.0=2...(16) HG3 GLU 142 - HB2 MET 113 OK 19 100 - 18 - 3.0/3695=2, 9567/3.0=2...(10) HG2 GLU 131 - HB2 MET 113 OK 12 100 - 12 - 9567/3.0=2, ~4465=1...(4) Peak 3693 from cnoeabs.peaks (2.25, 2.19, 33.22 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * HG2 MET 113 + HB2 MET 113 OK 100 100 - 100 - 3.0=100 HG3 GLU 90 + HB2 MET 113 OK 73 96 - 76 - 3702/1.8=17, 3718/3.0=9...(36) HG3 PRO 129 - HB2 MET 113 OK 24 77 - 30 - 3702/1.8=5, 3684/3.0=3...(16) Peak 3694 from cnoeabs.peaks (2.75, 2.19, 33.22 ppm; 3.95 A): 1 out of 9 assignments used, quality = 1.00: * HG3 MET 113 + HB2 MET 113 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 - HB2 MET 113 OK 37 89 - 42 - 3703/1.8=5, 3711/3.0=5...(17) HE2 LYS 114 - HB2 MET 113 OK 36 85 - 42 - 3703/1.8=5, 7.0/3696=5...(16) HE3 LYS 76 - HB2 MET 113 OK 30 72 - 41 - 3703/1.8=4, ~3703=4...(17) HB3 PHE 43 - HB2 MET 113 OK 22 100 - 22 - 3.0/971=5, 3703/1.8=3...(9) HB3 ASP 40 - HB2 MET 113 OK 19 98 - 19 - 4.4/3696=3, 3703/1.8=3...(7) HB3 ASP 137 - HB2 MET 113 lone 10 100 - 10 - 3703/1.8=1, 3711/3.0=1 HB2 ASN 96 - HB2 MET 113 poor 10 81 - 12 - 3711/3.0=2, 3727/4.2=2...(6) HB2 ASN 54 - HB2 MET 113 lone 9 100 - 9 - 3703/1.8=1, 3711/3.0=1 Peak 3695 from cnoeabs.peaks (1.99, 2.19, 33.22 ppm; 4.00 A): 2 out of 9 assignments used, quality = 0.99: * QE MET 113 + HB2 MET 113 OK 98 100 - 98 - 4.2=90, 3722/4.1=25...(15) HB3 GLU 90 + HB2 MET 113 OK 66 72 - 92 - 3.0/3693=14, ~2921=12...(38) HB2 GLU 142 - HB2 MET 113 OK 31 92 - 33 - 3704/1.8=5, 3712/3.0=3...(14) HB VAL 63 - HB2 MET 113 OK 26 100 - 26 - 2.1/9873=6, 2.1/9830=5...(8) HB2 GLN 111 - HB2 MET 113 OK 17 98 - 18 - 7388/4.1=4, 3704/1.8=3...(8) HG3 GLU 122 - HB2 MET 113 OK 12 77 - 16 - 3704/1.8=2, 4088/3.0=2...(8) QE MET 11 - HB2 MET 113 OK 10 85 - 12 - 10664=4, 3704/1.8=1 HG3 PRO 52 - HB2 MET 113 OK 10 89 - 11 - 7388/4.1=2, 9280/3591=2...(6) QE MET 59 - HB2 MET 113 lone 9 100 - 9 - 3704/1.8=1, 10563/3.0=1 Peak 3696 from cnoeabs.peaks (7.38, 2.19, 33.22 ppm; 4.60 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 114 + HB2 MET 113 OK 100 100 - 100 - 4.7=97, 3.0/7384=27...(27) H ARG 49 + HB2 MET 113 OK 45 100 - 45 - 3705/1.8=10, 7396/4.1=9...(9) H ASP 41 - HB2 MET 113 OK 28 96 - 29 - 3705/1.8=6, 3687/3.0=5...(8) Peak 3697 from cnoeabs.peaks (3.81, 2.27, 33.22 ppm; 4.74 A): 3 out of 3 assignments used, quality = 0.93: * HA THR 110 + HB3 MET 113 OK 86 100 - 86 - 3592=33, 3590/4.1=30...(8) HA LEU 66 + HB3 MET 113 OK 29 81 - 36 - 9337/4.2=8, 3688/1.8=7...(9) HA3 GLY 50 + HB3 MET 113 OK 26 92 - 29 - 3688/1.8=8, 9337/4.2=7...(5) Peak 3698 from cnoeabs.peaks (8.87, 2.27, 33.22 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.99: * H MET 113 + HB3 MET 113 OK 99 100 - 99 - 4.1=94, 3714/3.0=31...(18) Peak 3699 from cnoeabs.peaks (4.00, 2.27, 33.22 ppm; 4.02 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HB3 MET 113 OK 100 100 - 100 - 3.0=100 HA LYS 114 + HB3 MET 113 OK 68 100 - 68 - 3.0/7399=14, ~3696=10...(20) HB2 SER 138 - HB3 MET 113 OK 24 100 - 24 - 3690/1.8=3, 3715/3.0=3...(12) HB3 SER 138 - HB3 MET 113 OK 24 100 - 24 - 3690/1.8=3, 3715/3.0=3...(12) HA LEU 69 - HB3 MET 113 OK 21 100 - 21 - 3723/4.2=3, 3690/1.8=2...(9) HA GLU 122 - HB3 MET 113 OK 18 100 - 18 - 3690/1.8=2, 3723/4.2=2...(9) HB3 SER 127 - HB3 MET 113 OK 17 81 - 20 - ~10193=2, ~4322=2...(11) HB3 SER 100 - HB3 MET 113 poor 9 72 - 13 - 1.8/3697=2, ~10196=2...(5) HB2 SER 103 - HB3 MET 113 lone 2 72 - 2 - Peak 3700 from cnoeabs.peaks (2.19, 2.27, 33.22 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 113 + HB3 MET 113 OK 100 100 - 100 - 1.8=100 HB2 MET 46 - HB3 MET 113 OK 28 100 - 29 - 3708/3.0=4, 3716/3.0=4...(13) HG2 GLU 75 - HB3 MET 113 OK 21 100 - 21 - 3682/3.0=3, 3716/3.0=3...(12) HB3 PRO 57 - HB3 MET 113 OK 18 81 - 22 - 3708/3.0=2, 3716/3.0=2...(14) HB3 LYS 86 - HB3 MET 113 poor 9 68 - 13 - 3708/3.0=2, 3716/3.0=1...(4) Peak 3701 from cnoeabs.peaks (2.27, 2.27, 33.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 113 + HB3 MET 113 OK 100 100 - 100 Peak 3702 from cnoeabs.peaks (2.25, 2.27, 33.22 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.92: * HG2 MET 113 + HB3 MET 113 OK 74 100 - 74 - 3.0=58, 3706/4.1=8...(17) HG3 GLU 90 + HB3 MET 113 OK 63 96 - 65 - 2942=16, 3693/1.8=8...(31) HG3 PRO 129 + HB3 MET 113 OK 18 77 - 23 - 3693/1.8=3, 1.8/4395=3...(9) Peak 3703 from cnoeabs.peaks (2.75, 2.27, 33.22 ppm; 3.63 A): 1 out of 9 assignments used, quality = 1.00: * HG3 MET 113 + HB3 MET 113 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 - HB3 MET 113 OK 33 89 - 37 - 3694/1.8=4, 3711/3.0=4...(16) HE2 LYS 114 - HB3 MET 113 OK 32 85 - 38 - 3694/1.8=4, 7387/4.1=4...(15) HE3 LYS 76 - HB3 MET 113 OK 26 72 - 36 - 3694/1.8=3, 3711/3.0=3...(15) HB3 PHE 43 - HB3 MET 113 OK 19 100 - 20 - ~971=3, 3694/1.8=3...(8) HB3 ASP 40 - HB3 MET 113 OK 15 98 - 16 - 4.4/3705=2, 3694/1.8=2...(7) HB2 ASN 96 - HB3 MET 113 poor 9 81 - 10 - 3711/3.0=2, 3727/4.2=1...(4) HB3 ASP 137 - HB3 MET 113 lone 8 100 - 8 - 3694/1.8=1 HB2 ASN 54 - HB3 MET 113 lone 8 100 - 8 - 3694/1.8=1 Peak 3704 from cnoeabs.peaks (1.99, 2.27, 33.22 ppm; 3.54 A): 2 out of 9 assignments used, quality = 0.97: * QE MET 113 + HB3 MET 113 OK 91 100 - 91 - 4.2=62, 3724/1.8=30...(12) HB3 GLU 90 + HB3 MET 113 OK 62 72 - 86 - 1.8/2921=15, 3.0/3702=15...(39) HB2 GLU 142 - HB3 MET 113 OK 28 92 - 30 - 4843=4, 3695/1.8=3...(13) HB VAL 63 - HB3 MET 113 OK 19 100 - 19 - ~9873=3, ~9830=3...(7) HB2 GLN 111 - HB3 MET 113 OK 15 98 - 15 - 7388/4.1=3, 11022/9323=2...(8) HG3 GLU 122 - HB3 MET 113 OK 10 77 - 13 - 3695/1.8=1, 4088/3.0=1...(5) HG3 PRO 52 - HB3 MET 113 lone 8 89 - 9 - 9280/3592=1, 7388/4.1=1...(5) QE MET 11 - HB3 MET 113 lone 8 85 - 9 - 10664/1.8=4 QE MET 59 - HB3 MET 113 lone 7 100 - 7 - Peak 3705 from cnoeabs.peaks (7.38, 2.27, 33.22 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 114 + HB3 MET 113 OK 100 100 - 100 - 4.7=100 H ARG 49 + HB3 MET 113 OK 47 100 - 47 - 3696/1.8=11, 7396/4.1=9...(9) H ASP 41 - HB3 MET 113 OK 30 96 - 31 - 3696/1.8=7, 3687/3.0=6...(8) Peak 3706 from cnoeabs.peaks (8.87, 2.25, 32.48 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.95: * H MET 113 + HG2 MET 113 OK 95 100 - 95 - 5.2=47, 3714/1.8=40...(21) Peak 3707 from cnoeabs.peaks (4.00, 2.25, 32.48 ppm; 4.19 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.7=100 HA LYS 114 + HG2 MET 113 OK 68 100 - 68 - 3.0/7400=17, 3715/1.8=9...(19) HB2 SER 138 - HG2 MET 113 OK 27 100 - 27 - 3715/1.8=4, 3699/3.0=3...(13) HB3 SER 138 - HG2 MET 113 OK 27 100 - 27 - 3715/1.8=4, 3699/3.0=3...(13) HA LEU 69 - HG2 MET 113 OK 22 100 - 22 - 3723/3.3=4, 3715/1.8=3...(9) HA GLU 122 - HG2 MET 113 OK 18 100 - 18 - 3723/3.3=3, 3715/1.8=3...(7) HB3 SER 127 - HG2 MET 113 OK 12 81 - 15 - ~10193=3, 3699/3.0=2...(6) HB3 SER 100 - HG2 MET 113 OK 10 72 - 14 - 1.8/10196=3, ~9337=2...(8) HB2 SER 103 - HG2 MET 113 lone 1 72 - 2 - Peak 3708 from cnoeabs.peaks (2.19, 2.25, 32.48 ppm; 3.27 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.0=100 HB2 MET 46 - HG2 MET 113 OK 30 100 - 30 - 3716/1.8=6, 3700/3.0=4...(13) HG2 GLU 75 - HG2 MET 113 OK 20 100 - 20 - 3716/1.8=4, 3700/3.0=3...(6) HB3 PRO 57 - HG2 MET 113 OK 18 81 - 22 - 3716/1.8=4, 3700/3.0=3...(9) HB3 LYS 86 - HG2 MET 113 poor 9 68 - 13 - 3716/1.8=2, 3700/3.0=2...(4) Peak 3709 from cnoeabs.peaks (2.27, 2.25, 32.48 ppm; 3.07 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 90 + HG2 MET 113 OK 84 100 - 85 - 2936=13, 3717/1.8=10...(47) HG3 GLU 90 + HG2 MET 113 OK 50 68 - 74 - 1.8/2936=11, 3.0/2929=7...(39) HG3 PRO 129 - HG2 MET 113 OK 26 92 - 29 - 3717/1.8=3, 1.8/4395=2...(16) HG3 GLU 142 - HG2 MET 113 OK 15 100 - 15 - 3717/1.8=2, 3.0/3712=2...(6) HG2 GLU 131 - HG2 MET 113 lone 9 100 - 9 - 9567/1.8=2, 3692/3.0=1 Peak 3710 from cnoeabs.peaks (2.25, 2.25, 32.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 113 + HG2 MET 113 OK 100 100 - 100 Peak 3711 from cnoeabs.peaks (2.75, 2.25, 32.48 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * HG3 MET 113 + HG2 MET 113 OK 100 100 - 100 - 1.8=100 HE2 LYS 76 - HG2 MET 113 OK 28 89 - 32 - 3703/3.0=3, 3727/3.3=3...(16) HE3 LYS 76 - HG2 MET 113 OK 22 72 - 31 - 3703/3.0=2, 3694/3.0=2...(13) HE2 LYS 114 - HG2 MET 113 OK 20 85 - 24 - 3703/3.0=3, 7.0/3713=3...(8) HB3 PHE 43 - HG2 MET 113 OK 16 100 - 16 - ~971=2, 3703/3.0=2...(10) HB3 ASP 40 - HG2 MET 113 OK 12 98 - 13 - 4.4/3713=2, 3703/3.0=1...(5) HB2 ASN 96 - HG2 MET 113 OK 10 81 - 13 - ~3183=2, ~9338=2...(6) HB3 ASP 137 - HG2 MET 113 lone 7 100 - 7 - HB2 ASN 54 - HG2 MET 113 lone 7 100 - 7 - Peak 3712 from cnoeabs.peaks (1.99, 2.25, 32.48 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * QE MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.3=100 HB3 GLU 90 + HG2 MET 113 OK 67 72 - 92 - 1.8/2922=13, 3.0/2936=11...(53) HB2 GLU 142 - HG2 MET 113 OK 27 92 - 29 - 3704/3.0=3, 3720/1.8=3...(11) HB VAL 63 - HG2 MET 113 OK 25 100 - 25 - 3720/1.8=3, ~10932=3...(11) HB2 GLN 111 - HG2 MET 113 OK 19 98 - 20 - 11022/9326=3, 3720/1.8=2...(7) HG3 PRO 52 - HG2 MET 113 OK 12 89 - 14 - 3720/1.8=2, 7388/5.2=1 HG3 GLU 122 - HG2 MET 113 OK 11 77 - 14 - 9457/9325=2, 3720/1.8=1...(6) QE MET 59 - HG2 MET 113 lone 9 100 - 9 - 3720/1.8=1 QE MET 11 - HG2 MET 113 lone 8 85 - 10 - 10664/3.0=3, 3720/1.8=1 Peak 3713 from cnoeabs.peaks (7.38, 2.25, 32.48 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 114 + HG2 MET 113 OK 99 100 - 99 - 3.0/3706=44, ~3714=34...(31) H ARG 49 + HG2 MET 113 OK 50 100 - 50 - 3696/3.0=10, 3729/3.3=10...(8) H ASP 41 - HG2 MET 113 OK 32 96 - 33 - 3705/3.0=6, 3696/3.0=6...(8) Peak 3714 from cnoeabs.peaks (8.87, 2.75, 32.48 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.93: * H MET 113 + HG3 MET 113 OK 93 100 - 93 - 5.2=40, 3706/1.8=35...(22) Peak 3715 from cnoeabs.peaks (4.00, 2.75, 32.48 ppm; 4.13 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.7=100 HA LYS 114 + HG3 MET 113 OK 70 100 - 70 - ~7400=11, 3707/1.8=9...(21) HB2 SER 138 - HG3 MET 113 OK 28 100 - 28 - 3707/1.8=4, 3699/3.0=3...(14) HB3 SER 138 - HG3 MET 113 OK 28 100 - 28 - 3707/1.8=4, 3699/3.0=3...(14) HA LEU 69 - HG3 MET 113 OK 23 100 - 23 - 3723/3.3=4, 3707/1.8=3...(10) HA GLU 122 - HG3 MET 113 OK 19 100 - 19 - 3723/3.3=3, 3707/1.8=2...(7) HB3 SER 127 - HG3 MET 113 OK 12 81 - 15 - 1.8/10193=3, 3699/3.0=2...(6) HB3 SER 100 - HG3 MET 113 poor 10 72 - 13 - ~10196=2, ~9337=2...(8) HB2 SER 103 - HG3 MET 113 lone 1 72 - 2 - Peak 3716 from cnoeabs.peaks (2.19, 2.75, 32.48 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.0=100 HB2 MET 46 - HG3 MET 113 OK 32 100 - 33 - 3708/1.8=6, 10711/9327=5...(13) HG2 GLU 75 - HG3 MET 113 OK 23 100 - 23 - 3708/1.8=4, 3700/3.0=3...(8) HB3 PRO 57 - HG3 MET 113 OK 20 81 - 24 - 3708/1.8=4, 3700/3.0=3...(12) HB3 LYS 86 - HG3 MET 113 poor 10 68 - 14 - 3708/1.8=3, 3700/3.0=2...(4) Peak 3717 from cnoeabs.peaks (2.27, 2.75, 32.48 ppm; 3.10 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 90 + HG3 MET 113 OK 78 100 - 78 - 2936/1.8=12, 3725/3.3=7...(39) HG3 GLU 90 + HG3 MET 113 OK 48 68 - 71 - 3.0/11642=7, 3.0/10071=7...(33) HG3 PRO 129 - HG3 MET 113 OK 22 92 - 24 - 3709/1.8=3, 3692/3.0=2...(15) HG3 GLU 142 - HG3 MET 113 OK 16 100 - 16 - 3709/1.8=2, 9567=2...(7) HG2 GLU 131 - HG3 MET 113 OK 11 100 - 11 - 9567=2, 3709/1.8=1, 3692/3.0=1 Peak 3718 from cnoeabs.peaks (2.25, 2.75, 32.48 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * HG2 MET 113 + HG3 MET 113 OK 100 100 - 100 - 1.8=100 HG3 GLU 90 + HG3 MET 113 OK 74 96 - 77 - 3702/3.0=12, 3726/3.3=9...(35) HG3 PRO 129 - HG3 MET 113 OK 21 77 - 27 - 3702/3.0=3, 3693/3.0=3...(17) Peak 3719 from cnoeabs.peaks (2.75, 2.75, 32.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 113 + HG3 MET 113 OK 100 100 - 100 Peak 3720 from cnoeabs.peaks (1.99, 2.75, 32.48 ppm; 4.02 A): 2 out of 9 assignments used, quality = 1.00: * QE MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.3=100 HB3 GLU 90 + HG3 MET 113 OK 68 72 - 94 - 1.8/10071=15...(47) HB2 GLU 142 - HG3 MET 113 OK 29 92 - 31 - 3712/1.8=4, 3704/3.0=4...(10) HB VAL 63 - HG3 MET 113 OK 28 100 - 28 - 3712/1.8=4, 2.1/10932=3...(11) HB2 GLN 111 - HG3 MET 113 OK 21 98 - 22 - 11022/9327=4, 3712/1.8=3...(9) HG3 PRO 52 - HG3 MET 113 OK 13 89 - 15 - 3712/1.8=2, 11022/9327=1...(6) HG3 GLU 122 - HG3 MET 113 OK 12 77 - 16 - 9457/9328=2, 3.9/3715=2...(6) QE MET 59 - HG3 MET 113 OK 10 100 - 10 - 3712/1.8=1, 10563/3.7=1 QE MET 11 - HG3 MET 113 poor 9 85 - 10 - 10664/3.0=4, 3712/1.8=1 Peak 3722 from cnoeabs.peaks (8.87, 1.99, 15.64 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.85: * H MET 113 + QE MET 113 OK 85 100 - 85 - 3714/3.3=24, 3706/3.3=22...(20) Peak 3723 from cnoeabs.peaks (4.00, 1.99, 15.64 ppm; 3.62 A): 2 out of 9 assignments used, quality = 0.94: * HA MET 113 + QE MET 113 OK 89 100 - 89 - 5.4=30, 3.0/3722=28...(19) HA LYS 114 + QE MET 113 OK 46 100 - 46 - 3.0/3729=16, 3715/3.3=5...(12) HA LEU 69 - QE MET 113 OK 30 100 - 30 - 3.9/9333=9, 3.0/9334=3...(10) HA GLU 122 - QE MET 113 OK 20 100 - 20 - 4062=2, 10419/9330=2...(9) HB2 SER 138 - QE MET 113 OK 17 100 - 17 - 3715/3.3=2, 3707/3.3=2...(8) HB3 SER 138 - QE MET 113 OK 17 100 - 17 - 3715/3.3=2, 3707/3.3=2...(8) HB3 SER 127 - QE MET 113 poor 10 81 - 12 - ~10193=2, 9521/9332=1...(5) HB3 SER 100 - QE MET 113 poor 8 72 - 10 - 1.8/9337=3, ~10196=1 HB2 SER 103 - QE MET 113 lone 1 72 - 2 - Peak 3724 from cnoeabs.peaks (2.19, 1.99, 15.64 ppm; 2.79 A): 3 out of 5 assignments used, quality = 0.77: * HB2 MET 113 + QE MET 113 OK 70 100 - 70 - 4.2=30, 1.8/3725=14...(12) HB2 MET 46 + QE MET 113 OK 14 100 - 14 - 3708/3.3=3, 3716/3.3=3...(5) HG2 GLU 75 + QE MET 113 OK 12 100 - 12 - 3716/3.3=2, 3708/3.3=2 HB3 PRO 57 - QE MET 113 poor 8 81 - 10 - 3708/3.3=2, 3716/3.3=2 HB3 LYS 86 - QE MET 113 lone 4 68 - 6 - 3708/3.3=1, 3716/3.3=1 Peak 3725 from cnoeabs.peaks (2.27, 1.99, 15.64 ppm; 2.56 A): 4 out of 6 assignments used, quality = 0.88: * HB3 MET 113 + QE MET 113 OK 62 100 - 62 - 4.2=23, 1.8/3724=19...(10) HG2 GLU 90 + QE MET 113 OK 48 100 - 48 - 2934=11, 1.8/2941=7...(22) HG3 GLU 90 + QE MET 113 OK 28 68 - 42 - 1.8/2934=7, 2941=6...(20) HG3 PRO 129 + QE MET 113 OK 12 92 - 13 - 9532/10189=2, 3709/3.3=1 HG3 GLU 142 - QE MET 113 lone 9 100 - 9 - 4861=2, 1.8/4854=1, 9567/3.3=1 HG2 GLU 131 - QE MET 113 lone 5 100 - 5 - 9567/3.3=1 Peak 3726 from cnoeabs.peaks (2.25, 1.99, 15.64 ppm; 2.62 A): 3 out of 3 assignments used, quality = 0.89: * HG2 MET 113 + QE MET 113 OK 74 100 - 74 - 3.3=48, 1.8/3727=14...(13) HG3 GLU 90 + QE MET 113 OK 51 96 - 53 - 2941=11, 1.8/2934=8...(24) HG3 PRO 129 + QE MET 113 OK 12 77 - 15 - 9532/10189=2, 3718/3.3=2...(5) Peak 3727 from cnoeabs.peaks (2.75, 1.99, 15.64 ppm; 3.17 A): 1 out of 9 assignments used, quality = 0.95: * HG3 MET 113 + QE MET 113 OK 95 100 - 95 - 3.3=85, 1.8/3726=23...(15) HE2 LYS 76 - QE MET 113 OK 22 89 - 25 - 3.0/9334=3, 3711/3.3=3...(9) HE2 LYS 114 - QE MET 113 OK 18 85 - 21 - 7.0/3729=3, 10211=2...(9) HE3 LYS 76 - QE MET 113 OK 17 72 - 24 - 3.0/9334=3, 1.8/10276=3...(8) HB3 PHE 43 - QE MET 113 lone 10 100 - 10 - 3711/3.3=2, 3703/4.2=1 HB2 ASN 96 - QE MET 113 poor 10 81 - 12 - 1.8/9338=4, 3.5/10249=2 HB3 ASP 40 - QE MET 113 lone 10 98 - 10 - 4.4/3729=2, 3711/3.3=1 HB3 ASP 137 - QE MET 113 lone 7 100 - 7 - HB2 ASN 54 - QE MET 113 lone 5 100 - 5 - Peak 3728 from cnoeabs.peaks (1.99, 1.99, 15.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 113 + QE MET 113 OK 100 100 - 100 Peak 3729 from cnoeabs.peaks (7.38, 1.99, 15.64 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.91: * H LYS 114 + QE MET 113 OK 84 100 - 84 - 3.0/3722=31, 4.7/3724=15...(20) H ARG 49 + QE MET 113 OK 31 100 - 32 - 7402=6, 3696/4.2=5...(9) H ASP 41 + QE MET 113 OK 17 96 - 18 - 3713/3.3=3, 3696/4.2=3...(7) Peak 3730 from cnoeabs.peaks (7.38, 4.00, 58.65 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.0=100 H ARG 49 - HA LYS 114 OK 42 100 - 42 - 3754/3.0=7, 3742/3.0=7...(12) H ASP 41 - HA LYS 114 OK 34 96 - 35 - 3742/3.0=5, 3754/3.0=5...(14) H LYS 114 - HA GLU 122 OK 12 71 - 17 - 7403=2, 4.9/3734=1...(5) H ARG 49 - HA GLU 122 lone 3 70 - 5 - H ASP 41 - HA GLU 122 lone 2 65 - 3 - Peak 3731 from cnoeabs.peaks (4.00, 4.00, 58.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 114 + HA LYS 114 OK 100 100 - 100 HA GLU 122 + HA GLU 122 OK 71 71 - 100 Peak 3732 from cnoeabs.peaks (1.65, 4.00, 58.65 ppm; 3.05 A): 1 out of 24 assignments used, quality = 1.00: * HB2 LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.0=100 HD3 LYS 93 - HA LYS 114 OK 34 100 - 34 - 3.0/3736=4, 3756/3.0=4...(15) HB2 PRO 57 - HA LYS 114 OK 24 100 - 25 - 3756/3.0=3, 3767/3.6=2...(13) HD2 LYS 48 - HA LYS 114 OK 16 62 - 25 - 3.0/3733=3, 3756/3.0=2...(9) HB2 LYS 114 - HA GLU 122 OK 12 71 - 16 - 3743=3, 2.9/3734=2...(6) HG2 ARG 124 - HA LYS 114 OK 11 77 - 14 - 3756/3.0=2, 3767/3.6=2...(5) HG13 ILE 136 - HA LYS 114 OK 10 100 - 10 - 3756/3.0=1 HG2 ARG 140 - HA LYS 114 OK 10 99 - 10 - 3756/3.0=1 HB3 LEU 26 - HA LYS 114 poor 9 62 - 14 - 3756/3.0=2, ~246=2...(4) HB2 PRO 57 - HA GLU 122 lone 7 71 - 10 - 1517/3.0=1 HD3 LYS 93 - HA GLU 122 lone 4 71 - 5 - HG13 ILE 136 - HA GLU 122 lone 3 69 - 4 - HB VAL 71 - HA LYS 114 lone 3 62 - 5 - HB2 LEU 95 - HA GLU 122 lone 3 37 - 7 - ~9460=4 HB2 MET 68 - HA LYS 114 lone 2 81 - 3 - HB3 LEU 26 - HA GLU 122 lone 2 37 - 6 - HB2 LEU 95 - HA LYS 114 lone 2 62 - 3 - HB2 MET 68 - HA GLU 122 lone 1 51 - 3 - 4.4/6690=2 HG2 ARG 89 - HA LYS 114 lone 1 62 - 2 - HG2 ARG 140 - HA GLU 122 lone 1 68 - 2 - HB VAL 71 - HA GLU 122 lone 1 37 - 2 - HG2 ARG 124 - HA GLU 122 lone 1 47 - 1 - HG2 ARG 89 - HA GLU 122 lone 1 37 - 1 - HD2 LYS 48 - HA GLU 122 lone 0 37 - 1 - Peak 3733 from cnoeabs.peaks (1.44, 4.00, 58.65 ppm; 3.09 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.0=100 HG12 ILE 91 - HA LYS 114 OK 35 68 - 53 - 1.8/3735=9, 3.2/8975=6...(23) HG2 LYS 48 - HA LYS 114 OK 31 89 - 35 - 3745/3.0=4, 7405/3.0=3...(17) HB3 LYS 123 - HA GLU 122 OK 19 47 - 41 - 7531/3.6=7, ~7513=4...(19) HB3 LEU 66 - HA LYS 114 OK 15 77 - 19 - 3745/3.0=2, 7421/3.6=2...(5) HB3 LYS 114 - HA GLU 122 OK 12 71 - 17 - 3755=3, 2.9/3734=2...(6) HB3 LYS 123 - HA LYS 114 OK 11 77 - 14 - 3745/3.0=1, ~4109=1...(4) HG12 ILE 91 - HA GLU 122 lone 4 41 - 10 - 3.2/8975=2, ~11606=2...(4) HB3 LEU 66 - HA GLU 122 lone 4 47 - 8 - 7531/3.6=2 HG2 LYS 48 - HA GLU 122 lone 1 57 - 2 - Peak 3734 from cnoeabs.peaks (0.45, 4.00, 58.65 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.6=100 HG2 LYS 114 - HA GLU 122 OK 13 71 - 18 - 3766=4, 1.8/3777=3...(8) Peak 3735 from cnoeabs.peaks (1.05, 4.00, 58.65 ppm; 3.26 A): 2 out of 6 assignments used, quality = 0.98: * HG3 LYS 114 + HA LYS 114 OK 95 100 - 95 - 3.6=72, 2.9/3737=14...(33) HG13 ILE 91 + HA LYS 114 OK 59 98 - 60 - 3747/3.0=8, 3759/3.0=8...(23) QG2 VAL 53 - HA LYS 114 OK 42 100 - 42 - 10450/3.0=17, 7423/3.6=6...(10) HG3 LYS 114 - HA GLU 122 OK 12 71 - 16 - 1.8/3734=4, 3777=3...(6) HG13 ILE 91 - HA GLU 122 poor 8 67 - 12 - 3.2/8975=2, ~11606=2...(4) QG2 VAL 53 - HA GLU 122 lone 2 71 - 3 - Peak 3736 from cnoeabs.peaks (1.41, 4.00, 58.65 ppm; 3.24 A): 2 out of 12 assignments used, quality = 0.94: * HD2 LYS 114 + HA LYS 114 OK 91 100 - 91 - 4.8=31, 1.8/3737=19...(35) HG LEU 116 + HA LYS 114 OK 32 98 - 32 - ~10231=4, 3760/3.0=4...(11) HG3 LYS 93 - HA LYS 114 OK 30 94 - 32 - 3748/3.0=5, 3760/3.0=4...(11) HG2 LYS 24 - HA LYS 114 OK 24 99 - 24 - ~11345=4, 10906/4.8=3...(8) HB2 ARG 35 - HA LYS 114 OK 22 100 - 22 - 3760/3.0=3, 3748/3.0=3...(9) HG2 LYS 36 - HA LYS 114 OK 12 99 - 12 - 4.6/10198=2, 3760/3.0=2...(4) HD2 LYS 114 - HA GLU 122 OK 10 71 - 14 - 2.9/3734=3, 1.8/3737=2...(7) HG3 LYS 93 - HA GLU 122 lone 4 62 - 7 - HG2 LYS 36 - HA GLU 122 lone 2 68 - 3 - HG LEU 116 - HA GLU 122 lone 2 67 - 3 - HG2 LYS 24 - HA GLU 122 lone 1 68 - 2 - HB2 ARG 35 - HA GLU 122 lone 1 69 - 2 - Peak 3737 from cnoeabs.peaks (1.49, 4.00, 58.65 ppm; 3.21 A): 2 out of 10 assignments used, quality = 0.93: * HD3 LYS 114 + HA LYS 114 OK 90 100 - 90 - 4.8=30, 3801/3.0=18...(35) HB3 LEU 29 + HA LYS 114 OK 27 98 - 28 - 3761/3.0=5, 3749/3.0=5...(9) HG13 ILE 101 - HA LYS 114 OK 24 100 - 24 - 3761/3.0=4, 3749/3.0=4...(8) HG2 LYS 34 - HA LYS 114 OK 11 94 - 12 - 3761/3.0=2, 3749/3.0=2...(5) HD3 LYS 114 - HA GLU 122 poor 10 71 - 14 - 2.9/3734=3, 3799=2...(7) QB ALA 134 - HA LYS 114 poor 9 72 - 12 - 3749/3.0=2, 3761/3.0=2...(5) HG2 LYS 34 - HA GLU 122 poor 8 62 - 13 - 517/3.0=2, 10967/3.9=1...(4) HG13 ILE 101 - HA GLU 122 lone 4 70 - 5 - 2.1/9179=1 HB3 LEU 29 - HA GLU 122 lone 3 67 - 5 - QB ALA 134 - HA GLU 122 lone 1 44 - 2 - Peak 3738 from cnoeabs.peaks (2.76, 4.00, 58.65 ppm; 3.46 A): 3 out of 18 assignments used, quality = 0.96: * HE2 LYS 114 + HA LYS 114 OK 89 100 - 89 - 6.3=17, 3.0/3737=16...(31) HG3 MET 113 + HA LYS 114 OK 47 85 - 56 - ~7400=7, 1.8/3707=6...(18) HB3 ASP 40 + HA LYS 114 OK 40 98 - 41 - 1.8/3739=7, 4.4/3730=5...(19) HE2 LYS 76 - HA LYS 114 OK 39 100 - 40 - 3813/3.6=6, 3784/3.6=5...(18) HE3 LYS 76 - HA LYS 114 OK 39 100 - 39 - 3813/3.6=6, 3784/3.6=4...(19) HB2 ASP 41 - HA LYS 114 OK 15 72 - 20 - 3.8/3730=6, ~904=2...(6) HB3 PHE 43 - HA LYS 114 OK 11 72 - 15 - 2.7/10197=11 HE2 LYS 114 - HA GLU 122 poor 10 71 - 13 - 3.7/3734=2, 3.0/3799=2...(7) HB3 ASP 137 - HA LYS 114 poor 9 72 - 12 - 9707/4.8=2, ~9710=1, 3.8/10475=1 HG3 MET 113 - HA GLU 122 poor 7 54 - 13 - 3.3/3723=2, 1.8/3707=2...(5) HB2 ASN 54 - HA LYS 114 lone 6 89 - 7 - 1.8/3739=1 HE2 LYS 76 - HA GLU 122 lone 5 71 - 6 - HE3 LYS 76 - HA GLU 122 lone 4 69 - 6 - HB3 ASP 40 - HA GLU 122 lone 2 67 - 2 - HB3 ASP 137 - HA GLU 122 lone 1 44 - 3 - HB2 ASN 54 - HA GLU 122 lone 1 57 - 2 - HB3 PHE 43 - HA GLU 122 lone 1 44 - 2 - HB2 ASP 41 - HA GLU 122 lone 1 44 - 1 - Peak 3739 from cnoeabs.peaks (2.82, 4.00, 58.65 ppm; 3.77 A): 2 out of 10 assignments used, quality = 0.97: * HE3 LYS 114 + HA LYS 114 OK 95 100 - 95 - 3824/3.6=28, 6.3=22...(37) HB2 ASP 40 + HA LYS 114 OK 46 94 - 49 - 4.4/3730=6, 3785/3.6=6...(20) HB2 ASN 139 - HA LYS 114 OK 44 100 - 45 - 3785/3.6=6, 3774/3.6=6...(14) HE3 LYS 114 - HA GLU 122 OK 11 71 - 16 - 3.7/3734=3, 3.0/3799=2...(8) HB2 ASN 130 - HA LYS 114 OK 11 100 - 11 - 3785/3.6=2, 3796/4.8=2...(6) HB3 ASN 54 - HA LYS 114 lone 7 81 - 9 - HB2 ASN 130 - HA GLU 122 poor 7 69 - 11 - ~10322=2, 4421/3.0=2...(5) HB2 ASN 139 - HA GLU 122 lone 2 69 - 3 - HB2 ASP 40 - HA GLU 122 lone 2 62 - 3 - HB3 ASN 54 - HA GLU 122 lone 1 51 - 2 - Peak 3740 from cnoeabs.peaks (8.12, 4.00, 58.65 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 115 + HA LYS 114 OK 100 100 - 100 - 3.6=100 H LEU 87 + HA LYS 114 OK 49 100 - 49 - 3764/3.0=14, 3752/3.0=12...(10) H TYR 115 - HA GLU 122 poor 9 71 - 13 - 7419=3, 4.6/3743=2...(5) H LEU 87 - HA GLU 122 lone 2 69 - 3 - Peak 3741 from cnoeabs.peaks (4.64, 1.65, 33.25 ppm; 4.21 A): 3 out of 5 assignments used, quality = 0.94: * HA GLN 111 + HB2 LYS 114 OK 64 100 - 64 - 3615/1.8=24, 3613/3.9=17...(12) HA LEU 87 + HB2 LYS 114 OK 61 99 - 62 - 3.0/3752=12, 3753/1.8=10...(16) HA ASN 139 + HB2 LYS 114 OK 58 94 - 61 - 3753/1.8=10, 3.0/10365=6...(21) HG1 THR 110 - HB2 LYS 114 OK 30 100 - 31 - 9340/3.6=5, 3753/1.8=5...(10) HA ASP 32 - HB2 LYS 114 OK 18 100 - 18 - ~8091=4, 7414/4.6=3...(6) Peak 3742 from cnoeabs.peaks (7.38, 1.65, 33.25 ppm; 3.33 A): 3 out of 3 assignments used, quality = 0.96: * H LYS 114 + HB2 LYS 114 OK 88 100 - 88 - 3.9=61, 3754/1.8=17...(19) H ARG 49 + HB2 LYS 114 OK 48 100 - 48 - 3754/1.8=10, 7406/2.9=8...(12) H ASP 41 + HB2 LYS 114 OK 38 96 - 39 - 3754/1.8=7, 3730/3.0=6...(11) Peak 3743 from cnoeabs.peaks (4.00, 1.65, 33.25 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 3.0=100 HA MET 113 - HB2 LYS 114 OK 45 100 - 45 - 3.6/3742=11, 3755/1.8=6...(17) HB2 SER 138 - HB2 LYS 114 OK 39 100 - 39 - 3755/1.8=5, 3777/2.9=5...(15) HB3 SER 138 - HB2 LYS 114 OK 39 100 - 39 - 3755/1.8=5, 3777/2.9=5...(15) HA GLU 122 - HB2 LYS 114 OK 19 100 - 19 - 3734/2.9=3, 3755/1.8=2...(7) HA LEU 69 - HB2 LYS 114 OK 13 100 - 13 - 3755/1.8=2, 3777/2.9=1...(5) HB3 SER 127 - HB2 LYS 114 lone 4 81 - 5 - HB3 SER 100 - HB2 LYS 114 lone 2 72 - 2 - HB2 SER 103 - HB2 LYS 114 lone 1 72 - 2 - Peak 3744 from cnoeabs.peaks (1.65, 1.65, 33.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 Peak 3745 from cnoeabs.peaks (1.44, 1.65, 33.25 ppm; 2.85 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 1.8=100 HG12 ILE 91 - HB2 LYS 114 OK 39 68 - 58 - 1.8/3747=8, ~3759=5...(30) HG2 LYS 48 - HB2 LYS 114 OK 27 89 - 31 - 3768/2.9=3, 3779/2.9=3...(10) HB3 LEU 66 - HB2 LYS 114 OK 18 77 - 23 - 3779/2.9=2, ~9862=2...(14) HB3 LYS 123 - HB2 LYS 114 OK 10 77 - 13 - ~4109=2, ~4097=1...(5) Peak 3746 from cnoeabs.peaks (0.45, 1.65, 33.25 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 2.9=100 Peak 3747 from cnoeabs.peaks (1.05, 1.65, 33.25 ppm; 3.49 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HB2 LYS 114 OK 80 98 - 82 - 3759/1.8=12, 3770/2.9=11...(37) QG2 VAL 53 + HB2 LYS 114 OK 52 100 - 52 - 10450/3.9=16, 3759/1.8=8...(14) Peak 3748 from cnoeabs.peaks (1.41, 1.65, 33.25 ppm; 3.07 A): 1 out of 6 assignments used, quality = 0.95: * HD2 LYS 114 + HB2 LYS 114 OK 95 100 - 95 - 3.6=63, 3790/1.8=23...(38) HG3 LYS 93 - HB2 LYS 114 OK 41 94 - 43 - 3760/1.8=5, 3063=4...(16) HG LEU 116 - HB2 LYS 114 OK 38 98 - 38 - 2.1/10231=7, 3760/1.8=5...(14) HB2 ARG 35 - HB2 LYS 114 OK 28 100 - 28 - 3760/1.8=4, 3771/2.9=4...(12) HG2 LYS 24 - HB2 LYS 114 OK 25 99 - 26 - 10906/3.6=5, 3760/1.8=4...(8) HG2 LYS 36 - HB2 LYS 114 OK 11 99 - 11 - 3760/1.8=2, 3771/2.9=2...(4) Peak 3749 from cnoeabs.peaks (1.49, 1.65, 33.25 ppm; 3.25 A): 1 out of 5 assignments used, quality = 0.97: * HD3 LYS 114 + HB2 LYS 114 OK 97 100 - 97 - 3.6=74, 3801/1.8=26...(38) HB3 LEU 29 - HB2 LYS 114 OK 37 98 - 38 - 3761/1.8=7, 3783/2.9=6...(11) HG13 ILE 101 - HB2 LYS 114 OK 30 100 - 30 - 3761/1.8=6, 3772/2.9=4...(10) HG2 LYS 34 - HB2 LYS 114 OK 15 94 - 16 - 3761/1.8=3, 3772/2.9=2...(5) QB ALA 134 - HB2 LYS 114 OK 13 72 - 17 - 3761/1.8=3, 3772/2.9=2...(7) Peak 3750 from cnoeabs.peaks (2.76, 1.65, 33.25 ppm; 4.80 A): 5 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 4.9=95, ~3824=32...(36) HE2 LYS 76 + HB2 LYS 114 OK 80 100 - 80 - 3813/2.9=12, 3784/2.9=9...(27) HE3 LYS 76 + HB2 LYS 114 OK 79 100 - 79 - 3813/2.9=12, 3784/2.9=9...(27) HB3 ASP 40 + HB2 LYS 114 OK 69 98 - 71 - 1.8/3751=9, 4.4/3742=7...(18) HG3 MET 113 + HB2 LYS 114 OK 48 85 - 56 - 3715/3.0=7, 3.7/3743=7...(20) HB2 ASP 41 - HB2 LYS 114 OK 19 72 - 25 - 3.8/3742=8, 898/3.9=3...(9) HB3 ASP 137 - HB2 LYS 114 OK 18 72 - 24 - 9707/3.6=5, ~9710=3...(9) HB3 PHE 43 - HB2 LYS 114 OK 14 72 - 20 - ~10197=11, ~10828=2...(4) HB2 ASN 54 - HB2 LYS 114 OK 13 89 - 14 - ~3763=1, ~3774=1...(6) Peak 3751 from cnoeabs.peaks (2.82, 1.65, 33.25 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 4.9=100 HB2 ASN 139 + HB2 LYS 114 OK 83 100 - 83 - 3.0/3741=20, ~3753=18...(17) HB2 ASP 40 + HB2 LYS 114 OK 78 94 - 83 - 3763/1.8=14, 3774/2.9=13...(19) HB2 ASN 130 - HB2 LYS 114 OK 27 100 - 27 - 3763/1.8=5, 3796/3.6=4...(8) HB3 ASN 54 - HB2 LYS 114 OK 18 81 - 21 - 3763/1.8=3, 3774/2.9=2...(11) Peak 3752 from cnoeabs.peaks (8.12, 1.65, 33.25 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.95: * H TYR 115 + HB2 LYS 114 OK 89 100 - 89 - 4.6=60, 7422/2.9=26...(13) H LEU 87 + HB2 LYS 114 OK 50 100 - 51 - 3764/1.8=15...(11) Peak 3753 from cnoeabs.peaks (4.64, 1.44, 33.25 ppm; 4.19 A): 3 out of 5 assignments used, quality = 0.95: * HA GLN 111 + HB3 LYS 114 OK 66 100 - 66 - 3615=28, 3613/3.9=16...(11) HA LEU 87 + HB3 LYS 114 OK 65 99 - 65 - 3.0/3764=14, 3741/1.8=10...(18) HA ASN 139 + HB3 LYS 114 OK 60 94 - 64 - 3741/1.8=9, 3753=8...(21) HG1 THR 110 - HB3 LYS 114 OK 30 100 - 30 - 9340/3.6=5, 3741/1.8=5...(10) HA ASP 32 - HB3 LYS 114 OK 17 100 - 17 - 7414/4.6=3, 3.0/8091=3...(6) Peak 3754 from cnoeabs.peaks (7.38, 1.44, 33.25 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.95: * H LYS 114 + HB3 LYS 114 OK 90 100 - 90 - 3.9=64, 3742/1.8=19...(20) H ARG 49 + HB3 LYS 114 OK 52 100 - 52 - 3742/1.8=10, 7405=9...(17) H ASP 41 - HB3 LYS 114 OK 38 96 - 40 - 3742/1.8=8, 3730/3.0=7...(10) Peak 3755 from cnoeabs.peaks (4.00, 1.44, 33.25 ppm; 3.45 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 3.0=100 HA MET 113 + HB3 LYS 114 OK 51 100 - 51 - 3.6/3754=11, 3755=7...(19) HB2 SER 138 + HB3 LYS 114 OK 48 100 - 48 - 3755=7, 3743/1.8=6...(17) HB3 SER 138 + HB3 LYS 114 OK 48 100 - 48 - 3755=7, 3743/1.8=6...(17) HA GLU 122 - HB3 LYS 114 OK 22 100 - 21 - 3734/2.9=3, 3743/1.8=3...(7) HA LEU 69 - HB3 LYS 114 OK 15 100 - 15 - 3743/1.8=2, 3755=2...(5) HB3 SER 127 - HB3 LYS 114 lone 5 81 - 6 - HB3 SER 100 - HB3 LYS 114 lone 2 72 - 3 - HB2 SER 103 - HB3 LYS 114 lone 2 72 - 2 - Peak 3756 from cnoeabs.peaks (1.65, 1.44, 33.25 ppm; 2.95 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 1.8=100 HD3 LYS 93 - HB3 LYS 114 OK 43 100 - 43 - 3.0/3760=5, 3778/2.9=4...(20) HB2 PRO 57 - HB3 LYS 114 OK 33 100 - 33 - 3756=4, ~8266=3...(18) HD2 LYS 48 - HB3 LYS 114 OK 17 62 - 28 - 3756=3, 3.0/1187=2...(14) HG2 ARG 124 - HB3 LYS 114 OK 15 77 - 20 - 3756=3, 3767/2.9=2...(6) HG2 ARG 140 - HB3 LYS 114 OK 12 99 - 12 - 3756=2, 3732/3.0=1 HB3 LEU 26 - HB3 LYS 114 OK 12 62 - 19 - 3756=3, ~246=2, ~238=1...(9) HG13 ILE 136 - HB3 LYS 114 OK 11 100 - 11 - HB VAL 71 - HB3 LYS 114 lone 2 62 - 4 - HB2 LEU 95 - HB3 LYS 114 lone 2 62 - 3 - HB2 MET 68 - HB3 LYS 114 lone 2 81 - 2 - HG2 ARG 89 - HB3 LYS 114 lone 2 62 - 3 - Peak 3757 from cnoeabs.peaks (1.44, 1.44, 33.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 Peak 3758 from cnoeabs.peaks (0.45, 1.44, 33.25 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 2.9=100 Peak 3759 from cnoeabs.peaks (1.05, 1.44, 33.25 ppm; 3.67 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HB3 LYS 114 OK 85 98 - 87 - 3747/1.8=14, 3770/2.9=12...(38) QG2 VAL 53 + HB3 LYS 114 OK 57 100 - 57 - 10450/3.9=18, 3747/1.8=9...(14) Peak 3760 from cnoeabs.peaks (1.41, 1.44, 33.25 ppm; 3.07 A): 1 out of 6 assignments used, quality = 0.95: * HD2 LYS 114 + HB3 LYS 114 OK 95 100 - 95 - 3.6=63, 1.8/3801=25...(42) HG LEU 116 - HB3 LYS 114 OK 38 98 - 39 - 2.1/10690=6, ~10231=6...(14) HG3 LYS 93 - HB3 LYS 114 OK 38 94 - 41 - 3748/1.8=6, 3.0/3756=4...(14) HB2 ARG 35 - HB3 LYS 114 OK 30 100 - 30 - 3748/1.8=4, 3771/2.9=4...(13) HG2 LYS 24 - HB3 LYS 114 OK 28 99 - 28 - 4.0/11320=6, 10906/3.6=5...(9) HG2 LYS 36 - HB3 LYS 114 OK 14 99 - 14 - 4.6/10202=3, 3771/2.9=2...(5) Peak 3761 from cnoeabs.peaks (1.49, 1.44, 33.25 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.98: * HD3 LYS 114 + HB3 LYS 114 OK 98 100 - 98 - 3.6=79, 1.8/3790=25...(44) HB3 LEU 29 - HB3 LYS 114 OK 42 98 - 43 - 3761=9, 3749/1.8=7...(12) HG13 ILE 101 - HB3 LYS 114 OK 36 100 - 36 - 3761=8, 3749/1.8=6...(11) HG2 LYS 34 - HB3 LYS 114 OK 17 94 - 18 - 3749/1.8=3, 3772/2.9=2...(6) QB ALA 134 - HB3 LYS 114 OK 14 72 - 19 - 3761=4, 3749/1.8=3...(8) Peak 3762 from cnoeabs.peaks (2.76, 1.44, 33.25 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 4.9=100 HE2 LYS 76 + HB3 LYS 114 OK 91 100 - 91 - ~8664=14, 3813/2.9=13...(30) HE3 LYS 76 + HB3 LYS 114 OK 91 100 - 91 - ~8664=14, ~3813=13...(30) HB3 ASP 40 + HB3 LYS 114 OK 84 98 - 86 - 1.8/3763=14, ~3751=12...(19) HG3 MET 113 + HB3 LYS 114 OK 63 85 - 73 - ~3707=11, ~3707=11...(20) HB3 PHE 43 - HB3 LYS 114 OK 24 72 - 33 - ~10197=21, ~10828=3...(5) HB2 ASP 41 - HB3 LYS 114 OK 24 72 - 33 - 3.8/3754=11, 898/3.9=4...(9) HB3 ASP 137 - HB3 LYS 114 OK 23 72 - 31 - 9707/3.6=8, 3750/1.8=3...(12) HB2 ASN 54 - HB3 LYS 114 OK 20 89 - 22 - 1.8/3763=3, ~3751=2...(11) Peak 3763 from cnoeabs.peaks (2.82, 1.44, 33.25 ppm; 5.90 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 4.9=100 HB2 ASN 139 + HB3 LYS 114 OK 79 100 - 79 - 3.0/3753=19...(15) HB2 ASP 40 + HB3 LYS 114 OK 78 94 - 82 - 3763=14, 3751/1.8=13...(20) HB2 ASN 130 - HB3 LYS 114 OK 29 100 - 28 - 3763=5, 3796/3.6=4...(8) HB3 ASN 54 - HB3 LYS 114 OK 15 81 - 18 - 3774/2.9=2, 3785/2.9=2...(11) Peak 3764 from cnoeabs.peaks (8.12, 1.44, 33.25 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.94: * H TYR 115 + HB3 LYS 114 OK 87 100 - 87 - 4.6=56, 7422/2.9=25...(14) H LEU 87 + HB3 LYS 114 OK 58 100 - 59 - 3752/1.8=13, 3764=11...(17) Peak 3765 from cnoeabs.peaks (7.38, 0.45, 24.49 ppm; 4.32 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 114 + HG2 LYS 114 OK 98 100 - 98 - 4.9=69, 4.6/7422=22...(26) H ARG 49 + HG2 LYS 114 OK 66 100 - 66 - 7406=19, 3776/1.8=12...(12) H ASP 41 + HG2 LYS 114 OK 58 96 - 60 - 3776/1.8=11, 3820/3.7=11...(12) Peak 3766 from cnoeabs.peaks (4.00, 0.45, 24.49 ppm; 3.66 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 3.6=100 HB2 SER 138 + HG2 LYS 114 OK 52 100 - 53 - 3777/1.8=7, 3799/2.9=5...(19) HB3 SER 138 + HG2 LYS 114 OK 52 100 - 52 - 3777/1.8=7, 3799/2.9=5...(19) HA MET 113 + HG2 LYS 114 OK 45 100 - 45 - 3.6/7406=13, 3777/1.8=6...(12) HA GLU 122 - HG2 LYS 114 OK 21 100 - 21 - 3734=6, 3777/1.8=3...(8) HA LEU 69 - HG2 LYS 114 OK 14 100 - 14 - 3777/1.8=2, 6753/8578=2...(6) HB3 SER 127 - HG2 LYS 114 lone 5 81 - 5 - HB3 SER 100 - HG2 LYS 114 lone 2 72 - 2 - HB2 SER 103 - HG2 LYS 114 lone 1 72 - 2 - Peak 3767 from cnoeabs.peaks (1.65, 0.45, 24.49 ppm; 3.56 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HD3 LYS 93 + HG2 LYS 114 OK 60 100 - 60 - 3778/1.8=8, 3.0/3771=7...(28) HB2 PRO 57 - HG2 LYS 114 OK 40 100 - 40 - ~8266=6, 3778/1.8=5...(18) HG2 ARG 124 - HG2 LYS 114 OK 24 77 - 32 - ~10679=5, ~10678=5...(10) HD2 LYS 48 - HG2 LYS 114 OK 22 62 - 35 - 3.0/3768=4, 3778/1.8=3...(16) HG2 ARG 140 - HG2 LYS 114 OK 14 99 - 14 - 3778/1.8=2, 3756/2.9=2...(6) HB3 LEU 26 - HG2 LYS 114 OK 14 62 - 22 - 3778/1.8=3, ~246=2...(10) HG13 ILE 136 - HG2 LYS 114 OK 13 100 - 13 - 3778/1.8=2, 3789/2.9=2...(5) HB VAL 71 - HG2 LYS 114 lone 3 62 - 5 - HB2 MET 68 - HG2 LYS 114 lone 3 81 - 3 - HB2 LEU 95 - HG2 LYS 114 lone 2 62 - 4 - HG2 ARG 89 - HG2 LYS 114 lone 2 62 - 2 - Peak 3768 from cnoeabs.peaks (1.44, 0.45, 24.49 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HG12 ILE 91 - HG2 LYS 114 OK 45 68 - 66 - 1.8/3770=13, 3779/1.8=8...(28) HG2 LYS 48 - HG2 LYS 114 OK 28 89 - 32 - 3779/1.8=5, 3745/2.9=4...(11) HB3 LEU 66 - HG2 LYS 114 OK 21 77 - 27 - ~9862=5, 3779/1.8=4...(10) HB3 LYS 123 - HG2 LYS 114 poor 10 77 - 12 - 3779/1.8=2, 3745/2.9=1, ~4109=1 Peak 3769 from cnoeabs.peaks (0.45, 0.45, 24.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 Peak 3770 from cnoeabs.peaks (1.05, 0.45, 24.49 ppm; 2.57 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 1.8=100 HG13 ILE 91 + HG2 LYS 114 OK 58 98 - 60 - 1.8/3771=6, 3792/2.9=6...(33) QG2 VAL 53 - HG2 LYS 114 OK 29 100 - 29 - 10450/4.9=6, 3747/2.9=3...(14) Peak 3771 from cnoeabs.peaks (1.41, 0.45, 24.49 ppm; 3.01 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HG3 LYS 93 - HG2 LYS 114 OK 41 94 - 43 - 3782/1.8=5, 3804/2.9=4...(18) HG LEU 116 - HG2 LYS 114 OK 40 98 - 41 - 3782/1.8=6, 3760/2.9=4...(20) HB2 ARG 35 - HG2 LYS 114 OK 38 100 - 38 - 4.3/10263=9, 3782/1.8=4...(15) HG2 LYS 24 - HG2 LYS 114 OK 27 99 - 28 - 10906/2.9=6, 3782/1.8=4...(10) HG2 LYS 36 - HG2 LYS 114 OK 17 99 - 17 - 4.6/10263=8, 3782/1.8=1...(4) Peak 3772 from cnoeabs.peaks (1.49, 0.45, 24.49 ppm; 3.22 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HB3 LEU 29 - HG2 LYS 114 OK 44 98 - 45 - 3783/1.8=8, 3794/2.9=6...(22) HG13 ILE 101 - HG2 LYS 114 OK 33 100 - 33 - 3783/1.8=6, 3794/2.9=5...(13) HG2 LYS 34 - HG2 LYS 114 OK 17 94 - 18 - 3783/1.8=3, 3794/2.9=2...(6) QB ALA 134 - HG2 LYS 114 OK 13 72 - 18 - 3783/1.8=3, 3794/2.9=2...(7) Peak 3773 from cnoeabs.peaks (2.76, 0.45, 24.49 ppm; 3.73 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 3.7=100 HE2 LYS 76 + HG2 LYS 114 OK 73 100 - 73 - 3813=13, 1.8/3813=11...(28) HE3 LYS 76 + HG2 LYS 114 OK 72 100 - 72 - 3813=13, 1.8/3813=12...(28) HB3 ASP 40 + HG2 LYS 114 OK 59 98 - 60 - 1.8/3774=8, 3784/1.8=6...(21) HG3 MET 113 - HG2 LYS 114 OK 18 85 - 21 - 3715/3.6=4, 3.7/3766=4...(8) HB2 ASP 41 - HG2 LYS 114 OK 12 72 - 17 - 3.8/3765=5, 3738/3.6=2...(8) HB3 ASP 137 - HG2 LYS 114 OK 11 72 - 15 - 9707/2.9=4, 3784/1.8=2...(5) HB2 ASN 54 - HG2 LYS 114 lone 9 89 - 10 - 1.8/3774=1 HB3 PHE 43 - HG2 LYS 114 lone 5 72 - 6 - ~10828=1 Peak 3774 from cnoeabs.peaks (2.82, 0.45, 24.49 ppm; 3.96 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 3.7=100 HB2 ASN 139 + HG2 LYS 114 OK 58 100 - 58 - ~9339=9, 3785/1.8=9...(16) HB2 ASP 40 + HG2 LYS 114 OK 58 94 - 61 - 3785/1.8=10, 3796/2.9=9...(19) HB2 ASN 130 - HG2 LYS 114 OK 15 100 - 15 - 3796/2.9=3, 3807/2.9=3...(7) HB3 ASN 54 - HG2 LYS 114 poor 9 81 - 11 - 3785/1.8=1, 3807/2.9=1...(4) Peak 3776 from cnoeabs.peaks (7.38, 1.05, 24.49 ppm; 4.05 A): 3 out of 3 assignments used, quality = 0.99: * H LYS 114 + HG3 LYS 114 OK 95 100 - 95 - 4.9=57, 7406/1.8=24...(22) H ARG 49 + HG3 LYS 114 OK 60 100 - 61 - 7406/1.8=15, 3754/2.9=10...(12) H ASP 41 + HG3 LYS 114 OK 53 96 - 55 - 3820/3.7=9, 3765/1.8=9...(11) Peak 3777 from cnoeabs.peaks (4.00, 1.05, 24.49 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.97: * HA LYS 114 + HG3 LYS 114 OK 95 100 - 95 - 3.6=73, 3737/2.9=14...(33) HB2 SER 138 + HG3 LYS 114 OK 44 100 - 44 - 3766/1.8=5, 3799/2.9=4...(19) HB3 SER 138 - HG3 LYS 114 OK 44 100 - 44 - 3766/1.8=5, 3799/2.9=4...(19) HA MET 113 - HG3 LYS 114 OK 37 100 - 37 - 3.6/3776=8, 3766/1.8=5...(11) HA GLU 122 - HG3 LYS 114 OK 16 100 - 16 - 3734/1.8=4, 3735=3...(6) HA LEU 69 - HG3 LYS 114 OK 11 100 - 11 - 3766/1.8=1, 3743/2.9=1 HB3 SER 127 - HG3 LYS 114 lone 3 81 - 4 - HB3 SER 100 - HG3 LYS 114 lone 1 72 - 2 - HB2 SER 103 - HG3 LYS 114 lone 1 72 - 1 - Peak 3778 from cnoeabs.peaks (1.65, 1.05, 24.49 ppm; 3.40 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HD3 LYS 93 + HG3 LYS 114 OK 56 100 - 56 - 3767/1.8=7, 3.0/3782=7...(24) HB2 PRO 57 - HG3 LYS 114 OK 35 100 - 35 - 1.8/8266=5, 3767/1.8=4...(16) HG2 ARG 124 - HG3 LYS 114 OK 21 77 - 27 - ~10679=4, ~10678=4...(9) HD2 LYS 48 - HG3 LYS 114 OK 20 62 - 32 - 3.0/3779=4, 3767/1.8=3...(12) HG2 ARG 140 - HG3 LYS 114 OK 13 99 - 13 - 3767/1.8=2, 3756/2.9=2...(6) HB3 LEU 26 - HG3 LYS 114 OK 13 62 - 21 - 3767/1.8=2, ~246=2...(10) HG13 ILE 136 - HG3 LYS 114 OK 13 100 - 13 - 3789/2.9=2, 3767/1.8=1...(4) HB VAL 71 - HG3 LYS 114 lone 3 62 - 4 - HB2 LEU 95 - HG3 LYS 114 lone 2 62 - 4 - HB2 MET 68 - HG3 LYS 114 lone 2 81 - 3 - HG2 ARG 89 - HG3 LYS 114 lone 2 62 - 2 - Peak 3779 from cnoeabs.peaks (1.44, 1.05, 24.49 ppm; 2.97 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HG12 ILE 91 + HG3 LYS 114 OK 46 68 - 68 - 2.1/2991=8, 3768/1.8=7...(28) HG2 LYS 48 - HG3 LYS 114 OK 27 89 - 31 - 3768/1.8=5, 3745/2.9=3...(10) HB3 LEU 66 - HG3 LYS 114 OK 23 77 - 30 - 3.1/9862=9, 4.4/11233=5...(8) HB3 LYS 123 - HG3 LYS 114 poor 10 77 - 13 - 3768/1.8=2, 3745/2.9=1, ~4109=1 Peak 3780 from cnoeabs.peaks (0.45, 1.05, 24.49 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 1.8=100 Peak 3781 from cnoeabs.peaks (1.05, 1.05, 24.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 Peak 3782 from cnoeabs.peaks (1.41, 1.05, 24.49 ppm; 3.01 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HG LEU 116 + HG3 LYS 114 OK 45 98 - 46 - 2.1/3896=6, 2.1/3888=5...(22) HG3 LYS 93 - HG3 LYS 114 OK 41 94 - 44 - 3771/1.8=5, 3804/2.9=4...(18) HB2 ARG 35 - HG3 LYS 114 OK 34 100 - 34 - 3771/1.8=5, 1.8/606=3...(15) HG2 LYS 24 - HG3 LYS 114 OK 28 99 - 28 - 10906/2.9=6, 3771/1.8=4...(10) HG2 LYS 36 - HG3 LYS 114 OK 11 99 - 11 - 3771/1.8=2, 3760/2.9=1 Peak 3783 from cnoeabs.peaks (1.49, 1.05, 24.49 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HB3 LEU 29 - HG3 LYS 114 OK 41 98 - 42 - 3772/1.8=7, 3794/2.9=6...(21) HG13 ILE 101 - HG3 LYS 114 OK 30 100 - 30 - 3772/1.8=5, 3794/2.9=4...(13) HG2 LYS 34 - HG3 LYS 114 OK 16 94 - 17 - 3772/1.8=3, 3794/2.9=2...(6) QB ALA 134 - HG3 LYS 114 OK 12 72 - 16 - 3772/1.8=3, 3794/2.9=2...(7) Peak 3784 from cnoeabs.peaks (2.76, 1.05, 24.49 ppm; 3.44 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HG3 LYS 114 OK 98 100 - 98 - 3.7=82, ~3824=24...(32) HE2 LYS 76 + HG3 LYS 114 OK 68 100 - 68 - 3813/1.8=10, 3814=7...(29) HE3 LYS 76 + HG3 LYS 114 OK 67 100 - 67 - 3813/1.8=10, 3814=7...(29) HB3 ASP 40 + HG3 LYS 114 OK 53 98 - 54 - 1.8/3785=8, 3773/1.8=5...(21) HG3 MET 113 - HG3 LYS 114 OK 17 85 - 19 - 3715/3.6=3, 3.7/3777=3...(9) HB2 ASP 41 - HG3 LYS 114 OK 11 72 - 15 - 3.8/3776=5, 3738/3.6=1...(7) HB3 ASP 137 - HG3 LYS 114 poor 9 72 - 13 - 9707/2.9=3, 3773/1.8=1...(5) HB2 ASN 54 - HG3 LYS 114 lone 8 89 - 8 - 1.8/3785=1 HB3 PHE 43 - HG3 LYS 114 lone 5 72 - 7 - 3.0/10828=1 Peak 3785 from cnoeabs.peaks (2.82, 1.05, 24.49 ppm; 3.94 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 3.7=100 HB2 ASN 139 + HG3 LYS 114 OK 58 100 - 59 - ~9339=9, 3774/1.8=9...(16) HB2 ASP 40 + HG3 LYS 114 OK 57 94 - 61 - 3796/2.9=9, 3774/1.8=9...(19) HB2 ASN 130 - HG3 LYS 114 OK 16 100 - 16 - 3796/2.9=3, 3807/2.9=3...(7) HB3 ASN 54 - HG3 LYS 114 poor 9 81 - 11 - 3774/1.8=1, 3807/2.9=1...(4) Peak 3787 from cnoeabs.peaks (7.38, 1.41, 29.25 ppm; 4.49 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 114 + HD2 LYS 114 OK 98 100 - 98 - 5.9=45, 3.0/3736=23...(33) H ASP 41 + HD2 LYS 114 OK 62 96 - 65 - 3820/3.0=13, 3798/1.8=10...(14) H ARG 49 + HD2 LYS 114 OK 62 100 - 62 - 7406/2.9=14, 3754/3.6=11...(13) Peak 3788 from cnoeabs.peaks (4.00, 1.41, 29.25 ppm; 4.09 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HD2 LYS 114 OK 99 100 - 99 - 4.8=62, 3737/1.8=26...(38) HB2 SER 138 + HD2 LYS 114 OK 69 100 - 69 - 3788=9, 3799/1.8=8...(25) HB3 SER 138 + HD2 LYS 114 OK 69 100 - 69 - 3788=9, 3799/1.8=8...(25) HA MET 113 + HD2 LYS 114 OK 64 100 - 65 - 4.9/9300=13, 3.6/3787=10...(20) HA GLU 122 - HD2 LYS 114 OK 22 100 - 22 - 3734/2.9=4, 3799/1.8=3...(9) HA LEU 69 - HD2 LYS 114 OK 18 100 - 17 - 3788=2, 3799/1.8=2...(7) HB3 SER 127 - HD2 LYS 114 lone 6 81 - 7 - HB3 SER 100 - HD2 LYS 114 lone 3 72 - 3 - HB2 SER 103 - HD2 LYS 114 lone 2 72 - 3 - Peak 3789 from cnoeabs.peaks (1.65, 1.41, 29.25 ppm; 3.33 A): 2 out of 12 assignments used, quality = 0.99: * HB2 LYS 114 + HD2 LYS 114 OK 98 100 - 98 - 3.6=79, 1.8/3790=25...(42) HD3 LYS 93 + HD2 LYS 114 OK 55 100 - 56 - 1.8/3072=6, 3778/2.9=5...(22) HB2 PRO 57 - HD2 LYS 114 OK 30 100 - 30 - 3789=5, ~8266=4...(10) HG2 ARG 124 - HD2 LYS 114 OK 22 77 - 29 - ~10679=6, ~10678=6...(10) HD2 LYS 48 - HD2 LYS 114 OK 18 62 - 29 - 3.0/3790=4, 3789=3...(14) HG13 ILE 136 - HD2 LYS 114 OK 15 100 - 15 - 3822/3.0=1, 3778/2.9=1...(8) HG2 ARG 140 - HD2 LYS 114 OK 13 99 - 13 - 3789=3, 3800/1.8=2...(6) HB3 LEU 26 - HD2 LYS 114 OK 10 62 - 16 - 3789=3, 3800/1.8=2...(7) HB VAL 71 - HD2 LYS 114 lone 3 62 - 4 - HB2 LEU 95 - HD2 LYS 114 lone 2 62 - 4 - HB2 MET 68 - HD2 LYS 114 lone 2 81 - 3 - HG2 ARG 89 - HD2 LYS 114 lone 2 62 - 2 - Peak 3790 from cnoeabs.peaks (1.44, 1.41, 29.25 ppm; 2.50 A): 4 out of 5 assignments used, quality = 0.90: * HB3 LYS 114 + HD2 LYS 114 OK 80 100 - 80 - 3.6=34, 3801/1.8=18...(35) HG12 ILE 91 + HD2 LYS 114 OK 33 68 - 49 - 3790=8, 1.8/3792=7...(21) HG2 LYS 48 + HD2 LYS 114 OK 16 89 - 18 - 3801/1.8=3, 3768/2.9=2...(8) HB3 LEU 66 + HD2 LYS 114 OK 11 77 - 14 - 3790=3, 3.1/9865=2...(7) HB3 LYS 123 - HD2 LYS 114 lone 4 77 - 5 - 3790=1 Peak 3791 from cnoeabs.peaks (0.45, 1.41, 29.25 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 2.9=100 Peak 3792 from cnoeabs.peaks (1.05, 1.41, 29.25 ppm; 3.21 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HD2 LYS 114 OK 77 98 - 78 - 3803/1.8=12, 1.8/3790=10...(37) QG2 VAL 53 - HD2 LYS 114 OK 43 100 - 43 - 10450/5.9=7...(14) Peak 3793 from cnoeabs.peaks (1.41, 1.41, 29.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 114 + HD2 LYS 114 OK 100 100 - 100 Peak 3794 from cnoeabs.peaks (1.49, 1.41, 29.25 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 1.8=100 HB3 LEU 29 - HD2 LYS 114 OK 35 98 - 36 - 3794=9, 3783/2.9=3...(16) HG13 ILE 101 - HD2 LYS 114 OK 26 100 - 26 - 3794=7, 3772/2.9=2...(12) HG2 LYS 34 - HD2 LYS 114 OK 12 94 - 13 - 3794=2, 3783/2.9=1...(4) QB ALA 134 - HD2 LYS 114 OK 11 72 - 14 - 3794=4, 3827/3.0=1...(6) Peak 3795 from cnoeabs.peaks (2.76, 1.41, 29.25 ppm; 3.19 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HD2 LYS 114 OK 68 100 - 68 - 3795=9, 1.8/3795=7...(27) HE3 LYS 76 + HD2 LYS 114 OK 67 100 - 67 - 3795=10, 3806/1.8=7...(27) HB3 ASP 40 + HD2 LYS 114 OK 54 98 - 56 - 1.8/3796=9, 3795=7...(25) HG3 MET 113 - HD2 LYS 114 OK 20 85 - 23 - 3.7/3788=3, 3795=2...(10) HB2 ASP 41 - HD2 LYS 114 OK 13 72 - 18 - 3.8/3787=4, 3795=2...(5) HB3 ASP 137 - HD2 LYS 114 OK 11 72 - 15 - 9707/1.8=3, 3795=2, 4.5/9700=2 HB2 ASN 54 - HD2 LYS 114 lone 7 89 - 7 - 1.8/3796=1 HB3 PHE 43 - HD2 LYS 114 lone 4 72 - 5 - Peak 3796 from cnoeabs.peaks (2.82, 1.41, 29.25 ppm; 3.20 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 3.0=100 HB2 ASP 40 + HD2 LYS 114 OK 55 94 - 58 - 3796=13, 3807/1.8=8...(26) HB2 ASN 139 + HD2 LYS 114 OK 48 100 - 48 - 3.0/9339=11, 3796=10...(16) HB2 ASN 130 - HD2 LYS 114 OK 19 100 - 18 - 3796=4, 3807/1.8=3...(7) HB3 ASN 54 - HD2 LYS 114 lone 6 81 - 8 - 3807/1.8=1 Peak 3798 from cnoeabs.peaks (7.38, 1.49, 29.25 ppm; 4.76 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 114 + HD3 LYS 114 OK 98 100 - 98 - 5.9=53, 3.9/3801=25...(30) H ARG 49 + HD3 LYS 114 OK 66 100 - 66 - 7406/2.9=15, 3787/1.8=12...(11) H ASP 41 + HD3 LYS 114 OK 66 96 - 68 - 3820/3.0=14, 3787/1.8=12...(14) Peak 3799 from cnoeabs.peaks (4.00, 1.49, 29.25 ppm; 3.60 A): 4 out of 9 assignments used, quality = 0.99: * HA LYS 114 + HD3 LYS 114 OK 96 100 - 96 - 4.8=43, 3.0/3801=22...(36) HB2 SER 138 + HD3 LYS 114 OK 53 100 - 53 - 3788/1.8=6, 3777/2.9=5...(23) HB3 SER 138 + HD3 LYS 114 OK 53 100 - 53 - 3788/1.8=6, 3777/2.9=5...(23) HA MET 113 + HD3 LYS 114 OK 46 100 - 46 - 3.6/7409=10, 3788/1.8=5...(15) HA GLU 122 - HD3 LYS 114 OK 18 100 - 18 - 3734/2.9=3, 3737=3...(7) HA LEU 69 - HD3 LYS 114 OK 11 100 - 11 - 3788/1.8=1, 3777/2.9=1...(5) HB3 SER 127 - HD3 LYS 114 lone 4 81 - 5 - HB3 SER 100 - HD3 LYS 114 lone 3 72 - 4 - 4.5/7191=1 HB2 SER 103 - HD3 LYS 114 lone 1 72 - 2 - Peak 3800 from cnoeabs.peaks (1.65, 1.49, 29.25 ppm; 6.80 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 3.6=100 HD3 LYS 93 + HD3 LYS 114 OK 92 100 - 92 - 3822/3.0=11, 3.0/3804=10...(45) HB2 PRO 57 + HD3 LYS 114 OK 62 100 - 62 - ~8266=17, 10585/9341=10...(13) HG2 ARG 124 + HD3 LYS 114 OK 46 77 - 61 - 3.0/10678=23...(10) HG13 ILE 136 - HD3 LYS 114 OK 40 100 - 40 - ~10336=4, ~9676=4...(16) HD2 LYS 48 - HD3 LYS 114 OK 34 62 - 55 - ~3768=6, ~3779=6...(20) HG2 ARG 140 - HD3 LYS 114 OK 28 99 - 28 - 3822/3.0=4, 3756/3.6=3...(12) HB3 LEU 26 - HD3 LYS 114 OK 18 62 - 29 - 3778/2.9=4, 3756/3.6=4...(9) HB VAL 71 - HD3 LYS 114 poor 7 62 - 12 - 10421/9341=2 HB2 MET 68 - HD3 LYS 114 lone 7 81 - 9 - HB2 LEU 95 - HD3 LYS 114 lone 6 62 - 10 - ~9070=1 HG2 ARG 89 - HD3 LYS 114 lone 5 62 - 7 - Peak 3801 from cnoeabs.peaks (1.44, 1.49, 29.25 ppm; 2.50 A): 3 out of 5 assignments used, quality = 0.88: * HB3 LYS 114 + HD3 LYS 114 OK 80 100 - 80 - 3.6=34, 3790/1.8=17...(36) HG12 ILE 91 + HD3 LYS 114 OK 31 68 - 45 - 1.8/3803=7, 3790/1.8=7...(21) HG2 LYS 48 + HD3 LYS 114 OK 13 89 - 15 - 3790/1.8=3, 3768/2.9=2...(5) HB3 LEU 66 - HD3 LYS 114 poor 8 77 - 11 - 3790/1.8=2, 3779/2.9=2...(6) HB3 LYS 123 - HD3 LYS 114 lone 3 77 - 4 - Peak 3802 from cnoeabs.peaks (0.45, 1.49, 29.25 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 2.9=100 Peak 3803 from cnoeabs.peaks (1.05, 1.49, 29.25 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HD3 LYS 114 OK 72 98 - 73 - 3792/1.8=12, 1.8/3801=10...(35) QG2 VAL 53 - HD3 LYS 114 OK 38 100 - 38 - 10450/5.9=7, 3792/1.8=7...(12) Peak 3804 from cnoeabs.peaks (1.41, 1.49, 29.25 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 1.8=100 HG3 LYS 93 - HD3 LYS 114 OK 31 94 - 33 - 3826/3.0=3, 3782/2.9=3...(14) HG LEU 116 - HD3 LYS 114 OK 25 98 - 25 - 3782/2.9=3, 3771/2.9=2...(12) HG2 LYS 24 - HD3 LYS 114 OK 21 99 - 22 - 10906/1.8=7, 3782/2.9=2...(9) HB2 ARG 35 - HD3 LYS 114 OK 20 100 - 20 - 3771/2.9=2, 3782/2.9=2...(9) HG2 LYS 36 - HD3 LYS 114 lone 7 99 - 7 - 3771/2.9=1 Peak 3805 from cnoeabs.peaks (1.49, 1.49, 29.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 114 + HD3 LYS 114 OK 100 100 - 100 Peak 3806 from cnoeabs.peaks (2.76, 1.49, 29.25 ppm; 3.21 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HD3 LYS 114 OK 67 100 - 67 - 3816=7, 3795/1.8=7...(28) HE3 LYS 76 + HD3 LYS 114 OK 66 100 - 66 - 3816=7, 3795/1.8=7...(28) HB3 ASP 40 + HD3 LYS 114 OK 51 98 - 53 - 1.8/3807=8, 3795/1.8=6...(24) HG3 MET 113 - HD3 LYS 114 OK 18 85 - 22 - 3.7/3799=3, 3715/4.8=2...(9) HB2 ASP 41 - HD3 LYS 114 OK 12 72 - 17 - 3.8/3798=3, 3795/1.8=2...(5) HB3 ASP 137 - HD3 LYS 114 OK 12 72 - 16 - 9707=3, 3.8/9694=3...(5) HB2 ASN 54 - HD3 LYS 114 lone 7 89 - 7 - 1.8/3807=1 HB3 PHE 43 - HD3 LYS 114 lone 4 72 - 5 - Peak 3807 from cnoeabs.peaks (2.82, 1.49, 29.25 ppm; 3.25 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 3.0=100 HB2 ASP 40 + HD3 LYS 114 OK 50 94 - 53 - 3796/1.8=9, 1.8/3806=5...(26) HB2 ASN 139 - HD3 LYS 114 OK 42 100 - 43 - ~9339=8, 3796/1.8=7...(16) HB2 ASN 130 - HD3 LYS 114 OK 16 100 - 16 - 3796/1.8=3, 3785/2.9=1...(8) HB3 ASN 54 - HD3 LYS 114 lone 7 81 - 8 - 3796/1.8=1 Peak 3809 from cnoeabs.peaks (7.38, 2.76, 42.01 ppm; 3.77 A): 3 out of 9 assignments used, quality = 0.97: * H LYS 114 + HE2 LYS 114 OK 87 100 - 87 - 3820/1.8=17, 7.0=16...(27) H ASP 41 + HE2 LYS 114 OK 53 96 - 55 - 6295/1.8=12, 6296=10...(15) H ARG 49 + HE2 LYS 114 OK 45 100 - 45 - 7406/3.7=9, 3820/1.8=8...(9) H LYS 114 - HE2 LYS 76 OK 40 90 - 44 - 4.9/3813=5, 7410=4...(20) H LYS 114 - HE3 LYS 76 OK 37 87 - 43 - 4.9/3813=5, 3.0/3738=4...(20) H ARG 49 - HE2 LYS 76 OK 22 90 - 25 - 6465/3.0=5, ~1241=3...(7) H ARG 49 - HE3 LYS 76 OK 21 86 - 24 - 6465/3.0=5, ~1241=3...(7) H ASP 41 - HE2 LYS 76 OK 13 84 - 16 - 6296=2, 6298/1.8=2, 4.1/6285=1 H ASP 41 - HE3 LYS 76 OK 12 80 - 15 - 6296/1.8=2, 6296=2 Peak 3810 from cnoeabs.peaks (4.00, 2.76, 42.01 ppm; 4.63 A): 6 out of 27 assignments used, quality = 1.00: * HA LYS 114 + HE2 LYS 114 OK 99 100 - 99 - 6.3=40, 3737/3.0=24...(32) HB2 SER 138 + HE2 LYS 114 OK 66 100 - 66 - 9719=8, 3821/1.8=8...(18) HB3 SER 138 + HE2 LYS 114 OK 66 100 - 66 - 9719=8, 3821/1.8=8...(18) HA MET 113 + HE2 LYS 114 OK 63 100 - 63 - 3.6/3809=9, 3821/1.8=8...(18) HA LYS 114 + HE2 LYS 76 OK 57 90 - 63 - 3.6/3813=10, 3.6/3784=8...(20) HA LYS 114 + HE3 LYS 76 OK 54 87 - 62 - 3.6/3813=10, 3.6/3784=7...(21) HA MET 113 - HE2 LYS 76 OK 44 90 - 49 - 3685=6, 3685/1.8=4...(19) HA MET 113 - HE3 LYS 76 OK 42 87 - 49 - 3685/1.8=6, 3685=4...(19) HA GLU 122 - HE2 LYS 114 OK 23 100 - 23 - 3734/3.7=4, 3799/3.0=3...(8) HA LEU 69 - HE2 LYS 76 OK 23 90 - 26 - 2008/3.9=6, 2003/5.1=4...(6) HA LEU 69 - HE3 LYS 76 OK 22 86 - 25 - 2004/3.9=6, 2003/5.1=4...(6) HA LEU 69 - HE2 LYS 114 OK 19 100 - 19 - 3788/3.0=2, 3821/1.8=2...(7) HB2 SER 138 - HE2 LYS 76 OK 15 90 - 16 - ~10470=2, 9719/1.8=2...(5) HB3 SER 138 - HE2 LYS 76 OK 14 90 - 16 - ~10470=2, 9719/1.8=2...(5) HB2 SER 138 - HE3 LYS 76 OK 13 86 - 15 - 3.0/10470=2, 9719/1.8=1...(5) HB3 SER 138 - HE3 LYS 76 OK 13 86 - 15 - 3.0/10470=2, ~10470=1...(5) HA GLU 122 - HE2 LYS 76 OK 13 90 - 14 - 4059/3.9=2, 2008/3.9=2 HA GLU 122 - HE3 LYS 76 OK 12 87 - 14 - 4059/3.9=2, 2008/3.9=2 HB3 SER 127 - HE2 LYS 114 lone 6 81 - 8 - HB3 SER 127 - HE2 LYS 76 lone 4 68 - 5 - 10262/5.1=1 HB3 SER 127 - HE3 LYS 76 lone 3 64 - 5 - 10262/5.1=1 HB3 SER 100 - HE2 LYS 114 lone 3 72 - 3 - HB2 SER 103 - HE2 LYS 114 lone 2 72 - 3 - HB3 SER 100 - HE2 LYS 76 lone 1 60 - 2 - HB3 SER 100 - HE3 LYS 76 lone 1 56 - 2 - HB2 SER 103 - HE2 LYS 76 lone 1 60 - 1 - HB2 SER 103 - HE3 LYS 76 lone 1 56 - 1 - Peak 3811 from cnoeabs.peaks (1.65, 2.76, 42.01 ppm; 4.30 A): 6 out of 36 assignments used, quality = 1.00: * HB2 LYS 114 + HE2 LYS 114 OK 99 100 - 99 - 4.9=68, ~3824=26...(34) HB2 LYS 114 + HE2 LYS 76 OK 66 90 - 74 - 2.9/3813=11, 2.9/3784=8...(26) HB2 LYS 114 + HE3 LYS 76 OK 63 87 - 73 - 2.9/3813=10, 2.9/3784=8...(26) HD3 LYS 93 + HE2 LYS 114 OK 62 100 - 62 - 3789/3.0=8, 3822/1.8=7...(23) HD3 LYS 93 + HE2 LYS 76 OK 58 90 - 65 - ~3071=5, 3082/3.0=5...(35) HD3 LYS 93 + HE3 LYS 76 OK 56 87 - 64 - ~3071=5, 3082/3.0=5...(35) HG13 ILE 136 - HE2 LYS 76 OK 31 89 - 35 - 2.3/9676=4, 2.1/9670=4...(13) HB2 PRO 57 - HE2 LYS 114 OK 31 100 - 31 - 3767/3.7=4, 3789/3.0=4...(9) HG13 ILE 136 - HE3 LYS 76 OK 29 85 - 35 - 2.3/9676=4, 2.1/9670=4...(13) HG2 ARG 124 - HE2 LYS 114 OK 26 77 - 34 - ~10679=7, ~10678=7...(9) HG13 ILE 136 - HE2 LYS 114 OK 25 100 - 25 - 2.3/9676=4, ~10336=3...(11) HD2 LYS 48 - HE2 LYS 114 OK 17 62 - 27 - 3789/3.0=3, 3767/3.7=3...(13) HG2 ARG 140 - HE2 LYS 114 OK 15 99 - 15 - 3822/1.8=3, 3789/3.0=2...(6) HB2 PRO 57 - HE2 LYS 76 OK 13 90 - 15 - 1517/3.9=2, 1517/3.0=2 HB2 PRO 57 - HE3 LYS 76 OK 13 86 - 15 - 1517/3.9=2, 1517/3.0=2 HB3 LEU 26 - HE2 LYS 114 OK 11 62 - 17 - 3778/3.7=2, 3789/3.0=2...(7) HD2 LYS 48 - HE2 LYS 76 poor 6 51 - 12 - ~2308=1, ~2297=1 HD2 LYS 48 - HE3 LYS 76 poor 6 48 - 12 - ~2308=1, ~2297=1 HB VAL 71 - HE2 LYS 76 lone 5 51 - 9 - 2.1/8504=4, ~8504=2 HB VAL 71 - HE3 LYS 76 lone 4 48 - 9 - ~8504=3, 2.1/8504=3 HB2 MET 68 - HE2 LYS 114 lone 4 81 - 5 - HB VAL 71 - HE2 LYS 114 lone 4 62 - 6 - HG2 ARG 140 - HE2 LYS 76 lone 3 87 - 4 - HG2 ARG 124 - HE2 LYS 76 lone 3 64 - 5 - HG2 ARG 140 - HE3 LYS 76 lone 3 84 - 4 - HB2 LEU 95 - HE2 LYS 114 lone 3 62 - 5 - HG2 ARG 124 - HE3 LYS 76 lone 3 60 - 5 - HB2 MET 68 - HE2 LYS 76 lone 2 68 - 4 - HB3 LEU 26 - HE2 LYS 76 lone 2 51 - 4 - HB2 MET 68 - HE3 LYS 76 lone 2 64 - 3 - HG2 ARG 89 - HE2 LYS 114 lone 2 62 - 3 - HB3 LEU 26 - HE3 LYS 76 lone 2 48 - 4 - HB2 LEU 95 - HE2 LYS 76 lone 2 51 - 4 - HB2 LEU 95 - HE3 LYS 76 lone 2 48 - 4 - HG2 ARG 89 - HE2 LYS 76 lone 1 51 - 2 - HG2 ARG 89 - HE3 LYS 76 lone 1 48 - 2 - Peak 3813 from cnoeabs.peaks (0.45, 2.76, 42.01 ppm; 3.19 A): 3 out of 3 assignments used, quality = 0.99: * HG2 LYS 114 + HE2 LYS 114 OK 95 100 - 95 - 3.7=65, 3824/1.8=34...(30) HG2 LYS 114 + HE2 LYS 76 OK 52 90 - 58 - 3773=6, 1.8/3784=6...(26) HG2 LYS 114 + HE3 LYS 76 OK 49 87 - 57 - 3773=6, 1.8/3784=6...(26) Peak 3814 from cnoeabs.peaks (1.05, 2.76, 42.01 ppm; 3.13 A): 4 out of 9 assignments used, quality = 0.99: * HG3 LYS 114 + HE2 LYS 114 OK 94 100 - 94 - 3.7=61, ~3824=20...(31) HG3 LYS 114 + HE2 LYS 76 OK 55 90 - 61 - 1.8/3813=9, 3784=8...(26) HG13 ILE 91 + HE2 LYS 114 OK 54 98 - 55 - 3825/1.8=10, 3792/3.0=8...(19) HG3 LYS 114 + HE3 LYS 76 OK 52 87 - 61 - 1.8/3813=8, 3784=7...(27) HG13 ILE 91 - HE2 LYS 76 OK 39 86 - 46 - ~8666=7, ~8663=7...(15) HG13 ILE 91 - HE3 LYS 76 OK 38 82 - 46 - ~8666=7, ~8663=7...(16) QG2 VAL 53 - HE2 LYS 114 OK 31 100 - 31 - 3825/1.8=6, 3792/3.0=5...(10) QG2 VAL 53 - HE2 LYS 76 lone 5 90 - 6 - QG2 VAL 53 - HE3 LYS 76 lone 5 86 - 6 - Peak 3815 from cnoeabs.peaks (1.41, 2.76, 42.01 ppm; 2.79 A): 3 out of 18 assignments used, quality = 0.98: * HD2 LYS 114 + HE2 LYS 114 OK 94 100 - 94 - 3.0=82, 3826/1.8=15...(18) HD2 LYS 114 + HE2 LYS 76 OK 51 90 - 56 - 3795=7, 3795/1.8=5...(26) HD2 LYS 114 + HE3 LYS 76 OK 48 87 - 55 - 3795=7, 3795/1.8=5...(26) HG3 LYS 93 - HE2 LYS 76 OK 29 81 - 35 - 3060/3.0=4, 3050/3.9=3...(17) HG3 LYS 93 - HE2 LYS 114 OK 29 94 - 30 - 3826/1.8=5, 3804/3.0=4...(15) HG3 LYS 93 - HE3 LYS 76 OK 27 77 - 35 - 3060/3.0=4, 3050/3.9=3...(16) HG LEU 116 - HE2 LYS 114 OK 24 98 - 25 - 3826/1.8=4, 3804/3.0=3...(11) HG2 LYS 24 - HE2 LYS 114 OK 21 99 - 21 - 10906/3.0=5, 3826/1.8=3...(7) HB2 ARG 35 - HE2 LYS 114 OK 20 100 - 20 - 3826/1.8=3, 3804/3.0=2...(8) HG2 LYS 36 - HE2 LYS 114 lone 7 99 - 7 - 3826/1.8=1, 3771/3.7=1 HG LEU 116 - HE2 LYS 76 lone 5 86 - 6 - ~11093=1 HG LEU 116 - HE3 LYS 76 lone 5 82 - 6 - HG2 LYS 24 - HE3 LYS 76 lone 3 84 - 4 - HG2 LYS 24 - HE2 LYS 76 lone 3 87 - 4 - HB2 ARG 35 - HE2 LYS 76 lone 2 89 - 2 - HB2 ARG 35 - HE3 LYS 76 lone 2 85 - 2 - HG2 LYS 36 - HE2 LYS 76 lone 1 87 - 2 - HG2 LYS 36 - HE3 LYS 76 lone 1 84 - 2 - Peak 3816 from cnoeabs.peaks (1.49, 2.76, 42.01 ppm; 2.75 A): 3 out of 15 assignments used, quality = 0.98: * HD3 LYS 114 + HE2 LYS 114 OK 92 100 - 92 - 3.0=79, 3827/1.8=17...(19) HD3 LYS 114 + HE2 LYS 76 OK 49 90 - 54 - 3806=6, 1.8/3795=5...(26) HD3 LYS 114 + HE3 LYS 76 OK 46 87 - 54 - 3806=6, 3806/1.8=5...(25) HB3 LEU 29 - HE2 LYS 114 OK 30 98 - 31 - 3827/1.8=6, 3794/3.0=4...(11) HB3 LEU 29 - HE2 LYS 76 OK 27 86 - 31 - 357/3.0=4, 357/3.9=3...(11) HB3 LEU 29 - HE3 LYS 76 OK 25 82 - 31 - 357/3.0=4, 357/3.9=3...(11) HG13 ILE 101 - HE2 LYS 114 OK 20 100 - 20 - 3827/1.8=4, 3794/3.0=3...(6) QB ALA 134 - HE2 LYS 114 OK 11 72 - 15 - 3827/1.8=2, 9641=2...(6) QB ALA 134 - HE2 LYS 76 OK 11 60 - 18 - 2.1/4573=3, 9641=2...(9) HG2 LYS 34 - HE2 LYS 114 OK 11 94 - 11 - 3827/1.8=2, 3794/3.0=2...(4) QB ALA 134 - HE3 LYS 76 OK 10 56 - 19 - 2.1/4573=3, 9641=3...(9) HG13 ILE 101 - HE2 LYS 76 lone 2 90 - 3 - HG13 ILE 101 - HE3 LYS 76 lone 2 86 - 3 - HG2 LYS 34 - HE2 LYS 76 lone 1 81 - 2 - HG2 LYS 34 - HE3 LYS 76 lone 1 77 - 2 - Peak 3817 from cnoeabs.peaks (2.76, 2.76, 42.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 114 + HE2 LYS 114 OK 100 100 - 100 HE2 LYS 76 + HE2 LYS 76 OK 90 90 - 100 HE3 LYS 76 + HE3 LYS 76 OK 85 85 - 100 Peak 3818 from cnoeabs.peaks (2.82, 2.76, 42.01 ppm; 2.50 A): 1 out of 15 assignments used, quality = 1.00: * HE3 LYS 114 + HE2 LYS 114 OK 100 100 - 100 - 1.8=100 HE3 LYS 114 - HE2 LYS 76 OK 36 90 - 40 - 3828=8, 3828/1.8=5...(12) HE3 LYS 114 - HE3 LYS 76 OK 34 87 - 39 - 3828=8, 3828/1.8=5...(11) HB2 ASP 40 - HE2 LYS 114 OK 33 94 - 35 - 881=5, 3796/3.0=4...(19) HB2 ASN 139 - HE2 LYS 114 OK 23 100 - 23 - 3796/3.0=3, 3807/3.0=3...(12) HB2 ASN 130 - HE2 LYS 114 lone 10 100 - 10 - 3796/3.0=1, ~4426=1...(4) HB2 ASP 40 - HE2 LYS 76 lone 6 81 - 7 - HB2 ASP 40 - HE3 LYS 76 lone 5 77 - 7 - HB3 ASN 54 - HE2 LYS 114 lone 4 81 - 4 - HB2 ASN 139 - HE2 LYS 76 lone 2 89 - 3 - HB2 ASN 139 - HE3 LYS 76 lone 2 85 - 3 - HB3 ASN 54 - HE2 LYS 76 lone 1 68 - 2 - HB3 ASN 54 - HE3 LYS 76 lone 1 64 - 2 - HB2 ASN 130 - HE2 LYS 76 lone 1 89 - 1 - HB2 ASN 130 - HE3 LYS 76 lone 1 85 - 1 - Peak 3820 from cnoeabs.peaks (7.38, 2.82, 42.01 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.97: * H LYS 114 + HE3 LYS 114 OK 87 100 - 87 - 4.9/3824=20, 7.0=17...(25) H ASP 41 + HE3 LYS 114 OK 56 96 - 58 - 6295=12, 6296/1.8=10...(16) H ARG 49 + HE3 LYS 114 OK 42 100 - 42 - 7406/3.7=9, 3776/3.7=7...(9) Peak 3821 from cnoeabs.peaks (4.00, 2.82, 42.01 ppm; 4.74 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HE3 LYS 114 OK 99 100 - 99 - 6.3=43, 3.6/3824=40...(38) HA MET 113 + HE3 LYS 114 OK 67 100 - 67 - 3.6/3820=19...(19) HB2 SER 138 + HE3 LYS 114 OK 65 100 - 66 - 3799/3.0=8, 3788/3.0=7...(19) HB3 SER 138 + HE3 LYS 114 OK 65 100 - 66 - 3799/3.0=8, 3788/3.0=7...(19) HA GLU 122 - HE3 LYS 114 OK 23 100 - 23 - 3734/3.7=4, 3799/3.0=3...(9) HA LEU 69 - HE3 LYS 114 OK 15 100 - 15 - 3788/3.0=2, 3766/3.7=2...(8) HB3 SER 127 - HE3 LYS 114 lone 6 81 - 7 - HB3 SER 100 - HE3 LYS 114 lone 3 72 - 4 - HB2 SER 103 - HE3 LYS 114 lone 2 72 - 3 - Peak 3822 from cnoeabs.peaks (1.65, 2.82, 42.01 ppm; 4.68 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 114 + HE3 LYS 114 OK 100 100 - 100 - 4.9=87, 2.9/3824=44...(42) HD3 LYS 93 + HE3 LYS 114 OK 71 100 - 71 - 3.0/3826=10, 3789/3.0=9...(34) HB2 PRO 57 - HE3 LYS 114 OK 35 100 - 35 - 10585/8139=6, 3767/3.7=5...(10) HG2 ARG 124 - HE3 LYS 114 OK 29 77 - 37 - ~10679=9, ~10678=9...(9) HG13 ILE 136 - HE3 LYS 114 OK 25 100 - 25 - 3.7/4600=4, ~9676=3...(10) HG2 ARG 140 - HE3 LYS 114 OK 22 99 - 22 - 3.8/10368=5, 4.9/7819=4...(9) HD2 LYS 48 - HE3 LYS 114 OK 19 62 - 30 - 3789/3.0=3, 3778/3.7=3...(14) HB3 LEU 26 - HE3 LYS 114 OK 12 62 - 19 - 3778/3.7=3, 3767/3.7=3...(7) HB VAL 71 - HE3 LYS 114 lone 4 62 - 6 - HB2 MET 68 - HE3 LYS 114 lone 3 81 - 4 - HB2 LEU 95 - HE3 LYS 114 lone 3 62 - 5 - HG2 ARG 89 - HE3 LYS 114 lone 3 62 - 4 - Peak 3824 from cnoeabs.peaks (0.45, 2.82, 42.01 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.96: * HG2 LYS 114 + HE3 LYS 114 OK 96 100 - 96 - 3.7=70, 1.8/3825=18...(36) Peak 3825 from cnoeabs.peaks (1.05, 2.82, 42.01 ppm; 3.21 A): 2 out of 3 assignments used, quality = 0.98: * HG3 LYS 114 + HE3 LYS 114 OK 96 100 - 96 - 3.7=66, 1.8/3824=34...(34) HG13 ILE 91 + HE3 LYS 114 OK 58 98 - 59 - 3792/3.0=9, 3803/3.0=9...(23) QG2 VAL 53 - HE3 LYS 114 OK 34 100 - 33 - 3792/3.0=5, 10450/7.0=5...(11) Peak 3826 from cnoeabs.peaks (1.41, 2.82, 42.01 ppm; 2.85 A): 1 out of 6 assignments used, quality = 0.96: * HD2 LYS 114 + HE3 LYS 114 OK 96 100 - 96 - 3.0=87, 2.9/3824=19...(21) HG3 LYS 93 - HE3 LYS 114 OK 33 94 - 35 - 3804/3.0=4, 3815/1.8=3...(16) HG LEU 116 - HE3 LYS 114 OK 25 98 - 25 - 3804/3.0=3, 3782/3.7=3...(10) HB2 ARG 35 - HE3 LYS 114 OK 21 100 - 21 - 3804/3.0=3, 3771/3.7=2...(9) HG2 LYS 24 - HE3 LYS 114 OK 20 99 - 20 - 10906/3.0=5, 3804/3.0=3...(9) HG2 LYS 36 - HE3 LYS 114 lone 8 99 - 8 - 3771/3.7=1 Peak 3827 from cnoeabs.peaks (1.49, 2.82, 42.01 ppm; 2.89 A): 1 out of 5 assignments used, quality = 0.97: * HD3 LYS 114 + HE3 LYS 114 OK 97 100 - 97 - 3.0=91, 2.9/3824=20...(22) HB3 LEU 29 - HE3 LYS 114 OK 33 98 - 34 - 3794/3.0=5, 3783/3.7=3...(12) HG13 ILE 101 - HE3 LYS 114 OK 21 100 - 21 - 3794/3.0=4, 3772/3.7=3...(9) HG2 LYS 34 - HE3 LYS 114 OK 11 94 - 12 - 3794/3.0=2, 3772/3.7=1...(4) QB ALA 134 - HE3 LYS 114 OK 10 72 - 14 - 3794/3.0=2, 9641/1.8=2...(5) Peak 3828 from cnoeabs.peaks (2.76, 2.82, 42.01 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HE2 LYS 114 + HE3 LYS 114 OK 100 100 - 100 - 1.8=100 HE2 LYS 76 - HE3 LYS 114 OK 38 100 - 38 - 3818=7, 1.8/3818=4...(12) HE3 LYS 76 - HE3 LYS 114 OK 38 100 - 38 - 3818=7, 1.8/3818=4...(11) HB3 ASP 40 - HE3 LYS 114 OK 32 98 - 33 - 886=6, 4.4/3820=3...(17) HG3 MET 113 - HE3 LYS 114 OK 11 85 - 13 - 3.7/3821=1, ~3711=1 HB2 ASP 41 - HE3 LYS 114 poor 9 72 - 12 - 3.8/3820=3, 3818=2 HB3 ASP 137 - HE3 LYS 114 lone 5 72 - 6 - 9707/3.0=1 HB2 ASN 54 - HE3 LYS 114 lone 3 89 - 3 - HB3 PHE 43 - HE3 LYS 114 lone 1 72 - 2 - Peak 3829 from cnoeabs.peaks (2.82, 2.82, 42.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 114 + HE3 LYS 114 OK 100 100 - 100 Peak 3831 from cnoeabs.peaks (8.12, 4.51, 60.60 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.98: * H TYR 115 + HA TYR 115 OK 98 98 - 100 - 3.0=100 H LEU 87 - HA TYR 115 OK 43 97 - 45 - 3831=12, 3839/2.9=8...(10) Peak 3832 from cnoeabs.peaks (4.51, 4.51, 60.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HA TYR 115 + HA TYR 115 OK 97 97 - 100 Peak 3833 from cnoeabs.peaks (2.95, 4.51, 60.60 ppm; 4.26 A): 1 out of 10 assignments used, quality = 0.98: * HB2 TYR 115 + HA TYR 115 OK 98 98 - 100 - 2.9=100 HB3 PHE 67 - HA TYR 115 OK 45 98 - 46 - 3833=8, 1941/3.7=7...(14) HE2 LYS 48 - HA TYR 115 OK 25 98 - 26 - 3833=4, 1.8/3833=3...(11) HE3 LYS 48 - HA TYR 115 OK 25 96 - 26 - 3833=4, 1.8/3833=3...(11) HE2 LYS 93 - HA TYR 115 OK 18 98 - 19 - 3833=3, 7429/3.0=2...(8) HE2 LYS 85 - HA TYR 115 OK 17 98 - 18 - 3833=3, 1.8/3833=2...(8) HE3 LYS 85 - HA TYR 115 OK 16 90 - 17 - 3833=3, 1.8/3833=2...(8) HE3 LYS 93 - HA TYR 115 OK 13 77 - 17 - 1.8/3833=2, 3833=2...(9) HB2 PHE 106 - HA TYR 115 OK 13 98 - 13 - 3833=2, 3849/2.9=1, 5659/3.7=1 HB3 ASN 130 - HA TYR 115 lone 2 59 - 4 - Peak 3834 from cnoeabs.peaks (2.69, 4.51, 60.60 ppm; 4.65 A): 3 out of 6 assignments used, quality = 1.00: * HB3 TYR 115 + HA TYR 115 OK 98 98 - 100 - 2.9=100 HB3 ASP 13 + HA TYR 115 OK 64 95 - 68 - 119=11, 3842/2.9=10...(16) HB2 ASP 32 + HA TYR 115 OK 50 97 - 52 - 4.0/10812=13, 3834=10...(13) HB2 PHE 43 - HA TYR 115 OK 31 96 - 32 - 3834=6, 3842/2.9=5...(14) HB2 ASP 137 - HA TYR 115 OK 22 95 - 24 - 3834=5, 3842/2.9=3...(10) HB3 ASP 16 - HA TYR 115 OK 16 90 - 17 - 3842/2.9=2, 3853/3.6=2...(9) Peak 3835 from cnoeabs.peaks (7.31, 4.51, 60.60 ppm; 3.71 A): 1 out of 4 assignments used, quality = 0.98: * QD TYR 115 + HA TYR 115 OK 98 98 - 100 - 3.7=99, 7431/3.0=20...(11) H ASP 30 - HA TYR 115 OK 27 98 - 28 - 3835=7, 7431/3.0=5...(8) H PHE 67 - HA TYR 115 OK 17 59 - 29 - 3835=6, 3843/2.9=4...(10) H ARG 35 - HA TYR 115 OK 16 95 - 17 - 7431/3.0=4, 3843/2.9=3...(8) Peak 3839 from cnoeabs.peaks (8.12, 2.95, 41.04 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 4.0=100 H LEU 87 - HB2 TYR 115 OK 39 100 - 39 - 3831/2.9=11...(8) Peak 3840 from cnoeabs.peaks (4.51, 2.95, 41.04 ppm; 5.02 A): 2 out of 2 assignments used, quality = 1.00: * HA TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 2.9=100 HA HIS 14 + HB2 TYR 115 OK 55 100 - 55 - ~11248=8, 9344/4.5=8...(14) Peak 3841 from cnoeabs.peaks (2.95, 2.95, 41.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 115 + HB2 TYR 115 OK 100 100 - 100 Peak 3842 from cnoeabs.peaks (2.69, 2.95, 41.04 ppm; 3.89 A): 2 out of 6 assignments used, quality = 1.00: * HB3 TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 1.8=100 HB3 ASP 13 + HB2 TYR 115 OK 64 98 - 65 - ~4658=14, ~116=8...(15) HB2 ASP 32 - HB2 TYR 115 OK 35 100 - 35 - 4.8/10215=7, ~420=5...(10) HB2 PHE 43 - HB2 TYR 115 OK 22 99 - 23 - 3834/2.9=3, ~985=3...(11) HB2 ASP 137 - HB2 TYR 115 OK 16 98 - 16 - 3834/2.9=2, 4660/2.5=2...(8) HB3 ASP 16 - HB2 TYR 115 OK 14 94 - 14 - ~157=2, 3849=2, ~161=2...(9) Peak 3843 from cnoeabs.peaks (7.31, 2.95, 41.04 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * QD TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 2.5=100 H ASP 30 - HB2 TYR 115 OK 33 100 - 33 - 3835/2.9=6, 5663/4.5=6...(9) H PHE 67 - HB2 TYR 115 OK 29 62 - 47 - 2.8/1925=7, 3851/1.8=6...(14) H ARG 35 - HB2 TYR 115 OK 27 98 - 28 - ~581=5, 3835/2.9=4...(9) Peak 3847 from cnoeabs.peaks (8.12, 2.69, 41.04 ppm; 3.57 A): 3 out of 6 assignments used, quality = 0.93: * H TYR 115 + HB3 TYR 115 OK 88 100 - 88 - 4.0=69, 7431/2.5=21...(10) H LEU 87 + HB3 TYR 115 OK 26 100 - 26 - 3831/2.9=7, 3839/1.8=7...(7) H TYR 115 + HB3 ASP 13 OK 24 79 - 30 - 7430=9, 3.0/119=6...(7) H TYR 115 - HB3 ASP 16 lone 6 75 - 7 - 7430=2, 3.0/3848=1, 4.0/3842=1 H LEU 87 - HB3 ASP 13 lone 3 77 - 4 - H LEU 87 - HB3 ASP 16 lone 1 73 - 2 - Peak 3848 from cnoeabs.peaks (4.51, 2.69, 41.04 ppm; 3.36 A): 1 out of 6 assignments used, quality = 1.00: * HA TYR 115 + HB3 TYR 115 OK 100 100 - 100 - 2.9=100 HA TYR 115 - HB3 ASP 13 OK 32 77 - 42 - 119=8, 114/1.8=7...(14) HA HIS 14 - HB3 TYR 115 OK 27 100 - 27 - 3840/1.8=5, 3.0/6018=4...(11) HA HIS 14 - HB3 ASP 13 OK 20 77 - 27 - ~117=9, 3.0/122=7...(5) HA TYR 115 - HB3 ASP 16 lone 7 73 - 9 - 2.9/3842=1, 3.6/3853=1...(4) HA HIS 14 - HB3 ASP 16 lone 1 73 - 1 - Peak 3849 from cnoeabs.peaks (2.95, 2.69, 41.04 ppm; 3.86 A): 2 out of 30 assignments used, quality = 1.00: * HB2 TYR 115 + HB3 TYR 115 OK 100 100 - 100 - 1.8=100 HB2 TYR 115 + HB3 ASP 13 OK 52 79 - 66 - ~4658=13, 3842=12...(15) HB3 PHE 67 - HB3 TYR 115 OK 43 100 - 44 - 1941/2.5=7, ~1936=5...(16) HE2 LYS 48 - HB3 TYR 115 OK 18 100 - 18 - 3.6/10216=3, 3833/2.9=2...(9) HE3 LYS 48 - HB3 TYR 115 OK 18 99 - 18 - 3.6/10216=3, 3833/2.9=2...(9) HE2 LYS 85 - HB3 TYR 115 OK 13 100 - 13 - 3833/2.9=2, 5659/2.5=1...(5) HE2 LYS 93 - HB3 TYR 115 OK 13 100 - 13 - 3833/2.9=2, 7429/4.0=1...(4) HE3 LYS 85 - HB3 TYR 115 OK 12 94 - 13 - 3833/2.9=2, 4659/2.5=1...(5) HB2 TYR 115 - HB3 ASP 16 OK 11 75 - 15 - 3842=3, ~157=2, ~161=2...(9) HB2 PHE 106 - HB3 TYR 115 OK 11 100 - 11 - 3833/2.9=1, 5659/2.5=1 HE3 LYS 93 - HB3 TYR 115 poor 9 81 - 11 - 3833/2.9=1, ~3833=1...(7) HB3 PHE 67 - HB3 ASP 13 lone 6 79 - 7 - 4.4/10953=2, 3.0/1932=2 HB2 PHE 106 - HB3 ASP 13 lone 2 79 - 3 - HE2 LYS 48 - HB3 ASP 13 lone 2 79 - 2 - HE3 LYS 48 - HB3 ASP 13 lone 2 76 - 2 - HB3 ASN 130 - HB3 TYR 115 lone 1 62 - 2 - HE2 LYS 93 - HB3 ASP 13 lone 1 79 - 2 - HE2 LYS 85 - HB3 ASP 13 lone 1 78 - 2 - HE3 LYS 85 - HB3 ASP 13 lone 1 70 - 1 - HB3 PHE 67 - HB3 ASP 16 lone 1 74 - 1 - HE2 LYS 85 - HB3 ASP 16 lone 1 74 - 1 - HE3 LYS 93 - HB3 ASP 13 lone 1 58 - 1 - HE2 LYS 93 - HB3 ASP 16 lone 1 74 - 1 - HE3 LYS 85 - HB3 ASP 16 lone 1 66 - 1 - HE2 LYS 48 - HB3 ASP 16 lone 1 75 - 1 - HE3 LYS 48 - HB3 ASP 16 lone 1 72 - 1 - HB2 PHE 106 - HB3 ASP 16 lone 0 74 - 1 - HE3 LYS 93 - HB3 ASP 16 lone 0 54 - 1 - HB3 ASN 130 - HB3 ASP 13 lone 0 42 - 1 - HB3 ASN 130 - HB3 ASP 16 lone 0 39 - 0 - Peak 3850 from cnoeabs.peaks (2.69, 2.69, 41.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 115 + HB3 TYR 115 OK 100 100 - 100 HB3 ASP 13 + HB3 ASP 13 OK 74 74 - 100 HB3 ASP 16 + HB3 ASP 16 OK 66 66 - 100 Peak 3851 from cnoeabs.peaks (7.31, 2.69, 41.04 ppm; 4.67 A): 2 out of 12 assignments used, quality = 1.00: * QD TYR 115 + HB3 TYR 115 OK 100 100 - 100 - 2.5=100 QD TYR 115 + HB3 ASP 13 OK 61 79 - 77 - 4658/3.0=36, 2.5/3842=11...(16) H ASP 30 - HB3 TYR 115 OK 35 100 - 35 - 3843/1.8=8, 3835/2.9=7...(7) H PHE 67 - HB3 TYR 115 OK 31 62 - 49 - 3843/1.8=8, ~1922=7...(15) H ARG 35 - HB3 TYR 115 OK 30 98 - 31 - 3843/1.8=6, ~581=6...(9) QD TYR 115 - HB3 ASP 16 OK 14 75 - 19 - 4660=3, 2.5/3842=2...(10) H ASP 30 - HB3 ASP 13 lone 5 78 - 7 - H PHE 67 - HB3 ASP 13 poor 5 42 - 12 - 3.6/10953=3, 2.8/1932=3 H ARG 35 - HB3 ASP 13 lone 5 74 - 7 - ~8006=2 H ARG 35 - HB3 ASP 16 lone 2 70 - 2 - H ASP 30 - HB3 ASP 16 lone 2 74 - 2 - H PHE 67 - HB3 ASP 16 lone 1 39 - 2 - Peak 3853 from cnoeabs.peaks (8.38, 2.69, 41.04 ppm; 3.86 A): 2 out of 3 assignments used, quality = 0.86: * H LEU 116 + HB3 TYR 115 OK 82 100 - 82 - 4.7=57, 7433/4.0=26...(9) H LEU 116 + HB3 ASP 13 OK 23 79 - 29 - 4.5/9386=6, 3.6/119=6...(7) H LEU 116 - HB3 ASP 16 lone 7 75 - 9 - 7438=2, 3.6/3834=1, 4.7/3842=1 Peak 3855 from cnoeabs.peaks (4.73, 4.73, 54.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 116 + HA LEU 116 OK 100 100 - 100 Peak 3857 from cnoeabs.peaks (0.68, 4.73, 54.64 ppm; 4.59 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 116 + HA LEU 116 OK 100 100 - 100 - 3.0=100 QD1 ILE 83 + HA LEU 116 OK 58 99 - 58 - 10021/4.0=15...(14) QD2 LEU 66 + HA LEU 116 OK 50 85 - 58 - 9900/3.0=10, 3897/3.9=9...(15) QD2 LEU 39 - HA LEU 116 OK 42 81 - 52 - 8121/3.0=8, 863/4.0=7...(14) Peak 3862 from cnoeabs.peaks (8.38, 1.04, 44.17 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.9=100 Peak 3863 from cnoeabs.peaks (4.73, 1.04, 44.17 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.0=100 HA SER 127 - HB2 LEU 116 OK 45 89 - 51 - 3871/1.8=9, 3895/3.2=7...(15) HA THR 51 - HB2 LEU 116 OK 40 96 - 41 - 3871/1.8=8, 7441/3.9=6...(12) Peak 3864 from cnoeabs.peaks (1.04, 1.04, 44.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 116 + HB2 LEU 116 OK 100 100 - 100 Peak 3865 from cnoeabs.peaks (0.68, 1.04, 44.17 ppm; 4.13 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 1.8=100 QD2 LEU 66 + HB2 LEU 116 OK 68 85 - 80 - 9900=11, 3897/3.2=9...(29) QD1 ILE 83 + HB2 LEU 116 OK 63 99 - 63 - 10021/3.1=15...(18) QD2 LEU 39 + HB2 LEU 116 OK 56 81 - 69 - 2.1/8111=11, 8121=10...(24) Peak 3866 from cnoeabs.peaks (1.40, 1.04, 44.17 ppm; 4.88 A): 4 out of 7 assignments used, quality = 1.00: * HG LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.0=100 HD2 LYS 114 + HB2 LEU 116 OK 73 98 - 75 - 7444/3.9=8, 3874/1.8=8...(29) HB2 ARG 35 + HB2 LEU 116 OK 64 100 - 64 - 2.9/624=8, 3874/1.8=7...(26) HG2 LYS 36 + HB2 LEU 116 OK 56 89 - 63 - 3890/3.1=7, 3874/1.8=7...(25) HG3 LYS 93 - HB2 LEU 116 OK 36 77 - 46 - ~10229=5, ~10295=5...(20) HG2 LYS 24 - HB2 LEU 116 OK 18 89 - 20 - 3890/3.1=2, 3874/1.8=2...(7) HG2 LYS 86 - HB2 LEU 116 OK 12 77 - 15 - 3874/1.8=2, 3890/3.1=1...(5) Peak 3867 from cnoeabs.peaks (0.99, 1.04, 44.17 ppm; 3.44 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.1=100 HG12 ILE 136 + HB2 LEU 116 OK 58 100 - 58 - 3875/1.8=9, 3899/3.2=9...(18) HB2 LEU 39 + HB2 LEU 116 OK 52 89 - 59 - 3875/1.8=9, 3883/3.0=7...(27) Peak 3868 from cnoeabs.peaks (1.01, 1.04, 44.17 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.2=100 QD2 LEU 69 + HB2 LEU 116 OK 64 100 - 64 - 3876/1.8=14, 3892/3.1=12...(18) Peak 3869 from cnoeabs.peaks (8.40, 1.04, 44.17 ppm; 4.82 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 117 + HB2 LEU 116 OK 100 100 - 100 - 4.5=100 H GLU 75 - HB2 LEU 116 OK 29 81 - 36 - 3893/3.1=12, 3901/3.2=11...(5) H GLY 31 - HB2 LEU 116 OK 15 100 - 15 - 3885/3.0=4, 3877/1.8=4...(4) H SER 103 - HB2 LEU 116 OK 11 100 - 11 - 3877/1.8=3, 3885/3.0=3...(4) Peak 3870 from cnoeabs.peaks (8.38, 0.68, 44.17 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.9=100 Peak 3871 from cnoeabs.peaks (4.73, 0.68, 44.17 ppm; 5.28 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.0=100 HA SER 127 + HB3 LEU 116 OK 46 89 - 52 - 3863/1.8=11, 3887/3.1=8...(14) HA THR 51 - HB3 LEU 116 OK 41 96 - 42 - 3863/1.8=9, 3887/3.1=7...(11) Peak 3872 from cnoeabs.peaks (1.04, 0.68, 44.17 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 1.8=100 QG2 THR 110 - HB3 LEU 116 OK 44 98 - 45 - 3896/3.2=8, 9290/3.0=8...(13) HG13 ILE 91 - HB3 LEU 116 OK 42 77 - 54 - 3888/3.1=8, 3896/3.2=8...(20) Peak 3873 from cnoeabs.peaks (0.68, 0.68, 44.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 116 + HB3 LEU 116 OK 100 100 - 100 Peak 3874 from cnoeabs.peaks (1.40, 0.68, 44.17 ppm; 4.69 A): 4 out of 7 assignments used, quality = 1.00: * HG LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.0=100 HD2 LYS 114 + HB3 LEU 116 OK 60 98 - 62 - 3866/1.8=8, 7444/3.9=7...(22) HB2 ARG 35 + HB3 LEU 116 OK 57 100 - 57 - 3866/1.8=7, 3890/3.1=7...(22) HG2 LYS 36 + HB3 LEU 116 OK 52 89 - 58 - 3890/3.1=6, 3898/3.2=6...(24) HG3 LYS 93 - HB3 LEU 116 OK 32 77 - 42 - ~10229=5, 3898/3.2=4...(18) HG2 LYS 24 - HB3 LEU 116 OK 14 89 - 16 - 3890/3.1=2, 3866/1.8=2...(6) HG2 LYS 86 - HB3 LEU 116 OK 13 77 - 17 - 3.9/9395=3, 3890/3.1=1...(6) Peak 3875 from cnoeabs.peaks (0.99, 0.68, 44.17 ppm; 3.53 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.1=100 HG12 ILE 136 + HB3 LEU 116 OK 57 100 - 57 - 3867/1.8=10, 3899/3.2=9...(18) HB2 LEU 39 + HB3 LEU 116 OK 56 89 - 63 - 3867/1.8=9, 3883/3.0=7...(30) Peak 3876 from cnoeabs.peaks (1.01, 0.68, 44.17 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.2=100 QD2 LEU 69 + HB3 LEU 116 OK 68 100 - 68 - 3868/1.8=15, 3892/3.1=12...(19) Peak 3877 from cnoeabs.peaks (8.40, 0.68, 44.17 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 117 + HB3 LEU 116 OK 100 100 - 100 - 4.5=100 H GLU 75 - HB3 LEU 116 OK 27 81 - 34 - 3893/3.1=11, 3901/3.2=10...(5) H GLY 31 - HB3 LEU 116 OK 14 100 - 14 - 3885/3.0=4, 3869/1.8=4...(4) H SER 103 - HB3 LEU 116 OK 11 100 - 10 - 3869/1.8=3, 3885/3.0=3...(4) Peak 3878 from cnoeabs.peaks (8.38, 1.40, 26.69 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 116 + HG LEU 116 OK 98 100 - 98 - 4.9=81, 3894/2.1=43...(15) Peak 3879 from cnoeabs.peaks (4.73, 1.40, 26.69 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 116 + HG LEU 116 OK 100 100 - 100 - 3.6=100 HA SER 127 + HG LEU 116 OK 49 89 - 55 - 3887/2.1=12, 3863/3.0=12...(9) HA THR 51 - HG LEU 116 OK 39 96 - 40 - 3863/3.0=10, 3871/3.0=10...(6) Peak 3880 from cnoeabs.peaks (1.04, 1.40, 26.69 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 116 + HG LEU 116 OK 100 100 - 100 - 3.0=100 QG2 THR 110 - HG LEU 116 OK 40 98 - 41 - 3896/2.1=9, 9290=8...(12) HG13 ILE 91 - HG LEU 116 OK 37 77 - 48 - 3888/2.1=9, 3896/2.1=9...(15) Peak 3881 from cnoeabs.peaks (0.68, 1.40, 26.69 ppm; 3.87 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 116 + HG LEU 116 OK 100 100 - 100 - 3.0=100 QD2 LEU 66 + HG LEU 116 OK 66 85 - 78 - 2.1/9865=15, ~9393=11...(25) QD1 ILE 83 + HG LEU 116 OK 59 99 - 60 - 10021/2.1=17, 10005=14...(18) QD2 LEU 39 + HG LEU 116 OK 48 81 - 59 - 863/2.1=8, 3.2/3883=8...(19) Peak 3882 from cnoeabs.peaks (1.40, 1.40, 26.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 116 + HG LEU 116 OK 100 100 - 100 Peak 3883 from cnoeabs.peaks (0.99, 1.40, 26.69 ppm; 3.15 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + HG LEU 116 OK 100 100 - 100 - 2.1=100 HG12 ILE 136 + HG LEU 116 OK 54 100 - 54 - 3899/2.1=10, ~10227=7...(17) HB2 LEU 39 + HG LEU 116 OK 46 89 - 52 - 3899/2.1=7, 3875/3.0=6...(26) Peak 3884 from cnoeabs.peaks (1.01, 1.40, 26.69 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 116 + HG LEU 116 OK 100 100 - 100 - 2.1=100 QD2 LEU 69 + HG LEU 116 OK 64 100 - 64 - 3892/2.1=14, 3868/3.0=9...(20) Peak 3885 from cnoeabs.peaks (8.40, 1.40, 26.69 ppm; 4.53 A): 4 out of 4 assignments used, quality = 0.89: * H TYR 117 + HG LEU 116 OK 79 100 - 79 - 3901/2.1=27, 7451/3.0=25...(11) H GLU 75 + HG LEU 116 OK 30 81 - 37 - 3893/2.1=13, 3901/2.1=12...(7) H GLY 31 + HG LEU 116 OK 16 100 - 15 - 3893/2.1=4, 3901/2.1=4...(5) H SER 103 + HG LEU 116 OK 11 100 - 10 - 3901/2.1=3, 3893/2.1=3...(4) Peak 3886 from cnoeabs.peaks (8.38, 0.99, 27.97 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 4.6=100 Peak 3887 from cnoeabs.peaks (4.73, 0.99, 27.97 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 4.0=100 HA SER 127 - QD1 LEU 116 OK 42 89 - 47 - 3887=9, 3863/3.1=9...(9) HA THR 51 - QD1 LEU 116 OK 34 96 - 35 - 3863/3.1=8, 3871/3.1=7...(8) Peak 3888 from cnoeabs.peaks (1.04, 0.99, 27.97 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.83: * HB2 LEU 116 + QD1 LEU 116 OK 68 100 - 68 - 3.1=50, 3896/2.1=15...(10) HG13 ILE 91 + QD1 LEU 116 OK 28 77 - 36 - 3888=8, 3896/2.1=6...(13) QG2 THR 110 + QD1 LEU 116 OK 24 98 - 25 - 3896/2.1=6, 3888=5...(9) Peak 3889 from cnoeabs.peaks (0.68, 0.99, 27.97 ppm; 3.52 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 3.1=100 QD2 LEU 66 + QD1 LEU 116 OK 65 85 - 76 - 2.1/9393=16, 3897/2.1=10...(30) QD1 ILE 83 + QD1 LEU 116 OK 55 99 - 56 - 10021=14, 10005/2.1=10...(20) QD2 LEU 39 + QD1 LEU 116 OK 51 81 - 62 - 863=8, 2.1/855=7...(22) Peak 3890 from cnoeabs.peaks (1.40, 0.99, 27.97 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 2.1=100 HD2 LYS 114 + QD1 LEU 116 OK 48 98 - 49 - 3898/2.1=6, 2.9/3888=5...(20) HG2 LYS 36 - QD1 LEU 116 OK 45 89 - 50 - 3890=8, 3.0/10295=5...(20) HB2 ARG 35 - QD1 LEU 116 OK 44 100 - 44 - 3890=8, 3898/2.1=5...(21) HG3 LYS 93 - QD1 LEU 116 OK 27 77 - 35 - 2.9/10229=6, 3890=5...(15) HG2 LYS 24 - QD1 LEU 116 OK 13 89 - 15 - 10690=1, 3898/2.1=1...(4) HG2 LYS 86 - QD1 LEU 116 poor 9 77 - 12 - 3890=2, 1.8/10690=1, 3898/2.1=1 Peak 3891 from cnoeabs.peaks (0.99, 0.99, 27.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 116 + QD1 LEU 116 OK 100 100 - 100 Peak 3892 from cnoeabs.peaks (1.01, 0.99, 27.97 ppm; 2.50 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 2.1=100 QD2 LEU 69 + QD1 LEU 116 OK 54 100 - 54 - 2.1/10228=9, 3884/2.1=8...(18) Peak 3893 from cnoeabs.peaks (8.40, 0.99, 27.97 ppm; 4.57 A): 4 out of 4 assignments used, quality = 0.95: * H TYR 117 + QD1 LEU 116 OK 87 100 - 87 - 3893=31, 3901/2.1=28...(16) H GLU 75 + QD1 LEU 116 OK 45 81 - 56 - 3893=17, 3901/2.1=12...(12) H GLY 31 + QD1 LEU 116 OK 15 100 - 15 - 3885/2.1=4, 3901/2.1=4...(4) H SER 103 + QD1 LEU 116 OK 11 100 - 11 - 3885/2.1=3, 3901/2.1=3...(4) Peak 3894 from cnoeabs.peaks (8.38, 1.01, 24.27 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.94: * H LEU 116 + QD2 LEU 116 OK 94 100 - 94 - 5.0=50, 3878/2.1=28...(15) Peak 3895 from cnoeabs.peaks (4.73, 1.01, 24.27 ppm; 3.31 A): 3 out of 3 assignments used, quality = 0.92: * HA LEU 116 + QD2 LEU 116 OK 88 100 - 88 - 3.9=63, 2.9/3894=21...(12) HA SER 127 + QD2 LEU 116 OK 21 89 - 23 - 3895=5, 3.0/9375=4...(9) HA THR 51 + QD2 LEU 116 OK 15 96 - 15 - 3895=3, 3863/3.2=3...(6) Peak 3896 from cnoeabs.peaks (1.04, 1.01, 24.27 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.86: * HB2 LEU 116 + QD2 LEU 116 OK 72 100 - 72 - 3.2=49, 3888/2.1=16...(10) HG13 ILE 91 + QD2 LEU 116 OK 30 77 - 39 - 3896=10, 3888/2.1=6...(13) QG2 THR 110 + QD2 LEU 116 OK 29 98 - 29 - 3896=7, 3888/2.1=6...(9) Peak 3897 from cnoeabs.peaks (0.68, 1.01, 24.27 ppm; 3.16 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 116 + QD2 LEU 116 OK 99 100 - 99 - 3.2=99 QD2 LEU 66 + QD2 LEU 116 OK 62 85 - 73 - 2.1/9856=13, 4.0/8390=9...(30) QD1 ILE 83 + QD2 LEU 116 OK 47 99 - 47 - 10021/2.1=11...(18) QD2 LEU 39 - QD2 LEU 116 OK 40 81 - 49 - 863/2.1=6, 8122/9392=5...(20) Peak 3898 from cnoeabs.peaks (1.40, 1.01, 24.27 ppm; 3.04 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 116 + QD2 LEU 116 OK 100 100 - 100 - 2.1=100 HD2 LYS 114 - QD2 LEU 116 OK 38 98 - 39 - 3.6/10231=6, 2.9/3896=5...(15) HB2 ARG 35 - QD2 LEU 116 OK 34 100 - 34 - 3898=6, 3890/2.1=4...(16) HG2 LYS 36 - QD2 LEU 116 OK 33 89 - 37 - 3898=6, 3890/2.1=4...(16) HG3 LYS 93 - QD2 LEU 116 OK 22 77 - 28 - 3898=4, 3890/2.1=3...(13) HG2 LYS 24 - QD2 LEU 116 poor 9 89 - 10 - 3890/2.1=1, 10906/2.1=1 HG2 LYS 86 - QD2 LEU 116 lone 7 77 - 8 - 3898=1 Peak 3899 from cnoeabs.peaks (0.99, 1.01, 24.27 ppm; 2.50 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + QD2 LEU 116 OK 100 100 - 100 - 2.1=100 HG12 ILE 136 + QD2 LEU 116 OK 45 100 - 45 - 3899=12, 3883/2.1=5...(15) HB2 LEU 39 - QD2 LEU 116 OK 29 89 - 33 - 3883/2.1=5, 3.0/9376=3...(14) Peak 3900 from cnoeabs.peaks (1.01, 1.01, 24.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 116 + QD2 LEU 116 OK 100 100 - 100 Peak 3901 from cnoeabs.peaks (8.40, 1.01, 24.27 ppm; 4.05 A): 3 out of 4 assignments used, quality = 0.91: * H TYR 117 + QD2 LEU 116 OK 85 100 - 85 - 3901=31, 3.6/3895=23...(15) H GLU 75 + QD2 LEU 116 OK 34 81 - 42 - 3901=14, 3893/2.1=11...(8) H GLY 31 + QD2 LEU 116 OK 12 100 - 11 - 3885/2.1=3, 3893/2.1=3...(4) H SER 103 - QD2 LEU 116 lone 9 100 - 8 - 3885/2.1=2, 3893/2.1=2...(4) Peak 3903 from cnoeabs.peaks (4.75, 4.75, 62.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 117 + HA TYR 117 OK 100 100 - 100 Peak 3908 from cnoeabs.peaks (8.40, 3.45, 37.52 ppm; 4.99 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 117 + HB2 TYR 117 OK 100 100 - 100 - 3.9=100 H GLU 75 - HB2 TYR 117 OK 14 81 - 17 - 5.0/11114=7, 11707/4.5=4...(4) H SER 103 - HB2 TYR 117 lone 7 100 - 6 - 3914/1.8=2, 4.1/9412=2 H GLY 31 - HB2 TYR 117 lone 3 100 - 3 - 3914/1.8=1 Peak 3909 from cnoeabs.peaks (4.75, 3.45, 37.52 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 117 + HB2 TYR 117 OK 100 100 - 100 - 3.0=100 Peak 3910 from cnoeabs.peaks (3.45, 3.45, 37.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 117 + HB2 TYR 117 OK 100 100 - 100 Peak 3911 from cnoeabs.peaks (3.22, 3.45, 37.52 ppm; 4.58 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TYR 117 + HB2 TYR 117 OK 100 100 - 100 - 1.8=100 HG3 MET 46 - HB2 TYR 117 OK 29 100 - 30 - ~8171=5, 7458/3.9=4...(9) HD3 ARG 140 - HB2 TYR 117 OK 17 100 - 16 - 4667/2.7=2, ~4667=2...(5) HD2 ARG 140 - HB2 TYR 117 OK 17 98 - 17 - 4667/2.7=3, ~5667=2...(5) HD3 ARG 124 - HB2 TYR 117 OK 13 100 - 13 - 4667/2.7=3, 9480/10298=2...(5) HD3 ARG 141 - HB2 TYR 117 lone 1 77 - 1 - Peak 3912 from cnoeabs.peaks (7.14, 3.45, 37.52 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.99: * QD TYR 117 + HB2 TYR 117 OK 98 98 - 100 - 2.7=100 QD PHE 106 + HB2 TYR 117 OK 50 100 - 50 - 3918/1.8=13, ~3442=9...(9) Peak 3914 from cnoeabs.peaks (8.40, 3.22, 37.52 ppm; 4.93 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 117 + HB3 TYR 117 OK 100 100 - 100 - 3.9=100 H GLU 75 - HB3 TYR 117 OK 11 81 - 13 - 3908/1.8=4, 11707/4.5=4 H SER 103 - HB3 TYR 117 lone 6 100 - 6 - 3908/1.8=2, 4.1/9413=2 H GLY 31 - HB3 TYR 117 lone 4 100 - 4 - 3908/1.8=1 Peak 3915 from cnoeabs.peaks (4.75, 3.22, 37.52 ppm; 6.37 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 117 + HB3 TYR 117 OK 100 100 - 100 - 3.0=100 Peak 3916 from cnoeabs.peaks (3.45, 3.22, 37.52 ppm; 5.52 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 117 + HB3 TYR 117 OK 100 100 - 100 - 1.8=100 HB3 PHE 45 + HB3 TYR 117 OK 49 77 - 63 - 11047/4.5=29...(10) HA LEU 42 - HB3 TYR 117 OK 40 100 - 41 - 3.9/8151=11, 11701/4.5=7...(7) Peak 3917 from cnoeabs.peaks (3.22, 3.22, 37.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 117 + HB3 TYR 117 OK 100 100 - 100 Peak 3918 from cnoeabs.peaks (7.14, 3.22, 37.52 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.99: * QD TYR 117 + HB3 TYR 117 OK 98 98 - 100 - 2.7=100 QD PHE 106 + HB3 TYR 117 OK 53 100 - 53 - 3912/1.8=14, ~3442=9...(9) Peak 3927 from cnoeabs.peaks (2.09, 3.83, 49.98 ppm; 4.68 A): 5 out of 12 assignments used, quality = 1.00: * HG2 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HD2 PRO 118 OK 94 100 - 94 - 480/1.8=14, ~472=11...(49) HB3 LYS 36 + HD2 PRO 118 OK 70 99 - 71 - 673=12, 3.0/684=8...(25) HG2 PRO 33 + HD2 PRO 118 OK 65 72 - 90 - ~480=12, ~432=9, ~479=9...(45) HB VAL 53 + HD2 PRO 118 OK 57 81 - 70 - ~8245=8, ~1397=6...(28) HB3 GLN 25 - HD2 PRO 118 OK 31 89 - 35 - 3927=3, 3935/1.8=2...(21) HB2 LEU 26 - HD2 PRO 118 OK 20 68 - 30 - ~252=3, 3.0/3930=3...(17) HB3 LYS 61 - HD2 PRO 118 OK 17 72 - 24 - 3.0/11702=17, 3935/1.8=1 HG2 GLU 122 - HD2 PRO 118 OK 16 89 - 18 - 9444/4.6=5, 3927=2...(6) HB2 GLU 131 - HD2 PRO 118 OK 13 100 - 13 - 10322/11045=2...(3) HB3 GLU 142 - HD2 PRO 118 lone 6 85 - 7 - HB2 PRO 129 - HD2 PRO 118 lone 6 85 - 7 - Peak 3928 from cnoeabs.peaks (2.14, 3.83, 49.98 ppm; 4.99 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 GLN 133 + HD2 PRO 118 OK 94 96 - 97 - 3968/2.3=13, ~3968=11...(63) HB3 GLN 133 + HD2 PRO 118 OK 92 94 - 97 - 3968/2.3=13, ~3968=11...(63) HG2 GLU 81 - HD2 PRO 118 OK 42 100 - 42 - ~2466=4, 3928=4...(18) HG2 GLN 111 - HD2 PRO 118 OK 16 92 - 18 - ~3649=3, ~3631=2...(8) Peak 3929 from cnoeabs.peaks (3.83, 3.83, 49.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 118 + HD2 PRO 118 OK 100 100 - 100 Peak 3930 from cnoeabs.peaks (4.06, 3.83, 49.98 ppm; 4.47 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 1.8=100 HD2 PRO 33 + HD2 PRO 118 OK 64 72 - 89 - ~480=10, ~472=9...(42) HA LEU 132 - HD2 PRO 118 OK 42 77 - 55 - 3.6/7684=9, 3978/2.3=5...(24) HA VAL 53 - HD2 PRO 118 OK 39 62 - 63 - ~8245=5, 3970/2.3=5...(32) HA LYS 34 - HD2 PRO 118 OK 33 89 - 38 - 10581/2.3=12, ~6161=4...(13) HA LEU 26 - HD2 PRO 118 OK 27 96 - 28 - 3970/2.3=3, 3978/2.3=3...(13) HA LYS 24 - HD2 PRO 118 OK 18 98 - 19 - 11316/2.3=7, 3970/2.3=2...(6) HA GLU 90 - HD2 PRO 118 poor 8 77 - 11 - 3978/2.3=1, ~7032=1 Peak 3934 from cnoeabs.peaks (2.42, 4.06, 49.98 ppm; 6.80 A): 7 out of 7 assignments used, quality = 1.00: * HB3 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 3.0=100 HG3 GLN 133 + HD3 PRO 118 OK 97 100 - 97 - ~3968=13, 2.9/3936=12...(54) HG2 GLN 133 + HD3 PRO 118 OK 97 100 - 97 - ~3968=13, 2.9/3936=12...(54) QE MET 46 + HD3 PRO 118 OK 80 100 - 81 - 10478/4.8=21...(26) HG2 GLN 47 + HD3 PRO 118 OK 57 94 - 60 - 3.0/10981=9, 3974/2.3=4...(29) HG3 GLN 47 + HD3 PRO 118 OK 57 94 - 60 - 3.0/10981=9, 3974/2.3=4...(29) HG2 MET 68 + HD3 PRO 118 OK 57 77 - 74 - ~1960=8, ~1984=8...(33) Peak 3935 from cnoeabs.peaks (2.09, 4.06, 49.98 ppm; 5.06 A): 5 out of 12 assignments used, quality = 1.00: * HG2 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HD3 PRO 118 OK 95 100 - 95 - 480=14, 1.8/472=13...(47) HB3 LYS 36 + HD3 PRO 118 OK 71 99 - 72 - 673/1.8=12, ~684=7...(22) HG2 PRO 33 + HD3 PRO 118 OK 67 72 - 92 - 1.8/480=14, 2.3/432=12...(42) HB VAL 53 + HD3 PRO 118 OK 61 81 - 74 - ~8245=9, ~8245=7...(29) HB3 GLN 25 - HD3 PRO 118 OK 36 89 - 41 - 3927/1.8=3, 215/3.0=3...(23) HB2 LEU 26 - HD3 PRO 118 OK 27 68 - 40 - 1.8/252=5, 3.2/268=3...(21) HG2 GLU 122 - HD3 PRO 118 OK 19 89 - 21 - 9444/4.6=5, 3943/3.6=2...(10) HB3 LYS 61 - HD3 PRO 118 OK 17 72 - 23 - ~11702=14, 3927/1.8=2, ~1652=1 HB2 GLU 131 - HD3 PRO 118 OK 17 100 - 17 - 4.6/7665=3...(4) HB2 PRO 129 - HD3 PRO 118 lone 7 85 - 8 - HB3 GLU 142 - HD3 PRO 118 lone 7 85 - 8 - Peak 3936 from cnoeabs.peaks (2.14, 4.06, 49.98 ppm; 5.82 A): 4 out of 5 assignments used, quality = 1.00: * HG3 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 GLN 133 + HD3 PRO 118 OK 95 96 - 99 - 3968/2.3=13, 3928/1.8=13...(67) HB3 GLN 133 + HD3 PRO 118 OK 93 94 - 99 - 3968/2.3=13, 3928/1.8=13...(67) HG2 GLU 81 + HD3 PRO 118 OK 45 100 - 45 - 3928/1.8=6, ~2466=5...(17) HG2 GLN 111 - HD3 PRO 118 OK 19 92 - 20 - ~3649=3, ~3631=3...(8) Peak 3937 from cnoeabs.peaks (3.83, 4.06, 49.98 ppm; 5.26 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 1.8=100 HA GLN 133 + HD3 PRO 118 OK 92 99 - 93 - 3977/2.3=15, 3969/2.3=13...(41) HA MET 68 - HD3 PRO 118 OK 41 72 - 57 - ~6663=10, 3937=7...(23) HB2 SER 100 - HD3 PRO 118 OK 36 100 - 36 - 3969/2.3=4, 3977/2.3=4...(10) HA LEU 66 - HD3 PRO 118 OK 22 98 - 23 - ~6637=3, ~1891=3...(9) HA3 GLY 50 - HD3 PRO 118 OK 17 92 - 18 - ~8190=5, ~1303=2...(7) HA ALA 104 - HD3 PRO 118 OK 13 81 - 15 - 11049/3.6=2, 3977/2.3=1...(7) HB2 SER 127 - HD3 PRO 118 poor 8 68 - 12 - ~4326=1, ~4316=1, ~4326=1 Peak 3938 from cnoeabs.peaks (4.06, 4.06, 49.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 118 + HD3 PRO 118 OK 100 100 - 100 Peak 3940 from cnoeabs.peaks (4.28, 4.28, 66.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 118 + HA PRO 118 OK 100 100 - 100 Peak 3941 from cnoeabs.peaks (1.92, 4.28, 66.72 ppm; 3.97 A): 2 out of 12 assignments used, quality = 1.00: * HB2 PRO 118 + HA PRO 118 OK 100 100 - 100 - 2.3=100 HB2 ARG 140 + HA PRO 118 OK 70 96 - 73 - 1.8/4724=8, 2.9/4742=8...(41) HB ILE 136 - HA PRO 118 OK 45 89 - 50 - 2.1/10329=6, 4602/3.6=4...(25) HB3 LEU 132 - HA PRO 118 OK 39 100 - 39 - 7463/3.6=5, 3957/2.3=4...(19) HB2 ARG 89 - HA PRO 118 OK 39 77 - 51 - 1.8/2867=6, 2.8/2883=5...(26) HG2 PRO 12 - HA PRO 118 OK 35 98 - 36 - ~8001=5, 10666/2.3=5...(20) HG3 PRO 12 - HA PRO 118 OK 35 100 - 35 - ~8001=5, ~10666=3...(19) HB2 LYS 86 - HA PRO 118 OK 12 98 - 12 - 3957/2.3=1 QE MET 68 - HA PRO 118 OK 12 68 - 18 - 8420=3, 1992/3.6=2...(9) HG13 ILE 83 - HA PRO 118 OK 11 94 - 11 - HB2 MET 59 - HA PRO 118 lone 6 100 - 6 - HB2 GLN 62 - HA PRO 118 lone 5 98 - 5 - Peak 3942 from cnoeabs.peaks (2.42, 4.28, 66.72 ppm; 3.84 A): 4 out of 7 assignments used, quality = 1.00: * HB3 PRO 118 + HA PRO 118 OK 100 100 - 100 - 2.3=100 HG3 GLN 133 + HA PRO 118 OK 57 100 - 57 - 2.9/3944=7, 2.9/3944=6...(24) HG2 GLN 133 + HA PRO 118 OK 56 100 - 57 - 2.9/3944=7, 2.9/3944=6...(24) QE MET 46 + HA PRO 118 OK 47 100 - 47 - 4.2/9415=12...(18) HG2 MET 68 - HA PRO 118 OK 21 77 - 27 - 3.3/8420=3, ~1989=2...(14) HG2 GLN 47 - HA PRO 118 OK 18 94 - 19 - 3950/2.3=2, 3966/3.8=2...(8) HG3 GLN 47 - HA PRO 118 OK 18 94 - 19 - 3950/2.3=2, 3966/3.8=2...(8) Peak 3943 from cnoeabs.peaks (2.09, 4.28, 66.72 ppm; 4.21 A): 2 out of 12 assignments used, quality = 1.00: * HG2 PRO 118 + HA PRO 118 OK 100 100 - 100 - 3.8=100 HG3 PRO 33 + HA PRO 118 OK 56 100 - 56 - 480/3.6=10, 3959/2.3=8...(16) HB VAL 53 - HA PRO 118 OK 30 81 - 37 - ~8245=8, ~8245=6...(13) HG2 PRO 33 - HA PRO 118 OK 30 72 - 41 - 472/3.6=6, ~3959=5...(14) HB3 LYS 36 - HA PRO 118 OK 28 99 - 28 - 673/3.6=7, 3943=5...(7) HB3 GLN 25 - HA PRO 118 OK 17 89 - 19 - 3943=2, 215/2.3=2...(11) HG2 GLU 122 - HA PRO 118 OK 15 89 - 17 - 7465/3.6=7, 3943=2...(4) HB2 LEU 26 - HA PRO 118 lone 6 68 - 9 - 3959/2.3=1, 244/3.6=1 HB2 GLU 131 - HA PRO 118 lone 6 100 - 6 - 7465/3.6=1 HB3 LYS 61 - HA PRO 118 lone 3 72 - 5 - HB2 PRO 129 - HA PRO 118 lone 3 85 - 3 - HB3 GLU 142 - HA PRO 118 lone 3 85 - 3 - Peak 3944 from cnoeabs.peaks (2.14, 4.28, 66.72 ppm; 4.50 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 118 + HA PRO 118 OK 100 100 - 100 - 3.8=100 HB2 GLN 133 + HA PRO 118 OK 82 96 - 85 - 3944=12, 1.8/3944=11...(31) HB3 GLN 133 + HA PRO 118 OK 80 94 - 85 - 3944=12, 1.8/3944=11...(31) HG2 GLU 81 - HA PRO 118 OK 21 100 - 21 - 3960/2.3=4, 3928/3.6=3...(9) HG2 GLN 111 - HA PRO 118 OK 12 92 - 13 - 7466/3.6=3, 3960/2.3=2...(5) Peak 3947 from cnoeabs.peaks (7.86, 4.28, 66.72 ppm; 5.39 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 119 + HA PRO 118 OK 100 100 - 100 - 3.6=100 H ALA 135 + HA PRO 118 OK 57 100 - 57 - 11551/3.8=14...(13) H ARG 55 - HA PRO 118 lone 1 62 - 2 - Peak 3948 from cnoeabs.peaks (4.28, 1.92, 30.04 ppm; 3.09 A): 3 out of 16 assignments used, quality = 1.00: * HA PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 2.3=100 HA ARG 140 + HB2 ARG 140 OK 82 82 - 100 - 3.0=100 HA ARG 140 + HB2 PRO 118 OK 45 99 - 46 - 4705=7, 3956/1.8=5...(25) HA PRO 118 - HB2 ARG 140 OK 43 85 - 51 - 4724/1.8=6, 4742/2.9=5...(27) HA ARG 89 - HB2 ARG 140 OK 38 55 - 68 - 4724/1.8=9, 4742/2.9=7...(40) HA ARG 89 - HB2 PRO 118 OK 19 72 - 26 - 3.0/2868=2, 2850=2...(11) HA ARG 49 - HB2 ARG 140 OK 19 73 - 26 - 4742/2.9=4, 4724/1.8=3...(8) HA LEU 95 - HB2 ARG 140 poor 9 70 - 12 - 4733/2.9=1, 4724/1.8=1 HA3 GLY 78 - HB2 ARG 140 lone 8 85 - 10 - ~8691=2, 4724/1.8=1, 4742/2.9=1 HA ARG 49 - HB2 PRO 118 lone 7 92 - 7 - 3956/1.8=1 HA3 GLY 78 - HB2 PRO 118 lone 5 100 - 5 - HA LEU 95 - HB2 PRO 118 lone 5 89 - 5 - 11414/1.8=1 HB THR 99 - HB2 ARG 140 lone 4 47 - 9 - ~9152=2, ~10157=2, ~9152=1 HB THR 99 - HB2 PRO 118 lone 3 62 - 6 - 4.4/9166=1, ~10160=1 HA THR 18 - HB2 PRO 118 lone 2 89 - 2 - HA THR 18 - HB2 ARG 140 lone 1 70 - 1 - Peak 3949 from cnoeabs.peaks (1.92, 1.92, 30.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 118 + HB2 PRO 118 OK 100 100 - 100 HB2 ARG 140 + HB2 ARG 140 OK 79 79 - 100 Peak 3950 from cnoeabs.peaks (2.42, 1.92, 30.04 ppm; 4.25 A): 5 out of 14 assignments used, quality = 1.00: * HB3 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 1.8=100 HG3 GLN 133 + HB2 PRO 118 OK 87 100 - 87 - 4.0/4528=8, 3966/2.3=8...(52) HG2 GLN 133 + HB2 PRO 118 OK 87 100 - 87 - 4.0/4528=8, 3966/2.3=8...(52) HB3 PRO 118 + HB2 ARG 140 OK 71 85 - 83 - 3956/3.0=8, 3957=7...(47) QE MET 46 + HB2 PRO 118 OK 50 100 - 50 - 10489/2.3=16, 3942/2.3=6...(16) HG2 GLN 47 - HB2 PRO 118 OK 37 94 - 39 - 3966/2.3=3, 3974/2.3=3...(15) HG3 GLN 47 - HB2 PRO 118 OK 37 94 - 39 - 3966/2.3=3, 3974/2.3=3...(15) HG2 MET 68 - HB2 PRO 118 OK 34 77 - 45 - ~1984=4, 3966/2.3=3...(23) QE MET 46 - HB2 ARG 140 OK 21 85 - 24 - 1087/3.4=3, 10684/4.0=3...(6) HG2 MET 68 - HB2 ARG 140 OK 14 59 - 24 - 2.9/1965=3, 1.8/1989=2...(5) HG2 GLN 47 - HB2 ARG 140 OK 11 76 - 14 - ~10474=4, 4.9/4713=2...(4) HG3 GLN 47 - HB2 ARG 140 OK 11 76 - 14 - ~10474=4, 4.9/4713=2...(4) HG2 GLN 133 - HB2 ARG 140 lone 7 84 - 8 - HG3 GLN 133 - HB2 ARG 140 lone 7 85 - 8 - Peak 3951 from cnoeabs.peaks (2.09, 1.92, 30.04 ppm; 3.11 A): 2 out of 24 assignments used, quality = 1.00: * HG2 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HB2 PRO 118 OK 66 100 - 66 - 3975/2.3=7, 480/3.0=7...(47) HG2 PRO 33 - HB2 PRO 118 OK 42 72 - 58 - 3975/2.3=5, 472/3.0=4...(41) HG2 PRO 118 - HB2 ARG 140 OK 39 85 - 45 - 3965=5, 1.8/3973=5...(26) HB VAL 53 - HB2 PRO 118 OK 33 81 - 41 - ~8245=5, ~8245=4...(25) HB3 LYS 36 - HB2 PRO 118 OK 32 99 - 32 - 673/3.0=4, 3975/2.3=4...(21) HB3 GLN 25 - HB2 PRO 118 OK 16 89 - 18 - 4.4/11031=2, 3959/1.8=1...(5) HB2 LEU 26 - HB2 PRO 118 poor 9 68 - 13 - ~252=1 HG2 GLU 122 - HB2 PRO 118 lone 8 89 - 9 - 7465/4.3=3 HB2 GLU 131 - HB2 PRO 118 lone 6 100 - 6 - 4.6/7667=1 HB3 LYS 61 - HB2 PRO 118 lone 5 72 - 7 - ~11702=3 HB3 GLU 142 - HB2 ARG 140 lone 3 67 - 5 - 4845/4.7=2, 4.0/4721=2 HB3 LYS 36 - HB2 ARG 140 lone 3 82 - 4 - HB2 PRO 129 - HB2 PRO 118 lone 3 85 - 3 - HB3 GLU 142 - HB2 PRO 118 lone 3 85 - 3 - HG3 PRO 33 - HB2 ARG 140 lone 2 85 - 2 - HB2 LEU 26 - HB2 ARG 140 lone 1 51 - 2 - HB2 GLU 131 - HB2 ARG 140 lone 1 85 - 1 - HB VAL 53 - HB2 ARG 140 lone 1 63 - 2 - HG2 PRO 33 - HB2 ARG 140 lone 1 55 - 2 - HG2 GLU 122 - HB2 ARG 140 lone 1 70 - 1 - HB2 PRO 129 - HB2 ARG 140 lone 1 67 - 1 - HB3 GLN 25 - HB2 ARG 140 lone 0 70 - 1 - HB3 LYS 61 - HB2 ARG 140 lone 0 55 - 1 - Peak 3952 from cnoeabs.peaks (2.14, 1.92, 30.04 ppm; 3.85 A): 4 out of 10 assignments used, quality = 1.00: * HG3 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 GLN 133 + HB2 PRO 118 OK 88 96 - 91 - 3968/2.3=11, 3.0/4528=8...(69) HB3 GLN 133 + HB2 PRO 118 OK 86 94 - 91 - 3968/2.3=11, 3.0/4528=8...(69) HG3 PRO 118 + HB2 ARG 140 OK 54 85 - 63 - 3973=7, 1.8/3965=6...(36) HG2 GLU 81 - HB2 PRO 118 OK 27 100 - 27 - 3960/1.8=3, 3968/2.3=3...(13) HG2 GLN 111 - HB2 ARG 140 OK 20 73 - 27 - 3.9/10374=8, 11485/2.9=4...(8) HG2 GLN 111 - HB2 PRO 118 OK 14 92 - 15 - 3.9/10374=3, 7466/4.3=2...(6) HG2 GLU 81 - HB2 ARG 140 poor 9 84 - 10 - 3.0/4718=1 HB2 GLN 133 - HB2 ARG 140 lone 6 79 - 8 - HB3 GLN 133 - HB2 ARG 140 lone 6 76 - 7 - Peak 3954 from cnoeabs.peaks (4.06, 1.92, 30.04 ppm; 5.34 A): 5 out of 16 assignments used, quality = 1.00: * HD3 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 3.0=100 HD3 PRO 118 + HB2 ARG 140 OK 70 85 - 82 - 3.6/3941=7, ~3964=7...(38) HD2 PRO 33 + HB2 PRO 118 OK 68 72 - 94 - ~3975=11, 2.3/3951=10...(45) HA LEU 132 + HB2 PRO 118 OK 57 77 - 74 - 3.6/7680=10, 4.9/4528=9...(28) HA VAL 53 + HB2 PRO 118 OK 48 62 - 77 - ~8245=10, ~8245=8...(33) HA LYS 34 - HB2 PRO 118 OK 40 89 - 46 - 10581/2.3=14, 3970/2.3=4...(14) HA LEU 26 - HB2 PRO 118 OK 33 96 - 35 - 3978/2.3=3, 3970/2.3=3...(15) HA LYS 24 - HB2 PRO 118 OK 24 98 - 25 - 11316/2.3=11, 3970/2.3=2...(7) HA GLU 90 - HB2 PRO 118 OK 16 77 - 21 - 4.9/2850=3, ~7031=3...(8) HA GLU 90 - HB2 ARG 140 OK 16 59 - 27 - 4.9/2850=6, 2.9/7032=4...(7) HA LYS 24 - HB2 ARG 140 OK 11 81 - 13 - ~10881=1, 11317/1.8=1, ~11328=1 HA LEU 132 - HB2 ARG 140 OK 11 59 - 18 - 3.6/7680=1, 4.0/4513=1...(4) HA LEU 26 - HB2 ARG 140 lone 6 79 - 8 - 238/2.9=2 HA VAL 53 - HB2 ARG 140 lone 3 47 - 7 - 9846/1.8=1 HA LYS 34 - HB2 ARG 140 lone 3 70 - 4 - HD2 PRO 33 - HB2 ARG 140 lone 3 55 - 6 - Peak 3956 from cnoeabs.peaks (4.28, 2.42, 30.04 ppm; 4.32 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 2.3=100 HA ARG 140 + HB3 PRO 118 OK 65 99 - 66 - 3972/2.3=8, 3964/2.3=8...(30) HA ARG 89 - HB3 PRO 118 OK 28 72 - 38 - ~2859=4, 3972/2.3=4...(18) HA ARG 49 - HB3 PRO 118 OK 15 92 - 16 - 3.6/8190=5, 3972/2.3=2...(5) HA3 GLY 78 - HB3 PRO 118 lone 9 100 - 9 - 7462/4.3=2, ~11552=1, ~2349=1 HA LEU 95 - HB3 PRO 118 lone 9 89 - 10 - 11414=2, 4.0/9071=1 HB THR 99 - HB3 PRO 118 lone 5 62 - 9 - ~10160=2, ~10119=2 HA THR 18 - HB3 PRO 118 lone 4 89 - 4 - Peak 3957 from cnoeabs.peaks (1.92, 2.42, 30.04 ppm; 4.35 A): 6 out of 12 assignments used, quality = 1.00: * HB2 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 1.8=100 HB2 ARG 140 + HB3 PRO 118 OK 81 96 - 84 - 3.0/3956=9, 3941/2.3=7...(47) HB3 LEU 132 + HB3 PRO 118 OK 66 100 - 66 - 3.8/7688=7, 3973/2.3=6...(36) HB ILE 136 + HB3 PRO 118 OK 65 89 - 73 - ~9667=9, ~9667=7...(32) HG2 PRO 12 + HB3 PRO 118 OK 49 98 - 51 - 2.3/8001=9, 11051=5...(26) HG3 PRO 12 + HB3 PRO 118 OK 46 100 - 47 - 2.3/8001=9, 11051=4...(22) HB2 ARG 89 - HB3 PRO 118 OK 44 77 - 58 - 2859/2.3=5, ~2867=5...(32) QE MET 68 - HB3 PRO 118 OK 25 68 - 37 - 8420/2.3=3, 1992/3.0=3...(23) HB2 LYS 86 - HB3 PRO 118 OK 17 98 - 17 - ~2694=1, 3941/2.3=1...(8) HG13 ILE 83 - HB3 PRO 118 OK 15 94 - 16 - ~10031=3, ~10010=1...(6) HB2 MET 59 - HB3 PRO 118 lone 10 100 - 10 - HB2 GLN 62 - HB3 PRO 118 lone 6 98 - 6 - Peak 3958 from cnoeabs.peaks (2.42, 2.42, 30.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 118 + HB3 PRO 118 OK 100 100 - 100 Peak 3959 from cnoeabs.peaks (2.09, 2.42, 30.04 ppm; 3.81 A): 4 out of 12 assignments used, quality = 1.00: * HG2 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HB3 PRO 118 OK 83 100 - 83 - 480/3.0=10, 3975/2.3=9...(51) HG2 PRO 33 + HB3 PRO 118 OK 55 72 - 76 - 3975/2.3=6, ~480=6...(46) HB3 LYS 36 + HB3 PRO 118 OK 48 99 - 49 - 673/3.0=7, 3975/2.3=5...(23) HB VAL 53 - HB3 PRO 118 OK 44 81 - 54 - 2.1/8245=7, 2.1/9847=6...(27) HB3 GLN 25 - HB3 PRO 118 OK 23 89 - 26 - 3951/1.8=2, 3975/2.3=2...(15) HB2 LEU 26 - HB3 PRO 118 OK 13 68 - 19 - ~252=2, ~253=1...(8) HG2 GLU 122 - HB3 PRO 118 OK 12 89 - 14 - 7465/4.3=5, 3943/2.3=1 HB3 LYS 61 - HB3 PRO 118 poor 8 72 - 11 - ~11702=6 HB2 GLU 131 - HB3 PRO 118 lone 8 100 - 8 - HB2 PRO 129 - HB3 PRO 118 lone 4 85 - 4 - HB3 GLU 142 - HB3 PRO 118 lone 3 85 - 4 - Peak 3960 from cnoeabs.peaks (2.14, 2.42, 30.04 ppm; 4.47 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 GLN 133 + HB3 PRO 118 OK 91 96 - 95 - 3968/2.3=13, 3944/2.3=10...(63) HB3 GLN 133 + HB3 PRO 118 OK 90 94 - 95 - 3968/2.3=13, 3944/2.3=10...(63) HG2 GLU 81 - HB3 PRO 118 OK 34 100 - 33 - ~2466=4, 3928/3.0=3...(16) HG2 GLN 111 - HB3 PRO 118 OK 15 92 - 16 - 7466/4.3=3, ~3649=2...(9) Peak 3961 from cnoeabs.peaks (3.83, 2.42, 30.04 ppm; 6.52 A): 4 out of 8 assignments used, quality = 1.00: * HD2 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB3 PRO 118 OK 96 99 - 97 - 11049/2.3=19...(37) HB2 SER 100 + HB3 PRO 118 OK 49 100 - 49 - 9163/1.8=7, 3.0/3956=6...(14) HA MET 68 + HB3 PRO 118 OK 48 72 - 66 - ~6663=11, 3977/2.3=8...(25) HA3 GLY 50 - HB3 PRO 118 OK 33 92 - 36 - 3.6/8217=10, 2.9/8190=9...(12) HA LEU 66 - HB3 PRO 118 OK 28 98 - 29 - ~6637=3, ~1891=3...(9) HA ALA 104 - HB3 PRO 118 OK 16 81 - 20 - 11049/2.3=2, 7467/4.3=2...(9) HB2 SER 127 - HB3 PRO 118 OK 11 68 - 16 - ~4316=2, ~4326=2...(6) Peak 3962 from cnoeabs.peaks (4.06, 2.42, 30.04 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: * HD3 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 3.0=100 HD2 PRO 33 + HB3 PRO 118 OK 71 72 - 98 - ~3975=13, ~480=13...(47) HA LEU 132 + HB3 PRO 118 OK 60 77 - 78 - 7468/4.3=11, 3.6/7688=10...(25) HA LYS 34 + HB3 PRO 118 OK 56 89 - 63 - 10581/2.3=15...(19) HA VAL 53 + HB3 PRO 118 OK 53 62 - 85 - 3.2/9847=11, ~11712=10...(34) HA LEU 26 - HB3 PRO 118 OK 43 96 - 44 - 3930/3.0=4, ~252=4...(19) HA LYS 24 - HB3 PRO 118 OK 37 98 - 37 - 11316/2.3=13...(11) HA GLU 90 - HB3 PRO 118 OK 22 77 - 29 - 4.9/3956=7, ~7031=4...(10) Peak 3964 from cnoeabs.peaks (4.28, 2.09, 28.90 ppm; 6.77 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 3.8=100 HA ARG 140 + HG2 PRO 118 OK 79 99 - 81 - 3964=14, 3972/1.8=14...(22) HA ARG 89 - HG2 PRO 118 OK 34 72 - 47 - 3956/2.3=8, 3964=7...(14) HA ARG 49 - HG2 PRO 118 OK 24 92 - 26 - 5.2/11552=9, 6.4/11687=5...(4) HA3 GLY 78 - HG2 PRO 118 OK 16 100 - 16 - 1.8/11552=5, 3972/1.8=2...(4) HA LEU 95 - HG2 PRO 118 OK 12 89 - 14 - 11414/2.3=5, 3972/1.8=2 HB THR 99 - HG2 PRO 118 OK 10 62 - 17 - ~10160=6, ~10119=4...(5) HA THR 18 - HG2 PRO 118 lone 6 89 - 6 - 3.2/10865=1 Peak 3965 from cnoeabs.peaks (1.92, 2.09, 28.90 ppm; 3.40 A): 3 out of 12 assignments used, quality = 1.00: * HB2 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 ARG 140 + HG2 PRO 118 OK 51 96 - 53 - 3951=7, 3973/1.8=5...(28) HB3 LEU 132 + HG2 PRO 118 OK 46 100 - 46 - 3973/1.8=5, 3965=3...(31) HB ILE 136 - HG2 PRO 118 OK 45 89 - 51 - ~9667=6, ~9667=5...(26) HG2 PRO 12 - HG2 PRO 118 OK 30 98 - 30 - ~8001=3, 10666/2.3=3...(14) HG3 PRO 12 - HG2 PRO 118 OK 28 100 - 28 - ~8001=3, 3973/1.8=3...(14) HB2 ARG 89 - HG2 PRO 118 OK 22 77 - 29 - 2859/3.8=2, 3965=2...(14) QE MET 68 - HG2 PRO 118 OK 15 68 - 22 - 1992/2.3=2, 4.6/3969=2...(11) HB2 LYS 86 - HG2 PRO 118 lone 9 98 - 9 - HG13 ILE 83 - HG2 PRO 118 lone 9 94 - 10 - ~10031=2 HB2 MET 59 - HG2 PRO 118 lone 5 100 - 5 - HB2 GLN 62 - HG2 PRO 118 lone 4 98 - 4 - Peak 3966 from cnoeabs.peaks (2.42, 2.09, 28.90 ppm; 3.89 A): 4 out of 7 assignments used, quality = 1.00: * HB3 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 GLN 133 + HG2 PRO 118 OK 78 100 - 78 - 2.9/3968=10, 2.9/3968=10...(46) HG2 GLN 133 + HG2 PRO 118 OK 78 100 - 78 - 2.9/3968=10, 2.9/3968=10...(46) QE MET 46 + HG2 PRO 118 OK 48 100 - 48 - 10489=18, 1086/2.3=4...(19) HG2 MET 68 - HG2 PRO 118 OK 32 77 - 42 - ~1984=4, 3.7/3969=3...(24) HG2 GLN 47 - HG2 PRO 118 OK 29 94 - 30 - 3974/1.8=2, ~10981=2...(10) HG3 GLN 47 - HG2 PRO 118 OK 29 94 - 30 - 3974/1.8=2, ~10981=2...(10) Peak 3967 from cnoeabs.peaks (2.09, 2.09, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 118 + HG2 PRO 118 OK 100 100 - 100 Peak 3968 from cnoeabs.peaks (2.14, 2.09, 28.90 ppm; 2.90 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 1.8=100 HB2 GLN 133 + HG2 PRO 118 OK 67 96 - 70 - 3968=8, 1.8/3968=7...(47) HB3 GLN 133 + HG2 PRO 118 OK 66 94 - 70 - 3968=8, 1.8/3968=7...(47) HG2 GLU 81 - HG2 PRO 118 OK 17 100 - 17 - 3968=2, ~2466=2, ~2466=2...(7) HG2 GLN 111 - HG2 PRO 118 lone 5 92 - 6 - Peak 3969 from cnoeabs.peaks (3.83, 2.09, 28.90 ppm; 4.43 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HA GLN 133 + HG2 PRO 118 OK 86 99 - 87 - 3977/1.8=13, 4528/2.3=12...(38) HA MET 68 - HG2 PRO 118 OK 34 72 - 47 - ~6663=6, 3969=6...(22) HB2 SER 100 - HG2 PRO 118 OK 28 100 - 27 - 3977/1.8=4, 3.0/3964=4...(10) HA LEU 66 - HG2 PRO 118 OK 14 98 - 14 - 3977/1.8=2, ~6637=2...(7) HA3 GLY 50 - HG2 PRO 118 OK 12 92 - 13 - ~8190=4, 3977/1.8=2...(7) HA ALA 104 - HG2 PRO 118 lone 7 81 - 9 - 3977/1.8=1, 3937/2.3=1 HB2 SER 127 - HG2 PRO 118 lone 6 68 - 8 - ~4326=1 Peak 3970 from cnoeabs.peaks (4.06, 2.09, 28.90 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HD2 PRO 33 + HG2 PRO 118 OK 54 72 - 75 - 1.8/3970=7, ~3975=6...(38) HA VAL 53 - HG2 PRO 118 OK 31 62 - 50 - ~8245=4, 3.2/1398=3...(30) HA LEU 132 - HG2 PRO 118 OK 29 77 - 37 - 4.9/3969=4, 2.9/3965=4...(19) HA LYS 34 - HG2 PRO 118 OK 25 89 - 28 - 10581/1.8=10, 3.0/6160=3...(9) HA LEU 26 - HG2 PRO 118 OK 19 96 - 20 - 3978/1.8=2, 3930/2.3=2...(7) HA LYS 24 - HG2 PRO 118 OK 13 98 - 13 - 11316/1.8=5, 3930/2.3=1 HA GLU 90 - HG2 PRO 118 lone 6 77 - 8 - 4.9/3964=2 Peak 3972 from cnoeabs.peaks (4.28, 2.14, 28.90 ppm; 5.72 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 3.8=100 HA ARG 140 + HG3 PRO 118 OK 70 99 - 71 - 3956/2.3=13, 3964/1.8=13...(21) HA ARG 89 - HG3 PRO 118 OK 27 72 - 38 - 3956/2.3=7, 3964/1.8=6...(12) HA ARG 49 - HG3 PRO 118 OK 19 92 - 21 - 5.2/10983=11, 3956/2.3=3 HA3 GLY 78 - HG3 PRO 118 OK 12 100 - 12 - ~11552=3, 2352/10983=2...(4) HA LEU 95 - HG3 PRO 118 lone 9 89 - 10 - 11414/2.3=3, 3964/1.8=1 HB THR 99 - HG3 PRO 118 poor 9 62 - 14 - ~10160=5, ~10119=3...(5) HA THR 18 - HG3 PRO 118 lone 5 89 - 5 - ~10865=2 Peak 3973 from cnoeabs.peaks (1.92, 2.14, 28.90 ppm; 3.09 A): 1 out of 12 assignments used, quality = 1.00: * HB2 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 ARG 140 - HG3 PRO 118 OK 42 96 - 43 - 3965/1.8=4, 3952=3...(25) HB3 LEU 132 - HG3 PRO 118 OK 38 100 - 39 - 3.8/7685=4, 3965/1.8=4...(22) HB ILE 136 - HG3 PRO 118 OK 37 89 - 42 - ~9667=5, ~9667=4...(21) HG2 PRO 12 - HG3 PRO 118 OK 23 98 - 24 - ~8001=3, 10666/2.3=3...(9) HG3 PRO 12 - HG3 PRO 118 OK 22 100 - 22 - ~8001=3, 3965/1.8=2...(9) HB2 ARG 89 - HG3 PRO 118 OK 17 77 - 22 - 2859/3.8=2, 3965/1.8=2...(9) QE MET 68 - HG3 PRO 118 OK 12 68 - 18 - 1992/2.3=2, 4.6/3977=1...(7) HB2 LYS 86 - HG3 PRO 118 lone 7 98 - 7 - HG13 ILE 83 - HG3 PRO 118 lone 7 94 - 7 - ~10031=1 HB2 MET 59 - HG3 PRO 118 lone 4 100 - 4 - HB2 GLN 62 - HG3 PRO 118 lone 3 98 - 3 - Peak 3974 from cnoeabs.peaks (2.42, 2.14, 28.90 ppm; 4.46 A): 4 out of 7 assignments used, quality = 1.00: * HB3 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 GLN 133 + HG3 PRO 118 OK 85 100 - 85 - 4.0/3977=9, 3966/1.8=9...(45) HG2 GLN 133 + HG3 PRO 118 OK 85 100 - 86 - 4.0/3977=9, 3966/1.8=9...(45) QE MET 46 + HG3 PRO 118 OK 50 100 - 50 - 10489/1.8=18, 3942/3.8=5...(17) HG2 MET 68 - HG3 PRO 118 OK 40 77 - 51 - ~1984=5, 3.7/3977=4...(26) HG2 GLN 47 - HG3 PRO 118 OK 34 94 - 36 - 3966/1.8=3, ~10981=3...(17) HG3 GLN 47 - HG3 PRO 118 OK 34 94 - 36 - 3966/1.8=3, ~10981=3...(17) Peak 3975 from cnoeabs.peaks (2.09, 2.14, 28.90 ppm; 2.59 A): 2 out of 12 assignments used, quality = 1.00: * HG2 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 1.8=100 HG3 PRO 33 + HG3 PRO 118 OK 52 100 - 52 - 480/2.3=6, 3951/2.3=4...(35) HG2 PRO 33 - HG3 PRO 118 OK 34 72 - 47 - 472/2.3=3, ~480=3...(32) HB3 LYS 36 - HG3 PRO 118 OK 23 99 - 24 - 673/2.3=3, 3951/2.3=2...(15) HB VAL 53 - HG3 PRO 118 OK 22 81 - 28 - ~8245=3, ~8245=2...(16) HB3 GLN 25 - HG3 PRO 118 poor 9 89 - 10 - HB2 LEU 26 - HG3 PRO 118 lone 6 68 - 9 - HG2 GLU 122 - HG3 PRO 118 lone 4 89 - 4 - HB3 LYS 61 - HG3 PRO 118 lone 4 72 - 5 - ~11702=3 HB2 GLU 131 - HG3 PRO 118 lone 3 100 - 3 - HB3 GLU 142 - HG3 PRO 118 lone 2 85 - 2 - HB2 PRO 129 - HG3 PRO 118 lone 2 85 - 2 - Peak 3976 from cnoeabs.peaks (2.14, 2.14, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 118 + HG3 PRO 118 OK 100 100 - 100 Peak 3977 from cnoeabs.peaks (3.83, 2.14, 28.90 ppm; 3.97 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HA GLN 133 + HG3 PRO 118 OK 82 99 - 83 - 4528/2.3=10, 4521=10...(41) HA MET 68 - HG3 PRO 118 OK 28 72 - 38 - ~6663=5, 3969/1.8=4...(19) HB2 SER 100 - HG3 PRO 118 OK 23 100 - 23 - 3969/1.8=3, 3.0/3972=3...(10) HA LEU 66 - HG3 PRO 118 OK 12 98 - 12 - 3969/1.8=2, ~6637=2...(6) HA3 GLY 50 - HG3 PRO 118 poor 10 92 - 11 - ~8190=3, ~1303=1...(5) HA ALA 104 - HG3 PRO 118 lone 8 81 - 9 - HB2 SER 127 - HG3 PRO 118 lone 5 68 - 7 - Peak 3978 from cnoeabs.peaks (4.06, 2.14, 28.90 ppm; 4.23 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HD2 PRO 33 + HG3 PRO 118 OK 63 72 - 87 - 2.3/3975=12, 2.3/3975=10...(43) HA LEU 132 - HG3 PRO 118 OK 40 77 - 51 - 3.6/7685=7, 4.9/3977=6...(22) HA VAL 53 - HG3 PRO 118 OK 38 62 - 60 - ~8245=6, 3970/1.8=5...(31) HA LYS 34 - HG3 PRO 118 OK 33 89 - 37 - 10581=14, 3970/1.8=4...(13) HA LEU 26 - HG3 PRO 118 OK 24 96 - 25 - 3970/1.8=3, 3930/2.3=3...(12) HA LYS 24 - HG3 PRO 118 OK 18 98 - 18 - 11316=7, 3970/1.8=2...(7) HA GLU 90 - HG3 PRO 118 poor 9 77 - 11 - 4.9/3972=2, ~7032=1 Peak 3980 from cnoeabs.peaks (7.86, 3.08, 61.73 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 119 + HA TYR 119 OK 100 100 - 100 - 2.8=100 H ALA 135 - HA TYR 119 OK 32 100 - 32 - 3990/3.0=5, 2.9/3988=4...(10) H ARG 55 - HA TYR 119 lone 1 62 - 1 - Peak 3981 from cnoeabs.peaks (3.08, 3.08, 61.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 119 + HA TYR 119 OK 100 100 - 100 Peak 3982 from cnoeabs.peaks (2.90, 3.08, 61.73 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 119 + HA TYR 119 OK 100 100 - 100 - 3.0=100 HB3 ASP 32 - HA TYR 119 OK 16 94 - 17 - 7470/2.8=4, 3999/3.0=3...(7) HD2 ARG 35 - HA TYR 119 lone 1 62 - 2 - Peak 3983 from cnoeabs.peaks (2.78, 3.08, 61.73 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 119 + HA TYR 119 OK 100 100 - 100 - 3.0=100 HB3 ASN 84 + HA TYR 119 OK 52 100 - 52 - 3999/3.0=9, 3998=9...(13) HG3 GLN 111 - HA TYR 119 OK 33 100 - 33 - 3983=8, 3993/3.0=5...(12) HB2 ASP 41 - HA TYR 119 OK 16 85 - 18 - 3983=4, 4674/3.7=3...(7) HB2 ASN 128 - HA TYR 119 lone 5 62 - 8 - 3.4/9429=2, 8148/9421=2 Peak 3984 from cnoeabs.peaks (6.31, 3.08, 61.73 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + HA TYR 119 OK 100 100 - 100 - 3.7=100 Peak 3985 from cnoeabs.peaks (6.24, 3.08, 61.73 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.77: * QE TYR 119 + HA TYR 119 OK 77 100 - 77 - 5.7=63, 10306/2.8=24...(6) Peak 3987 from cnoeabs.peaks (7.64, 3.08, 61.73 ppm; 4.48 A): 3 out of 6 assignments used, quality = 0.78: * H GLU 122 + HA TYR 119 OK 69 100 - 69 - 7505=26, 4.0/4064=17...(12) HD21 ASN 130 + HA TYR 119 OK 18 98 - 19 - 1.7/9429=8, 3.4/3982=5...(5) H VAL 82 + HA TYR 119 OK 13 98 - 13 - 6885/10307=5 H LEU 66 - HA TYR 119 lone 6 100 - 6 - H LEU 97 - HA TYR 119 lone 5 62 - 7 - 5.0/9126=4 H LYS 93 - HA TYR 119 lone 5 62 - 7 - 4.4/9011=3 Peak 3988 from cnoeabs.peaks (1.51, 3.08, 61.73 ppm; 4.24 A): 3 out of 7 assignments used, quality = 0.86: * HB2 GLU 122 + HA TYR 119 OK 70 100 - 70 - 4064=27, 1.8/3989=19...(14) HB2 LYS 123 + HA TYR 119 OK 39 94 - 41 - 3.0/11097=12, 4012/4.9=7...(9) QB ALA 135 + HA TYR 119 OK 21 68 - 31 - 2.9/3980=8, 3988=6...(8) HG3 LYS 85 - HA TYR 119 poor 9 81 - 11 - 3988=2, 4012/4.9=1, 3.5/3982=1 HB2 LEU 29 - HA TYR 119 poor 8 62 - 14 - ~11101=4, ~10533=3...(4) HG2 LYS 34 - HA TYR 119 lone 7 85 - 8 - 4012/4.9=1, 2.9/3989=1 HG3 PRO 57 - HA TYR 119 lone 6 89 - 7 - 4012/4.9=1 Peak 3989 from cnoeabs.peaks (1.94, 3.08, 61.73 ppm; 4.71 A): 3 out of 9 assignments used, quality = 0.83: * HB3 GLU 122 + HA TYR 119 OK 75 100 - 75 - 1.8/4064=28, 3989=24...(14) HG2 PRO 52 + HA TYR 119 OK 16 100 - 17 - 3989=3, 4068/4064=3...(5) HB3 PRO 52 + HA TYR 119 OK 16 99 - 17 - 4068/4064=3, 3989=3...(5) HB2 ARG 140 - HA TYR 119 lone 5 68 - 7 - ~7462=2 HG2 PRO 12 - HA TYR 119 lone 5 62 - 7 - 3989=3, ~7463=1 HB2 ARG 89 - HA TYR 119 lone 5 92 - 5 - HB ILE 56 - HA TYR 119 lone 4 68 - 6 - 2.1/9185=1 HB3 PRO 98 - HA TYR 119 lone 4 85 - 4 - 3989=1 HB2 GLN 62 - HA TYR 119 lone 2 62 - 4 - Peak 3990 from cnoeabs.peaks (7.86, 2.90, 38.04 ppm; 5.84 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 3.9=100 H ALA 135 - HB2 TYR 119 OK 42 99 - 43 - 3980/3.0=11...(11) H ARG 55 - HB2 TYR 119 lone 2 62 - 3 - Peak 3991 from cnoeabs.peaks (3.08, 2.90, 38.04 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HA TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 3.0=100 HD3 ARG 49 - HB2 TYR 119 OK 17 99 - 18 - 7469/3.9=4, 3998/1.8=3...(6) HA2 GLY 78 - HB2 TYR 119 OK 11 100 - 11 - 7469/3.9=2, 3998/1.8=2...(5) HB3 TRP 88 - HB2 TYR 119 lone 5 62 - 7 - 7478/4.4=1, 7469/3.9=1 HB3 ASP 30 - HB2 TYR 119 lone 1 62 - 2 - Peak 3992 from cnoeabs.peaks (2.90, 2.90, 38.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 119 + HB2 TYR 119 OK 100 100 - 100 Peak 3993 from cnoeabs.peaks (2.78, 2.90, 38.04 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 1.8=100 HB3 ASN 84 + HB2 TYR 119 OK 58 100 - 58 - 3999=14, 4001/2.7=9...(13) HG3 GLN 111 - HB2 TYR 119 OK 31 100 - 31 - 3993=5, 3983/3.0=5...(11) HB2 ASP 41 - HB2 TYR 119 OK 16 85 - 19 - 4674/2.7=3, 3993=3...(9) HB2 ASN 128 - HB2 TYR 119 lone 4 62 - 7 - 8148/11106=1, ~9429=1 Peak 3994 from cnoeabs.peaks (6.31, 2.90, 38.04 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 2.7=100 Peak 3997 from cnoeabs.peaks (7.86, 2.78, 38.04 ppm; 5.25 A): 3 out of 6 assignments used, quality = 1.00: * H TYR 119 + HB3 TYR 119 OK 100 100 - 100 - 3.9=100 H ALA 135 + HB3 ASN 84 OK 49 97 - 51 - ~10538=18, 2.9/9645=13...(9) H TYR 119 + HB3 ASN 84 OK 46 98 - 47 - 4.0/4001=12, 2.8/3983=11...(8) H ALA 135 - HB3 TYR 119 OK 33 100 - 34 - 3980/3.0=10, 3990/1.8=10...(6) H ARG 55 - HB3 TYR 119 lone 1 62 - 2 - H ARG 55 - HB3 ASN 84 lone 1 58 - 1 - Peak 3998 from cnoeabs.peaks (3.08, 2.78, 38.04 ppm; 4.86 A): 2 out of 10 assignments used, quality = 1.00: * HA TYR 119 + HB3 TYR 119 OK 100 100 - 100 - 3.0=100 HA TYR 119 + HB3 ASN 84 OK 63 98 - 64 - 3983=13, 3.0/3999=11...(13) HD3 ARG 49 - HB3 TYR 119 OK 25 99 - 25 - 3991/1.8=6, 7469/3.9=5...(8) HA2 GLY 78 - HB3 TYR 119 OK 16 100 - 16 - 3991/1.8=4, 7469/3.9=3...(6) HB3 TRP 88 - HB3 TYR 119 poor 7 62 - 11 - 4672/2.7=2, 7478/4.4=2...(6) HD3 ARG 49 - HB3 ASN 84 lone 6 96 - 6 - 10325/9645=1 HA2 GLY 78 - HB3 ASN 84 lone 4 97 - 4 - HB3 TRP 88 - HB3 ASN 84 lone 2 58 - 3 - HB3 ASP 30 - HB3 TYR 119 lone 2 62 - 2 - HB3 ASP 30 - HB3 ASN 84 lone 1 58 - 1 - Peak 3999 from cnoeabs.peaks (2.90, 2.78, 38.04 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * HB2 TYR 119 + HB3 TYR 119 OK 100 100 - 100 - 1.8=100 HB2 TYR 119 + HB3 ASN 84 OK 58 98 - 60 - 3993=14, 2.7/4001=9...(13) HB3 ASP 32 - HB3 TYR 119 OK 17 94 - 18 - 3982/3.0=4, ~417=3...(6) HB3 ASP 32 - HB3 ASN 84 OK 16 90 - 17 - 10819/4.0=16 HD2 ARG 35 - HB3 TYR 119 lone 1 62 - 2 - HD2 ARG 35 - HB3 ASN 84 lone 1 58 - 2 - 8093/2562=1 Peak 4000 from cnoeabs.peaks (2.78, 2.78, 38.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 119 + HB3 TYR 119 OK 100 100 - 100 HB3 ASN 84 + HB3 ASN 84 OK 98 98 - 100 Peak 4001 from cnoeabs.peaks (6.31, 2.78, 38.04 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 119 + HB3 TYR 119 OK 100 100 - 100 - 2.7=100 QD TYR 119 + HB3 ASN 84 OK 64 97 - 66 - 4674=13, 2.7/3999=13...(13) Peak 4004 from cnoeabs.peaks (9.05, 4.16, 60.17 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 120 + HA GLU 120 OK 100 100 - 100 - 2.9=100 H GLU 120 - HA TRP 88 OK 16 60 - 27 - 7483=5, 4.7/9424=4...(11) Peak 4005 from cnoeabs.peaks (4.16, 4.16, 60.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 120 + HA GLU 120 OK 100 100 - 100 HA TRP 88 + HA TRP 88 OK 52 52 - 100 Peak 4006 from cnoeabs.peaks (2.61, 4.16, 60.17 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 - HA TRP 88 OK 21 60 - 35 - 3.6/4004=7, 4.6/4010=4...(13) Peak 4007 from cnoeabs.peaks (2.72, 4.16, 60.17 ppm; 6.35 A): 3 out of 12 assignments used, quality = 1.00: * HB3 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.0=100 HB2 PHE 38 + HA GLU 120 OK 76 100 - 77 - 800=11, 4017/3.0=10...(22) HB3 MET 46 + HA GLU 120 OK 65 98 - 67 - 1058/3.6=15, 4017/3.0=11...(15) HB3 TYR 70 - HA GLU 120 OK 43 100 - 43 - 4017/3.0=6, 4.5/8486=5...(13) HB2 ASN 84 - HA GLU 120 OK 38 85 - 45 - ~11109=10, ~7480=10...(12) HB2 PHE 38 - HA TRP 88 OK 35 59 - 60 - 8108/7.8=19, 800=7...(15) HB3 GLU 120 - HA TRP 88 OK 22 60 - 37 - 1.8/4006=7, 3.6/4004=6...(13) HB3 MET 46 - HA TRP 88 OK 13 56 - 24 - 4.2/10486=7, 3.0/2828=4...(6) HB3 TYR 70 - HA TRP 88 OK 12 59 - 21 - 2070/4.6=6, 11542/7.8=5...(6) HB2 ASN 96 - HA GLU 120 lone 4 77 - 6 - HB2 ASN 84 - HA TRP 88 lone 3 45 - 6 - HB2 ASN 96 - HA TRP 88 lone 2 39 - 4 - Peak 4008 from cnoeabs.peaks (2.30, 4.16, 60.17 ppm; 4.07 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.8=100 HG3 GLU 75 - HA GLU 120 OK 28 85 - 33 - 4039/3.8=7, 1.8/8646=6...(8) HG3 GLN 62 - HA GLU 120 lone 9 92 - 10 - 7486/2.9=2, 7497/3.6=1 HG2 GLN 62 - HA GLU 120 lone 8 81 - 9 - 7486/2.9=1, ~7486=1, 7497/3.6=1 HG3 GLU 81 - HA GLU 120 lone 7 77 - 9 - 7497/3.6=2, 4039/3.8=2...(5) HG2 GLU 120 - HA TRP 88 poor 6 60 - 10 - 4.9/4004=2, 3.0/4006=2...(5) HG3 GLU 75 - HA TRP 88 poor 5 45 - 10 - 8642/9266=2, 8644/8930=2...(4) HG3 GLN 62 - HA TRP 88 lone 1 50 - 2 - HG2 GLN 62 - HA TRP 88 lone 1 42 - 2 - HG3 GLU 81 - HA TRP 88 lone 1 39 - 2 - Peak 4009 from cnoeabs.peaks (2.32, 4.16, 60.17 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.8=100 HG2 GLU 142 - HA GLU 120 OK 28 94 - 30 - 7487/2.9=6, 4033/3.8=5...(11) HG3 GLU 120 - HA TRP 88 poor 6 60 - 10 - 4.9/4004=2, 4036=2...(5) HG2 GLU 142 - HA TRP 88 lone 1 52 - 2 - Peak 4010 from cnoeabs.peaks (8.54, 4.16, 60.17 ppm; 5.27 A): 2 out of 6 assignments used, quality = 1.00: * H CYS 121 + HA GLU 120 OK 100 100 - 100 - 3.6=100 H MET 46 + HA GLU 120 OK 48 98 - 49 - 4042/4.9=10, 4.0/4007=8...(11) H CYS 121 - HA TRP 88 OK 18 60 - 30 - 4.0/4004=5, 3.1/7507=4...(12) H MET 46 - HA TRP 88 poor 10 56 - 17 - 5.9/10486=4, 5.1/2828=2...(6) H GLN 111 - HA GLU 120 lone 4 68 - 6 - 7488/2.9=1 H GLN 111 - HA TRP 88 lone 2 34 - 6 - ~7009=3 Peak 4012 from cnoeabs.peaks (1.51, 4.16, 60.17 ppm; 6.80 A): 5 out of 18 assignments used, quality = 0.95: * HB2 LYS 123 + HA GLU 120 OK 66 100 - 66 - 1.8/4013=25, 3.9/7520=16...(10) HB2 GLU 122 + HA GLU 120 OK 58 94 - 61 - 4064/4.9=26, 4.0/7507=22...(5) HG3 LYS 76 + HA GLU 120 OK 29 81 - 35 - 3.0/4013=10, 3988/4.9=3...(15) HB2 LYS 123 + HA TRP 88 OK 28 60 - 47 - ~8884=15, 3.0/8930=9...(10) HG3 LYS 85 + HA GLU 120 OK 27 99 - 27 - 8864/3.0=9, 9449/3.6=4...(6) QB ALA 135 - HA GLU 120 OK 23 94 - 25 - 3988/4.9=7, ~7477=6...(5) HD2 LYS 76 - HA GLU 120 OK 19 62 - 30 - 3.5/4013=9, 3.0/2274=3...(10) HG3 PRO 57 - HA GLU 120 OK 14 100 - 14 - 9449/3.6=3, 4120/4013=2...(4) HB2 GLU 122 - HA TRP 88 poor 10 52 - 18 - 4.7/7520=5, 4.0/7507=5...(4) HB2 LEU 29 - HA TRP 88 poor 9 50 - 18 - 3.2/10239=3, ~11698=3...(7) HB2 LEU 29 - HA GLU 120 lone 9 92 - 10 - 3988/4.9=3 HG2 LYS 93 - HA GLU 120 lone 7 81 - 9 - 3988/4.9=2 HG3 PRO 57 - HA TRP 88 poor 7 60 - 12 - 10626/1849=3...(3) HG3 LYS 76 - HA TRP 88 poor 7 42 - 17 - 8660/9266=4, 8661/8930=3...(4) QB ALA 135 - HA TRP 88 poor 7 52 - 13 - 10325/3.0=2, 10978/8128=1 HG3 LYS 85 - HA TRP 88 poor 6 58 - 10 - 10046/3.0=2, 10049/11408=2 HD2 LYS 76 - HA TRP 88 poor 4 31 - 12 - 8663/8930=3, 3.5/4013=2 HG2 LYS 93 - HA TRP 88 lone 4 42 - 8 - 8661/8930=1 Peak 4013 from cnoeabs.peaks (1.45, 4.16, 60.17 ppm; 4.42 A): 4 out of 12 assignments used, quality = 0.60: * HB3 LYS 123 + HA GLU 120 OK 32 100 - 32 - 1.8/4012=13, 3.9/7520=8...(4) HB2 LYS 76 + HA GLU 120 OK 21 94 - 22 - 2251=3, 3.0/2274=2...(9) HB3 LYS 123 + HA TRP 88 OK 16 60 - 26 - 3.0/8930=6, ~8884=6...(6) HG LEU 126 + HA GLU 120 OK 11 77 - 14 - ~9438=6, 5.2/7573=1, 2.1/4299=1 HG2 LYS 48 - HA TRP 88 lone 5 59 - 9 - 10067=2, 9801/2953=1 HB2 LYS 76 - HA TRP 88 lone 5 52 - 10 - 8654/9266=4 HG LEU 126 - HA TRP 88 poor 5 39 - 12 - ~10254=2, ~10256=2...(5) HB3 LEU 66 - HA GLU 120 lone 4 100 - 4 - HG2 LYS 48 - HA GLU 120 lone 3 100 - 3 - HB3 LYS 114 - HA TRP 88 lone 3 39 - 7 - 2.9/8929=3, 3759/8929=1 HB3 LYS 114 - HA GLU 120 lone 2 77 - 3 - HB3 LEU 66 - HA TRP 88 lone 2 60 - 3 - Peak 4014 from cnoeabs.peaks (9.05, 2.61, 30.57 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.6=100 Peak 4015 from cnoeabs.peaks (4.16, 2.61, 30.57 ppm; 5.52 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.0=100 HA PHE 38 + HB2 GLU 120 OK 63 96 - 65 - 3.0/4017=9, 789/1.8=7...(21) HB2 SER 44 - HB2 GLU 120 OK 33 100 - 34 - 11500/1.8=4, ~11500=4...(13) HB3 SER 44 - HB2 GLU 120 OK 33 100 - 33 - 11500/1.8=4, ~11500=4...(13) HA LEU 126 - HB2 GLU 120 OK 30 68 - 44 - ~10340=10, ~11582=8...(15) HA TRP 88 - HB2 GLU 120 OK 27 94 - 28 - 4004/3.6=5, 4006=5...(12) HA LYS 76 - HB2 GLU 120 OK 25 81 - 31 - ~4013=5, ~6810=4...(15) HA3 GLY 125 - HB2 GLU 120 OK 15 89 - 17 - 7494/4.6=3, ~4260=3...(8) HA LEU 64 - HB2 GLU 120 OK 10 92 - 11 - 7494/4.6=2, 7483/3.6=1...(4) HG1 THR 74 - HB2 GLU 120 lone 9 94 - 9 - ~9559=2, 7494/4.6=2, 7483/3.6=1 Peak 4016 from cnoeabs.peaks (2.61, 2.61, 30.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 120 + HB2 GLU 120 OK 100 100 - 100 Peak 4017 from cnoeabs.peaks (2.72, 2.61, 30.57 ppm; 4.55 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 1.8=100 HB2 PHE 38 + HB2 GLU 120 OK 54 100 - 54 - ~810=7, 800/3.0=6...(21) HB3 MET 46 + HB2 GLU 120 OK 47 98 - 48 - 7496/4.6=8, 4007/3.0=7...(13) HB3 TYR 70 - HB2 GLU 120 OK 26 100 - 26 - 4007/3.0=4, ~2065=3...(11) HB2 ASN 84 - HB2 GLU 120 OK 19 85 - 23 - ~2564=5, 4007/3.0=4...(9) HB2 ASN 96 - HB2 GLU 120 lone 2 77 - 3 - Peak 4018 from cnoeabs.peaks (2.30, 2.61, 30.57 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.0=100 HG3 GLU 75 + HB2 GLU 120 OK 73 85 - 86 - 4025/1.8=13, 4030=11...(23) HG3 GLU 81 - HB2 GLU 120 OK 24 77 - 31 - 7497/4.6=5, 4025/1.8=5...(11) HG3 GLN 62 - HB2 GLU 120 OK 23 92 - 24 - 4025/1.8=4, 7486/3.6=3...(6) HG2 GLN 62 - HB2 GLU 120 OK 19 81 - 23 - 4025/1.8=3, ~4025=3...(6) Peak 4019 from cnoeabs.peaks (2.32, 2.61, 30.57 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.0=100 HG2 GLU 142 + HB2 GLU 120 OK 74 94 - 78 - 4026/1.8=18, 4037=12...(22) Peak 4021 from cnoeabs.peaks (9.05, 2.72, 30.57 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.6=100 Peak 4022 from cnoeabs.peaks (4.16, 2.72, 30.57 ppm; 6.12 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.0=100 HA PHE 38 + HB3 GLU 120 OK 72 96 - 75 - 3.0/810=10, 4015/1.8=8...(24) HB2 SER 44 - HB3 GLU 120 OK 42 100 - 42 - 11500=6, 1.8/11500=6...(16) HB3 SER 44 - HB3 GLU 120 OK 42 100 - 42 - 11500=6, 1.8/11500=6...(16) HA LEU 126 - HB3 GLU 120 OK 34 68 - 51 - ~10340=12, ~11582=11...(15) HA TRP 88 - HB3 GLU 120 OK 32 94 - 34 - 4004/3.6=6, 4006/1.8=6...(13) HA LYS 76 - HB3 GLU 120 OK 30 81 - 36 - ~4013=6, ~6810=5...(15) HA3 GLY 125 - HB3 GLU 120 OK 17 89 - 19 - 7494/4.6=4, ~4260=3...(8) HA LEU 64 - HB3 GLU 120 OK 14 92 - 15 - 7494/4.6=2, 4015/1.8=1...(6) HG1 THR 74 - HB3 GLU 120 OK 10 94 - 11 - ~9559=2, 7494/4.6=2...(4) Peak 4023 from cnoeabs.peaks (2.61, 2.72, 30.57 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 1.8=100 Peak 4024 from cnoeabs.peaks (2.72, 2.72, 30.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 120 + HB3 GLU 120 OK 100 100 - 100 Peak 4025 from cnoeabs.peaks (2.30, 2.72, 30.57 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.0=100 HG3 GLU 75 + HB3 GLU 120 OK 72 85 - 85 - 4018/1.8=13, ~8646=10...(24) HG3 GLU 81 - HB3 GLU 120 OK 27 77 - 35 - 7497/4.6=5, 3.7/2439=5...(12) HG3 GLN 62 - HB3 GLU 120 OK 21 92 - 22 - 4018/1.8=4, 7486/3.6=3...(6) HG2 GLN 62 - HB3 GLU 120 OK 17 81 - 21 - 4018/1.8=3, ~4018=3...(6) Peak 4026 from cnoeabs.peaks (2.32, 2.72, 30.57 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.0=100 HG2 GLU 142 + HB3 GLU 120 OK 72 94 - 76 - 4019/1.8=18, 7487/3.6=12...(22) Peak 4029 from cnoeabs.peaks (4.16, 2.30, 36.86 ppm; 3.69 A): 2 out of 20 assignments used, quality = 0.92: * HA GLU 120 + HG2 GLU 120 OK 90 100 - 90 - 3.8=88, 3.6/7497=9 HA PHE 38 + HG2 GLU 120 OK 24 96 - 25 - 789/3.0=4, 4036/1.8=4...(11) HA LEU 126 - HG2 GLU 120 OK 20 68 - 30 - 3.0/10340=8, 4.0/9494=6...(9) HA LYS 76 - HG3 GLU 75 OK 15 26 - 58 - ~2230=10, 8646/1.8=9...(12) HB3 SER 44 - HG2 GLU 120 OK 14 100 - 14 - 4036/1.8=2, ~4036=2...(8) HB2 SER 44 - HG2 GLU 120 OK 14 100 - 14 - 4036/1.8=2, ~4036=2...(7) HA LYS 76 - HG2 GLU 120 OK 11 81 - 14 - 3.0/6810=3, 2.9/11604=2...(4) HA GLU 120 - HG3 GLU 75 OK 11 38 - 29 - 4008=6, 3.8/4039=5...(8) HA3 GLY 125 - HG2 GLU 120 poor 10 89 - 11 - 3.6/10340=7 HA TRP 88 - HG2 GLU 120 lone 8 94 - 9 - 4004/4.9=2, 4009/1.8=1...(4) HA LEU 64 - HG2 GLU 120 lone 4 92 - 5 - HA LEU 64 - HG3 GLU 75 poor 4 31 - 14 - 11023/3.0=3, ~10634=2...(6) HG1 THR 74 - HG2 GLU 120 lone 4 94 - 4 - 3.0/9559=1 HA LEU 126 - HG3 GLU 75 poor 4 20 - 18 - 4.0/9494=5, 3.0/10340=4...(5) HB3 SER 44 - HG3 GLU 75 lone 3 37 - 8 - 8646/1.8=1, ~8646=1...(4) HB2 SER 44 - HG3 GLU 75 lone 3 37 - 8 - 8646/1.8=1, ~8646=1...(4) HG1 THR 74 - HG3 GLU 75 lone 3 32 - 8 - 8628/5.0=4, 8647/3.0=2 HA3 GLY 125 - HG3 GLU 75 lone 3 29 - 9 - 3.6/10340=4, ~7562=2 HA TRP 88 - HG3 GLU 75 lone 2 32 - 6 - 8628/5.0=1, 4008=1 HA PHE 38 - HG3 GLU 75 lone 2 34 - 5 - 8509/8512=2 Peak 4030 from cnoeabs.peaks (2.61, 2.30, 36.86 ppm; 5.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 120 + HG2 GLU 120 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 - HG3 GLU 75 OK 30 38 - 80 - 4018=9, 3.0/4039=9...(23) Peak 4031 from cnoeabs.peaks (2.72, 2.30, 36.86 ppm; 5.14 A): 3 out of 12 assignments used, quality = 1.00: * HB3 GLU 120 + HG2 GLU 120 OK 100 100 - 100 - 3.0=100 HB2 PHE 38 + HG2 GLU 120 OK 53 100 - 54 - 4017/3.0=8, 800/3.8=7...(18) HB3 MET 46 + HG2 GLU 120 OK 45 98 - 47 - 4017/3.0=9, 4007/3.8=8...(13) HB3 TYR 70 - HG2 GLU 120 OK 29 100 - 29 - 4017/3.0=5, 4007/3.8=4...(10) HB3 GLU 120 - HG3 GLU 75 OK 27 38 - 73 - 3.0/4039=9, 1.8/4030=8...(23) HB2 ASN 84 - HG2 GLU 120 OK 21 85 - 24 - 4007/3.8=4, ~2564=4...(8) HB3 MET 46 - HG3 GLU 75 OK 14 35 - 41 - 1060/1.8=7, ~2213=5...(10) HB3 TYR 70 - HG3 GLU 75 poor 4 37 - 12 - ~2060=5, ~2060=3, 8504/9971=2 HB2 ASN 96 - HG2 GLU 120 lone 3 77 - 4 - HB2 PHE 38 - HG3 GLU 75 lone 2 37 - 7 - 8504/9971=1 HB2 ASN 84 - HG3 GLU 75 lone 1 28 - 4 - HB2 ASN 96 - HG3 GLU 75 lone 1 24 - 2 - Peak 4032 from cnoeabs.peaks (2.30, 2.30, 36.86 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 120 + HG2 GLU 120 OK 100 100 - 100 HG3 GLU 75 - HG3 GLU 75 OK 28 28 - 100 Peak 4033 from cnoeabs.peaks (2.32, 2.30, 36.86 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 120 + HG2 GLU 120 OK 100 100 - 100 - 1.8=100 HG2 GLU 142 - HG2 GLU 120 OK 19 94 - 21 - 4857=3, ~4863=2...(11) HG3 GLU 120 - HG3 GLU 75 OK 14 38 - 36 - 4039=9, 2229/1.8=6...(15) HG2 GLU 142 - HG3 GLU 75 poor 5 32 - 16 - 4854/3.0=3, 4039=1...(6) Peak 4036 from cnoeabs.peaks (4.16, 2.32, 36.86 ppm; 4.05 A): 1 out of 20 assignments used, quality = 1.00: * HA GLU 120 + HG3 GLU 120 OK 100 100 - 100 - 3.8=100 HA PHE 38 - HG3 GLU 120 OK 31 96 - 33 - 789/3.0=5, 4029/1.8=4...(13) HA LEU 126 - HG3 GLU 120 OK 20 68 - 30 - ~10340=7, 4.0/9494=5...(9) HB2 SER 44 - HG3 GLU 120 OK 20 100 - 20 - 4029/1.8=2, 4015/3.0=2...(11) HB3 SER 44 - HG3 GLU 120 OK 19 100 - 19 - 4029/1.8=2, 4015/3.0=2...(11) HA LYS 76 - HG3 GLU 120 OK 15 81 - 19 - ~6810=3, ~11604=2...(8) HA GLU 120 - HG2 GLU 142 OK 15 40 - 37 - 4009=10, 2.9/7487=6...(11) HA TRP 88 - HG3 GLU 120 OK 10 94 - 11 - 4004/4.9=2, 4009=2...(5) HA LEU 64 - HG3 GLU 120 lone 6 92 - 6 - HA3 GLY 125 - HG3 GLU 120 lone 6 89 - 6 - 4029/1.8=2 HG1 THR 74 - HG3 GLU 120 lone 5 94 - 5 - ~9559=1 HA LEU 126 - HG2 GLU 142 lone 1 21 - 6 - 3.0/11582=3, 10252/1.8=1 HA LYS 76 - HG2 GLU 142 lone 1 27 - 5 - ~6808=2, ~6810=1 HA LEU 64 - HG2 GLU 142 lone 1 32 - 4 - HA PHE 38 - HG2 GLU 142 lone 1 35 - 3 - 794/4.9=1 HB2 SER 44 - HG2 GLU 142 lone 1 39 - 2 - HB3 SER 44 - HG2 GLU 142 lone 1 39 - 2 - HA TRP 88 - HG2 GLU 142 lone 1 34 - 2 - HA3 GLY 125 - HG2 GLU 142 lone 1 31 - 2 - HG1 THR 74 - HG2 GLU 142 lone 1 34 - 2 - Peak 4037 from cnoeabs.peaks (2.61, 2.32, 36.86 ppm; 6.79 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 120 + HG3 GLU 120 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 - HG2 GLU 142 OK 32 40 - 82 - 4019=21, 1.8/4026=18...(22) Peak 4038 from cnoeabs.peaks (2.72, 2.32, 36.86 ppm; 5.84 A): 3 out of 12 assignments used, quality = 1.00: * HB3 GLU 120 + HG3 GLU 120 OK 100 100 - 100 - 3.0=100 HB2 PHE 38 + HG3 GLU 120 OK 61 100 - 62 - 4017/3.0=10, 4031/1.8=8...(18) HB3 MET 46 + HG3 GLU 120 OK 56 98 - 57 - 4017/3.0=10, 4007/3.8=9...(16) HB3 TYR 70 - HG3 GLU 120 OK 37 100 - 37 - 4017/3.0=5, 4007/3.8=5...(11) HB3 GLU 120 - HG2 GLU 142 OK 29 40 - 73 - 4026=13, 1.8/4019=13...(22) HB2 ASN 84 - HG3 GLU 120 OK 26 85 - 31 - 4007/3.8=5, ~2564=5...(9) HB2 ASN 96 - HG3 GLU 120 lone 4 77 - 5 - HB2 PHE 38 - HG2 GLU 142 lone 3 39 - 8 - 806/4.9=3, 4017/4019=1 HB3 MET 46 - HG2 GLU 142 lone 2 37 - 6 - 7496/7498=1, 4017/4019=1 HB2 ASN 96 - HG2 GLU 142 lone 1 25 - 6 - 10123/4.0=3 HB3 TYR 70 - HG2 GLU 142 lone 1 39 - 4 - HB2 ASN 84 - HG2 GLU 142 lone 1 29 - 3 - Peak 4039 from cnoeabs.peaks (2.30, 2.32, 36.86 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 120 + HG3 GLU 120 OK 100 100 - 100 - 1.8=100 HG3 GLU 75 - HG3 GLU 120 OK 28 85 - 34 - 1.8/2229=6, 4033=5...(15) HG2 GLU 120 - HG2 GLU 142 poor 9 40 - 23 - 4033=7, ~4863=2...(10) HG3 GLU 81 - HG3 GLU 120 lone 7 77 - 9 - 1.8/2460=2, 3.0/2446=1 HG3 GLU 75 - HG2 GLU 142 poor 5 29 - 16 - 4033=2, 2234/3.0=2...(7) HG3 GLN 62 - HG3 GLU 120 lone 2 92 - 2 - HG2 GLN 62 - HG3 GLU 120 lone 2 81 - 2 - HG3 GLN 62 - HG2 GLU 142 lone 1 32 - 2 - HG2 GLN 62 - HG2 GLU 142 lone 1 27 - 2 - HG3 GLU 81 - HG2 GLU 142 lone 0 25 - 0 - Peak 4040 from cnoeabs.peaks (2.32, 2.32, 36.86 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 120 + HG3 GLU 120 OK 100 100 - 100 HG2 GLU 142 - HG2 GLU 142 OK 34 34 - 100 Peak 4042 from cnoeabs.peaks (8.54, 4.19, 63.76 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: * H CYS 121 + HA CYS 121 OK 100 100 - 100 - 2.9=100 H MET 46 + HA CYS 121 OK 53 98 - 54 - 4052/3.0=9, 4047/3.0=9...(17) H GLN 111 - HA CYS 121 lone 4 68 - 5 - Peak 4043 from cnoeabs.peaks (4.19, 4.19, 63.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 121 + HA CYS 121 OK 100 100 - 100 Peak 4044 from cnoeabs.peaks (2.87, 4.19, 63.76 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 121 + HA CYS 121 OK 100 100 - 100 - 3.0=100 Peak 4045 from cnoeabs.peaks (2.71, 4.19, 63.76 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HB3 CYS 121 + HA CYS 121 OK 100 100 - 100 - 3.0=100 HB3 MET 46 - HA CYS 121 OK 42 81 - 52 - 7501/2.9=9, 4.0/4042=7...(19) HB2 ASN 84 - HA CYS 121 OK 13 96 - 14 - 7501/2.9=3, 4050/3.0=2...(4) HB2 ASP 137 - HA CYS 121 lone 1 68 - 2 - HB3 ASP 16 - HA CYS 121 lone 1 77 - 1 - Peak 4047 from cnoeabs.peaks (8.54, 2.87, 26.59 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 121 + HB2 CYS 121 OK 100 100 - 100 - 4.1=100 H MET 46 - HB2 CYS 121 OK 41 98 - 42 - 4052/1.8=11, 4042/3.0=10...(10) H GLN 111 - HB2 CYS 121 lone 2 68 - 3 - Peak 4048 from cnoeabs.peaks (4.19, 2.87, 26.59 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 121 + HB2 CYS 121 OK 100 100 - 100 - 3.0=100 HA PHE 67 - HB2 CYS 121 OK 18 92 - 19 - 4053/1.8=5, 7499/4.1=4...(6) HA PHE 43 - HB2 CYS 121 OK 17 77 - 22 - 4053/1.8=6, 7499/4.1=5...(8) HA LEU 64 - HB2 CYS 121 lone 5 62 - 9 - 4053/1.8=1, ~1817=1 Peak 4049 from cnoeabs.peaks (2.87, 2.87, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 121 + HB2 CYS 121 OK 100 100 - 100 Peak 4050 from cnoeabs.peaks (2.71, 2.87, 26.59 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HB3 CYS 121 + HB2 CYS 121 OK 100 100 - 100 - 1.8=100 HB3 MET 46 - HB2 CYS 121 OK 25 81 - 31 - 4045/3.0=6, 7501/4.1=5...(12) HB2 ASN 84 - HB2 CYS 121 lone 9 96 - 10 - 4045/3.0=2, 7501/4.1=2...(5) HB2 ASP 137 - HB2 CYS 121 lone 1 68 - 1 - HB3 ASP 16 - HB2 CYS 121 lone 1 77 - 1 - Peak 4051 from cnoeabs.peaks (7.64, 2.87, 26.59 ppm; 4.39 A): 1 out of 6 assignments used, quality = 0.94: * H GLU 122 + HB2 CYS 121 OK 94 100 - 94 - 4.7=83, 3.1/7500=36...(6) H LEU 66 - HB2 CYS 121 OK 13 100 - 13 - 4056/1.8=6, 7502/4.1=3...(5) H VAL 82 - HB2 CYS 121 lone 6 98 - 6 - 4056/1.8=3, 7502/4.1=3 HD21 ASN 130 - HB2 CYS 121 lone 3 98 - 3 - 7502/4.1=1, 4056/1.8=1 H LYS 93 - HB2 CYS 121 lone 1 62 - 2 - H LEU 97 - HB2 CYS 121 lone 1 62 - 2 - Peak 4052 from cnoeabs.peaks (8.54, 2.71, 26.59 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 121 + HB3 CYS 121 OK 100 100 - 100 - 4.1=100 H MET 46 - HB3 CYS 121 OK 44 98 - 45 - 4047/1.8=11, 4042/3.0=10...(14) H GLN 111 - HB3 CYS 121 lone 2 68 - 3 - Peak 4053 from cnoeabs.peaks (4.19, 2.71, 26.59 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 121 + HB3 CYS 121 OK 100 100 - 100 - 3.0=100 HA PHE 43 - HB3 CYS 121 OK 19 77 - 25 - 4048/1.8=4, 7499/4.1=4...(10) HA PHE 67 - HB3 CYS 121 OK 17 92 - 18 - 4048/1.8=5, 7499/4.1=4...(6) HA LEU 64 - HB3 CYS 121 lone 5 62 - 7 - 4048/1.8=1, ~1817=1 Peak 4054 from cnoeabs.peaks (2.87, 2.71, 26.59 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 121 + HB3 CYS 121 OK 100 100 - 100 - 1.8=100 Peak 4055 from cnoeabs.peaks (2.71, 2.71, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 121 + HB3 CYS 121 OK 100 100 - 100 Peak 4056 from cnoeabs.peaks (7.64, 2.71, 26.59 ppm; 4.39 A): 1 out of 6 assignments used, quality = 0.95: * H GLU 122 + HB3 CYS 121 OK 95 100 - 95 - 4.7=84, 7510/1.8=43...(5) H LEU 66 - HB3 CYS 121 OK 21 100 - 22 - 4.5/9897=8, 4.5/8404=6...(5) H VAL 82 - HB3 CYS 121 lone 9 98 - 9 - 7502/4.1=3, 4051/1.8=2...(5) HD21 ASN 130 - HB3 CYS 121 lone 4 98 - 4 - 7502/4.1=1, 4051/1.8=1 H LEU 97 - HB3 CYS 121 lone 2 62 - 3 - H LYS 93 - HB3 CYS 121 lone 1 62 - 2 - Peak 4057 from cnoeabs.peaks (7.64, 4.00, 58.31 ppm; 3.36 A): 1 out of 18 assignments used, quality = 1.00: * H GLU 122 + HA GLU 122 OK 100 100 - 100 - 3.0=100 H LEU 66 - HA LEU 69 OK 30 97 - 32 - ~1879=6, ~1879=5...(12) H GLU 122 - HA LEU 69 OK 23 97 - 23 - 7512=6, 4.0/4074=2...(7) HD21 ASN 130 - HA GLU 122 OK 18 98 - 18 - 4073/3.0=4, 4065/3.0=4...(6) H VAL 82 - HA GLU 122 OK 15 98 - 15 - 7523/3.6=3, 4065/3.0=2...(7) H LEU 66 - HA GLU 122 OK 13 100 - 13 - 7523/3.6=2, 4065/3.0=2...(6) H VAL 82 - HA LYS 114 OK 12 67 - 18 - 3.4/10197=5, 3.2/3734=5...(5) H GLU 122 - HA LYS 114 OK 11 71 - 16 - 7512=4, 3.1/7524=2...(4) H VAL 82 - HA LEU 69 OK 11 93 - 11 - 3.4/9920=2, 6894/3.0=1 H LYS 93 - HA LEU 69 lone 5 57 - 9 - 9038=2 H LEU 66 - HA LYS 114 lone 5 70 - 7 - 6639/3.0=1 H LYS 93 - HA GLU 122 lone 4 62 - 7 - H LYS 93 - HA LYS 114 poor 4 37 - 11 - 9038=2, 5.1/3736=2 HD21 ASN 130 - HA LYS 114 lone 3 67 - 5 - H LEU 97 - HA LEU 69 lone 3 57 - 6 - 11420/4.1=1 H LEU 97 - HA GLU 122 lone 2 62 - 4 - HD21 ASN 130 - HA LEU 69 lone 1 93 - 1 - H LEU 97 - HA LYS 114 lone 1 37 - 3 - Peak 4058 from cnoeabs.peaks (4.00, 4.00, 58.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 122 + HA GLU 122 OK 100 100 - 100 HA LEU 69 + HA LEU 69 OK 97 97 - 100 HA LYS 114 + HA LYS 114 OK 71 71 - 100 Peak 4059 from cnoeabs.peaks (1.51, 4.00, 58.31 ppm; 3.12 A): 2 out of 21 assignments used, quality = 1.00: * HB2 GLU 122 + HA GLU 122 OK 100 100 - 100 - 3.0=100 HB2 LYS 123 + HA GLU 122 OK 45 94 - 48 - 7525/3.6=7, 7513/3.0=7...(21) HB2 GLU 122 - HA LEU 69 OK 21 97 - 22 - 4066=4, 1.8/4074=3...(9) HG2 LYS 34 - HA GLU 122 OK 13 85 - 15 - 4075/3.0=2, 4082/3.9=1...(6) HG3 PRO 57 - HA GLU 122 OK 12 89 - 14 - 4075/3.0=2, 7525/3.6=1...(6) HB2 GLU 122 - HA LYS 114 OK 11 71 - 15 - 4066=3, 1.8/4074=2...(6) HG3 PRO 57 - HA LYS 114 poor 9 57 - 15 - 2.3/3732=2, 1538/3.0=2...(7) HG3 LYS 85 - HA GLU 122 lone 8 81 - 10 - ~9460=2, 7513/3.0=1 HB2 LYS 123 - HA LYS 114 poor 8 62 - 13 - 4109/3.0=2, 1.8/3733=2 QB ALA 135 - HA GLU 122 poor 8 68 - 11 - 2.1/4585=2, 4075/3.0=2...(4) HB2 LEU 29 - HA LYS 114 poor 6 37 - 16 - ~3761=2, ~3749=2...(8) HG3 LYS 85 - HA LEU 69 lone 6 76 - 7 - 3.0/2003=1 HG3 PRO 57 - HA LEU 69 lone 5 83 - 6 - 10591/4.9=4 QB ALA 135 - HA LEU 69 lone 4 62 - 6 - 2.1/4585=1 HB2 LEU 29 - HA GLU 122 lone 3 62 - 5 - HB2 LYS 123 - HA LEU 69 lone 3 89 - 4 - 3.9/4063=1 HG2 LYS 34 - HA LYS 114 lone 2 54 - 4 - HG2 LYS 34 - HA LEU 69 lone 2 80 - 2 - HB2 LEU 29 - HA LEU 69 lone 1 57 - 3 - 3.2/11533=1 QB ALA 135 - HA LYS 114 lone 1 41 - 3 - HG3 LYS 85 - HA LYS 114 lone 1 51 - 1 - Peak 4060 from cnoeabs.peaks (1.94, 4.00, 58.31 ppm; 3.08 A): 1 out of 27 assignments used, quality = 1.00: * HB3 GLU 122 + HA GLU 122 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 - HA GLU 122 OK 45 100 - 45 - 4068/3.0=6, 1.8/4062=5...(22) HB3 PRO 52 - HA GLU 122 OK 43 99 - 44 - 4068/3.0=6, 2.3/4062=5...(16) HB3 GLU 122 - HA LEU 69 OK 20 97 - 21 - 4074=4, 1.8/4066=3...(8) HB3 GLU 122 - HA LYS 114 OK 10 71 - 14 - 4074=3, 1.8/4066=2...(6) HB2 ARG 89 - HA LEU 69 lone 7 86 - 8 - 1.8/2002=1, 2861/3.0=1 HB3 PRO 98 - HA GLU 122 lone 7 85 - 8 - 4068/3.0=1 HB ILE 56 - HA LEU 69 lone 4 62 - 6 - HB2 ARG 89 - HA GLU 122 lone 3 92 - 3 - HB2 ARG 140 - HA LEU 69 lone 3 62 - 5 - HB2 GLN 62 - HA GLU 122 lone 3 62 - 5 - HB ILE 56 - HA GLU 122 lone 3 68 - 4 - HB2 ARG 140 - HA LYS 114 lone 2 41 - 6 - 4.0/9751=1 HG2 PRO 52 - HA LEU 69 lone 2 96 - 2 - HB3 PRO 52 - HA LEU 69 lone 2 95 - 2 - HG2 PRO 12 - HA GLU 122 lone 2 62 - 3 - HB2 GLN 62 - HA LEU 69 lone 2 57 - 3 - HG2 PRO 52 - HA LYS 114 lone 1 69 - 2 - HB3 PRO 52 - HA LYS 114 lone 1 68 - 2 - HB2 ARG 140 - HA GLU 122 lone 1 68 - 2 - HB3 PRO 98 - HA LYS 114 lone 1 54 - 2 - HG2 PRO 12 - HA LEU 69 lone 1 57 - 2 - HB2 ARG 89 - HA LYS 114 lone 1 60 - 1 - HB3 PRO 98 - HA LEU 69 lone 0 80 - 1 - HB2 GLN 62 - HA LYS 114 lone 0 37 - 1 - HB ILE 56 - HA LYS 114 lone 0 41 - 1 - HG2 PRO 12 - HA LYS 114 lone 0 37 - 0 - Peak 4061 from cnoeabs.peaks (2.08, 4.00, 58.31 ppm; 3.22 A): 5 out of 30 assignments used, quality = 0.90: * HG2 GLU 122 + HA GLU 122 OK 80 100 - 80 - 3.9=57, 1.8/4062=13...(11) HD2 ARG 49 + HA GLU 122 OK 25 94 - 26 - ~4064=4, ~4072=3...(11) HB3 LYS 61 + HA GLU 122 OK 15 99 - 15 - 4077/3.0=3, 4069/3.0=3...(7) HG2 GLU 122 + HA LEU 69 OK 12 97 - 12 - 3.0/4074=3, 3.0/4066=3...(5) HD2 ARG 49 + HA LEU 69 OK 11 89 - 12 - 1287/3.0=2, ~1296=1...(5) HG3 PRO 33 - HA GLU 122 poor 10 81 - 12 - 10997/3.0=2, ~10994=2...(6) HD2 ARG 49 - HA LYS 114 poor 10 62 - 15 - 10664/3.0=4, ~1265=2...(6) HB2 LEU 26 - HA GLU 122 lone 9 98 - 9 - 4069/3.0=2, 4077/3.0=2...(4) HB2 LEU 26 - HA LYS 114 poor 8 67 - 13 - 246/3.0=3, 1.8/3732=2...(5) HB2 PRO 129 - HA GLU 122 lone 8 100 - 8 - 4069/3.0=2, 4077/3.0=2...(4) HG2 GLU 122 - HA LYS 114 lone 7 71 - 10 - 3.0/4074=2, 3.0/4066=2...(4) HB2 GLU 131 - HA GLU 122 lone 7 89 - 8 - ~9556=2, 4069/3.0=1, 4077/3.0=1 HG2 PRO 118 - HA LEU 69 lone 6 83 - 7 - ~6680=2, 3969/4.9=1 HB3 LYS 36 - HA LEU 69 lone 5 67 - 8 - 673/4.9=1, 1.8/2003=1 HB3 GLN 62 - HA GLU 122 lone 5 89 - 5 - HB2 PRO 129 - HA LYS 114 lone 4 71 - 5 - 6468/3.0=1 HG2 PRO 118 - HA GLU 122 lone 4 89 - 4 - HB2 LEU 26 - HA LEU 69 lone 3 93 - 4 - HG3 PRO 33 - HA LEU 69 lone 3 76 - 4 - ~1982=1 HB3 LYS 36 - HA LYS 114 lone 3 44 - 7 - 3.9/10785=2 HB3 LYS 36 - HA GLU 122 lone 3 72 - 3 - HB2 GLU 131 - HA LEU 69 lone 2 83 - 3 - HB3 GLN 62 - HA LEU 69 lone 2 83 - 3 - HB2 PRO 129 - HA LEU 69 lone 2 97 - 2 - HG3 PRO 33 - HA LYS 114 lone 2 51 - 3 - HB3 LYS 61 - HA LEU 69 lone 2 95 - 2 - HB3 LYS 61 - HA LYS 114 lone 1 68 - 1 - HB2 GLU 131 - HA LYS 114 lone 1 57 - 1 - HB3 GLN 62 - HA LYS 114 lone 1 57 - 1 - HG2 PRO 118 - HA LYS 114 lone 0 57 - 1 - Peak 4062 from cnoeabs.peaks (2.00, 4.00, 58.31 ppm; 2.88 A): 7 out of 30 assignments used, quality = 0.89: * HG3 GLU 122 + HA GLU 122 OK 67 100 - 67 - 3.9=41, 4078/3.0=10...(11) HG3 PRO 52 + HA GLU 122 OK 36 100 - 36 - 4078/3.0=5, 1.8/4060=5...(10) HB2 GLN 111 + HA LYS 114 OK 15 62 - 24 - ~3615=4, ~3613=4...(11) QE MET 113 + HA LYS 114 OK 13 47 - 28 - 3729/3.0=6, 3723=5...(9) HB3 GLU 37 + HA GLU 122 OK 13 96 - 13 - 4070/3.0=2, 4078/3.0=2...(4) HB2 GLU 37 + HA GLU 122 OK 11 89 - 13 - 4070/3.0=2, 4078/3.0=2...(4) QE MET 113 + HA LEU 69 OK 11 71 - 15 - 9333/3.9=4, 3723=2...(4) HG3 GLU 122 - HA LEU 69 lone 9 97 - 10 - 3.0/4074=2, 3.0/4066=2...(4) QE MET 113 - HA GLU 122 poor 9 77 - 11 - 3723=1, 4070/3.0=1, 4078/3.0=1 HB3 GLU 90 - HA GLU 122 lone 7 100 - 7 - 4070/3.0=1, 4078/3.0=1 HB2 GLN 111 - HA LEU 69 lone 7 89 - 8 - 1.8/2002=1 HB VAL 63 - HA GLU 122 lone 6 68 - 9 - 2.1/11533=2, 4070/3.0=1 HG3 GLU 122 - HA LYS 114 lone 6 71 - 8 - 3.0/4074=1, 3.0/4066=1...(4) QE MET 11 - HA GLU 122 lone 5 100 - 4 - QE MET 11 - HA LYS 114 lone 5 70 - 6 - 10600/3.6=2, 10599/4.8=2 HB3 GLU 90 - HA LYS 114 lone 4 71 - 6 - ~7400=1 HB VAL 63 - HA LEU 69 lone 4 62 - 6 - 2.1/11533=2, 8356/4.1=1 HB2 GLN 111 - HA GLU 122 lone 4 94 - 4 - QE MET 59 - HA LEU 69 lone 3 57 - 6 - 10401=1 HG3 PRO 52 - HA LEU 69 lone 2 96 - 2 - QE MET 11 - HA LEU 69 lone 2 97 - 2 - HB3 GLU 90 - HA LEU 69 lone 2 97 - 2 - QE MET 59 - HA GLU 122 lone 2 62 - 3 - HG3 PRO 52 - HA LYS 114 lone 2 69 - 2 - HB VAL 63 - HA LYS 114 lone 1 41 - 2 - HB3 GLU 37 - HA LEU 69 lone 1 91 - 1 - HB2 GLU 37 - HA LEU 69 lone 1 83 - 1 - HB3 GLU 37 - HA LYS 114 lone 1 65 - 1 - QE MET 59 - HA LYS 114 lone 0 37 - 1 - HB2 GLU 37 - HA LYS 114 lone 0 57 - 1 - Peak 4063 from cnoeabs.peaks (8.46, 4.00, 58.31 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 123 + HA GLU 122 OK 100 100 - 100 - 3.6=100 H GLY 15 - HA GLU 122 OK 28 94 - 30 - 4071/3.0=8, 4079/3.0=7...(5) H LYS 123 - HA LEU 69 OK 18 97 - 18 - 3.1/7512=5, 7524=4...(5) H LYS 123 - HA LYS 114 OK 14 71 - 20 - 7524=4, 3.1/7512=3...(8) H GLY 15 - HA LEU 69 lone 2 89 - 3 - H GLY 15 - HA LYS 114 lone 1 62 - 2 - Peak 4064 from cnoeabs.peaks (3.08, 1.51, 29.51 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.92: * HA TYR 119 + HB2 GLU 122 OK 78 100 - 78 - 4064=33, 3989/1.8=22...(15) HD3 ARG 49 + HB2 GLU 122 OK 57 99 - 58 - 4072/1.8=13, 7505/4.0=8...(20) HA2 GLY 78 + HB2 GLU 122 OK 17 100 - 17 - 8706/11037=5, 7505/4.0=4...(4) HB3 TRP 88 - HB2 GLU 122 lone 4 62 - 7 - 7505/4.0=2, 7519/4.7=1 HB3 ASP 30 - HB2 GLU 122 lone 1 62 - 2 - Peak 4065 from cnoeabs.peaks (7.64, 1.51, 29.51 ppm; 3.47 A): 4 out of 6 assignments used, quality = 0.94: * H GLU 122 + HB2 GLU 122 OK 91 100 - 91 - 4.0=63, 4073/1.8=23...(19) HD21 ASN 130 + HB2 GLU 122 OK 22 98 - 22 - 4073/1.8=6, 4080/3.0=4...(8) H VAL 82 + HB2 GLU 122 OK 13 98 - 14 - 4073/1.8=3, 7523/4.7=2...(6) H LEU 66 + HB2 GLU 122 OK 11 100 - 11 - 4073/1.8=3, 7523/4.7=2...(5) H LYS 93 - HB2 GLU 122 lone 3 62 - 5 - 9038/3.0=1 H LEU 97 - HB2 GLU 122 lone 3 62 - 4 - 4.8/9138=1 Peak 4066 from cnoeabs.peaks (4.00, 1.51, 29.51 ppm; 3.37 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 3.0=100 HB2 SER 138 - HB2 GLU 122 OK 30 100 - 30 - 4074/1.8=4, 9721=4...(14) HB3 SER 138 - HB2 GLU 122 OK 30 100 - 30 - 4074/1.8=4, 9721=4...(14) HA LEU 69 - HB2 GLU 122 OK 25 100 - 25 - 4066=5, 4074/1.8=4...(9) HA LYS 114 - HB2 GLU 122 OK 17 100 - 17 - 4074/1.8=3, 4059=2...(6) HA MET 113 - HB2 GLU 122 OK 16 100 - 16 - 9320/11037=2, 4074/1.8=2...(6) HB3 SER 100 - HB2 GLU 122 lone 4 72 - 5 - HB3 SER 127 - HB2 GLU 122 lone 4 81 - 5 - 9521/8753=1 HB2 SER 103 - HB2 GLU 122 lone 2 72 - 3 - Peak 4067 from cnoeabs.peaks (1.51, 1.51, 29.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 122 + HB2 GLU 122 OK 100 100 - 100 Peak 4068 from cnoeabs.peaks (1.94, 1.51, 29.51 ppm; 3.09 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 1.8=100 HG2 PRO 52 + HB2 GLU 122 OK 65 100 - 65 - 1.8/4070=8, 1369/3.0=6...(43) HB3 PRO 52 + HB2 GLU 122 OK 64 99 - 65 - 2.3/4070=7, 1361/3.0=6...(41) HB3 PRO 98 - HB2 GLU 122 OK 11 85 - 12 - 4068=2, 3.0/9138=1 HB ILE 56 - HB2 GLU 122 lone 5 68 - 7 - HG2 PRO 12 - HB2 GLU 122 lone 3 62 - 5 - HB2 GLN 62 - HB2 GLU 122 lone 3 62 - 5 - HB2 ARG 89 - HB2 GLU 122 lone 3 92 - 3 - HB2 ARG 140 - HB2 GLU 122 lone 1 68 - 2 - Peak 4069 from cnoeabs.peaks (2.08, 1.51, 29.51 ppm; 3.37 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 3.0=100 HD2 ARG 49 - HB2 GLU 122 OK 36 94 - 38 - 1.8/4064=7, 4077/1.8=5...(14) HB3 LYS 61 - HB2 GLU 122 OK 29 99 - 29 - 4077/1.8=5, 4069=4...(11) HB2 LEU 26 - HB2 GLU 122 OK 18 98 - 19 - 4077/1.8=2, 4069=2...(7) HG3 PRO 33 - HB2 GLU 122 OK 18 81 - 22 - 10997=3, 1.8/4069=3...(7) HB2 PRO 129 - HB2 GLU 122 OK 18 100 - 18 - 4069=3, ~10267=2...(4) HB2 GLU 131 - HB2 GLU 122 OK 15 89 - 17 - 4.0/9550=4, 1.8/9556=3...(5) HG2 PRO 118 - HB2 GLU 122 poor 9 89 - 11 - 4077/1.8=1, 4069=1, 11032/9446=1 HB3 GLN 62 - HB2 GLU 122 lone 6 89 - 7 - HB3 LYS 36 - HB2 GLU 122 lone 4 72 - 6 - Peak 4070 from cnoeabs.peaks (2.00, 1.51, 29.51 ppm; 3.32 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 + HB2 GLU 122 OK 67 100 - 68 - 4078/1.8=10, 1.8/4068=10...(36) HB3 GLU 37 - HB2 GLU 122 OK 25 96 - 26 - 4070=4, 4078/1.8=3...(11) HB2 GLU 37 - HB2 GLU 122 OK 23 89 - 26 - 4070=3, 4078/1.8=3...(11) HB3 GLU 90 - HB2 GLU 122 OK 17 100 - 17 - 1.8/4070=2, 4078/1.8=2...(5) QE MET 113 - HB2 GLU 122 OK 14 77 - 18 - 9330/11037=3, 4070=3...(5) HB VAL 63 - HB2 GLU 122 OK 11 68 - 16 - 4070=2, 4078/1.8=2...(6) QE MET 11 - HB2 GLU 122 lone 8 100 - 7 - 44/1.8=2 HB2 GLN 111 - HB2 GLU 122 lone 6 94 - 6 - QE MET 59 - HB2 GLU 122 lone 3 62 - 4 - Peak 4071 from cnoeabs.peaks (8.46, 1.51, 29.51 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.95: * H LYS 123 + HB2 GLU 122 OK 95 100 - 95 - 4.7=67, 4079/1.8=29...(23) H GLY 15 - HB2 GLU 122 OK 29 94 - 30 - 4079/1.8=9, 4086/3.0=6...(5) Peak 4072 from cnoeabs.peaks (3.08, 1.94, 29.51 ppm; 5.10 A): 3 out of 5 assignments used, quality = 0.95: * HA TYR 119 + HB3 GLU 122 OK 81 100 - 81 - 4064/1.8=30, 3989=28...(14) HD3 ARG 49 + HB3 GLU 122 OK 66 99 - 67 - 4064/1.8=16...(21) HA2 GLY 78 + HB3 GLU 122 OK 17 100 - 17 - 4064/1.8=5, 8706/11034=4...(4) HB3 TRP 88 - HB3 GLU 122 lone 6 62 - 9 - 7505/4.0=2, 5.3/8918=2...(4) HB3 ASP 30 - HB3 GLU 122 lone 1 62 - 2 - Peak 4073 from cnoeabs.peaks (7.64, 1.94, 29.51 ppm; 3.48 A): 4 out of 6 assignments used, quality = 0.94: * H GLU 122 + HB3 GLU 122 OK 91 100 - 91 - 4.0=63, 4065/1.8=23...(21) HD21 ASN 130 + HB3 GLU 122 OK 22 98 - 23 - 4065/1.8=5, 1.7/10322=4...(8) H VAL 82 + HB3 GLU 122 OK 13 98 - 13 - 4065/1.8=3, 7523/4.7=2...(6) H LEU 66 + HB3 GLU 122 OK 10 100 - 10 - 4065/1.8=3, 7523/4.7=2...(5) H LYS 93 - HB3 GLU 122 lone 3 62 - 5 - 9038/3.0=1 H LEU 97 - HB3 GLU 122 lone 3 62 - 4 - Peak 4074 from cnoeabs.peaks (4.00, 1.94, 29.51 ppm; 3.35 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 3.0=100 HB2 SER 138 - HB3 GLU 122 OK 25 100 - 25 - 4066/1.8=5, 4081/3.0=3...(12) HB3 SER 138 - HB3 GLU 122 OK 25 100 - 25 - 4066/1.8=5, 4081/3.0=3...(12) HA LEU 69 - HB3 GLU 122 OK 24 100 - 24 - 4060=4, 4066/1.8=4...(9) HA LYS 114 - HB3 GLU 122 OK 16 100 - 16 - 4066/1.8=3, 4060=2...(6) HA MET 113 - HB3 GLU 122 OK 14 100 - 13 - 4066/1.8=3, 4088/3.0=2...(5) HB3 SER 100 - HB3 GLU 122 lone 3 72 - 5 - HB3 SER 127 - HB3 GLU 122 lone 3 81 - 3 - HB2 SER 103 - HB3 GLU 122 lone 2 72 - 2 - Peak 4075 from cnoeabs.peaks (1.51, 1.94, 29.51 ppm; 3.07 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 1.8=100 HB2 LYS 123 + HB3 GLU 122 OK 49 94 - 52 - 3.9/4079=10, 4082/3.0=6...(18) HG2 LYS 34 - HB3 GLU 122 OK 18 85 - 21 - 517=2, 4082/3.0=2...(7) HG3 PRO 57 - HB3 GLU 122 OK 14 89 - 16 - 4089/3.0=1, 4082/3.0=1...(5) QB ALA 135 - HB3 GLU 122 poor 8 68 - 12 - 2.9/9633=1, 4082/3.0=1 HG3 LYS 85 - HB3 GLU 122 lone 7 81 - 8 - HB2 LEU 29 - HB3 GLU 122 lone 3 62 - 5 - Peak 4076 from cnoeabs.peaks (1.94, 1.94, 29.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 122 + HB3 GLU 122 OK 100 100 - 100 Peak 4077 from cnoeabs.peaks (2.08, 1.94, 29.51 ppm; 3.08 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 3.0=100 HD2 ARG 49 - HB3 GLU 122 OK 28 94 - 30 - ~4064=4, 4069/1.8=4...(12) HB3 LYS 61 - HB3 GLU 122 OK 26 99 - 27 - 1673=4, 4069/1.8=3...(13) HG3 PRO 33 - HB3 GLU 122 OK 13 81 - 16 - 10997/1.8=3, ~10994=2...(4) HB2 LEU 26 - HB3 GLU 122 OK 13 98 - 14 - 4069/1.8=2, ~9456=2, 4091/3.0=2 HB2 PRO 129 - HB3 GLU 122 OK 13 100 - 13 - 2.3/10267=3, 4069/1.8=2 HB2 GLU 131 - HB3 GLU 122 OK 12 89 - 13 - 4.0/9549=3, ~9556=2...(4) HG2 PRO 118 - HB3 GLU 122 lone 6 89 - 7 - 4069/1.8=1 HB3 GLN 62 - HB3 GLU 122 lone 5 89 - 6 - HB3 LYS 36 - HB3 GLU 122 lone 3 72 - 4 - Peak 4078 from cnoeabs.peaks (2.00, 1.94, 29.51 ppm; 2.79 A): 4 out of 10 assignments used, quality = 0.94: * HG3 GLU 122 + HB3 GLU 122 OK 86 100 - 86 - 3.0=80, 4062/3.0=7...(7) HG3 PRO 52 + HB3 GLU 122 OK 46 100 - 47 - 4070/1.8=6, 4085/3.0=5...(26) HB3 GLU 37 + HB3 GLU 122 OK 15 96 - 15 - 4070/1.8=2, 4085/3.0=2...(5) HB2 GLU 37 + HB3 GLU 122 OK 13 89 - 15 - 4070/1.8=2, 4085/3.0=1...(4) HB3 GLU 90 - HB3 GLU 122 lone 9 100 - 9 - 4070/1.8=2, 4085/3.0=1, ~4070=1 QE MET 113 - HB3 GLU 122 lone 7 77 - 9 - 4070/1.8=2, 9330/11034=1 QE MET 11 - HB3 GLU 122 lone 6 100 - 6 - 44=1 HB VAL 63 - HB3 GLU 122 lone 6 68 - 9 - 4070/1.8=1 HB2 GLN 111 - HB3 GLU 122 lone 4 94 - 4 - QE MET 59 - HB3 GLU 122 lone 1 62 - 2 - Peak 4079 from cnoeabs.peaks (8.46, 1.94, 29.51 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.95: * H LYS 123 + HB3 GLU 122 OK 95 100 - 95 - 4.7=68, 4071/1.8=29...(19) H GLY 15 - HB3 GLU 122 OK 28 94 - 29 - 4071/1.8=9, 4086/3.0=6...(7) Peak 4080 from cnoeabs.peaks (7.64, 2.08, 35.06 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.96: * H GLU 122 + HG2 GLU 122 OK 96 100 - 96 - 5.2=62, 4073/3.0=25...(18) HD21 ASN 130 - HG2 GLU 122 OK 32 98 - 33 - 4087/1.8=7, 4073/3.0=6...(9) H VAL 82 - HG2 GLU 122 OK 15 98 - 15 - 4065/3.0=4, 4073/3.0=4...(5) H LEU 66 - HG2 GLU 122 OK 14 100 - 14 - 4087/1.8=4, 4065/3.0=3...(4) H LYS 93 - HG2 GLU 122 lone 4 62 - 7 - 9038/3.9=1, 4087/1.8=1 H LEU 97 - HG2 GLU 122 lone 3 62 - 5 - Peak 4081 from cnoeabs.peaks (4.00, 2.08, 35.06 ppm; 3.99 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 3.9=100 HB2 SER 138 - HG2 GLU 122 OK 35 100 - 35 - 4088/1.8=5, 4066/3.0=5...(13) HB3 SER 138 - HG2 GLU 122 OK 35 100 - 35 - 4088/1.8=5, 4066/3.0=5...(13) HA LEU 69 - HG2 GLU 122 OK 19 100 - 19 - 4074/3.0=4, 4081=4...(5) HA MET 113 - HG2 GLU 122 OK 18 100 - 18 - 4088/1.8=3, 4066/3.0=3...(6) HA LYS 114 - HG2 GLU 122 OK 14 100 - 14 - 4074/3.0=3, 4066/3.0=3...(6) HB3 SER 100 - HG2 GLU 122 lone 4 72 - 6 - 4081=1 HB3 SER 127 - HG2 GLU 122 lone 3 81 - 3 - HB2 SER 103 - HG2 GLU 122 lone 2 72 - 3 - Peak 4082 from cnoeabs.peaks (1.51, 2.08, 35.06 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 3.0=100 HB2 LYS 123 + HG2 GLU 122 OK 65 94 - 68 - 4089/1.8=11, 3.9/4086=10...(23) HG2 LYS 34 - HG2 GLU 122 OK 21 85 - 24 - 4089/1.8=3, 4075/3.0=3...(9) HG3 PRO 57 - HG2 GLU 122 OK 15 89 - 17 - 4089/1.8=3, 4075/3.0=2...(6) QB ALA 135 - HG2 GLU 122 poor 9 68 - 14 - 4082=3, 4075/3.0=2...(4) HG3 LYS 85 - HG2 GLU 122 poor 8 81 - 10 - 4082=2, 4089/1.8=1, 4075/3.0=1 HB2 LEU 29 - HG2 GLU 122 lone 5 62 - 7 - 4082=1, 4089/1.8=1 Peak 4083 from cnoeabs.peaks (1.94, 2.08, 35.06 ppm; 3.45 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HG2 GLU 122 OK 71 100 - 72 - 1.8/4085=11, 1369/1.8=10...(31) HB3 PRO 52 + HG2 GLU 122 OK 71 99 - 72 - 1361/1.8=9, 2.3/4085=9...(35) HB3 PRO 98 - HG2 GLU 122 poor 10 85 - 11 - 4083=2, 4068/3.0=1, 4090/1.8=1 HB ILE 56 - HG2 GLU 122 lone 4 68 - 6 - ~9456=1, ~9456=1 HB2 GLN 62 - HG2 GLU 122 lone 4 62 - 6 - HG2 PRO 12 - HG2 GLU 122 lone 3 62 - 5 - HB2 ARG 89 - HG2 GLU 122 lone 3 92 - 3 - HB2 ARG 140 - HG2 GLU 122 lone 1 68 - 1 - Peak 4084 from cnoeabs.peaks (2.08, 2.08, 35.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 122 + HG2 GLU 122 OK 100 100 - 100 Peak 4085 from cnoeabs.peaks (2.00, 2.08, 35.06 ppm; 2.69 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 1.8=100 HG3 PRO 52 + HG2 GLU 122 OK 50 100 - 50 - 4085=7, 1.8/4083=6...(21) HB3 GLU 37 - HG2 GLU 122 OK 15 96 - 15 - 4085=3, 1.8/4085=2...(4) HB2 GLU 37 - HG2 GLU 122 OK 13 89 - 15 - 4085=3, 1.8/4085=2...(4) HB3 GLU 90 - HG2 GLU 122 OK 11 100 - 11 - 1.8/4085=2, 4085=2, 4070/3.0=1 QE MET 113 - HG2 GLU 122 lone 6 77 - 8 - 4085=2, 4070/3.0=1 HB VAL 63 - HG2 GLU 122 lone 6 68 - 9 - 4085=2 QE MET 11 - HG2 GLU 122 lone 5 100 - 4 - HB2 GLN 111 - HG2 GLU 122 lone 3 94 - 3 - QE MET 59 - HG2 GLU 122 lone 1 62 - 2 - Peak 4086 from cnoeabs.peaks (8.46, 2.08, 35.06 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.97: * H LYS 123 + HG2 GLU 122 OK 97 100 - 97 - 4079/3.0=33, 4071/3.0=33...(18) H GLY 15 - HG2 GLU 122 OK 37 94 - 39 - 4093/1.8=11, 4071/3.0=10...(7) Peak 4087 from cnoeabs.peaks (7.64, 2.00, 35.06 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.98: * H GLU 122 + HG3 GLU 122 OK 98 100 - 98 - 5.2=75, 4073/3.0=27...(22) HD21 ASN 130 - HG3 GLU 122 OK 35 98 - 36 - 4080/1.8=8, 4073/3.0=7...(8) H LEU 66 - HG3 GLU 122 OK 17 100 - 17 - 4080/1.8=4, 4065/3.0=3...(5) H VAL 82 - HG3 GLU 122 OK 17 98 - 17 - 4065/3.0=4, 4080/1.8=4...(5) H LYS 93 - HG3 GLU 122 lone 5 62 - 8 - 9038/3.9=2, 4080/1.8=1 H LEU 97 - HG3 GLU 122 lone 4 62 - 7 - Peak 4088 from cnoeabs.peaks (4.00, 2.00, 35.06 ppm; 3.92 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 3.9=100 HB2 SER 138 - HG3 GLU 122 OK 30 100 - 30 - 4081/1.8=6, 4066/3.0=4...(11) HB3 SER 138 - HG3 GLU 122 OK 30 100 - 30 - 4081/1.8=5, 4066/3.0=4...(11) HA MET 113 - HG3 GLU 122 OK 18 100 - 17 - 4081/1.8=3, 4066/3.0=2...(7) HA LEU 69 - HG3 GLU 122 OK 17 100 - 17 - 4074/3.0=4, 4066/3.0=4...(5) HA LYS 114 - HG3 GLU 122 OK 14 100 - 14 - 4074/3.0=3, 4066/3.0=3...(5) HB3 SER 100 - HG3 GLU 122 lone 3 72 - 5 - HB3 SER 127 - HG3 GLU 122 lone 2 81 - 3 - HB2 SER 103 - HG3 GLU 122 lone 2 72 - 2 - Peak 4089 from cnoeabs.peaks (1.51, 2.00, 35.06 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 3.0=100 HB2 LYS 123 + HG3 GLU 122 OK 61 94 - 65 - 4082/1.8=10, 3.9/4093=8...(23) HG2 LYS 34 - HG3 GLU 122 OK 19 85 - 22 - 4082/1.8=3, 4075/3.0=3...(7) HG3 PRO 57 - HG3 GLU 122 OK 15 89 - 17 - 4082/1.8=3, 4075/3.0=2...(5) QB ALA 135 - HG3 GLU 122 poor 8 68 - 12 - 4082/1.8=2, 4075/3.0=2...(4) HG3 LYS 85 - HG3 GLU 122 lone 7 81 - 9 - 4082/1.8=2, 4075/3.0=1 HB2 LEU 29 - HG3 GLU 122 lone 4 62 - 6 - 4082/1.8=1 Peak 4090 from cnoeabs.peaks (1.94, 2.00, 35.06 ppm; 3.52 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HG3 GLU 122 OK 73 100 - 73 - 1369=11, 4083/1.8=10...(32) HB3 PRO 52 + HG3 GLU 122 OK 71 99 - 72 - 1361=10, 4083/1.8=10...(30) HB3 PRO 98 - HG3 GLU 122 poor 9 85 - 11 - 4083/1.8=1, 4068/3.0=1 HB ILE 56 - HG3 GLU 122 lone 5 68 - 7 - 3.0/9456=1, 3.0/9456=1 HB2 GLN 62 - HG3 GLU 122 lone 4 62 - 6 - HB2 ARG 89 - HG3 GLU 122 lone 4 92 - 4 - HG2 PRO 12 - HG3 GLU 122 lone 3 62 - 5 - HB2 ARG 140 - HG3 GLU 122 lone 1 68 - 2 - Peak 4091 from cnoeabs.peaks (2.08, 2.00, 35.06 ppm; 2.73 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 1.8=100 HD2 ARG 49 - HG3 GLU 122 OK 18 94 - 19 - ~4064=2, 4069/3.0=2...(11) HB3 LYS 61 - HG3 GLU 122 OK 16 99 - 16 - 4077/3.0=2, 1.8/4090=2...(6) HB2 LEU 26 - HG3 GLU 122 OK 10 98 - 10 - 3.2/9456=1, 4069/3.0=1...(4) HG3 PRO 33 - HG3 GLU 122 poor 10 81 - 12 - 10997/3.0=2, ~10994=1 HB2 PRO 129 - HG3 GLU 122 lone 9 100 - 9 - 4069/3.0=1, 4077/3.0=1 HB2 GLU 131 - HG3 GLU 122 lone 6 89 - 7 - ~9556=1 HG2 PRO 118 - HG3 GLU 122 lone 4 89 - 5 - HB3 GLN 62 - HG3 GLU 122 lone 3 89 - 4 - HB3 LYS 36 - HG3 GLU 122 lone 3 72 - 3 - Peak 4092 from cnoeabs.peaks (2.00, 2.00, 35.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 122 + HG3 GLU 122 OK 100 100 - 100 Peak 4093 from cnoeabs.peaks (8.46, 2.00, 35.06 ppm; 5.55 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 123 + HG3 GLU 122 OK 98 100 - 98 - 4079/3.0=35, 4071/3.0=35...(24) H GLY 15 - HG3 GLU 122 OK 44 94 - 46 - 4086/1.8=13, 4071/3.0=11...(11) Peak 4094 from cnoeabs.peaks (8.46, 4.02, 55.82 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 123 + HA LYS 123 OK 100 100 - 100 - 2.9=100 H GLY 15 - HA LYS 123 OK 42 94 - 44 - 4106/3.0=10, 4129/3.7=8...(8) Peak 4095 from cnoeabs.peaks (4.02, 4.02, 55.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + HA LYS 123 OK 100 100 - 100 Peak 4096 from cnoeabs.peaks (1.51, 4.02, 55.82 ppm; 3.53 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.0=100 HB2 GLU 122 + HA LYS 123 OK 61 94 - 65 - 4071/2.9=16, ~4079=11...(23) HG3 LYS 76 - HA LYS 123 OK 39 81 - 48 - 3.0/4097=6, 8661/3.7=5...(23) HG3 PRO 57 - HA LYS 123 OK 29 100 - 29 - 4120/3.0=4, 4142/3.7=3...(15) QB ALA 135 - HA LYS 123 OK 26 94 - 28 - 10318/3.7=6, 4590/3.6=5...(9) HD2 LYS 76 - HA LYS 123 OK 24 62 - 39 - 3.5/4097=5, 8663/3.7=5...(18) HG3 LYS 85 - HA LYS 123 OK 14 99 - 14 - 5.1/6948=1, 7530/2.9=1...(4) HG2 LYS 93 - HA LYS 123 lone 6 81 - 7 - 8661/3.7=1 HB2 LEU 29 - HA LYS 123 lone 5 92 - 6 - Peak 4097 from cnoeabs.peaks (1.45, 4.02, 55.82 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.0=100 HB2 LYS 76 + HA LYS 123 OK 65 94 - 69 - 4109/3.0=9, 4122/3.7=8...(34) HB3 LEU 66 - HA LYS 123 OK 29 100 - 29 - 7543/3.6=5, 7531/2.9=4...(14) HG2 LYS 48 - HA LYS 123 OK 21 100 - 21 - 4109/3.0=3, 4132/3.7=2...(10) HG LEU 126 - HA LYS 123 OK 19 77 - 25 - 7543/3.6=6, 4109/3.0=3...(7) HB3 LYS 114 - HA LYS 123 OK 16 77 - 21 - 4109/3.0=2, 7531/2.9=2...(11) Peak 4098 from cnoeabs.peaks (0.34, 4.02, 55.82 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.7=100 Peak 4099 from cnoeabs.peaks (0.39, 4.02, 55.82 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.7=100 QD2 LEU 132 + HA LYS 123 OK 61 96 - 63 - 4111/3.0=13, 7533/2.9=13...(12) Peak 4100 from cnoeabs.peaks (1.12, 4.02, 55.82 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.93: * HD2 LYS 123 + HA LYS 123 OK 88 100 - 88 - 4.7=39, 3.0/4103=16...(21) QB ALA 105 + HA LYS 123 OK 41 100 - 41 - 4112/3.0=7, 4146/3.7=7...(12) Peak 4101 from cnoeabs.peaks (1.22, 4.02, 55.82 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.96: * HD3 LYS 123 + HA LYS 123 OK 92 100 - 92 - 4.7=43, 1.8/4100=29...(21) QG2 THR 107 + HA LYS 123 OK 51 100 - 52 - 3461=11, 4113/3.0=5...(17) HB3 LEU 87 - HA LYS 123 OK 26 68 - 38 - ~9465=8, 4113/3.0=4...(13) HG12 ILE 101 - HA LYS 123 OK 25 77 - 33 - 4167/3.7=6, 4163=5...(10) Peak 4103 from cnoeabs.peaks (2.64, 4.02, 55.82 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.98: * HE3 LYS 123 + HA LYS 123 OK 98 100 - 98 - 6.2=45, 4188/3.7=39...(25) Peak 4104 from cnoeabs.peaks (8.21, 4.02, 55.82 ppm; 4.49 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 124 + HA LYS 123 OK 100 100 - 100 - 3.6=100 H ILE 136 - HA LYS 123 OK 32 99 - 33 - 7538/2.9=6, 4116/3.0=6...(10) H THR 74 - HA LYS 123 OK 28 89 - 32 - 7557/3.6=7, 11678/3.7=7...(7) H MET 11 - HA LYS 123 lone 3 98 - 3 - H ARG 141 - HA LYS 123 lone 1 77 - 2 - Peak 4105 from cnoeabs.peaks (4.16, 1.51, 31.59 ppm; 5.75 A): 3 out of 10 assignments used, quality = 0.94: HA LYS 76 + HB2 LYS 123 OK 71 81 - 87 - ~8650=17, 4117/1.8=17...(26) * HA GLU 120 + HB2 LYS 123 OK 65 100 - 65 - 4012=26, 4013/1.8=24...(9) HA TRP 88 + HB2 LYS 123 OK 42 94 - 45 - 8930/3.0=12, ~8884=10...(11) HG1 THR 74 - HB2 LYS 123 OK 21 94 - 22 - 5.1/4116=7, 9488/4.2=3...(6) HA LEU 64 - HB2 LYS 123 OK 19 92 - 21 - 3.9/10626=4, 4.0/11012=3...(10) HA LEU 126 - HB2 LYS 123 OK 16 68 - 24 - 4.3/4109=4, ~4286=2...(10) HA PHE 38 - HB2 LYS 123 OK 15 96 - 15 - 4.9/4107=4, 4117/1.8=2...(4) HA3 GLY 125 - HB2 LYS 123 OK 14 89 - 16 - ~10327=5, ~10326=5...(4) HB3 SER 44 - HB2 LYS 123 OK 14 100 - 14 - 4117/1.8=2, ~4117=2...(6) HB2 SER 44 - HB2 LYS 123 OK 14 100 - 14 - 4117/1.8=2, ~4117=2...(6) Peak 4106 from cnoeabs.peaks (8.46, 1.51, 31.59 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.9=100 H GLY 15 + HB2 LYS 123 OK 54 94 - 57 - 4129/3.0=11, 4140/3.0=10...(9) Peak 4107 from cnoeabs.peaks (4.02, 1.51, 31.59 ppm; 4.07 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.0=100 HB THR 107 + HB2 LYS 123 OK 71 100 - 71 - 3457/3.7=10, 4152/3.7=9...(23) HA GLU 81 - HB2 LYS 123 OK 27 100 - 27 - 3.6/10325=3, 4119/1.8=3...(12) HA VAL 63 - HB2 LYS 123 OK 26 94 - 28 - 4119/1.8=3, 4130/3.0=3...(13) HA GLU 37 - HB2 LYS 123 OK 25 100 - 25 - 4119/1.8=3, 4152/3.7=3...(10) HB3 SER 100 - HB2 LYS 123 OK 12 94 - 13 - 4130/3.0=1, 4141/3.0=1...(7) HB2 SER 103 - HB2 LYS 123 lone 9 94 - 10 - 4130/3.0=1, 4152/3.7=1 Peak 4108 from cnoeabs.peaks (1.51, 1.51, 31.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 Peak 4109 from cnoeabs.peaks (1.45, 1.51, 31.59 ppm; 3.44 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 1.8=100 HB2 LYS 76 + HB2 LYS 123 OK 69 94 - 73 - 4122/3.0=7, 4165/3.7=6...(36) HB3 LEU 66 - HB2 LYS 123 OK 28 100 - 28 - 7543/4.2=3, 4143/3.0=3...(16) HG2 LYS 48 - HB2 LYS 123 OK 22 100 - 21 - 4132/3.0=2, 4097/3.0=2...(10) HG LEU 126 - HB2 LYS 123 OK 19 77 - 24 - 7543/4.2=4, 4097/3.0=2...(8) HB3 LYS 114 - HB2 LYS 123 OK 15 77 - 20 - ~3745=2, 4097/3.0=2...(10) Peak 4110 from cnoeabs.peaks (0.34, 1.51, 31.59 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.0=100 Peak 4111 from cnoeabs.peaks (0.39, 1.51, 31.59 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.0=100 QD2 LEU 132 + HB2 LYS 123 OK 77 96 - 80 - 4134/3.0=14, 4123/1.8=12...(23) Peak 4112 from cnoeabs.peaks (1.12, 1.51, 31.59 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.7=100 QB ALA 105 + HB2 LYS 123 OK 68 100 - 68 - 4146/3.0=15, 4135/3.0=14...(10) Peak 4113 from cnoeabs.peaks (1.22, 1.51, 31.59 ppm; 4.45 A): 3 out of 4 assignments used, quality = 1.00: * HD3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.7=100 QG2 THR 107 + HB2 LYS 123 OK 72 100 - 72 - 2.1/4107=11, 4101/3.0=11...(17) HB3 LEU 87 + HB2 LYS 123 OK 52 68 - 76 - 3.2/9465=27, 3.1/9465=12...(19) HG12 ILE 101 - HB2 LYS 123 OK 39 77 - 51 - 4167/3.0=11, 4168/3.7=8...(12) Peak 4116 from cnoeabs.peaks (8.21, 1.51, 31.59 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 124 + HB2 LYS 123 OK 100 100 - 100 - 4.2=100 H THR 74 + HB2 LYS 123 OK 45 89 - 51 - 3.6/10656=14...(10) H ILE 136 - HB2 LYS 123 OK 42 99 - 43 - 4104/3.0=7, 4128/1.8=6...(13) H MET 11 - HB2 LYS 123 lone 4 98 - 4 - H ARG 141 - HB2 LYS 123 lone 3 77 - 4 - 10501/10248=1 Peak 4117 from cnoeabs.peaks (4.16, 1.45, 31.59 ppm; 4.29 A): 5 out of 20 assignments used, quality = 0.92: HA LYS 76 + HB3 LYS 123 OK 63 81 - 77 - 4105/1.8=11, ~8650=9...(33) * HA GLU 120 + HB3 LYS 123 OK 41 100 - 41 - 4013=24, 4012/1.8=12, 7520/3.9=8 HA LYS 76 + HB2 LYS 76 OK 35 35 - 100 - 2.9=100 HA TRP 88 + HB3 LYS 123 OK 29 94 - 31 - 8930/3.0=8, 4013=7...(7) HB3 SER 44 + HB2 LYS 76 OK 21 49 - 44 - 2274/3.0=5, 2296/3.5=5...(17) HB2 SER 44 - HB2 LYS 76 OK 21 49 - 43 - 2274/3.0=5, 2296/3.5=5...(17) HA LEU 126 - HB2 LYS 76 OK 19 27 - 70 - 2263/1.8=7, 3.0/4278=6...(29) HA GLU 120 - HB2 LYS 76 OK 13 50 - 26 - 4013=9, 2274/3.0=2...(8) HG1 THR 74 - HB3 LYS 123 OK 11 94 - 11 - 5.1/4128=3, 9488/4.2=2...(5) HA3 GLY 125 - HB2 LYS 76 poor 10 39 - 25 - 3.6/7577=5, 3.0/9489=3...(12) HA LEU 126 - HB3 LYS 123 poor 10 68 - 14 - 4105/1.8=2, 3.0/4278=1...(4) HB3 SER 44 - HB3 LYS 123 lone 9 100 - 9 - 4105/1.8=1, ~4105=1 HB2 SER 44 - HB3 LYS 123 lone 9 100 - 9 - 4105/1.8=1, ~4105=1 HA3 GLY 125 - HB3 LYS 123 lone 9 89 - 10 - ~10326=2, ~10327=2, 4105/1.8=1 HA PHE 38 - HB3 LYS 123 lone 8 96 - 9 - 4.9/4119=2, 4105/1.8=2 HA LEU 64 - HB3 LYS 123 lone 8 92 - 8 - 4105/1.8=1, ~11413=1, ~6609=1 HA PHE 38 - HB2 LYS 76 poor 6 45 - 14 - 796/5.1=1, 2274/3.0=1 HA TRP 88 - HB2 LYS 76 lone 4 43 - 9 - 4013=2, 9266/8654=1, 8930/4122=1 HA LEU 64 - HB2 LYS 76 lone 3 41 - 7 - 4.0/10623=2, 9266/8654=1 HG1 THR 74 - HB2 LYS 76 lone 2 43 - 5 - 5.1/4128=1 Peak 4118 from cnoeabs.peaks (8.46, 1.45, 31.59 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.9=100 H GLY 15 + HB3 LYS 123 OK 54 94 - 57 - 4106/1.8=15, 4129/3.0=12...(8) H LYS 123 - HB2 LYS 76 OK 29 50 - 58 - 7531=10, 2.9/4097=10...(17) H GLY 15 - HB2 LYS 76 lone 4 43 - 9 - 4129/4122=1, 4106/4109=1...(5) Peak 4119 from cnoeabs.peaks (4.02, 1.45, 31.59 ppm; 4.49 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.0=100 HB THR 107 + HB3 LYS 123 OK 78 100 - 78 - 4107/1.8=12, 3457/3.7=11...(22) HA LYS 123 - HB2 LYS 76 OK 40 50 - 80 - 4097=13, 3.0/4109=11...(36) HA VAL 63 - HB3 LYS 123 OK 31 94 - 33 - 4107/1.8=4, 4130/3.0=3...(17) HA GLU 37 - HB3 LYS 123 OK 29 100 - 29 - 4107/1.8=4, 4152/3.7=3...(10) HA GLU 81 - HB3 LYS 123 OK 27 100 - 27 - 4107/1.8=5, 4141/3.0=3...(14) HB3 SER 100 - HB3 LYS 123 OK 15 94 - 16 - 4107/1.8=2, 4130/3.0=2...(7) HB2 SER 103 - HB3 LYS 123 OK 11 94 - 12 - 4107/1.8=2, 4130/3.0=1...(5) HA VAL 63 - HB2 LYS 76 OK 11 43 - 25 - 8355/1.8=4, ~8356=3...(9) HB THR 107 - HB2 LYS 76 poor 6 50 - 13 - 3457/4165=2, 9244/8654=2...(6) HA GLU 81 - HB2 LYS 76 lone 4 49 - 9 - 758/5.1=1, 8820/8655=1 HA GLU 37 - HB2 LYS 76 lone 3 50 - 7 - HB3 SER 100 - HB2 LYS 76 lone 2 43 - 5 - 10118/10123=1 HB2 SER 103 - HB2 LYS 76 lone 1 43 - 2 - Peak 4120 from cnoeabs.peaks (1.51, 1.45, 31.59 ppm; 3.17 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 1.8=100 HB2 GLU 122 + HB3 LYS 123 OK 53 94 - 57 - 4071/3.9=10, ~4075=5...(24) HG3 LYS 76 + HB3 LYS 123 OK 53 81 - 65 - 1.8/2275=6, ~8658=6...(35) HG3 LYS 76 - HB2 LYS 76 OK 35 35 - 100 - 3.0=100 HD2 LYS 76 - HB3 LYS 123 OK 34 62 - 54 - 1.8/2308=7, ~8666=5...(24) HB2 LYS 123 - HB2 LYS 76 OK 33 50 - 67 - 4109=11, 3.0/4122=6...(34) HG3 LYS 85 - HB2 LYS 76 OK 28 48 - 59 - 2618/1.8=6, ~2607=4...(31) HG3 PRO 57 - HB3 LYS 123 OK 28 100 - 28 - 4096/3.0=3, 4142/3.0=3...(15) HD2 LYS 76 - HB2 LYS 76 OK 24 25 - 96 - 3.5=72, 1.8/2308=11...(53) HB2 LEU 29 - HB2 LYS 76 OK 22 41 - 53 - 2278/3.0=4, ~8075=4...(28) QB ALA 135 - HB3 LYS 123 OK 22 94 - 23 - 10318/3.0=5, 4590/4.2=3...(10) HG2 LYS 93 - HB2 LYS 76 OK 18 35 - 53 - 2286=5, 2288/3.0=5...(28) HG3 LYS 85 - HB3 LYS 123 OK 15 99 - 15 - 10049/11146=1...(3) QB ALA 135 - HB2 LYS 76 poor 9 43 - 20 - 2243/2.9=2, ~7727=1...(9) HG2 LYS 93 - HB3 LYS 123 lone 7 81 - 8 - HB2 GLU 122 - HB2 LYS 76 poor 6 43 - 14 - 4.7/7531=3, 11037/8655=2 HB2 LEU 29 - HB3 LYS 123 lone 6 92 - 6 - HG3 PRO 57 - HB2 LYS 76 lone 4 50 - 9 - Peak 4121 from cnoeabs.peaks (1.45, 1.45, 31.59 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 HB2 LYS 76 - HB2 LYS 76 OK 43 43 - 100 Peak 4122 from cnoeabs.peaks (0.34, 1.45, 31.59 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.0=100 HG2 LYS 123 - HB2 LYS 76 OK 44 50 - 89 - 8658/3.0=14, 8666/3.5=12...(44) Peak 4123 from cnoeabs.peaks (0.39, 1.45, 31.59 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.0=100 QD2 LEU 132 + HB3 LYS 123 OK 70 96 - 73 - 4111/1.8=15, 4134/3.0=13...(16) HG3 LYS 123 - HB2 LYS 76 OK 42 50 - 84 - 1.8/4122=12, 4143=11...(38) QD2 LEU 132 - HB2 LYS 76 OK 21 45 - 47 - 8655=17, 10092/3.0=9...(15) Peak 4124 from cnoeabs.peaks (1.12, 1.45, 31.59 ppm; 5.46 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.7=100 QB ALA 105 + HB3 LYS 123 OK 77 100 - 77 - 4112/1.8=19, 4146/3.0=18...(10) HD2 LYS 123 - HB2 LYS 76 OK 44 50 - 89 - 4154=14, 2.9/4122=14...(23) QB ALA 105 - HB2 LYS 76 OK 10 50 - 21 - 4.1/10156=2, 4135/4122=2...(11) Peak 4125 from cnoeabs.peaks (1.22, 1.45, 31.59 ppm; 4.67 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.7=100 QG2 THR 107 + HB3 LYS 123 OK 75 100 - 75 - 4113/1.8=11, 4101/3.0=11...(17) HB3 LEU 87 + HB3 LYS 123 OK 51 68 - 76 - ~9465=21, 3.2/10772=11...(18) HD3 LYS 123 - HB2 LYS 76 OK 41 50 - 82 - 1.8/4154=13, 4165=13...(23) HG12 ILE 101 - HB3 LYS 123 OK 41 77 - 53 - 4167/3.0=12, 4168/3.7=9...(10) HB3 LEU 87 - HB2 LYS 76 OK 22 27 - 80 - ~8897=15, ~8660=14...(21) QG2 THR 107 - HB2 LYS 76 poor 7 50 - 14 - 9246/8654=3, 4158/4154=1...(6) HG12 ILE 101 - HB2 LYS 76 lone 3 32 - 9 - 4167/4143=1, 4168/4154=1 Peak 4128 from cnoeabs.peaks (8.21, 1.45, 31.59 ppm; 5.04 A): 2 out of 10 assignments used, quality = 1.00: * H ARG 124 + HB3 LYS 123 OK 100 100 - 100 - 4.2=100 H THR 74 + HB3 LYS 123 OK 45 89 - 51 - 4116/1.8=10, 11678/3.0=9...(10) H ILE 136 - HB3 LYS 123 OK 41 99 - 42 - 4116/1.8=9, 4104/3.0=8...(11) H ARG 124 - HB2 LYS 76 OK 28 50 - 55 - 4.2/4109=10, 3.6/4097=10...(14) H ILE 136 - HB2 LYS 76 OK 22 48 - 46 - 10464/3.5=18, 6803/4.0=5...(11) H THR 74 - HB2 LYS 76 OK 20 39 - 51 - 6784/4.0=17, 3.6/2164=12...(9) H MET 11 - HB3 LYS 123 lone 4 98 - 4 - H ARG 141 - HB3 LYS 123 lone 2 77 - 3 - H MET 11 - HB2 LYS 76 lone 1 47 - 2 - H ARG 141 - HB2 LYS 76 lone 1 32 - 2 - Peak 4129 from cnoeabs.peaks (8.46, 0.34, 22.91 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 123 + HG2 LYS 123 OK 96 100 - 96 - 5.0=51, 7533/1.8=27...(25) H GLY 15 + HG2 LYS 123 OK 47 94 - 50 - 4140/1.8=12, 4106/3.0=10...(8) Peak 4130 from cnoeabs.peaks (4.02, 0.34, 22.91 ppm; 4.41 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.7=100 HB THR 107 + HG2 LYS 123 OK 77 100 - 77 - 3457/2.9=13, 4141/1.8=12...(21) HA VAL 63 - HG2 LYS 123 OK 28 94 - 30 - 4141/1.8=4, 4152/2.9=4...(12) HA GLU 37 - HG2 LYS 123 OK 28 100 - 28 - 4141/1.8=4, 4152/2.9=4...(9) HA GLU 81 - HG2 LYS 123 OK 23 100 - 23 - 4107/3.0=4, 4141/1.8=4...(9) HB3 SER 100 - HG2 LYS 123 OK 15 94 - 16 - 10118/10124=2...(8) HB2 SER 103 - HG2 LYS 123 OK 11 94 - 11 - 4152/2.9=1, 4141/1.8=1...(4) Peak 4131 from cnoeabs.peaks (1.51, 0.34, 22.91 ppm; 3.92 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 GLU 122 + HG2 LYS 123 OK 77 94 - 82 - 4.7/7532=20, ~9455=8...(33) HG3 LYS 76 + HG2 LYS 123 OK 70 81 - 86 - 1.8/8658=16, 3.0/8666=14...(44) HD2 LYS 76 + HG2 LYS 123 OK 49 62 - 78 - 1.8/8666=18, 3.0/8658=13...(33) HG3 PRO 57 - HG2 LYS 123 OK 39 100 - 40 - 4142/1.8=6, 4120/3.0=5...(18) QB ALA 135 - HG2 LYS 123 OK 34 94 - 36 - 10318/1.8=10, 4590/4.8=4...(13) HG3 LYS 85 - HG2 LYS 123 OK 23 99 - 23 - 10049/10060=3...(8) HG2 LYS 93 - HG2 LYS 123 OK 12 81 - 15 - 8661=2, 2291/8666=1...(4) HB2 LEU 29 - HG2 LYS 123 lone 9 92 - 10 - Peak 4132 from cnoeabs.peaks (1.45, 0.34, 22.91 ppm; 4.20 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 LYS 76 + HG2 LYS 123 OK 87 94 - 92 - 4122=15, 3.0/8658=15...(45) HB3 LEU 66 - HG2 LYS 123 OK 40 100 - 40 - 4143/1.8=5, 3.1/8405=5...(16) HG2 LYS 48 - HG2 LYS 123 OK 31 100 - 30 - 4143/1.8=3, 4109/3.0=3...(13) HG LEU 126 - HG2 LYS 123 OK 28 77 - 37 - 7543/4.8=5, 4109/3.0=3...(16) HB3 LYS 114 - HG2 LYS 123 OK 22 77 - 28 - 4109/3.0=3, 4143/1.8=3...(14) Peak 4133 from cnoeabs.peaks (0.34, 0.34, 22.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 Peak 4134 from cnoeabs.peaks (0.39, 0.34, 22.91 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 1.8=100 QD2 LEU 132 + HG2 LYS 123 OK 58 96 - 60 - 4156/2.9=8, 4167/2.9=8...(18) Peak 4135 from cnoeabs.peaks (1.12, 0.34, 22.91 ppm; 4.60 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 QB ALA 105 + HG2 LYS 123 OK 74 100 - 74 - 4146/1.8=17, 4112/3.0=13...(13) Peak 4136 from cnoeabs.peaks (1.22, 0.34, 22.91 ppm; 4.32 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 QG2 THR 107 + HG2 LYS 123 OK 81 100 - 81 - 4147/1.8=11, 4158/2.9=10...(23) HB3 LEU 87 + HG2 LYS 123 OK 55 68 - 82 - 3.1/10060=17...(29) HG12 ILE 101 + HG2 LYS 123 OK 53 77 - 69 - 4167/1.8=13, 4166=9...(22) Peak 4137 from cnoeabs.peaks (2.35, 0.34, 22.91 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.8=100 HB2 PRO 98 + HG2 LYS 123 OK 56 98 - 58 - 4170/2.9=12, 4159/2.9=12...(11) HB2 GLN 47 - HG2 LYS 123 OK 38 96 - 39 - 4148/1.8=8, 4170/2.9=7...(11) Peak 4138 from cnoeabs.peaks (2.64, 0.34, 22.91 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.8=100 Peak 4140 from cnoeabs.peaks (8.46, 0.39, 22.91 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.99: * H LYS 123 + HG3 LYS 123 OK 99 100 - 99 - 5.0=68, 7532/1.8=45...(24) H GLY 15 + HG3 LYS 123 OK 54 94 - 58 - 4129/1.8=14, 4106/3.0=12...(10) Peak 4141 from cnoeabs.peaks (4.02, 0.39, 22.91 ppm; 4.62 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.7=100 HB THR 107 + HG3 LYS 123 OK 80 100 - 80 - 3457/2.9=13, 4152/2.9=12...(23) HA VAL 63 - HG3 LYS 123 OK 29 94 - 31 - 4130/1.8=4, 4152/2.9=4...(12) HA GLU 37 - HG3 LYS 123 OK 28 100 - 28 - 4130/1.8=4, 4152/2.9=4...(9) HA GLU 81 - HG3 LYS 123 OK 26 100 - 26 - 4107/3.0=4, 4130/1.8=4...(10) HB3 SER 100 - HG3 LYS 123 OK 15 94 - 16 - 4130/1.8=2, 4174/3.8=2...(7) HB2 SER 103 - HG3 LYS 123 OK 11 94 - 11 - 4130/1.8=2, 4152/2.9=1...(6) Peak 4142 from cnoeabs.peaks (1.51, 0.39, 22.91 ppm; 3.96 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 GLU 122 + HG3 LYS 123 OK 78 94 - 83 - 4.7/7533=13, ~11606=10...(31) HG3 LYS 76 + HG3 LYS 123 OK 65 81 - 80 - ~8658=13, ~8663=10...(40) HD2 LYS 76 - HG3 LYS 123 OK 42 62 - 68 - ~8666=13, ~8658=10...(28) HG3 PRO 57 - HG3 LYS 123 OK 40 100 - 40 - 4131/1.8=6, 4120/3.0=5...(18) QB ALA 135 - HG3 LYS 123 OK 40 94 - 42 - 10318=11, 4590/4.8=4...(17) HG3 LYS 85 - HG3 LYS 123 OK 18 99 - 18 - 4131/1.8=2, 4120/3.0=1...(6) HG2 LYS 93 - HG3 LYS 123 lone 8 81 - 10 - 8661/1.8=2 HB2 LEU 29 - HG3 LYS 123 lone 7 92 - 8 - Peak 4143 from cnoeabs.peaks (1.45, 0.39, 22.91 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 LYS 76 + HG3 LYS 123 OK 83 94 - 88 - 4122/1.8=13, ~8658=11...(39) HB3 LEU 66 - HG3 LYS 123 OK 40 100 - 40 - 4132/1.8=5, 4109/3.0=4...(18) HG2 LYS 48 - HG3 LYS 123 OK 27 100 - 27 - 4132/1.8=4, 4109/3.0=3...(11) HG LEU 126 - HG3 LYS 123 OK 23 77 - 30 - 7543/4.8=5, 4132/1.8=4...(15) HB3 LYS 114 - HG3 LYS 123 OK 18 77 - 23 - 4132/1.8=3, 4109/3.0=3...(13) Peak 4144 from cnoeabs.peaks (0.34, 0.39, 22.91 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 4145 from cnoeabs.peaks (0.39, 0.39, 22.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 Peak 4146 from cnoeabs.peaks (1.12, 0.39, 22.91 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 QB ALA 105 + HG3 LYS 123 OK 74 100 - 74 - 4135/1.8=17, 4112/3.0=12...(16) Peak 4147 from cnoeabs.peaks (1.22, 0.39, 22.91 ppm; 4.41 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 QG2 THR 107 + HG3 LYS 123 OK 83 100 - 84 - 4136/1.8=11, 2.1/4141=11...(26) HG12 ILE 101 + HG3 LYS 123 OK 54 77 - 71 - 4167=17, 4168/2.9=9...(22) HB3 LEU 87 + HG3 LYS 123 OK 53 68 - 79 - ~9465=14, ~10060=12...(29) Peak 4148 from cnoeabs.peaks (2.35, 0.39, 22.91 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.8=100 HB2 PRO 98 + HG3 LYS 123 OK 58 98 - 59 - 4170/2.9=13, 4159/2.9=13...(11) HB2 GLN 47 - HG3 LYS 123 OK 41 96 - 42 - 4137/1.8=8, 4170/2.9=8...(12) Peak 4149 from cnoeabs.peaks (2.64, 0.39, 22.91 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.8=100 Peak 4151 from cnoeabs.peaks (8.46, 1.12, 27.29 ppm; 4.36 A): 2 out of 2 assignments used, quality = 0.99: * H LYS 123 + HD2 LYS 123 OK 98 100 - 98 - 6.1=36, 7532/2.9=36...(25) H GLY 15 + HD2 LYS 123 OK 48 94 - 51 - 4129/2.9=11, 4140/2.9=11...(9) Peak 4152 from cnoeabs.peaks (4.02, 1.12, 27.29 ppm; 3.26 A): 2 out of 7 assignments used, quality = 0.93: * HA LYS 123 + HD2 LYS 123 OK 84 100 - 84 - 4.7=34, 4101/1.8=15...(21) HB THR 107 + HD2 LYS 123 OK 55 100 - 55 - 3457/1.8=11, 2.1/4158=9...(20) HA GLU 37 - HD2 LYS 123 OK 17 100 - 17 - ~10331=4, 4163/1.8=3...(8) HA VAL 63 - HD2 LYS 123 OK 17 94 - 18 - 4163/1.8=3, ~9468=2...(9) HA GLU 81 - HD2 LYS 123 OK 11 100 - 11 - 4163/1.8=2, 4107/3.7=2...(7) HB3 SER 100 - HD2 LYS 123 lone 7 94 - 7 - 4163/1.8=1, 4174/3.0=1 HB2 SER 103 - HD2 LYS 123 lone 7 94 - 7 - Peak 4153 from cnoeabs.peaks (1.51, 1.12, 27.29 ppm; 3.64 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LYS 123 + HD2 LYS 123 OK 99 100 - 99 - 3.7=94, 3.0/4100=23...(25) HB2 GLU 122 + HD2 LYS 123 OK 64 94 - 68 - 3.0/9453=10, 4.7/4151=10...(21) HG3 LYS 76 + HD2 LYS 123 OK 50 81 - 62 - ~8658=8, 3.0/4154=7...(25) HD2 LYS 76 - HD2 LYS 123 OK 28 62 - 45 - ~8666=8, 3.5/4154=6...(19) HG3 PRO 57 - HD2 LYS 123 OK 23 100 - 23 - 4142/2.9=4, 4131/2.9=4...(8) QB ALA 135 - HD2 LYS 123 OK 20 94 - 21 - 10318/2.9=7, 4164/1.8=3...(9) HG3 LYS 85 - HD2 LYS 123 lone 10 99 - 10 - 4131/2.9=1, 4164/1.8=1 HG2 LYS 93 - HD2 LYS 123 lone 5 81 - 6 - 8661/2.9=1 HB2 LEU 29 - HD2 LYS 123 lone 5 92 - 5 - Peak 4154 from cnoeabs.peaks (1.45, 1.12, 27.29 ppm; 3.87 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.7=100 HB2 LYS 76 + HD2 LYS 123 OK 64 94 - 68 - 4165/1.8=12, 4122/2.9=9...(23) HB3 LEU 66 - HD2 LYS 123 OK 22 100 - 22 - 4165/1.8=4, 4143/2.9=4...(9) HG2 LYS 48 - HD2 LYS 123 OK 16 100 - 16 - 4165/1.8=3, 4132/2.9=3...(7) HG LEU 126 - HD2 LYS 123 OK 12 77 - 15 - 4132/2.9=2, 4109/3.7=2...(8) HB3 LYS 114 - HD2 LYS 123 poor 9 77 - 12 - 4109/3.7=2, 4132/2.9=2...(6) Peak 4155 from cnoeabs.peaks (0.34, 1.12, 27.29 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 4156 from cnoeabs.peaks (0.39, 1.12, 27.29 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 2.9=100 QD2 LEU 132 + HD2 LYS 123 OK 63 96 - 65 - 4167/1.8=14, 4134/2.9=13...(14) Peak 4157 from cnoeabs.peaks (1.12, 1.12, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 Peak 4158 from cnoeabs.peaks (1.22, 1.12, 27.29 ppm; 2.56 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 1.8=100 QG2 THR 107 - HD2 LYS 123 OK 40 100 - 40 - 2.1/4152=5, 4191/3.0=4...(21) HG12 ILE 101 - HD2 LYS 123 OK 27 77 - 35 - 4168=6, 4171/3.0=3...(18) HB3 LEU 87 - HD2 LYS 123 OK 18 68 - 26 - 4147/2.9=2, 4136/2.9=2...(19) Peak 4159 from cnoeabs.peaks (2.35, 1.12, 27.29 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 PRO 98 + HD2 LYS 123 OK 64 98 - 66 - 4170/1.8=12, 4192/3.0=10...(21) HB2 GLN 47 - HD2 LYS 123 OK 39 96 - 40 - 4170/1.8=7, 4192/3.0=5...(16) Peak 4160 from cnoeabs.peaks (2.64, 1.12, 27.29 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.0=100 Peak 4163 from cnoeabs.peaks (4.02, 1.22, 27.29 ppm; 3.44 A): 2 out of 7 assignments used, quality = 0.97: * HA LYS 123 + HD3 LYS 123 OK 90 100 - 90 - 4.7=39, 4100/1.8=27...(21) HB THR 107 + HD3 LYS 123 OK 66 100 - 66 - 3457=15, 4152/1.8=10...(22) HA VAL 63 - HD3 LYS 123 OK 20 94 - 21 - 4152/1.8=3, ~9468=2...(10) HA GLU 37 - HD3 LYS 123 OK 20 100 - 20 - ~10331=5, 4152/1.8=3...(8) HA GLU 81 - HD3 LYS 123 OK 12 100 - 12 - 4152/1.8=2, 4107/3.7=2...(7) HB3 SER 100 - HD3 LYS 123 poor 10 94 - 10 - 4152/1.8=1, 4174/3.0=1...(4) HB2 SER 103 - HD3 LYS 123 lone 7 94 - 7 - 4152/1.8=1 Peak 4164 from cnoeabs.peaks (1.51, 1.22, 27.29 ppm; 2.51 A): 4 out of 9 assignments used, quality = 0.84: * HB2 LYS 123 + HD3 LYS 123 OK 69 100 - 69 - 3.7=31, 1.8/4165=12...(21) HB2 GLU 122 + HD3 LYS 123 OK 24 94 - 26 - 4153/1.8=3, ~9453=3...(13) HG3 LYS 76 + HD3 LYS 123 OK 22 81 - 27 - 3.0/4165=4, ~8658=3...(13) HD2 LYS 76 + HD3 LYS 123 OK 13 62 - 21 - 3.5/4165=3, ~8666=3...(9) HG3 PRO 57 - HD3 LYS 123 lone 10 100 - 10 - 4142/2.9=2, 4120/3.7=2...(5) QB ALA 135 - HD3 LYS 123 lone 9 94 - 9 - 10318/2.9=3, 4153/1.8=1 HG3 LYS 85 - HD3 LYS 123 lone 4 99 - 4 - HG2 LYS 93 - HD3 LYS 123 lone 2 81 - 3 - HB2 LEU 29 - HD3 LYS 123 lone 2 92 - 2 - Peak 4165 from cnoeabs.peaks (1.45, 1.22, 27.29 ppm; 3.03 A): 4 out of 6 assignments used, quality = 0.94: * HB3 LYS 123 + HD3 LYS 123 OK 87 100 - 87 - 3.7=54, 1.8/4164=18...(21) HB2 LYS 76 + HD3 LYS 123 OK 44 94 - 47 - 4154/1.8=6, 4122/2.9=5...(21) HB3 LEU 66 + HD3 LYS 123 OK 13 100 - 13 - 4154/1.8=2, 4143/2.9=2...(8) HG2 LYS 48 + HD3 LYS 123 OK 10 100 - 10 - 4154/1.8=2, 4132/2.9=2...(5) HG LEU 126 - HD3 LYS 123 lone 7 77 - 9 - 4109/3.7=1, 4132/2.9=1...(4) HB3 LYS 114 - HD3 LYS 123 lone 6 77 - 8 - 4154/1.8=1, 4109/3.7=1...(4) Peak 4166 from cnoeabs.peaks (0.34, 1.22, 27.29 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 4167 from cnoeabs.peaks (0.39, 1.22, 27.29 ppm; 3.80 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 2.9=100 QD2 LEU 132 + HD3 LYS 123 OK 63 96 - 66 - 4156/1.8=14, 4134/2.9=13...(14) Peak 4168 from cnoeabs.peaks (1.12, 1.22, 27.29 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 1.8=100 QB ALA 105 - HD3 LYS 123 OK 34 100 - 34 - 4179/3.0=5, 4190/3.0=5...(12) Peak 4169 from cnoeabs.peaks (1.22, 1.22, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 Peak 4170 from cnoeabs.peaks (2.35, 1.22, 27.29 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 PRO 98 + HD3 LYS 123 OK 67 98 - 68 - 4159/1.8=12, 4192/3.0=10...(23) HB2 GLN 47 - HD3 LYS 123 OK 40 96 - 41 - 4159/1.8=7, 4192/3.0=5...(16) Peak 4171 from cnoeabs.peaks (2.64, 1.22, 27.29 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 3.0=100 Peak 4174 from cnoeabs.peaks (4.02, 2.35, 41.80 ppm; 4.48 A): 2 out of 7 assignments used, quality = 0.99: * HA LYS 123 + HE2 LYS 123 OK 98 100 - 98 - 6.2=37, 3.7/4177=35...(25) HB THR 107 + HE2 LYS 123 OK 71 100 - 71 - 3457/3.0=13, 2.1/4180=12...(16) HA GLU 37 - HE2 LYS 123 OK 35 100 - 35 - 2.8/10331=16, 4185/1.8=4...(9) HA VAL 63 - HE2 LYS 123 OK 30 94 - 32 - 3.0/9468=8, 4185/1.8=4...(10) HA GLU 81 - HE2 LYS 123 OK 20 100 - 20 - 4107/4.8=3, 4141/3.8=3...(9) HB3 SER 100 - HE2 LYS 123 OK 18 94 - 19 - 4.1/9167=8, 4163/3.0=2...(8) HB2 SER 103 - HE2 LYS 123 OK 10 94 - 11 - 4152/3.0=1, 4163/3.0=1...(5) Peak 4175 from cnoeabs.peaks (1.51, 2.35, 41.80 ppm; 4.22 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 123 + HE2 LYS 123 OK 99 100 - 99 - 4.8=69, 3.0/4177=38...(28) HB2 GLU 122 + HE2 LYS 123 OK 64 94 - 68 - 4.7/10333=12, ~9455=9...(17) HG3 LYS 76 - HE2 LYS 123 OK 40 81 - 49 - 8661/3.8=7, 4164/3.0=6...(18) HG3 PRO 57 - HE2 LYS 123 OK 27 100 - 27 - 4142/3.8=5, 4131/3.8=4...(8) QB ALA 135 - HE2 LYS 123 OK 22 94 - 23 - 10318/3.8=8, 4186/1.8=3...(9) HD2 LYS 76 - HE2 LYS 123 OK 21 62 - 33 - 8663/3.8=7, 3.5/4176=5...(12) HG3 LYS 85 - HE2 LYS 123 lone 10 99 - 10 - 4131/3.8=2, 4164/3.0=1...(5) HG2 LYS 93 - HE2 LYS 123 lone 6 81 - 7 - 8661/3.8=1 HB2 LEU 29 - HE2 LYS 123 lone 5 92 - 6 - Peak 4176 from cnoeabs.peaks (1.45, 2.35, 41.80 ppm; 5.08 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 4.8=100 HB2 LYS 76 + HE2 LYS 123 OK 62 94 - 66 - 4165/3.0=13, 4154/3.0=12...(15) HB3 LEU 66 - HE2 LYS 123 OK 28 100 - 28 - 4143/3.8=5, 4132/3.8=5...(8) HG2 LYS 48 - HE2 LYS 123 OK 25 100 - 25 - 4.9/6436=4, 4132/3.8=4...(8) HG LEU 126 - HE2 LYS 123 OK 16 77 - 21 - 4132/3.8=4, 4143/3.8=3...(7) HB3 LYS 114 - HE2 LYS 123 OK 14 77 - 18 - 4132/3.8=3, 4143/3.8=3...(7) Peak 4177 from cnoeabs.peaks (0.34, 2.35, 41.80 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.94: * HG2 LYS 123 + HE2 LYS 123 OK 94 100 - 94 - 3.8=72, 4188/1.8=36...(17) Peak 4178 from cnoeabs.peaks (0.39, 2.35, 41.80 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.97: * HG3 LYS 123 + HE2 LYS 123 OK 94 100 - 94 - 3.8=72, 1.8/4177=36...(14) QD2 LEU 132 + HE2 LYS 123 OK 44 96 - 45 - 4189/1.8=11, 4156/3.0=9...(8) Peak 4179 from cnoeabs.peaks (1.12, 2.35, 41.80 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.0=100 QB ALA 105 + HE2 LYS 123 OK 49 100 - 49 - 4190/1.8=12, 4168/3.0=9...(13) Peak 4180 from cnoeabs.peaks (1.22, 2.35, 41.80 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.0=100 QG2 THR 107 + HE2 LYS 123 OK 57 100 - 57 - 4191/1.8=9, 4158/3.0=8...(19) HG12 ILE 101 - HE2 LYS 123 OK 40 77 - 52 - 4171/1.8=9, 4168/3.0=7...(24) HB3 LEU 87 - HE2 LYS 123 OK 23 68 - 34 - 4158/3.0=5, 4191/1.8=4...(17) Peak 4181 from cnoeabs.peaks (2.35, 2.35, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 Peak 4182 from cnoeabs.peaks (2.64, 2.35, 41.80 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 4185 from cnoeabs.peaks (4.02, 2.64, 41.80 ppm; 4.79 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 123 + HE3 LYS 123 OK 98 100 - 98 - 4103=50, 3.7/4188=39...(25) HB THR 107 + HE3 LYS 123 OK 74 100 - 74 - 3457/3.0=14, 4152/3.0=12...(16) HA GLU 37 - HE3 LYS 123 OK 34 100 - 34 - ~10331=13, 4174/1.8=5...(9) HA VAL 63 - HE3 LYS 123 OK 31 94 - 33 - ~9468=7, 4174/1.8=5...(11) HA GLU 81 - HE3 LYS 123 OK 20 100 - 20 - 4174/1.8=3, 4107/4.8=3...(8) HB3 SER 100 - HE3 LYS 123 OK 13 94 - 14 - 4174/1.8=3, 4163/3.0=2...(7) HB2 SER 103 - HE3 LYS 123 lone 10 94 - 10 - 4174/1.8=2, 4152/3.0=2...(5) Peak 4186 from cnoeabs.peaks (1.51, 2.64, 41.80 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 123 + HE3 LYS 123 OK 99 100 - 99 - 4.8=71, 3.0/4188=39...(26) HB2 GLU 122 + HE3 LYS 123 OK 67 94 - 71 - 4.7/7537=16, ~9455=9...(17) HG3 LYS 76 - HE3 LYS 123 OK 40 81 - 49 - 8661/3.8=7, 4164/3.0=6...(18) HG3 PRO 57 - HE3 LYS 123 OK 27 100 - 27 - 4142/3.8=5, 4131/3.8=5...(8) QB ALA 135 - HE3 LYS 123 OK 22 94 - 23 - 10318/3.8=8, 4175/1.8=3...(9) HD2 LYS 76 - HE3 LYS 123 OK 21 62 - 33 - 8663/3.8=7, 3.5/4187=5...(12) HG3 LYS 85 - HE3 LYS 123 lone 10 99 - 10 - 4131/3.8=2, 4175/1.8=1...(5) HG2 LYS 93 - HE3 LYS 123 lone 6 81 - 7 - 8661/3.8=1 HB2 LEU 29 - HE3 LYS 123 lone 5 92 - 5 - Peak 4187 from cnoeabs.peaks (1.45, 2.64, 41.80 ppm; 5.48 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 4.8=100 HB2 LYS 76 + HE3 LYS 123 OK 65 94 - 69 - 4154/3.0=13, 4165/3.0=13...(14) HB3 LEU 66 - HE3 LYS 123 OK 30 100 - 30 - 4143/3.8=5, 4132/3.8=5...(8) HG2 LYS 48 - HE3 LYS 123 OK 25 100 - 25 - 4176/1.8=5, 4132/3.8=4...(8) HG LEU 126 - HE3 LYS 123 OK 17 77 - 22 - 4132/3.8=4, 4143/3.8=4...(8) HB3 LYS 114 - HE3 LYS 123 OK 15 77 - 19 - 4132/3.8=3, 4143/3.8=3...(8) Peak 4188 from cnoeabs.peaks (0.34, 2.64, 41.80 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.94: * HG2 LYS 123 + HE3 LYS 123 OK 94 100 - 94 - 3.8=69, 4177/1.8=35...(16) Peak 4189 from cnoeabs.peaks (0.39, 2.64, 41.80 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.96: * HG3 LYS 123 + HE3 LYS 123 OK 96 100 - 96 - 3.8=75, 1.8/4188=37...(17) QD2 LEU 132 - HE3 LYS 123 OK 44 96 - 46 - 4178/1.8=12, 4156/3.0=10...(8) Peak 4190 from cnoeabs.peaks (1.12, 2.64, 41.80 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.0=100 QB ALA 105 + HE3 LYS 123 OK 55 100 - 55 - 4179/1.8=13...(13) Peak 4191 from cnoeabs.peaks (1.22, 2.64, 41.80 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.0=100 QG2 THR 107 + HE3 LYS 123 OK 52 100 - 52 - 4180/1.8=9, 4158/3.0=7...(19) HG12 ILE 101 - HE3 LYS 123 OK 38 77 - 49 - 4171=9, 4168/3.0=6...(22) HB3 LEU 87 - HE3 LYS 123 OK 21 68 - 31 - 4158/3.0=4, 4180/1.8=4...(17) Peak 4192 from cnoeabs.peaks (2.35, 2.64, 41.80 ppm; 2.54 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 1.8=100 HB2 PRO 98 - HE3 LYS 123 OK 35 98 - 36 - ~9469=5, ~9469=4...(19) HB2 GLN 47 - HE3 LYS 123 OK 17 96 - 18 - 4170/3.0=2, 4159/3.0=2...(8) Peak 4193 from cnoeabs.peaks (2.64, 2.64, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 Peak 4195 from cnoeabs.peaks (8.21, 4.62, 54.27 ppm; 3.73 A): 2 out of 10 assignments used, quality = 1.00: * H ARG 124 + HA ARG 124 OK 100 100 - 100 - 3.0=100 H MET 11 + HA ARG 124 OK 46 98 - 48 - 11245=15, 4213/3.0=5...(16) H THR 74 - HA ARG 124 OK 34 89 - 38 - 7557/3.0=6, 7559/3.6=6...(14) H ILE 136 - HA ARG 124 OK 32 99 - 32 - 7557/3.0=6, 7559/3.6=5...(12) H ARG 124 - HA ASP 16 OK 13 50 - 26 - 7550=7, 3.9/4214=3...(12) H ARG 141 - HA ARG 124 lone 7 77 - 9 - 4222/3.8=1, 4249/5.2=1 H ILE 136 - HA ASP 16 lone 2 47 - 4 - H MET 11 - HA ASP 16 lone 1 46 - 3 - H THR 74 - HA ASP 16 lone 1 39 - 3 - H ARG 141 - HA ASP 16 lone 0 32 - 1 - Peak 4196 from cnoeabs.peaks (4.62, 4.62, 54.27 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ARG 124 + HA ARG 124 OK 100 100 - 100 HA ASP 16 - HA ASP 16 OK 45 45 - 100 Peak 4197 from cnoeabs.peaks (1.80, 4.62, 54.27 ppm; 5.73 A): 6 out of 16 assignments used, quality = 1.00: * HB2 ARG 124 + HA ARG 124 OK 100 100 - 100 - 3.0=100 HD2 LYS 34 + HA ARG 124 OK 65 89 - 73 - 3.4/10799=18, 3.4/4198=7...(34) HB3 LEU 72 + HA ARG 124 OK 64 94 - 68 - ~11609=7, 4215/3.0=6...(26) HD3 LYS 34 + HA ARG 124 OK 64 89 - 72 - 3.4/10799=18, 3.4/4198=7...(33) HB3 ARG 145 + HA ARG 124 OK 60 85 - 70 - 4224/3.8=8, ~4948=8...(24) HB2 MET 11 + HA ARG 124 OK 57 68 - 85 - 4.0/11245=14, ~29=12...(30) HD3 LYS 86 - HA ARG 124 OK 32 100 - 31 - 3.0/10671=3, 7561/3.6=3...(16) HB2 ARG 124 - HA ASP 16 OK 27 50 - 55 - 4205=9, 1.8/4214=9...(15) HB3 LYS 24 - HA ARG 124 OK 20 99 - 20 - ~11323=2, ~4215=2...(10) HB3 LYS 24 - HA ASP 16 poor 9 47 - 18 - 11353/3.6=9, ~11356=8 HD2 LYS 34 - HA ASP 16 lone 3 39 - 7 - 3.4/10519=1, 3.4/10799=1 HD3 LYS 34 - HA ASP 16 lone 3 39 - 7 - 3.4/10519=1, 3.4/10799=1 HB3 LEU 72 - HA ASP 16 lone 2 43 - 4 - HB3 ARG 145 - HA ASP 16 lone 2 37 - 5 - HB2 MET 11 - HA ASP 16 lone 1 27 - 5 - HD3 LYS 86 - HA ASP 16 lone 1 49 - 3 - Peak 4198 from cnoeabs.peaks (1.97, 4.62, 54.27 ppm; 4.08 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 124 + HA ARG 124 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HA ARG 124 OK 53 77 - 69 - 4.0/11245=9, 4207/3.0=8...(28) HB2 LYS 34 - HA ARG 124 OK 43 81 - 53 - 1.8/10799=15, 4207/3.0=5...(20) HB3 GLU 75 - HA ARG 124 OK 40 100 - 40 - 3.0/9775=8, 7552/3.0=5...(14) HB2 GLU 142 - HA ARG 124 OK 28 85 - 33 - 3.0/10379=9, 4207/3.0=3...(15) HB3 ARG 124 - HA ASP 16 OK 18 50 - 36 - 4214=7, 1.8/4205=5...(13) QE MET 59 - HA ARG 124 lone 3 62 - 5 - HB2 LYS 34 - HA ASP 16 lone 2 34 - 5 - 1.8/10799=1 HB3 GLU 75 - HA ASP 16 lone 1 49 - 2 - HB3 MET 11 - HA ASP 16 lone 1 32 - 4 - HB2 GLU 142 - HA ASP 16 lone 1 37 - 2 - QE MET 59 - HA ASP 16 lone 0 25 - 2 - Peak 4199 from cnoeabs.peaks (1.66, 4.62, 54.27 ppm; 5.58 A): 4 out of 28 assignments used, quality = 1.00: * HG2 ARG 124 + HA ARG 124 OK 100 100 - 100 - 3.8=100 HB2 ARG 145 + HA ARG 124 OK 57 96 - 60 - 4948/3.0=8, 4217/3.0=7...(20) HG13 ILE 136 + HA ARG 124 OK 54 89 - 61 - ~4611=8, ~4635=8...(17) HG2 ARG 140 + HA ARG 124 OK 50 92 - 55 - 2.9/4202=9, 2.9/4202=9...(14) HB2 LEU 95 - HA ARG 124 OK 32 100 - 32 - 4217/3.0=4, 3.1/10673=3...(14) HB VAL 71 - HA ARG 124 OK 26 100 - 27 - 10593/10342=3, ~2083=3...(13) HB2 MET 68 - HA ARG 124 OK 25 100 - 25 - 4217/3.0=2, 4208/3.0=2...(12) HG2 ARG 124 - HA ASP 16 OK 22 50 - 45 - 4223=9, 3.0/4205=8...(9) HB2 LEU 95 - HA ASP 16 OK 22 48 - 46 - 11581/3.0=35, ~11580=8...(4) HG2 ARG 89 - HA ARG 124 OK 20 100 - 19 - 4217/3.0=2, 2881/5.2=2...(11) HB2 PRO 57 - HA ARG 124 OK 19 72 - 26 - ~7542=3, 4217/3.0=2...(12) HB2 LYS 114 - HA ARG 124 OK 15 77 - 19 - 4217/3.0=3, 1.8/10671=2...(8) HD2 LYS 48 - HA ARG 124 OK 13 100 - 13 - ~7543=2, 7553/3.0=1, 10750/5.2=1 HD3 LYS 48 - HA ARG 124 OK 12 85 - 14 - ~7543=2, 7553/3.0=1...(4) HD3 LYS 93 - HA ARG 124 poor 10 77 - 13 - 10257/10342=2...(3) HD2 LYS 93 - HA ARG 124 poor 7 62 - 10 - HD3 LYS 93 - HA ASP 16 poor 6 32 - 19 - ~11356=17 HD2 LYS 93 - HA ASP 16 poor 5 25 - 18 - ~11356=17 HG13 ILE 136 - HA ASP 16 lone 3 39 - 7 - 2.1/10756=1 HB2 MET 68 - HA ASP 16 lone 3 49 - 5 - HG2 ARG 140 - HA ASP 16 lone 3 41 - 6 - HB2 ARG 145 - HA ASP 16 lone 2 45 - 5 - HB2 LYS 114 - HA ASP 16 lone 2 32 - 6 - HB VAL 71 - HA ASP 16 lone 2 48 - 4 - HG2 ARG 89 - HA ASP 16 lone 1 48 - 3 - HD2 LYS 48 - HA ASP 16 lone 1 48 - 2 - HB2 PRO 57 - HA ASP 16 lone 1 30 - 3 - HD3 LYS 48 - HA ASP 16 lone 1 37 - 2 - Peak 4200 from cnoeabs.peaks (1.58, 4.62, 54.27 ppm; 3.76 A): 2 out of 18 assignments used, quality = 1.00: * HG3 ARG 124 + HA ARG 124 OK 99 100 - 99 - 3.8=93, 3.0/4250=20...(18) HB2 LEU 126 + HA ARG 124 OK 70 92 - 77 - 3.1/10342=17...(25) HG3 ARG 109 - HA ARG 124 OK 44 100 - 44 - 3.0/4201=7, 4209/3.0=6...(17) HG2 ARG 145 - HA ARG 124 OK 35 92 - 38 - 4209/3.0=4, 4227/3.8=3...(22) HG3 ARG 145 - HA ARG 124 OK 32 85 - 37 - 4209/3.0=4, 4227/3.8=3...(22) HG2 ARG 109 - HA ARG 124 OK 26 68 - 39 - 3.0/4201=7, ~4209=3...(15) HB2 LEU 66 - HA ARG 124 OK 26 96 - 27 - ~9475=7, 7554/3.0=4...(10) HG3 ARG 124 - HA ASP 16 OK 12 50 - 24 - 3.0/4250=4, 3.0/4241=4...(8) HD3 LYS 85 - HA ARG 124 lone 7 100 - 7 - HD2 LYS 85 - HA ARG 124 lone 7 85 - 8 - HB2 LEU 126 - HA ASP 16 lone 3 41 - 6 - 3.1/10342=2 HG3 ARG 109 - HA ASP 16 lone 1 49 - 3 - HB2 LEU 66 - HA ASP 16 lone 1 45 - 2 - HG2 ARG 145 - HA ASP 16 lone 1 41 - 2 - HG3 ARG 145 - HA ASP 16 lone 1 37 - 2 - HD3 LYS 85 - HA ASP 16 lone 1 49 - 1 - HG2 ARG 109 - HA ASP 16 lone 0 27 - 2 - HD2 LYS 85 - HA ASP 16 lone 0 37 - 1 - Peak 4201 from cnoeabs.peaks (3.30, 4.62, 54.27 ppm; 3.93 A): 4 out of 8 assignments used, quality = 0.94: * HD2 ARG 124 + HA ARG 124 OK 85 100 - 85 - 5.2=43, 1.8/4250=28...(19) HD3 ARG 109 + HA ARG 124 OK 47 100 - 47 - 4237/3.8=8, 4228/3.8=8...(16) HB2 TRP 88 + HA ARG 124 OK 21 100 - 21 - 4237/3.8=4, 4228/3.8=4...(7) HD2 ARG 124 + HA ASP 16 OK 13 50 - 27 - 4241=8, 1.8/4250=6...(8) HB3 TRP 17 - HA ARG 124 lone 3 89 - 4 - 4.0/6043=2 HB3 TRP 17 - HA ASP 16 lone 2 39 - 6 - 4.0/153=5 HD3 ARG 109 - HA ASP 16 lone 2 48 - 4 - HB2 TRP 88 - HA ASP 16 lone 1 49 - 2 - Peak 4202 from cnoeabs.peaks (3.22, 4.62, 54.27 ppm; 3.68 A): 5 out of 14 assignments used, quality = 0.93: * HD3 ARG 124 + HA ARG 124 OK 79 100 - 79 - 5.2=35, 1.8/4241=24...(19) HD3 ARG 140 + HA ARG 124 OK 36 100 - 36 - 4229/3.8=6, 4238/3.8=6...(14) HD2 ARG 140 + HA ARG 124 OK 33 96 - 34 - 4229/3.8=6, 4238/3.8=6...(14) HD3 ARG 124 + HA ASP 16 OK 12 50 - 23 - 4250=7, 1.8/4241=6...(7) HB3 TYR 117 + HA ARG 124 OK 11 100 - 11 - 4.5/4730=7 HG3 MET 46 - HA ARG 124 lone 4 100 - 4 - HD3 ARG 141 - HA ARG 124 lone 3 81 - 4 - HD2 ARG 141 - HA ARG 124 lone 2 62 - 3 - HD3 ARG 140 - HA ASP 16 lone 1 49 - 3 - HD2 ARG 140 - HA ASP 16 lone 1 45 - 2 - HB3 TYR 117 - HA ASP 16 lone 1 49 - 2 - 4.5/4730=1 HG3 MET 46 - HA ASP 16 lone 0 49 - 1 - HD3 ARG 141 - HA ASP 16 lone 0 34 - 1 - HD2 ARG 141 - HA ASP 16 lone 0 25 - 0 - Peak 4203 from cnoeabs.peaks (8.23, 4.62, 54.27 ppm; 3.73 A): 1 out of 8 assignments used, quality = 1.00: * H GLY 125 + HA ARG 124 OK 100 100 - 100 - 3.6=100 H THR 74 - HA ARG 124 OK 42 94 - 45 - 7557/3.0=11, 4221/3.0=7...(13) H ILE 136 - HA ARG 124 OK 25 77 - 32 - 7557/3.0=10, 4221/3.0=4...(11) H GLY 125 - HA ASP 16 poor 8 50 - 15 - 7560=4, 4.6/4214=3...(6) H THR 74 - HA ASP 16 lone 2 43 - 4 - H ILE 136 - HA ASP 16 lone 1 32 - 4 - H THR 102 - HA ARG 124 lone 1 62 - 2 - H THR 102 - HA ASP 16 lone 0 25 - 0 - Peak 4204 from cnoeabs.peaks (8.21, 1.80, 31.29 ppm; 4.80 A): 4 out of 5 assignments used, quality = 1.00: * H ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 3.9=100 H MET 11 + HB2 ARG 124 OK 65 98 - 67 - 11245/3.0=14...(15) H THR 74 + HB2 ARG 124 OK 49 89 - 55 - 9496/9482=9, 4213/1.8=7...(13) H ILE 136 + HB2 ARG 124 OK 46 99 - 47 - 4213/1.8=7, 4222/3.0=6...(12) H ARG 141 - HB2 ARG 124 OK 12 77 - 16 - 4222/3.0=3, 4249/3.8=2...(6) Peak 4205 from cnoeabs.peaks (4.62, 1.80, 31.29 ppm; 4.87 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 3.0=100 HA ASP 16 - HB2 ARG 124 OK 41 96 - 43 - 4214/1.8=8, 4241/3.8=6...(14) HA PRO 129 - HB2 ARG 124 OK 39 85 - 46 - 4214/1.8=8, 4241/3.8=5...(12) HA HIS 10 - HB2 ARG 124 OK 38 96 - 39 - 3.6/4204=7, 4214/1.8=7...(10) Peak 4206 from cnoeabs.peaks (1.80, 1.80, 31.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 124 + HB2 ARG 124 OK 100 100 - 100 Peak 4207 from cnoeabs.peaks (1.97, 1.80, 31.29 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 1.8=100 HB3 MET 11 + HB2 ARG 124 OK 48 77 - 63 - 29/1.8=7, ~23=7, 25=7...(29) HB2 LYS 34 - HB2 ARG 124 OK 32 81 - 39 - ~10799=5, 4225/3.0=3...(18) HB3 GLU 75 - HB2 ARG 124 OK 28 100 - 28 - ~2212=3, 4225/3.0=3...(13) HB2 GLU 142 - HB2 ARG 124 OK 17 85 - 20 - ~10379=3, 4198/3.0=2...(11) QE MET 59 - HB2 ARG 124 lone 2 62 - 4 - Peak 4208 from cnoeabs.peaks (1.66, 1.80, 31.29 ppm; 2.50 A): 5 out of 14 assignments used, quality = 0.90: * HG2 ARG 124 + HB2 ARG 124 OK 76 100 - 76 - 3.0=60, 1.8/4209=10...(19) HB2 ARG 145 + HB2 ARG 124 OK 31 96 - 33 - 4948=6, 4217/1.8=3...(12) HG2 ARG 140 + HB2 ARG 124 OK 20 92 - 21 - 4235/3.0=2, 4217/1.8=2...(8) HG13 ILE 136 + HB2 ARG 124 OK 14 89 - 16 - ~10341=2, 2.3/9485=2...(6) HB2 LEU 95 + HB2 ARG 124 OK 11 100 - 11 - 4217/1.8=1, 3.1/9481=1 HB VAL 71 - HB2 ARG 124 lone 10 100 - 10 - 2.1/9939=1 HB2 MET 68 - HB2 ARG 124 lone 9 100 - 9 - HB2 PRO 57 - HB2 ARG 124 poor 7 72 - 10 - HG2 ARG 89 - HB2 ARG 124 lone 7 100 - 7 - HB2 LYS 114 - HB2 ARG 124 lone 5 77 - 7 - HD2 LYS 48 - HB2 ARG 124 lone 3 100 - 3 - HD3 LYS 48 - HB2 ARG 124 lone 3 85 - 3 - HD3 LYS 93 - HB2 ARG 124 lone 2 77 - 3 - HD2 LYS 93 - HB2 ARG 124 lone 2 62 - 2 - Peak 4209 from cnoeabs.peaks (1.58, 1.80, 31.29 ppm; 2.77 A): 2 out of 9 assignments used, quality = 0.97: * HG3 ARG 124 + HB2 ARG 124 OK 91 100 - 91 - 3.0=81, 1.8/4208=16...(19) HB2 LEU 126 + HB2 ARG 124 OK 62 92 - 68 - 3.1/9482=8, 3.1/9481=6...(38) HG3 ARG 109 - HB2 ARG 124 OK 39 100 - 39 - 4227/3.0=4, 4218/1.8=3...(17) HG2 ARG 145 - HB2 ARG 124 OK 33 92 - 36 - 2.9/4208=4, 4227/3.0=3...(15) HG3 ARG 145 - HB2 ARG 124 OK 30 85 - 36 - 2.9/4208=4, 4964=2...(15) HG2 ARG 109 - HB2 ARG 124 OK 24 68 - 36 - 3.0/4210=3, ~4218=2...(20) HB2 LEU 66 - HB2 ARG 124 OK 13 96 - 14 - 7554/3.9=1, 4200/3.0=1...(4) HD3 LYS 85 - HB2 ARG 124 lone 4 100 - 4 - HD2 LYS 85 - HB2 ARG 124 lone 4 85 - 4 - Peak 4212 from cnoeabs.peaks (8.23, 1.80, 31.29 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLY 125 + HB2 ARG 124 OK 100 100 - 100 - 4.6=100 H THR 74 + HB2 ARG 124 OK 59 94 - 63 - 4221/1.8=13, 7557/3.9=12...(13) H ILE 136 - HB2 ARG 124 OK 36 77 - 46 - 7557/3.9=11, 4221/1.8=8...(12) H THR 102 - HB2 ARG 124 lone 3 62 - 4 - Peak 4213 from cnoeabs.peaks (8.21, 1.97, 31.29 ppm; 4.50 A): 4 out of 5 assignments used, quality = 1.00: * H ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.9=100 H MET 11 + HB3 ARG 124 OK 67 98 - 69 - 11245/3.0=13, 2.9/17=12...(16) H THR 74 + HB3 ARG 124 OK 47 89 - 53 - 3.2/6796=8, 4204/1.8=6...(14) H ILE 136 + HB3 ARG 124 OK 45 99 - 46 - 4204/1.8=6, 4222/3.0=6...(14) H ARG 141 - HB3 ARG 124 OK 12 77 - 15 - 4222/3.0=3, 4249/3.8=2...(7) Peak 4214 from cnoeabs.peaks (4.62, 1.97, 31.29 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.0=100 HA PRO 129 - HB3 ARG 124 OK 36 85 - 43 - 4214=8, 4205/1.8=6...(13) HA ASP 16 - HB3 ARG 124 OK 34 96 - 36 - 4205/1.8=6, 4241/3.8=4...(13) HA HIS 10 - HB3 ARG 124 OK 31 96 - 32 - 3.6/4213=6, 4205/1.8=5...(10) Peak 4215 from cnoeabs.peaks (1.80, 1.97, 31.29 ppm; 3.07 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 1.8=100 HB3 ARG 145 - HB3 ARG 124 OK 40 85 - 47 - 4955/3.0=5, 1.8/4217=4...(20) HB2 MET 11 - HB3 ARG 124 OK 36 68 - 53 - 1.8/29=10, 23=7...(22) HB3 LEU 72 - HB3 ARG 124 OK 34 94 - 36 - 3.2/11609=4, 4215=4...(21) HD2 LYS 34 - HB3 ARG 124 OK 33 89 - 37 - 1.8/4215=3, 4224/3.0=3...(17) HD3 LYS 34 - HB3 ARG 124 OK 31 89 - 35 - 4215=4, 4224/3.0=2...(15) HD3 LYS 86 - HB3 ARG 124 OK 13 100 - 12 - 4215=1, 2741/11081=1 HB3 LYS 24 - HB3 ARG 124 lone 9 99 - 9 - 1.8/4215=1 Peak 4216 from cnoeabs.peaks (1.97, 1.97, 31.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 124 + HB3 ARG 124 OK 100 100 - 100 Peak 4217 from cnoeabs.peaks (1.66, 1.97, 31.29 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * HG2 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 ARG 145 + HB3 ARG 124 OK 54 96 - 56 - 4948/1.8=7, 1.8/4215=5...(27) HG2 ARG 140 - HB3 ARG 124 OK 41 92 - 45 - 4217=5, 4208/1.8=5...(18) HG13 ILE 136 - HB3 ARG 124 OK 29 89 - 33 - 2.1/10341=7, 4208/1.8=3...(14) HB2 LEU 95 - HB3 ARG 124 OK 25 100 - 26 - 4208/1.8=3, 4217=2...(10) HB VAL 71 - HB3 ARG 124 OK 18 100 - 18 - 4208/1.8=2, 4217=2...(6) HB2 MET 68 - HB3 ARG 124 OK 18 100 - 18 - 4208/1.8=2, 1.8/4215=2 HB2 PRO 57 - HB3 ARG 124 OK 17 72 - 23 - 4217=2, 2.3/4215=2...(4) HG2 ARG 89 - HB3 ARG 124 OK 16 100 - 16 - 4208/1.8=2, 4217=2...(5) HB2 LYS 114 - HB3 ARG 124 OK 13 77 - 17 - 4217=2, 4208/1.8=2...(8) HD2 LYS 48 - HB3 ARG 124 lone 7 100 - 6 - HD3 LYS 48 - HB3 ARG 124 lone 6 85 - 7 - HD3 LYS 93 - HB3 ARG 124 lone 5 77 - 7 - HD2 LYS 93 - HB3 ARG 124 lone 4 62 - 6 - Peak 4218 from cnoeabs.peaks (1.58, 1.97, 31.29 ppm; 3.94 A): 6 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 LEU 126 + HB3 ARG 124 OK 86 92 - 93 - 3.0/11081=17...(44) HG3 ARG 109 + HB3 ARG 124 OK 72 100 - 72 - 4218=9, 4209/1.8=8...(38) HG2 ARG 145 + HB3 ARG 124 OK 59 92 - 64 - 4209/1.8=5, 2.9/4217=5...(40) HG3 ARG 145 + HB3 ARG 124 OK 54 85 - 64 - 2.9/4217=5, 2.9/4215=5...(39) HG2 ARG 109 + HB3 ARG 124 OK 45 68 - 67 - 1.8/4218=7, ~4209=6...(33) HB2 LEU 66 - HB3 ARG 124 OK 29 96 - 31 - 4218=4, 7554/3.9=3...(12) HD3 LYS 85 - HB3 ARG 124 OK 10 100 - 10 - 4218=1 HD2 LYS 85 - HB3 ARG 124 poor 10 85 - 11 - 1.8/4218=1 Peak 4221 from cnoeabs.peaks (8.23, 1.97, 31.29 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.99: * H GLY 125 + HB3 ARG 124 OK 97 100 - 97 - 4.6=92, 7559/3.9=20...(9) H THR 74 + HB3 ARG 124 OK 57 94 - 60 - 7557/3.9=11, 4212/1.8=11...(15) H ILE 136 - HB3 ARG 124 OK 35 77 - 45 - 7557/3.9=10, 4212/1.8=6...(14) H THR 102 - HB3 ARG 124 lone 2 62 - 4 - Peak 4222 from cnoeabs.peaks (8.21, 1.66, 26.40 ppm; 4.55 A): 3 out of 5 assignments used, quality = 1.00: * H ARG 124 + HG2 ARG 124 OK 98 100 - 98 - 4.9=79, 7552/3.0=19...(19) H MET 11 + HG2 ARG 124 OK 56 98 - 58 - 11245/3.8=11, 4231/1.8=8...(14) H ILE 136 + HG2 ARG 124 OK 48 99 - 48 - 4231/1.8=6, ~10748=6...(15) H THR 74 - HG2 ARG 124 OK 44 89 - 49 - 9496/11071=9, 4231/1.8=6...(14) H ARG 141 - HG2 ARG 124 OK 21 77 - 27 - 3.6/4707=4, 4.7/4727=3...(11) Peak 4223 from cnoeabs.peaks (4.62, 1.66, 26.40 ppm; 5.43 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.8=100 HA HIS 10 - HG2 ARG 124 OK 39 96 - 41 - 3.6/4222=8, 4205/3.0=7...(9) HA ASP 16 - HG2 ARG 124 OK 38 96 - 39 - 4214/3.0=8, 4205/3.0=7...(9) HA PRO 129 - HG2 ARG 124 OK 33 85 - 39 - 4214/3.0=8, 4205/3.0=8...(8) Peak 4224 from cnoeabs.peaks (1.80, 1.66, 26.40 ppm; 2.92 A): 2 out of 8 assignments used, quality = 0.99: * HB2 ARG 124 + HG2 ARG 124 OK 98 100 - 98 - 3.0=95, 4209/1.8=13...(20) HB3 ARG 145 + HG2 ARG 124 OK 46 85 - 54 - 4955=7, 4233/1.8=5...(28) HD2 LYS 34 - HG2 ARG 124 OK 28 89 - 32 - 4233/1.8=3, 4215/3.0=2...(12) HB2 MET 11 - HG2 ARG 124 OK 27 68 - 41 - 4233/1.8=5, 1.8/4225=5...(19) HD3 LYS 34 - HG2 ARG 124 OK 25 89 - 29 - 4233/1.8=3, 3.4/4225=2...(12) HB3 LEU 72 - HG2 ARG 124 OK 25 94 - 27 - 4233/1.8=3, 3.2/10675=3...(10) HD3 LYS 86 - HG2 ARG 124 lone 9 100 - 9 - 4233/1.8=1 HB3 LYS 24 - HG2 ARG 124 lone 8 99 - 7 - Peak 4225 from cnoeabs.peaks (1.97, 1.66, 26.40 ppm; 3.73 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HG2 ARG 124 OK 50 77 - 65 - 4234/1.8=7, 4207/3.0=7...(31) HB2 LYS 34 - HG2 ARG 124 OK 38 81 - 47 - 4234/1.8=6, 4207/3.0=5...(23) HB3 GLU 75 - HG2 ARG 124 OK 29 100 - 29 - 4234/1.8=4, 4207/3.0=4...(13) HB2 GLU 142 - HG2 ARG 124 OK 16 85 - 19 - 4234/1.8=3, 4207/3.0=2...(8) QE MET 59 - HG2 ARG 124 lone 3 62 - 5 - Peak 4226 from cnoeabs.peaks (1.66, 1.66, 26.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 124 + HG2 ARG 124 OK 100 100 - 100 Peak 4227 from cnoeabs.peaks (1.58, 1.66, 26.40 ppm; 2.50 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 1.8=100 HB2 LEU 126 + HG2 ARG 124 OK 55 92 - 60 - 3.1/11071=8, 3.1/11070=5...(43) HG3 ARG 109 - HG2 ARG 124 OK 37 100 - 37 - 3.0/4228=3, 4209/3.0=3...(12) HG2 ARG 145 - HG2 ARG 124 OK 34 92 - 37 - 2.9/4955=4, 4963=4...(12) HG3 ARG 145 - HG2 ARG 124 OK 31 85 - 37 - 2.9/4955=4, 4963=4...(12) HG2 ARG 109 - HG2 ARG 124 OK 25 68 - 37 - 3.0/4228=3, 4963=3...(18) HB2 LEU 66 - HG2 ARG 124 OK 11 96 - 12 - 4209/3.0=1 HD3 LYS 85 - HG2 ARG 124 lone 4 100 - 3 - HD2 LYS 85 - HG2 ARG 124 lone 3 85 - 4 - Peak 4228 from cnoeabs.peaks (3.30, 1.66, 26.40 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 + HG2 ARG 124 OK 72 100 - 72 - 4237/1.8=13, 4255/3.0=10...(33) HB2 TRP 88 - HG2 ARG 124 OK 34 100 - 34 - 4237/1.8=7, 4255/3.0=5...(11) HB3 TRP 17 - HG2 ARG 124 lone 2 89 - 2 - Peak 4229 from cnoeabs.peaks (3.22, 1.66, 26.40 ppm; 3.24 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 140 + HG2 ARG 124 OK 59 100 - 59 - 4238/1.8=9, 4247/3.0=7...(23) HD2 ARG 140 + HG2 ARG 124 OK 56 96 - 58 - 4238/1.8=8, 4247/3.0=6...(23) HB3 TYR 117 - HG2 ARG 124 lone 7 100 - 6 - 4202/3.8=1, 4238/1.8=1 HG3 MET 46 - HG2 ARG 124 lone 6 100 - 6 - HD3 ARG 141 - HG2 ARG 124 lone 4 81 - 5 - HD2 ARG 141 - HG2 ARG 124 lone 3 62 - 4 - Peak 4230 from cnoeabs.peaks (8.23, 1.66, 26.40 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.97: * H GLY 125 + HG2 ARG 124 OK 93 100 - 93 - 4.9=80, 4239/1.8=19...(9) H THR 74 + HG2 ARG 124 OK 52 94 - 56 - 4239/1.8=11, 4221/3.0=10...(14) H ILE 136 - HG2 ARG 124 OK 36 77 - 46 - 7557/4.9=8, 4239/1.8=7...(15) H THR 102 - HG2 ARG 124 lone 2 62 - 3 - Peak 4231 from cnoeabs.peaks (8.21, 1.58, 26.40 ppm; 4.76 A): 3 out of 5 assignments used, quality = 1.00: * H ARG 124 + HG3 ARG 124 OK 99 100 - 99 - 4.9=91, 7552/3.0=20...(20) H MET 11 + HG3 ARG 124 OK 59 98 - 60 - 11245/3.8=12, 4222/1.8=9...(14) H ILE 136 + HG3 ARG 124 OK 46 99 - 46 - 4222/1.8=8, ~10748=7...(13) H THR 74 - HG3 ARG 124 OK 44 89 - 50 - 9496/11072=10...(13) H ARG 141 - HG3 ARG 124 OK 15 77 - 20 - 4222/1.8=3, 4249/3.0=3...(8) Peak 4232 from cnoeabs.peaks (4.62, 1.58, 26.40 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.8=100 HA HIS 10 + HG3 ARG 124 OK 47 96 - 49 - 3.6/4231=10, 4223/1.8=9...(9) HA ASP 16 - HG3 ARG 124 OK 45 96 - 46 - 4205/3.0=9, 4223/1.8=9...(9) HA PRO 129 - HG3 ARG 124 OK 38 85 - 44 - 4214/3.0=9, 4205/3.0=9...(8) Peak 4233 from cnoeabs.peaks (1.80, 1.58, 26.40 ppm; 3.13 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HB3 ARG 145 + HG3 ARG 124 OK 46 85 - 55 - 4955/1.8=7, 1.8/4235=6...(27) HD2 LYS 34 - HG3 ARG 124 OK 32 89 - 36 - 4224/1.8=4, 4215/3.0=3...(16) HB2 MET 11 - HG3 ARG 124 OK 31 68 - 46 - 1.8/4234=5, 4215/3.0=4...(25) HD3 LYS 34 - HG3 ARG 124 OK 29 89 - 33 - 4224/1.8=4, 3.4/4234=3...(13) HB3 LEU 72 - HG3 ARG 124 OK 27 94 - 29 - 4224/1.8=4, 4215/3.0=3...(15) HD3 LYS 86 - HG3 ARG 124 OK 11 100 - 11 - 4224/1.8=1, 4215/3.0=1 HB3 LYS 24 - HG3 ARG 124 lone 8 99 - 8 - 4224/1.8=1 Peak 4234 from cnoeabs.peaks (1.97, 1.58, 26.40 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HG3 ARG 124 OK 53 77 - 69 - 4225/1.8=8, 1.8/4233=8...(32) HB2 LYS 34 - HG3 ARG 124 OK 41 81 - 50 - 4225/1.8=6, 4207/3.0=5...(24) HB3 GLU 75 - HG3 ARG 124 OK 31 100 - 31 - 4225/1.8=5, 4207/3.0=4...(13) HB2 GLU 142 - HG3 ARG 124 OK 18 85 - 21 - 4225/1.8=3, 4207/3.0=3...(10) QE MET 59 - HG3 ARG 124 lone 3 62 - 5 - Peak 4235 from cnoeabs.peaks (1.66, 1.58, 26.40 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HG2 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 1.8=100 HB2 ARG 145 - HG3 ARG 124 OK 36 96 - 37 - 4949=4, 1.8/4233=4...(13) HG2 ARG 140 - HG3 ARG 124 OK 28 92 - 31 - 2.9/4238=4, 2.9/4238=4...(11) HG13 ILE 136 - HG3 ARG 124 OK 18 89 - 21 - ~9668=2, ~9668=2...(8) HB2 LEU 95 - HG3 ARG 124 OK 14 100 - 14 - 3.1/10677=1, 4208/3.0=1 HG2 ARG 89 - HG3 ARG 124 OK 10 100 - 10 - 2881/3.0=1 HB2 MET 68 - HG3 ARG 124 lone 9 100 - 9 - HB2 PRO 57 - HG3 ARG 124 poor 9 72 - 12 - 2.3/4233=1 HB VAL 71 - HG3 ARG 124 lone 8 100 - 8 - HB2 LYS 114 - HG3 ARG 124 lone 7 77 - 9 - ~3756=1 HD2 LYS 48 - HG3 ARG 124 lone 3 100 - 3 - HD3 LYS 48 - HG3 ARG 124 lone 3 85 - 4 - HD3 LYS 93 - HG3 ARG 124 lone 3 77 - 4 - HD2 LYS 93 - HG3 ARG 124 lone 2 62 - 3 - Peak 4236 from cnoeabs.peaks (1.58, 1.58, 26.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 124 + HG3 ARG 124 OK 100 100 - 100 Peak 4237 from cnoeabs.peaks (3.30, 1.58, 26.40 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 + HG3 ARG 124 OK 73 100 - 73 - 4228/1.8=13, 4255/3.0=10...(37) HB2 TRP 88 - HG3 ARG 124 OK 34 100 - 34 - 4228/1.8=6, 4255/3.0=5...(11) HB3 TRP 17 - HG3 ARG 124 lone 2 89 - 2 - Peak 4238 from cnoeabs.peaks (3.22, 1.58, 26.40 ppm; 3.16 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 140 + HG3 ARG 124 OK 55 100 - 56 - 4229/1.8=8, 4247/3.0=7...(24) HD2 ARG 140 + HG3 ARG 124 OK 53 96 - 55 - 4229/1.8=8, 4247/3.0=6...(24) HB3 TYR 117 - HG3 ARG 124 lone 6 100 - 6 - HG3 MET 46 - HG3 ARG 124 lone 6 100 - 6 - HD3 ARG 141 - HG3 ARG 124 lone 3 81 - 4 - HD2 ARG 141 - HG3 ARG 124 lone 2 62 - 4 - Peak 4239 from cnoeabs.peaks (8.23, 1.58, 26.40 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.99: * H GLY 125 + HG3 ARG 124 OK 98 100 - 98 - 4.9=92, 4230/1.8=21...(13) H THR 74 + HG3 ARG 124 OK 54 94 - 57 - 4230/1.8=12, 4221/3.0=10...(13) H ILE 136 - HG3 ARG 124 OK 35 77 - 45 - 7557/4.9=8, 4230/1.8=8...(12) H THR 102 - HG3 ARG 124 lone 2 62 - 3 - Peak 4241 from cnoeabs.peaks (4.62, 3.30, 41.21 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.88: * HA ARG 124 + HD2 ARG 124 OK 79 100 - 79 - 5.2=34, 4250/1.8=26...(19) HA PRO 129 + HD2 ARG 124 OK 20 85 - 24 - 4241=7, 4250/1.8=5...(7) HA ASP 16 + HD2 ARG 124 OK 20 96 - 21 - 4250/1.8=6, 4214/3.8=3...(8) HA HIS 10 + HD2 ARG 124 OK 16 96 - 16 - 4250/1.8=5, 4214/3.8=3...(6) Peak 4242 from cnoeabs.peaks (1.80, 3.30, 41.21 ppm; 4.76 A): 3 out of 8 assignments used, quality = 1.00: * HB2 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.8=100 HB3 ARG 145 + HD2 ARG 124 OK 64 85 - 76 - ~10523=9, ~10847=8...(33) HD2 LYS 34 + HD2 ARG 124 OK 49 89 - 55 - 2.9/10678=10, 1.8/4242=5...(18) HD3 LYS 34 - HD2 ARG 124 OK 45 89 - 50 - 2.9/10678=10, 4242=6...(15) HB2 MET 11 - HD2 ARG 124 OK 35 68 - 52 - 1.8/4243=7, 4233/3.0=7...(12) HB3 LEU 72 - HD2 ARG 124 OK 33 94 - 36 - 3.2/9477=5, 4224/3.0=5...(11) HD3 LYS 86 - HD2 ARG 124 OK 20 100 - 20 - ~11075=3, 3.0/11074=3...(9) HB3 LYS 24 - HD2 ARG 124 OK 16 99 - 16 - 1.8/4242=2, 4251/1.8=2...(8) Peak 4243 from cnoeabs.peaks (1.97, 3.30, 41.21 ppm; 4.87 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.8=100 HB3 MET 11 + HD2 ARG 124 OK 47 77 - 61 - 4225/3.0=9, 4234/3.0=9...(15) HB2 LYS 34 - HD2 ARG 124 OK 42 81 - 52 - 2.9/10678=11, 4225/3.0=7...(15) HB3 GLU 75 - HD2 ARG 124 OK 30 100 - 30 - 4225/3.0=5, 4234/3.0=5...(10) HB2 GLU 142 - HD2 ARG 124 OK 17 85 - 19 - 4207/3.8=3, 4234/3.0=3...(6) QE MET 59 - HD2 ARG 124 lone 5 62 - 7 - Peak 4244 from cnoeabs.peaks (1.66, 3.30, 41.21 ppm; 3.79 A): 3 out of 14 assignments used, quality = 1.00: * HG2 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 ARG 145 + HD2 ARG 124 OK 60 96 - 63 - ~10523=6, 4235/3.0=6...(28) HG2 ARG 140 + HD2 ARG 124 OK 59 92 - 64 - 2.9/4247=9, 2.9/4247=8...(35) HG13 ILE 136 - HD2 ARG 124 OK 38 89 - 43 - 2.1/9668=9, 3.7/10748=5...(18) HB2 LEU 95 - HD2 ARG 124 OK 32 100 - 32 - 3.1/9477=4, 4244=3...(15) HG2 ARG 89 - HD2 ARG 124 OK 24 100 - 23 - 2881/1.8=3, 4244=2...(11) HB2 LYS 114 - HD2 ARG 124 OK 21 77 - 28 - 3.6/10678=10, 4244=3...(11) HB2 MET 68 - HD2 ARG 124 OK 18 100 - 18 - 4235/3.0=1, 4208/3.8=1...(6) HB2 PRO 57 - HD2 ARG 124 OK 17 72 - 23 - 4244=2, 2.3/4242=2...(12) HB VAL 71 - HD2 ARG 124 OK 16 100 - 16 - 4208/3.8=2, 4244=1...(6) HD2 LYS 48 - HD2 ARG 124 lone 9 100 - 8 - HD3 LYS 48 - HD2 ARG 124 lone 8 85 - 8 - HD3 LYS 93 - HD2 ARG 124 lone 6 77 - 8 - HD2 LYS 93 - HD2 ARG 124 lone 4 62 - 7 - Peak 4245 from cnoeabs.peaks (1.58, 3.30, 41.21 ppm; 3.65 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 LEU 126 + HD2 ARG 124 OK 78 92 - 85 - 3.1/10254=12...(37) HG3 ARG 109 + HD2 ARG 124 OK 67 100 - 67 - 4245=10, 4254/1.8=7...(32) HG2 ARG 145 + HD2 ARG 124 OK 49 92 - 54 - 4254/1.8=4, 4227/3.0=4...(31) HG3 ARG 145 - HD2 ARG 124 OK 45 85 - 53 - 4254/1.8=4, 2.9/4244=4...(30) HG2 ARG 109 - HD2 ARG 124 OK 42 68 - 62 - 1.8/4245=8, ~4254=5...(30) HB2 LEU 66 - HD2 ARG 124 OK 25 96 - 26 - 4245=4, 1.8/11074=3...(9) HD3 LYS 85 - HD2 ARG 124 lone 8 100 - 8 - 4245=1 HD2 LYS 85 - HD2 ARG 124 lone 7 85 - 8 - Peak 4246 from cnoeabs.peaks (3.30, 3.30, 41.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 124 + HD2 ARG 124 OK 100 100 - 100 Peak 4247 from cnoeabs.peaks (3.22, 3.30, 41.21 ppm; 2.71 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 1.8=100 HD3 ARG 140 + HD2 ARG 124 OK 47 100 - 47 - 4247=10, 1.8/4247=7...(13) HD2 ARG 140 - HD2 ARG 124 OK 44 96 - 46 - 4247=8, 1.8/4247=7...(13) HB3 TYR 117 - HD2 ARG 124 lone 5 100 - 5 - 4247=1 HG3 MET 46 - HD2 ARG 124 lone 5 100 - 4 - HD3 ARG 141 - HD2 ARG 124 lone 2 81 - 2 - HD2 ARG 141 - HD2 ARG 124 lone 1 62 - 2 - Peak 4249 from cnoeabs.peaks (8.21, 3.22, 41.21 ppm; 4.65 A): 2 out of 5 assignments used, quality = 0.96: * H ARG 124 + HD3 ARG 124 OK 93 100 - 93 - 6.2=42, 3.0/4250=28...(17) H ILE 136 + HD3 ARG 124 OK 43 99 - 43 - ~10748=8, 4.0/10334=7...(13) H MET 11 - HD3 ARG 124 OK 42 98 - 43 - 11245/5.2=8, 4213/3.8=7...(9) H THR 74 - HD3 ARG 124 OK 32 89 - 36 - 9496/10255=7, 4222/3.0=5...(10) H ARG 141 - HD3 ARG 124 OK 18 77 - 24 - 3.6/4710=3, 3.2/7828=3...(10) Peak 4250 from cnoeabs.peaks (4.62, 3.22, 41.21 ppm; 3.52 A): 4 out of 4 assignments used, quality = 0.85: * HA ARG 124 + HD3 ARG 124 OK 75 100 - 75 - 5.2=30, 4241/1.8=22...(17) HA ASP 16 + HD3 ARG 124 OK 18 96 - 18 - 4241/1.8=5, 4214/3.8=3...(7) HA HIS 10 + HD3 ARG 124 OK 16 96 - 17 - 4241/1.8=4, 3.6/4249=3...(7) HA PRO 129 + HD3 ARG 124 OK 14 85 - 17 - 4241/1.8=5, 4214/3.8=3...(6) Peak 4251 from cnoeabs.peaks (1.80, 3.22, 41.21 ppm; 4.53 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.8=100 HB3 ARG 145 + HD3 ARG 124 OK 62 85 - 73 - 3.0/10523=10, 4224/3.0=8...(33) HD2 LYS 34 - HD3 ARG 124 OK 43 89 - 48 - ~10678=7, 4233/3.0=5...(17) HD3 LYS 34 - HD3 ARG 124 OK 38 89 - 43 - ~10678=7, 4242/1.8=5...(14) HB2 MET 11 - HD3 ARG 124 OK 32 68 - 47 - 4233/3.0=7, 1.8/4252=6...(12) HB3 LEU 72 - HD3 ARG 124 OK 28 94 - 29 - 4224/3.0=4, 4215/3.8=4...(10) HD3 LYS 86 - HD3 ARG 124 OK 17 100 - 17 - 3.0/11075=4, 4242/1.8=2...(7) HB3 LYS 24 - HD3 ARG 124 OK 13 99 - 12 - 4242/1.8=2, ~4242=2...(6) Peak 4252 from cnoeabs.peaks (1.97, 3.22, 41.21 ppm; 5.13 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.8=100 HB3 MET 11 + HD3 ARG 124 OK 49 77 - 64 - 4225/3.0=9, 4234/3.0=9...(15) HB2 LYS 34 - HD3 ARG 124 OK 44 81 - 54 - ~10678=8, 4243/1.8=8...(15) HB3 GLU 75 - HD3 ARG 124 OK 31 100 - 31 - 4225/3.0=6, 4234/3.0=6...(9) HB2 GLU 142 - HD3 ARG 124 OK 17 85 - 20 - 4207/3.8=3, 4234/3.0=3...(8) QE MET 59 - HD3 ARG 124 lone 5 62 - 8 - Peak 4253 from cnoeabs.peaks (1.66, 3.22, 41.21 ppm; 4.51 A): 4 out of 14 assignments used, quality = 1.00: * HG2 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 ARG 145 + HD3 ARG 124 OK 72 96 - 76 - 3.0/10523=10, ~10847=7...(34) HG2 ARG 140 + HD3 ARG 124 OK 61 92 - 67 - 4244/1.8=8, ~4247=7...(28) HG13 ILE 136 + HD3 ARG 124 OK 50 89 - 56 - ~9668=11, ~9668=9...(19) HB2 LEU 95 - HD3 ARG 124 OK 41 100 - 42 - 3.1/9479=5, 3.1/9479=4...(19) HG2 ARG 89 - HD3 ARG 124 OK 30 100 - 30 - 4244/1.8=3, 4235/3.0=2...(14) HB2 LYS 114 - HD3 ARG 124 OK 27 77 - 35 - 3.6/10679=14, 4244/1.8=3...(13) HB2 MET 68 - HD3 ARG 124 OK 23 100 - 23 - 1.8/4251=2, 4244/1.8=2...(9) HB2 PRO 57 - HD3 ARG 124 OK 22 72 - 30 - 2.3/4251=3, 4244/1.8=2...(16) HB VAL 71 - HD3 ARG 124 OK 20 100 - 20 - 4208/3.8=2, 4244/1.8=2...(9) HD2 LYS 48 - HD3 ARG 124 OK 11 100 - 11 - 4244/1.8=1 HD3 LYS 48 - HD3 ARG 124 OK 10 85 - 11 - HD3 LYS 93 - HD3 ARG 124 poor 9 77 - 11 - 10257/10255=1 HD2 LYS 93 - HD3 ARG 124 lone 6 62 - 10 - Peak 4254 from cnoeabs.peaks (1.58, 3.22, 41.21 ppm; 3.65 A): 5 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 LEU 126 + HD3 ARG 124 OK 77 92 - 84 - 3.1/10255=13...(37) HG3 ARG 109 + HD3 ARG 124 OK 63 100 - 63 - 3.0/4255=8, 3565/1.8=8...(32) HG2 ARG 145 + HD3 ARG 124 OK 50 92 - 55 - 4.0/10523=5, 4227/3.0=4...(31) HG3 ARG 145 + HD3 ARG 124 OK 46 85 - 54 - 4.0/10523=5, 4227/3.0=4...(30) HG2 ARG 109 - HD3 ARG 124 OK 42 68 - 62 - 3.0/4255=8, ~3565=6...(30) HB2 LEU 66 - HD3 ARG 124 OK 21 96 - 22 - 4245/1.8=3, ~11074=3...(8) HD3 LYS 85 - HD3 ARG 124 lone 7 100 - 6 - HD2 LYS 85 - HD3 ARG 124 lone 6 85 - 7 - Peak 4255 from cnoeabs.peaks (3.30, 3.22, 41.21 ppm; 2.74 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 1.8=100 HD3 ARG 109 - HD3 ARG 124 OK 34 100 - 35 - 4237/3.0=4, 4228/3.0=4...(14) HB2 TRP 88 - HD3 ARG 124 OK 16 100 - 15 - 4237/3.0=2, ~2841=2...(7) HB3 TRP 17 - HD3 ARG 124 lone 1 89 - 1 - Peak 4256 from cnoeabs.peaks (3.22, 3.22, 41.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 124 + HD3 ARG 124 OK 100 100 - 100 Peak 4258 from cnoeabs.peaks (8.23, 3.77, 47.69 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 125 + HA2 GLY 125 OK 100 100 - 100 - 3.0=100 H THR 74 - HA2 GLY 125 OK 17 94 - 18 - 7571/3.6=5, 4262/1.8=5...(6) H ILE 136 - HA2 GLY 125 poor 8 77 - 10 - 7559/3.0=3, 4262/1.8=2...(5) H THR 102 - HA2 GLY 125 lone 0 62 - 1 - Peak 4259 from cnoeabs.peaks (3.77, 3.77, 47.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 Peak 4260 from cnoeabs.peaks (4.15, 3.77, 47.69 ppm; 3.01 A): 1 out of 8 assignments used, quality = 1.00: * HA3 GLY 125 + HA2 GLY 125 OK 100 100 - 100 - 1.8=100 HA LEU 126 - HA2 GLY 125 OK 28 98 - 29 - 7568/3.0=6, ~7569=6...(10) HA GLU 120 - HA2 GLY 125 OK 11 89 - 12 - 4.9/10317=8, 7573/3.6=1 HA LYS 76 - HA2 GLY 125 lone 10 100 - 10 - 7573/3.6=2, 7568/3.0=2, ~9489=1 HA GLU 131 - HA2 GLY 125 lone 3 81 - 4 - 7574/3.6=1 HB3 SER 44 - HA2 GLY 125 lone 1 96 - 1 - HB2 SER 44 - HA2 GLY 125 lone 1 96 - 1 - HA PHE 38 - HA2 GLY 125 lone 0 62 - 1 - Peak 4261 from cnoeabs.peaks (7.46, 3.77, 47.69 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 126 + HA2 GLY 125 OK 100 100 - 100 - 3.6=100 HE22 GLN 62 - HA2 GLY 125 lone 3 72 - 4 - 7569/3.0=2, 4265/1.8=2 Peak 4262 from cnoeabs.peaks (8.23, 4.15, 47.69 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 125 + HA3 GLY 125 OK 100 100 - 100 - 3.0=100 H THR 74 - HA3 GLY 125 OK 19 94 - 20 - 7571/3.6=6, 4258/1.8=5...(5) H ILE 136 - HA3 GLY 125 poor 8 77 - 10 - 7559/3.0=3, 4258/1.8=2...(4) H THR 102 - HA3 GLY 125 lone 0 62 - 1 - Peak 4263 from cnoeabs.peaks (3.77, 4.15, 47.69 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 125 + HA3 GLY 125 OK 100 100 - 100 - 1.8=100 Peak 4264 from cnoeabs.peaks (4.15, 4.15, 47.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 Peak 4265 from cnoeabs.peaks (7.46, 4.15, 47.69 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 126 + HA3 GLY 125 OK 100 100 - 100 - 3.6=100 HE22 GLN 62 - HA3 GLY 125 lone 5 72 - 7 - 7569/3.0=2, 4261/1.8=1 Peak 4266 from cnoeabs.peaks (7.46, 4.15, 56.34 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 126 + HA LEU 126 OK 100 100 - 100 - 3.0=100 HE22 GLN 62 - HA LEU 126 OK 20 72 - 27 - 4274/3.0=5, 4282/3.0=5...(8) Peak 4267 from cnoeabs.peaks (4.15, 4.15, 56.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 126 + HA LEU 126 OK 100 100 - 100 Peak 4268 from cnoeabs.peaks (1.57, 4.15, 56.34 ppm; 3.87 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 126 + HA LEU 126 OK 100 100 - 100 - 3.0=100 HG3 ARG 124 + HA LEU 126 OK 65 92 - 70 - 11072/4.0=15...(23) HB2 LEU 66 - HA LEU 126 OK 44 100 - 44 - 1.8/4270=6, ~4278=4...(21) HD2 LYS 85 - HA LEU 126 OK 34 100 - 34 - 3.6/4269=3, 4284/3.0=3...(15) HD3 LYS 85 - HA LEU 126 OK 32 96 - 33 - 3.6/4269=3, 4284/3.0=3...(15) HG2 ARG 109 - HA LEU 126 OK 25 96 - 26 - 4284/3.0=3, 4300/4.0=2...(9) HG3 ARG 109 - HA LEU 126 OK 22 85 - 26 - 4284/3.0=2, 4300/4.0=2...(8) HG2 ARG 145 - HA LEU 126 OK 14 100 - 14 - 4284/3.0=2, 4300/4.0=1...(5) HG3 ARG 145 - HA LEU 126 OK 14 100 - 14 - 4284/3.0=2, 4300/4.0=1...(4) Peak 4269 from cnoeabs.peaks (1.84, 4.15, 56.34 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 126 + HA LEU 126 OK 100 100 - 100 - 3.0=100 HB2 LYS 93 + HA LEU 126 OK 51 100 - 51 - 4277/3.0=11, 7576/3.0=9...(14) Peak 4270 from cnoeabs.peaks (1.46, 4.15, 56.34 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 126 + HA LEU 126 OK 99 100 - 99 - 4.3=94, 4290/3.0=29...(21) HB2 LYS 76 + HA LEU 126 OK 76 98 - 78 - 1.8/4269=11, 2251=9...(31) HB3 LEU 66 - HA LEU 126 OK 32 77 - 42 - 4278/3.0=5, 1.8/4268=5...(18) HG3 LYS 86 - HA LEU 126 OK 28 98 - 29 - 4286/3.0=5, 4278/3.0=5...(8) HB3 LYS 123 - HA LEU 126 OK 13 77 - 17 - 4278/3.0=2, 4286/3.0=2...(7) HG2 LYS 48 - HA LEU 126 poor 7 62 - 12 - 2.9/4269=1, 4286/3.0=1 Peak 4271 from cnoeabs.peaks (0.64, 4.15, 56.34 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 126 + HA LEU 126 OK 100 100 - 100 - 4.0=100 QD2 LEU 64 - HA LEU 126 OK 45 96 - 47 - 4287/3.0=12, 4279/3.0=11...(8) Peak 4272 from cnoeabs.peaks (0.79, 4.15, 56.34 ppm; 3.21 A): 4 out of 5 assignments used, quality = 0.94: * QD2 LEU 126 + HA LEU 126 OK 87 100 - 87 - 3.9=57, 4306/3.0=13...(14) QG2 THR 74 + HA LEU 126 OK 26 94 - 27 - 4280/3.0=5, 4309/3.0=5...(7) QG1 VAL 80 + HA LEU 126 OK 24 96 - 25 - 4280/3.0=4, 7579/3.0=4...(7) QD1 LEU 79 + HA LEU 126 OK 23 89 - 26 - 2.1/4271=4, 4288/3.0=4...(9) QD2 LEU 95 - HA LEU 126 lone 7 72 - 9 - 4280/3.0=1, 4288/3.0=1...(4) Peak 4273 from cnoeabs.peaks (8.97, 4.15, 56.34 ppm; 5.86 A): 2 out of 2 assignments used, quality = 1.00: * H SER 127 + HA LEU 126 OK 100 100 - 100 - 3.6=100 H MET 59 + HA LEU 126 OK 61 100 - 61 - 11022/4.0=33...(6) Peak 4274 from cnoeabs.peaks (7.46, 1.57, 41.41 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 4.0=100 HE22 GLN 62 - HB2 LEU 126 OK 21 72 - 29 - 4282/1.8=7, 4298/3.1=6...(6) Peak 4275 from cnoeabs.peaks (4.15, 1.57, 41.41 ppm; 4.12 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.0=100 HA LYS 76 + HB2 LEU 126 OK 73 100 - 73 - 2241/1.8=9, 2240/3.0=8...(30) HA3 GLY 125 + HB2 LEU 126 OK 62 98 - 64 - 10337/4.2=15, ~9496=13...(13) HA GLU 131 - HB2 LEU 126 OK 37 96 - 38 - 9554/3.1=5, 4283/1.8=4...(16) HA GLU 120 - HB2 LEU 126 OK 15 68 - 22 - 3.8/11582=5, ~9438=4...(7) HB2 SER 44 - HB2 LEU 126 OK 12 81 - 15 - 4283/1.8=2, 4299/3.1=1...(6) HB3 SER 44 - HB2 LEU 126 OK 12 81 - 15 - 4283/1.8=2, 4299/3.1=1...(6) Peak 4276 from cnoeabs.peaks (1.57, 1.57, 41.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 Peak 4277 from cnoeabs.peaks (1.84, 1.57, 41.41 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 1.8=100 HB2 LYS 93 + HB2 LEU 126 OK 51 100 - 51 - 4293/3.0=9, 4269/3.0=9...(14) Peak 4278 from cnoeabs.peaks (1.46, 1.57, 41.41 ppm; 4.09 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.0=100 HB2 LYS 76 + HB2 LEU 126 OK 80 98 - 82 - 4286/1.8=10, 4302/3.1=9...(38) HB3 LEU 66 + HB2 LEU 126 OK 54 77 - 70 - 4286/1.8=6, ~10786=6...(36) HG3 LYS 86 + HB2 LEU 126 OK 46 98 - 47 - 4286/1.8=6, 4302/3.1=5...(16) HB3 LYS 123 - HB2 LEU 126 OK 21 77 - 27 - 4.2/7554=4, 4286/1.8=2...(14) HG2 LYS 48 - HB2 LEU 126 poor 9 62 - 15 - ~10257=1, 2.9/4277=1...(4) Peak 4279 from cnoeabs.peaks (0.64, 1.57, 41.41 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB2 LEU 126 OK 53 96 - 55 - 4287/1.8=13, 4295/3.0=10...(15) Peak 4280 from cnoeabs.peaks (0.79, 1.57, 41.41 ppm; 3.64 A): 4 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.1=100 QG2 THR 74 + HB2 LEU 126 OK 68 94 - 72 - ~9492=10, ~8605=10...(23) QD1 LEU 79 + HB2 LEU 126 OK 47 89 - 52 - 2.1/4279=6, 4288/1.8=6...(22) QG1 VAL 80 + HB2 LEU 126 OK 47 96 - 48 - 4288/1.8=6, 4296/3.0=5...(21) QD2 LEU 95 - HB2 LEU 126 OK 17 72 - 23 - 3.9/11077=3, 4288/1.8=2...(10) Peak 4282 from cnoeabs.peaks (7.46, 1.84, 41.41 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 4.0=100 HE22 GLN 62 - HB3 LEU 126 OK 22 72 - 31 - 4274/1.8=8, 4298/3.1=7...(6) Peak 4283 from cnoeabs.peaks (4.15, 1.84, 41.41 ppm; 4.25 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.0=100 HA LYS 76 + HB3 LEU 126 OK 81 100 - 82 - 2241=11, 4275/1.8=9...(38) HA3 GLY 125 + HB3 LEU 126 OK 71 98 - 72 - 3.6/7576=23...(14) HA GLU 131 - HB3 LEU 126 OK 42 96 - 43 - 9554/3.1=5, 4275/1.8=5...(17) HA GLU 120 - HB3 LEU 126 OK 16 68 - 24 - ~9438=5, 3.8/11604=4...(9) HB3 SER 44 - HB3 LEU 126 OK 16 81 - 19 - 4283=2, 4275/1.8=2...(8) HB2 SER 44 - HB3 LEU 126 OK 16 81 - 19 - 4283=2, 1.8/4283=2...(8) Peak 4284 from cnoeabs.peaks (1.57, 1.84, 41.41 ppm; 3.89 A): 5 out of 9 assignments used, quality = 1.00: * HB2 LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 1.8=100 HG3 ARG 124 + HB3 LEU 126 OK 87 92 - 94 - 11072/3.1=18, ~11071=13...(50) HB2 LEU 66 + HB3 LEU 126 OK 66 100 - 66 - ~4278=6, 1.8/4286=6...(37) HD2 LYS 85 + HB3 LEU 126 OK 48 100 - 48 - 4284=4, 1.8/4284=4...(29) HD3 LYS 85 + HB3 LEU 126 OK 46 96 - 48 - 4284=4, 1.8/4284=4...(29) HG2 ARG 109 - HB3 LEU 126 OK 44 96 - 46 - 4284=4, ~10254=3...(24) HG3 ARG 109 - HB3 LEU 126 OK 39 85 - 45 - 4284=4, 1.8/4284=3...(23) HG2 ARG 145 - HB3 LEU 126 OK 24 100 - 24 - 4284=2, 1.8/4284=2...(7) HG3 ARG 145 - HB3 LEU 126 OK 24 100 - 24 - 4284=2, 1.8/4284=2...(8) Peak 4285 from cnoeabs.peaks (1.84, 1.84, 41.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 126 + HB3 LEU 126 OK 100 100 - 100 Peak 4286 from cnoeabs.peaks (1.46, 1.84, 41.41 ppm; 4.18 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.0=100 HB2 LYS 76 + HB3 LEU 126 OK 85 98 - 87 - 4278/1.8=10, 4302/3.1=9...(44) HB3 LEU 66 + HB3 LEU 126 OK 54 77 - 70 - 4278/1.8=7, ~10786=6...(37) HG3 LYS 86 + HB3 LEU 126 OK 52 98 - 53 - 4278/1.8=6, 4286=6...(18) HB3 LYS 123 - HB3 LEU 126 OK 22 77 - 28 - 4278/1.8=3, 4286=3...(14) HG2 LYS 48 - HB3 LEU 126 OK 10 62 - 16 - ~10257=1, 4278/1.8=1...(4) Peak 4287 from cnoeabs.peaks (0.64, 1.84, 41.41 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 126 OK 60 96 - 62 - 4279/1.8=13, 4295/3.0=10...(17) Peak 4288 from cnoeabs.peaks (0.79, 1.84, 41.41 ppm; 3.89 A): 4 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.1=100 QG2 THR 74 + HB3 LEU 126 OK 76 94 - 81 - 4288=12, ~9492=12...(25) QD1 LEU 79 + HB3 LEU 126 OK 54 89 - 61 - 4288=9, 2.1/4287=7...(24) QG1 VAL 80 + HB3 LEU 126 OK 51 96 - 53 - 4288=8, 4280/1.8=7...(20) QD2 LEU 95 - HB3 LEU 126 OK 19 72 - 26 - 4288=4, 4280/1.8=3...(12) Peak 4290 from cnoeabs.peaks (7.46, 1.46, 27.00 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.92: * H LEU 126 + HG LEU 126 OK 91 100 - 91 - 5.2=40, 4298/2.1=27...(18) HE22 GLN 62 + HG LEU 126 OK 14 72 - 19 - 4298/2.1=5, 4274/3.0=4...(5) Peak 4291 from cnoeabs.peaks (4.15, 1.46, 27.00 ppm; 4.18 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 126 + HG LEU 126 OK 99 100 - 99 - 4.3=94, 3.0/4290=29...(21) HA LYS 76 + HG LEU 126 OK 76 100 - 77 - 4299/2.1=10, 2240=10...(28) HA3 GLY 125 + HG LEU 126 OK 64 98 - 66 - 3.6/4290=25, ~9496=18...(10) HA GLU 131 - HG LEU 126 OK 35 96 - 36 - 9554/2.1=6, 4.2/10406=5...(11) HB2 SER 44 - HG LEU 126 OK 13 81 - 16 - 4299/2.1=2, 4283/3.0=1...(6) HB3 SER 44 - HG LEU 126 OK 13 81 - 16 - 4299/2.1=2, 4283/3.0=1...(6) HA GLU 120 - HG LEU 126 OK 12 68 - 18 - ~9438=5, 4013=3...(7) Peak 4292 from cnoeabs.peaks (1.57, 1.46, 27.00 ppm; 3.48 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 126 + HG LEU 126 OK 100 100 - 100 - 3.0=100 HG3 ARG 124 + HG LEU 126 OK 86 92 - 93 - 11072/2.1=18, ~11071=14...(47) HB2 LEU 66 + HG LEU 126 OK 58 100 - 58 - ~10786=6, ~11154=5...(29) HG2 ARG 109 - HG LEU 126 OK 32 96 - 33 - ~10254=4, 4300/2.1=3...(13) HD2 LYS 85 - HG LEU 126 OK 30 100 - 30 - 4300/2.1=3, 3.6/4293=2...(14) HG3 ARG 109 - HG LEU 126 OK 29 85 - 34 - ~10254=4, 4300/2.1=3...(14) HD3 LYS 85 - HG LEU 126 OK 29 96 - 30 - 4300/2.1=3, 3.6/4293=2...(14) HG2 ARG 145 - HG LEU 126 OK 17 100 - 17 - 4300/2.1=2, ~10257=1...(5) HG3 ARG 145 - HG LEU 126 OK 17 100 - 16 - 4300/2.1=2, ~10257=1...(6) Peak 4293 from cnoeabs.peaks (1.84, 1.46, 27.00 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 126 + HG LEU 126 OK 100 100 - 100 - 3.0=100 HB2 LYS 93 - HG LEU 126 OK 44 100 - 44 - 4301/2.1=11, 4277/3.0=9...(12) Peak 4294 from cnoeabs.peaks (1.46, 1.46, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 126 + HG LEU 126 OK 100 100 - 100 Peak 4295 from cnoeabs.peaks (0.64, 1.46, 27.00 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 126 + HG LEU 126 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 + HG LEU 126 OK 52 96 - 54 - 4287/3.0=10, 4279/3.0=9...(15) Peak 4296 from cnoeabs.peaks (0.79, 1.46, 27.00 ppm; 3.45 A): 4 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + HG LEU 126 OK 100 100 - 100 - 2.1=100 QG2 THR 74 + HG LEU 126 OK 72 94 - 77 - ~9492=13, ~8605=12...(22) QG1 VAL 80 + HG LEU 126 OK 48 96 - 50 - 4304/2.1=6, ~2428=5...(21) QD1 LEU 79 + HG LEU 126 OK 45 89 - 51 - 4304/2.1=7, 2.1/4295=6...(21) QD2 LEU 95 - HG LEU 126 OK 16 72 - 22 - 4304/2.1=3, ~10257=2...(10) Peak 4298 from cnoeabs.peaks (7.46, 0.64, 24.26 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 126 + QD1 LEU 126 OK 97 100 - 97 - 4.7=66, 4290/2.1=33...(23) HE22 GLN 62 - QD1 LEU 126 OK 19 72 - 25 - 4290/2.1=5, 4274/3.1=4...(7) Peak 4299 from cnoeabs.peaks (4.15, 0.64, 24.26 ppm; 3.48 A): 3 out of 7 assignments used, quality = 0.99: * HA LEU 126 + QD1 LEU 126 OK 93 100 - 93 - 4.0=67, 4272/2.1=21...(21) HA LYS 76 + QD1 LEU 126 OK 62 100 - 62 - 3.6/8673=10, 2240/2.1=8...(24) HA3 GLY 125 + QD1 LEU 126 OK 52 98 - 53 - 3.0/9496=20, 3.6/4298=16...(10) HA GLU 131 - QD1 LEU 126 OK 23 96 - 24 - 9554/2.1=4, ~9557=3...(10) HA GLU 120 - QD1 LEU 126 OK 13 68 - 20 - 3.8/9494=5, 3.8/9494=4...(7) HB2 SER 44 - QD1 LEU 126 poor 10 81 - 12 - 4307/2.1=1, 4291/2.1=1 HB3 SER 44 - QD1 LEU 126 poor 10 81 - 12 - 4307/2.1=1, 4291/2.1=1 Peak 4300 from cnoeabs.peaks (1.57, 0.64, 24.26 ppm; 3.24 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 3.1=100 HG3 ARG 124 + QD1 LEU 126 OK 83 92 - 90 - 1.8/11071=18, 11072=16...(40) HB2 LEU 66 + QD1 LEU 126 OK 50 100 - 50 - 3.0/10786=7, 1.8/4302=7...(23) HG2 ARG 109 - QD1 LEU 126 OK 32 96 - 34 - 3.0/10254=5, 3.9/9272=5...(11) HG3 ARG 109 - QD1 LEU 126 OK 29 85 - 34 - 3.0/10254=5, 3.9/9272=5...(14) HD2 LYS 85 - QD1 LEU 126 OK 26 100 - 26 - 4292/2.1=2, 4308/2.1=2...(11) HD3 LYS 85 - QD1 LEU 126 OK 25 96 - 26 - 4292/2.1=2, 4308/2.1=2...(11) HG2 ARG 145 - QD1 LEU 126 OK 17 100 - 17 - 2.9/10257=2, 4292/2.1=1 HG3 ARG 145 - QD1 LEU 126 OK 17 100 - 17 - 2.9/10257=2, 4292/2.1=1 Peak 4301 from cnoeabs.peaks (1.84, 0.64, 24.26 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 3.1=100 HB2 LYS 93 - QD1 LEU 126 OK 37 100 - 37 - 4293/2.1=8, 4277/3.1=7...(9) Peak 4302 from cnoeabs.peaks (1.46, 0.64, 24.26 ppm; 3.14 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 2.1=100 HB2 LYS 76 + QD1 LEU 126 OK 60 98 - 62 - 1.8/4301=8, 4.6/8673=6...(30) HG3 LYS 86 - QD1 LEU 126 OK 37 98 - 38 - ~2708=4, ~2708=4...(17) HB3 LEU 66 - QD1 LEU 126 OK 35 77 - 45 - 3.0/10786=7, 1.8/4300=4...(24) HB3 LYS 123 - QD1 LEU 126 OK 13 77 - 17 - ~4109=1, 4310/2.1=1...(5) HG2 LYS 48 - QD1 LEU 126 poor 7 62 - 11 - 3.0/10257=2, 3.0/10257=1 Peak 4303 from cnoeabs.peaks (0.64, 0.64, 24.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 126 + QD1 LEU 126 OK 100 100 - 100 Peak 4304 from cnoeabs.peaks (0.79, 0.64, 24.26 ppm; 2.53 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 2.1=100 QG2 THR 74 + QD1 LEU 126 OK 50 94 - 53 - 2.1/9492=11, 3.2/9493=11...(17) QD1 LEU 79 - QD1 LEU 126 OK 37 89 - 42 - 4.2/10350=6, 2402=3...(17) QG1 VAL 80 - QD1 LEU 126 OK 32 96 - 33 - 4311=6, 4296/2.1=3...(16) QD2 LEU 95 - QD1 LEU 126 OK 13 72 - 18 - 3.9/10253=2, 3.1/10257=2...(4) Peak 4306 from cnoeabs.peaks (7.46, 0.79, 22.01 ppm; 3.52 A): 4 out of 6 assignments used, quality = 0.94: * H LEU 126 + QD2 LEU 126 OK 88 100 - 88 - 4.8=39, 4290/2.1=25...(15) H LEU 126 + QG2 THR 74 OK 23 68 - 33 - 7579=8, 3.0/4272=5...(8) H LEU 126 + QG1 VAL 80 OK 22 71 - 30 - 7579=7, 3.0/4272=5...(10) HE22 GLN 62 + QD2 LEU 126 OK 13 72 - 18 - 4298/2.1=4, 4290/2.1=4...(6) HE22 GLN 62 - QG1 VAL 80 lone 3 44 - 7 - 4.6/8759=4, 5.8/9993=1 HE22 GLN 62 - QG2 THR 74 lone 1 42 - 2 - Peak 4307 from cnoeabs.peaks (4.15, 0.79, 22.01 ppm; 2.59 A): 7 out of 21 assignments used, quality = 0.93: * HA LEU 126 + QD2 LEU 126 OK 65 100 - 65 - 3.9=30, 3.0/4306=8...(14) HA LYS 76 + QD2 LEU 126 OK 39 100 - 39 - 4307=7, 2240/2.1=5...(17) HA3 GLY 125 + QD2 LEU 126 OK 33 98 - 33 - 3.6/4306=7, 4307=6...(10) HA GLU 131 + QG1 VAL 80 OK 25 65 - 39 - 4307=6, 3.0/10404=4...(16) HA GLU 131 + QD2 LEU 126 OK 17 96 - 17 - 4307=3, 4.2/9559=2...(10) HA LEU 126 + QG2 THR 74 OK 14 68 - 20 - 4272=5, 3.0/4309=3...(7) HA LEU 126 + QG1 VAL 80 OK 13 71 - 18 - 4272=5, 3.0/4280=2...(7) HA LYS 76 - QG2 THR 74 poor 8 66 - 12 - 3.0/8620=4, ~6804=3, 3.6/8672=2 HA GLU 120 - QD2 LEU 126 lone 7 68 - 10 - 2.9/9438=2, 3.8/9989=2...(4) HB3 SER 44 - QD2 LEU 126 lone 6 81 - 7 - 4307=1 HB2 SER 44 - QD2 LEU 126 lone 6 81 - 7 - 4307=1 HA3 GLY 125 - QG2 THR 74 lone 5 64 - 7 - 3.6/7579=2, 4262/4.0=1 HA LYS 76 - QG1 VAL 80 lone 3 70 - 4 - HA3 GLY 125 - QG1 VAL 80 lone 3 67 - 4 - 3.6/7579=2, 4307=1 HA GLU 131 - QG2 THR 74 lone 2 62 - 3 - HA GLU 120 - QG2 THR 74 lone 1 39 - 3 - HA GLU 120 - QG1 VAL 80 lone 0 41 - 1 - HB3 SER 44 - QG2 THR 74 lone 0 48 - 1 - HB2 SER 44 - QG2 THR 74 lone 0 48 - 1 - HB3 SER 44 - QG1 VAL 80 lone 0 51 - 1 - HB2 SER 44 - QG1 VAL 80 lone 0 51 - 0 - Peak 4308 from cnoeabs.peaks (1.57, 0.79, 22.01 ppm; 2.98 A): 3 out of 27 assignments used, quality = 0.99: * HB2 LEU 126 + QD2 LEU 126 OK 94 100 - 94 - 3.1=86, 1.8/4309=16...(16) HG3 ARG 124 + QD2 LEU 126 OK 76 92 - 83 - 11072/2.1=12, 11073=12...(39) HB2 LEU 66 + QD2 LEU 126 OK 49 100 - 49 - 1.8/4310=5, ~10786=4...(25) HB2 LEU 126 - QG2 THR 74 OK 38 68 - 56 - 4280=7, 1.8/4309=7...(22) HG2 ARG 109 - QD2 LEU 126 OK 29 96 - 30 - 4308=3, 4300/2.1=3...(13) HG3 ARG 109 - QD2 LEU 126 OK 26 85 - 30 - 4308=3, ~10254=2...(12) HD2 LYS 85 - QD2 LEU 126 OK 26 100 - 26 - 4308=3, 4300/2.1=2...(11) HB2 LEU 126 - QG1 VAL 80 OK 25 71 - 35 - 4280=5, 1.8/4309=4...(17) HD3 LYS 85 - QD2 LEU 126 OK 24 96 - 25 - 4308=3, 4300/2.1=2...(11) HB2 LEU 66 - QG1 VAL 80 OK 19 71 - 27 - ~9984=3, 8778/4.2=3...(16) HG3 ARG 124 - QG1 VAL 80 OK 16 60 - 27 - 11073=5, 3.0/9481=4...(9) HG2 ARG 145 - QD2 LEU 126 OK 16 100 - 16 - 4308=2, 4300/2.1=1...(4) HG3 ARG 145 - QD2 LEU 126 OK 16 100 - 16 - 4308=2, 4300/2.1=1...(4) HG3 ARG 124 - QG2 THR 74 poor 10 57 - 17 - 1.8/11070=2, 4239/4.0=2...(9) HD2 LYS 85 - QG1 VAL 80 lone 4 71 - 6 - HG2 ARG 109 - QG1 VAL 80 lone 4 65 - 6 - 8778/4.2=1 HB2 LEU 66 - QG2 THR 74 lone 4 67 - 6 - 4.4/11231=2, 3.9/11441=1 HD3 LYS 85 - QG1 VAL 80 lone 3 65 - 5 - HG3 ARG 109 - QG1 VAL 80 lone 3 54 - 5 - 8778/4.2=1 HG2 ARG 145 - QG1 VAL 80 lone 2 71 - 3 - HG3 ARG 145 - QG1 VAL 80 lone 2 71 - 3 - HG2 ARG 109 - QG2 THR 74 lone 2 62 - 3 - HG3 ARG 109 - QG2 THR 74 lone 2 51 - 3 - HD2 LYS 85 - QG2 THR 74 lone 1 67 - 2 - HD3 LYS 85 - QG2 THR 74 lone 1 62 - 2 - HG2 ARG 145 - QG2 THR 74 lone 1 68 - 1 - HG3 ARG 145 - QG2 THR 74 lone 1 67 - 1 - Peak 4309 from cnoeabs.peaks (1.84, 0.79, 22.01 ppm; 2.99 A): 2 out of 6 assignments used, quality = 0.96: * HB3 LEU 126 + QD2 LEU 126 OK 93 100 - 93 - 3.1=87, 3.0/4272=12...(15) HB3 LEU 126 + QG2 THR 74 OK 39 68 - 57 - ~9492=6, ~8605=6...(23) HB2 LYS 93 - QD2 LEU 126 OK 33 100 - 33 - 4301/2.1=7, 4293/2.1=7...(9) HB3 LEU 126 - QG1 VAL 80 OK 24 71 - 33 - 1.8/4280=4, 4288=4...(16) HB2 LYS 93 - QG1 VAL 80 poor 8 71 - 11 - ~8753=1 HB2 LYS 93 - QG2 THR 74 lone 3 67 - 5 - Peak 4310 from cnoeabs.peaks (1.46, 0.79, 22.01 ppm; 3.03 A): 3 out of 18 assignments used, quality = 1.00: * HG LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 2.1=100 HB2 LYS 76 + QD2 LEU 126 OK 57 98 - 59 - 4302/2.1=7, 1.8/4309=6...(32) HG LEU 126 + QG2 THR 74 OK 45 68 - 67 - ~9492=10, ~8605=9...(22) HB3 LEU 66 - QD2 LEU 126 OK 38 77 - 49 - 4302/2.1=4, ~10786=4...(25) HG3 LYS 86 - QD2 LEU 126 OK 35 98 - 36 - 4310=4, 4302/2.1=4...(16) HG LEU 126 - QG1 VAL 80 OK 29 71 - 41 - 4296=6, 2.1/4304=5...(19) HB3 LYS 123 - QD2 LEU 126 OK 15 77 - 19 - 4.2/9476=3, 4310=2...(7) HB3 LEU 66 - QG1 VAL 80 OK 12 48 - 25 - ~9984=3, ~9946=3...(15) HB2 LYS 76 - QG1 VAL 80 poor 8 67 - 12 - ~8753=2, ~8753=1, ~8745=1 HB2 LYS 76 - QG2 THR 74 poor 7 64 - 12 - 4.0/8620=4, 4.6/8672=2 HB3 LYS 123 - QG1 VAL 80 poor 6 48 - 12 - 4.2/9476=3, ~8753=2...(6) HG2 LYS 48 - QD2 LEU 126 lone 5 62 - 8 - HB3 LEU 66 - QG2 THR 74 lone 3 45 - 6 - 4.4/11231=2, 3.9/11441=1 HG3 LYS 86 - QG1 VAL 80 lone 2 67 - 4 - HB3 LYS 123 - QG2 THR 74 lone 2 45 - 5 - 3.0/8615=1, 4128/4.0=1 HG3 LYS 86 - QG2 THR 74 lone 1 64 - 2 - HG2 LYS 48 - QG1 VAL 80 lone 1 37 - 1 - HG2 LYS 48 - QG2 THR 74 lone 0 35 - 1 - Peak 4311 from cnoeabs.peaks (0.64, 0.79, 22.01 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 2.1=100 QD1 LEU 126 - QG2 THR 74 OK 35 68 - 52 - 9492/2.1=11, 9493/3.2=11...(17) QD2 LEU 64 - QD2 LEU 126 OK 34 96 - 36 - 4295/2.1=5, 4311=4...(14) QD1 LEU 126 - QG1 VAL 80 OK 23 71 - 33 - 4304=7, 2.1/4296=3...(15) QD2 LEU 64 - QG2 THR 74 poor 7 62 - 12 - 8605/2.1=3, 8603/3.2=1 QD2 LEU 64 - QG1 VAL 80 lone 5 65 - 7 - Peak 4312 from cnoeabs.peaks (0.79, 0.79, 22.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 126 + QD2 LEU 126 OK 100 100 - 100 QG1 VAL 80 + QG1 VAL 80 OK 65 65 - 100 QG2 THR 74 + QG2 THR 74 OK 59 59 - 100 Peak 4315 from cnoeabs.peaks (4.72, 4.72, 57.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 127 + HA SER 127 OK 100 100 - 100 Peak 4316 from cnoeabs.peaks (3.84, 4.72, 57.07 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 127 + HA SER 127 OK 100 100 - 100 - 3.0=100 HA LEU 72 - HA SER 127 OK 18 96 - 19 - 4326/3.0=4, 7596/3.6=3...(10) HA MET 68 - HA SER 127 OK 17 100 - 17 - 7596/3.6=4, 4326/3.0=3...(7) HA ALA 104 - HA SER 127 OK 10 100 - 10 - 4326/3.0=4, 7596/3.6=2...(5) HA GLN 133 - HA SER 127 lone 5 85 - 6 - 4326/3.0=2, 7596/3.6=1 HD2 PRO 118 - HA SER 127 lone 4 68 - 6 - 4.8/7450=1 HB2 SER 100 - HA SER 127 lone 4 77 - 5 - 4326/3.0=1, 7596/3.6=1 Peak 4317 from cnoeabs.peaks (3.99, 4.72, 57.07 ppm; 3.59 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 127 + HA SER 127 OK 100 100 - 100 - 3.0=100 HA GLU 75 - HA SER 127 OK 22 85 - 26 - 4322/3.0=5, ~2208=3...(11) HA LEU 69 - HA SER 127 OK 12 85 - 15 - 7597/3.6=3, 4322/3.0=2...(5) HA MET 113 - HA SER 127 OK 12 81 - 15 - ~10352=6, 4322/3.0=3...(4) HB3 SER 138 - HA SER 127 lone 5 85 - 6 - 4322/3.0=1 HB2 SER 138 - HA SER 127 lone 5 85 - 6 - 4322/3.0=1 HA LYS 114 - HA SER 127 lone 3 81 - 4 - HA GLU 122 - HA SER 127 lone 2 81 - 2 - HA3 GLY 143 - HA SER 127 lone 2 62 - 3 - 7597/3.6=2 Peak 4318 from cnoeabs.peaks (8.30, 4.72, 57.07 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 128 + HA SER 127 OK 100 100 - 100 - 3.6=100 H VAL 71 - HA SER 127 OK 29 92 - 31 - 4323/3.0=7, 4328/3.0=7...(10) H THR 99 - HA SER 127 OK 16 92 - 18 - 11676/3.0=8, 4328/3.0=4...(5) H THR 18 - HA SER 127 lone 5 100 - 5 - 4328/3.0=1, 4329/4.8=1 H LEU 64 - HA SER 127 lone 4 62 - 6 - 7592/2.9=3, 4323/3.0=1 Peak 4320 from cnoeabs.peaks (4.72, 3.84, 64.70 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 127 + HB2 SER 127 OK 100 100 - 100 - 3.0=100 HA LEU 116 - HB2 SER 127 OK 24 89 - 28 - 4325/1.8=5, 3.9/9375=5...(10) HA THR 51 - HB2 SER 127 OK 23 100 - 22 - 4325/1.8=6, 3.2/8213=4...(9) Peak 4321 from cnoeabs.peaks (3.84, 3.84, 64.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 127 + HB2 SER 127 OK 100 100 - 100 Peak 4322 from cnoeabs.peaks (3.99, 3.84, 64.70 ppm; 3.94 A): 2 out of 9 assignments used, quality = 1.00: * HB3 SER 127 + HB2 SER 127 OK 100 100 - 100 - 1.8=100 HA GLU 75 + HB2 SER 127 OK 49 85 - 58 - 3.0/2208=10, 3.0/2216=10...(14) HA LEU 69 - HB2 SER 127 OK 22 85 - 26 - 2.9/6684=3, 3.6/6702=3...(9) HA MET 113 - HB2 SER 127 OK 20 81 - 25 - 3.0/10352=10...(8) HB2 SER 138 - HB2 SER 127 OK 10 85 - 12 - 4.0/10474=2 HB3 SER 138 - HB2 SER 127 OK 10 85 - 12 - 4.0/10474=2 HA LYS 114 - HB2 SER 127 lone 6 81 - 7 - HA GLU 122 - HB2 SER 127 lone 5 81 - 7 - HA3 GLY 143 - HB2 SER 127 lone 3 62 - 4 - 7597/4.7=1 Peak 4323 from cnoeabs.peaks (8.30, 3.84, 64.70 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.98: * H ASN 128 + HB2 SER 127 OK 97 100 - 97 - 4.7=90, 7595/3.0=39...(8) H VAL 71 + HB2 SER 127 OK 49 92 - 53 - 4328/1.8=10, 3.9/8506=7...(16) H THR 99 - HB2 SER 127 OK 24 92 - 27 - 4.0/10119=6, 4328/1.8=6...(8) H LEU 64 - HB2 SER 127 poor 8 62 - 13 - 4.4/9520=3, 7592/4.0=3 H THR 18 - HB2 SER 127 lone 7 100 - 7 - 4328/1.8=2, 4318/3.0=1 Peak 4325 from cnoeabs.peaks (4.72, 3.99, 64.70 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 127 + HB3 SER 127 OK 100 100 - 100 - 3.0=100 HA THR 51 - HB3 SER 127 OK 22 100 - 22 - 4320/1.8=6, ~8213=3...(10) HA LEU 116 - HB3 SER 127 OK 18 89 - 21 - 4320/1.8=6, ~3863=3...(8) Peak 4326 from cnoeabs.peaks (3.84, 3.99, 64.70 ppm; 4.03 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 127 + HB3 SER 127 OK 100 100 - 100 - 1.8=100 HA LEU 72 - HB3 SER 127 OK 34 96 - 36 - 4316/3.0=4, 2.9/6736=3...(16) HA MET 68 - HB3 SER 127 OK 30 100 - 30 - 7596/4.7=4, 4316/3.0=4...(11) HA ALA 104 - HB3 SER 127 OK 24 100 - 24 - 3.6/9207=6, ~3405=2...(8) HA GLN 133 - HB3 SER 127 OK 12 85 - 14 - 9617/9521=2, 4316/3.0=1, ~7684=1 HB2 SER 100 - HB3 SER 127 poor 8 77 - 10 - 9165/9521=2 HD2 PRO 118 - HB3 SER 127 lone 5 68 - 8 - Peak 4327 from cnoeabs.peaks (3.99, 3.99, 64.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 127 + HB3 SER 127 OK 100 100 - 100 Peak 4328 from cnoeabs.peaks (8.30, 3.99, 64.70 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.94: * H ASN 128 + HB3 SER 127 OK 90 100 - 90 - 4.7=76, 7595/3.0=36...(7) H VAL 71 + HB3 SER 127 OK 38 92 - 41 - 4323/1.8=9, 4318/3.0=6...(14) H THR 99 - HB3 SER 127 OK 22 92 - 24 - 11676/1.8=8, 4.0/10159=8...(6) H THR 18 - HB3 SER 127 lone 6 100 - 6 - 4323/1.8=1, 4318/3.0=1 H LEU 64 - HB3 SER 127 lone 6 62 - 9 - 7592/4.0=2, 3.8/9521=2 Peak 4329 from cnoeabs.peaks (8.30, 5.26, 50.43 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 128 + HA ASN 128 OK 100 100 - 100 - 2.9=100 H VAL 71 - HA ASN 128 OK 26 92 - 28 - 4341/3.0=5, 4335/3.0=5...(9) H THR 99 - HA ASN 128 OK 12 92 - 13 - 4341/3.0=3, 4335/3.0=3...(7) H THR 18 - HA ASN 128 lone 8 100 - 8 - 4341/3.0=2, 4335/3.0=2...(4) H LEU 64 - HA ASN 128 lone 2 62 - 4 - Peak 4330 from cnoeabs.peaks (5.26, 5.26, 50.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HA ASN 128 OK 100 100 - 100 Peak 4331 from cnoeabs.peaks (2.79, 5.26, 50.43 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 128 + HA ASN 128 OK 100 100 - 100 - 3.0=100 HB3 ASN 139 - HA ASN 128 OK 26 94 - 27 - 4331=8, 9526/3.8=4...(9) HB3 ASP 41 - HA ASN 128 OK 22 100 - 22 - 4331=7, 4343/3.0=3...(8) HB3 TYR 119 - HA ASN 128 lone 2 62 - 2 - Peak 4332 from cnoeabs.peaks (2.99, 5.26, 50.43 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 128 + HA ASN 128 OK 100 100 - 100 - 3.0=100 HA VAL 82 - HA ASN 128 OK 36 100 - 36 - 4332=12, 4338/3.0=6...(14) HA VAL 71 - HA ASN 128 OK 18 72 - 24 - 2.9/4329=4, 7600/2.9=3...(11) HB2 ASP 30 - HA ASN 128 OK 16 94 - 17 - 9525/3.8=7, 10275/3.8=2...(5) HB3 HIS 14 - HA ASN 128 lone 2 98 - 2 - Peak 4333 from cnoeabs.peaks (7.72, 5.26, 50.43 ppm; 5.27 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 128 + HA ASN 128 OK 100 100 - 100 - 4.6=100 H LEU 132 + HA ASN 128 OK 53 92 - 58 - 10403/4.8=22...(9) H GLN 62 - HA ASN 128 OK 21 85 - 25 - 4345/3.0=4, 7601/2.9=3...(10) H SER 100 - HA ASN 128 OK 17 92 - 18 - 10155/2.9=7, 4345/3.0=3...(5) Peak 4335 from cnoeabs.peaks (8.30, 2.79, 39.64 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 128 + HB2 ASN 128 OK 100 100 - 100 - 3.9=100 H VAL 71 - HB2 ASN 128 OK 27 92 - 29 - 4341/1.8=7, 4329/3.0=5...(10) H THR 99 - HB2 ASN 128 OK 14 92 - 15 - 4341/1.8=3, 7604/3.4=3...(5) H THR 18 - HB2 ASN 128 OK 10 100 - 10 - 4341/1.8=3, 7610/3.4=2...(4) H LEU 64 - HB2 ASN 128 lone 4 62 - 7 - 4.5/9524=2 Peak 4336 from cnoeabs.peaks (5.26, 2.79, 39.64 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HB2 ASN 128 OK 100 100 - 100 - 3.0=100 Peak 4337 from cnoeabs.peaks (2.79, 2.79, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 128 + HB2 ASN 128 OK 100 100 - 100 Peak 4338 from cnoeabs.peaks (2.99, 2.79, 39.64 ppm; 2.60 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 128 + HB2 ASN 128 OK 100 100 - 100 - 1.8=100 HA VAL 82 - HB2 ASN 128 OK 19 100 - 19 - 4332/3.0=4, 7607/3.4=2...(11) HA VAL 71 - HB2 ASN 128 poor 10 72 - 14 - 2.9/4335=2, 4332/3.0=2...(7) HB2 ASP 30 - HB2 ASN 128 lone 7 94 - 8 - 9525/4.8=3, 4332/3.0=1 HB3 HIS 14 - HB2 ASN 128 lone 2 98 - 2 - Peak 4339 from cnoeabs.peaks (7.72, 2.79, 39.64 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.97: * HD21 ASN 128 + HB2 ASN 128 OK 97 100 - 97 - 3.4=91, 1.7/7612=30...(13) H LEU 132 - HB2 ASN 128 OK 33 92 - 36 - 4345/1.8=8, 4.5/10359=7...(9) H GLN 62 - HB2 ASN 128 poor 10 85 - 11 - 4345/1.8=3, 4333/3.0=1...(4) H SER 100 - HB2 ASN 128 lone 9 92 - 9 - 10155/3.9=2, 4345/1.8=2...(4) Peak 4340 from cnoeabs.peaks (7.00, 2.79, 39.64 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 128 + HB2 ASN 128 OK 100 100 - 100 - 3.4=100 HD22 ASN 130 - HB2 ASN 128 OK 25 100 - 25 - 5.5/10356=9, 4346/1.8=6...(7) QE PHE 43 - HB2 ASN 128 lone 6 99 - 6 - 4346/1.8=1 HZ PHE 45 - HB2 ASN 128 lone 6 92 - 6 - 4346/1.8=1, 10399/10359=1 HZ PHE 67 - HB2 ASN 128 lone 3 100 - 3 - HH2 TRP 17 - HB2 ASN 128 lone 2 99 - 2 - Peak 4341 from cnoeabs.peaks (8.30, 2.99, 39.64 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 3.9=100 H VAL 71 - HB3 ASN 128 OK 32 92 - 35 - 4335/1.8=7, 4329/3.0=6...(14) H THR 99 - HB3 ASN 128 OK 15 92 - 16 - 4335/1.8=4, 7604/3.4=3...(5) H THR 18 - HB3 ASN 128 OK 12 100 - 11 - 4335/1.8=3, 7610/3.4=2...(4) H LEU 64 - HB3 ASN 128 lone 3 62 - 5 - 4335/1.8=1 Peak 4342 from cnoeabs.peaks (5.26, 2.99, 39.64 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 3.0=100 Peak 4343 from cnoeabs.peaks (2.79, 2.99, 39.64 ppm; 2.59 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 1.8=100 HB3 ASN 139 - HB3 ASN 128 OK 12 94 - 13 - 4331/3.0=3, 7612/3.4=1...(8) HB3 ASP 41 - HB3 ASN 128 OK 11 100 - 11 - 4331/3.0=2, 7612/3.4=1...(5) HB3 TYR 119 - HB3 ASN 128 lone 1 62 - 2 - Peak 4344 from cnoeabs.peaks (2.99, 2.99, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 128 + HB3 ASN 128 OK 100 100 - 100 Peak 4345 from cnoeabs.peaks (7.72, 2.99, 39.64 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 3.4=100 H LEU 132 - HB3 ASN 128 OK 40 92 - 43 - 4.6/9517=10...(9) H GLN 62 - HB3 ASN 128 OK 13 85 - 15 - 4339/1.8=2, 4.0/9515=2...(6) H SER 100 - HB3 ASN 128 poor 10 92 - 10 - 10155/3.9=3, 4339/1.8=2...(4) Peak 4346 from cnoeabs.peaks (7.00, 2.99, 39.64 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 3.4=100 HD22 ASN 130 - HB3 ASN 128 OK 32 100 - 32 - 5.5/10539=13, 4340/1.8=8...(7) HZ PHE 45 - HB3 ASN 128 lone 8 92 - 8 - 10399/10357=2, 4340/1.8=2 QE PHE 43 - HB3 ASN 128 lone 7 99 - 7 - 4340/1.8=2, 7602/3.9=1 HZ PHE 67 - HB3 ASN 128 lone 4 100 - 4 - 4340/1.8=1 HH2 TRP 17 - HB3 ASN 128 lone 3 99 - 3 - Peak 4347 from cnoeabs.peaks (5.26, 3.92, 50.80 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.97: * HA ASN 128 + HD2 PRO 129 OK 97 100 - 97 - 3.8=68, 4349/1.8=35...(30) Peak 4348 from cnoeabs.peaks (3.92, 5.26, 50.43 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.95: * HD2 PRO 129 + HA ASN 128 OK 93 100 - 93 - 3.8=53, 1.8/4349=30...(30) HA LYS 86 + HA ASN 128 OK 27 85 - 31 - 4350=7, 4364/3.8=5...(11) HA2 GLY 143 - HA ASN 128 OK 19 81 - 23 - 4348=7, 4364/3.8=4...(7) HA TYR 112 - HA ASN 128 lone 6 81 - 7 - 4348=2, 4364/3.8=1 Peak 4349 from cnoeabs.peaks (5.26, 3.94, 50.80 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.97: * HA ASN 128 + HD3 PRO 129 OK 97 100 - 97 - 3.8=70, 4347/1.8=36...(29) Peak 4350 from cnoeabs.peaks (3.94, 5.26, 50.43 ppm; 3.08 A): 1 out of 7 assignments used, quality = 0.93: * HD3 PRO 129 + HA ASN 128 OK 93 100 - 93 - 3.8=54, 1.8/4347=31...(29) HA2 GLY 143 - HA ASN 128 OK 26 89 - 29 - 4348=8, 4364/3.8=5...(9) HA LYS 86 - HA ASN 128 OK 23 85 - 27 - 4350=7, 4357/3.8=4...(9) HA LEU 29 - HA ASN 128 OK 18 100 - 18 - 3.7/10263=8, 4350=5, 4357/3.8=2 HA ALA 60 - HA ASN 128 lone 2 68 - 3 - HA LYS 48 - HA ASN 128 lone 1 81 - 1 - HA3 GLY 94 - HA ASN 128 lone 1 68 - 1 - Peak 4351 from cnoeabs.peaks (4.61, 3.92, 50.80 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 3.6=100 HA HIS 10 - HD2 PRO 129 OK 34 99 - 34 - 4391/2.3=8, 4359/1.8=8...(6) HA ARG 124 - HD2 PRO 129 OK 33 85 - 38 - 4375/3.0=8, 4391/2.3=8...(7) Peak 4352 from cnoeabs.peaks (2.08, 3.92, 50.80 ppm; 3.80 A): 4 out of 10 assignments used, quality = 1.00: * HB2 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 3.0=100 HB2 GLU 131 + HD2 PRO 129 OK 61 85 - 71 - 4.0/10376=10...(36) HB3 GLN 62 + HD2 PRO 129 OK 54 92 - 59 - 4392/2.3=6, 4400/2.3=6...(28) HD2 ARG 49 + HD2 PRO 129 OK 46 96 - 48 - 3.7/9824=7, 3.0/9825=5...(18) HB3 LYS 61 - HD2 PRO 129 OK 39 100 - 39 - 4400/2.3=4, 4360/1.8=4...(19) HB2 LEU 26 - HD2 PRO 129 OK 18 99 - 18 - 4392/2.3=2, 4400/2.3=2...(7) HG3 PRO 33 - HD2 PRO 129 OK 18 77 - 24 - 4384/3.0=2, 4360/1.8=2...(11) HG2 GLU 122 - HD2 PRO 129 OK 15 100 - 15 - 4400/2.3=2, 4360/1.8=2...(7) HB3 LYS 36 - HD2 PRO 129 poor 7 68 - 11 - 10612/3.8=5 HG2 PRO 118 - HD2 PRO 129 lone 5 85 - 6 - Peak 4353 from cnoeabs.peaks (2.59, 3.92, 50.80 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 3.0=100 Peak 4354 from cnoeabs.peaks (2.17, 3.92, 50.80 ppm; 3.80 A): 3 out of 4 assignments used, quality = 1.00: * HG2 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HD2 PRO 129 OK 94 99 - 95 - 4402/2.3=14, 4362/1.8=13...(54) HB2 GLN 25 + HD2 PRO 129 OK 53 85 - 62 - 4362/1.8=8, 4402/2.3=8...(23) HB3 PRO 57 - HD2 PRO 129 OK 21 94 - 22 - 4362/1.8=3, 4402/2.3=2...(10) Peak 4355 from cnoeabs.peaks (2.26, 3.92, 50.80 ppm; 3.81 A): 4 out of 7 assignments used, quality = 1.00: * HG3 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLU 131 + HD2 PRO 129 OK 55 81 - 68 - 5.0/10376=9, 4363/1.8=5...(31) HB3 MET 113 + HD2 PRO 129 OK 49 92 - 53 - 4395/2.3=5, 4363/1.8=5...(32) HG3 GLU 90 + HD2 PRO 129 OK 46 96 - 48 - 4395/2.3=5, 4363/1.8=5...(25) HG2 GLU 90 - HD2 PRO 129 OK 41 85 - 48 - 4395/2.3=4, 4363/1.8=4...(25) HG2 MET 113 - HD2 PRO 129 OK 37 77 - 47 - 4395/2.3=4, 4363/1.8=4...(30) HG3 GLU 142 - HD2 PRO 129 OK 31 81 - 38 - 10395/4.8=3, 4363/1.8=3...(22) Peak 4356 from cnoeabs.peaks (3.92, 3.92, 50.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 129 + HD2 PRO 129 OK 100 100 - 100 Peak 4357 from cnoeabs.peaks (3.94, 3.92, 50.80 ppm; 2.90 A): 2 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 1.8=100 HA LYS 86 + HD2 PRO 129 OK 52 85 - 60 - 4397/2.3=6, 3.0/4354=6...(32) HA2 GLY 143 - HD2 PRO 129 OK 42 89 - 47 - 1.8/4871=10, 4364/1.8=7...(16) HA LEU 29 - HD2 PRO 129 OK 20 100 - 20 - 4405/2.3=2, 4397/2.3=2...(11) HA LYS 48 - HD2 PRO 129 lone 5 81 - 6 - 4.8/8198=3, 3.6/7395=1 HA ALA 60 - HD2 PRO 129 lone 5 68 - 7 - ~9852=1 HA3 GLY 94 - HD2 PRO 129 lone 2 68 - 2 - Peak 4359 from cnoeabs.peaks (4.61, 3.94, 50.80 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 3.6=100 HA HIS 10 - HD3 PRO 129 OK 34 99 - 34 - 4351/1.8=8, 4391/2.3=8...(6) HA ARG 124 - HD3 PRO 129 OK 34 85 - 39 - 4375/3.0=8, 4391/2.3=8...(7) Peak 4360 from cnoeabs.peaks (2.08, 3.94, 50.80 ppm; 3.95 A): 4 out of 10 assignments used, quality = 1.00: * HB2 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 3.0=100 HB2 GLU 131 + HD3 PRO 129 OK 60 85 - 71 - 11644/4.8=9, 4352/1.8=7...(35) HB3 GLN 62 + HD3 PRO 129 OK 56 92 - 61 - 4392/2.3=6, 4400/2.3=6...(27) HD2 ARG 49 + HD3 PRO 129 OK 46 96 - 47 - ~8194=6, 4352/1.8=5...(17) HB3 LYS 61 - HD3 PRO 129 OK 42 100 - 42 - 3.0/8334=5, 4400/2.3=4...(21) HB2 LEU 26 - HD3 PRO 129 OK 20 99 - 20 - 4392/2.3=2, 4352/1.8=2...(8) HG3 PRO 33 - HD3 PRO 129 OK 19 77 - 25 - 4384/3.0=2, 4352/1.8=2...(14) HG2 GLU 122 - HD3 PRO 129 OK 16 100 - 16 - 4352/1.8=2, 4400/2.3=2...(7) HB3 LYS 36 - HD3 PRO 129 poor 8 68 - 12 - 10612/3.8=5 HG2 PRO 118 - HD3 PRO 129 lone 5 85 - 6 - Peak 4361 from cnoeabs.peaks (2.59, 3.94, 50.80 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 3.0=100 Peak 4362 from cnoeabs.peaks (2.17, 3.94, 50.80 ppm; 3.77 A): 3 out of 4 assignments used, quality = 1.00: * HG2 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HD3 PRO 129 OK 94 99 - 95 - 4402/2.3=14, 1.8/2682=14...(50) HB2 GLN 25 + HD3 PRO 129 OK 56 85 - 66 - 4402/2.3=8, 4354/1.8=7...(26) HB3 PRO 57 - HD3 PRO 129 OK 22 94 - 23 - 4354/1.8=3, 4402/2.3=2...(13) Peak 4363 from cnoeabs.peaks (2.26, 3.94, 50.80 ppm; 3.80 A): 4 out of 7 assignments used, quality = 1.00: * HG3 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLU 131 + HD3 PRO 129 OK 51 81 - 63 - 4355/1.8=6, 4395/2.3=5...(29) HB3 MET 113 + HD3 PRO 129 OK 48 92 - 52 - 4395/2.3=5, 4355/1.8=5...(30) HG3 GLU 90 + HD3 PRO 129 OK 46 96 - 48 - 4395/2.3=5, 4355/1.8=5...(25) HG2 GLU 90 - HD3 PRO 129 OK 41 85 - 47 - 4395/2.3=4, 4355/1.8=4...(25) HG2 MET 113 - HD3 PRO 129 OK 36 77 - 46 - 4395/2.3=4, 4355/1.8=4...(29) HG3 GLU 142 - HD3 PRO 129 OK 31 81 - 38 - 10395/4.8=3, 4.9/7870=3...(22) Peak 4364 from cnoeabs.peaks (3.92, 3.94, 50.80 ppm; 2.89 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 1.8=100 HA LYS 86 + HD3 PRO 129 OK 56 85 - 66 - 4396/2.3=7, 4404/2.3=7...(30) HA2 GLY 143 - HD3 PRO 129 OK 37 81 - 45 - 1.8/4871=6, ~4871=5...(19) HA TYR 112 - HD3 PRO 129 OK 11 81 - 14 - 4396/2.3=2, 4404/2.3=2...(7) Peak 4365 from cnoeabs.peaks (3.94, 3.94, 50.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 129 + HD3 PRO 129 OK 100 100 - 100 Peak 4367 from cnoeabs.peaks (4.61, 4.61, 65.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 129 + HA PRO 129 OK 100 100 - 100 Peak 4368 from cnoeabs.peaks (2.08, 4.61, 65.40 ppm; 4.48 A): 5 out of 10 assignments used, quality = 1.00: * HB2 PRO 129 + HA PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 131 + HA PRO 129 OK 64 85 - 75 - 4.6/10403=20...(26) HB3 LYS 61 + HA PRO 129 OK 59 100 - 59 - 1.8/10267=11...(22) HB3 GLN 62 + HA PRO 129 OK 56 92 - 61 - 1765=10, ~1759=6...(20) HD2 ARG 49 + HA PRO 129 OK 55 96 - 57 - 2.9/11684=18, ~1298=6...(17) HG3 PRO 33 - HA PRO 129 OK 33 77 - 42 - 1.8/10525=11, 4368=3...(21) HG2 GLU 122 - HA PRO 129 OK 28 100 - 28 - 3.0/10267=5, 4368=2...(14) HB2 LEU 26 - HA PRO 129 OK 28 99 - 28 - ~253=3, 4368=2...(15) HB3 LYS 36 - HA PRO 129 OK 14 68 - 20 - 10612/4.8=7...(3) HG2 PRO 118 - HA PRO 129 poor 10 85 - 11 - 7617/3.6=2, 7661/10403=1 Peak 4369 from cnoeabs.peaks (2.59, 4.61, 65.40 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HA PRO 129 OK 100 100 - 100 - 2.3=100 Peak 4370 from cnoeabs.peaks (2.17, 4.61, 65.40 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.8=100 HB3 LYS 86 + HA PRO 129 OK 74 99 - 75 - 4378/2.3=15, 4386/2.3=15...(17) HB2 GLN 25 - HA PRO 129 OK 42 85 - 50 - 4370=10, 4386/2.3=9...(13) HB3 PRO 57 - HA PRO 129 OK 20 94 - 21 - 10589/10277=3...(10) Peak 4371 from cnoeabs.peaks (2.26, 4.61, 65.40 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.8=100 HG2 GLU 131 - HA PRO 129 OK 42 81 - 52 - 4.2/10402=6, 4379/2.3=6...(18) HG3 GLU 90 - HA PRO 129 OK 37 96 - 39 - 4387/2.3=5, 4379/2.3=5...(15) HB3 MET 113 - HA PRO 129 OK 35 92 - 38 - 4387/2.3=5, 4379/2.3=5...(15) HG2 GLU 90 - HA PRO 129 OK 31 85 - 36 - 4387/2.3=5, 4379/2.3=4...(14) HG3 GLU 142 - HA PRO 129 OK 27 81 - 34 - 4.0/10379=7, 4379/2.3=3...(15) HG2 MET 113 - HA PRO 129 OK 26 77 - 33 - 9325/10270=4, 4387/2.3=4...(14) Peak 4372 from cnoeabs.peaks (3.92, 4.61, 65.40 ppm; 5.43 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.6=100 HA LYS 86 + HA PRO 129 OK 73 85 - 85 - 4380/2.3=14, 4388/2.3=14...(16) HA2 GLY 143 + HA PRO 129 OK 56 81 - 69 - 4372=14, 4388/2.3=13...(13) HA TYR 112 - HA PRO 129 OK 24 81 - 29 - 4388/2.3=5, 4380/2.3=5...(8) Peak 4373 from cnoeabs.peaks (3.94, 4.61, 65.40 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.6=100 HA LYS 86 + HA PRO 129 OK 74 85 - 86 - 3.0/4370=16, ~4386=16...(16) HA2 GLY 143 + HA PRO 129 OK 70 89 - 79 - 4388/2.3=15, 4364/3.6=15...(13) HA LEU 29 - HA PRO 129 OK 39 100 - 39 - 4389/2.3=6, 4381/2.3=6...(8) HA ALA 60 - HA PRO 129 OK 16 68 - 24 - 4381/2.3=3, 8318/10271=3...(8) HA LYS 48 - HA PRO 129 lone 8 81 - 9 - 4381/2.3=2, 4357/3.6=1 HA3 GLY 94 - HA PRO 129 lone 6 68 - 9 - 7622/3.6=1 Peak 4375 from cnoeabs.peaks (4.61, 2.08, 31.98 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 2.3=100 HA ARG 124 - HB2 PRO 129 OK 32 85 - 37 - 4383/1.8=7, 4391/2.3=5...(12) HA HIS 10 - HB2 PRO 129 OK 25 99 - 25 - 4383/1.8=6, 4391/2.3=6...(6) Peak 4376 from cnoeabs.peaks (2.08, 2.08, 31.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 129 + HB2 PRO 129 OK 100 100 - 100 Peak 4377 from cnoeabs.peaks (2.59, 2.08, 31.98 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 1.8=100 Peak 4378 from cnoeabs.peaks (2.17, 2.08, 31.98 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HB2 PRO 129 OK 79 99 - 80 - 4386/1.8=11, 4402/2.3=11...(46) HB2 GLN 25 - HB2 PRO 129 OK 43 85 - 50 - 4386/1.8=7, 4402/2.3=6...(25) HB3 PRO 57 - HB2 PRO 129 OK 14 94 - 14 - 4386/1.8=2, 4370/2.3=2...(5) Peak 4379 from cnoeabs.peaks (2.26, 2.08, 31.98 ppm; 3.18 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLU 131 - HB2 PRO 129 OK 42 81 - 52 - 1.8/4463=5, 4387/1.8=4...(29) HB3 MET 113 - HB2 PRO 129 OK 37 92 - 40 - 4387/1.8=4, 4395/2.3=4...(20) HG3 GLU 90 - HB2 PRO 129 OK 37 96 - 38 - 4387/1.8=4, 4395/2.3=4...(18) HG2 GLU 90 - HB2 PRO 129 OK 32 85 - 38 - 4387/1.8=4, 4395/2.3=3...(18) HG2 MET 113 - HB2 PRO 129 OK 27 77 - 35 - 4387/1.8=3, 4395/2.3=3...(20) HG3 GLU 142 - HB2 PRO 129 OK 24 81 - 30 - 1.8/4855=3, 4387/1.8=2...(14) Peak 4380 from cnoeabs.peaks (3.92, 2.08, 31.98 ppm; 3.86 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 3.0=100 HA LYS 86 + HB2 PRO 129 OK 69 85 - 81 - 4396/2.3=12, 3.0/4378=12...(27) HA2 GLY 143 + HB2 PRO 129 OK 46 81 - 57 - 4396/2.3=9, 4364/3.0=9...(16) HA TYR 112 - HB2 PRO 129 OK 20 81 - 25 - 4404/2.3=4, 4388/1.8=3...(11) Peak 4381 from cnoeabs.peaks (3.94, 2.08, 31.98 ppm; 3.96 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 3.0=100 HA LYS 86 + HB2 PRO 129 OK 68 85 - 79 - 3.0/4378=12, 4397/2.3=10...(27) HA2 GLY 143 + HB2 PRO 129 OK 56 89 - 63 - 4396/2.3=10, 4364/3.0=10...(17) HA LEU 29 - HB2 PRO 129 OK 31 100 - 32 - 4389/1.8=4, 4405/2.3=4...(11) HA ALA 60 - HB2 PRO 129 OK 13 68 - 19 - 4.8/1652=3, ~9852=3...(8) HA LYS 48 - HB2 PRO 129 poor 9 81 - 10 - 4.8/1244=3, 3.6/6468=2 HA3 GLY 94 - HB2 PRO 129 lone 3 68 - 5 - Peak 4382 from cnoeabs.peaks (8.68, 2.08, 31.98 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 130 + HB2 PRO 129 OK 100 100 - 100 - 4.1=100 H VAL 53 - HB2 PRO 129 OK 13 98 - 14 - 10379/2.3=4, 4390/1.8=4, ~9840=3 H THR 92 - HB2 PRO 129 lone 8 92 - 8 - 4390/1.8=2, 10379/2.3=2...(4) Peak 4383 from cnoeabs.peaks (4.61, 2.59, 31.98 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 2.3=100 HA ARG 124 - HB3 PRO 129 OK 28 85 - 33 - 4375/1.8=6, 4391/2.3=5...(12) HA HIS 10 - HB3 PRO 129 OK 23 99 - 23 - 4375/1.8=5, 4391/2.3=5...(6) Peak 4384 from cnoeabs.peaks (2.08, 2.59, 31.98 ppm; 2.84 A): 1 out of 10 assignments used, quality = 1.00: * HB2 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 1.8=100 HB2 GLU 131 - HB3 PRO 129 OK 40 85 - 47 - 4384=4, 4444/2.3=4...(27) HB3 GLN 62 - HB3 PRO 129 OK 36 92 - 40 - 4392/2.3=4, 3.0/4383=4...(23) HD2 ARG 49 - HB3 PRO 129 OK 30 96 - 31 - ~11684=4, 4384=3...(16) HB3 LYS 61 - HB3 PRO 129 OK 28 100 - 28 - 4384=3, ~10267=3...(12) HG3 PRO 33 - HB3 PRO 129 OK 16 77 - 21 - ~10525=3, 4384=2...(7) HB2 LEU 26 - HB3 PRO 129 OK 12 99 - 12 - 4384=1, 4392/2.3=1...(4) HG2 GLU 122 - HB3 PRO 129 OK 11 100 - 11 - 4384=1, ~10267=1 HB3 LYS 36 - HB3 PRO 129 lone 4 68 - 5 - 10613/9530=2 HG2 PRO 118 - HB3 PRO 129 lone 2 85 - 3 - Peak 4385 from cnoeabs.peaks (2.59, 2.59, 31.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HB3 PRO 129 OK 100 100 - 100 Peak 4386 from cnoeabs.peaks (2.17, 2.59, 31.98 ppm; 3.24 A): 3 out of 4 assignments used, quality = 1.00: * HG2 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HB3 PRO 129 OK 82 99 - 83 - 4378/1.8=12, 4402/2.3=11...(46) HB2 GLN 25 + HB3 PRO 129 OK 47 85 - 55 - 4386=8, 4378/1.8=7...(24) HB3 PRO 57 - HB3 PRO 129 OK 14 94 - 14 - 4378/1.8=2, 4370/2.3=2...(5) Peak 4387 from cnoeabs.peaks (2.26, 2.59, 31.98 ppm; 3.29 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLU 131 - HB3 PRO 129 OK 43 81 - 53 - 4379/1.8=5, 4395/2.3=4...(28) HG3 GLU 90 - HB3 PRO 129 OK 43 96 - 44 - 4379/1.8=5, 4395/2.3=4...(21) HB3 MET 113 - HB3 PRO 129 OK 42 92 - 46 - 4379/1.8=5, 4395/2.3=4...(25) HG2 GLU 90 - HB3 PRO 129 OK 37 85 - 43 - 4379/1.8=4, 4395/2.3=4...(20) HG2 MET 113 - HB3 PRO 129 OK 32 77 - 42 - 4379/1.8=3, 4395/2.3=3...(26) HG3 GLU 142 - HB3 PRO 129 OK 24 81 - 29 - 4379/1.8=3, ~4855=2...(15) Peak 4388 from cnoeabs.peaks (3.92, 2.59, 31.98 ppm; 3.93 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 3.0=100 HA LYS 86 + HB3 PRO 129 OK 72 85 - 84 - 4396/2.3=12, 3.0/4386=12...(29) HA2 GLY 143 + HB3 PRO 129 OK 52 81 - 63 - 4388=10, 4396/2.3=9...(18) HA TYR 112 - HB3 PRO 129 OK 23 81 - 28 - 4388=4, 4380/1.8=4...(12) Peak 4389 from cnoeabs.peaks (3.94, 2.59, 31.98 ppm; 3.98 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 3.0=100 HA LYS 86 + HB3 PRO 129 OK 70 85 - 82 - 3.0/4386=12, 4397/2.3=10...(28) HA2 GLY 143 + HB3 PRO 129 OK 61 89 - 69 - 4388=11, 4396/2.3=10...(19) HA LEU 29 - HB3 PRO 129 OK 34 100 - 34 - 4389=5, 4381/1.8=4...(12) HA ALA 60 - HB3 PRO 129 OK 11 68 - 16 - ~9852=3, 4381/1.8=2...(7) HA LYS 48 - HB3 PRO 129 lone 4 81 - 5 - 4381/1.8=1 HA3 GLY 94 - HB3 PRO 129 lone 4 68 - 5 - Peak 4390 from cnoeabs.peaks (8.68, 2.59, 31.98 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 130 + HB3 PRO 129 OK 100 100 - 100 - 4.1=100 H VAL 53 - HB3 PRO 129 OK 13 98 - 13 - 10379/2.3=5, 4382/1.8=5, ~9840=3 H THR 92 - HB3 PRO 129 lone 8 92 - 8 - 4382/1.8=3, 10379/2.3=2...(4) Peak 4391 from cnoeabs.peaks (4.61, 2.17, 27.79 ppm; 3.65 A): 3 out of 3 assignments used, quality = 0.94: * HA PRO 129 + HG2 PRO 129 OK 90 100 - 90 - 3.8=85, 4.8/9529=14...(4) HA HIS 10 + HG2 PRO 129 OK 25 99 - 26 - 4399/1.8=6, 4383/2.3=6...(5) HA ARG 124 + HG2 PRO 129 OK 25 85 - 30 - 4375/2.3=7, 4383/2.3=7...(6) Peak 4392 from cnoeabs.peaks (2.08, 2.17, 27.79 ppm; 2.89 A): 1 out of 10 assignments used, quality = 1.00: * HB2 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 131 - HG2 PRO 129 OK 36 85 - 43 - 4444/1.8=5, 4384/2.3=4...(23) HB3 GLN 62 - HG2 PRO 129 OK 35 92 - 39 - 4400/1.8=4, 4384/2.3=4...(19) HD2 ARG 49 - HG2 PRO 129 OK 27 96 - 28 - 1.8/11512=5, 4384/2.3=3...(13) HB3 LYS 61 - HG2 PRO 129 OK 22 100 - 22 - 4384/2.3=3, 4400/1.8=3...(12) HB2 LEU 26 - HG2 PRO 129 OK 13 99 - 13 - 3.9/10916=2, 4400/1.8=1...(4) HG3 PRO 33 - HG2 PRO 129 OK 11 77 - 14 - 4384/2.3=2, 4400/1.8=1 HG2 GLU 122 - HG2 PRO 129 lone 9 100 - 8 - 4384/2.3=1, 4400/1.8=1 HB3 LYS 36 - HG2 PRO 129 lone 3 68 - 4 - HG2 PRO 118 - HG2 PRO 129 lone 2 85 - 3 - Peak 4393 from cnoeabs.peaks (2.59, 2.17, 27.79 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 Peak 4394 from cnoeabs.peaks (2.17, 2.17, 27.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 129 + HG2 PRO 129 OK 100 100 - 100 Peak 4395 from cnoeabs.peaks (2.26, 2.17, 27.79 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 1.8=100 HG2 GLU 131 - HG2 PRO 129 OK 33 81 - 40 - 4379/2.3=4, 2.9/4392=3...(25) HB3 MET 113 - HG2 PRO 129 OK 31 92 - 34 - 3702/1.8=4, 4387/2.3=3...(15) HG3 GLU 90 - HG2 PRO 129 OK 30 96 - 31 - 2942/1.8=4, 4387/2.3=3...(16) HG2 GLU 90 - HG2 PRO 129 OK 26 85 - 31 - 2936/1.8=3, 4387/2.3=3...(16) HG2 MET 113 - HG2 PRO 129 OK 23 77 - 30 - 4387/2.3=2, 4379/2.3=2...(17) HG3 GLU 142 - HG2 PRO 129 OK 16 81 - 20 - 4379/2.3=2, 4387/2.3=2...(10) Peak 4396 from cnoeabs.peaks (3.92, 2.17, 27.79 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HA LYS 86 + HG2 PRO 129 OK 67 85 - 78 - 4364/2.3=10, 4404/1.8=10...(28) HA2 GLY 143 - HG2 PRO 129 OK 37 81 - 46 - 4364/2.3=8, 4404/1.8=7...(14) HA TYR 112 - HG2 PRO 129 OK 15 81 - 19 - 4404/1.8=3, 4364/2.3=3...(10) Peak 4397 from cnoeabs.peaks (3.94, 2.17, 27.79 ppm; 3.37 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HA LYS 86 + HG2 PRO 129 OK 64 85 - 75 - 2673=9, 3.0/2684=9...(28) HA2 GLY 143 + HG2 PRO 129 OK 45 89 - 51 - 4364/2.3=9, 4404/1.8=8...(15) HA LEU 29 - HG2 PRO 129 OK 25 100 - 25 - 4405/1.8=4, 4357/2.3=3...(10) HA ALA 60 - HG2 PRO 129 poor 7 68 - 11 - ~9852=2, 4381/2.3=1...(5) HA LYS 48 - HG2 PRO 129 lone 3 81 - 4 - HA3 GLY 94 - HG2 PRO 129 lone 2 68 - 3 - Peak 4399 from cnoeabs.peaks (4.61, 2.26, 27.79 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 3.8=100 HA ARG 124 - HG3 PRO 129 OK 30 85 - 36 - 4375/2.3=8, 4383/2.3=8...(7) HA HIS 10 - HG3 PRO 129 OK 30 99 - 30 - 4391/1.8=7, 4375/2.3=6...(5) Peak 4400 from cnoeabs.peaks (2.08, 2.26, 27.79 ppm; 3.21 A): 2 out of 10 assignments used, quality = 1.00: * HB2 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 131 + HG3 PRO 129 OK 45 85 - 53 - 4392/1.8=5, 4384/2.3=5...(31) HB3 GLN 62 - HG3 PRO 129 OK 42 92 - 46 - 4392/1.8=5, 1768=5...(22) HD2 ARG 49 - HG3 PRO 129 OK 31 96 - 33 - 4392/1.8=4, 4384/2.3=4...(14) HB3 LYS 61 - HG3 PRO 129 OK 30 100 - 30 - 4384/2.3=3, 4392/1.8=3...(13) HB2 LEU 26 - HG3 PRO 129 OK 14 99 - 14 - 4392/1.8=2, 4384/2.3=2...(5) HG3 PRO 33 - HG3 PRO 129 OK 13 77 - 17 - 4384/2.3=2, 4392/1.8=2...(6) HG2 GLU 122 - HG3 PRO 129 OK 11 100 - 11 - 4384/2.3=1, 4392/1.8=1...(4) HB3 LYS 36 - HG3 PRO 129 lone 5 68 - 7 - 10613/9532=2 HG2 PRO 118 - HG3 PRO 129 lone 3 85 - 4 - Peak 4401 from cnoeabs.peaks (2.59, 2.26, 27.79 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 Peak 4402 from cnoeabs.peaks (2.17, 2.26, 27.79 ppm; 2.81 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 1.8=100 HB3 LYS 86 + HG3 PRO 129 OK 69 99 - 70 - 4378/2.3=8, 4386/2.3=8...(41) HB2 GLN 25 - HG3 PRO 129 OK 35 85 - 41 - ~212=4, 4386/2.3=4...(18) HB3 PRO 57 - HG3 PRO 129 OK 10 94 - 11 - 4362/2.3=1, 4378/2.3=1...(4) Peak 4403 from cnoeabs.peaks (2.26, 2.26, 27.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 129 + HG3 PRO 129 OK 100 100 - 100 Peak 4404 from cnoeabs.peaks (3.92, 2.26, 27.79 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HA LYS 86 + HG3 PRO 129 OK 60 85 - 71 - 4396/1.8=11, 4364/2.3=10...(24) HA2 GLY 143 - HG3 PRO 129 OK 37 81 - 46 - 4364/2.3=8, 4396/1.8=8...(14) HA TYR 112 - HG3 PRO 129 OK 17 81 - 21 - 4396/1.8=3, 4364/2.3=3...(12) Peak 4405 from cnoeabs.peaks (3.94, 2.26, 27.79 ppm; 3.37 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HA LYS 86 + HG3 PRO 129 OK 57 85 - 67 - 3.0/4402=10, 4397/1.8=9...(24) HA2 GLY 143 + HG3 PRO 129 OK 46 89 - 52 - 4364/2.3=9, 4396/1.8=9...(15) HA LEU 29 - HG3 PRO 129 OK 24 100 - 25 - 4397/1.8=4, 4357/2.3=3...(11) HA ALA 60 - HG3 PRO 129 poor 8 68 - 11 - 2.1/9852=3, 4381/2.3=1...(5) HA LYS 48 - HG3 PRO 129 lone 4 81 - 5 - 3.6/7399=2 HA3 GLY 94 - HG3 PRO 129 lone 2 68 - 3 - Peak 4407 from cnoeabs.peaks (8.68, 4.57, 55.90 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 130 + HA ASN 130 OK 100 100 - 100 - 2.9=100 H VAL 53 - HA ASN 130 OK 24 98 - 24 - 4417/3.0=6, 4424/3.0=5...(8) H THR 92 - HA ASN 130 lone 7 92 - 8 - 7643/3.6=1, 4417/3.0=1 Peak 4408 from cnoeabs.peaks (4.57, 4.57, 55.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 130 + HA ASN 130 OK 100 100 - 100 Peak 4409 from cnoeabs.peaks (2.82, 4.57, 55.90 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 130 + HA ASN 130 OK 100 100 - 100 - 3.0=100 HE3 LYS 114 - HA ASN 130 OK 13 100 - 13 - 4426/3.0=2, 7624/2.9=2...(5) HB2 ASN 139 - HA ASN 130 lone 7 100 - 7 - 7624/2.9=2, 4426/3.0=1 HB2 ASP 40 - HA ASN 130 lone 6 99 - 6 - 4426/3.0=1 HB3 ASN 54 - HA ASN 130 lone 1 92 - 1 - Peak 4410 from cnoeabs.peaks (2.94, 4.57, 55.90 ppm; 2.82 A): 1 out of 11 assignments used, quality = 0.94: * HB3 ASN 130 + HA ASN 130 OK 94 100 - 94 - 3.0=81, 1.8/4418=27...(14) HE2 LYS 61 - HA ASN 130 lone 5 100 - 5 - 7646/3.6=1 HE3 LYS 61 - HA ASN 130 lone 5 100 - 5 - 7646/3.6=1 HE3 LYS 93 - HA ASN 130 lone 4 99 - 4 - 7625/2.9=1 HB2 HIS 14 - HA ASN 130 lone 3 81 - 4 - HE3 LYS 85 - HA ASN 130 lone 3 92 - 3 - HE2 LYS 93 - HA ASN 130 lone 2 68 - 3 - HE2 LYS 85 - HA ASN 130 lone 2 72 - 3 - HE3 LYS 48 - HA ASN 130 lone 1 81 - 2 - HE2 LYS 48 - HA ASN 130 lone 1 62 - 1 - HB2 TYR 115 - HA ASN 130 lone 1 62 - 1 - Peak 4414 from cnoeabs.peaks (8.04, 4.57, 55.90 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.83: * H GLN 133 + HA ASN 130 OK 83 100 - 84 - 7674=43, 7655/3.6=19...(12) H ILE 58 - HA ASN 130 poor 10 89 - 11 - 7655/3.6=4, 7671/7658=3...(4) H ARG 144 - HA ASN 130 lone 2 72 - 2 - 7655/3.6=1 Peak 4415 from cnoeabs.peaks (2.14, 4.57, 55.90 ppm; 3.40 A): 3 out of 6 assignments used, quality = 0.86: * HB2 GLN 133 + HA ASN 130 OK 60 100 - 60 - 4529=21, 1.8/4539=16...(9) HB3 GLN 133 + HA ASN 130 OK 60 100 - 60 - 4529=21, 1.8/4529=16...(9) HG3 PRO 118 + HA ASN 130 OK 11 96 - 12 - 2.3/10285=2, 7685/7674=2...(6) HG2 GLU 81 - HA ASN 130 lone 2 100 - 2 - HG LEU 29 - HA ASN 130 lone 2 68 - 2 - HG2 GLN 111 - HA ASN 130 lone 1 68 - 1 - Peak 4416 from cnoeabs.peaks (2.14, 4.57, 55.90 ppm; 3.40 A): 3 out of 6 assignments used, quality = 0.85: * HB3 GLN 133 + HA ASN 130 OK 60 100 - 60 - 4539=21, 1.8/4529=16...(9) HB2 GLN 133 + HA ASN 130 OK 60 100 - 60 - 4529=21, 1.8/4539=16...(9) HG3 PRO 118 + HA ASN 130 OK 11 94 - 12 - 2.3/10285=2, 7685/7674=2...(6) HG LEU 29 - HA ASN 130 lone 2 72 - 2 - 10833/7710=1 HG2 GLU 81 - HA ASN 130 lone 2 99 - 2 - HG2 GLN 111 - HA ASN 130 lone 0 62 - 1 - Peak 4417 from cnoeabs.peaks (8.68, 2.82, 37.39 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.94: * H ASN 130 + HB2 ASN 130 OK 94 100 - 94 - 4.0=69, 7625/1.8=29...(15) H VAL 53 - HB2 ASN 130 OK 25 98 - 25 - 4424/1.8=7, 4407/3.0=5...(8) H THR 92 - HB2 ASN 130 lone 5 92 - 5 - 4407/3.0=1, 4424/1.8=1 Peak 4418 from cnoeabs.peaks (4.57, 2.82, 37.39 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 130 + HB2 ASN 130 OK 100 100 - 100 - 3.0=99, 4410/1.8=30...(17) HA MET 59 - HB2 ASN 130 OK 11 81 - 13 - 4425/1.8=3, 7632/3.4=2...(5) Peak 4419 from cnoeabs.peaks (2.82, 2.82, 37.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 130 + HB2 ASN 130 OK 100 100 - 100 Peak 4420 from cnoeabs.peaks (2.94, 2.82, 37.39 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ASN 130 + HB2 ASN 130 OK 100 100 - 100 - 1.8=100 HE2 LYS 61 - HB2 ASN 130 lone 4 100 - 4 - HE3 LYS 61 - HB2 ASN 130 lone 4 100 - 4 - HE3 LYS 93 - HB2 ASN 130 lone 3 99 - 3 - HE3 LYS 85 - HB2 ASN 130 lone 3 92 - 3 - HB2 HIS 14 - HB2 ASN 130 lone 2 81 - 3 - HE2 LYS 93 - HB2 ASN 130 lone 2 68 - 3 - HE2 LYS 85 - HB2 ASN 130 lone 2 72 - 2 - HE3 LYS 48 - HB2 ASN 130 lone 1 81 - 1 - HB2 TYR 115 - HB2 ASN 130 lone 1 62 - 1 - HE2 LYS 48 - HB2 ASN 130 lone 1 62 - 1 - Peak 4421 from cnoeabs.peaks (7.64, 2.82, 37.39 ppm; 4.06 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 130 + HB2 ASN 130 OK 100 100 - 100 - 3.4=100 H LEU 97 - HB2 ASN 130 OK 18 85 - 21 - 10125/4.0=9, 4428/1.8=5...(5) H GLU 122 - HB2 ASN 130 lone 9 98 - 9 - 4428/1.8=3, 7641/3.4=2...(4) H VAL 82 - HB2 ASN 130 lone 5 85 - 5 - 4428/1.8=1 H LEU 66 - HB2 ASN 130 lone 3 100 - 2 - H GLY 50 - HB2 ASN 130 lone 2 72 - 2 - Peak 4422 from cnoeabs.peaks (7.00, 2.82, 37.39 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 130 + HB2 ASN 130 OK 100 100 - 100 - 3.4=100 HD22 ASN 128 - HB2 ASN 130 OK 39 100 - 39 - 10374/4.7=10, 4429/1.8=9...(9) HZ PHE 45 - HB2 ASN 130 OK 18 92 - 19 - 10399/4.7=6, 2.2/10836=5...(6) QE PHE 43 - HB2 ASN 130 lone 8 99 - 8 - 4429/1.8=2, 7627/4.0=1 HZ PHE 67 - HB2 ASN 130 lone 4 100 - 4 - 4429/1.8=1 HH2 TRP 17 - HB2 ASN 130 lone 4 99 - 4 - Peak 4423 from cnoeabs.peaks (8.18, 2.82, 37.39 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.89: * H GLU 131 + HB2 ASN 130 OK 87 100 - 87 - 4.7=57, 4430/1.8=30...(8) H GLU 142 + HB2 ASN 130 OK 17 92 - 19 - 4430/1.8=6, 7628/4.0=4...(6) Peak 4424 from cnoeabs.peaks (8.68, 2.94, 37.39 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.94: * H ASN 130 + HB3 ASN 130 OK 94 100 - 94 - 4.0=72, 7624/1.8=32...(10) H VAL 53 - HB3 ASN 130 OK 24 98 - 24 - 4417/1.8=7, 4407/3.0=5...(7) H THR 92 - HB3 ASN 130 lone 5 92 - 5 - 4417/1.8=2, 4407/3.0=2 Peak 4425 from cnoeabs.peaks (4.57, 2.94, 37.39 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 130 + HB3 ASN 130 OK 100 100 - 100 - 3.0=100 HA MET 59 - HB3 ASN 130 OK 11 81 - 13 - 4418/1.8=4, 7632/3.4=2...(5) Peak 4426 from cnoeabs.peaks (2.82, 2.94, 37.39 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 130 + HB3 ASN 130 OK 100 100 - 100 - 1.8=100 HE3 LYS 114 - HB3 ASN 130 lone 9 100 - 9 - 4409/3.0=2, 7639/3.4=1 HB2 ASN 139 - HB3 ASN 130 lone 5 100 - 5 - HB2 ASP 40 - HB3 ASN 130 lone 4 99 - 4 - HB3 ASN 54 - HB3 ASN 130 lone 1 92 - 1 - Peak 4427 from cnoeabs.peaks (2.94, 2.94, 37.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 130 + HB3 ASN 130 OK 100 100 - 100 Peak 4428 from cnoeabs.peaks (7.64, 2.94, 37.39 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 130 + HB3 ASN 130 OK 100 100 - 100 - 3.4=100 H LEU 97 - HB3 ASN 130 OK 19 85 - 22 - 10125/4.0=10, 4421/1.8=5...(6) H GLU 122 - HB3 ASN 130 OK 11 98 - 11 - 4421/1.8=3, 7641/3.4=2...(4) H VAL 82 - HB3 ASN 130 lone 4 85 - 5 - 4421/1.8=1 H LEU 66 - HB3 ASN 130 lone 3 100 - 3 - H GLY 50 - HB3 ASN 130 lone 2 72 - 2 - Peak 4429 from cnoeabs.peaks (7.00, 2.94, 37.39 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 130 + HB3 ASN 130 OK 100 100 - 100 - 3.4=100 HD22 ASN 128 - HB3 ASN 130 OK 42 100 - 42 - 10374/4.7=10, 4422/1.8=8...(12) HZ PHE 45 - HB3 ASN 130 OK 19 92 - 21 - 10399/4.7=6, ~10836=6...(6) QE PHE 43 - HB3 ASN 130 lone 8 99 - 8 - 4422/1.8=2, 7627/4.0=1 HZ PHE 67 - HB3 ASN 130 lone 5 100 - 4 - 4422/1.8=1 HH2 TRP 17 - HB3 ASN 130 lone 4 99 - 4 - Peak 4430 from cnoeabs.peaks (8.18, 2.94, 37.39 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.90: * H GLU 131 + HB3 ASN 130 OK 88 100 - 88 - 4.7=60, 4423/1.8=32...(8) H GLU 142 + HB3 ASN 130 OK 17 92 - 18 - 4423/1.8=6, 7628/4.0=4...(5) Peak 4431 from cnoeabs.peaks (8.18, 4.14, 58.26 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 131 + HA GLU 131 OK 100 100 - 100 - 3.0=100 H GLU 142 - HA GLU 131 OK 39 92 - 43 - 4440/3.0=10, 4447/3.0=8...(10) Peak 4432 from cnoeabs.peaks (4.14, 4.14, 58.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 131 + HA GLU 131 OK 100 100 - 100 Peak 4433 from cnoeabs.peaks (2.09, 4.14, 58.26 ppm; 3.36 A): 2 out of 12 assignments used, quality = 1.00: * HB2 GLU 131 + HA GLU 131 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HA GLU 131 OK 45 85 - 53 - 2.3/10402=7, 4.1/9546=7...(26) HB3 GLU 142 - HA GLU 131 OK 44 85 - 51 - 3.0/4435=6, 4.0/4431=5...(27) HG3 PRO 33 - HA GLU 131 OK 26 100 - 26 - 2.3/4436=3, 4449/3.0=3...(11) HB3 LYS 61 - HA GLU 131 OK 19 72 - 26 - 4441=3, ~9549=3...(12) HG2 PRO 33 - HA GLU 131 OK 17 72 - 23 - 2.3/4436=3, 4449/3.0=2...(9) HG2 GLU 122 - HA GLU 131 OK 13 89 - 14 - ~9550=3, ~9549=2...(4) HB VAL 53 - HA GLU 131 poor 8 81 - 10 - 7661/3.6=2, 2.1/9555=2 HG2 PRO 118 - HA GLU 131 lone 6 100 - 6 - 7661/3.6=2 HB2 LEU 26 - HA GLU 131 lone 5 68 - 8 - HB3 LYS 36 - HA GLU 131 lone 5 99 - 5 - HB3 GLN 25 - HA GLU 131 lone 3 89 - 4 - Peak 4434 from cnoeabs.peaks (2.45, 4.14, 58.26 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 131 + HA GLU 131 OK 100 100 - 100 - 3.0=100 HG3 GLU 131 + HA GLU 131 OK 60 77 - 78 - 4.2=45, 1.8/4455=15...(19) HG3 GLU 28 - HA GLU 131 OK 16 100 - 16 - 4443/3.0=3, ~330=2...(9) HG2 MET 11 - HA GLU 131 lone 3 72 - 4 - Peak 4435 from cnoeabs.peaks (2.27, 4.14, 58.26 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.95: * HG2 GLU 131 + HA GLU 131 OK 84 100 - 84 - 4.2=51, 1.8/4462=19...(14) HG3 GLU 142 + HA GLU 131 OK 49 100 - 50 - 4455=9, 4444/3.0=7...(19) HG3 PRO 129 + HA GLU 131 OK 38 81 - 47 - ~10376=6, 3.8/10402=6...(20) HB3 MET 113 - HA GLU 131 OK 10 100 - 10 - 7663/3.6=2, 4451/3.0=2...(5) HG2 GLU 90 - HA GLU 131 lone 7 100 - 7 - 7663/3.6=1, 7652/3.0=1 HG2 GLN 62 - HA GLU 131 lone 5 68 - 7 - 7663/3.6=2, 4.9/4437=1 HG3 GLU 81 - HA GLU 131 lone 3 72 - 4 - HG3 GLU 75 - HA GLU 131 lone 3 62 - 4 - Peak 4436 from cnoeabs.peaks (2.44, 4.14, 58.26 ppm; 3.17 A): 2 out of 6 assignments used, quality = 0.96: * HG3 GLU 131 + HA GLU 131 OK 81 100 - 81 - 4.2=45, 1.8/4455=15...(21) HB3 GLU 131 + HA GLU 131 OK 77 77 - 100 - 3.0=100 HB3 PRO 33 - HA GLU 131 OK 20 94 - 22 - 7653/3.0=3, 4445/3.0=3...(8) HG3 GLU 28 - HA GLU 131 poor 10 72 - 13 - ~330=2, 4.9/4438=2...(7) HG2 MET 11 - HA GLU 131 lone 5 100 - 5 - HG2 MET 68 - HA GLU 131 lone 3 81 - 3 - Peak 4437 from cnoeabs.peaks (7.73, 4.14, 58.26 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 132 + HA GLU 131 OK 100 100 - 100 - 3.6=100 HD21 ASN 128 + HA GLU 131 OK 58 92 - 63 - 10373/3.0=10, 9513/3.0=9...(17) H GLN 62 - HA GLU 131 OK 20 100 - 20 - 7654/3.0=4, 4446/3.0=3...(6) H SER 100 - HA GLU 131 OK 13 100 - 12 - 7654/3.0=3, 4453/3.0=2...(7) Peak 4438 from cnoeabs.peaks (7.69, 4.14, 58.26 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.85: * H ALA 134 + HA GLU 131 OK 82 100 - 82 - 7711=35, 7672/3.6=28...(9) H GLU 28 + HA GLU 131 OK 18 98 - 18 - 6112/3.0=6, ~309=3...(6) H PHE 106 - HA GLU 131 lone 7 99 - 7 - 4575/4574=2, 7672/3.6=2 Peak 4439 from cnoeabs.peaks (1.48, 4.14, 58.26 ppm; 3.07 A): 3 out of 5 assignments used, quality = 0.76: * QB ALA 134 + HA GLU 131 OK 68 100 - 68 - 4574=35, 2.9/7711=15...(9) HB3 LEU 29 + HA GLU 131 OK 18 92 - 19 - 10531/3.0=4, 10425/3.6=2...(10) HG13 ILE 101 + HA GLU 131 OK 12 81 - 14 - 2.1/9555=3, 3.2/9555=2...(7) HD3 LYS 114 - HA GLU 131 lone 3 72 - 3 - HG3 LYS 86 - HA GLU 131 lone 1 81 - 1 - Peak 4440 from cnoeabs.peaks (8.18, 2.09, 30.00 ppm; 3.23 A): 2 out of 2 assignments used, quality = 0.92: * H GLU 131 + HB2 GLU 131 OK 85 100 - 86 - 4.0=52, 7651/1.8=22...(21) H GLU 142 + HB2 GLU 131 OK 46 92 - 50 - 4447/1.8=9, 4461/2.9=8...(16) Peak 4441 from cnoeabs.peaks (4.14, 2.09, 30.00 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 3.0=100 HA LEU 126 - HB2 GLU 131 OK 27 96 - 28 - 4448/1.8=6, 4462/2.9=5...(10) HA LYS 76 - HB2 GLU 131 OK 21 89 - 23 - 4448/1.8=5, 4462/2.9=4...(9) HA3 GLY 125 - HB2 GLU 131 lone 5 81 - 6 - 4448/1.8=1, 4462/2.9=1 Peak 4442 from cnoeabs.peaks (2.09, 2.09, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 131 + HB2 GLU 131 OK 100 100 - 100 Peak 4443 from cnoeabs.peaks (2.45, 2.09, 30.00 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 1.8=100 HG3 GLU 131 + HB2 GLU 131 OK 77 77 - 100 - 2.9=100 HG3 GLU 28 - HB2 GLU 131 OK 20 100 - 20 - ~330=3, ~323=3, ~316=3...(10) HG2 MET 11 - HB2 GLU 131 lone 3 72 - 4 - Peak 4444 from cnoeabs.peaks (2.27, 2.09, 30.00 ppm; 2.61 A): 3 out of 8 assignments used, quality = 0.94: * HG2 GLU 131 + HB2 GLU 131 OK 84 100 - 84 - 2.9=71, 4457/1.8=11...(14) HG3 GLU 142 + HB2 GLU 131 OK 43 100 - 43 - 4862=6, 1.8/4855=5...(17) HG3 PRO 129 + HB2 GLU 131 OK 31 81 - 38 - 1.8/4392=4, 4451/1.8=4...(16) HB3 MET 113 - HB2 GLU 131 lone 10 100 - 10 - 4451/1.8=1, 4465/2.9=1 HG2 GLU 90 - HB2 GLU 131 lone 5 100 - 5 - HG2 GLN 62 - HB2 GLU 131 lone 4 68 - 5 - HG3 GLU 75 - HB2 GLU 131 lone 2 62 - 3 - HG3 GLU 81 - HB2 GLU 131 lone 2 72 - 3 - Peak 4445 from cnoeabs.peaks (2.44, 2.09, 30.00 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 2.9=100 HB3 GLU 131 + HB2 GLU 131 OK 77 77 - 100 - 1.8=100 HB3 PRO 33 - HB2 GLU 131 OK 24 94 - 25 - 4436/3.0=2, 462=2...(11) HG3 GLU 28 - HB2 GLU 131 OK 13 72 - 18 - ~330=3, ~323=3, ~316=3...(8) HG2 MET 11 - HB2 GLU 131 lone 5 100 - 5 - HG2 MET 68 - HB2 GLU 131 lone 2 81 - 3 - Peak 4446 from cnoeabs.peaks (7.73, 2.09, 30.00 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 132 + HB2 GLU 131 OK 92 100 - 92 - 4.6=74, 7662/1.8=27...(13) HD21 ASN 128 + HB2 GLU 131 OK 82 92 - 89 - 9513/1.8=16, ~9517=14...(24) H GLN 62 - HB2 GLU 131 OK 34 100 - 34 - 4453/1.8=5, 3.5/1672=5...(10) H SER 100 - HB2 GLU 131 OK 17 100 - 17 - 4453/1.8=3, 4467/2.9=3...(6) Peak 4447 from cnoeabs.peaks (8.18, 2.45, 30.00 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 4.0=97, 4440/1.8=30...(22) H GLU 142 + HB3 GLU 131 OK 56 92 - 61 - 4440/1.8=16, 4461/2.9=12...(16) Peak 4448 from cnoeabs.peaks (4.14, 2.45, 30.00 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 3.0=100 HA LEU 126 - HB3 GLU 131 OK 37 96 - 39 - 4441/1.8=8, 4448=7...(11) HA LYS 76 - HB3 GLU 131 OK 28 89 - 32 - 4441/1.8=6, 4462/2.9=5...(10) HA3 GLY 125 - HB3 GLU 131 lone 7 81 - 9 - 4448=2, 4441/1.8=1, 4462/2.9=1 Peak 4449 from cnoeabs.peaks (2.09, 2.45, 30.00 ppm; 3.24 A): 3 out of 12 assignments used, quality = 1.00: * HB2 GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 1.8=100 HB3 GLU 142 + HB3 GLU 131 OK 57 85 - 67 - 3.0/4451=6, 4850/2.9=6...(40) HB2 PRO 129 + HB3 GLU 131 OK 54 85 - 63 - 4.1/9545=6, 2.3/4451=5...(37) HG3 PRO 33 - HB3 GLU 131 OK 35 100 - 35 - 476/2.9=3, 4449=3...(12) HG2 PRO 33 - HB3 GLU 131 OK 24 72 - 33 - 1.8/4449=3, ~4445=2...(14) HB3 LYS 61 - HB3 GLU 131 OK 20 72 - 28 - 4443=4, ~1663=3, ~1673=2...(12) HG2 GLU 122 - HB3 GLU 131 OK 11 89 - 13 - 3.0/9556=3, 7650/4.0=1 HB VAL 53 - HB3 GLU 131 poor 8 81 - 10 - 2.1/9558=1, 7661/4.6=1, ~10291=1 HB2 LEU 26 - HB3 GLU 131 poor 8 68 - 12 - ~10568=2 HG2 PRO 118 - HB3 GLU 131 lone 6 100 - 6 - 7661/4.6=1 HB3 LYS 36 - HB3 GLU 131 lone 6 99 - 6 - HB3 GLN 25 - HB3 GLU 131 lone 4 89 - 5 - Peak 4450 from cnoeabs.peaks (2.45, 2.45, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 131 + HB3 GLU 131 OK 100 100 - 100 Peak 4451 from cnoeabs.peaks (2.27, 2.45, 30.00 ppm; 3.61 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 2.9=100 HG3 GLU 142 + HB3 GLU 131 OK 71 100 - 71 - 4444/1.8=11, 4465/2.9=9...(31) HG3 PRO 129 + HB3 GLU 131 OK 54 81 - 66 - 4444/1.8=8, 2.3/4449=6...(36) HB3 MET 113 - HB3 GLU 131 OK 21 100 - 21 - 4444/1.8=3, 4451=2...(7) HG2 GLU 90 - HB3 GLU 131 OK 11 100 - 11 - 4444/1.8=1, 4451=1...(5) HG2 GLN 62 - HB3 GLU 131 poor 8 68 - 11 - 4.9/4453=2, 7663/4.6=2 HG3 GLU 75 - HB3 GLU 131 lone 5 62 - 8 - HG3 GLU 81 - HB3 GLU 131 lone 4 72 - 5 - 9969/9557=1 Peak 4452 from cnoeabs.peaks (2.44, 2.45, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HB3 GLU 131 + HB3 GLU 131 OK 77 77 - 100 Reference assignment not found: HG3 GLU 131 - HB3 GLU 131 Peak 4453 from cnoeabs.peaks (7.73, 2.45, 30.00 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 132 + HB3 GLU 131 OK 92 100 - 92 - 4.6=79, 7659/4.0=25...(11) HD21 ASN 128 + HB3 GLU 131 OK 86 92 - 93 - 3.4/9517=21, 9513=18...(28) H GLN 62 - HB3 GLU 131 OK 31 100 - 31 - 4446/1.8=6, 4467/2.9=4...(8) H SER 100 - HB3 GLU 131 OK 18 100 - 18 - 4446/1.8=3, 4467/2.9=3...(8) Peak 4454 from cnoeabs.peaks (8.18, 2.27, 36.81 ppm; 3.68 A): 3 out of 4 assignments used, quality = 0.98: * H GLU 131 + HG2 GLU 131 OK 89 100 - 89 - 5.0=40, 4461/1.8=26...(19) H GLU 142 + HG2 GLU 131 OK 56 92 - 61 - 4461/1.8=14, 7861=13...(12) H GLU 142 + HG3 GLU 142 OK 51 55 - 92 - 5.0=39, 7860/1.8=27...(18) H GLU 131 - HG3 GLU 142 OK 35 66 - 53 - 7652=12, 3.0/4435=8...(15) Peak 4455 from cnoeabs.peaks (4.14, 2.27, 36.81 ppm; 3.37 A): 4 out of 8 assignments used, quality = 0.94: * HA GLU 131 + HG2 GLU 131 OK 86 100 - 86 - 4.2=54, 4462/1.8=20...(14) HA GLU 131 + HG3 GLU 142 OK 34 66 - 52 - 4435=12, 3.0/4444=8...(19) HA LEU 126 + HG2 GLU 131 OK 26 96 - 27 - 4462/1.8=6, 4448/2.9=5...(7) HA LYS 76 + HG2 GLU 131 OK 20 89 - 22 - 4462/1.8=5, 4448/2.9=4...(8) HA LEU 126 - HG3 GLU 142 lone 6 60 - 10 - ~11582=3, 3.9/9559=2...(4) HA3 GLY 125 - HG2 GLU 131 lone 4 81 - 5 - 4462/1.8=1 HA LYS 76 - HG3 GLU 142 lone 4 53 - 7 - 3.6/8679=1, ~6808=1 HA3 GLY 125 - HG3 GLU 142 lone 1 47 - 2 - Peak 4456 from cnoeabs.peaks (2.09, 2.27, 36.81 ppm; 3.05 A): 3 out of 24 assignments used, quality = 1.00: * HB2 GLU 131 + HG2 GLU 131 OK 100 100 - 100 - 2.9=100 HB3 GLU 142 + HG3 GLU 142 OK 50 50 - 100 - 3.0=100 HB3 GLU 142 + HG2 GLU 131 OK 47 85 - 56 - 1.8/4843=9, 4850=9...(26) HB2 PRO 129 - HG2 GLU 131 OK 39 85 - 46 - 4463/1.8=4, 4449/2.9=4...(29) HB2 GLU 131 - HG3 GLU 142 OK 38 66 - 58 - 4444=12, 1.8/4451=7...(25) HG3 PRO 33 - HG2 GLU 131 OK 26 100 - 26 - 476/1.8=4, 4449/2.9=2...(10) HG2 PRO 33 - HG2 GLU 131 OK 18 72 - 25 - 2.3/4459=2, 4463/1.8=2...(11) HB2 PRO 129 - HG3 GLU 142 OK 13 50 - 27 - 4855/1.8=3, 4841/3.0=3...(12) HB3 LYS 61 - HG2 GLU 131 OK 13 72 - 18 - 4443/2.9=2, 4445/1.8=2...(8) HG3 PRO 33 - HG3 GLU 142 OK 10 65 - 16 - 4855/1.8=2, ~4855=1...(4) HG2 GLU 122 - HG2 GLU 131 lone 7 89 - 8 - ~9556=1 HG2 PRO 33 - HG3 GLU 142 poor 6 41 - 15 - 4855/1.8=2, 4841/3.0=2...(4) HB2 LEU 26 - HG2 GLU 131 lone 6 68 - 9 - ~10568=3 HB VAL 53 - HG2 GLU 131 lone 5 81 - 6 - HG2 PRO 118 - HG2 GLU 131 lone 4 100 - 4 - HB3 LYS 36 - HG2 GLU 131 lone 4 99 - 4 - HB3 LYS 36 - HG3 GLU 142 lone 4 63 - 6 - HB3 GLN 25 - HG3 GLU 142 lone 3 53 - 6 - HB3 GLN 25 - HG2 GLU 131 lone 3 89 - 3 - HG2 PRO 118 - HG3 GLU 142 lone 2 66 - 3 - HB3 LYS 61 - HG3 GLU 142 lone 1 41 - 3 - HG2 GLU 122 - HG3 GLU 142 lone 1 53 - 2 - HB VAL 53 - HG3 GLU 142 lone 1 47 - 2 - HB2 LEU 26 - HG3 GLU 142 lone 0 37 - 1 - Peak 4457 from cnoeabs.peaks (2.45, 2.27, 36.81 ppm; 2.71 A): 2 out of 8 assignments used, quality = 0.98: * HB3 GLU 131 + HG2 GLU 131 OK 89 100 - 89 - 2.9=80, 1.8/4444=16...(12) HG3 GLU 131 + HG2 GLU 131 OK 77 77 - 100 - 1.8=100 HB3 GLU 131 - HG3 GLU 142 OK 31 66 - 47 - 1.8/4444=8, 4451=5...(18) HG3 GLU 131 - HG3 GLU 142 OK 21 44 - 48 - 4465=7, 2.9/4444=5...(21) HG3 GLU 28 - HG2 GLU 131 OK 14 100 - 14 - ~330=3, ~323=2, ~316=2...(8) HG2 MET 11 - HG2 GLU 131 lone 2 72 - 2 - HG3 GLU 28 - HG3 GLU 142 lone 1 66 - 1 - HG2 MET 11 - HG3 GLU 142 lone 0 41 - 1 - Peak 4458 from cnoeabs.peaks (2.27, 2.27, 36.81 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 131 + HG2 GLU 131 OK 100 100 - 100 HG3 GLU 142 + HG3 GLU 142 OK 66 66 - 100 Peak 4459 from cnoeabs.peaks (2.44, 2.27, 36.81 ppm; 2.71 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLU 131 + HG2 GLU 131 OK 100 100 - 100 - 1.8=100 HB3 GLU 131 + HG2 GLU 131 OK 69 77 - 89 - 2.9=80, 1.8/4444=16...(12) HG3 GLU 131 - HG3 GLU 142 OK 34 66 - 51 - 4465=11, 2.9/4444=5...(21) HB3 GLU 131 - HG3 GLU 142 OK 20 44 - 45 - 1.8/4444=8, 2.9/4465=5...(18) HB3 PRO 33 - HG2 GLU 131 OK 19 94 - 20 - 4445/2.9=2, 2.3/4456=1...(8) HG3 GLU 28 - HG2 GLU 131 poor 9 72 - 13 - ~330=3, ~323=2, ~316=2...(7) HB3 PRO 33 - HG3 GLU 142 lone 5 58 - 9 - HG2 MET 11 - HG2 GLU 131 lone 3 100 - 3 - HG2 MET 68 - HG2 GLU 131 lone 2 81 - 2 - HG2 MET 11 - HG3 GLU 142 lone 1 66 - 1 - HG2 MET 68 - HG3 GLU 142 lone 0 47 - 1 - HG3 GLU 28 - HG3 GLU 142 lone 0 41 - 1 - Peak 4460 from cnoeabs.peaks (7.73, 2.27, 36.81 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.97: HD21 ASN 128 + HG2 GLU 131 OK 86 92 - 93 - 4467/1.8=18, ~9510=17...(23) * H LEU 132 + HG2 GLU 131 OK 77 100 - 77 - 7662/2.9=24, 7659/5.0=22...(14) H LEU 132 - HG3 GLU 142 OK 30 66 - 45 - 3.6/4435=9, 7663=8...(8) H GLN 62 - HG2 GLU 131 OK 29 100 - 29 - 4467/1.8=6, 4446/2.9=5...(9) HD21 ASN 128 - HG3 GLU 142 OK 21 55 - 37 - 1.7/9511=6, 3.4/9519=6...(15) H SER 100 - HG2 GLU 131 OK 17 100 - 17 - 4467/1.8=4, 4453/2.9=3...(5) H GLN 62 - HG3 GLU 142 poor 8 65 - 13 - ~10508=2, ~10378=1, ~10507=1 H SER 100 - HG3 GLU 142 lone 3 66 - 4 - Peak 4461 from cnoeabs.peaks (8.18, 2.44, 36.81 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.91: * H GLU 131 + HG3 GLU 131 OK 84 100 - 84 - 5.0=34, 4440/2.9=19...(20) H GLU 142 + HG3 GLU 131 OK 45 92 - 50 - 4440/2.9=10, 7861/1.8=9...(14) Peak 4462 from cnoeabs.peaks (4.14, 2.44, 36.81 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.94: * HA GLU 131 + HG3 GLU 131 OK 92 100 - 92 - 4.2=65, 3.0/4461=19...(23) HA LEU 126 + HG3 GLU 131 OK 29 96 - 31 - 4462=10, 4455/1.8=6...(6) HA LYS 76 - HG3 GLU 131 OK 23 89 - 26 - 4462=7, 4455/1.8=4...(8) HA3 GLY 125 - HG3 GLU 131 lone 6 81 - 7 - 4462=2, 4448/2.9=1, 4441/2.9=1 Peak 4463 from cnoeabs.peaks (2.09, 2.44, 36.81 ppm; 3.43 A): 3 out of 12 assignments used, quality = 1.00: * HB2 GLU 131 + HG3 GLU 131 OK 100 100 - 100 - 2.9=100 HB3 GLU 142 + HG3 GLU 131 OK 61 85 - 72 - 4850/1.8=8, 3.0/4465=8...(33) HB2 PRO 129 + HG3 GLU 131 OK 52 85 - 61 - 2.3/4465=6, 4463=6...(36) HG3 PRO 33 - HG3 GLU 131 OK 37 100 - 37 - 4463=5, 1.8/468=4...(18) HG2 PRO 33 - HG3 GLU 131 OK 25 72 - 34 - 1.8/476=4, 4463=3...(16) HB3 LYS 61 - HG3 GLU 131 OK 17 72 - 24 - 4445=3, 4443/2.9=3...(10) HG2 GLU 122 - HG3 GLU 131 OK 10 89 - 12 - ~9556=2 HB2 LEU 26 - HG3 GLU 131 poor 9 68 - 14 - 3.2/10568=5, 4463=2 HG2 PRO 118 - HG3 GLU 131 lone 7 100 - 7 - HB VAL 53 - HG3 GLU 131 lone 6 81 - 8 - ~9558=1, ~10291=1 HB3 LYS 36 - HG3 GLU 131 lone 6 99 - 6 - HB3 GLN 25 - HG3 GLU 131 lone 4 89 - 4 - Peak 4464 from cnoeabs.peaks (2.45, 2.44, 36.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HG3 GLU 131 + HG3 GLU 131 OK 77 77 - 100 Reference assignment not found: HB3 GLU 131 - HG3 GLU 131 Peak 4465 from cnoeabs.peaks (2.27, 2.44, 36.81 ppm; 2.75 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 131 + HG3 GLU 131 OK 100 100 - 100 - 1.8=100 HG3 GLU 142 + HG3 GLU 131 OK 51 100 - 52 - 4465=9, 4444/2.9=5...(22) HG3 PRO 129 - HG3 GLU 131 OK 35 81 - 43 - 4465=6, 4444/2.9=4...(28) HB3 MET 113 - HG3 GLU 131 OK 13 100 - 13 - 4465=3, 4444/2.9=1...(4) HG2 GLU 90 - HG3 GLU 131 lone 7 100 - 7 - 4465=1 HG2 GLN 62 - HG3 GLU 131 lone 4 68 - 6 - HG3 GLU 75 - HG3 GLU 131 lone 2 62 - 4 - HG3 GLU 81 - HG3 GLU 131 lone 2 72 - 3 - Peak 4466 from cnoeabs.peaks (2.44, 2.44, 36.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 131 + HG3 GLU 131 OK 100 100 - 100 Peak 4467 from cnoeabs.peaks (7.73, 2.44, 36.81 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.96: HD21 ASN 128 + HG3 GLU 131 OK 83 92 - 90 - 1.7/9510=21, 9513=18...(25) * H LEU 132 + HG3 GLU 131 OK 75 100 - 75 - 7662/2.9=22, 7664=21...(15) H GLN 62 - HG3 GLU 131 OK 26 100 - 26 - 4446/2.9=5, 4453/2.9=4...(8) H SER 100 - HG3 GLU 131 OK 18 100 - 18 - 4453/2.9=2, 4446/2.9=2...(9) Peak 4468 from cnoeabs.peaks (7.73, 4.08, 57.69 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 132 + HA LEU 132 OK 100 100 - 100 - 2.8=100 H SER 100 - HA LEU 132 OK 42 100 - 43 - 9166/2.9=8, 4478/2.9=7...(12) H GLN 62 - HA LEU 132 OK 41 100 - 41 - 8337/4.0=7, 4486/2.9=7...(12) HD21 ASN 128 - HA LEU 132 OK 19 92 - 21 - ~7614=3, ~4345=3...(10) Peak 4469 from cnoeabs.peaks (4.08, 4.08, 57.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 132 + HA LEU 132 OK 100 100 - 100 Peak 4470 from cnoeabs.peaks (1.26, 4.08, 57.69 ppm; 3.75 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + HA LEU 132 OK 100 100 - 100 - 2.9=100 HG3 LYS 61 + HA LEU 132 OK 51 100 - 51 - 7666/2.8=6, 4488/2.9=6...(22) HG2 LYS 61 + HA LEU 132 OK 51 99 - 52 - 4488/2.9=6, 7666/2.8=6...(23) HB3 LEU 97 - HA LEU 132 OK 34 99 - 35 - 4488/2.9=4, 4504/3.8=3...(18) QG2 THR 99 - HA LEU 132 OK 34 100 - 34 - 10150/2.8=5, 4.0/4468=4...(16) QG2 THR 102 - HA LEU 132 lone 8 94 - 8 - Peak 4471 from cnoeabs.peaks (1.92, 4.08, 57.69 ppm; 3.24 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LEU 132 + HA LEU 132 OK 100 100 - 100 - 2.9=100 HB ILE 136 - HA LEU 132 OK 44 77 - 57 - 2.5/10292=10...(25) HB2 PRO 118 - HA LEU 132 OK 39 100 - 39 - 4.3/4476=5, 7680/3.6=5...(22) HB2 GLN 62 - HA LEU 132 OK 26 100 - 26 - 1756/2.8=4, 8347/4.0=4...(10) HG13 ILE 83 - HA LEU 132 OK 24 85 - 29 - 2.1/10031=7, 4505/3.8=2...(11) HG3 PRO 12 - HA LEU 132 OK 21 100 - 21 - 103/2.9=2, 4481/2.9=2...(5) HG2 PRO 12 - HA LEU 132 OK 20 100 - 20 - 4481/2.9=2, 4505/3.8=1...(6) HB2 LYS 86 - HA LEU 132 OK 17 92 - 19 - 2685/3.7=2, 4481/2.9=2...(7) HB2 MET 59 - HA LEU 132 OK 10 98 - 11 - ~7658=2, 7667/2.8=2 HB3 PRO 52 - HA LEU 132 poor 9 72 - 12 - 3.9/6498=2 HB2 ARG 89 - HA LEU 132 lone 8 89 - 9 - 4.4/7038=1, ~8949=1, ~8949=1 HB2 ARG 140 - HA LEU 132 lone 8 100 - 8 - HG2 PRO 52 - HA LEU 132 lone 6 68 - 8 - Peak 4472 from cnoeabs.peaks (1.38, 4.08, 57.69 ppm; 3.86 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 132 + HA LEU 132 OK 100 100 - 100 - 3.7=100 HB VAL 82 - HA LEU 132 OK 39 96 - 41 - ~8816=9, ~11009=7...(11) HB3 LEU 39 - HA LEU 132 OK 27 100 - 27 - 7681/3.6=4, 4514/4.0=4...(9) HG2 ARG 49 - HA LEU 132 OK 26 89 - 29 - 4490/2.9=3, 4499/3.8=3...(13) HB2 LEU 69 - HA LEU 132 OK 24 96 - 24 - 4514/4.0=4, 4506/3.8=4...(7) HG2 LYS 86 - HA LEU 132 OK 17 72 - 23 - 4490/2.9=3, 4482/2.9=3...(13) HB2 ARG 109 - HA LEU 132 OK 15 100 - 15 - 4514/4.0=2, 3.6/11039=2...(7) Peak 4473 from cnoeabs.peaks (0.40, 4.08, 57.69 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 132 + HA LEU 132 OK 100 100 - 100 - 3.8=100 HG3 LYS 123 + HA LEU 132 OK 56 96 - 58 - 4491/2.9=11, 9619/4.9=11...(10) Peak 4474 from cnoeabs.peaks (0.59, 4.08, 57.69 ppm; 3.09 A): 5 out of 5 assignments used, quality = 0.91: * QD1 LEU 132 + HA LEU 132 OK 76 100 - 76 - 4.0=47, 7670/2.8=10...(17) QG1 VAL 71 + HA LEU 132 OK 28 98 - 28 - 4492/2.9=4, 4484/2.9=4...(10) QG2 ILE 58 + HA LEU 132 OK 25 89 - 28 - 8294/2.8=6, 8273/2.9=4...(10) QD1 LEU 66 + HA LEU 132 OK 20 81 - 24 - 4508/3.8=4, 4500/3.7=4...(8) QD1 ILE 56 + HA LEU 132 OK 13 85 - 16 - 4484/2.9=2, 4492/2.9=2...(8) Peak 4475 from cnoeabs.peaks (8.04, 4.08, 57.69 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 133 + HA LEU 132 OK 100 100 - 100 - 3.6=100 H ILE 58 - HA LEU 132 OK 43 89 - 49 - 7671/2.8=11, 4493/2.9=10...(11) H ARG 144 - HA LEU 132 OK 10 72 - 14 - 4485/2.9=2, 4493/2.9=2...(6) Peak 4476 from cnoeabs.peaks (7.85, 4.08, 57.69 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.88: * H ALA 135 + HA LEU 132 OK 77 100 - 77 - 7728=22, 7729/3.6=18...(17) H TYR 119 + HA LEU 132 OK 45 100 - 45 - 2.8/11039=11, 7692/3.6=9...(11) H ARG 55 - HA LEU 132 lone 2 77 - 2 - H TRP 17 - HA LEU 132 lone 1 68 - 1 - Peak 4477 from cnoeabs.peaks (1.52, 4.08, 57.69 ppm; 3.11 A): 5 out of 9 assignments used, quality = 0.82: * QB ALA 135 + HA LEU 132 OK 63 100 - 63 - 4586=20, 9626/2.9=13...(13) HB2 LYS 123 + HA LEU 132 OK 21 94 - 22 - 3.0/4473=7, 4111/3.8=6...(6) HG3 LYS 76 + HA LEU 132 OK 18 99 - 18 - 10092/3.8=9, 10298/4.0=3 HB2 LEU 29 + HA LEU 132 OK 15 100 - 15 - 3.1/8060=3, ~10425=3...(4) HG2 LYS 93 + HA LEU 132 OK 13 99 - 13 - 10092/3.8=3, 2.9/3033=2...(5) HB2 GLU 122 - HA LEU 132 poor 9 68 - 14 - 11037/3.8=5, 10298/4.0=2...(4) HD2 LYS 76 - HA LEU 132 lone 9 92 - 10 - 9599/3.8=2, 3.0/9890=2 HG3 PRO 57 - HA LEU 132 lone 5 98 - 5 - 10421/4.0=2 HG3 LYS 85 - HA LEU 132 lone 5 100 - 5 - Peak 4478 from cnoeabs.peaks (7.73, 1.26, 40.13 ppm; 4.02 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.6=100 H SER 100 + HB2 LEU 132 OK 55 100 - 55 - 9166/1.8=11, 7177=8...(14) H GLN 62 + HB2 LEU 132 OK 54 100 - 54 - 4486/1.8=9, 8337/3.2=9...(15) HD21 ASN 128 - HB2 LEU 132 OK 17 92 - 18 - 4468/2.9=3, 7677/3.8=2...(8) Peak 4479 from cnoeabs.peaks (4.08, 1.26, 40.13 ppm; 4.43 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 2.9=100 HA VAL 53 + HB2 LEU 132 OK 58 100 - 58 - 4511/3.2=7, 4487/1.8=7...(21) HD3 PRO 118 + HB2 LEU 132 OK 49 77 - 64 - 7678/3.8=6, 4487/1.8=6...(34) HA GLU 90 - HB2 LEU 132 OK 40 100 - 40 - 4503/3.2=6, 4511/3.2=5...(18) HA LEU 26 - HB2 LEU 132 OK 38 96 - 39 - 10547/3.2=10, 4487/1.8=5...(13) HA LYS 34 - HB2 LEU 132 OK 24 100 - 24 - 10871/3.2=4, 4487/1.8=3...(8) Peak 4480 from cnoeabs.peaks (1.26, 1.26, 40.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 132 + HB2 LEU 132 OK 100 100 - 100 Peak 4481 from cnoeabs.peaks (1.92, 1.26, 40.13 ppm; 3.84 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 1.8=100 HB ILE 136 + HB2 LEU 132 OK 72 77 - 93 - 2.5/10340=15, ~9686=13...(47) HG13 ILE 83 + HB2 LEU 132 OK 57 85 - 67 - ~10018=15, ~9999=13...(25) HB2 PRO 118 + HB2 LEU 132 OK 54 100 - 55 - 7680/3.8=6, 4471/2.9=4...(33) HB2 LYS 86 - HB2 LEU 132 OK 40 92 - 44 - 4.0/8868=4, ~10301=3...(25) HG3 PRO 12 - HB2 LEU 132 OK 40 100 - 40 - 103/1.8=3, ~10423=2...(30) HB2 GLN 62 - HB2 LEU 132 OK 39 100 - 39 - 8347/3.2=6, 1756/3.6=5...(16) HG2 PRO 12 - HB2 LEU 132 OK 38 100 - 38 - ~103=2, ~10423=2...(26) HB2 MET 59 - HB2 LEU 132 OK 17 98 - 17 - 4.2/10405=2, 7667/3.6=2...(9) HB3 PRO 52 - HB2 LEU 132 OK 15 72 - 21 - 2.3/3293=1, ~9577=1...(4) HG2 PRO 52 - HB2 LEU 132 OK 13 68 - 19 - ~9577=1, ~9577=1 HB2 ARG 140 - HB2 LEU 132 OK 12 100 - 12 - HB2 ARG 89 - HB2 LEU 132 OK 12 89 - 13 - 3.0/8949=4 Peak 4482 from cnoeabs.peaks (1.38, 1.26, 40.13 ppm; 4.18 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.0=100 HB VAL 82 + HB2 LEU 132 OK 59 96 - 61 - 3.0/8816=17...(16) HB3 LEU 39 + HB2 LEU 132 OK 46 100 - 46 - 4514/3.2=5, 4490/1.8=5...(20) HB2 LEU 69 - HB2 LEU 132 OK 45 96 - 47 - ~8474=6, 4514/3.2=6...(19) HG2 ARG 49 - HB2 LEU 132 OK 43 89 - 48 - 4490/1.8=5, 4499/3.2=4...(26) HG2 LYS 86 - HB2 LEU 132 OK 32 72 - 45 - 4490/1.8=4, 4.9/8868=4...(27) HB2 ARG 109 - HB2 LEU 132 OK 24 100 - 24 - 4514/3.2=3, 4490/1.8=3...(11) Peak 4483 from cnoeabs.peaks (0.40, 1.26, 40.13 ppm; 3.80 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.2=100 HG3 LYS 123 + HB2 LEU 132 OK 62 96 - 64 - 4491/1.8=14, 4515/3.2=11...(17) Peak 4484 from cnoeabs.peaks (0.59, 1.26, 40.13 ppm; 3.97 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.2=100 QG1 VAL 71 + HB2 LEU 132 OK 53 98 - 54 - 4492/1.8=9, 4500/3.0=7...(18) QD1 LEU 66 - HB2 LEU 132 OK 42 81 - 52 - 4492/1.8=8, 4508/3.2=7...(19) QG2 ILE 58 - HB2 LEU 132 OK 42 89 - 48 - 8273/1.8=8, 8294/3.6=8...(15) QD1 ILE 56 - HB2 LEU 132 OK 30 85 - 36 - 3.1/9593=4, 4492/1.8=4...(15) Peak 4485 from cnoeabs.peaks (8.04, 1.26, 40.13 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 133 + HB2 LEU 132 OK 100 100 - 100 - 3.8=100 H ILE 58 - HB2 LEU 132 OK 44 89 - 50 - 4493/1.8=12, 4509/3.2=10...(8) H ARG 144 - HB2 LEU 132 OK 10 72 - 13 - 4493/1.8=3, 4475/2.9=2...(6) Peak 4486 from cnoeabs.peaks (7.73, 1.92, 40.13 ppm; 3.91 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.6=100 H GLN 62 + HB3 LEU 132 OK 53 100 - 53 - 6586=9, 8337/3.2=9...(16) H SER 100 + HB3 LEU 132 OK 52 100 - 52 - 9166=13, 4478/1.8=9...(11) HD21 ASN 128 - HB3 LEU 132 OK 13 92 - 14 - 4468/2.9=3, 4478/1.8=3...(6) Peak 4487 from cnoeabs.peaks (4.08, 1.92, 40.13 ppm; 4.49 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 2.9=100 HA VAL 53 + HB3 LEU 132 OK 58 100 - 59 - 4479/1.8=7, 4511/3.2=7...(20) HD3 PRO 118 + HB3 LEU 132 OK 50 77 - 66 - 7678/3.8=6, 4479/1.8=6...(34) HA GLU 90 - HB3 LEU 132 OK 39 100 - 39 - 4503/3.2=6, 4511/3.2=6...(15) HA LEU 26 - HB3 LEU 132 OK 37 96 - 39 - 10547/3.2=10, 4479/1.8=5...(13) HA LYS 34 - HB3 LEU 132 OK 26 100 - 26 - 10871/3.2=4, 4479/1.8=3...(8) Peak 4488 from cnoeabs.peaks (1.26, 1.92, 40.13 ppm; 3.77 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 1.8=100 HG3 LYS 61 + HB3 LEU 132 OK 64 100 - 65 - 4512/3.2=6, 4504/3.2=6...(27) HG2 LYS 61 + HB3 LEU 132 OK 64 99 - 65 - 4512/3.2=6, 4504/3.2=6...(26) HB3 LEU 97 - HB3 LEU 132 OK 44 99 - 44 - 4512/3.2=4, 4504/3.2=4...(22) QG2 THR 99 - HB3 LEU 132 OK 35 100 - 35 - 4.0/9166=6, 10150/3.6=5...(11) QG2 THR 102 - HB3 LEU 132 lone 9 94 - 10 - ~3376=1 Peak 4489 from cnoeabs.peaks (1.92, 1.92, 40.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 132 + HB3 LEU 132 OK 100 100 - 100 Peak 4490 from cnoeabs.peaks (1.38, 1.92, 40.13 ppm; 3.98 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.0=100 HB VAL 82 + HB3 LEU 132 OK 55 96 - 57 - ~8816=14, ~11009=11...(17) HB3 LEU 39 - HB3 LEU 132 OK 42 100 - 43 - 4482/1.8=5, 4514/3.2=5...(18) HB2 LEU 69 - HB3 LEU 132 OK 41 96 - 42 - ~8474=5, 4514/3.2=5...(19) HG2 ARG 49 - HB3 LEU 132 OK 39 89 - 44 - 4482/1.8=4, 4499/3.2=4...(24) HG2 LYS 86 - HB3 LEU 132 OK 33 72 - 45 - 1.8/2716=4, 4482/1.8=4...(27) HB2 ARG 109 - HB3 LEU 132 OK 21 100 - 21 - 4514/3.2=3, 4482/1.8=2...(9) Peak 4491 from cnoeabs.peaks (0.40, 1.92, 40.13 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.2=100 HG3 LYS 123 + HB3 LEU 132 OK 59 96 - 62 - 4483/1.8=13, 4515/3.2=11...(16) Peak 4492 from cnoeabs.peaks (0.59, 1.92, 40.13 ppm; 4.06 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.2=100 QG1 VAL 71 + HB3 LEU 132 OK 55 98 - 56 - 4484/1.8=9, 4500/3.0=8...(18) QG2 ILE 58 + HB3 LEU 132 OK 48 89 - 54 - 8273=10, 8294/3.6=8...(17) QD1 LEU 66 - HB3 LEU 132 OK 42 81 - 52 - 4484/1.8=8, 4508/3.2=8...(14) QD1 ILE 56 - HB3 LEU 132 OK 31 85 - 36 - 4484/1.8=4, 4508/3.2=4...(15) Peak 4493 from cnoeabs.peaks (8.04, 1.92, 40.13 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 133 + HB3 LEU 132 OK 100 100 - 100 - 3.8=100 H ILE 58 - HB3 LEU 132 OK 41 89 - 47 - 4485/1.8=10, 4509/3.2=8...(9) H ARG 144 - HB3 LEU 132 poor 9 72 - 12 - 4485/1.8=2, 4475/2.9=2...(6) Peak 4494 from cnoeabs.peaks (7.73, 1.38, 26.96 ppm; 4.67 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 132 + HG LEU 132 OK 99 100 - 99 - 4.8=91, 7669/2.1=34...(16) H GLN 62 + HG LEU 132 OK 54 100 - 54 - 8337/2.1=14, 4502/2.1=10...(12) H SER 100 + HG LEU 132 OK 54 100 - 54 - 9166/3.0=12, 4502/2.1=10...(10) H LEU 132 - HG2 ARG 49 OK 18 57 - 32 - 7668=5, 2.8/4472=4...(10) HD21 ASN 128 - HG LEU 132 OK 17 92 - 18 - 4502/2.1=3, 4468/3.7=3...(6) H GLN 62 - HG2 ARG 49 poor 6 56 - 11 - ~6563=2, 6578/3.0=1, ~6566=1 H SER 100 - HG2 ARG 49 lone 3 57 - 6 - HD21 ASN 128 - HG2 ARG 49 lone 3 47 - 6 - ~10665=2 Peak 4495 from cnoeabs.peaks (4.08, 1.38, 26.96 ppm; 4.85 A): 3 out of 12 assignments used, quality = 1.00: * HA LEU 132 + HG LEU 132 OK 100 100 - 100 - 3.7=100 HA VAL 53 + HG LEU 132 OK 54 100 - 55 - 4511/2.1=9, 4503/2.1=8...(14) HD3 PRO 118 + HG LEU 132 OK 46 77 - 60 - 4503/2.1=6, 4511/2.1=6...(23) HA LEU 26 - HG LEU 132 OK 41 96 - 42 - 10547/2.1=14, ~10868=6...(11) HA GLU 90 - HG LEU 132 OK 37 100 - 37 - 4503/2.1=7, 4511/2.1=7...(12) HA LEU 132 - HG2 ARG 49 OK 25 57 - 44 - 4472=5, 2.9/4490=5...(15) HA LYS 34 - HG LEU 132 OK 23 100 - 23 - 10871/2.1=5, 4503/2.1=4...(7) HA LEU 26 - HG2 ARG 49 OK 12 51 - 24 - 237/3.0=2, ~1280=2...(12) HD3 PRO 118 - HG2 ARG 49 poor 8 37 - 21 - ~10983=8, ~11552=5...(4) HA LYS 34 - HG2 ARG 49 poor 7 55 - 13 - 8090/11169=2...(3) HA VAL 53 - HG2 ARG 49 lone 3 55 - 5 - HA GLU 90 - HG2 ARG 49 lone 2 57 - 4 - Peak 4496 from cnoeabs.peaks (1.26, 1.38, 26.96 ppm; 3.69 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 132 + HG LEU 132 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HG LEU 132 OK 61 99 - 62 - 4512/2.1=8, 4504/2.1=7...(24) HG3 LYS 61 + HG LEU 132 OK 61 100 - 61 - 4512/2.1=8, 4504/2.1=7...(24) HB3 LEU 97 - HG LEU 132 OK 39 99 - 39 - 4512/2.1=5, 4504/2.1=5...(17) QG2 THR 99 - HG LEU 132 OK 30 100 - 30 - 4504/2.1=5, 4512/2.1=4...(11) HB2 LEU 132 - HG2 ARG 49 OK 24 57 - 41 - 4482=4, 1.8/4490=4...(22) HB3 LEU 97 - HG2 ARG 49 OK 22 54 - 41 - 4.8/8195=7, ~11586=4...(21) HG3 LYS 61 - HG2 ARG 49 poor 8 56 - 14 - ~1262=1 HG2 LYS 61 - HG2 ARG 49 poor 8 54 - 15 - ~1262=1 QG2 THR 102 - HG LEU 132 lone 7 94 - 8 - 4512/2.1=1, 4504/2.1=1 QG2 THR 99 - HG2 ARG 49 lone 5 56 - 9 - QG2 THR 102 - HG2 ARG 49 lone 1 49 - 1 - Peak 4497 from cnoeabs.peaks (1.92, 1.38, 26.96 ppm; 3.95 A): 4 out of 26 assignments used, quality = 1.00: * HB3 LEU 132 + HG LEU 132 OK 100 100 - 100 - 3.0=100 HB ILE 136 + HG LEU 132 OK 74 77 - 96 - ~9686=21, ~9686=17...(44) HG13 ILE 83 + HG LEU 132 OK 65 85 - 76 - ~10018=22, ~9999=19...(25) HB2 PRO 118 + HG LEU 132 OK 50 100 - 50 - 7680/4.9=5, 4513/2.1=4...(27) HB2 LYS 86 - HG LEU 132 OK 40 92 - 43 - ~10301=4, ~10424=4...(25) HG3 PRO 12 - HG LEU 132 OK 38 100 - 38 - ~10423=3, 103/3.0=3...(17) HB2 GLN 62 - HG LEU 132 OK 38 100 - 38 - 8347/2.1=8, ~8346=5...(14) HG2 PRO 12 - HG LEU 132 OK 36 100 - 36 - ~10423=3, 4513/2.1=3...(17) HB2 LYS 86 - HG2 ARG 49 OK 28 47 - 60 - 2685=7, 2.9/2718=6...(28) HB3 LEU 132 - HG2 ARG 49 OK 26 57 - 46 - 4490=6, 1.8/4482=4...(25) HB2 ARG 140 - HG2 ARG 49 OK 19 55 - 35 - 4718/3.0=3, 11511/3.0=3...(22) HG13 ILE 83 - HG2 ARG 49 OK 18 42 - 42 - 11136/3.0=10, ~10003=4...(17) HB2 MET 59 - HG LEU 132 OK 16 98 - 16 - ~10423=2, 4513/2.1=2...(7) HB3 PRO 52 - HG LEU 132 OK 15 72 - 20 - ~9577=2, ~9577=2...(5) HG2 PRO 52 - HG LEU 132 OK 13 68 - 19 - ~9577=2, ~9577=2...(6) HB2 ARG 140 - HG LEU 132 OK 12 100 - 12 - 4513/2.1=1, 4505/2.1=1 HB2 ARG 89 - HG LEU 132 OK 12 89 - 13 - ~8949=2, ~8949=2 HB ILE 136 - HG2 ARG 49 poor 10 37 - 27 - ~9669=6, ~9669=6...(9) HB2 PRO 118 - HG2 ARG 49 poor 10 55 - 17 - ~10983=5, 11511/3.0=3...(4) HB2 GLN 62 - HG2 ARG 49 lone 4 56 - 7 - HB2 MET 59 - HG2 ARG 49 lone 4 53 - 7 - ~10576=2 HG3 PRO 12 - HG2 ARG 49 lone 3 56 - 6 - HG2 PRO 12 - HG2 ARG 49 lone 3 56 - 5 - HB2 ARG 89 - HG2 ARG 49 lone 1 45 - 3 - HB3 PRO 52 - HG2 ARG 49 lone 1 34 - 2 - HG2 PRO 52 - HG2 ARG 49 lone 1 31 - 2 - Peak 4498 from cnoeabs.peaks (1.38, 1.38, 26.96 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG LEU 132 + HG LEU 132 OK 100 100 - 100 HG2 ARG 49 - HG2 ARG 49 OK 45 45 - 100 Peak 4499 from cnoeabs.peaks (0.40, 1.38, 26.96 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 132 + HG LEU 132 OK 100 100 - 100 - 2.1=100 HG3 LYS 123 + HG LEU 132 OK 57 96 - 59 - 4515/2.1=13, 4491/3.0=9...(16) QD2 LEU 132 - HG2 ARG 49 OK 22 57 - 40 - 4506=5, 2.1/4514=4...(22) HG3 LYS 123 - HG2 ARG 49 lone 2 51 - 4 - Peak 4500 from cnoeabs.peaks (0.59, 1.38, 26.96 ppm; 3.33 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 132 + HG LEU 132 OK 100 100 - 100 - 2.1=100 QG1 VAL 71 - HG LEU 132 OK 43 98 - 44 - 4508/2.1=7, 4492/3.0=5...(16) QD1 LEU 66 - HG LEU 132 OK 36 81 - 44 - 4508/2.1=8, ~1919=5...(16) QG2 ILE 58 - HG LEU 132 OK 30 89 - 34 - 4508/2.1=5, 8273/3.0=4...(12) QD1 ILE 56 - HG LEU 132 OK 23 85 - 27 - 4508/2.1=4, ~1456=3...(13) QD1 LEU 132 - HG2 ARG 49 OK 21 57 - 37 - 4514=5, 2.1/4499=4...(22) QG2 ILE 58 - HG2 ARG 49 OK 11 45 - 24 - ~10418=5, 9863/1.8=4...(9) QG1 VAL 71 - HG2 ARG 49 lone 3 53 - 5 - 9907/3.9=1 QD1 LEU 66 - HG2 ARG 49 lone 2 39 - 5 - QD1 ILE 56 - HG2 ARG 49 lone 1 42 - 2 - Peak 4501 from cnoeabs.peaks (8.04, 1.38, 26.96 ppm; 4.48 A): 1 out of 6 assignments used, quality = 0.96: * H GLN 133 + HG LEU 132 OK 96 100 - 96 - 4.9=76, 7682/2.1=27...(18) H ILE 58 - HG LEU 132 OK 43 89 - 49 - 4509/2.1=12...(8) H GLN 133 - HG2 ARG 49 OK 15 57 - 27 - 7681=5, 3.8/4490=4...(9) H ARG 144 - HG LEU 132 OK 10 72 - 14 - 10412/2.1=3, 4509/2.1=3...(6) H ILE 58 - HG2 ARG 49 poor 10 45 - 22 - ~10418=11, ~1547=2...(7) H ARG 144 - HG2 ARG 49 poor 8 34 - 24 - 8200/3.9=3, ~4879=3...(12) Peak 4502 from cnoeabs.peaks (7.73, 0.40, 25.33 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 132 + QD2 LEU 132 OK 95 100 - 95 - 4.4=70, 7670/2.1=18...(15) H SER 100 + QD2 LEU 132 OK 47 100 - 47 - 9166/3.2=8, 4510/2.1=7...(13) H GLN 62 + QD2 LEU 132 OK 47 100 - 47 - 8337/2.1=11, 4486/3.2=7...(14) HD21 ASN 128 - QD2 LEU 132 OK 15 92 - 16 - 10373/10410=2...(8) Peak 4503 from cnoeabs.peaks (4.08, 0.40, 25.33 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 3.8=100 HA VAL 53 + QD2 LEU 132 OK 45 100 - 45 - 3.2/9596=8, 4511/2.1=7...(15) HA GLU 90 - QD2 LEU 132 OK 39 100 - 39 - 4511/2.1=6, 3.8/9576=5...(16) HD3 PRO 118 - QD2 LEU 132 OK 36 77 - 46 - 4511/2.1=5, 1.8/9572=4...(23) HA LEU 26 - QD2 LEU 132 OK 31 96 - 32 - 10871/2.1=8...(11) HA LYS 34 - QD2 LEU 132 OK 21 100 - 21 - 10871/2.1=4...(9) Peak 4504 from cnoeabs.peaks (1.26, 0.40, 25.33 ppm; 3.33 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 3.2=100 HG3 LYS 61 + QD2 LEU 132 OK 53 100 - 53 - 4512/2.1=7, ~8331=5...(23) HG2 LYS 61 + QD2 LEU 132 OK 52 99 - 53 - 4512/2.1=7, ~8331=5...(22) QG2 THR 99 - QD2 LEU 132 OK 34 100 - 35 - 4.0/4502=4, 4512/2.1=4...(15) HB3 LEU 97 - QD2 LEU 132 OK 34 99 - 34 - 4512/2.1=4, 4496/2.1=3...(15) QG2 THR 102 - QD2 LEU 132 lone 7 94 - 7 - Peak 4505 from cnoeabs.peaks (1.92, 0.40, 25.33 ppm; 3.38 A): 3 out of 13 assignments used, quality = 1.00: * HB3 LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 3.2=100 HB ILE 136 + QD2 LEU 132 OK 69 77 - 89 - 2.5/9686=29, 2.1/9596=10...(40) HG13 ILE 83 + QD2 LEU 132 OK 50 85 - 59 - 2.1/10018=27, ~10004=7...(19) HB2 PRO 118 - QD2 LEU 132 OK 42 100 - 43 - 4.3/10409=4, 7680/4.7=3...(27) HB2 GLN 62 - QD2 LEU 132 OK 35 100 - 35 - 8347/2.1=5, 4.0/4502=4...(13) HB2 LYS 86 - QD2 LEU 132 OK 32 92 - 35 - 1.8/10301=5, 2685/2.1=3...(14) HG3 PRO 12 - QD2 LEU 132 OK 30 100 - 30 - ~10423=2, 4513/2.1=2...(11) HG2 PRO 12 - QD2 LEU 132 OK 28 100 - 28 - ~10423=2, 4513/2.1=2...(9) HB2 MET 59 - QD2 LEU 132 OK 14 98 - 15 - ~10423=2, 4.2/9577=1...(4) HB3 PRO 52 - QD2 LEU 132 OK 11 72 - 16 - 2.3/9577=2 HB2 ARG 140 - QD2 LEU 132 OK 11 100 - 11 - 4637/9686=1 HG2 PRO 52 - QD2 LEU 132 poor 10 68 - 14 - 1.8/9577=3 HB2 ARG 89 - QD2 LEU 132 poor 9 89 - 10 - ~8949=1, ~8949=1 Peak 4506 from cnoeabs.peaks (1.38, 0.40, 25.33 ppm; 2.97 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 2.1=100 HB VAL 82 - QD2 LEU 132 OK 36 96 - 37 - 4514/2.1=4, ~8816=4...(18) HB2 LEU 69 - QD2 LEU 132 OK 30 96 - 31 - 4514/2.1=4, ~8474=4...(15) HB3 LEU 39 - QD2 LEU 132 OK 30 100 - 30 - 4514/2.1=4, ~10423=2...(16) HG2 ARG 49 - QD2 LEU 132 OK 26 89 - 30 - 4499=4, 4514/2.1=3...(10) HG2 LYS 86 - QD2 LEU 132 OK 18 72 - 25 - 2.9/10301=3, 4514/2.1=2...(7) HB2 ARG 109 - QD2 LEU 132 OK 16 100 - 16 - 4514/2.1=2, 11557/8738=1...(4) Peak 4507 from cnoeabs.peaks (0.40, 0.40, 25.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + QD2 LEU 132 OK 100 100 - 100 Peak 4508 from cnoeabs.peaks (0.59, 0.40, 25.33 ppm; 2.59 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 2.1=100 QG1 VAL 71 - QD2 LEU 132 OK 30 98 - 31 - 4500/2.1=4, 9685/9686=3...(16) QD1 LEU 66 - QD2 LEU 132 OK 27 81 - 34 - 4500/2.1=4, ~1919=3...(16) QG2 ILE 58 - QD2 LEU 132 OK 24 89 - 27 - 10024/10018=6...(11) QD1 ILE 56 - QD2 LEU 132 OK 17 85 - 20 - 3.2/9577=2, 4500/2.1=2...(9) Peak 4509 from cnoeabs.peaks (8.04, 0.40, 25.33 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.97: * H GLN 133 + QD2 LEU 132 OK 94 100 - 94 - 4.7=66, 7671/4.4=19...(24) H ILE 58 + QD2 LEU 132 OK 41 89 - 47 - 10412/2.1=8, 4493/3.2=8...(10) H ARG 144 - QD2 LEU 132 poor 9 72 - 12 - 10412/2.1=2, 4501/2.1=2...(6) Peak 4510 from cnoeabs.peaks (7.73, 0.59, 23.59 ppm; 4.04 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 132 + QD1 LEU 132 OK 99 100 - 99 - 4.1=97, 7669/2.1=30...(14) H GLN 62 + QD1 LEU 132 OK 64 100 - 64 - 8337=10, 4502/2.1=9...(20) H SER 100 + QD1 LEU 132 OK 47 100 - 47 - 9166/3.2=9, 4502/2.1=9...(11) HD21 ASN 128 - QD1 LEU 132 OK 15 92 - 16 - 4502/2.1=3, 4468/4.0=2...(6) Peak 4511 from cnoeabs.peaks (4.08, 0.59, 23.59 ppm; 3.04 A): 6 out of 6 assignments used, quality = 0.94: * HA LEU 132 + QD1 LEU 132 OK 74 100 - 74 - 4.0=45, 2.8/7670=10...(17) HA VAL 53 + QD1 LEU 132 OK 34 100 - 34 - 4511=7, 3.2/9600=6...(12) HA LEU 26 + QD1 LEU 132 OK 28 96 - 29 - 10871=6, 4.0/10577=4...(13) HA GLU 90 + QD1 LEU 132 OK 26 100 - 26 - 4511=5, 4503/2.1=4...(11) HD3 PRO 118 + QD1 LEU 132 OK 24 77 - 32 - 4503/2.1=3, 4.6/10415=3...(13) HA LYS 34 + QD1 LEU 132 OK 16 100 - 16 - 4511=3, 4503/2.1=2...(6) Peak 4512 from cnoeabs.peaks (1.26, 0.59, 23.59 ppm; 3.31 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 3.2=100 HG3 LYS 61 + QD1 LEU 132 OK 61 100 - 61 - 4512=8, 3.0/8331=7...(25) HG2 LYS 61 + QD1 LEU 132 OK 60 99 - 60 - 3.0/8331=7, 1.8/4512=7...(25) HB3 LEU 97 - QD1 LEU 132 OK 37 99 - 38 - 4512=5, 4504/2.1=4...(14) QG2 THR 99 - QD1 LEU 132 OK 32 100 - 32 - 4512=4, 4504/2.1=4...(12) QG2 THR 102 - QD1 LEU 132 lone 8 94 - 8 - 4512=1 Peak 4513 from cnoeabs.peaks (1.92, 0.59, 23.59 ppm; 3.50 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 3.2=100 HB ILE 136 + QD1 LEU 132 OK 69 77 - 90 - ~9686=16, 2.5/9685=15...(38) HG13 ILE 83 + QD1 LEU 132 OK 57 85 - 67 - ~10018=17, ~9999=15...(20) HB2 PRO 118 + QD1 LEU 132 OK 49 100 - 49 - 4.3/10411=6, 4513=5...(27) HB2 GLN 62 - QD1 LEU 132 OK 36 100 - 36 - 8347=5, 4.0/4510=5...(15) HG3 PRO 12 - QD1 LEU 132 OK 35 100 - 35 - 2.3/10423=4, 4505/2.1=2...(14) HB2 LYS 86 - QD1 LEU 132 OK 34 92 - 37 - ~10301=3, 2685/2.1=3...(16) HG2 PRO 12 - QD1 LEU 132 OK 34 100 - 34 - 2.3/10423=4, 4513=3...(13) HB2 MET 59 - QD1 LEU 132 OK 19 98 - 19 - 4.8/8320=3, 3.9/6538=3...(5) HB3 PRO 52 - QD1 LEU 132 OK 14 72 - 19 - 4513=1, ~9577=1...(5) HB2 ARG 140 - QD1 LEU 132 OK 13 100 - 13 - 2.9/10422=1 HG2 PRO 52 - QD1 LEU 132 OK 12 68 - 18 - ~9577=2, ~9577=1...(5) HB2 ARG 89 - QD1 LEU 132 OK 11 89 - 13 - ~8949=1, ~8949=1 Peak 4514 from cnoeabs.peaks (1.38, 0.59, 23.59 ppm; 3.02 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 2.1=100 HB2 LEU 69 - QD1 LEU 132 OK 36 96 - 38 - 3.2/8474=7, 4514=6...(17) HB VAL 82 - QD1 LEU 132 OK 36 96 - 38 - 4506/2.1=4, ~8816=4...(16) HB3 LEU 39 - QD1 LEU 132 OK 35 100 - 35 - 4514=6, 4506/2.1=4...(15) HG2 ARG 49 - QD1 LEU 132 OK 27 89 - 30 - 4506/2.1=3, 4500=3...(14) HG2 LYS 86 - QD1 LEU 132 OK 20 72 - 27 - 4514=3, 4506/2.1=2...(9) HB2 ARG 109 - QD1 LEU 132 OK 19 100 - 19 - 3.6/9581=2, 4514=2...(5) Peak 4515 from cnoeabs.peaks (0.40, 0.59, 23.59 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 2.1=100 HG3 LYS 123 - QD1 LEU 132 OK 43 96 - 45 - 4499/2.1=6, 4491/3.2=5...(19) Peak 4516 from cnoeabs.peaks (0.59, 0.59, 23.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 132 + QD1 LEU 132 OK 100 100 - 100 Peak 4518 from cnoeabs.peaks (8.04, 3.83, 58.15 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 133 + HA GLN 133 OK 100 100 - 100 - 2.8=100 H ILE 58 - HA GLN 133 OK 11 89 - 12 - 4475/4.9=3, 7714/3.6=2 H ARG 144 - HA GLN 133 lone 2 72 - 3 - Peak 4519 from cnoeabs.peaks (3.83, 3.83, 58.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 133 + HA GLN 133 OK 100 100 - 100 Peak 4520 from cnoeabs.peaks (2.14, 3.83, 58.15 ppm; 2.99 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLN 133 + HA GLN 133 OK 99 100 - 99 - 3.0=97, 4530/2.8=11...(16) HB3 GLN 133 + HA GLN 133 OK 99 100 - 99 - 3.0=97, 4540/2.8=11...(16) HG3 PRO 118 + HA GLN 133 OK 57 96 - 59 - 2.3/4528=6, 3977=6...(31) HG LEU 29 - HA GLN 133 OK 24 68 - 35 - 2.1/9616=8, 3.0/9614=5...(16) HG2 GLU 81 - HA GLN 133 lone 7 100 - 7 - HG2 GLN 111 - HA GLN 133 lone 3 68 - 4 - Peak 4521 from cnoeabs.peaks (2.14, 3.83, 58.15 ppm; 2.99 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLN 133 + HA GLN 133 OK 99 100 - 99 - 3.0=97, 4540/2.8=11...(16) HB2 GLN 133 + HA GLN 133 OK 99 100 - 99 - 3.0=97, 4530/2.8=11...(16) HG3 PRO 118 + HA GLN 133 OK 55 94 - 59 - 2.3/4528=6, 3977=6...(30) HG LEU 29 - HA GLN 133 OK 26 72 - 35 - 2.1/9616=8, 3.0/9614=5...(16) HG2 GLU 81 - HA GLN 133 lone 7 99 - 7 - HG2 GLN 111 - HA GLN 133 lone 2 62 - 4 - Peak 4522 from cnoeabs.peaks (2.42, 3.83, 58.15 ppm; 3.23 A): 3 out of 8 assignments used, quality = 0.99: * HG2 GLN 133 + HA GLN 133 OK 88 100 - 88 - 4.0=53, 3.5/4525=14...(29) HG3 GLN 133 + HA GLN 133 OK 88 100 - 88 - 4.0=53, 3.5/4525=14...(29) HB3 PRO 118 + HA GLN 133 OK 62 100 - 63 - 1.8/4528=8, 2.3/3977=7...(30) HG3 GLN 47 - HA GLN 133 OK 31 99 - 31 - 4550=3, 4549/2.8=3...(10) HG2 GLN 47 - HA GLN 133 OK 31 99 - 31 - 4550=3, 4549/2.8=3...(10) HG2 MET 68 - HA GLN 133 OK 16 89 - 18 - 2.9/9613=3, 4.4/6663=2...(5) QE MET 46 - HA GLN 133 lone 8 99 - 9 - 10694/4.9=1 HB3 PRO 33 - HA GLN 133 lone 3 72 - 4 - Peak 4523 from cnoeabs.peaks (2.42, 3.83, 58.15 ppm; 3.23 A): 3 out of 8 assignments used, quality = 0.99: HG2 GLN 133 + HA GLN 133 OK 88 100 - 88 - 4.0=53, 3.5/4525=14...(29) * HG3 GLN 133 + HA GLN 133 OK 88 100 - 88 - 4.0=53, 3.5/4525=14...(29) HB3 PRO 118 + HA GLN 133 OK 63 100 - 63 - 1.8/4528=8, 2.3/3977=7...(30) HG3 GLN 47 - HA GLN 133 OK 30 98 - 31 - 4550=3, 4549/2.8=3...(10) HG2 GLN 47 - HA GLN 133 OK 30 98 - 31 - 4550=3, 4549/2.8=3...(10) HG2 MET 68 - HA GLN 133 OK 15 85 - 18 - 2.9/9613=3, 4.4/6663=2...(5) QE MET 46 - HA GLN 133 lone 9 100 - 9 - 10694/4.9=1 HB3 PRO 33 - HA GLN 133 lone 3 68 - 4 - Peak 4524 from cnoeabs.peaks (6.81, 3.83, 58.15 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 133 + HA GLN 133 OK 100 100 - 100 - 5.3=100 QD PHE 67 - HA GLN 133 OK 15 72 - 21 - 4.8/6663=6, 4.3/6647=4...(5) HD21 ASN 96 - HA GLN 133 lone 5 99 - 5 - Peak 4525 from cnoeabs.peaks (7.79, 3.83, 58.15 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.89: * HE22 GLN 133 + HA GLN 133 OK 89 100 - 89 - 5.3=62, 1.7/7695=18...(11) Peak 4526 from cnoeabs.peaks (7.69, 3.83, 58.15 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 134 + HA GLN 133 OK 100 100 - 100 - 3.6=100 H PHE 106 - HA GLN 133 OK 30 99 - 31 - 7234=6, 7691/2.8=5...(11) H GLU 28 - HA GLN 133 OK 14 98 - 14 - 4.7/10849=4, 7691/2.8=3...(5) Peak 4527 from cnoeabs.peaks (8.22, 3.83, 58.15 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.93: * H ILE 136 + HA GLN 133 OK 85 100 - 85 - 3.4/9601=24, 7740=17...(21) H ARG 124 + HA GLN 133 OK 35 99 - 36 - 4.8/9619=13, 7725/3.6=4...(12) H THR 74 + HA GLN 133 OK 25 98 - 26 - 4.4/9618=4, 10436/5.3=3...(11) H GLY 125 - HA GLN 133 lone 7 77 - 9 - 7725/3.6=2 H MET 11 - HA GLN 133 lone 4 89 - 5 - Peak 4528 from cnoeabs.peaks (1.91, 3.83, 58.15 ppm; 3.51 A): 3 out of 16 assignments used, quality = 0.94: * HB ILE 136 + HA GLN 133 OK 68 100 - 68 - 2.5/9618=16, 4.6/9601=14...(13) HB2 PRO 118 + HA GLN 133 OK 66 89 - 74 - 4528=9, 2.3/3977=8...(41) HB3 LEU 132 + HA GLN 133 OK 43 77 - 56 - 3.2/9619=10, 3.2/9620=9...(13) QE MET 68 - HA GLN 133 OK 29 98 - 29 - 1992=4, 4.2/9613=2...(12) HB ILE 101 - HA GLN 133 OK 24 81 - 30 - 2.1/9169=5, 3.0/9614=4...(9) HB3 LEU 69 - HA GLN 133 OK 20 94 - 21 - 1.8/10311=3, 3.2/8462=2...(7) HG13 ILE 83 - HA GLN 133 OK 14 100 - 14 - 4528=2, 4471/4.9=1 HB2 MET 59 - HA GLN 133 OK 10 94 - 11 - 4.2/10564=2, ~7674=1 HB2 LYS 86 - HA GLN 133 lone 8 99 - 8 - HB3 ARG 89 - HA GLN 133 lone 6 77 - 8 - 1.8/4528=1 HG3 PRO 12 - HA GLN 133 lone 6 81 - 7 - HG2 PRO 12 - HA GLN 133 lone 6 68 - 8 - 4528=1 HB2 ARG 140 - HA GLN 133 lone 5 62 - 9 - 2.9/9613=1 HB3 GLN 111 - HA GLN 133 lone 5 68 - 7 - HB2 GLN 62 - HA GLN 133 lone 4 68 - 5 - 7680/2.8=1 HB2 LYS 24 - HA GLN 133 lone 4 77 - 5 - Peak 4529 from cnoeabs.peaks (4.57, 2.14, 27.86 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.85: * HA ASN 130 + HB2 GLN 133 OK 62 100 - 62 - 4416=22, 4416/1.8=17...(9) HA ASN 130 + HB3 GLN 133 OK 62 100 - 62 - 4416=22, 4416/1.8=17...(9) HA MET 59 - HB3 GLN 133 lone 5 81 - 6 - 7674/4.0=3, 7710/4.5=2 HA MET 59 - HB2 GLN 133 lone 4 81 - 5 - 7674/4.0=3, 7710/4.5=2 Peak 4530 from cnoeabs.peaks (8.04, 2.14, 27.86 ppm; 3.10 A): 2 out of 6 assignments used, quality = 0.98: * H GLN 133 + HB2 GLN 133 OK 84 100 - 84 - 4.0=47, 7686/1.8=13...(30) H GLN 133 + HB3 GLN 133 OK 84 100 - 84 - 4.0=47, 7686/1.8=13...(30) H ILE 58 - HB2 GLN 133 lone 4 89 - 5 - 4518/3.0=2 H ILE 58 - HB3 GLN 133 lone 4 88 - 5 - 4518/3.0=2 H ARG 144 - HB2 GLN 133 lone 1 72 - 1 - H ARG 144 - HB3 GLN 133 lone 1 72 - 1 - Peak 4531 from cnoeabs.peaks (3.83, 2.14, 27.86 ppm; 3.18 A): 4 out of 16 assignments used, quality = 1.00: * HA GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 3.0=100 HD2 PRO 118 + HB2 GLN 133 OK 72 99 - 73 - 2.3/3968=8, ~3968=5...(51) HD2 PRO 118 + HB3 GLN 133 OK 72 99 - 73 - 2.3/3968=8, ~3968=5...(51) HA MET 68 - HB3 GLN 133 OK 14 88 - 15 - ~6663=1, 1953/2.9=1...(7) HA MET 68 - HB2 GLN 133 OK 14 89 - 15 - ~6663=1, 1953/2.9=1...(7) HA LEU 66 - HB2 GLN 133 OK 11 89 - 12 - 7684/4.0=1, ~6637=1...(5) HA LEU 66 - HB3 GLN 133 OK 11 88 - 12 - 7684/4.0=1, ~6637=1...(5) HA ALA 104 - HB2 GLN 133 poor 10 94 - 10 - 7715/4.5=2, 7684/4.0=1, ~3405=1 HA ALA 104 - HB3 GLN 133 poor 10 94 - 10 - 7715/4.5=2, 7684/4.0=1, ~3405=1 HB2 SER 100 - HB2 GLN 133 lone 9 100 - 9 - 7684/4.0=2 HB2 SER 100 - HB3 GLN 133 lone 8 100 - 9 - 7684/4.0=2 HB2 SER 127 - HB2 GLN 133 lone 5 85 - 6 - ~4326=1 HB2 SER 127 - HB3 GLN 133 lone 5 85 - 6 - ~4326=1 HA3 GLY 50 - HB2 GLN 133 lone 3 77 - 3 - HA3 GLY 50 - HB3 GLN 133 lone 2 77 - 3 - Peak 4532 from cnoeabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 Peak 4533 from cnoeabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 Reference assignment not found: HB3 GLN 133 - HB2 GLN 133 Peak 4534 from cnoeabs.peaks (2.42, 2.14, 27.86 ppm; 2.69 A): 6 out of 16 assignments used, quality = 1.00: * HG2 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HG3 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HG2 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HG3 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HB3 PRO 118 + HB2 GLN 133 OK 60 100 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HB3 PRO 118 + HB3 GLN 133 OK 60 99 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HG3 GLN 47 - HB2 GLN 133 OK 27 99 - 27 - 4551=2, 4522/3.0=2...(5) HG2 GLN 47 - HB2 GLN 133 OK 27 99 - 27 - 4551=2, 4522/3.0=2...(5) HG3 GLN 47 - HB3 GLN 133 OK 27 99 - 27 - 4552=2, 4522/3.0=2...(5) HG2 GLN 47 - HB3 GLN 133 OK 27 99 - 27 - 4552=2, 4522/3.0=2...(5) HG2 MET 68 - HB2 GLN 133 lone 7 89 - 8 - HG2 MET 68 - HB3 GLN 133 lone 7 88 - 8 - QE MET 46 - HB2 GLN 133 lone 5 99 - 5 - QE MET 46 - HB3 GLN 133 lone 5 99 - 5 - HB3 PRO 33 - HB2 GLN 133 lone 2 72 - 3 - HB3 PRO 33 - HB3 GLN 133 lone 2 72 - 3 - Peak 4535 from cnoeabs.peaks (2.42, 2.14, 27.86 ppm; 2.69 A): 6 out of 16 assignments used, quality = 1.00: * HG3 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HG2 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HG3 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HG2 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HB3 PRO 118 + HB2 GLN 133 OK 61 100 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HB3 PRO 118 + HB3 GLN 133 OK 60 100 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HG3 GLN 47 - HB2 GLN 133 OK 26 98 - 27 - 4551=2, 4522/3.0=2...(5) HG2 GLN 47 - HB2 GLN 133 OK 26 98 - 27 - 4551=2, 4522/3.0=2...(5) HG3 GLN 47 - HB3 GLN 133 OK 26 98 - 27 - 4552=2, 4522/3.0=2...(5) HG2 GLN 47 - HB3 GLN 133 OK 26 98 - 27 - 4552=2, 4522/3.0=2...(5) HG2 MET 68 - HB2 GLN 133 lone 7 85 - 8 - HG2 MET 68 - HB3 GLN 133 lone 7 85 - 8 - QE MET 46 - HB2 GLN 133 lone 5 100 - 5 - QE MET 46 - HB3 GLN 133 lone 5 99 - 5 - HB3 PRO 33 - HB2 GLN 133 lone 2 68 - 3 - HB3 PRO 33 - HB3 GLN 133 lone 2 67 - 3 - Peak 4537 from cnoeabs.peaks (7.79, 2.14, 27.86 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 4.5=100 HE22 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 4.5=100 Peak 4538 from cnoeabs.peaks (7.69, 2.14, 27.86 ppm; 3.41 A): 2 out of 6 assignments used, quality = 0.99: * H ALA 134 + HB2 GLN 133 OK 90 100 - 90 - 4.5=43, 7714/4.0=20...(36) H ALA 134 + HB3 GLN 133 OK 90 100 - 90 - 4.5=43, 7714/4.0=20...(36) H PHE 106 - HB2 GLN 133 OK 14 99 - 14 - 4526/3.0=5, 7691/4.0=3...(5) H PHE 106 - HB3 GLN 133 OK 14 99 - 14 - 4526/3.0=5, 7691/4.0=3...(5) H GLU 28 - HB3 GLN 133 lone 9 98 - 9 - 4526/3.0=2, 7691/4.0=2 H GLU 28 - HB2 GLN 133 lone 9 98 - 9 - 4526/3.0=2, 7691/4.0=2 Peak 4539 from cnoeabs.peaks (4.57, 2.14, 27.86 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.85: * HA ASN 130 + HB3 GLN 133 OK 62 100 - 62 - 4416=22, 4416/1.8=17...(9) HA ASN 130 + HB2 GLN 133 OK 62 100 - 62 - 4416=22, 4416/1.8=17...(9) HA MET 59 - HB3 GLN 133 lone 5 81 - 6 - 7674/4.0=3, 7710/4.5=2 HA MET 59 - HB2 GLN 133 lone 5 81 - 6 - 7674/4.0=3, 7710/4.5=2 Peak 4540 from cnoeabs.peaks (8.04, 2.14, 27.86 ppm; 3.10 A): 2 out of 6 assignments used, quality = 0.97: * H GLN 133 + HB3 GLN 133 OK 84 100 - 84 - 4.0=47, 7686/1.8=13...(30) H GLN 133 + HB2 GLN 133 OK 84 100 - 84 - 4.0=47, 7686/1.8=13...(30) H ILE 58 - HB3 GLN 133 lone 4 89 - 5 - 4518/3.0=2 H ILE 58 - HB2 GLN 133 lone 4 88 - 5 - 4518/3.0=2 H ARG 144 - HB3 GLN 133 lone 1 72 - 1 - H ARG 144 - HB2 GLN 133 lone 1 72 - 1 - Peak 4541 from cnoeabs.peaks (3.83, 2.14, 27.86 ppm; 3.18 A): 4 out of 16 assignments used, quality = 1.00: * HA GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 3.0=100 HD2 PRO 118 + HB3 GLN 133 OK 72 99 - 73 - 2.3/3968=8, ~3968=5...(51) HD2 PRO 118 + HB2 GLN 133 OK 72 99 - 73 - 2.3/3968=8, ~3968=5...(51) HA MET 68 - HB3 GLN 133 OK 14 89 - 15 - ~6663=1, 1953/2.9=1...(7) HA MET 68 - HB2 GLN 133 OK 14 88 - 15 - ~6663=1, 1953/2.9=1...(7) HA LEU 66 - HB3 GLN 133 OK 11 89 - 12 - 7684/4.0=1, ~6637=1...(5) HA LEU 66 - HB2 GLN 133 OK 11 88 - 12 - 7684/4.0=1, ~6637=1...(5) HA ALA 104 - HB3 GLN 133 poor 10 94 - 10 - 7715/4.5=2, 7684/4.0=1, ~3405=1 HA ALA 104 - HB2 GLN 133 poor 10 94 - 10 - 7715/4.5=2, 7684/4.0=1, ~3405=1 HB2 SER 100 - HB3 GLN 133 lone 9 100 - 9 - 7684/4.0=2 HB2 SER 100 - HB2 GLN 133 lone 8 100 - 8 - 7684/4.0=2 HB2 SER 127 - HB3 GLN 133 lone 5 85 - 6 - ~4326=1 HB2 SER 127 - HB2 GLN 133 lone 5 85 - 6 - ~4326=1 HA3 GLY 50 - HB3 GLN 133 lone 3 77 - 3 - HA3 GLY 50 - HB2 GLN 133 lone 2 77 - 3 - Peak 4542 from cnoeabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 Reference assignment not found: HB2 GLN 133 - HB3 GLN 133 Peak 4543 from cnoeabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 Peak 4544 from cnoeabs.peaks (2.42, 2.14, 27.86 ppm; 2.69 A): 6 out of 16 assignments used, quality = 1.00: * HG2 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HG3 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HG2 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HG3 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HB3 PRO 118 + HB3 GLN 133 OK 60 100 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HB3 PRO 118 + HB2 GLN 133 OK 60 99 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HG3 GLN 47 - HB3 GLN 133 OK 27 99 - 27 - 4552=2, 4522/3.0=2...(5) HG2 GLN 47 - HB3 GLN 133 OK 27 99 - 27 - 4552=2, 4522/3.0=2...(5) HG2 GLN 47 - HB2 GLN 133 OK 27 99 - 27 - 4551=2, 4522/3.0=2...(5) HG3 GLN 47 - HB2 GLN 133 OK 27 99 - 27 - 4551=2, 4522/3.0=2...(5) HG2 MET 68 - HB3 GLN 133 lone 7 89 - 8 - HG2 MET 68 - HB2 GLN 133 lone 7 88 - 8 - QE MET 46 - HB3 GLN 133 lone 5 99 - 5 - QE MET 46 - HB2 GLN 133 lone 5 99 - 5 - HB3 PRO 33 - HB3 GLN 133 lone 2 72 - 3 - HB3 PRO 33 - HB2 GLN 133 lone 2 72 - 3 - Peak 4545 from cnoeabs.peaks (2.42, 2.14, 27.86 ppm; 2.69 A): 6 out of 16 assignments used, quality = 1.00: * HG3 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HG2 GLN 133 + HB3 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HG3 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 4561/1.8=5...(26) HG2 GLN 133 + HB2 GLN 133 OK 89 100 - 89 - 2.9=77, 1.8/4561=5...(26) HB3 PRO 118 + HB3 GLN 133 OK 60 100 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HB3 PRO 118 + HB2 GLN 133 OK 60 100 - 61 - 2.3/3968=6, 1.8/3952=3...(40) HG3 GLN 47 - HB3 GLN 133 OK 26 98 - 27 - 4552=2, 4522/3.0=2...(5) HG2 GLN 47 - HB3 GLN 133 OK 26 98 - 27 - 4552=2, 4522/3.0=2...(5) HG2 GLN 47 - HB2 GLN 133 OK 26 98 - 27 - 4551=2, 4522/3.0=2...(5) HG3 GLN 47 - HB2 GLN 133 OK 26 98 - 27 - 4551=2, 4522/3.0=2...(5) HG2 MET 68 - HB3 GLN 133 lone 7 85 - 8 - HG2 MET 68 - HB2 GLN 133 lone 7 85 - 8 - QE MET 46 - HB3 GLN 133 lone 5 100 - 5 - QE MET 46 - HB2 GLN 133 lone 5 99 - 5 - HB3 PRO 33 - HB3 GLN 133 lone 2 68 - 3 - HB3 PRO 33 - HB2 GLN 133 lone 2 67 - 3 - Peak 4547 from cnoeabs.peaks (7.79, 2.14, 27.86 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 4.5=100 HE22 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 4.5=100 Peak 4548 from cnoeabs.peaks (7.69, 2.14, 27.86 ppm; 3.41 A): 2 out of 6 assignments used, quality = 0.99: * H ALA 134 + HB3 GLN 133 OK 90 100 - 90 - 4.5=43, 7714/4.0=20...(36) H ALA 134 + HB2 GLN 133 OK 89 100 - 90 - 4.5=43, 7714/4.0=20...(36) H PHE 106 - HB3 GLN 133 OK 14 99 - 14 - 4526/3.0=5, 7691/4.0=3...(5) H PHE 106 - HB2 GLN 133 OK 14 99 - 14 - 4526/3.0=5, 7691/4.0=3...(5) H GLU 28 - HB3 GLN 133 lone 9 98 - 9 - 4526/3.0=2, 7691/4.0=2 H GLU 28 - HB2 GLN 133 lone 9 98 - 9 - 4526/3.0=2, 7691/4.0=2 Peak 4549 from cnoeabs.peaks (8.04, 2.42, 33.16 ppm; 3.21 A): 2 out of 12 assignments used, quality = 0.97: * H GLN 133 + HG2 GLN 133 OK 81 100 - 81 - 4.5=35, 4530/2.9=12...(31) H GLN 133 + HG3 GLN 133 OK 81 100 - 81 - 4.5=35, 4530/2.9=12...(31) H GLN 133 - HG2 GLN 47 OK 27 95 - 28 - 7687=4, 7687/1.8=3...(14) H GLN 133 - HG3 GLN 47 OK 27 95 - 28 - 7687=4, 7687/1.8=3...(14) H ILE 58 - HG2 GLN 133 lone 4 89 - 4 - 4518/4.0=2 H ILE 58 - HG3 GLN 133 lone 4 88 - 4 - 4518/4.0=2 H ARG 144 - HG3 GLN 133 lone 1 72 - 2 - H ARG 144 - HG2 GLN 133 lone 1 72 - 2 - H ARG 144 - HG3 GLN 47 lone 1 64 - 1 - H ARG 144 - HG2 GLN 47 lone 1 64 - 1 - H ILE 58 - HG3 GLN 47 lone 1 80 - 1 - H ILE 58 - HG2 GLN 47 lone 1 80 - 1 - Peak 4550 from cnoeabs.peaks (3.83, 2.42, 33.16 ppm; 2.94 A): 4 out of 32 assignments used, quality = 0.99: * HA GLN 133 + HG2 GLN 133 OK 80 100 - 80 - 4.0=40, 4525/3.5=11...(29) HA GLN 133 + HG3 GLN 133 OK 80 100 - 80 - 4.0=40, 4525/3.5=11...(29) HD2 PRO 118 + HG2 GLN 133 OK 51 99 - 52 - 2.3/3966=4, 4531/2.9=4...(31) HD2 PRO 118 + HG3 GLN 133 OK 51 99 - 52 - 2.3/3966=4, 4531/2.9=4...(31) HA GLN 133 - HG3 GLN 47 OK 25 95 - 26 - 4522=4, 4522/1.8=3...(10) HA GLN 133 - HG2 GLN 47 OK 25 95 - 26 - 4522=4, 4522/1.8=3...(10) HD2 PRO 118 - HG3 GLN 47 OK 17 92 - 18 - 1.8/3934=1, 2.3/3966=1...(5) HD2 PRO 118 - HG2 GLN 47 OK 17 92 - 18 - 1.8/3934=1, 2.3/3966=1...(5) HA MET 68 - HG2 GLN 133 OK 14 89 - 16 - 7703/3.5=1, 7695/3.5=1...(4) HA MET 68 - HG3 GLN 133 OK 14 88 - 16 - 7703/3.5=1, 7695/3.5=1...(4) HA MET 68 - HG2 GLN 47 poor 8 80 - 10 - HA MET 68 - HG3 GLN 47 poor 8 80 - 10 - HA LEU 66 - HG2 GLN 133 lone 8 89 - 9 - HA LEU 66 - HG3 GLN 133 lone 8 88 - 9 - HA ALA 104 - HG2 GLN 133 lone 7 94 - 7 - HA ALA 104 - HG3 GLN 133 lone 7 94 - 7 - HB2 SER 100 - HG2 GLN 133 lone 6 100 - 6 - 7684/4.5=1 HB2 SER 100 - HG3 GLN 133 lone 6 100 - 6 - 7684/4.5=1 HA ALA 104 - HG2 GLN 47 lone 5 86 - 5 - HA ALA 104 - HG3 GLN 47 lone 5 86 - 5 - HA3 GLY 50 - HG3 GLN 133 lone 4 77 - 5 - 2.9/8190=2, 3.6/8217=1, ~8190=1 HA3 GLY 50 - HG2 GLN 133 lone 4 77 - 5 - 2.9/8190=2, ~8190=1, 3.6/8217=1 HB2 SER 127 - HG2 GLN 133 lone 3 85 - 4 - HB2 SER 127 - HG3 GLN 133 lone 3 85 - 4 - HA3 GLY 50 - HG3 GLN 47 lone 3 68 - 4 - 2.9/8190=1 HA3 GLY 50 - HG2 GLN 47 lone 3 68 - 4 - 2.9/8190=1 HA LEU 66 - HG3 GLN 47 lone 2 80 - 3 - HA LEU 66 - HG2 GLN 47 lone 2 80 - 3 - HB2 SER 100 - HG3 GLN 47 lone 1 94 - 2 - HB2 SER 100 - HG2 GLN 47 lone 1 94 - 2 - HB2 SER 127 - HG2 GLN 47 lone 1 77 - 1 - HB2 SER 127 - HG3 GLN 47 lone 1 77 - 1 - Peak 4551 from cnoeabs.peaks (2.14, 2.42, 33.16 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HB2 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HB3 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HB2 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HB3 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HG3 PRO 118 - HG2 GLN 133 OK 37 96 - 39 - 1.8/3966=3, 3977/4.0=2...(23) HG3 PRO 118 - HG3 GLN 133 OK 37 96 - 39 - 1.8/3966=3, 3977/4.0=2...(23) HB2 GLN 133 - HG3 GLN 47 OK 22 95 - 23 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 22 95 - 23 - 4534=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 22 95 - 23 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG3 GLN 47 OK 22 95 - 23 - 4544=2, 3.0/4522=1...(5) HG LEU 29 - HG2 GLN 133 OK 14 68 - 21 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG3 GLN 133 OK 14 67 - 21 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 OK 10 89 - 11 - HG3 PRO 118 - HG2 GLN 47 OK 10 89 - 11 - HG2 GLU 81 - HG2 GLN 133 lone 4 100 - 4 - HG2 GLU 81 - HG3 GLN 133 lone 4 99 - 4 - HG LEU 29 - HG2 GLN 47 lone 1 59 - 2 - HG LEU 29 - HG3 GLN 47 lone 1 59 - 2 - HG2 GLN 111 - HG2 GLN 133 lone 1 68 - 2 - HG2 GLN 111 - HG3 GLN 133 lone 1 67 - 2 - HG2 GLU 81 - HG3 GLN 47 lone 0 93 - 0 - HG2 GLU 81 - HG2 GLN 47 lone 0 93 - 0 - HG2 GLN 111 - HG3 GLN 47 lone 0 59 - 1 - HG2 GLN 111 - HG2 GLN 47 lone 0 59 - 1 - Peak 4552 from cnoeabs.peaks (2.14, 2.42, 33.16 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HB3 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HB2 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HB3 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HB2 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HG3 PRO 118 - HG2 GLN 133 OK 36 94 - 38 - 1.8/3966=3, 2.3/4559=2...(23) HG3 PRO 118 - HG3 GLN 133 OK 36 94 - 38 - 1.8/3966=3, 2.3/4559=2...(23) HB3 GLN 133 - HG3 GLN 47 OK 22 95 - 23 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 22 95 - 23 - 4544=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 22 95 - 23 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG3 GLN 47 OK 22 95 - 23 - 4534=2, 3.0/4522=1...(5) HG LEU 29 - HG2 GLN 133 OK 15 72 - 21 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG3 GLN 133 OK 15 72 - 21 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 poor 10 86 - 11 - HG3 PRO 118 - HG2 GLN 47 poor 10 86 - 11 - HG2 GLU 81 - HG2 GLN 133 lone 4 99 - 4 - HG2 GLU 81 - HG3 GLN 133 lone 4 99 - 4 - HG LEU 29 - HG2 GLN 47 lone 1 64 - 2 - HG LEU 29 - HG3 GLN 47 lone 1 64 - 2 - HG2 GLN 111 - HG2 GLN 133 lone 1 62 - 2 - HG2 GLN 111 - HG3 GLN 133 lone 1 62 - 2 - HG2 GLU 81 - HG3 GLN 47 lone 0 92 - 0 - HG2 GLU 81 - HG2 GLN 47 lone 0 92 - 0 - HG2 GLN 111 - HG3 GLN 47 lone 0 55 - 0 - HG2 GLN 111 - HG2 GLN 47 lone 0 55 - 0 - Peak 4553 from cnoeabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 92 92 - 100 HG3 GLN 47 + HG3 GLN 47 OK 92 92 - 100 Peak 4554 from cnoeabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 91 91 - 100 HG3 GLN 47 + HG3 GLN 47 OK 91 91 - 100 Reference assignment not found: HG3 GLN 133 - HG2 GLN 133 Peak 4555 from cnoeabs.peaks (6.81, 2.42, 33.16 ppm; 3.22 A): 2 out of 12 assignments used, quality = 0.99: * HE21 GLN 133 + HG2 GLN 133 OK 92 100 - 92 - 3.5=76, 1.7/4565=17...(13) HE21 GLN 133 + HG3 GLN 133 OK 92 100 - 92 - 3.5=76, 1.7/4565=17...(13) HE21 GLN 133 - HG3 GLN 47 OK 20 95 - 21 - 7698=4, 1.7/4556=3...(7) HE21 GLN 133 - HG2 GLN 47 OK 20 95 - 21 - 7698=4, 1.7/4556=3...(7) QD PHE 67 - HG2 GLN 133 lone 5 72 - 6 - 3.7/9602=2, 4524/4.0=1 QD PHE 67 - HG3 GLN 133 lone 5 72 - 6 - 3.7/9602=2, 4524/4.0=1 QD PHE 67 - HG2 GLN 47 lone 2 64 - 4 - 3.7/9602=2 QD PHE 67 - HG3 GLN 47 lone 2 64 - 4 - 3.7/9602=2 HD21 ASN 96 - HG2 GLN 133 lone 2 99 - 2 - HD21 ASN 96 - HG3 GLN 133 lone 2 99 - 2 - HD21 ASN 96 - HG2 GLN 47 lone 0 92 - 1 - HD21 ASN 96 - HG3 GLN 47 lone 0 92 - 1 - Peak 4556 from cnoeabs.peaks (7.79, 2.42, 33.16 ppm; 2.79 A): 2 out of 4 assignments used, quality = 0.95: * HE22 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 3.5=49, 7707/1.8=13...(13) HE22 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 3.5=49, 7707/1.8=13...(13) HE22 GLN 133 - HG2 GLN 47 OK 15 95 - 16 - 7706=4, 7706/1.8=3...(7) HE22 GLN 133 - HG3 GLN 47 OK 15 95 - 16 - 7706=4, 7706/1.8=3...(7) Peak 4557 from cnoeabs.peaks (7.69, 2.42, 33.16 ppm; 3.41 A): 2 out of 12 assignments used, quality = 0.95: * H ALA 134 + HG2 GLN 133 OK 78 100 - 78 - 7714/4.5=16, 7719=13...(28) H ALA 134 + HG3 GLN 133 OK 78 100 - 78 - 7714/4.5=16, 7719=13...(28) H ALA 134 - HG2 GLN 47 OK 27 95 - 28 - 7718=5, 7718/1.8=3...(14) H ALA 134 - HG3 GLN 47 OK 27 95 - 28 - 7718=5, 7718/1.8=3...(14) H PHE 106 - HG2 GLN 133 OK 14 99 - 14 - 4526/4.0=4, 7691/4.5=2...(4) H PHE 106 - HG3 GLN 133 OK 13 99 - 14 - 4526/4.0=4, 7691/4.5=2...(4) H GLU 28 - HG2 GLN 133 lone 7 98 - 7 - 4526/4.0=2, 7691/4.5=1...(4) H GLU 28 - HG3 GLN 133 lone 7 98 - 7 - 4526/4.0=2, 7691/4.5=1...(4) H PHE 106 - HG2 GLN 47 lone 4 92 - 4 - H PHE 106 - HG3 GLN 47 lone 4 92 - 4 - H GLU 28 - HG2 GLN 47 lone 3 91 - 4 - 6103/3.6=2 H GLU 28 - HG3 GLN 47 lone 3 91 - 4 - 6103/3.6=2 Peak 4558 from cnoeabs.peaks (8.04, 2.42, 33.16 ppm; 3.21 A): 2 out of 12 assignments used, quality = 0.97: * H GLN 133 + HG3 GLN 133 OK 81 100 - 81 - 4.5=35, 4530/2.9=12...(31) H GLN 133 + HG2 GLN 133 OK 81 100 - 81 - 4.5=35, 4530/2.9=12...(31) H GLN 133 - HG2 GLN 47 OK 25 91 - 28 - 7687=4, 7687/1.8=3...(14) H GLN 133 - HG3 GLN 47 OK 25 91 - 28 - 7687=4, 7687/1.8=3...(14) H ILE 58 - HG3 GLN 133 lone 4 89 - 4 - 4518/4.0=2 H ILE 58 - HG2 GLN 133 lone 4 88 - 4 - 4518/4.0=2 H ARG 144 - HG3 GLN 133 lone 1 72 - 2 - H ARG 144 - HG2 GLN 133 lone 1 72 - 2 - H ARG 144 - HG3 GLN 47 lone 1 60 - 1 - H ARG 144 - HG2 GLN 47 lone 1 60 - 1 - H ILE 58 - HG3 GLN 47 lone 1 76 - 1 - H ILE 58 - HG2 GLN 47 lone 1 76 - 1 - Peak 4559 from cnoeabs.peaks (3.83, 2.42, 33.16 ppm; 2.94 A): 4 out of 32 assignments used, quality = 0.99: * HA GLN 133 + HG3 GLN 133 OK 80 100 - 80 - 4.0=40, 4525/3.5=11...(29) HA GLN 133 + HG2 GLN 133 OK 80 100 - 80 - 4.0=40, 4525/3.5=11...(29) HD2 PRO 118 + HG3 GLN 133 OK 51 99 - 52 - 2.3/3966=4, 4531/2.9=4...(31) HD2 PRO 118 + HG2 GLN 133 OK 51 99 - 52 - 2.3/3966=4, 4531/2.9=4...(31) HA GLN 133 - HG3 GLN 47 OK 24 91 - 26 - 4522=4, 4522/1.8=3...(10) HA GLN 133 - HG2 GLN 47 OK 24 91 - 26 - 4522=4, 4522/1.8=3...(10) HD2 PRO 118 - HG2 GLN 47 OK 16 88 - 18 - 1.8/3934=1, 2.3/3966=1...(5) HD2 PRO 118 - HG3 GLN 47 OK 16 88 - 18 - 1.8/3934=1, 2.3/3966=1...(5) HA MET 68 - HG3 GLN 133 OK 14 89 - 16 - 7703/3.5=1, 7695/3.5=1 HA MET 68 - HG2 GLN 133 OK 14 88 - 16 - 7703/3.5=1, 7695/3.5=1...(4) HA LEU 66 - HG3 GLN 133 lone 8 89 - 9 - HA LEU 66 - HG2 GLN 133 lone 8 88 - 9 - HA MET 68 - HG2 GLN 47 lone 8 76 - 10 - HA MET 68 - HG3 GLN 47 lone 8 76 - 10 - HA ALA 104 - HG3 GLN 133 lone 7 94 - 7 - HA ALA 104 - HG2 GLN 133 lone 7 94 - 7 - HB2 SER 100 - HG2 GLN 133 lone 6 100 - 6 - 7684/4.5=1 HB2 SER 100 - HG3 GLN 133 lone 6 100 - 6 - 7684/4.5=1 HA ALA 104 - HG2 GLN 47 lone 4 82 - 5 - HA ALA 104 - HG3 GLN 47 lone 4 82 - 5 - HA3 GLY 50 - HG3 GLN 133 lone 4 77 - 5 - 2.9/8190=2, 3.6/8217=1, ~8190=1 HA3 GLY 50 - HG2 GLN 133 lone 4 77 - 5 - 2.9/8190=1, ~8190=1 HB2 SER 127 - HG3 GLN 133 lone 3 85 - 4 - HB2 SER 127 - HG2 GLN 133 lone 3 85 - 4 - HA3 GLY 50 - HG3 GLN 47 lone 2 64 - 4 - 2.9/8190=1 HA3 GLY 50 - HG2 GLN 47 lone 2 64 - 4 - 2.9/8190=1 HA LEU 66 - HG3 GLN 47 lone 2 76 - 3 - HA LEU 66 - HG2 GLN 47 lone 2 76 - 3 - HB2 SER 100 - HG3 GLN 47 lone 1 90 - 2 - HB2 SER 100 - HG2 GLN 47 lone 1 90 - 2 - HB2 SER 127 - HG2 GLN 47 lone 1 72 - 1 - HB2 SER 127 - HG3 GLN 47 lone 1 72 - 1 - Peak 4560 from cnoeabs.peaks (2.14, 2.42, 33.16 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HB2 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HB3 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HB2 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HB3 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HG3 PRO 118 - HG3 GLN 133 OK 37 96 - 39 - 1.8/3966=3, 3977/4.0=2...(23) HG3 PRO 118 - HG2 GLN 133 OK 37 96 - 39 - 1.8/3966=3, 3977/4.0=2...(23) HB2 GLN 133 - HG3 GLN 47 OK 21 91 - 23 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 21 91 - 23 - 4534=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 21 91 - 23 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG3 GLN 47 OK 21 91 - 23 - 4544=2, 3.0/4522=1...(5) HG LEU 29 - HG3 GLN 133 OK 14 68 - 21 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG2 GLN 133 OK 14 67 - 21 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 poor 10 84 - 11 - HG3 PRO 118 - HG2 GLN 47 poor 10 84 - 11 - HG2 GLU 81 - HG2 GLN 133 lone 4 99 - 4 - HG2 GLU 81 - HG3 GLN 133 lone 4 100 - 4 - HG LEU 29 - HG2 GLN 47 lone 1 56 - 2 - HG LEU 29 - HG3 GLN 47 lone 1 56 - 2 - HG2 GLN 111 - HG3 GLN 133 lone 1 68 - 2 - HG2 GLN 111 - HG2 GLN 133 lone 1 67 - 2 - HG2 GLU 81 - HG3 GLN 47 lone 0 89 - 0 - HG2 GLU 81 - HG2 GLN 47 lone 0 89 - 0 - HG2 GLN 111 - HG3 GLN 47 lone 0 56 - 0 - HG2 GLN 111 - HG2 GLN 47 lone 0 56 - 0 - Peak 4561 from cnoeabs.peaks (2.14, 2.42, 33.16 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HB3 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HB2 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HB3 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 4545/1.8=4...(22) HB2 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 2.9=62, 1.8/4545=4...(22) HG3 PRO 118 - HG3 GLN 133 OK 36 94 - 38 - 1.8/3966=3, 2.3/4559=2...(23) HG3 PRO 118 - HG2 GLN 133 OK 36 94 - 38 - 1.8/3966=3, 2.3/4559=2...(23) HB3 GLN 133 - HG3 GLN 47 OK 21 91 - 23 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 21 91 - 23 - 4544=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 21 91 - 23 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG3 GLN 47 OK 21 91 - 23 - 4534=2, 3.0/4522=1...(5) HG LEU 29 - HG3 GLN 133 OK 15 72 - 21 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG2 GLN 133 OK 15 72 - 21 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 poor 9 82 - 11 - HG3 PRO 118 - HG2 GLN 47 poor 9 82 - 11 - HG2 GLU 81 - HG2 GLN 133 lone 4 99 - 4 - HG2 GLU 81 - HG3 GLN 133 lone 4 99 - 3 - HG LEU 29 - HG3 GLN 47 lone 1 60 - 2 - HG LEU 29 - HG2 GLN 47 lone 1 60 - 2 - HG2 GLN 111 - HG3 GLN 133 lone 1 62 - 2 - HG2 GLN 111 - HG2 GLN 133 lone 1 62 - 2 - HG2 GLU 81 - HG3 GLN 47 lone 0 88 - 0 - HG2 GLU 81 - HG2 GLN 47 lone 0 88 - 0 - HG2 GLN 111 - HG3 GLN 47 lone 0 51 - 0 - HG2 GLN 111 - HG2 GLN 47 lone 0 51 - 0 - Peak 4562 from cnoeabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 88 88 - 100 HG3 GLN 47 + HG3 GLN 47 OK 88 88 - 100 Reference assignment not found: HG2 GLN 133 - HG3 GLN 133 Peak 4563 from cnoeabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 86 86 - 100 HG3 GLN 47 + HG3 GLN 47 OK 86 86 - 100 Peak 4564 from cnoeabs.peaks (6.81, 2.42, 33.16 ppm; 3.22 A): 2 out of 12 assignments used, quality = 0.99: * HE21 GLN 133 + HG3 GLN 133 OK 92 100 - 92 - 3.5=76, 1.7/4565=17...(13) HE21 GLN 133 + HG2 GLN 133 OK 92 100 - 92 - 3.5=76, 1.7/4565=17...(13) HE21 GLN 133 - HG3 GLN 47 OK 19 91 - 21 - 7698=4, 1.7/4556=3...(7) HE21 GLN 133 - HG2 GLN 47 OK 19 91 - 21 - 7698=4, 1.7/4556=3...(7) QD PHE 67 - HG2 GLN 133 lone 5 72 - 6 - 3.7/9602=2, 4524/4.0=1 QD PHE 67 - HG3 GLN 133 lone 5 72 - 6 - 3.7/9602=2, 4524/4.0=1 QD PHE 67 - HG3 GLN 47 lone 2 60 - 4 - 3.7/9602=2 QD PHE 67 - HG2 GLN 47 lone 2 60 - 4 - 3.7/9602=2 HD21 ASN 96 - HG2 GLN 133 lone 2 99 - 2 - HD21 ASN 96 - HG3 GLN 133 lone 2 99 - 2 - HD21 ASN 96 - HG2 GLN 47 lone 0 88 - 0 - HD21 ASN 96 - HG3 GLN 47 lone 0 88 - 0 - Peak 4565 from cnoeabs.peaks (7.79, 2.42, 33.16 ppm; 2.79 A): 2 out of 4 assignments used, quality = 0.95: * HE22 GLN 133 + HG3 GLN 133 OK 77 100 - 77 - 3.5=49, 7707/1.8=13...(13) HE22 GLN 133 + HG2 GLN 133 OK 77 100 - 77 - 3.5=49, 7707/1.8=13...(13) HE22 GLN 133 - HG2 GLN 47 OK 15 91 - 16 - 7706=4, 7706/1.8=3...(7) HE22 GLN 133 - HG3 GLN 47 OK 15 91 - 16 - 7706=4, 7706/1.8=3...(7) Peak 4566 from cnoeabs.peaks (7.69, 2.42, 33.16 ppm; 3.41 A): 2 out of 12 assignments used, quality = 0.95: * H ALA 134 + HG3 GLN 133 OK 78 100 - 78 - 7714/4.5=16, 7719=13...(28) H ALA 134 + HG2 GLN 133 OK 78 100 - 78 - 7714/4.5=16, 7719=13...(28) H ALA 134 - HG3 GLN 47 OK 26 91 - 28 - 7718=5, 7718/1.8=3...(14) H ALA 134 - HG2 GLN 47 OK 26 91 - 28 - 7718=5, 7718/1.8=3...(14) H PHE 106 - HG3 GLN 133 OK 13 99 - 14 - 4526/4.0=4, 7691/4.5=2...(4) H PHE 106 - HG2 GLN 133 OK 13 99 - 14 - 4526/4.0=4, 7691/4.5=2...(4) H GLU 28 - HG3 GLN 133 lone 7 98 - 7 - 4526/4.0=2, 7691/4.5=1...(4) H GLU 28 - HG2 GLN 133 lone 7 98 - 7 - 4526/4.0=2, 7691/4.5=1...(4) H PHE 106 - HG2 GLN 47 lone 3 88 - 4 - H PHE 106 - HG3 GLN 47 lone 3 88 - 4 - H GLU 28 - HG2 GLN 47 lone 3 86 - 4 - 6103/3.6=2 H GLU 28 - HG3 GLN 47 lone 3 86 - 4 - 6103/3.6=2 Peak 4567 from cnoeabs.peaks (7.69, 4.21, 54.36 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 134 + HA ALA 134 OK 100 100 - 100 - 2.8=100 H PHE 106 - HA ALA 134 OK 20 99 - 20 - 3.5/10448=5, 4575/2.1=5...(7) H GLU 28 - HA ALA 134 lone 10 98 - 10 - 4575/2.1=3, 7731/3.6=2, ~304=1 Peak 4568 from cnoeabs.peaks (4.21, 4.21, 54.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 134 + HA ALA 134 OK 100 100 - 100 Peak 4569 from cnoeabs.peaks (1.48, 4.21, 54.36 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 134 + HA ALA 134 OK 100 100 - 100 - 2.1=100 HG13 ILE 101 - HA ALA 134 OK 27 81 - 33 - 2.1/3361=4, 1.8/3345=4...(15) HB3 LEU 29 - HA ALA 134 OK 21 92 - 23 - 7723/2.8=4, 7733/3.6=3...(9) HD3 LYS 114 - HA ALA 134 poor 8 72 - 11 - 3.0/4573=1 HG3 LYS 86 - HA ALA 134 lone 3 81 - 3 - Peak 4570 from cnoeabs.peaks (7.85, 4.21, 54.36 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 135 + HA ALA 134 OK 100 100 - 100 - 3.6=99, 4578/2.1=33...(13) H TYR 119 - HA ALA 134 OK 29 100 - 30 - 7724/2.8=9, 4578/2.1=8...(8) H ARG 55 - HA ALA 134 lone 2 77 - 2 - H TRP 17 - HA ALA 134 lone 1 68 - 2 - Peak 4571 from cnoeabs.peaks (8.45, 4.21, 54.36 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.79: * H ASP 137 + HA ALA 134 OK 79 100 - 79 - 7756=20, 3.8/4572=17...(11) H GLY 15 - HA ALA 134 lone 8 89 - 9 - 7737/3.6=3, 10449/2.8=2 Peak 4572 from cnoeabs.peaks (2.69, 4.21, 54.36 ppm; 3.41 A): 2 out of 7 assignments used, quality = 0.76: * HB2 ASP 137 + HA ALA 134 OK 69 100 - 70 - 4651=22, 10323/2.1=18...(9) HB2 PHE 43 + HA ALA 134 OK 22 89 - 25 - 1.8/4573=7, 10323/2.1=7...(7) HB3 TYR 115 - HA ALA 134 lone 6 98 - 6 - 10323/2.1=2, ~10324=2 HB2 ASP 32 - HA ALA 134 lone 2 100 - 2 - HB3 ASP 13 - HA ALA 134 lone 1 85 - 2 - HB3 ASP 16 - HA ALA 134 lone 1 100 - 1 - HB3 CYS 121 - HA ALA 134 lone 1 68 - 1 - Peak 4573 from cnoeabs.peaks (2.74, 4.21, 54.36 ppm; 3.29 A): 4 out of 9 assignments used, quality = 0.84: * HB3 ASP 137 + HA ALA 134 OK 68 100 - 68 - 1.8/4572=22, 4657=17...(9) HB3 PHE 43 + HA ALA 134 OK 28 100 - 28 - 1.8/4572=7, ~11632=7...(6) HE2 LYS 76 + HA ALA 134 OK 18 77 - 23 - 9641/2.1=4, ~9641=3...(11) HE3 LYS 76 + HA ALA 134 OK 13 57 - 22 - 9641/2.1=3, ~9641=3...(10) HE2 LYS 114 - HA ALA 134 poor 9 72 - 13 - 9641/2.1=3, 3.0/4569=2...(5) HB2 ASN 96 - HA ALA 134 lone 6 92 - 7 - 3.0/9085=2, 9081/9651=2 HG3 MET 113 - HA ALA 134 lone 6 100 - 6 - HB3 ASP 40 - HA ALA 134 lone 2 92 - 3 - HB2 ASN 54 - HA ALA 134 lone 2 99 - 2 - Peak 4574 from cnoeabs.peaks (4.14, 1.48, 17.84 ppm; 2.87 A): 2 out of 4 assignments used, quality = 0.66: * HA GLU 131 + QB ALA 134 OK 60 100 - 60 - 4439=28, 7711/2.9=13...(9) HA LYS 76 + QB ALA 134 OK 16 89 - 18 - 2.9/10321=4, 7711/2.9=3...(5) HA LEU 126 - QB ALA 134 lone 8 96 - 9 - 7727/3.7=2, 7711/2.9=2 HA3 GLY 125 - QB ALA 134 lone 3 81 - 4 - 7711/2.9=1 Peak 4575 from cnoeabs.peaks (7.69, 1.48, 17.84 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.84: * H ALA 134 + QB ALA 134 OK 82 100 - 82 - 2.9=65, 3.5/4578=11...(15) H PHE 106 + QB ALA 134 OK 12 99 - 12 - 4567/2.1=3, 7731/3.7=2...(5) H GLU 28 - QB ALA 134 lone 9 98 - 9 - 4567/2.1=2, 4.0/10321=1...(4) Peak 4576 from cnoeabs.peaks (4.21, 1.48, 17.84 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 134 + QB ALA 134 OK 100 100 - 100 - 2.1=100 HA ILE 101 - QB ALA 134 OK 21 100 - 21 - 7722/2.9=3, 3325=3...(10) HA PHE 43 - QB ALA 134 poor 9 77 - 12 - 3.0/11632=3, 3.0/9641=2...(6) HA LYS 93 - QB ALA 134 lone 7 92 - 8 - 4.9/9637=1 HA THR 102 - QB ALA 134 lone 4 98 - 4 - HA PHE 45 - QB ALA 134 lone 3 92 - 3 - HA LYS 85 - QB ALA 134 lone 3 68 - 4 - 2.9/10321=1 Peak 4577 from cnoeabs.peaks (1.48, 1.48, 17.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 134 + QB ALA 134 OK 100 100 - 100 Peak 4578 from cnoeabs.peaks (7.85, 1.48, 17.84 ppm; 2.81 A): 2 out of 4 assignments used, quality = 0.77: * H ALA 135 + QB ALA 134 OK 72 100 - 72 - 3.7=43, 7724/2.9=16...(10) H TYR 119 + QB ALA 134 OK 18 100 - 18 - 7724/2.9=6, 4570/2.1=5...(5) H ARG 55 - QB ALA 134 lone 1 77 - 2 - H TRP 17 - QB ALA 134 lone 1 68 - 1 - Peak 4579 from cnoeabs.peaks (7.85, 4.26, 54.53 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 135 + HA ALA 135 OK 100 100 - 100 - 2.8=100 H TYR 119 - HA ALA 135 OK 16 100 - 16 - 4587/2.1=6, 7743/3.6=3...(6) H TRP 17 - HA ALA 135 lone 3 68 - 5 - 3.0/10862=3 H ARG 55 - HA ALA 135 lone 1 77 - 1 - Peak 4580 from cnoeabs.peaks (4.26, 4.26, 54.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 135 + HA ALA 135 OK 100 100 - 100 Peak 4581 from cnoeabs.peaks (1.52, 4.26, 54.53 ppm; 2.59 A): 1 out of 9 assignments used, quality = 1.00: * QB ALA 135 + HA ALA 135 OK 100 100 - 100 - 2.1=100 HB2 LEU 29 - HA ALA 135 OK 14 100 - 14 - 7735/2.8=3, ~7733=2, ~10835=1 HG3 LYS 76 - HA ALA 135 OK 11 99 - 11 - 7735/2.8=2, 7745/3.6=1 HB2 LYS 123 - HA ALA 135 poor 10 94 - 10 - ~10318=2, 4.2/4582=2...(4) HD2 LYS 76 - HA ALA 135 poor 10 92 - 10 - 7735/2.8=2, 7745/3.6=1 HG3 PRO 57 - HA ALA 135 lone 7 98 - 7 - 9693/4.9=1, 7745/3.6=1 HG2 LYS 93 - HA ALA 135 lone 6 99 - 6 - 7745/3.6=1 HG3 LYS 85 - HA ALA 135 lone 5 100 - 5 - HB2 GLU 122 - HA ALA 135 lone 4 68 - 6 - 3.0/4585=1 Peak 4582 from cnoeabs.peaks (8.22, 4.26, 54.53 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 136 + HA ALA 135 OK 100 100 - 100 - 3.6=100 H ARG 124 - HA ALA 135 OK 28 99 - 28 - 4590/2.1=9, 7557/3.6=8...(6) H THR 74 - HA ALA 135 OK 18 98 - 18 - 4590/2.1=5, 7736/2.8=5...(4) H GLY 125 - HA ALA 135 poor 8 77 - 11 - 7559/3.6=3, 4590/2.1=3...(5) H MET 11 - HA ALA 135 lone 3 89 - 3 - Peak 4583 from cnoeabs.peaks (8.14, 4.26, 54.53 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.84: * H SER 138 + HA ALA 135 OK 79 100 - 79 - 7774/3.6=25, 7773=13...(16) H THR 107 + HA ALA 135 OK 22 94 - 24 - 7753/3.6=8, 10448/4.9=4...(7) H HIS 14 - HA ALA 135 lone 3 98 - 3 - 7753/3.6=2 Peak 4584 from cnoeabs.peaks (4.00, 4.26, 54.53 ppm; 3.38 A): 2 out of 9 assignments used, quality = 0.60: * HB2 SER 138 + HA ALA 135 OK 37 100 - 37 - 4.0/4583=12, 4668=6...(10) HB3 SER 138 + HA ALA 135 OK 37 100 - 37 - 4.0/4583=12, 4674=6...(10) HA GLU 122 - HA ALA 135 lone 7 100 - 7 - 4059/2.1=1, 3.0/4581=1 HB3 SER 127 - HA ALA 135 lone 6 85 - 7 - ~9653=2, 10353/3.6=1, ~9653=1 HB3 SER 100 - HA ALA 135 lone 5 68 - 8 - ~9653=2, 10473/4.9=2, ~9653=1 HA LEU 69 - HA ALA 135 lone 4 100 - 4 - HA LYS 114 - HA ALA 135 lone 2 100 - 2 - HA MET 113 - HA ALA 135 lone 1 100 - 1 - HB2 SER 103 - HA ALA 135 lone 1 68 - 1 - Peak 4585 from cnoeabs.peaks (4.00, 4.26, 54.53 ppm; 3.38 A): 2 out of 9 assignments used, quality = 0.60: HB2 SER 138 + HA ALA 135 OK 37 100 - 37 - 4.0/4583=12, 4668=6...(10) * HB3 SER 138 + HA ALA 135 OK 37 100 - 37 - 4.0/4583=12, 4674=6...(10) HA GLU 122 - HA ALA 135 lone 7 100 - 7 - 4059/2.1=1, 3.0/4581=1 HB3 SER 127 - HA ALA 135 lone 6 85 - 7 - ~9653=2, 10353/3.6=1, ~9653=1 HB3 SER 100 - HA ALA 135 lone 5 68 - 8 - ~9653=2, 10473/4.9=2, ~9653=1 HA LEU 69 - HA ALA 135 lone 4 100 - 4 - HA LYS 114 - HA ALA 135 lone 2 100 - 2 - HA MET 113 - HA ALA 135 lone 1 100 - 1 - HB2 SER 103 - HA ALA 135 lone 1 68 - 1 - Peak 4586 from cnoeabs.peaks (4.08, 1.52, 18.21 ppm; 3.32 A): 6 out of 6 assignments used, quality = 0.89: * HA LEU 132 + QB ALA 135 OK 68 100 - 68 - 4586=22, 2.9/9626=14...(13) HA GLU 90 + QB ALA 135 OK 28 100 - 28 - 5.0/9654=11, 4586=9...(5) HD3 PRO 118 + QB ALA 135 OK 24 77 - 31 - 7728/2.9=5, 2.3/9655=5...(10) HA LYS 34 + QB ALA 135 OK 19 100 - 19 - 4586=6, 3.0/10452=5, 7728/2.9=2 HA LEU 26 + QB ALA 135 OK 15 96 - 16 - 4586=2, 10545/8753=2...(5) HA VAL 53 + QB ALA 135 OK 12 100 - 12 - 4586=4, 7728/2.9=1, 4511/9628=1 Peak 4587 from cnoeabs.peaks (7.85, 1.52, 18.21 ppm; 2.69 A): 2 out of 4 assignments used, quality = 0.92: * H ALA 135 + QB ALA 135 OK 91 100 - 91 - 2.9=83, 7743/3.7=11...(12) H TYR 119 + QB ALA 135 OK 18 100 - 18 - 4579/2.1=3, 4578/4.0=2...(7) H TRP 17 - QB ALA 135 lone 2 68 - 3 - ~10862=2 H ARG 55 - QB ALA 135 lone 1 77 - 2 - Peak 4588 from cnoeabs.peaks (4.26, 1.52, 18.21 ppm; 2.65 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 135 + QB ALA 135 OK 100 100 - 100 - 2.1=100 HA SER 138 - QB ALA 135 OK 39 100 - 40 - 4588=10, ~4583=5...(11) HA LEU 95 - QB ALA 135 OK 11 85 - 13 - 4588=2, 4.3/9643=2, 3.9/9627=2 HB THR 99 - QB ALA 135 OK 11 99 - 11 - 2.1/9626=4, 4588=3 HA ARG 49 - QB ALA 135 lone 6 81 - 7 - 4588=2, 5.2/10325=2 HA2 GLY 50 - QB ALA 135 lone 4 100 - 4 - HA ARG 140 - QB ALA 135 lone 4 62 - 6 - HA GLU 142 - QB ALA 135 lone 1 72 - 1 - Peak 4589 from cnoeabs.peaks (1.52, 1.52, 18.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 135 + QB ALA 135 OK 100 100 - 100 Peak 4590 from cnoeabs.peaks (8.22, 1.52, 18.21 ppm; 3.18 A): 3 out of 5 assignments used, quality = 0.93: * H ILE 136 + QB ALA 135 OK 86 100 - 86 - 3.7=62, 3.1/4587=22...(16) H ARG 124 + QB ALA 135 OK 34 99 - 34 - 7542=6, 7557/3.7=6...(12) H THR 74 + QB ALA 135 OK 20 98 - 20 - 7736/2.9=3, 4582/2.1=3...(7) H GLY 125 - QB ALA 135 poor 9 77 - 12 - 4.7/7542=2, 7559/3.7=2...(5) H MET 11 - QB ALA 135 lone 3 89 - 3 - Peak 4591 from cnoeabs.peaks (8.22, 3.71, 64.37 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 136 + HA ILE 136 OK 100 100 - 100 - 2.9=100 H THR 74 - HA ILE 136 OK 45 98 - 46 - 6781=7, 4603/3.0=5...(17) H ARG 124 - HA ILE 136 OK 40 99 - 41 - 7557/2.9=8, 4611/3.2=6...(13) H GLY 125 - HA ILE 136 OK 11 77 - 14 - 7559/2.9=3, 4611/3.2=2...(8) H MET 11 - HA ILE 136 lone 7 89 - 7 - 4.7/10749=2 Peak 4592 from cnoeabs.peaks (3.71, 3.71, 64.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 136 + HA ILE 136 OK 100 100 - 100 Peak 4593 from cnoeabs.peaks (1.91, 3.71, 64.37 ppm; 3.42 A): 2 out of 16 assignments used, quality = 1.00: * HB ILE 136 + HA ILE 136 OK 100 100 - 100 - 3.0=100 HB3 LEU 132 + HA ILE 136 OK 45 77 - 59 - 3.2/9681=7, 4593=7...(29) HG13 ILE 83 - HA ILE 136 OK 45 100 - 45 - 1.8/9692=11, 3.2/11041=8...(18) HB ILE 101 - HA ILE 136 OK 37 81 - 45 - 2.1/4594=8, 3.2/4594=5...(18) HB2 PRO 118 - HA ILE 136 OK 34 89 - 39 - 4593=3, ~10329=3...(26) HB2 ARG 140 - HA ILE 136 OK 31 62 - 50 - 4.0/7813=5, 2.9/4596=4...(28) QE MET 68 - HA ILE 136 OK 26 98 - 27 - 8424/4.2=6, 1993/3.7=3...(11) HB3 ARG 89 - HA ILE 136 OK 23 77 - 30 - 1.8/4593=3, 2.8/4596=3...(14) HB3 LEU 69 - HA ILE 136 OK 21 94 - 22 - 3.2/9928=5, ~10338=2...(9) HB2 MET 59 - HA ILE 136 OK 18 94 - 19 - 4.8/9692=8, ~1611=1 HB2 LYS 86 - HA ILE 136 OK 13 99 - 13 - 4613/3.2=1 HB3 GLN 111 - HA ILE 136 OK 13 68 - 19 - ~11044=3, ~11023=3...(4) HG3 PRO 12 - HA ILE 136 OK 12 81 - 15 - 1.8/4593=1 HG2 PRO 12 - HA ILE 136 OK 11 68 - 16 - 4593=1, 1.8/4593=1 HB2 LYS 24 - HA ILE 136 lone 3 77 - 4 - HB2 GLN 62 - HA ILE 136 lone 3 68 - 5 - Peak 4594 from cnoeabs.peaks (0.88, 3.71, 64.37 ppm; 2.81 A): 3 out of 6 assignments used, quality = 0.96: * QG2 ILE 136 + HA ILE 136 OK 90 100 - 90 - 3.2=68, 2.3/4595=14...(26) QG2 ILE 101 + HA ILE 136 OK 38 100 - 38 - 4606/3.0=5, 7748/2.9=4...(11) QD1 ILE 101 + HA ILE 136 OK 36 100 - 36 - 4606/3.0=4, 7748/2.9=4...(11) QD1 LEU 97 - HA ILE 136 OK 18 100 - 18 - 4606/3.0=2, 7748/2.9=2...(6) QG2 VAL 80 - HA ILE 136 OK 11 81 - 14 - 7748/2.9=2, 4606/3.0=1...(4) HB3 LEU 42 - HA ILE 136 lone 3 68 - 4 - Peak 4595 from cnoeabs.peaks (0.99, 3.71, 64.37 ppm; 3.29 A): 2 out of 3 assignments used, quality = 0.96: * HG12 ILE 136 + HA ILE 136 OK 93 100 - 93 - 3.7=69, 2.3/4612=19...(21) QD1 LEU 116 + HA ILE 136 OK 40 100 - 40 - 4615/3.2=9, 10227/4.2=8...(8) HB2 LEU 39 - HA ILE 136 OK 22 85 - 26 - 4615/3.2=5, 4607/3.0=4...(9) Peak 4596 from cnoeabs.peaks (1.65, 3.71, 64.37 ppm; 3.35 A): 2 out of 12 assignments used, quality = 0.98: * HG13 ILE 136 + HA ILE 136 OK 95 100 - 95 - 3.7=72, 1.8/4595=23...(21) HG2 ARG 140 + HA ILE 136 OK 51 100 - 51 - 11574/3.2=8, ~11575=5...(20) HB2 PRO 57 - HA ILE 136 OK 37 99 - 38 - 8263/3.2=7, 2.3/9693=5...(15) HG2 ARG 124 - HA ILE 136 OK 31 89 - 35 - 3.0/10748=4, 4230/2.9=3...(20) HB2 MET 68 - HA ILE 136 OK 27 92 - 30 - 1965/3.0=4, ~8436=3...(15) HD3 LYS 93 - HA ILE 136 OK 25 100 - 25 - 4628=3, 4631/3.7=3...(9) HB VAL 71 - HA ILE 136 OK 24 77 - 31 - 2.1/9681=5, ~9683=3...(12) HG2 ARG 89 - HA ILE 136 OK 22 77 - 29 - 10372/5.0=6, 2.8/4593=2...(13) HB2 LYS 114 - HA ILE 136 OK 11 100 - 11 - 4.9/4600=2, 10365/4600=1 HB2 LEU 95 - HA ILE 136 poor 8 77 - 10 - HD2 LYS 48 - HA ILE 136 lone 6 77 - 8 - HB2 ARG 145 - HA ILE 136 lone 5 62 - 8 - 3.0/10390=4 Peak 4597 from cnoeabs.peaks (0.76, 3.71, 64.37 ppm; 3.45 A): 3 out of 5 assignments used, quality = 0.98: * QD1 ILE 136 + HA ILE 136 OK 92 100 - 92 - 4.2=57, 2.1/4595=22...(20) QD2 LEU 72 + HA ILE 136 OK 49 98 - 50 - 4617/3.2=6, 4609/3.0=6...(19) QD1 LEU 72 + HA ILE 136 OK 46 100 - 46 - 4617/3.2=6, 4609/3.0=6...(17) QG2 VAL 73 - HA ILE 136 OK 38 100 - 38 - 2184/2.9=5, 4617/3.2=5...(12) QD1 LEU 108 - HA ILE 136 OK 20 85 - 23 - 4617/3.2=2, 4609/3.0=2...(9) Peak 4598 from cnoeabs.peaks (8.45, 3.71, 64.37 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 137 + HA ILE 136 OK 100 100 - 100 - 3.6=100 H GLY 15 - HA ILE 136 OK 33 89 - 37 - 4610/3.0=7, 7752/2.9=7...(8) Peak 4599 from cnoeabs.peaks (7.93, 3.71, 64.37 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.86: * H ASN 139 + HA ILE 136 OK 86 100 - 86 - 7787=27, 7788/3.6=24...(15) Peak 4600 from cnoeabs.peaks (2.82, 3.71, 64.37 ppm; 3.79 A): 3 out of 5 assignments used, quality = 0.79: * HB2 ASN 139 + HA ILE 136 OK 73 100 - 73 - 4687=26, 1.8/4695=21...(12) HE3 LYS 114 + HA ILE 136 OK 13 100 - 13 - 7795/4599=2, 10336/3.2=2...(6) HB2 ASP 40 + HA ILE 136 OK 12 99 - 12 - 4687=3, 7795/4599=2...(4) HB3 ASN 54 - HA ILE 136 lone 3 92 - 3 - HB2 ASN 130 - HA ILE 136 lone 2 100 - 2 - Peak 4601 from cnoeabs.peaks (2.80, 3.71, 64.37 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.78: * HB3 ASN 139 + HA ILE 136 OK 72 100 - 72 - 4695=26, 4.0/4599=20...(11) HB3 ASP 41 + HA ILE 136 OK 20 98 - 21 - 10462/3.2=5, 10752/4.2=3...(9) HB2 ASN 128 - HA ILE 136 lone 5 94 - 5 - 10336/3.2=2 Peak 4602 from cnoeabs.peaks (3.83, 1.91, 37.90 ppm; 3.75 A): 4 out of 8 assignments used, quality = 0.97: * HA GLN 133 + HB ILE 136 OK 72 100 - 72 - 9618/2.5=18, 9601/4.6=16...(14) HD2 PRO 118 + HB ILE 136 OK 58 99 - 59 - ~9667=8, ~9667=7...(27) HA MET 68 + HB ILE 136 OK 53 89 - 60 - 8436/2.1=12, 8437/2.5=7...(26) HA ALA 104 + HB ILE 136 OK 40 94 - 43 - 10328/2.1=6, 4602=6...(12) HA LEU 66 - HB ILE 136 OK 38 89 - 43 - 9666/2.5=7, 10328/2.1=7...(14) HB2 SER 100 - HB ILE 136 OK 29 100 - 29 - ~10473=4, 4602=4...(12) HB2 SER 127 - HB ILE 136 OK 27 85 - 31 - 9520/2.1=5, 9666/2.5=5...(9) HA3 GLY 50 - HB ILE 136 lone 2 77 - 3 - Peak 4603 from cnoeabs.peaks (8.22, 1.91, 37.90 ppm; 3.33 A): 1 out of 5 assignments used, quality = 0.96: * H ILE 136 + HB ILE 136 OK 96 100 - 96 - 3.9=61, 3.4/4610=17...(35) H THR 74 - HB ILE 136 OK 39 98 - 40 - 4635/2.5=7, 4611/2.1=7...(15) H ARG 124 - HB ILE 136 OK 37 99 - 38 - 4611/2.1=8, 4635/2.5=6...(9) H GLY 125 - HB ILE 136 poor 10 77 - 12 - 7559/3.9=2, 4611/2.1=2...(7) H MET 11 - HB ILE 136 lone 7 89 - 7 - 4635/2.5=1, 4611/2.1=1 Peak 4604 from cnoeabs.peaks (3.71, 1.91, 37.90 ppm; 3.75 A): 3 out of 5 assignments used, quality = 1.00: * HA ILE 136 + HB ILE 136 OK 100 100 - 100 - 3.0=100 HA THR 107 + HB ILE 136 OK 55 99 - 56 - 4604=9, 4636/2.5=8...(18) HA ILE 91 + HB ILE 136 OK 54 96 - 57 - 4612/2.1=8, 4636/2.5=8...(23) HB THR 74 - HB ILE 136 OK 31 92 - 34 - 4604=5, 4.0/4603=5...(12) HA LEU 108 - HB ILE 136 OK 18 68 - 26 - 4636/2.5=3, 4612/2.1=3...(15) Peak 4605 from cnoeabs.peaks (1.91, 1.91, 37.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 136 + HB ILE 136 OK 100 100 - 100 Peak 4606 from cnoeabs.peaks (0.88, 1.91, 37.90 ppm; 2.93 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HB ILE 136 OK 57 100 - 57 - 4606=7, 4638/2.5=7...(23) QD1 ILE 101 + HB ILE 136 OK 54 100 - 54 - 4606=7, 4638/2.5=6...(28) QD1 LEU 97 - HB ILE 136 OK 29 100 - 29 - 4606=4, 4638/2.5=4...(12) QG2 VAL 80 - HB ILE 136 OK 18 81 - 23 - 4638/2.5=3, 4606=2...(6) HB3 LEU 42 - HB ILE 136 lone 4 68 - 6 - Peak 4607 from cnoeabs.peaks (0.99, 1.91, 37.90 ppm; 3.87 A): 3 out of 3 assignments used, quality = 1.00: * HG12 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.9=100 QD1 LEU 116 + HB ILE 136 OK 74 100 - 74 - 10227/2.5=18, 4607=15...(18) HB2 LEU 39 + HB ILE 136 OK 48 85 - 56 - 4615/2.1=8, 4639/2.5=7...(18) Peak 4608 from cnoeabs.peaks (1.65, 1.91, 37.90 ppm; 3.70 A): 6 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.9=100 HG2 ARG 140 + HB ILE 136 OK 77 100 - 77 - 11574/2.1=12, ~11575=8...(38) HB2 PRO 57 + HB ILE 136 OK 66 99 - 67 - 8263/2.1=10, 2.3/9691=7...(32) HB2 MET 68 + HB ILE 136 OK 61 92 - 66 - 1965=8, ~8436=7...(36) HB VAL 71 + HB ILE 136 OK 55 77 - 72 - 2.1/8514=7, ~9685=7...(31) HD3 LYS 93 + HB ILE 136 OK 48 100 - 48 - 4631/2.9=5, 4633/2.5=4...(24) HG2 ARG 124 - HB ILE 136 OK 44 89 - 49 - ~9668=5, ~10333=4...(23) HG2 ARG 89 - HB ILE 136 OK 39 77 - 50 - 1.8/2884=4, 3.0/2900=4...(27) HB2 LEU 95 - HB ILE 136 OK 18 77 - 23 - ~10759=2, ~11135=2...(9) HB2 LYS 114 - HB ILE 136 OK 13 100 - 13 - 4616/2.1=1, ~10332=1 HD2 LYS 48 - HB ILE 136 OK 13 77 - 16 - 1.8/4608=1, 4631/2.9=1 HB2 ARG 145 - HB ILE 136 poor 7 62 - 12 - ~10390=4, ~10335=1 Peak 4609 from cnoeabs.peaks (0.76, 1.91, 37.90 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.5=100 QD1 LEU 72 + HB ILE 136 OK 63 100 - 63 - 4609=9, 4617/2.1=8...(34) QD2 LEU 72 + HB ILE 136 OK 62 98 - 64 - 4617/2.1=8, 2.1/4609=7...(33) QG2 VAL 73 - HB ILE 136 OK 40 100 - 40 - 4609=6, 4617/2.1=6...(14) QD1 LEU 108 - HB ILE 136 OK 24 85 - 28 - 4609=4, 4617/2.1=3...(9) Peak 4610 from cnoeabs.peaks (8.45, 1.91, 37.90 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.95: * H ASP 137 + HB ILE 136 OK 95 100 - 95 - 4.6=45, 4618/2.1=28...(32) H GLY 15 - HB ILE 136 OK 29 89 - 33 - 4618/2.1=8, 4642/2.5=7...(6) Peak 4611 from cnoeabs.peaks (8.22, 0.88, 16.73 ppm; 3.20 A): 2 out of 5 assignments used, quality = 0.97: * H ILE 136 + QG2 ILE 136 OK 94 100 - 94 - 4.0=51, 7749/2.3=18...(35) H ARG 124 + QG2 ILE 136 OK 46 99 - 47 - 4.8/9687=11, 4603/2.1=6...(14) H THR 74 - QG2 ILE 136 OK 40 98 - 41 - 4603/2.1=6, 4635/3.0=5...(13) H GLY 125 - QG2 ILE 136 OK 11 77 - 15 - 4.6/10661=2, 7559/4.0=2...(9) H MET 11 - QG2 ILE 136 lone 7 89 - 7 - 4603/2.1=1, 4619/2.3=1 Peak 4612 from cnoeabs.peaks (3.71, 0.88, 16.73 ppm; 2.81 A): 3 out of 5 assignments used, quality = 0.95: * HA ILE 136 + QG2 ILE 136 OK 90 100 - 90 - 3.2=69, 4595/2.3=14...(26) HA ILE 91 + QG2 ILE 136 OK 32 96 - 33 - 4604/2.1=4, 4636/3.0=4...(11) HA THR 107 + QG2 ILE 136 OK 30 99 - 31 - 3.2/9245=5, 4604/2.1=4...(12) HB THR 74 - QG2 ILE 136 OK 16 92 - 18 - 4.0/4611=3, 4604/2.1=2...(8) HA LEU 108 - QG2 ILE 136 OK 10 68 - 15 - 4636/3.0=1, 4604/2.1=1...(4) Peak 4613 from cnoeabs.peaks (1.91, 0.88, 16.73 ppm; 2.69 A): 2 out of 16 assignments used, quality = 1.00: * HB ILE 136 + QG2 ILE 136 OK 100 100 - 100 - 2.1=100 HB3 LEU 132 + QG2 ILE 136 OK 50 77 - 65 - 4613=8, 3.2/9683=8...(40) HG13 ILE 83 - QG2 ILE 136 OK 34 100 - 34 - ~10021=4, 4613=4...(15) HB2 PRO 118 - QG2 ILE 136 OK 34 89 - 38 - 4613=3, 2.3/10329=3...(23) HB ILE 101 - QG2 ILE 136 OK 32 81 - 40 - 3331=5, 3.0/3347=3...(22) QE MET 68 - QG2 ILE 136 OK 29 98 - 30 - 8424/3.0=5, 1993/2.3=3...(9) HB2 ARG 140 - QG2 ILE 136 OK 28 62 - 46 - 2.9/11575=5, 3.0/10329=4...(22) HB3 ARG 89 - QG2 ILE 136 OK 23 77 - 30 - 3.5/10334=3, 1.8/4613=3...(8) HB3 LEU 69 - QG2 ILE 136 OK 20 94 - 21 - 1.8/10338=2, 3.0/10963=2...(6) HB2 LYS 86 - QG2 ILE 136 OK 14 99 - 14 - ~9672=3, ~9672=1 HB3 GLN 111 - QG2 ILE 136 OK 13 68 - 19 - 1.8/11044=4, ~10341=2...(6) HB2 MET 59 - QG2 ILE 136 OK 13 94 - 14 - 4.2/10661=2, 4.8/8319=1 HG3 PRO 12 - QG2 ILE 136 OK 12 81 - 15 - HG2 PRO 12 - QG2 ILE 136 OK 10 68 - 15 - 4613=2 HB2 GLN 62 - QG2 ILE 136 lone 3 68 - 4 - HB2 LYS 24 - QG2 ILE 136 lone 3 77 - 4 - Peak 4614 from cnoeabs.peaks (0.88, 0.88, 16.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 136 + QG2 ILE 136 OK 100 100 - 100 Peak 4615 from cnoeabs.peaks (0.99, 0.88, 16.73 ppm; 2.81 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 136 + QG2 ILE 136 OK 100 100 - 100 - 2.3=100 QD1 LEU 116 + QG2 ILE 136 OK 47 100 - 47 - 10227/3.0=8, 4607/2.1=6...(17) HB2 LEU 39 - QG2 ILE 136 OK 30 85 - 35 - 1.8/10338=5, 4607/2.1=4...(18) Peak 4616 from cnoeabs.peaks (1.65, 0.88, 16.73 ppm; 3.07 A): 3 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + QG2 ILE 136 OK 100 100 - 100 - 2.3=100 HG2 ARG 140 + QG2 ILE 136 OK 63 100 - 64 - 1.8/11575=9, 11574=6...(24) HB2 PRO 57 + QG2 ILE 136 OK 51 99 - 52 - 8263=7, 2.3/10631=5...(26) HB VAL 71 - QG2 ILE 136 OK 45 77 - 58 - 2.1/9683=8, ~8517=4...(32) HB2 MET 68 - QG2 ILE 136 OK 42 92 - 46 - 3.0/8436=7, 1965/2.1=4...(28) HD3 LYS 93 - QG2 ILE 136 OK 39 100 - 39 - 4631/2.3=4, 4630=4...(16) HG2 ARG 124 - QG2 ILE 136 OK 35 89 - 40 - 3.0/10334=5, 3.0/10333=4...(17) HG2 ARG 89 - QG2 ILE 136 OK 31 77 - 40 - 3.0/10334=5, 2.8/4613=2...(18) HB2 LYS 114 - QG2 ILE 136 OK 14 100 - 14 - 4.9/10336=1 HB2 LEU 95 - QG2 ILE 136 OK 11 77 - 15 - 3.0/10329=2 HD2 LYS 48 - QG2 ILE 136 poor 9 77 - 12 - HB2 ARG 145 - QG2 ILE 136 poor 7 62 - 11 - ~10390=2, 3.4/10335=1 Peak 4617 from cnoeabs.peaks (0.76, 0.88, 16.73 ppm; 2.50 A): 5 out of 5 assignments used, quality = 0.94: * QD1 ILE 136 + QG2 ILE 136 OK 78 100 - 78 - 3.0=55, 4636/3.2=6...(25) QD2 LEU 72 + QG2 ILE 136 OK 37 98 - 37 - 4609/2.1=4, 4625/2.3=4...(16) QD1 LEU 72 + QG2 ILE 136 OK 35 100 - 35 - 4609/2.1=4, 4625/2.3=4...(13) QG2 VAL 73 + QG2 ILE 136 OK 24 100 - 24 - 4625/2.3=3, 4609/2.1=3...(8) QD1 LEU 108 + QG2 ILE 136 OK 13 85 - 15 - 4609/2.1=2, 4625/2.3=1 Peak 4618 from cnoeabs.peaks (8.45, 0.88, 16.73 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.95: * H ASP 137 + QG2 ILE 136 OK 95 100 - 95 - 4.3=48, 4610/2.1=23...(34) H GLY 15 - QG2 ILE 136 OK 27 89 - 31 - 4610/2.1=7, 4642/3.0=5...(6) Peak 4619 from cnoeabs.peaks (8.22, 0.99, 28.66 ppm; 3.71 A): 2 out of 5 assignments used, quality = 0.99: * H ILE 136 + HG12 ILE 136 OK 98 100 - 98 - 4.5=56, 2.9/4595=21...(33) H THR 74 + HG12 ILE 136 OK 45 98 - 46 - 4635/2.1=9, 4611/2.3=8...(15) H ARG 124 - HG12 ILE 136 OK 42 99 - 43 - 4611/2.3=9, 4635/2.1=8...(11) H GLY 125 - HG12 ILE 136 OK 11 77 - 15 - 4627/1.8=2, 4611/2.3=2...(7) H MET 11 - HG12 ILE 136 lone 8 89 - 9 - 4.7/10747=2, 4635/2.1=2...(5) Peak 4620 from cnoeabs.peaks (3.71, 0.99, 28.66 ppm; 3.63 A): 1 out of 5 assignments used, quality = 0.99: * HA ILE 136 + HG12 ILE 136 OK 99 100 - 99 - 3.7=92, 4612/2.3=22...(22) HA THR 107 - HG12 ILE 136 OK 42 99 - 42 - 4636/2.1=8, 4612/2.3=7...(12) HA ILE 91 - HG12 ILE 136 OK 40 96 - 42 - 4636/2.1=8, 4612/2.3=7...(15) HB THR 74 - HG12 ILE 136 OK 22 92 - 24 - 4636/2.1=5, 4.0/4619=5...(6) HA LEU 108 - HG12 ILE 136 OK 15 68 - 22 - 4636/2.1=3, 4612/2.3=2...(11) Peak 4621 from cnoeabs.peaks (1.91, 0.99, 28.66 ppm; 3.80 A): 7 out of 16 assignments used, quality = 1.00: * HB ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 2.9=100 HB3 LEU 132 + HG12 ILE 136 OK 72 77 - 93 - ~9686=15, ~9686=12...(47) HG13 ILE 83 + HG12 ILE 136 OK 54 100 - 54 - 2.1/10021=16, ~10023=5...(21) HB2 PRO 118 + HG12 ILE 136 OK 54 89 - 61 - ~9667=7, ~9667=6...(31) HB ILE 101 + HG12 ILE 136 OK 52 81 - 65 - 2.1/4622=9, 3.2/4622=6...(34) QE MET 68 + HG12 ILE 136 OK 51 98 - 52 - 8424/2.1=12, 1993/1.8=6...(23) HB2 ARG 140 + HG12 ILE 136 OK 46 62 - 74 - ~11575=6, ~11574=5...(43) HB3 LEU 69 - HG12 ILE 136 OK 38 94 - 41 - ~9688=4, ~9688=3...(20) HB3 ARG 89 - HG12 ILE 136 OK 36 77 - 46 - ~2862=4, 2870/1.8=3...(28) HB3 GLN 111 - HG12 ILE 136 OK 28 68 - 42 - ~10341=6, ~10466=5...(19) HB2 LYS 86 - HG12 ILE 136 OK 27 99 - 27 - ~9672=8, ~9672=4...(6) HG3 PRO 12 - HG12 ILE 136 OK 21 81 - 26 - ~10759=3, ~11135=3...(7) HG2 PRO 12 - HG12 ILE 136 OK 18 68 - 27 - ~10759=3, ~11135=3...(7) HB2 MET 59 - HG12 ILE 136 OK 17 94 - 18 - ~11135=2, ~1611=1...(8) HB2 LYS 24 - HG12 ILE 136 lone 5 77 - 6 - ~9667=1 HB2 GLN 62 - HG12 ILE 136 lone 3 68 - 4 - Peak 4622 from cnoeabs.peaks (0.88, 0.99, 28.66 ppm; 3.37 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 2.3=100 QG2 ILE 101 + HG12 ILE 136 OK 61 100 - 61 - 4638/2.1=9, 4606/2.9=7...(40) QD1 ILE 101 + HG12 ILE 136 OK 55 100 - 55 - 4638/2.1=8, 4606/2.9=6...(29) QD1 LEU 97 - HG12 ILE 136 OK 31 100 - 30 - 4638/2.1=5, 4606/2.9=3...(12) QG2 VAL 80 - HG12 ILE 136 OK 21 81 - 26 - 4638/2.1=4, 8753/10964=2...(12) HB3 LEU 42 - HG12 ILE 136 lone 6 68 - 9 - Peak 4623 from cnoeabs.peaks (0.99, 0.99, 28.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 136 + HG12 ILE 136 OK 100 100 - 100 Peak 4624 from cnoeabs.peaks (1.65, 0.99, 28.66 ppm; 3.09 A): 4 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 1.8=100 HG2 ARG 140 + HG12 ILE 136 OK 59 100 - 60 - 11574/2.3=8, ~11575=5...(31) HB2 PRO 57 + HG12 ILE 136 OK 51 99 - 52 - 8263/2.3=6, ~9672=4...(27) HB VAL 71 + HG12 ILE 136 OK 45 77 - 59 - 2.1/8517=6, ~9685=5...(27) HB2 MET 68 - HG12 ILE 136 OK 44 92 - 48 - ~8436=4, 4640/2.1=4...(30) HD3 LYS 93 - HG12 ILE 136 OK 41 100 - 41 - 4631=6, 3.0/10339=4...(20) HG2 ARG 124 - HG12 ILE 136 OK 32 89 - 36 - ~9668=3, ~9668=3...(19) HG2 ARG 89 - HG12 ILE 136 OK 26 77 - 34 - ~2886=2, ~10334=2...(18) HB2 LEU 95 - HG12 ILE 136 OK 12 77 - 15 - ~10759=1, ~11135=1, ~3137=1 HB2 LYS 114 - HG12 ILE 136 lone 10 100 - 10 - HD2 LYS 48 - HG12 ILE 136 poor 10 77 - 12 - 1.8/4631=1, 4631=1 HB2 ARG 145 - HG12 ILE 136 lone 4 62 - 7 - Peak 4625 from cnoeabs.peaks (0.76, 0.99, 28.66 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 2.1=100 QD2 LEU 72 + HG12 ILE 136 OK 54 98 - 56 - 4617/2.3=8, 4633/1.8=6...(28) QD1 LEU 72 + HG12 ILE 136 OK 53 100 - 53 - 4617/2.3=7, 4633/1.8=6...(26) QG2 VAL 73 - HG12 ILE 136 OK 35 100 - 35 - 4617/2.3=5, 4609/2.9=4...(13) QD1 LEU 108 - HG12 ILE 136 OK 18 85 - 21 - 4617/2.3=3, 4609/2.9=2...(10) Peak 4626 from cnoeabs.peaks (8.45, 0.99, 28.66 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.99: * H ASP 137 + HG12 ILE 136 OK 99 100 - 99 - 4618/2.3=38, 4642/2.1=35...(30) H GLY 15 - HG12 ILE 136 OK 44 89 - 49 - 4642/2.1=12, 4618/2.3=11...(7) Peak 4627 from cnoeabs.peaks (8.22, 1.65, 28.66 ppm; 3.55 A): 1 out of 10 assignments used, quality = 0.97: * H ILE 136 + HG13 ILE 136 OK 97 100 - 97 - 4.5=50, 7749/1.8=25...(32) H ARG 124 - HG13 ILE 136 OK 44 99 - 45 - 4611/2.3=8, 4635/2.1=8...(13) H THR 74 - HG13 ILE 136 OK 42 98 - 43 - 4635/2.1=8, 4619/1.8=8...(12) H ILE 136 - HD3 LYS 93 OK 21 82 - 25 - 7750=4, 3.4/4634=3...(10) H GLY 125 - HG13 ILE 136 OK 14 77 - 18 - 4611/2.3=2, 4635/2.1=2...(11) H MET 11 - HG13 ILE 136 lone 8 89 - 9 - 4635/2.1=2, 4619/1.8=1...(5) H ARG 124 - HD3 LYS 93 lone 6 79 - 7 - H THR 74 - HD3 LYS 93 lone 5 78 - 7 - H GLY 125 - HD3 LYS 93 lone 2 56 - 3 - H MET 11 - HD3 LYS 93 lone 1 67 - 1 - Peak 4628 from cnoeabs.peaks (3.71, 1.65, 28.66 ppm; 3.66 A): 1 out of 10 assignments used, quality = 0.99: * HA ILE 136 + HG13 ILE 136 OK 99 100 - 99 - 3.7=94, 4595/1.8=27...(21) HA ILE 91 - HG13 ILE 136 OK 44 96 - 46 - 4636/2.1=8, 4612/2.3=7...(17) HA THR 107 - HG13 ILE 136 OK 44 99 - 45 - 4636/2.1=8, 4620/1.8=7...(13) HA ILE 91 - HD3 LYS 93 OK 25 75 - 33 - 7082/6.2=6, 8965/4.9=5...(12) HA ILE 136 - HD3 LYS 93 OK 24 82 - 29 - 4596=4, 3.7/4631=4...(9) HB THR 74 - HG13 ILE 136 OK 23 92 - 25 - 4636/2.1=5, 4612/2.3=4...(6) HA LEU 108 - HG13 ILE 136 OK 15 68 - 22 - 4636/2.1=3, 4620/1.8=3...(11) HA THR 107 - HD3 LYS 93 lone 5 79 - 7 - 9241/9289=2 HB THR 74 - HD3 LYS 93 lone 3 70 - 4 - HA LEU 108 - HD3 LYS 93 lone 3 49 - 5 - 10177/9289=2 Peak 4629 from cnoeabs.peaks (1.91, 1.65, 28.66 ppm; 2.71 A): 2 out of 32 assignments used, quality = 0.96: * HB ILE 136 + HG13 ILE 136 OK 91 100 - 91 - 2.9=79, ~4617=6, ~4595=6...(20) HB3 LEU 132 + HG13 ILE 136 OK 51 77 - 66 - ~9686=6, 3.2/10422=5...(34) QE MET 68 - HG13 ILE 136 OK 31 98 - 32 - 8424/2.1=8, 1993=5...(11) HB2 PRO 118 - HG13 ILE 136 OK 30 89 - 34 - ~9667=3, ~9667=3...(13) HG13 ILE 83 - HG13 ILE 136 OK 29 100 - 29 - ~10021=5, 2.1/10023=4...(13) HB ILE 101 - HG13 ILE 136 OK 29 81 - 36 - 2.1/4630=3, 3334/2.3=3...(15) HB2 ARG 140 - HG13 ILE 136 OK 28 62 - 46 - 2.9/4745=3, 1.8/4727=3...(24) HB3 ARG 89 - HG13 ILE 136 OK 23 77 - 30 - 1.8/2862=3, 2870=3...(13) HB2 LYS 24 - HD3 LYS 93 OK 23 56 - 40 - ~10887=3, ~3070=3...(21) HB ILE 136 - HD3 LYS 93 OK 22 82 - 26 - 2.9/4631=2, 2.5/4633=2...(9) HB3 LEU 69 - HG13 ILE 136 OK 20 94 - 21 - 3.2/9934=2, ~9688=2...(9) HB3 GLN 111 - HG13 ILE 136 OK 15 68 - 23 - 3.0/11485=3, ~10341=3...(8) HB2 LYS 86 - HG13 ILE 136 OK 14 99 - 14 - ~9672=4, ~9672=2, 4637/2.1=1 HB3 ARG 89 - HD3 LYS 93 OK 14 56 - 24 - 1.8/2862=3, 2870=2...(8) HG3 PRO 12 - HG13 ILE 136 OK 11 81 - 13 - ~10759=1, ~11135=1 HB2 MET 59 - HG13 ILE 136 lone 9 94 - 10 - HG2 PRO 12 - HG13 ILE 136 poor 9 68 - 13 - ~10759=1, ~11135=1 HB2 ARG 140 - HD3 LYS 93 poor 8 45 - 18 - 1.8/4727=2, ~3070=1...(4) HB ILE 101 - HD3 LYS 93 poor 7 60 - 12 - 3.0/11215=1, 2.1/4630=1 HB2 LYS 86 - HD3 LYS 93 lone 6 79 - 8 - 2687/1.8=2 HG13 ILE 83 - HD3 LYS 93 lone 6 81 - 8 - 2.1/10023=1 HB3 LEU 132 - HD3 LYS 93 lone 4 56 - 7 - 3.2/10422=1 HB3 LEU 69 - HD3 LYS 93 lone 4 73 - 5 - 3.2/9934=1 QE MET 68 - HD3 LYS 93 lone 4 78 - 5 - HB2 LYS 24 - HG13 ILE 136 lone 3 77 - 4 - HB3 GLN 111 - HD3 LYS 93 lone 2 49 - 5 - HB2 PRO 118 - HD3 LYS 93 lone 2 67 - 2 - HB2 GLN 62 - HG13 ILE 136 lone 1 68 - 2 - HB2 GLN 62 - HD3 LYS 93 lone 1 49 - 2 - HB2 MET 59 - HD3 LYS 93 lone 1 73 - 1 - HG3 PRO 12 - HD3 LYS 93 lone 1 60 - 1 - HG2 PRO 12 - HD3 LYS 93 lone 0 49 - 1 - Peak 4630 from cnoeabs.peaks (0.88, 1.65, 28.66 ppm; 3.41 A): 3 out of 12 assignments used, quality = 1.00: * QG2 ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 2.3=100 QG2 ILE 101 + HG13 ILE 136 OK 62 100 - 62 - 4638/2.1=9, 4622/1.8=8...(36) QD1 ILE 101 + HG13 ILE 136 OK 59 100 - 60 - 4638/2.1=8, 4622/1.8=7...(30) QG2 ILE 136 - HD3 LYS 93 OK 39 82 - 47 - 2.3/4631=5, 4616=4...(24) QD1 LEU 97 - HG13 ILE 136 OK 33 100 - 33 - 4638/2.1=5, 4622/1.8=4...(14) QG2 ILE 101 - HD3 LYS 93 OK 22 82 - 27 - 3.2/11215=2, 3338/3.4=2...(6) QG2 VAL 80 - HG13 ILE 136 OK 19 81 - 24 - 4638/2.1=4, 4622/1.8=3...(10) QD1 LEU 97 - HD3 LYS 93 OK 16 81 - 19 - 10132/3.4=3, 3227/1.8=3...(4) QD1 ILE 101 - HD3 LYS 93 OK 14 81 - 18 - 3362/3.4=2, 4.1/11215=2 QG2 VAL 80 - HD3 LYS 93 poor 8 60 - 13 - 8753/3.0=2, ~3069=1 HB3 LEU 42 - HG13 ILE 136 lone 6 68 - 9 - HB3 LEU 42 - HD3 LYS 93 lone 2 49 - 4 - Peak 4631 from cnoeabs.peaks (0.99, 1.65, 28.66 ppm; 3.14 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 1.8=100 QD1 LEU 116 + HG13 ILE 136 OK 57 100 - 57 - 10227/2.1=13...(15) HB2 LEU 39 - HG13 ILE 136 OK 37 85 - 43 - 4615/2.3=6, 4639/2.1=6...(17) HG12 ILE 136 - HD3 LYS 93 OK 34 82 - 42 - 4624=5, 10339/3.0=4...(20) QD1 LEU 116 - HD3 LYS 93 OK 23 82 - 28 - 10229/3.4=4, 3890/3.0=2...(11) HB2 LEU 39 - HD3 LYS 93 lone 3 64 - 5 - ~10977=1 Peak 4632 from cnoeabs.peaks (1.65, 1.65, 28.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 136 + HG13 ILE 136 OK 100 100 - 100 HD3 LYS 93 + HD3 LYS 93 OK 81 81 - 100 Peak 4633 from cnoeabs.peaks (0.76, 1.65, 28.66 ppm; 3.22 A): 3 out of 10 assignments used, quality = 1.00: * QD1 ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 2.1=100 QD2 LEU 72 + HG13 ILE 136 OK 56 98 - 58 - 4617/2.3=7, 4625/1.8=7...(27) QD1 LEU 72 + HG13 ILE 136 OK 55 100 - 55 - 4617/2.3=7, 4625/1.8=7...(26) QD1 ILE 136 - HD3 LYS 93 OK 36 82 - 44 - 9689/3.0=4, 2.1/4631=4...(21) QG2 VAL 73 - HG13 ILE 136 OK 35 100 - 35 - 4617/2.3=5, 4625/1.8=5...(12) QD1 LEU 108 - HG13 ILE 136 OK 19 85 - 22 - 4617/2.3=3, 4625/1.8=3...(8) QG2 VAL 73 - HD3 LYS 93 OK 13 82 - 15 - 8596/3.0=6, 9922/6.2=1...(4) QD1 LEU 72 - HD3 LYS 93 OK 11 82 - 13 - 10173/3.0=4, 9035/6.2=2...(4) QD2 LEU 72 - HD3 LYS 93 poor 8 78 - 11 - ~10173=2, 9035/6.2=2 QD1 LEU 108 - HD3 LYS 93 lone 5 64 - 8 - 10173/3.0=2, ~8660=1 Peak 4634 from cnoeabs.peaks (8.45, 1.65, 28.66 ppm; 4.17 A): 1 out of 4 assignments used, quality = 0.97: * H ASP 137 + HG13 ILE 136 OK 97 100 - 97 - 4618/2.3=33, 4642/2.1=29...(27) H GLY 15 - HG13 ILE 136 OK 37 89 - 42 - 4642/2.1=10, 4618/2.3=10...(6) H ASP 137 - HD3 LYS 93 OK 23 82 - 28 - 7764=4, 3.4/7750=3...(14) H GLY 15 - HD3 LYS 93 lone 2 67 - 3 - Peak 4635 from cnoeabs.peaks (8.22, 0.76, 13.00 ppm; 3.29 A): 2 out of 5 assignments used, quality = 0.96: * H ILE 136 + QD1 ILE 136 OK 93 100 - 93 - 4.8=32, 7749/2.1=20...(35) H THR 74 + QD1 ILE 136 OK 45 98 - 46 - 6779=8, 4603/2.5=6...(15) H ARG 124 - QD1 ILE 136 OK 41 99 - 41 - 4611/3.0=6, 4603/2.5=6...(14) H GLY 125 - QD1 ILE 136 OK 11 77 - 14 - 4.6/10341=3, 4627/2.1=2...(6) H MET 11 - QD1 ILE 136 lone 8 89 - 9 - 4.7/9669=2, 4619/2.1=1...(4) Peak 4636 from cnoeabs.peaks (3.71, 0.76, 13.00 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.97: * HA ILE 136 + QD1 ILE 136 OK 89 100 - 89 - 4.2=50, 4595/2.1=21...(20) HA ILE 91 + QD1 ILE 136 OK 48 96 - 49 - 4636=9, 4604/2.5=5...(21) HA THR 107 + QD1 ILE 136 OK 44 99 - 44 - 4636=10, 4620/2.1=6...(14) HB THR 74 - QD1 ILE 136 OK 24 92 - 26 - 4636=6, 4.0/4635=4...(7) HA LEU 108 - QD1 ILE 136 OK 17 68 - 25 - 2.8/7276=2, 3.6/7290=2...(12) Peak 4637 from cnoeabs.peaks (1.91, 0.76, 13.00 ppm; 2.91 A): 2 out of 16 assignments used, quality = 1.00: * HB ILE 136 + QD1 ILE 136 OK 100 100 - 100 - 2.5=100 HB3 LEU 132 + QD1 ILE 136 OK 57 77 - 74 - 3.2/9686=18, 3.2/9685=10...(35) QE MET 68 - QD1 ILE 136 OK 44 98 - 45 - 8424=13, 3.3/8427=5...(14) HG13 ILE 83 - QD1 ILE 136 OK 39 100 - 39 - ~10021=6, 4637=4...(17) HB2 PRO 118 - QD1 ILE 136 OK 36 89 - 40 - 3.0/9667=6, 1.8/9671=3...(21) HB ILE 101 - QD1 ILE 136 OK 35 81 - 44 - 2.1/4638=7, 3.2/4638=5...(19) HB2 ARG 140 - QD1 ILE 136 OK 31 62 - 50 - 2.9/10759=5, 3.4/10504=3...(28) HB3 LEU 69 - QD1 ILE 136 OK 28 94 - 30 - 1.8/9688=4, 3.0/8468=3...(12) HB3 ARG 89 - QD1 ILE 136 OK 24 77 - 31 - 1.8/4637=3, 2870/2.1=2...(12) HB2 LYS 86 - QD1 ILE 136 OK 19 99 - 19 - 1.8/9672=7 HB3 GLN 111 - QD1 ILE 136 OK 18 68 - 27 - 1.8/10341=7, 3.0/10752=3...(8) HG3 PRO 12 - QD1 ILE 136 OK 14 81 - 18 - 2.3/10759=3, 1.8/4637=1 HB2 MET 59 - QD1 ILE 136 OK 14 94 - 15 - 4.2/10466=2, 1.8/11135=1 HG2 PRO 12 - QD1 ILE 136 OK 13 68 - 19 - 2.3/10759=3, 4637=2, 1.8/4637=1 HB2 LYS 24 - QD1 ILE 136 lone 4 77 - 5 - HB2 GLN 62 - QD1 ILE 136 lone 3 68 - 5 - Peak 4638 from cnoeabs.peaks (0.88, 0.76, 13.00 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.93: * QG2 ILE 136 + QD1 ILE 136 OK 79 100 - 79 - 3.0=55, 3.2/4636=6...(26) QG2 ILE 101 + QD1 ILE 136 OK 44 100 - 44 - 4638=10, 4606/2.5=4...(9) QD1 ILE 101 + QD1 ILE 136 OK 40 100 - 41 - 4638=9, 4606/2.5=4...(12) QD1 LEU 97 - QD1 ILE 136 OK 24 100 - 24 - 4638=5, 4606/2.5=2...(5) QG2 VAL 80 - QD1 ILE 136 OK 19 81 - 23 - 4638=4, 8756/9686=4...(5) HB3 LEU 42 - QD1 ILE 136 lone 3 68 - 4 - Peak 4639 from cnoeabs.peaks (0.99, 0.76, 13.00 ppm; 2.71 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 136 + QD1 ILE 136 OK 100 100 - 100 - 2.1=100 QD1 LEU 116 + QD1 ILE 136 OK 53 100 - 53 - 4639=17, 4615/3.0=6...(16) HB2 LEU 39 - QD1 ILE 136 OK 27 85 - 32 - 1.8/9688=6, 4631/2.1=3...(15) Peak 4640 from cnoeabs.peaks (1.65, 0.76, 13.00 ppm; 2.78 A): 2 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + QD1 ILE 136 OK 100 100 - 100 - 2.1=100 HG2 ARG 140 + QD1 ILE 136 OK 52 100 - 52 - 1.8/10759=6, 11574/3.0=5...(19) HB2 PRO 57 - QD1 ILE 136 OK 44 99 - 45 - 4640=5, 8263/3.0=4...(23) HB2 MET 68 - QD1 ILE 136 OK 42 92 - 46 - 2.9/8427=6, 4640=5...(18) HB VAL 71 - QD1 ILE 136 OK 40 77 - 51 - 2.1/9685=10, 4640=5...(25) HD3 LYS 93 - QD1 ILE 136 OK 34 100 - 34 - 4640=4, 4631/2.1=3...(10) HG2 ARG 124 - QD1 ILE 136 OK 27 89 - 31 - 3.0/9668=5, 3.0/10341=4...(12) HG2 ARG 89 - QD1 ILE 136 OK 23 77 - 30 - 4640=3, 2876/2.5=2...(12) HB2 LEU 95 - QD1 ILE 136 OK 11 77 - 14 - 3.0/10759=2, 4640=1 HB2 LYS 114 - QD1 ILE 136 lone 9 100 - 9 - HD2 LYS 48 - QD1 ILE 136 poor 8 77 - 10 - 4640=1 HB2 ARG 145 - QD1 ILE 136 lone 3 62 - 6 - Peak 4641 from cnoeabs.peaks (0.76, 0.76, 13.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 136 + QD1 ILE 136 OK 100 100 - 100 Peak 4642 from cnoeabs.peaks (8.45, 0.76, 13.00 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.96: * H ASP 137 + QD1 ILE 136 OK 96 100 - 96 - 4610/2.5=28, 4618/3.0=26...(35) H GLY 15 - QD1 ILE 136 OK 32 89 - 36 - 4610/2.5=9, 4618/3.0=8...(6) Peak 4643 from cnoeabs.peaks (8.45, 4.46, 56.38 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 137 + HA ASP 137 OK 100 100 - 100 - 2.9=100 H GLY 15 - HA ASP 137 OK 17 89 - 19 - 4652/3.0=3, 4598/5.0=3...(7) Peak 4644 from cnoeabs.peaks (4.46, 4.46, 56.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 137 + HA ASP 137 OK 100 100 - 100 Peak 4645 from cnoeabs.peaks (2.69, 4.46, 56.38 ppm; 3.03 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 137 + HA ASP 137 OK 100 100 - 100 - 3.0=100 HB2 PHE 43 - HA ASP 137 OK 37 89 - 42 - 1.8/4646=8, 4660/3.0=5...(22) HB2 ASP 32 - HA ASP 137 OK 10 100 - 10 - 7778/3.6=2, 4660/3.0=1...(5) HB3 TYR 115 - HA ASP 137 lone 10 98 - 10 - 7778/3.6=2, 7767/2.9=2 HB3 ASP 13 - HA ASP 137 lone 6 85 - 7 - 122/3.6=2, 7767/2.9=1 HB3 ASP 16 - HA ASP 137 lone 4 100 - 4 - HB3 CYS 121 - HA ASP 137 lone 1 68 - 1 - Peak 4646 from cnoeabs.peaks (2.74, 4.46, 56.38 ppm; 3.12 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 137 + HA ASP 137 OK 100 100 - 100 - 3.0=100 HB3 PHE 43 - HA ASP 137 OK 44 100 - 44 - 1.8/4645=9, 985/3.0=6...(21) HB3 ASP 40 - HA ASP 137 lone 8 92 - 9 - 4.4/6297=1, ~875=1, ~875=1 HE2 LYS 114 - HA ASP 137 poor 8 72 - 11 - ~9707=2, 7768/2.9=2...(5) HG3 MET 113 - HA ASP 137 lone 7 100 - 7 - 7768/2.9=1, 7779/3.6=1 HE2 LYS 76 - HA ASP 137 lone 5 77 - 7 - 7768/2.9=1 HE3 LYS 76 - HA ASP 137 lone 4 57 - 6 - 7768/2.9=1 HB2 ASN 96 - HA ASP 137 lone 4 92 - 4 - HB2 ASN 54 - HA ASP 137 lone 2 99 - 2 - Peak 4647 from cnoeabs.peaks (8.14, 4.46, 56.38 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * H SER 138 + HA ASP 137 OK 100 100 - 100 - 3.6=100 H THR 107 - HA ASP 137 OK 35 94 - 37 - 7769/2.9=9, 4662/3.0=6...(11) H HIS 14 - HA ASP 137 OK 17 98 - 17 - 4656/3.0=4, 4.7/4643=3...(5) Peak 4648 from cnoeabs.peaks (7.99, 4.46, 56.38 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.99: * H ARG 140 + HA ASP 137 OK 98 100 - 98 - 7815/3.6=36, ~7770=34...(24) H ALA 104 + HA ASP 137 OK 49 98 - 50 - 2.9/9205=13, 4.6/9209=11...(13) H GLN 47 - HA ASP 137 OK 40 100 - 41 - 6395=6, 4.0/1099=5...(17) H VAL 73 - HA ASP 137 OK 33 100 - 33 - ~7759=6, 3.9/10343=5...(13) H ARG 145 - HA ASP 137 lone 6 68 - 8 - Peak 4649 from cnoeabs.peaks (1.93, 4.46, 56.38 ppm; 3.76 A): 3 out of 14 assignments used, quality = 0.94: * HB2 ARG 140 + HA ASP 137 OK 74 100 - 74 - 4712=22, 1.8/4722=17...(19) HB2 ARG 89 + HA ASP 137 OK 55 96 - 57 - 2.8/10372=19...(17) HB ILE 136 + HA ASP 137 OK 52 62 - 83 - 2.1/9679=21...(22) HG13 ILE 83 - HA ASP 137 OK 25 72 - 34 - 3.2/9705=16, 3.8/10018=6...(6) HB2 PRO 118 - HA ASP 137 OK 16 96 - 17 - 4712=4, 4593/5.0=2...(4) HB3 LEU 132 - HA ASP 137 OK 11 100 - 11 - 4593/5.0=3, 9594/9679=2 HG3 PRO 12 - HA ASP 137 lone 8 99 - 8 - 2.3/9703=2, 2519/9705=1 HG2 PRO 12 - HA ASP 137 lone 8 100 - 8 - 2.3/9703=2 HB2 GLN 62 - HA ASP 137 lone 7 100 - 7 - 4650=1, 9717/4.9=1 HB2 LYS 86 - HA ASP 137 lone 6 81 - 7 - HB2 MET 59 - HA ASP 137 lone 5 92 - 6 - HB3 PRO 52 - HA ASP 137 lone 4 85 - 5 - HG2 PRO 52 - HA ASP 137 lone 4 81 - 5 - HB3 GLU 122 - HA ASP 137 lone 2 68 - 3 - ~9694=1 Peak 4650 from cnoeabs.peaks (1.89, 4.46, 56.38 ppm; 3.79 A): 3 out of 9 assignments used, quality = 0.94: * HB3 ARG 140 + HA ASP 137 OK 74 100 - 74 - 4722=23, 1.8/4712=17...(18) HB ILE 101 + HA ASP 137 OK 52 89 - 59 - 2.1/9705=9, ~9707=6...(21) HB3 ARG 89 + HA ASP 137 OK 50 92 - 54 - 2.8/10372=19...(13) HB3 LYS 93 - HA ASP 137 OK 18 100 - 18 - 9717/4.9=3, 9697/3.6=2...(4) HB3 ARG 141 - HA ASP 137 OK 16 99 - 16 - 9717/4.9=4, 4722=4...(6) HB3 GLN 111 - HA ASP 137 OK 11 96 - 11 - 3626/5.0=2, 9717/4.9=2 QE MET 68 - HA ASP 137 lone 6 62 - 10 - ~10471=2, 9697/3.6=1 HB3 LEU 69 - HA ASP 137 lone 5 72 - 7 - 9717/4.9=1 HB2 LYS 24 - HA ASP 137 lone 5 92 - 5 - Peak 4651 from cnoeabs.peaks (4.21, 2.69, 40.38 ppm; 3.48 A): 4 out of 7 assignments used, quality = 0.92: * HA ALA 134 + HB2 ASP 137 OK 75 100 - 75 - 4572=34, 2.1/10323=19...(9) HA ILE 101 + HB2 ASP 137 OK 40 100 - 40 - 4657/1.8=9, 3.2/9711=6...(14) HA PHE 43 + HB2 ASP 137 OK 37 77 - 48 - 3.0/4655=7, 4657/1.8=7...(21) HA THR 102 + HB2 ASP 137 OK 14 98 - 14 - 10186/3.0=4, 4657/1.8=3...(5) HA LYS 93 - HB2 ASP 137 lone 9 92 - 9 - 7772/4.5=2, 4657/1.8=2 HA PHE 45 - HB2 ASP 137 lone 8 92 - 8 - 4.9/4653=2, 4657/1.8=2...(4) HA LYS 85 - HB2 ASP 137 lone 1 68 - 2 - Peak 4652 from cnoeabs.peaks (8.45, 2.69, 40.38 ppm; 3.18 A): 2 out of 2 assignments used, quality = 0.89: * H ASP 137 + HB2 ASP 137 OK 87 100 - 87 - 3.8=58, 4658/1.8=30...(14) H GLY 15 + HB2 ASP 137 OK 11 89 - 12 - 4658/1.8=4, 4643/3.0=3...(4) Peak 4653 from cnoeabs.peaks (4.46, 2.69, 40.38 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 137 + HB2 ASP 137 OK 100 100 - 100 - 3.0=100 HA SER 44 - HB2 ASP 137 OK 17 94 - 18 - 4659/1.8=4, 2.9/6346=3...(7) HA ASP 41 - HB2 ASP 137 OK 17 100 - 17 - 4659/1.8=4, 7766/3.8=2...(5) HA3 GLY 31 - HB2 ASP 137 lone 7 98 - 7 - 3.5/6153=1, 4.9/10351=1 HA SER 103 - HB2 ASP 137 lone 7 96 - 7 - 4659/1.8=2, 7766/3.8=1 Peak 4654 from cnoeabs.peaks (2.69, 2.69, 40.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 137 + HB2 ASP 137 OK 100 100 - 100 Peak 4655 from cnoeabs.peaks (2.74, 2.69, 40.38 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 137 + HB2 ASP 137 OK 100 100 - 100 - 1.8=100 HB3 PHE 43 - HB2 ASP 137 OK 33 100 - 33 - 985=6, 4646/3.0=4...(16) HE2 LYS 114 - HB2 ASP 137 lone 5 72 - 7 - ~9707=2 HB3 ASP 40 - HB2 ASP 137 lone 5 92 - 5 - 3.0/875=1 HE2 LYS 76 - HB2 ASP 137 lone 4 77 - 5 - HG3 MET 113 - HB2 ASP 137 lone 4 100 - 4 - HE3 LYS 76 - HB2 ASP 137 lone 3 57 - 5 - HB2 ASN 96 - HB2 ASP 137 lone 2 92 - 2 - HB2 ASN 54 - HB2 ASP 137 lone 1 99 - 1 - Peak 4656 from cnoeabs.peaks (8.14, 2.69, 40.38 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.94: * H SER 138 + HB2 ASP 137 OK 91 100 - 91 - 4.5=62, 3.2/4652=29...(9) H THR 107 + HB2 ASP 137 OK 22 94 - 24 - 7769/3.8=6, 4662/1.8=6...(6) H HIS 14 + HB2 ASP 137 OK 15 98 - 15 - 4662/1.8=4, 4647/3.0=3...(5) Peak 4657 from cnoeabs.peaks (4.21, 2.74, 40.38 ppm; 3.68 A): 3 out of 7 assignments used, quality = 0.93: * HA ALA 134 + HB3 ASP 137 OK 78 100 - 78 - 4572/1.8=27, 4573=22...(10) HA ILE 101 + HB3 ASP 137 OK 50 100 - 50 - 3.8/9707=11, 4651/1.8=9...(14) HA PHE 43 + HB3 ASP 137 OK 42 77 - 55 - 4651/1.8=8, 3.0/4660=8...(21) HA THR 102 - HB3 ASP 137 OK 17 98 - 17 - 10186/3.0=5, 4651/1.8=3...(6) HA LYS 93 - HB3 ASP 137 OK 11 92 - 12 - 7772/4.5=2, 4651/1.8=2 HA PHE 45 - HB3 ASP 137 lone 9 92 - 10 - 4.9/4659=2, 4651/1.8=2...(5) HA LYS 85 - HB3 ASP 137 lone 3 68 - 4 - Peak 4658 from cnoeabs.peaks (8.45, 2.74, 40.38 ppm; 3.25 A): 2 out of 2 assignments used, quality = 0.90: * H ASP 137 + HB3 ASP 137 OK 89 100 - 89 - 3.8=62, 4652/1.8=32...(14) H GLY 15 + HB3 ASP 137 OK 11 89 - 12 - 4652/1.8=4, 4643/3.0=3...(4) Peak 4659 from cnoeabs.peaks (4.46, 2.74, 40.38 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 137 + HB3 ASP 137 OK 100 100 - 100 - 3.0=100 HA SER 44 - HB3 ASP 137 OK 18 94 - 19 - 4653/1.8=4, 2.9/6347=3...(7) HA ASP 41 - HB3 ASP 137 OK 17 100 - 17 - 4653/1.8=4, 7766/3.8=2...(6) HA SER 103 - HB3 ASP 137 lone 7 96 - 8 - 4653/1.8=2, 7766/3.8=1 HA3 GLY 31 - HB3 ASP 137 lone 5 98 - 5 - 4653/1.8=2 Peak 4660 from cnoeabs.peaks (2.69, 2.74, 40.38 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 137 + HB3 ASP 137 OK 100 100 - 100 - 1.8=100 HB2 PHE 43 - HB3 ASP 137 OK 27 89 - 31 - 4645/3.0=4, ~985=3...(17) HB3 TYR 115 - HB3 ASP 137 lone 6 98 - 6 - 4645/3.0=1 HB2 ASP 32 - HB3 ASP 137 lone 5 100 - 5 - 4645/3.0=1 HB3 ASP 13 - HB3 ASP 137 lone 3 85 - 4 - HB3 ASP 16 - HB3 ASP 137 lone 2 100 - 2 - HB3 CYS 121 - HB3 ASP 137 lone 0 68 - 1 - Peak 4661 from cnoeabs.peaks (2.74, 2.74, 40.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 137 + HB3 ASP 137 OK 100 100 - 100 Peak 4662 from cnoeabs.peaks (8.14, 2.74, 40.38 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.94: * H SER 138 + HB3 ASP 137 OK 94 100 - 94 - 4.5=69, 3.2/4658=30...(13) H THR 107 - HB3 ASP 137 OK 24 94 - 25 - 7769/3.8=7, 4656/1.8=7...(6) H HIS 14 - HB3 ASP 137 OK 13 98 - 13 - 4656/1.8=5, 4647/3.0=3...(4) Peak 4663 from cnoeabs.peaks (8.14, 4.26, 60.42 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * H SER 138 + HA SER 138 OK 100 100 - 100 - 2.9=100 H THR 107 - HA SER 138 OK 14 94 - 15 - 7790/3.6=3, 4647/4.9=2...(6) H HIS 14 - HA SER 138 lone 9 98 - 9 - 4.5/9716=3, 4.7/10480=1...(4) Peak 4664 from cnoeabs.peaks (4.26, 4.26, 60.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 138 + HA SER 138 OK 100 100 - 100 Peak 4665 from cnoeabs.peaks (4.00, 4.26, 60.42 ppm; 2.56 A): 2 out of 9 assignments used, quality = 0.95: * HB2 SER 138 + HA SER 138 OK 78 100 - 78 - 3.0=61, 1.8/4676=10...(20) HB3 SER 138 + HA SER 138 OK 78 100 - 78 - 3.0=61, 1.8/4676=10...(20) HA LYS 114 - HA SER 138 lone 8 100 - 8 - 7793/3.6=1, 10355/4.8=1 HA GLU 122 - HA SER 138 lone 5 100 - 5 - HA LEU 69 - HA SER 138 lone 4 100 - 4 - HB3 SER 127 - HA SER 138 lone 4 85 - 4 - ~10474=1 HA MET 113 - HA SER 138 lone 3 100 - 3 - HB2 SER 103 - HA SER 138 lone 2 68 - 3 - HB3 SER 100 - HA SER 138 lone 1 68 - 2 - Peak 4666 from cnoeabs.peaks (4.00, 4.26, 60.42 ppm; 2.56 A): 2 out of 9 assignments used, quality = 0.95: HB2 SER 138 + HA SER 138 OK 78 100 - 78 - 3.0=61, 1.8/4676=10...(20) * HB3 SER 138 + HA SER 138 OK 78 100 - 78 - 3.0=61, 1.8/4676=10...(20) HA LYS 114 - HA SER 138 lone 8 100 - 8 - 7793/3.6=1, 10355/4.8=1 HA GLU 122 - HA SER 138 lone 5 100 - 5 - HA LEU 69 - HA SER 138 lone 4 100 - 4 - HB3 SER 127 - HA SER 138 lone 4 85 - 4 - ~10474=1 HA MET 113 - HA SER 138 lone 3 100 - 3 - HB2 SER 103 - HA SER 138 lone 2 68 - 3 - HB3 SER 100 - HA SER 138 lone 1 68 - 2 - Peak 4667 from cnoeabs.peaks (7.93, 4.26, 60.42 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 139 + HA SER 138 OK 100 100 - 100 - 3.6=100 Peak 4668 from cnoeabs.peaks (4.26, 4.00, 62.89 ppm; 2.59 A): 2 out of 16 assignments used, quality = 0.96: HA SER 138 + HB3 SER 138 OK 79 100 - 80 - 3.0=62, 4665/1.8=14...(16) HA SER 138 + HB2 SER 138 OK 79 100 - 79 - 3.0=62, 4665/1.8=14...(16) ! HA ALA 135 - HB2 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ALA 135 - HB3 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ARG 140 - HB2 SER 138 poor 9 62 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA ARG 140 - HB3 SER 138 poor 9 62 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA LEU 95 - HB3 SER 138 lone 7 85 - 8 - ~10345=2 HA LEU 95 - HB2 SER 138 lone 7 85 - 8 - ~10345=2 HB THR 99 - HB2 SER 138 lone 6 99 - 6 - 2.1/10159=2, ~10159=2 HB THR 99 - HB3 SER 138 lone 6 99 - 6 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB2 SER 138 lone 3 81 - 3 - HA ARG 49 - HB3 SER 138 lone 3 81 - 3 - HA2 GLY 50 - HB3 SER 138 lone 1 100 - 1 - HA2 GLY 50 - HB2 SER 138 lone 1 100 - 1 - HA GLU 142 - HB2 SER 138 lone 1 72 - 1 - HA GLU 142 - HB3 SER 138 lone 1 72 - 1 - Peak 4669 from cnoeabs.peaks (8.14, 4.00, 62.89 ppm; 3.09 A): 2 out of 6 assignments used, quality = 0.98: * H SER 138 + HB2 SER 138 OK 86 100 - 86 - 4.0=47, 7781/1.8=17...(25) H SER 138 + HB3 SER 138 OK 86 100 - 86 - 4.0=47, 7781/1.8=17...(25) H THR 107 - HB2 SER 138 lone 7 94 - 7 - 4663/3.0=3, 7790/4.7=2 H THR 107 - HB3 SER 138 lone 7 94 - 7 - 4663/3.0=3, 7790/4.7=2 H HIS 14 - HB2 SER 138 lone 3 98 - 3 - 4663/3.0=2 H HIS 14 - HB3 SER 138 lone 3 98 - 3 - 4663/3.0=2 Peak 4670 from cnoeabs.peaks (4.26, 4.00, 62.89 ppm; 2.59 A): 2 out of 16 assignments used, quality = 0.96: HA SER 138 + HB3 SER 138 OK 80 100 - 80 - 3.0=62, 4665/1.8=14...(16) * HA SER 138 + HB2 SER 138 OK 80 100 - 80 - 3.0=62, 4665/1.8=14...(16) HA ALA 135 - HB2 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ALA 135 - HB3 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ARG 140 - HB2 SER 138 OK 12 77 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA ARG 140 - HB3 SER 138 OK 12 77 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA LEU 95 - HB3 SER 138 lone 8 94 - 8 - ~10345=2 HA LEU 95 - HB2 SER 138 lone 8 94 - 8 - ~10345=2 HB THR 99 - HB2 SER 138 lone 6 100 - 6 - 2.1/10159=2, ~10159=2 HB THR 99 - HB3 SER 138 lone 6 100 - 6 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB3 SER 138 lone 3 92 - 3 - HA ARG 49 - HB2 SER 138 lone 3 92 - 3 - HA2 GLY 50 - HB3 SER 138 lone 1 100 - 1 - HA2 GLY 50 - HB2 SER 138 lone 1 100 - 1 - HA3 GLY 78 - HB2 SER 138 lone 0 62 - 1 - HA3 GLY 78 - HB3 SER 138 lone 0 62 - 1 - Peak 4671 from cnoeabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 * HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 Peak 4672 from cnoeabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 Reference assignment not found: HB3 SER 138 - HB2 SER 138 Peak 4673 from cnoeabs.peaks (7.93, 4.00, 62.89 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.99: H ASN 139 + HB3 SER 138 OK 88 100 - 88 - 4.7=56, 7783/4.0=26...(16) * H ASN 139 + HB2 SER 138 OK 88 100 - 88 - 4.7=56, 7783/4.0=26...(16) Peak 4674 from cnoeabs.peaks (4.26, 4.00, 62.89 ppm; 2.59 A): 2 out of 16 assignments used, quality = 0.96: HA SER 138 + HB3 SER 138 OK 79 100 - 80 - 3.0=62, 4665/1.8=14...(16) HA SER 138 + HB2 SER 138 OK 79 100 - 79 - 3.0=62, 4665/1.8=14...(16) HA ALA 135 - HB2 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) ! HA ALA 135 - HB3 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ARG 140 - HB2 SER 138 poor 9 62 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA ARG 140 - HB3 SER 138 poor 9 62 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA LEU 95 - HB3 SER 138 lone 7 85 - 8 - ~10345=2 HA LEU 95 - HB2 SER 138 lone 7 85 - 8 - ~10345=2 HB THR 99 - HB2 SER 138 lone 6 99 - 6 - 2.1/10159=2, ~10159=2 HB THR 99 - HB3 SER 138 lone 6 99 - 6 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB2 SER 138 lone 3 81 - 3 - HA ARG 49 - HB3 SER 138 lone 3 81 - 3 - HA2 GLY 50 - HB3 SER 138 lone 1 100 - 1 - HA2 GLY 50 - HB2 SER 138 lone 1 100 - 1 - HA GLU 142 - HB2 SER 138 lone 1 72 - 1 - HA GLU 142 - HB3 SER 138 lone 1 72 - 1 - Peak 4675 from cnoeabs.peaks (8.14, 4.00, 62.89 ppm; 3.09 A): 2 out of 6 assignments used, quality = 0.98: H SER 138 + HB2 SER 138 OK 86 100 - 86 - 4.0=47, 7781/1.8=17...(25) * H SER 138 + HB3 SER 138 OK 86 100 - 86 - 4.0=47, 7781/1.8=17...(25) H THR 107 - HB2 SER 138 lone 7 94 - 7 - 4663/3.0=3, 7790/4.7=2 H THR 107 - HB3 SER 138 lone 7 94 - 7 - 4663/3.0=3, 7790/4.7=2 H HIS 14 - HB2 SER 138 lone 3 98 - 3 - 4663/3.0=2 H HIS 14 - HB3 SER 138 lone 3 98 - 3 - 4663/3.0=2 Peak 4676 from cnoeabs.peaks (4.26, 4.00, 62.89 ppm; 2.59 A): 2 out of 16 assignments used, quality = 0.96: * HA SER 138 + HB3 SER 138 OK 80 100 - 80 - 3.0=62, 4665/1.8=14...(16) HA SER 138 + HB2 SER 138 OK 80 100 - 80 - 3.0=62, 4665/1.8=14...(16) HA ALA 135 - HB2 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ALA 135 - HB3 SER 138 OK 28 100 - 28 - 4584=8, 4585/1.8=7...(9) HA ARG 140 - HB2 SER 138 OK 12 77 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA ARG 140 - HB3 SER 138 OK 12 77 - 15 - 2.9/9751=3, 4.9/10486=2...(6) HA LEU 95 - HB3 SER 138 lone 8 94 - 8 - ~10345=2 HA LEU 95 - HB2 SER 138 lone 8 94 - 8 - ~10345=2 HB THR 99 - HB2 SER 138 lone 6 100 - 6 - 2.1/10159=2, ~10159=2 HB THR 99 - HB3 SER 138 lone 6 100 - 6 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB3 SER 138 lone 3 92 - 3 - HA ARG 49 - HB2 SER 138 lone 3 92 - 3 - HA2 GLY 50 - HB3 SER 138 lone 1 100 - 1 - HA2 GLY 50 - HB2 SER 138 lone 1 100 - 1 - HA3 GLY 78 - HB2 SER 138 lone 0 62 - 1 - HA3 GLY 78 - HB3 SER 138 lone 0 62 - 1 - Peak 4677 from cnoeabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 Reference assignment not found: HB2 SER 138 - HB3 SER 138 Peak 4678 from cnoeabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 Peak 4679 from cnoeabs.peaks (7.93, 4.00, 62.89 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.99: * H ASN 139 + HB3 SER 138 OK 88 100 - 88 - 4.7=56, 7783/4.0=26...(16) H ASN 139 + HB2 SER 138 OK 88 100 - 88 - 4.7=56, 7783/4.0=26...(16) Peak 4680 from cnoeabs.peaks (7.93, 4.65, 54.54 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 139 + HA ASN 139 OK 100 100 - 100 - 3.0=100 Peak 4681 from cnoeabs.peaks (4.65, 4.65, 54.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 139 + HA ASN 139 OK 100 100 - 100 Peak 4682 from cnoeabs.peaks (2.82, 4.65, 54.54 ppm; 2.68 A): 3 out of 5 assignments used, quality = 0.92: * HB2 ASN 139 + HA ASN 139 OK 85 100 - 85 - 3.0=69, 4688/3.0=17...(11) HE3 LYS 114 + HA ASN 139 OK 29 100 - 30 - 3.0/9339=6, 7795/3.0=3...(11) HB2 ASP 40 + HA ASN 139 OK 24 99 - 24 - 3.0/10357=4, 4689=3...(8) HB2 ASN 130 - HA ASN 139 lone 6 100 - 6 - HB3 ASN 54 - HA ASN 139 lone 2 92 - 3 - Peak 4683 from cnoeabs.peaks (2.80, 4.65, 54.54 ppm; 2.64 A): 2 out of 3 assignments used, quality = 0.85: * HB3 ASN 139 + HA ASN 139 OK 82 100 - 82 - 3.0=66, 4696/3.0=18...(8) HB3 ASP 41 + HA ASN 139 OK 16 98 - 17 - 7796/3.0=3, 4691/3.0=3...(6) HB2 ASN 128 - HA ASN 139 lone 8 94 - 8 - 4691/3.0=1, 7796/3.0=1, ~4343=1 Peak 4686 from cnoeabs.peaks (7.99, 4.65, 54.54 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 140 + HA ASN 139 OK 100 100 - 100 - 3.6=100 H VAL 73 - HA ASN 139 OK 12 100 - 12 - 7799/3.0=3, 4702/3.0=2...(5) H GLN 47 - HA ASN 139 lone 10 100 - 10 - 4703/4.9=3, 4702/3.0=2...(5) H ALA 104 - HA ASN 139 lone 7 98 - 7 - 7799/3.0=2, 4703/4.9=2...(4) H ARG 145 - HA ASN 139 lone 3 68 - 5 - 4.3/10362=2 Peak 4687 from cnoeabs.peaks (3.71, 2.82, 39.01 ppm; 3.88 A): 4 out of 10 assignments used, quality = 0.89: * HA ILE 136 + HB2 ASN 139 OK 81 100 - 81 - 4600=38, 4601/1.8=29...(11) HA ILE 91 + HB2 ASN 139 OK 20 96 - 21 - 4695/1.8=6, 9750/3.5=5...(6) HA THR 107 + HB2 ASN 139 OK 18 99 - 18 - 4695/1.8=5, 7787/4.0=4...(5) HB THR 74 + HB2 ASN 139 OK 11 92 - 12 - 4695/1.8=3, 7787/4.0=2...(5) HA ILE 136 - HB2 ASP 40 poor 8 51 - 15 - 4600=6, 4599/7795=2...(5) HA LEU 108 - HB2 ASN 139 lone 3 68 - 4 - 10223/8258=1 HA ILE 91 - HB2 ASP 40 lone 2 46 - 4 - HA THR 107 - HB2 ASP 40 lone 2 49 - 4 - HB THR 74 - HB2 ASP 40 lone 1 42 - 3 - HA LEU 108 - HB2 ASP 40 lone 0 28 - 1 - Peak 4688 from cnoeabs.peaks (7.93, 2.82, 39.01 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.87: * H ASN 139 + HB2 ASN 139 OK 85 100 - 85 - 4.0=43, 4696/1.8=33...(12) H ASN 139 + HB2 ASP 40 OK 11 51 - 21 - 7795=7, 3.0/4682=4...(5) Peak 4689 from cnoeabs.peaks (4.65, 2.82, 39.01 ppm; 3.07 A): 1 out of 14 assignments used, quality = 1.00: * HA ASN 139 + HB2 ASN 139 OK 100 100 - 100 - 3.0=100 HA GLN 111 - HB2 ASN 139 OK 20 94 - 21 - 4697/1.8=4, 7818/4.6=2...(9) HA ASN 139 - HB2 ASP 40 OK 18 51 - 35 - 4682=8, 10357/3.0=6...(10) HA GLN 62 - HB2 ASN 139 poor 10 81 - 12 - 7794/4.0=2, 4697/1.8=2...(4) HA LEU 87 - HB2 ASN 139 poor 10 81 - 12 - ~10495=3, 4697/1.8=2 HA ASP 32 - HB2 ASN 139 lone 8 92 - 9 - 4697/1.8=2, 7802/3.5=1...(4) HG1 THR 110 - HB2 ASN 139 lone 5 94 - 5 - ~9293=1 HA GLN 111 - HB2 ASP 40 lone 2 44 - 5 - 3613/4.4=2 HA MET 11 - HB2 ASN 139 lone 2 68 - 3 - HA ASP 32 - HB2 ASP 40 lone 1 42 - 3 - HA LEU 87 - HB2 ASP 40 lone 1 36 - 3 - HG1 THR 110 - HB2 ASP 40 lone 1 44 - 2 - HA GLN 62 - HB2 ASP 40 lone 0 36 - 1 - HA MET 11 - HB2 ASP 40 lone 0 28 - 1 - Peak 4690 from cnoeabs.peaks (2.82, 2.82, 39.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 139 + HB2 ASN 139 OK 100 100 - 100 HB2 ASP 40 + HB2 ASP 40 OK 49 49 - 100 Peak 4691 from cnoeabs.peaks (2.80, 2.82, 39.01 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 139 + HB2 ASN 139 OK 100 100 - 100 - 1.8=100 HB3 ASP 41 - HB2 ASN 139 OK 18 98 - 19 - 4683/3.0=3, 7810/3.5=3...(10) HB3 ASN 139 - HB2 ASP 40 OK 13 51 - 25 - 4698=7, 3.0/4682=3...(11) HB2 ASN 128 - HB2 ASN 139 OK 10 94 - 11 - ~4343=2, ~4343=1...(5) HB3 ASP 41 - HB2 ASP 40 lone 4 48 - 8 - 6299/4.4=6 HB2 ASN 128 - HB2 ASP 40 lone 0 44 - 1 - Peak 4692 from cnoeabs.peaks (6.95, 2.82, 39.01 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 139 + HB2 ASN 139 OK 100 100 - 100 - 3.5=100 HD21 ASN 139 - HB2 ASP 40 OK 12 51 - 24 - 7803=7, 1.7/7809=6...(5) QD PHE 23 - HB2 ASN 139 lone 6 85 - 7 - 11191=2, 4700/1.8=2, 8835/9729=1 QD PHE 38 - HB2 ASP 40 poor 4 26 - 16 - 8136/3.3=6, ~6275=4...(4) QD PHE 38 - HB2 ASN 139 lone 4 62 - 6 - ~797=1, ~797=1, 4700/1.8=1 QD PHE 23 - HB2 ASP 40 lone 1 38 - 3 - 11191=1 Peak 4693 from cnoeabs.peaks (7.89, 2.82, 39.01 ppm; 3.32 A): 1 out of 4 assignments used, quality = 0.95: * HD22 ASN 139 + HB2 ASN 139 OK 95 100 - 95 - 3.5=82, 7810/1.8=29...(11) H ILE 83 - HB2 ASN 139 OK 28 99 - 28 - 3.9/9729=10, 4701/1.8=7...(6) HD22 ASN 139 - HB2 ASP 40 OK 10 51 - 20 - 7809=6, 1.7/7803=5...(6) H ILE 83 - HB2 ASP 40 lone 3 49 - 7 - 3.9/9729=2, ~6929=1, ~6934=1 Peak 4694 from cnoeabs.peaks (7.99, 2.82, 39.01 ppm; 3.70 A): 3 out of 10 assignments used, quality = 0.94: * H ARG 140 + HB2 ASN 139 OK 93 100 - 93 - 4.6=51, 7820/1.8=33...(14) H ARG 140 + HB2 ASP 40 OK 13 51 - 25 - 7819=7, 3.6/4682=5...(6) H VAL 73 + HB2 ASN 139 OK 12 100 - 12 - 4702/1.8=3, 4686/3.0=3...(4) H VAL 73 - HB2 ASP 40 poor 10 50 - 20 - 6757/3.3=6, ~10449=4...(6) H GLN 47 - HB2 ASN 139 lone 8 100 - 8 - 4702/1.8=2, 4686/3.0=2 H ALA 104 - HB2 ASN 139 lone 7 98 - 7 - 4702/1.8=2, 4686/3.0=2 H ARG 145 - HB2 ASN 139 lone 3 68 - 5 - 4.3/9741=1 H ALA 104 - HB2 ASP 40 lone 1 48 - 2 - H GLN 47 - HB2 ASP 40 lone 1 50 - 2 - H ARG 145 - HB2 ASP 40 lone 0 28 - 1 - Peak 4695 from cnoeabs.peaks (3.71, 2.80, 39.01 ppm; 3.90 A): 4 out of 5 assignments used, quality = 0.90: * HA ILE 136 + HB3 ASN 139 OK 82 100 - 82 - 4601=37, 4600/1.8=31...(11) HA ILE 91 + HB3 ASN 139 OK 21 96 - 22 - 4687/1.8=5, 9750/3.5=5...(7) HA THR 107 + HB3 ASN 139 OK 19 99 - 20 - 4687/1.8=5, 7787/4.0=4...(6) HB THR 74 + HB3 ASN 139 OK 11 92 - 12 - 4687/1.8=3, 7787/4.0=3...(4) HA LEU 108 - HB3 ASN 139 lone 3 68 - 4 - Peak 4696 from cnoeabs.peaks (7.93, 2.80, 39.01 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.86: * H ASN 139 + HB3 ASN 139 OK 86 100 - 86 - 4.0=44, 4688/1.8=31...(13) Peak 4697 from cnoeabs.peaks (4.65, 2.80, 39.01 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * HA ASN 139 + HB3 ASN 139 OK 100 100 - 100 - 3.0=100 HA GLN 111 - HB3 ASN 139 OK 18 94 - 19 - 4689/1.8=4, 2.9/10494=2...(8) HA GLN 62 - HB3 ASN 139 OK 10 81 - 13 - 7794/4.0=2, 4689/1.8=2...(5) HA LEU 87 - HB3 ASN 139 poor 10 81 - 12 - 3.0/10495=4, 4689/1.8=2 HA ASP 32 - HB3 ASN 139 lone 8 92 - 9 - 4689/1.8=2, 7802/3.5=1...(4) HG1 THR 110 - HB3 ASN 139 lone 4 94 - 4 - ~9293=1 HA MET 11 - HB3 ASN 139 lone 2 68 - 2 - Peak 4698 from cnoeabs.peaks (2.82, 2.80, 39.01 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 139 + HB3 ASN 139 OK 100 100 - 100 - 1.8=100 HB2 ASP 40 - HB3 ASN 139 OK 23 99 - 23 - 4691=5, 4682/3.0=3...(11) HE3 LYS 114 - HB3 ASN 139 OK 22 100 - 22 - 4682/3.0=3, ~9339=3...(13) HB2 ASN 130 - HB3 ASN 139 lone 5 100 - 5 - HB3 ASN 54 - HB3 ASN 139 lone 2 92 - 2 - Peak 4699 from cnoeabs.peaks (2.80, 2.80, 39.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 139 + HB3 ASN 139 OK 100 100 - 100 Peak 4700 from cnoeabs.peaks (6.95, 2.80, 39.01 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 139 + HB3 ASN 139 OK 100 100 - 100 - 3.5=100 QD PHE 23 - HB3 ASN 139 lone 5 85 - 6 - 11191/1.8=3, 4797/8289=1 QD PHE 38 - HB3 ASN 139 lone 3 62 - 5 - 3.1/797=2, 4692/1.8=1 Peak 4701 from cnoeabs.peaks (7.89, 2.80, 39.01 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.96: * HD22 ASN 139 + HB3 ASN 139 OK 96 100 - 96 - 3.5=85, 7809/1.8=29...(11) H ILE 83 - HB3 ASN 139 OK 24 99 - 25 - 3.9/10026=13, 4693/1.8=7...(4) Peak 4702 from cnoeabs.peaks (7.99, 2.80, 39.01 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.95: * H ARG 140 + HB3 ASN 139 OK 94 100 - 94 - 4.6=54, 3.1/4696=34...(15) H VAL 73 + HB3 ASN 139 OK 11 100 - 11 - 4694/1.8=3, 4686/3.0=3...(4) H GLN 47 - HB3 ASN 139 lone 8 100 - 8 - 4686/3.0=2, 4694/1.8=2 H ALA 104 - HB3 ASN 139 lone 7 98 - 7 - 4694/1.8=2, 4686/3.0=2...(4) H ARG 145 - HB3 ASN 139 lone 3 68 - 5 - 4.3/10493=2 Peak 4703 from cnoeabs.peaks (7.99, 4.28, 57.11 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 140 + HA ARG 140 OK 100 100 - 100 - 2.9=100 H GLN 47 - HA ARG 140 OK 23 100 - 23 - 4713/3.0=3, 4732/3.8=3...(10) H VAL 73 - HA ARG 140 OK 17 100 - 17 - 4.0/8566=3, 3.9/8574=3...(9) H ALA 104 - HA ARG 140 OK 15 98 - 16 - 3.6/10369=3, 7832/3.6=2...(6) H ARG 145 - HA ARG 140 lone 4 68 - 6 - Peak 4704 from cnoeabs.peaks (4.28, 4.28, 57.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 140 + HA ARG 140 OK 100 100 - 100 Peak 4705 from cnoeabs.peaks (1.93, 4.28, 57.11 ppm; 2.67 A): 2 out of 14 assignments used, quality = 0.97: * HB2 ARG 140 + HA ARG 140 OK 91 100 - 91 - 3.0=70, 1.8/4724=12...(36) HB2 ARG 89 + HA ARG 140 OK 60 96 - 63 - 4705=12, 1.8/4706=7...(28) HB2 PRO 118 - HA ARG 140 OK 36 96 - 37 - 4705=6, 1.8/3956=3...(12) HB ILE 136 - HA ARG 140 OK 18 62 - 28 - 2.1/10329=4, 2.9/4707=3...(9) HB2 GLN 62 - HA ARG 140 lone 9 100 - 9 - 4706=2, 1757/4.9=1 HG2 PRO 12 - HA ARG 140 lone 9 100 - 8 - 1.8/4705=1 HG3 PRO 12 - HA ARG 140 lone 7 99 - 7 - 4705=2 HG13 ILE 83 - HA ARG 140 lone 7 72 - 10 - 4705=1 HB3 PRO 52 - HA ARG 140 lone 6 85 - 7 - 4705=1 HG2 PRO 52 - HA ARG 140 lone 5 81 - 6 - 4705=1 HB3 LEU 132 - HA ARG 140 lone 5 100 - 5 - HB2 LYS 86 - HA ARG 140 lone 3 81 - 4 - HB2 MET 59 - HA ARG 140 lone 1 92 - 1 - HB3 GLU 122 - HA ARG 140 lone 1 68 - 1 - Peak 4706 from cnoeabs.peaks (1.89, 4.28, 57.11 ppm; 2.68 A): 2 out of 9 assignments used, quality = 0.96: * HB3 ARG 140 + HA ARG 140 OK 92 100 - 92 - 3.0=71, 1.8/4705=12...(36) HB3 ARG 89 + HA ARG 140 OK 57 92 - 62 - 4706=10, 1.8/4705=8...(28) HB3 ARG 141 - HA ARG 140 OK 42 99 - 43 - 4.0/4711=8, 4706=8...(18) HB3 GLN 111 - HA ARG 140 OK 18 96 - 19 - 4706=3, 2.9/10370=3...(6) HB3 LYS 93 - HA ARG 140 OK 16 100 - 16 - 4706=3, 7835/3.6=1...(5) HB ILE 101 - HA ARG 140 OK 15 89 - 17 - 4706=2, 2.1/10366=2...(6) HB2 LYS 24 - HA ARG 140 lone 6 92 - 6 - HB3 LEU 69 - HA ARG 140 lone 4 72 - 6 - QE MET 68 - HA ARG 140 lone 2 62 - 3 - Peak 4707 from cnoeabs.peaks (1.65, 4.28, 57.11 ppm; 3.07 A): 2 out of 12 assignments used, quality = 0.96: * HG2 ARG 140 + HA ARG 140 OK 91 100 - 91 - 3.8=52, 1.8/4742=16...(39) HG2 ARG 89 + HA ARG 140 OK 61 81 - 75 - 4707=12, 1.8/2883=10...(44) HG13 ILE 136 - HA ARG 140 OK 39 100 - 39 - 2.3/10329=6, 4707=4...(15) HG2 ARG 124 - HA ARG 140 OK 22 92 - 24 - 4707=4, 4727/3.0=2...(9) HD3 LYS 93 - HA ARG 140 OK 19 99 - 19 - 4707=2, 7836/3.6=2...(7) HB2 LYS 114 - HA ARG 140 OK 14 99 - 14 - 3741/4.9=3, 4707=3...(4) HB2 MET 68 - HA ARG 140 OK 12 94 - 12 - 7836/3.6=2, 1965/3.0=1 HB2 LEU 95 - HA ARG 140 poor 9 81 - 11 - 4707=2 HB VAL 71 - HA ARG 140 lone 7 81 - 8 - 4707=1 HD2 LYS 48 - HA ARG 140 lone 5 81 - 6 - 7836/3.6=1 HB2 PRO 57 - HA ARG 140 lone 5 98 - 5 - HB2 ARG 145 - HA ARG 140 lone 3 68 - 4 - Peak 4708 from cnoeabs.peaks (1.74, 4.28, 57.11 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.95: * HG3 ARG 140 + HA ARG 140 OK 91 100 - 91 - 3.8=54, 1.8/4733=17...(39) HG3 ARG 89 + HA ARG 140 OK 47 62 - 75 - 4708=11, 1.8/2875=11...(43) HB2 ARG 49 - HA ARG 140 OK 26 100 - 26 - 4708=6, 1.8/1257=2...(9) HB2 GLU 81 - HA ARG 140 OK 13 100 - 13 - 4708=3, 1.8/4708=1, 7827/2.9=1 HB ILE 83 - HA ARG 140 OK 10 72 - 14 - 7827/2.9=1, 4737/3.8=1...(6) HB3 ARG 144 - HA ARG 140 poor 10 85 - 12 - 4708=2, 7837/3.6=2, 7827/2.9=2 HB3 GLU 81 - HA ARG 140 poor 9 72 - 13 - 1.8/4708=2, 4708=2 HD2 LYS 36 - HA ARG 140 lone 8 92 - 9 - 4708=2, 7837/3.6=2, 7827/2.9=1 Peak 4709 from cnoeabs.peaks (3.22, 4.28, 57.11 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HD2 ARG 140 + HA ARG 140 OK 93 100 - 93 - 5.4=28, 2.9/4733=15...(51) HD3 ARG 140 + HA ARG 140 OK 87 94 - 93 - 5.4=28, 2.9/4733=15...(50) HD3 ARG 89 + HA ARG 140 OK 62 81 - 77 - 1.8/2891=10, 3.0/2875=9...(34) HD3 ARG 124 - HA ARG 140 OK 23 96 - 24 - 4253/3.8=3, 3.0/4707=3...(8) HG3 MET 46 - HA ARG 140 lone 7 92 - 8 - 4710=1, ~10684=1 HB3 TYR 117 - HA ARG 140 lone 4 98 - 4 - Peak 4710 from cnoeabs.peaks (3.22, 4.28, 57.11 ppm; 3.50 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 140 + HA ARG 140 OK 93 100 - 93 - 5.4=28, 2.9/4733=15...(49) HD2 ARG 140 + HA ARG 140 OK 87 94 - 93 - 5.4=28, 2.9/4733=15...(50) HD3 ARG 141 + HA ARG 140 OK 46 85 - 54 - 4709=7, 6.0/4711=7...(33) HD2 ARG 141 - HA ARG 140 OK 36 68 - 53 - 6.0/4711=7, 4709=6...(33) HD3 ARG 124 - HA ARG 140 OK 24 100 - 24 - 4710=4, 4253/3.8=3...(8) HG3 MET 46 - HA ARG 140 lone 8 100 - 8 - 4710=1, ~10684=1 HB3 TYR 117 - HA ARG 140 lone 4 100 - 4 - Peak 4711 from cnoeabs.peaks (8.20, 4.28, 57.11 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.89: * H ARG 141 + HA ARG 140 OK 85 100 - 85 - 3.6=69, 3.2/7823=12...(17) H GLU 142 + HA ARG 140 OK 23 89 - 26 - 4.6/7833=9, 10509/2.9=6...(6) H ARG 124 - HA ARG 140 lone 6 77 - 8 - 4740/3.8=2, 4721/3.0=1...(5) H MET 11 - HA ARG 140 lone 5 94 - 6 - 4721/3.0=1, 7830/2.9=1 Peak 4712 from cnoeabs.peaks (4.46, 1.93, 30.10 ppm; 4.00 A): 5 out of 10 assignments used, quality = 0.89: * HA ASP 137 + HB2 ARG 140 OK 74 100 - 75 - 4722/1.8=18...(20) HA SER 103 + HB2 ARG 140 OK 26 96 - 27 - 4722/1.8=6, 10369/3.0=6...(6) HA ASP 41 + HB2 ARG 140 OK 20 100 - 20 - 7814/4.0=5, 4722/1.8=5...(4) HA ASP 137 + HB2 PRO 118 OK 15 85 - 17 - 4649=3, 5.0/4593=2...(6) HA SER 44 + HB2 ARG 140 OK 14 94 - 15 - 10373/2.9=4, 4722/1.8=3...(5) HA3 GLY 31 - HB2 ARG 140 lone 9 98 - 9 - 4722/1.8=2, 10369/3.0=2...(4) HA SER 44 - HB2 PRO 118 lone 4 76 - 5 - 9817/1.8=2 HA SER 103 - HB2 PRO 118 lone 3 79 - 4 - HA ASP 41 - HB2 PRO 118 lone 3 84 - 3 - HA3 GLY 31 - HB2 PRO 118 lone 2 81 - 2 - Peak 4713 from cnoeabs.peaks (7.99, 1.93, 30.10 ppm; 3.46 A): 1 out of 10 assignments used, quality = 0.97: * H ARG 140 + HB2 ARG 140 OK 97 100 - 97 - 4.0=64, 7825/1.8=18...(44) H ARG 140 - HB2 PRO 118 OK 33 85 - 38 - 7824=6, 2.9/4705=5...(14) H GLN 47 - HB2 ARG 140 OK 32 100 - 32 - 4723/1.8=5, 4732/2.9=5...(10) H ALA 104 - HB2 ARG 140 OK 19 98 - 19 - 4723/1.8=3, 3.6/4712=3...(6) H VAL 73 - HB2 ARG 140 OK 14 100 - 14 - 4703/3.0=3, 4732/2.9=2...(5) H GLN 47 - HB2 PRO 118 lone 8 84 - 10 - 6404/1.8=2, ~6390=1 H ALA 104 - HB2 PRO 118 lone 5 81 - 6 - H ARG 145 - HB2 ARG 140 lone 5 68 - 7 - H VAL 73 - HB2 PRO 118 lone 4 84 - 5 - ~8533=1 H ARG 145 - HB2 PRO 118 lone 0 51 - 1 - Peak 4714 from cnoeabs.peaks (4.28, 1.93, 30.10 ppm; 3.09 A): 3 out of 20 assignments used, quality = 1.00: * HA ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 3.0=100 HA PRO 118 + HB2 PRO 118 OK 82 82 - 100 - 2.3=100 HA PRO 118 + HB2 ARG 140 OK 50 99 - 51 - 4724/1.8=6, 4742/2.9=5...(27) HA ARG 140 - HB2 PRO 118 OK 39 85 - 46 - 4705=7, 3956/1.8=5...(25) HA ARG 49 - HB2 ARG 140 OK 26 99 - 26 - 4742/2.9=4, 4724/1.8=3...(8) HA SER 138 - HB2 ARG 140 OK 20 77 - 26 - 4.9/4712=5, 7816/4.0=4...(9) HA LEU 95 - HB2 ARG 140 OK 13 98 - 13 - 4733/2.9=1, 4724/1.8=1 HA ALA 135 - HB2 PRO 118 OK 11 47 - 23 - 2.8/9633=3, ~11551=3...(12) HA3 GLY 78 - HB2 ARG 140 lone 10 100 - 10 - ~8691=2, 4724/1.8=1...(4) HB THR 99 - HB2 ARG 140 lone 8 81 - 10 - ~9152=2, ~10157=2, ~9152=1 HA ARG 49 - HB2 PRO 118 lone 6 82 - 7 - 3956/1.8=1, 5.2/11511=1 HA2 GLY 50 - HB2 ARG 140 lone 5 68 - 8 - 8230/3.4=1 HA ALA 135 - HB2 ARG 140 lone 5 62 - 8 - 7816/4.0=1, 4.9/4593=1 HA LEU 95 - HB2 PRO 118 lone 5 81 - 6 - 11414/1.8=2 HA3 GLY 78 - HB2 PRO 118 lone 4 84 - 5 - HB THR 99 - HB2 PRO 118 lone 4 63 - 6 - 4.4/9166=1, ~10160=1 HA2 GLY 50 - HB2 PRO 118 lone 3 51 - 7 - ~8190=2 HA SER 138 - HB2 PRO 118 lone 2 59 - 3 - HA THR 18 - HB2 PRO 118 lone 1 55 - 2 - HA THR 18 - HB2 ARG 140 lone 1 72 - 1 - Peak 4715 from cnoeabs.peaks (1.93, 1.93, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 140 + HB2 ARG 140 OK 100 100 - 100 HB2 PRO 118 + HB2 PRO 118 OK 79 79 - 100 Peak 4716 from cnoeabs.peaks (1.89, 1.93, 30.10 ppm; 2.50 A): 3 out of 18 assignments used, quality = 1.00: * HB3 ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 1.8=100 HB3 ARG 89 + HB2 ARG 140 OK 69 92 - 75 - 2868=11, 2.8/2884=5...(51) HB3 ARG 141 + HB2 ARG 140 OK 48 99 - 49 - 4725=5, 4.0/7834=5...(27) HB3 ARG 140 - HB2 PRO 118 OK 37 85 - 43 - 4725=6, 4724/2.3=3...(29) HB3 ARG 89 - HB2 PRO 118 OK 19 73 - 25 - 2868=4, 2867/2.3=2...(7) HB ILE 101 - HB2 ARG 140 OK 18 89 - 20 - 4735/2.9=1, 4744/2.9=1...(7) HB3 LYS 93 - HB2 ARG 140 OK 17 100 - 17 - 4735/2.9=1, 4744/2.9=1...(4) HB3 GLN 111 - HB2 ARG 140 OK 16 96 - 17 - 2.9/10374=3, 4706/3.0=1...(5) HB2 LYS 24 - HB2 ARG 140 lone 6 92 - 6 - HB3 LEU 69 - HB2 ARG 140 lone 4 72 - 5 - HB3 GLN 111 - HB2 PRO 118 lone 4 79 - 5 - 3631/2.3=1 HB2 LYS 24 - HB2 PRO 118 lone 3 73 - 4 - ~11316=1 QE MET 68 - HB2 PRO 118 lone 3 47 - 6 - HB3 ARG 141 - HB2 PRO 118 lone 3 82 - 3 - QE MET 68 - HB2 ARG 140 lone 3 62 - 4 - HB3 LEU 69 - HB2 PRO 118 lone 2 55 - 4 - HB ILE 101 - HB2 PRO 118 lone 2 70 - 2 - HB3 LYS 93 - HB2 PRO 118 lone 2 85 - 2 - Peak 4717 from cnoeabs.peaks (1.65, 1.93, 30.10 ppm; 3.19 A): 4 out of 24 assignments used, quality = 1.00: * HG2 ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 2.9=100 HG2 ARG 89 + HB2 ARG 140 OK 76 81 - 93 - 1.8/2884=11, 2876=9...(77) HG13 ILE 136 + HB2 ARG 140 OK 63 100 - 63 - 4745/2.9=5, 4727/1.8=5...(36) HG2 ARG 140 + HB2 PRO 118 OK 46 85 - 54 - 4733/2.3=6, 4734=6...(33) HG2 ARG 124 - HB2 ARG 140 OK 43 92 - 47 - 4229/3.4=5, 4229/3.4=5...(20) HG13 ILE 136 - HB2 PRO 118 OK 41 85 - 48 - ~9667=5, ~9667=4, 4629=4...(29) HD3 LYS 93 - HB2 ARG 140 OK 28 99 - 28 - 3081/1.8=2, ~3070=2...(9) HG2 ARG 89 - HB2 PRO 118 OK 24 63 - 38 - 2875/2.3=4, 1.8/2884=3...(18) HB2 MET 68 - HB2 PRO 118 OK 19 76 - 25 - 1960/3.0=3, 1963/1.8=2...(10) HB2 MET 68 - HB2 ARG 140 OK 17 94 - 18 - 1965=2, 7836/4.7=1...(5) HB2 LYS 114 - HB2 ARG 140 OK 11 99 - 11 - 4707/3.0=1, 3741/10374=1 HB2 LEU 95 - HB2 ARG 140 OK 10 81 - 13 - HB VAL 71 - HB2 ARG 140 lone 8 81 - 10 - 2.1/8520=2, ~8520=1 HB2 PRO 57 - HB2 ARG 140 lone 8 98 - 8 - HB VAL 71 - HB2 PRO 118 lone 6 63 - 9 - ~9894=2, ~8508=1 HD2 LYS 48 - HB2 ARG 140 lone 5 81 - 6 - HB2 LEU 95 - HB2 PRO 118 lone 4 63 - 6 - HB2 ARG 145 - HB2 ARG 140 lone 3 68 - 5 - HB2 PRO 57 - HB2 PRO 118 lone 3 81 - 4 - HD3 LYS 93 - HB2 PRO 118 lone 3 82 - 4 - HG2 ARG 124 - HB2 PRO 118 lone 2 73 - 3 - HB2 LYS 114 - HB2 PRO 118 lone 1 82 - 2 - HD2 LYS 48 - HB2 PRO 118 lone 1 63 - 1 - HB2 ARG 145 - HB2 PRO 118 lone 0 51 - 1 - Peak 4718 from cnoeabs.peaks (1.74, 1.93, 30.10 ppm; 2.95 A): 2 out of 16 assignments used, quality = 1.00: * HG3 ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 2.9=100 HG3 ARG 89 + HB2 ARG 140 OK 55 62 - 88 - 1.8/2876=10, 4728/1.8=7...(73) HG3 ARG 140 - HB2 PRO 118 OK 41 85 - 48 - 4743=6, 4742/2.3=6...(28) HB2 ARG 49 - HB2 ARG 140 OK 26 100 - 26 - 4728/1.8=3, 4708/3.0=3...(10) HB ILE 83 - HB2 ARG 140 OK 17 72 - 24 - ~10659=3, 2.1/2519=2...(8) HD2 LYS 36 - HB2 PRO 118 OK 17 73 - 23 - 2445/2.3=3, ~719=2...(13) HG3 ARG 89 - HB2 PRO 118 OK 15 47 - 31 - 1.8/2876=3, ~2875=2...(17) HB2 GLU 81 - HB2 PRO 118 OK 14 85 - 17 - 2445/2.3=3, ~2452=1, ~2452=1 HB2 GLU 81 - HB2 ARG 140 OK 11 100 - 11 - 4708/3.0=1, 4728/1.8=1 HB3 GLU 81 - HB2 PRO 118 poor 9 55 - 16 - 2452/2.3=1, ~2445=1...(4) HB3 GLU 81 - HB2 ARG 140 poor 8 72 - 10 - HB3 ARG 144 - HB2 ARG 140 lone 7 85 - 8 - 7837/4.7=1, 4708/3.0=1 HD2 LYS 36 - HB2 ARG 140 lone 7 92 - 7 - 7837/4.7=1 HB2 ARG 49 - HB2 PRO 118 lone 6 85 - 7 - 3.7/11511=1 HB ILE 83 - HB2 PRO 118 lone 4 55 - 7 - HB3 ARG 144 - HB2 PRO 118 lone 1 67 - 1 - Peak 4719 from cnoeabs.peaks (3.22, 1.93, 30.10 ppm; 3.31 A): 3 out of 12 assignments used, quality = 1.00: * HD2 ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 3.4=95, 2.9/4743=12...(70) HD3 ARG 140 + HB2 ARG 140 OK 94 94 - 100 - 3.4=95, 2.9/4743=12...(69) HD3 ARG 89 + HB2 ARG 140 OK 69 81 - 84 - 1.8/2892=11, 2900=10...(43) HD2 ARG 140 - HB2 PRO 118 OK 44 85 - 52 - 2.9/4743=4, 2.9/4734=4...(34) HD3 ARG 140 - HB2 PRO 118 OK 39 76 - 51 - 2.9/4743=4, 2.9/4734=4...(34) HD3 ARG 124 - HB2 ARG 140 OK 37 96 - 38 - 4738/2.9=3, 4729/1.8=3...(18) HG3 MET 46 - HB2 PRO 118 OK 28 73 - 38 - ~9415=6, 1080/1.8=4...(17) HD3 ARG 89 - HB2 PRO 118 OK 17 63 - 28 - 2899/2.3=3, 1.8/2892=3...(12) HB3 TYR 117 - HB2 PRO 118 OK 11 81 - 13 - ~11703=7, ~9425=2...(4) HG3 MET 46 - HB2 ARG 140 lone 9 92 - 9 - ~1071=1 HB3 TYR 117 - HB2 ARG 140 lone 7 98 - 7 - 4.5/3954=1, 2.7/9426=1 HD3 ARG 124 - HB2 PRO 118 lone 2 79 - 2 - Peak 4720 from cnoeabs.peaks (3.22, 1.93, 30.10 ppm; 3.31 A): 3 out of 14 assignments used, quality = 1.00: * HD3 ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 3.4=95, 2.9/4743=12...(68) HD2 ARG 140 + HB2 ARG 140 OK 94 94 - 100 - 3.4=95, 2.9/4743=12...(69) HD3 ARG 141 + HB2 ARG 140 OK 51 85 - 60 - 6.0/4721=4, 4825/1.8=4...(37) HD3 ARG 140 - HB2 PRO 118 OK 44 85 - 51 - 2.9/4743=4, 2.9/4734=4...(34) HD2 ARG 141 - HB2 ARG 140 OK 41 68 - 61 - 6.0/4721=4, 3.5/4716=4...(37) HD2 ARG 140 - HB2 PRO 118 OK 39 76 - 51 - 2.9/4743=4, 2.9/4734=4...(34) HD3 ARG 124 - HB2 ARG 140 OK 38 100 - 38 - 4253/2.9=4, 4748/2.9=3...(18) HG3 MET 46 - HB2 PRO 118 OK 32 85 - 38 - ~9415=6, 1080/1.8=5...(17) HB3 TYR 117 - HB2 PRO 118 OK 11 85 - 13 - ~11703=7, ~9425=2...(4) HG3 MET 46 - HB2 ARG 140 lone 9 100 - 9 - ~1071=1 HB3 TYR 117 - HB2 ARG 140 lone 7 100 - 7 - 4.5/3954=1, 2.7/9426=1 HD3 ARG 124 - HB2 PRO 118 lone 2 85 - 2 - HD3 ARG 141 - HB2 PRO 118 lone 2 67 - 3 - HD2 ARG 141 - HB2 PRO 118 lone 1 51 - 2 - Peak 4721 from cnoeabs.peaks (8.20, 1.93, 30.10 ppm; 3.94 A): 2 out of 8 assignments used, quality = 0.96: * H ARG 141 + HB2 ARG 140 OK 95 100 - 95 - 4.7=61, 4711/3.0=26...(28) H GLU 142 + HB2 ARG 140 OK 35 89 - 40 - 4.6/7834=11, 7852/1.8=8...(7) H ARG 141 - HB2 PRO 118 OK 21 85 - 25 - 7834=5, 3.6/4705=5...(6) H ARG 124 - HB2 ARG 140 OK 15 77 - 19 - 4740/2.9=4, ~4202=2...(8) H MET 11 - HB2 ARG 140 OK 11 94 - 11 - 2.9/10374=3, 4711/3.0=2...(5) H GLU 142 - HB2 PRO 118 lone 5 70 - 7 - 4.6/7834=2 H MET 11 - HB2 PRO 118 lone 4 76 - 5 - 2.9/10374=1, 4.8/64=1, 4.8/56=1 H ARG 124 - HB2 PRO 118 lone 2 59 - 3 - Peak 4722 from cnoeabs.peaks (4.46, 1.89, 30.10 ppm; 4.02 A): 5 out of 10 assignments used, quality = 0.89: * HA ASP 137 + HB3 ARG 140 OK 75 100 - 75 - 4712/1.8=18, 4650=16...(18) HA SER 103 + HB3 ARG 140 OK 28 96 - 29 - 3.0/10154=6, 4712/1.8=6...(6) HA ASP 41 + HB3 ARG 140 OK 20 100 - 20 - 7814/4.0=5, 10369/3.0=5...(5) HA SER 44 + HB3 ARG 140 OK 15 94 - 16 - 10373/2.9=4, 4712/1.8=3...(6) HA ASP 137 + HB3 ARG 141 OK 12 70 - 17 - 4.9/9717=4, 4650=3...(7) HA3 GLY 31 - HB3 ARG 140 lone 8 98 - 8 - 4712/1.8=2, 10369/3.0=2...(4) HA SER 103 - HB3 ARG 141 poor 7 64 - 11 - 10151/3.0=2, 3.0/10154=2...(5) HA SER 44 - HB3 ARG 141 lone 2 62 - 4 - HA ASP 41 - HB3 ARG 141 lone 2 69 - 3 - HA3 GLY 31 - HB3 ARG 141 lone 1 66 - 2 - Peak 4723 from cnoeabs.peaks (7.99, 1.89, 30.10 ppm; 3.46 A): 2 out of 10 assignments used, quality = 0.98: * H ARG 140 + HB3 ARG 140 OK 96 100 - 96 - 4.0=64, 7824/1.8=19...(42) H ARG 140 + HB3 ARG 141 OK 47 70 - 67 - 7825=11, 3.2/7835=10...(22) H GLN 47 - HB3 ARG 140 OK 34 100 - 34 - 2.9/10473=7, 4713/1.8=5...(10) H ALA 104 - HB3 ARG 140 OK 22 98 - 23 - 4.6/10154=3, 3.6/4722=3...(8) H VAL 73 - HB3 ARG 140 OK 14 100 - 14 - 4703/3.0=3, 4713/1.8=2...(5) H ALA 104 - HB3 ARG 141 OK 11 66 - 17 - 10509/4.4=4, 9206/3.0=2...(6) H VAL 73 - HB3 ARG 141 lone 7 69 - 10 - 7832/4.0=2, 10509/4.4=2 H GLN 47 - HB3 ARG 141 lone 6 69 - 9 - 7832/4.0=2, 10509/4.4=1 H ARG 145 - HB3 ARG 140 lone 5 68 - 7 - H ARG 145 - HB3 ARG 141 lone 3 40 - 7 - 7890/2.8=2 Peak 4724 from cnoeabs.peaks (4.28, 1.89, 30.10 ppm; 3.02 A): 1 out of 20 assignments used, quality = 1.00: * HA ARG 140 + HB3 ARG 140 OK 100 100 - 100 - 3.0=100 HA PRO 118 - HB3 ARG 140 OK 44 99 - 44 - 4742/2.9=5, 4733/2.9=5...(22) HA ARG 140 - HB3 ARG 141 OK 36 70 - 52 - 4711/4.0=11, 4706=8...(24) HA ARG 49 - HB3 ARG 140 OK 24 99 - 24 - 4742/2.9=3, 4733/2.9=3...(7) HA SER 138 - HB3 ARG 140 OK 20 77 - 26 - 4.9/4722=4, 7816/4.0=4...(9) HA SER 138 - HB3 ARG 141 OK 11 47 - 25 - 10469/1.8=6, 9717=4...(8) HA LEU 95 - HB3 ARG 140 OK 11 98 - 11 - 4733/2.9=1, 4742/2.9=1...(4) HA3 GLY 78 - HB3 ARG 140 lone 9 100 - 9 - ~8691=2, 4742/2.9=1 HB THR 99 - HB3 ARG 140 lone 7 81 - 8 - 2.1/9152=3, ~10157=1 HA2 GLY 50 - HB3 ARG 140 lone 5 68 - 7 - 8230/3.4=1 HA ARG 49 - HB3 ARG 141 lone 5 67 - 7 - 7833/4.0=1 HA ALA 135 - HB3 ARG 140 lone 4 62 - 6 - 7816/4.0=1 HA PRO 118 - HB3 ARG 141 lone 3 67 - 4 - 7833/4.0=2 HA LEU 95 - HB3 ARG 141 lone 2 66 - 3 - HB THR 99 - HB3 ARG 141 lone 2 50 - 3 - 2.1/9152=1 HA2 GLY 50 - HB3 ARG 141 lone 1 40 - 2 - HA3 GLY 78 - HB3 ARG 141 lone 1 69 - 1 - HA THR 18 - HB3 ARG 140 lone 1 72 - 1 - HA ALA 135 - HB3 ARG 141 lone 0 37 - 1 - HA THR 18 - HB3 ARG 141 lone 0 43 - 0 - Peak 4725 from cnoeabs.peaks (1.93, 1.89, 30.10 ppm; 2.50 A): 2 out of 28 assignments used, quality = 1.00: * HB2 ARG 140 + HB3 ARG 140 OK 100 100 - 100 - 1.8=100 HB2 ARG 89 + HB3 ARG 140 OK 72 96 - 75 - 2861=11, 2.8/2885=5...(52) HB2 PRO 118 - HB3 ARG 140 OK 41 96 - 43 - 4716=5, 2.3/4724=3...(29) HB2 ARG 140 - HB3 ARG 141 OK 35 70 - 50 - 4716=7, 7834/4.0=5...(27) HB ILE 136 - HB3 ARG 140 OK 24 62 - 39 - ~11575=2, ~11574=2...(19) HG13 ILE 83 - HB3 ARG 140 poor 9 72 - 13 - ~10659=1 HG2 PRO 12 - HB3 ARG 140 lone 9 100 - 9 - 96/1.8=1 HG3 PRO 12 - HB3 ARG 140 lone 7 99 - 7 - HB2 GLN 62 - HB3 ARG 140 lone 7 100 - 7 - 1.8/1766=1 HB2 ARG 89 - HB3 ARG 141 lone 6 64 - 10 - 7834/4.0=2, 2861=1 HB3 PRO 52 - HB3 ARG 140 lone 5 85 - 6 - HG2 PRO 52 - HB3 ARG 140 lone 5 81 - 6 - HB3 LEU 132 - HB3 ARG 140 lone 5 100 - 5 - HB2 LYS 86 - HB3 ARG 140 lone 3 81 - 3 - HB2 PRO 118 - HB3 ARG 141 lone 2 64 - 4 - HB2 MET 59 - HB3 ARG 140 lone 1 92 - 1 - HB2 GLN 62 - HB3 ARG 141 lone 1 70 - 2 - HB ILE 136 - HB3 ARG 141 lone 1 37 - 3 - HB3 LEU 132 - HB3 ARG 141 lone 1 69 - 1 - HG2 PRO 12 - HB3 ARG 141 lone 1 70 - 1 - HB3 GLU 122 - HB3 ARG 140 lone 0 68 - 1 - HG3 PRO 12 - HB3 ARG 141 lone 0 67 - 1 - HG13 ILE 83 - HB3 ARG 141 lone 0 43 - 1 - HB2 LYS 86 - HB3 ARG 141 lone 0 50 - 1 - HB3 PRO 52 - HB3 ARG 141 lone 0 53 - 1 - HG2 PRO 52 - HB3 ARG 141 lone 0 50 - 0 - HB2 MET 59 - HB3 ARG 141 lone 0 59 - 0 - HB3 GLU 122 - HB3 ARG 141 lone 0 40 - 0 - Peak 4726 from cnoeabs.peaks (1.89, 1.89, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 140 + HB3 ARG 140 OK 100 100 - 100 HB3 ARG 141 + HB3 ARG 141 OK 67 67 - 100 Peak 4727 from cnoeabs.peaks (1.65, 1.89, 30.10 ppm; 3.04 A): 3 out of 24 assignments used, quality = 1.00: * HG2 ARG 140 + HB3 ARG 140 OK 100 100 - 100 - 2.9=100 HG2 ARG 89 + HB3 ARG 140 OK 73 81 - 90 - 1.8/2885=11, 2877=9...(76) HG13 ILE 136 + HB3 ARG 140 OK 60 100 - 61 - 3081=5, 4745/2.9=4...(36) HG2 ARG 140 - HB3 ARG 141 OK 43 70 - 61 - 4735=8, 1.8/4744=7...(37) HG2 ARG 124 - HB3 ARG 140 OK 39 92 - 42 - 4229/3.4=4, 4229/3.4=4...(17) HB2 MET 68 - HB3 ARG 141 OK 29 62 - 48 - 1962/1.8=6, 1.8/4780=4...(29) HD3 LYS 93 - HB3 ARG 140 OK 27 99 - 27 - 1.8/3070=3, 3081=3...(9) HD3 LYS 93 - HB3 ARG 141 OK 22 67 - 33 - 1.8/3070=4, 3081=3...(13) HD2 LYS 48 - HB3 ARG 141 OK 16 50 - 32 - 1.8/4791=2, 1969/1.8=2...(14) HB2 MET 68 - HB3 ARG 140 OK 14 94 - 15 - 1965/1.8=2, 7836/4.7=1 HB2 LEU 95 - HB3 ARG 140 OK 10 81 - 12 - HB2 LYS 114 - HB3 ARG 140 lone 9 99 - 9 - 4707/3.0=1 HB VAL 71 - HB3 ARG 140 lone 8 81 - 9 - 2.1/8520=2, ~8520=1 HB2 PRO 57 - HB3 ARG 140 lone 6 98 - 6 - HG2 ARG 89 - HB3 ARG 141 poor 5 50 - 11 - 7836/4.0=2 HD2 LYS 48 - HB3 ARG 140 lone 5 81 - 6 - HG13 ILE 136 - HB3 ARG 141 lone 5 70 - 7 - 7836/4.0=1 HG2 ARG 124 - HB3 ARG 141 lone 4 59 - 6 - HB2 ARG 145 - HB3 ARG 140 lone 3 68 - 4 - HB2 LYS 114 - HB3 ARG 141 lone 2 67 - 2 - HB2 LEU 95 - HB3 ARG 141 lone 2 50 - 3 - HB VAL 71 - HB3 ARG 141 lone 1 50 - 2 - HB2 PRO 57 - HB3 ARG 141 lone 1 66 - 2 - HB2 ARG 145 - HB3 ARG 141 lone 1 40 - 2 - Peak 4728 from cnoeabs.peaks (1.74, 1.89, 30.10 ppm; 2.94 A): 2 out of 16 assignments used, quality = 1.00: * HG3 ARG 140 + HB3 ARG 140 OK 100 100 - 100 - 2.9=100 HG3 ARG 89 + HB3 ARG 140 OK 54 62 - 87 - 1.8/2877=10, 2.8/2861=7...(73) HG3 ARG 140 - HB3 ARG 141 OK 40 70 - 57 - 4744=8, 1.8/4735=6...(32) HB2 ARG 49 - HB3 ARG 140 OK 25 100 - 25 - 4708/3.0=3, 4737/2.9=3...(9) HD2 LYS 36 - HB3 ARG 141 OK 20 59 - 35 - 712/1.8=4, 1.8/4788=3...(15) HB ILE 83 - HB3 ARG 140 OK 16 72 - 22 - ~10659=3, 4737/2.9=2...(6) HB3 ARG 144 - HB3 ARG 141 OK 15 53 - 27 - 3.0/4798=3, 4896/2.8=2...(9) HB2 GLU 81 - HB3 ARG 140 OK 11 100 - 11 - 4708/3.0=1, 4718/1.8=1 HB3 GLU 81 - HB3 ARG 140 poor 8 72 - 10 - HB3 ARG 144 - HB3 ARG 140 lone 7 85 - 8 - 7837/4.7=1, 4708/3.0=1 HD2 LYS 36 - HB3 ARG 140 lone 7 92 - 7 - 7837/4.7=1 HB2 ARG 49 - HB3 ARG 141 lone 5 70 - 7 - 7837/4.0=1 HG3 ARG 89 - HB3 ARG 141 lone 4 37 - 10 - 7837/4.0=2 HB2 GLU 81 - HB3 ARG 141 lone 2 70 - 3 - HB3 GLU 81 - HB3 ARG 141 lone 1 43 - 3 - HB ILE 83 - HB3 ARG 141 lone 1 43 - 2 - Peak 4729 from cnoeabs.peaks (3.22, 1.89, 30.10 ppm; 3.27 A): 4 out of 12 assignments used, quality = 1.00: * HD2 ARG 140 + HB3 ARG 140 OK 99 100 - 99 - 3.4=91, 2.9/4728=12...(66) HD3 ARG 140 + HB3 ARG 140 OK 94 94 - 99 - 3.4=91, 2.9/4728=12...(67) HD3 ARG 89 + HB3 ARG 140 OK 67 81 - 83 - 1.8/2893=10, 2901=9...(43) HD2 ARG 140 + HB3 ARG 141 OK 46 70 - 65 - 2.9/4744=5, 2.9/4735=5...(43) HD3 ARG 124 - HB3 ARG 140 OK 36 96 - 37 - 4738/2.9=3, 4747/2.9=3...(18) HD3 ARG 140 - HB3 ARG 141 OK 34 62 - 56 - 2.9/4744=5, 2.9/4735=5...(36) HG3 MET 46 - HB3 ARG 140 lone 9 92 - 9 - ~1071=1 HB3 TYR 117 - HB3 ARG 140 lone 6 98 - 6 - HD3 ARG 89 - HB3 ARG 141 lone 4 50 - 7 - HD3 ARG 124 - HB3 ARG 141 lone 3 64 - 5 - HG3 MET 46 - HB3 ARG 141 lone 1 59 - 1 - HB3 TYR 117 - HB3 ARG 141 lone 1 66 - 1 - Peak 4730 from cnoeabs.peaks (3.22, 1.89, 30.10 ppm; 3.27 A): 3 out of 14 assignments used, quality = 1.00: * HD3 ARG 140 + HB3 ARG 140 OK 99 100 - 99 - 3.4=91, 2.9/4728=12...(66) HD2 ARG 140 + HB3 ARG 140 OK 94 94 - 99 - 3.4=91, 2.9/4728=12...(65) HD3 ARG 141 + HB3 ARG 141 OK 52 53 - 98 - 3.5=81, 3.0/4807=14...(45) HD3 ARG 141 - HB3 ARG 140 OK 45 85 - 53 - 3.0/4807=7, 3.0/4798=5...(25) HD3 ARG 140 - HB3 ARG 141 OK 42 70 - 60 - 2.9/4744=5, 2.9/4735=5...(36) HD2 ARG 140 - HB3 ARG 141 OK 40 62 - 66 - 2.9/4744=5, 2.9/4735=5...(43) HD2 ARG 141 - HB3 ARG 141 OK 39 40 - 98 - 3.5=81, 3.0/4807=14...(43) HD3 ARG 124 - HB3 ARG 140 OK 37 100 - 37 - 4253/2.9=4, 4748/2.9=3...(18) HD2 ARG 141 - HB3 ARG 140 OK 36 68 - 53 - 3.0/4807=7, 3.0/4798=5...(25) HG3 MET 46 - HB3 ARG 140 lone 10 100 - 10 - ~1071=1 HB3 TYR 117 - HB3 ARG 140 lone 6 100 - 6 - HD3 ARG 124 - HB3 ARG 141 lone 4 70 - 6 - 4249/4.0=1 HG3 MET 46 - HB3 ARG 141 lone 1 70 - 2 - HB3 TYR 117 - HB3 ARG 141 lone 1 69 - 1 - Peak 4731 from cnoeabs.peaks (8.20, 1.89, 30.10 ppm; 3.65 A): 3 out of 8 assignments used, quality = 0.98: * H ARG 141 + HB3 ARG 140 OK 91 100 - 91 - 4.7=48, 4711/3.0=23...(27) H ARG 141 + HB3 ARG 141 OK 67 70 - 96 - 4.0=73, 7841/1.8=24...(23) H GLU 142 + HB3 ARG 141 OK 45 56 - 81 - 4.4=56, 7851/1.8=17...(13) H GLU 142 - HB3 ARG 140 OK 37 89 - 42 - 7852=9, 3.6/4771=8...(9) H ARG 124 - HB3 ARG 140 OK 13 77 - 17 - 4740/2.9=4, 4721/1.8=3...(8) H MET 11 - HB3 ARG 140 lone 9 94 - 9 - 4721/1.8=2, ~10374=2...(4) H MET 11 - HB3 ARG 141 lone 5 62 - 7 - 10974/1.8=2, 4804/2.8=1 H ARG 124 - HB3 ARG 141 lone 2 47 - 4 - Peak 4732 from cnoeabs.peaks (7.99, 1.65, 27.04 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.95: * H ARG 140 + HG2 ARG 140 OK 95 100 - 95 - 4.9=42, 4741/1.8=20...(41) H GLN 47 - HG2 ARG 140 OK 31 100 - 32 - 4741/1.8=7, 4713/2.9=4...(9) H ALA 104 - HG2 ARG 140 OK 16 98 - 17 - 4741/1.8=4, 4723/2.9=3...(4) H VAL 73 - HG2 ARG 140 OK 14 100 - 14 - 4741/1.8=3, 4703/3.8=3...(4) H ARG 145 - HG2 ARG 140 lone 6 68 - 8 - 4741/1.8=1 Peak 4733 from cnoeabs.peaks (4.28, 1.65, 27.04 ppm; 2.94 A): 2 out of 10 assignments used, quality = 0.92: * HA ARG 140 + HG2 ARG 140 OK 88 100 - 88 - 3.8=46, 4742/1.8=15...(35) HA PRO 118 + HG2 ARG 140 OK 38 99 - 39 - 4742/1.8=7, 2.3/4734=4...(15) HA ARG 49 - HG2 ARG 140 OK 21 99 - 22 - 4742/1.8=5, 3.0/4737=3...(9) HA SER 138 - HG2 ARG 140 OK 13 77 - 17 - ~9698=2, 7816/4.9=2...(6) HA LEU 95 - HG2 ARG 140 OK 10 98 - 10 - 4742/1.8=2 HA3 GLY 78 - HG2 ARG 140 lone 8 100 - 8 - ~8691=2, 4742/1.8=1 HB THR 99 - HG2 ARG 140 lone 6 81 - 7 - ~10157=1, ~9152=1 HA ALA 135 - HG2 ARG 140 lone 5 62 - 8 - 3.6/7750=2, 4.9/4596=1 HA2 GLY 50 - HG2 ARG 140 lone 4 68 - 6 - 8230/2.9=1, ~6474=1 HA THR 18 - HG2 ARG 140 lone 1 72 - 1 - Peak 4734 from cnoeabs.peaks (1.93, 1.65, 27.04 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.97: * HB2 ARG 140 + HG2 ARG 140 OK 92 100 - 92 - 2.9=62, 1.8/4735=11...(50) HB2 ARG 89 + HG2 ARG 140 OK 67 96 - 70 - 4743/1.8=8, 1.8/4735=8...(39) HB2 PRO 118 - HG2 ARG 140 OK 33 96 - 35 - 2.3/4733=4, 4743/1.8=4...(9) HB ILE 136 - HG2 ARG 140 OK 26 62 - 41 - 2.1/11574=5, ~11575=3...(21) HG13 ILE 83 - HG2 ARG 140 OK 11 72 - 15 - 3.2/10659=4, 2.1/10023=1...(5) HG2 PRO 12 - HG2 ARG 140 lone 7 100 - 7 - HB2 GLN 62 - HG2 ARG 140 lone 7 100 - 6 - 4735=1 HG3 PRO 12 - HG2 ARG 140 lone 6 99 - 6 - HB3 LEU 132 - HG2 ARG 140 lone 5 100 - 5 - HB3 PRO 52 - HG2 ARG 140 lone 4 85 - 5 - HG2 PRO 52 - HG2 ARG 140 lone 4 81 - 5 - HB2 LYS 86 - HG2 ARG 140 lone 2 81 - 3 - HB2 MET 59 - HG2 ARG 140 lone 2 92 - 2 - HB3 GLU 122 - HG2 ARG 140 lone 0 68 - 1 - Peak 4735 from cnoeabs.peaks (1.89, 1.65, 27.04 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.97: * HB3 ARG 140 + HG2 ARG 140 OK 91 100 - 91 - 2.9=61, 4728/1.8=11...(49) HB3 ARG 89 + HG2 ARG 140 OK 64 92 - 69 - 1.8/4734=8, 4744/1.8=8...(39) HB3 ARG 141 - HG2 ARG 140 OK 42 99 - 43 - 4744/1.8=5, 4727=4...(17) HB ILE 101 - HG2 ARG 140 OK 19 89 - 22 - 2.1/11574=3, 3.2/11574=3...(6) HB3 LYS 93 - HG2 ARG 140 OK 18 100 - 18 - 3041=2, 4744/1.8=2, 1.8/3029=2 HB3 GLN 111 - HG2 ARG 140 OK 14 96 - 14 - ~10374=2, 2.9/3614=2...(4) HB2 LYS 24 - HG2 ARG 140 lone 5 92 - 5 - HB3 LEU 69 - HG2 ARG 140 lone 4 72 - 5 - QE MET 68 - HG2 ARG 140 lone 2 62 - 4 - Peak 4736 from cnoeabs.peaks (1.65, 1.65, 27.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 140 + HG2 ARG 140 OK 100 100 - 100 Peak 4737 from cnoeabs.peaks (1.74, 1.65, 27.04 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 140 + HG2 ARG 140 OK 100 100 - 100 - 1.8=100 HG3 ARG 89 - HG2 ARG 140 OK 42 62 - 68 - 2.8/4734=5, 2.8/4735=5...(48) HB2 ARG 49 - HG2 ARG 140 OK 18 100 - 18 - 3.0/4733=2, 4728/2.9=1...(9) HB ILE 83 - HG2 ARG 140 OK 12 72 - 17 - 2.1/10659=5, 3.0/4734=1 HB2 GLU 81 - HG2 ARG 140 lone 6 100 - 6 - HB3 ARG 144 - HG2 ARG 140 lone 4 85 - 5 - HB3 GLU 81 - HG2 ARG 140 lone 4 72 - 6 - HD2 LYS 36 - HG2 ARG 140 lone 4 92 - 4 - Peak 4738 from cnoeabs.peaks (3.22, 1.65, 27.04 ppm; 2.56 A): 3 out of 6 assignments used, quality = 0.99: * HD2 ARG 140 + HG2 ARG 140 OK 90 100 - 90 - 2.9=66, 4747/1.8=10...(42) HD3 ARG 140 + HG2 ARG 140 OK 85 94 - 90 - 2.9=66, 4747/1.8=10...(41) HD3 ARG 89 + HG2 ARG 140 OK 47 81 - 58 - 2902=5, 4747/1.8=5...(30) HD3 ARG 124 - HG2 ARG 140 OK 27 96 - 28 - 1.8/4244=3, 4747/1.8=3...(13) HG3 MET 46 - HG2 ARG 140 lone 5 92 - 6 - HB3 TYR 117 - HG2 ARG 140 lone 3 98 - 3 - Peak 4739 from cnoeabs.peaks (3.22, 1.65, 27.04 ppm; 2.56 A): 2 out of 7 assignments used, quality = 0.98: * HD3 ARG 140 + HG2 ARG 140 OK 90 100 - 90 - 2.9=66, 4748/1.8=10...(41) HD2 ARG 140 + HG2 ARG 140 OK 85 94 - 90 - 2.9=66, 4748/1.8=9...(42) HD3 ARG 124 - HG2 ARG 140 OK 28 100 - 28 - 1.8/4244=3, 4748/1.8=3...(13) HD3 ARG 141 - HG2 ARG 140 OK 28 85 - 33 - 4748/1.8=3, 3.5/4735=3...(10) HD2 ARG 141 - HG2 ARG 140 OK 22 68 - 33 - 3.5/4735=3, 4748/1.8=2...(10) HG3 MET 46 - HG2 ARG 140 lone 6 100 - 6 - HB3 TYR 117 - HG2 ARG 140 lone 3 100 - 3 - Peak 4740 from cnoeabs.peaks (8.20, 1.65, 27.04 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.95: * H ARG 141 + HG2 ARG 140 OK 93 100 - 93 - 4711/3.8=26, 3.2/4732=22...(28) H GLU 142 + HG2 ARG 140 OK 36 89 - 41 - 4.6/7836=9, 10509/4.9=8...(7) H ARG 124 - HG2 ARG 140 OK 29 77 - 38 - 3.9/4208=5, 3.9/4217=5...(14) H MET 11 - HG2 ARG 140 OK 11 94 - 11 - ~10374=2, 4721/2.9=2...(5) Peak 4741 from cnoeabs.peaks (7.99, 1.74, 27.04 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.96: * H ARG 140 + HG3 ARG 140 OK 96 100 - 96 - 4.9=45, 4732/1.8=22...(46) H GLN 47 - HG3 ARG 140 OK 33 100 - 33 - 4732/1.8=7, 4713/2.9=5...(9) H ALA 104 - HG3 ARG 140 OK 20 98 - 20 - 3.6/10373=4, 4732/1.8=4...(5) H VAL 73 - HG3 ARG 140 OK 14 100 - 14 - 4732/1.8=3, 4703/3.8=3...(4) H ARG 145 - HG3 ARG 140 lone 6 68 - 9 - 4732/1.8=1 Peak 4742 from cnoeabs.peaks (4.28, 1.74, 27.04 ppm; 3.10 A): 2 out of 10 assignments used, quality = 0.95: * HA ARG 140 + HG3 ARG 140 OK 91 100 - 91 - 3.8=54, 4733/1.8=17...(39) HA PRO 118 + HG3 ARG 140 OK 41 99 - 42 - 4733/1.8=7, 2.3/4743=5...(17) HA ARG 49 - HG3 ARG 140 OK 32 99 - 33 - 1240=7, 4733/1.8=4...(13) HA SER 138 - HG3 ARG 140 OK 17 77 - 22 - 4.9/10498=6, 2.9/9698=4...(6) HA LEU 95 - HG3 ARG 140 OK 10 98 - 10 - 4733/1.8=2 HA3 GLY 78 - HG3 ARG 140 lone 9 100 - 9 - ~8691=2, 4733/1.8=1, 3.0/8697=1 HB THR 99 - HG3 ARG 140 lone 7 81 - 8 - ~10157=2, ~9152=1, 4733/1.8=1 HA2 GLY 50 - HG3 ARG 140 lone 6 68 - 8 - 2.9/6474=2, 8230/2.9=1 HA ALA 135 - HG3 ARG 140 lone 3 62 - 6 - HA THR 18 - HG3 ARG 140 lone 1 72 - 1 - Peak 4743 from cnoeabs.peaks (1.93, 1.74, 27.04 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.97: * HB2 ARG 140 + HG3 ARG 140 OK 91 100 - 91 - 2.9=61, 1.8/4728=11...(52) HB2 ARG 89 + HG3 ARG 140 OK 67 96 - 70 - 4734/1.8=8, 1.8/4744=8...(41) HB2 PRO 118 - HG3 ARG 140 OK 34 96 - 36 - 4718=4, 2.3/4742=4...(9) HB ILE 136 - HG3 ARG 140 OK 25 62 - 40 - 2.1/11575=5, ~11574=3...(19) HG13 ILE 83 - HG3 ARG 140 OK 10 72 - 14 - ~10659=2, 4734/1.8=1, ~10023=1 HG2 PRO 12 - HG3 ARG 140 lone 7 100 - 7 - HB2 GLN 62 - HG3 ARG 140 lone 6 100 - 6 - 4744=1 HG3 PRO 12 - HG3 ARG 140 lone 6 99 - 6 - HB3 LEU 132 - HG3 ARG 140 lone 5 100 - 5 - HB3 PRO 52 - HG3 ARG 140 lone 4 85 - 5 - HG2 PRO 52 - HG3 ARG 140 lone 4 81 - 5 - HB2 LYS 86 - HG3 ARG 140 lone 2 81 - 3 - HB2 MET 59 - HG3 ARG 140 lone 1 92 - 1 - HB3 GLU 122 - HG3 ARG 140 lone 0 68 - 1 - Peak 4744 from cnoeabs.peaks (1.89, 1.74, 27.04 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.97: * HB3 ARG 140 + HG3 ARG 140 OK 91 100 - 91 - 2.9=61, 4735/1.8=11...(52) HB3 ARG 89 + HG3 ARG 140 OK 63 92 - 69 - 1.8/4743=8, 4735/1.8=8...(41) HB3 ARG 141 - HG3 ARG 140 OK 42 99 - 43 - 4728=6, 4735/1.8=5...(17) HB ILE 101 - HG3 ARG 140 OK 19 89 - 21 - 2.1/11016=3, 3.2/11575=2...(5) HB3 LYS 93 - HG3 ARG 140 OK 15 100 - 15 - 4735/1.8=2 HB3 GLN 111 - HG3 ARG 140 OK 14 96 - 14 - ~10374=2, 4735/1.8=2...(5) HB2 LYS 24 - HG3 ARG 140 lone 5 92 - 5 - HB3 LEU 69 - HG3 ARG 140 lone 4 72 - 5 - QE MET 68 - HG3 ARG 140 lone 2 62 - 2 - Peak 4745 from cnoeabs.peaks (1.65, 1.74, 27.04 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 140 + HG3 ARG 140 OK 100 100 - 100 - 1.8=100 HG2 ARG 89 + HG3 ARG 140 OK 58 81 - 71 - 2.8/4743=5, 2.8/4744=5...(53) HG13 ILE 136 - HG3 ARG 140 OK 42 100 - 42 - 2.3/11575=5, ~11574=3...(21) HG2 ARG 124 - HG3 ARG 140 OK 28 92 - 30 - 4229/2.9=3, 4229/2.9=3...(11) HD3 LYS 93 - HG3 ARG 140 OK 14 99 - 14 - HB2 MET 68 - HG3 ARG 140 lone 7 94 - 8 - HB2 LYS 114 - HG3 ARG 140 lone 6 99 - 6 - HB2 LEU 95 - HG3 ARG 140 lone 5 81 - 7 - HB2 PRO 57 - HG3 ARG 140 lone 5 98 - 5 - HB VAL 71 - HG3 ARG 140 lone 4 81 - 5 - HD2 LYS 48 - HG3 ARG 140 lone 2 81 - 3 - HB2 ARG 145 - HG3 ARG 140 lone 2 68 - 3 - Peak 4746 from cnoeabs.peaks (1.74, 1.74, 27.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 140 + HG3 ARG 140 OK 100 100 - 100 Peak 4747 from cnoeabs.peaks (3.22, 1.74, 27.04 ppm; 2.72 A): 3 out of 6 assignments used, quality = 1.00: * HD2 ARG 140 + HG3 ARG 140 OK 95 100 - 95 - 2.9=79, 4738/1.8=12...(45) HD3 ARG 140 + HG3 ARG 140 OK 89 94 - 95 - 2.9=79, 4738/1.8=11...(44) HD3 ARG 89 + HG3 ARG 140 OK 51 81 - 62 - 4738/1.8=6, 3.0/4745=5...(32) HD3 ARG 124 - HG3 ARG 140 OK 26 96 - 28 - 4738/1.8=4, 3.0/4745=3...(15) HG3 MET 46 - HG3 ARG 140 lone 6 92 - 7 - HB3 TYR 117 - HG3 ARG 140 lone 4 98 - 4 - Peak 4748 from cnoeabs.peaks (3.22, 1.74, 27.04 ppm; 2.72 A): 2 out of 7 assignments used, quality = 0.99: * HD3 ARG 140 + HG3 ARG 140 OK 95 100 - 95 - 2.9=79, 4739/1.8=12...(44) HD2 ARG 140 + HG3 ARG 140 OK 89 94 - 95 - 2.9=79, 4739/1.8=11...(45) HD3 ARG 141 - HG3 ARG 140 OK 30 85 - 35 - 4739/1.8=4, 3.5/4744=3...(17) HD3 ARG 124 - HG3 ARG 140 OK 27 100 - 27 - 4739/1.8=4, 3.0/4745=3...(14) HD2 ARG 141 - HG3 ARG 140 OK 24 68 - 36 - 3.5/4744=3, 4739/1.8=3...(15) HG3 MET 46 - HG3 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HG3 ARG 140 lone 4 100 - 4 - Peak 4751 from cnoeabs.peaks (4.28, 3.22, 43.34 ppm; 3.50 A): 3 out of 20 assignments used, quality = 0.99: * HA ARG 140 + HD2 ARG 140 OK 93 100 - 93 - 5.4=28, 4733/2.9=15...(52) HA ARG 140 + HD3 ARG 140 OK 75 81 - 92 - 5.4=28, 4733/2.9=15...(50) HA PRO 118 + HD2 ARG 140 OK 48 99 - 49 - 4742/2.9=6, 4733/2.9=6...(29) HA PRO 118 - HD3 ARG 140 OK 38 78 - 49 - 4742/2.9=6, 4733/2.9=6...(29) HA ARG 49 - HD2 ARG 140 OK 26 99 - 26 - 4742/2.9=5, 4733/2.9=4...(10) HA ARG 49 - HD3 ARG 140 OK 20 78 - 26 - 4742/2.9=5, 4733/2.9=4...(10) HA SER 138 - HD2 ARG 140 OK 15 77 - 20 - 4.9/9713=4, 9717/3.4=3...(8) HA3 GLY 78 - HD2 ARG 140 OK 15 100 - 15 - 3.0/8691=4, ~8691=3...(5) HA LEU 95 - HD2 ARG 140 OK 12 98 - 12 - 4733/2.9=2, 4742/2.9=1 HA3 GLY 78 - HD3 ARG 140 OK 11 79 - 14 - 3.0/8691=4, ~8691=3...(5) HA SER 138 - HD3 ARG 140 OK 11 55 - 19 - 4.9/9713=4, 9717/3.4=3...(8) HA LEU 95 - HD3 ARG 140 poor 9 76 - 12 - 4733/2.9=2, 4742/2.9=1 HB THR 99 - HD2 ARG 140 lone 7 81 - 9 - 2.1/10157=2, ~9152=2 HB THR 99 - HD3 ARG 140 lone 5 59 - 9 - ~10157=2, ~9152=2 HA2 GLY 50 - HD2 ARG 140 lone 4 68 - 7 - 8230=1, ~6474=1 HA2 GLY 50 - HD3 ARG 140 lone 3 47 - 7 - 8230/1.8=2, ~6474=1 HA ALA 135 - HD2 ARG 140 lone 3 62 - 5 - HA ALA 135 - HD3 ARG 140 lone 2 43 - 5 - HA THR 18 - HD2 ARG 140 lone 1 72 - 1 - HA THR 18 - HD3 ARG 140 lone 0 51 - 1 - Peak 4752 from cnoeabs.peaks (1.93, 3.22, 43.34 ppm; 2.86 A): 4 out of 28 assignments used, quality = 1.00: * HB2 ARG 140 + HD2 ARG 140 OK 95 100 - 95 - 3.4=61, 4743/2.9=9...(67) HB2 ARG 140 + HD3 ARG 140 OK 77 81 - 95 - 3.4=61, 4743/2.9=9...(65) HB2 ARG 89 + HD2 ARG 140 OK 73 96 - 76 - 4743/2.9=6, 4734/2.9=6...(62) HB2 ARG 89 + HD3 ARG 140 OK 57 74 - 78 - 2865/1.8=7, 4743/2.9=6...(66) HB2 PRO 118 - HD2 ARG 140 OK 39 96 - 40 - 4719=4, 4743/2.9=3...(19) HB ILE 136 - HD2 ARG 140 OK 31 62 - 51 - 2.1/10463=5, ~10334=3...(21) HB2 PRO 118 - HD3 ARG 140 OK 29 74 - 40 - 4743/2.9=3, 4734/2.9=3...(19) HB ILE 136 - HD3 ARG 140 OK 22 43 - 51 - 2.1/10334=5, ~10463=3...(20) HG13 ILE 83 - HD2 ARG 140 OK 10 72 - 14 - ~10659=2, 4734/2.9=1...(4) HG2 PRO 12 - HD2 ARG 140 lone 8 100 - 7 - HG13 ILE 83 - HD3 ARG 140 poor 7 51 - 14 - ~10659=2, 4734/2.9=1...(4) HB2 GLN 62 - HD2 ARG 140 lone 6 100 - 6 - HG3 PRO 12 - HD2 ARG 140 lone 6 99 - 6 - HG2 PRO 12 - HD3 ARG 140 lone 6 80 - 7 - HB3 LEU 132 - HD2 ARG 140 lone 5 100 - 5 - HG3 PRO 12 - HD3 ARG 140 lone 5 78 - 6 - HB2 GLN 62 - HD3 ARG 140 lone 5 80 - 6 - HB3 PRO 52 - HD2 ARG 140 lone 4 85 - 5 - HG2 PRO 52 - HD2 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HD3 ARG 140 lone 4 79 - 5 - HB3 PRO 52 - HD3 ARG 140 lone 3 62 - 4 - HG2 PRO 52 - HD3 ARG 140 lone 3 59 - 4 - HB2 LYS 86 - HD2 ARG 140 lone 2 81 - 3 - HB2 LYS 86 - HD3 ARG 140 lone 2 59 - 3 - HB2 MET 59 - HD2 ARG 140 lone 1 92 - 1 - HB2 MET 59 - HD3 ARG 140 lone 1 69 - 1 - HB3 GLU 122 - HD2 ARG 140 lone 0 68 - 1 - HB3 GLU 122 - HD3 ARG 140 lone 0 47 - 1 - Peak 4753 from cnoeabs.peaks (1.89, 3.22, 43.34 ppm; 2.85 A): 5 out of 18 assignments used, quality = 1.00: * HB3 ARG 140 + HD2 ARG 140 OK 95 100 - 95 - 3.4=61, 4728/2.9=9...(63) HB3 ARG 140 + HD3 ARG 140 OK 76 81 - 95 - 3.4=61, 4728/2.9=9...(63) HB3 ARG 89 + HD2 ARG 140 OK 70 92 - 76 - 4744/2.9=6, 4735/2.9=6...(60) HB3 ARG 89 + HD3 ARG 140 OK 53 69 - 77 - 4744/2.9=6, 4735/2.9=6...(64) HB3 ARG 141 + HD2 ARG 140 OK 52 99 - 53 - 4744/2.9=4, 4735/2.9=4...(34) HB3 ARG 141 - HD3 ARG 140 OK 34 78 - 44 - 4744/2.9=4, 4735/2.9=4...(27) HB ILE 101 - HD2 ARG 140 OK 22 89 - 24 - 2.1/10503=3, ~11016=2...(11) HB3 LYS 93 - HD2 ARG 140 OK 16 100 - 16 - 4735/2.9=2, 4744/2.9=2 HB ILE 101 - HD3 ARG 140 OK 15 66 - 23 - 2.1/10503=2, ~11016=2...(11) HB3 GLN 111 - HD2 ARG 140 OK 15 96 - 15 - ~10374=2, 4744/2.9=1...(5) HB3 LYS 93 - HD3 ARG 140 OK 12 80 - 15 - 4735/2.9=2, 4744/2.9=2 HB3 GLN 111 - HD3 ARG 140 OK 11 74 - 15 - ~10374=2, 4744/2.9=1...(5) HB3 LEU 69 - HD2 ARG 140 poor 8 72 - 11 - 3.2/9929=2, 3.2/8463=1, ~9929=1 HB3 LEU 69 - HD3 ARG 140 poor 5 51 - 11 - 3.2/9929=2, ~9929=1...(4) HB2 LYS 24 - HD2 ARG 140 lone 5 92 - 5 - HB2 LYS 24 - HD3 ARG 140 lone 3 69 - 5 - QE MET 68 - HD2 ARG 140 lone 2 62 - 3 - QE MET 68 - HD3 ARG 140 lone 1 43 - 3 - Peak 4754 from cnoeabs.peaks (1.65, 3.22, 43.34 ppm; 2.63 A): 3 out of 24 assignments used, quality = 0.99: * HG2 ARG 140 + HD2 ARG 140 OK 93 100 - 93 - 2.9=72, 4739/1.8=11...(47) HG2 ARG 140 + HD3 ARG 140 OK 75 81 - 93 - 2.9=72, 4738/1.8=11...(46) HG2 ARG 89 + HD2 ARG 140 OK 56 81 - 69 - 2881=7, 1.8/2889=6...(61) HG13 ILE 136 - HD2 ARG 140 OK 44 100 - 44 - 2.3/10463=4, 4745/2.9=3...(18) HG2 ARG 89 - HD3 ARG 140 OK 41 59 - 70 - 2881/1.8=6, 4745/2.9=5...(63) HG2 ARG 124 - HD2 ARG 140 OK 40 92 - 44 - 1.8/4238=5, 4229=5...(15) HG13 ILE 136 - HD3 ARG 140 OK 36 80 - 44 - 2.3/10334=4, 4745/2.9=3...(18) HG2 ARG 124 - HD3 ARG 140 OK 30 69 - 44 - 1.8/4238=6, 4229=5...(15) HD3 LYS 93 - HD2 ARG 140 OK 13 99 - 13 - 4745/2.9=1 HD3 LYS 93 - HD3 ARG 140 poor 10 78 - 12 - 4745/2.9=1 HB2 MET 68 - HD2 ARG 140 lone 7 94 - 8 - HB2 LEU 95 - HD2 ARG 140 lone 5 81 - 6 - HB2 LYS 114 - HD2 ARG 140 lone 5 99 - 5 - HB2 MET 68 - HD3 ARG 140 lone 5 71 - 7 - HB2 PRO 57 - HD2 ARG 140 lone 4 98 - 4 - HB2 LYS 114 - HD3 ARG 140 lone 4 78 - 5 - HB VAL 71 - HD2 ARG 140 lone 4 81 - 4 - HB2 LEU 95 - HD3 ARG 140 lone 4 59 - 6 - HB2 PRO 57 - HD3 ARG 140 lone 3 76 - 4 - HB VAL 71 - HD3 ARG 140 lone 3 59 - 4 - HB2 ARG 145 - HD2 ARG 140 lone 2 68 - 3 - HD2 LYS 48 - HD2 ARG 140 lone 2 81 - 2 - HB2 ARG 145 - HD3 ARG 140 lone 1 47 - 3 - HD2 LYS 48 - HD3 ARG 140 lone 1 59 - 2 - Peak 4755 from cnoeabs.peaks (1.74, 3.22, 43.34 ppm; 2.66 A): 2 out of 16 assignments used, quality = 0.98: * HG3 ARG 140 + HD2 ARG 140 OK 93 100 - 93 - 2.9=74, 1.8/4738=12...(47) HG3 ARG 140 + HD3 ARG 140 OK 75 81 - 93 - 2.9=74, 1.8/4738=11...(46) HG3 ARG 89 - HD2 ARG 140 OK 42 62 - 68 - 1.8/2881=6, 4737/2.9=5...(62) HG3 ARG 89 - HD3 ARG 140 OK 30 43 - 69 - 4737/2.9=5, ~2881=5...(63) HB2 ARG 49 - HD2 ARG 140 OK 15 100 - 15 - 4737/2.9=2, 4728/3.4=1...(4) HB2 ARG 49 - HD3 ARG 140 OK 12 80 - 15 - 4737/2.9=2, 4728/3.4=1...(4) HB ILE 83 - HD2 ARG 140 OK 10 72 - 14 - ~10659=2, 4737/2.9=1 HB ILE 83 - HD3 ARG 140 poor 7 51 - 14 - ~10659=2, 4737/2.9=1 HB2 GLU 81 - HD2 ARG 140 lone 5 100 - 5 - HB2 GLU 81 - HD3 ARG 140 lone 4 80 - 5 - HB3 GLU 81 - HD2 ARG 140 lone 4 72 - 5 - HB3 ARG 144 - HD2 ARG 140 lone 3 85 - 4 - HD2 LYS 36 - HD2 ARG 140 lone 3 92 - 3 - HB3 GLU 81 - HD3 ARG 140 lone 2 51 - 5 - HD2 LYS 36 - HD3 ARG 140 lone 2 69 - 3 - HB3 ARG 144 - HD3 ARG 140 lone 2 62 - 4 - Peak 4756 from cnoeabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 HD3 ARG 140 + HD3 ARG 140 OK 71 71 - 100 Peak 4757 from cnoeabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD2 ARG 140 + HD2 ARG 140 OK 94 94 - 100 HD3 ARG 140 + HD3 ARG 140 OK 81 81 - 100 Reference assignment not found: HD3 ARG 140 - HD2 ARG 140 Peak 4760 from cnoeabs.peaks (4.28, 3.22, 43.34 ppm; 3.52 A): 3 out of 20 assignments used, quality = 0.99: * HA ARG 140 + HD3 ARG 140 OK 93 100 - 93 - 5.4=28, 4733/2.9=15...(49) HA ARG 140 + HD2 ARG 140 OK 75 81 - 93 - 5.4=28, 4733/2.9=15...(50) HA PRO 118 + HD3 ARG 140 OK 49 99 - 49 - 4742/2.9=6, 4733/2.9=6...(29) HA PRO 118 - HD2 ARG 140 OK 38 78 - 49 - 4742/2.9=6, 4733/2.9=6...(29) HA ARG 49 - HD3 ARG 140 OK 26 99 - 26 - 4742/2.9=5, 4733/2.9=4...(10) HA ARG 49 - HD2 ARG 140 OK 20 78 - 26 - 4742/2.9=5, 4733/2.9=4...(10) HA SER 138 - HD3 ARG 140 OK 15 77 - 19 - 9717/3.4=3, ~9698=3...(8) HA3 GLY 78 - HD3 ARG 140 OK 14 100 - 14 - 3.0/8691=4, ~8691=3...(5) HA LEU 95 - HD3 ARG 140 OK 12 98 - 12 - 4733/2.9=2, 4742/2.9=1 HA3 GLY 78 - HD2 ARG 140 OK 11 79 - 14 - 3.0/8691=4, ~8691=3...(5) HA SER 138 - HD2 ARG 140 OK 11 55 - 19 - 9717/3.4=3, 4.9/9713=3...(8) HA LEU 95 - HD2 ARG 140 poor 9 76 - 12 - 4733/2.9=2, 4742/2.9=1 HB THR 99 - HD3 ARG 140 lone 7 81 - 9 - ~10157=3, ~9152=2 HA2 GLY 50 - HD3 ARG 140 lone 5 68 - 7 - 8230/1.8=2, ~6474=1 HB THR 99 - HD2 ARG 140 lone 5 59 - 8 - ~9152=2, 2.1/10157=1 HA ALA 135 - HD3 ARG 140 lone 3 62 - 5 - HA2 GLY 50 - HD2 ARG 140 lone 2 47 - 5 - ~6474=1 HA ALA 135 - HD2 ARG 140 lone 2 43 - 5 - HA THR 18 - HD3 ARG 140 lone 1 72 - 1 - HA THR 18 - HD2 ARG 140 lone 0 51 - 1 - Peak 4761 from cnoeabs.peaks (1.93, 3.22, 43.34 ppm; 2.93 A): 4 out of 28 assignments used, quality = 1.00: * HB2 ARG 140 + HD3 ARG 140 OK 96 100 - 96 - 3.4=66, 4743/2.9=9...(66) HB2 ARG 140 + HD2 ARG 140 OK 78 81 - 96 - 3.4=66, 4743/2.9=9...(67) HB2 ARG 89 + HD3 ARG 140 OK 77 96 - 80 - 2865/1.8=8, 4743/2.9=7...(67) HB2 ARG 89 + HD2 ARG 140 OK 55 74 - 75 - 4743/2.9=7, 4734/2.9=7...(64) HB2 PRO 118 - HD3 ARG 140 OK 40 96 - 42 - 4719=4, 4743/2.9=3...(20) HB ILE 136 - HD3 ARG 140 OK 33 62 - 52 - ~10463=4, 2.5/10377=4...(22) HB2 PRO 118 - HD2 ARG 140 OK 30 74 - 41 - 4743/2.9=3, 4719=3...(20) HB ILE 136 - HD2 ARG 140 OK 22 43 - 51 - 2.1/10463=4, ~10334=4...(22) HG13 ILE 83 - HD3 ARG 140 OK 11 72 - 15 - ~10659=2, 4734/2.9=1...(4) HG2 PRO 12 - HD3 ARG 140 lone 8 100 - 8 - HG13 ILE 83 - HD2 ARG 140 poor 7 51 - 14 - ~10659=2, 4734/2.9=1...(4) HG2 PRO 12 - HD2 ARG 140 lone 6 80 - 8 - HG3 PRO 12 - HD3 ARG 140 lone 6 99 - 6 - HB2 GLN 62 - HD3 ARG 140 lone 6 100 - 6 - HB2 GLN 62 - HD2 ARG 140 lone 5 80 - 6 - HG3 PRO 12 - HD2 ARG 140 lone 5 78 - 6 - HB3 LEU 132 - HD3 ARG 140 lone 5 100 - 5 - HB3 PRO 52 - HD3 ARG 140 lone 4 85 - 5 - HG2 PRO 52 - HD3 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HD2 ARG 140 lone 4 79 - 5 - HB3 PRO 52 - HD2 ARG 140 lone 3 62 - 5 - HG2 PRO 52 - HD2 ARG 140 lone 3 59 - 4 - HB2 LYS 86 - HD3 ARG 140 lone 2 81 - 3 - HB2 LYS 86 - HD2 ARG 140 lone 2 59 - 3 - HB2 MET 59 - HD3 ARG 140 lone 1 92 - 1 - HB2 MET 59 - HD2 ARG 140 lone 1 69 - 1 - HB3 GLU 122 - HD3 ARG 140 lone 0 68 - 1 - HB3 GLU 122 - HD2 ARG 140 lone 0 47 - 1 - Peak 4762 from cnoeabs.peaks (1.89, 3.22, 43.34 ppm; 2.86 A): 5 out of 18 assignments used, quality = 1.00: * HB3 ARG 140 + HD3 ARG 140 OK 95 100 - 95 - 3.4=61, 4728/2.9=9...(64) HB3 ARG 140 + HD2 ARG 140 OK 76 81 - 95 - 3.4=61, 4728/2.9=9...(63) HB3 ARG 89 + HD3 ARG 140 OK 72 92 - 78 - 4744/2.9=6, 4735/2.9=6...(65) HB3 ARG 89 + HD2 ARG 140 OK 50 69 - 73 - 4744/2.9=6, 4735/2.9=6...(61) HB3 ARG 141 + HD3 ARG 140 OK 48 99 - 49 - 4793=4, 4744/2.9=4...(28) HB3 ARG 141 - HD2 ARG 140 OK 42 78 - 54 - 4744/2.9=4, 4735/2.9=4...(34) HB ILE 101 - HD3 ARG 140 OK 21 89 - 24 - ~11016=2, ~11015=2...(11) HB3 LYS 93 - HD3 ARG 140 OK 16 100 - 15 - 4735/2.9=2, 4744/2.9=2 HB ILE 101 - HD2 ARG 140 OK 15 66 - 23 - ~11016=2, ~11015=2...(11) HB3 GLN 111 - HD3 ARG 140 OK 15 96 - 15 - ~10374=2, 4744/2.9=1...(5) HB3 LYS 93 - HD2 ARG 140 OK 12 80 - 15 - 4735/2.9=2, 4744/2.9=2 HB3 GLN 111 - HD2 ARG 140 OK 11 74 - 15 - ~10374=2, 4744/2.9=1...(5) HB3 LEU 69 - HD3 ARG 140 poor 7 72 - 10 - 3.2/9929=2, ~9929=1, ~8463=1 HB2 LYS 24 - HD3 ARG 140 lone 5 92 - 5 - HB3 LEU 69 - HD2 ARG 140 lone 5 51 - 9 - ~9929=1, 3.2/8463=1 HB2 LYS 24 - HD2 ARG 140 lone 3 69 - 5 - QE MET 68 - HD3 ARG 140 lone 2 62 - 3 - QE MET 68 - HD2 ARG 140 lone 1 43 - 3 - Peak 4763 from cnoeabs.peaks (1.65, 3.22, 43.34 ppm; 2.69 A): 4 out of 24 assignments used, quality = 1.00: * HG2 ARG 140 + HD3 ARG 140 OK 95 100 - 95 - 2.9=77, 4738/1.8=12...(46) HG2 ARG 140 + HD2 ARG 140 OK 76 81 - 94 - 2.9=77, 4739/1.8=12...(47) HG2 ARG 89 + HD3 ARG 140 OK 59 81 - 73 - 2881/1.8=7, 4745/2.9=5...(65) HG13 ILE 136 + HD3 ARG 140 OK 46 100 - 46 - 4745/2.9=3, 2.1/10377=3...(18) HG2 ARG 124 - HD3 ARG 140 OK 43 92 - 46 - 4229=6, 1.8/4238=6...(16) HG2 ARG 89 - HD2 ARG 140 OK 40 59 - 67 - 4745/2.9=5, 2877/3.4=4...(63) HG13 ILE 136 - HD2 ARG 140 OK 36 80 - 44 - 4745/2.9=3, 2.3/10463=3...(18) HG2 ARG 124 - HD2 ARG 140 OK 31 69 - 45 - 4229=6, 1.8/4238=6...(16) HD3 LYS 93 - HD3 ARG 140 OK 13 99 - 13 - 4745/2.9=1 HD3 LYS 93 - HD2 ARG 140 OK 10 78 - 13 - 4745/2.9=1 HB2 MET 68 - HD3 ARG 140 lone 7 94 - 8 - HB2 MET 68 - HD2 ARG 140 lone 6 71 - 8 - HB2 LEU 95 - HD3 ARG 140 lone 5 81 - 7 - HB2 LYS 114 - HD3 ARG 140 lone 5 99 - 5 - HB2 PRO 57 - HD3 ARG 140 lone 4 98 - 4 - HB2 LYS 114 - HD2 ARG 140 lone 4 78 - 5 - HB2 LEU 95 - HD2 ARG 140 lone 4 59 - 6 - HB VAL 71 - HD3 ARG 140 lone 4 81 - 4 - HB2 PRO 57 - HD2 ARG 140 lone 3 76 - 4 - HB VAL 71 - HD2 ARG 140 lone 3 59 - 4 - HB2 ARG 145 - HD3 ARG 140 lone 2 68 - 4 - HD2 LYS 48 - HD3 ARG 140 lone 2 81 - 2 - HB2 ARG 145 - HD2 ARG 140 lone 2 47 - 4 - HD2 LYS 48 - HD2 ARG 140 lone 1 59 - 2 - Peak 4764 from cnoeabs.peaks (1.74, 3.22, 43.34 ppm; 2.72 A): 2 out of 16 assignments used, quality = 0.99: * HG3 ARG 140 + HD3 ARG 140 OK 95 100 - 95 - 2.9=79, 1.8/4739=12...(46) HG3 ARG 140 + HD2 ARG 140 OK 77 81 - 95 - 2.9=79, 1.8/4739=11...(47) HG3 ARG 89 - HD3 ARG 140 OK 45 62 - 72 - 4737/2.9=5, ~2881=5...(67) HG3 ARG 89 - HD2 ARG 140 OK 29 43 - 67 - 4737/2.9=5, 4728/3.4=4...(64) HB2 ARG 49 - HD3 ARG 140 OK 16 100 - 16 - 4737/2.9=2, 4728/3.4=1...(6) HB2 ARG 49 - HD2 ARG 140 OK 13 80 - 16 - 4737/2.9=2, 4728/3.4=1...(5) HB ILE 83 - HD3 ARG 140 OK 11 72 - 15 - ~10659=3, 4737/2.9=1 HB ILE 83 - HD2 ARG 140 poor 7 51 - 15 - ~10659=3, 4737/2.9=1 HB2 GLU 81 - HD3 ARG 140 lone 6 100 - 5 - HB2 GLU 81 - HD2 ARG 140 lone 4 80 - 5 - HB3 GLU 81 - HD3 ARG 140 lone 4 72 - 5 - HB3 ARG 144 - HD3 ARG 140 lone 4 85 - 4 - HD2 LYS 36 - HD3 ARG 140 lone 4 92 - 4 - HB3 GLU 81 - HD2 ARG 140 lone 3 51 - 5 - HB3 ARG 144 - HD2 ARG 140 lone 3 62 - 4 - HD2 LYS 36 - HD2 ARG 140 lone 2 69 - 3 - Peak 4765 from cnoeabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD3 ARG 140 + HD3 ARG 140 OK 94 94 - 100 HD2 ARG 140 + HD2 ARG 140 OK 81 81 - 100 Reference assignment not found: HD2 ARG 140 - HD3 ARG 140 Peak 4766 from cnoeabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 HD2 ARG 140 + HD2 ARG 140 OK 71 71 - 100 Peak 4768 from cnoeabs.peaks (8.20, 4.24, 56.73 ppm; 2.72 A): 2 out of 4 assignments used, quality = 0.95: * H ARG 141 + HA ARG 141 OK 88 100 - 88 - 2.9=80, 7841/3.0=11...(13) H GLU 142 + HA ARG 141 OK 54 89 - 61 - 3.6=44, 7851/3.0=7...(10) H MET 11 - HA ARG 141 lone 3 94 - 3 - H ARG 124 - HA ARG 141 lone 1 77 - 2 - Peak 4769 from cnoeabs.peaks (4.24, 4.24, 56.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 141 + HA ARG 141 OK 100 100 - 100 Peak 4770 from cnoeabs.peaks (1.82, 4.24, 56.73 ppm; 2.85 A): 1 out of 6 assignments used, quality = 0.98: * HB2 ARG 141 + HA ARG 141 OK 98 100 - 98 - 3.0=90, 1.8/4771=16...(32) HB3 MET 68 - HA ARG 141 OK 37 100 - 38 - 4778=7, 1.8/4773=4...(13) HD3 LYS 36 - HA ARG 141 OK 27 100 - 28 - 4788/3.0=3, 4806/3.8=3...(13) HB VAL 80 - HA ARG 141 OK 22 96 - 23 - 4778=4, 4788/3.0=2...(9) HB2 MET 11 - HA ARG 141 lone 4 92 - 5 - HB3 LEU 72 - HA ARG 141 lone 3 62 - 4 - Peak 4771 from cnoeabs.peaks (1.89, 4.24, 56.73 ppm; 2.67 A): 2 out of 9 assignments used, quality = 0.96: * HB3 ARG 141 + HA ARG 141 OK 92 100 - 92 - 3.0=74, 1.8/4770=15...(30) HB3 ARG 140 + HA ARG 141 OK 52 99 - 53 - 4787=7, 7835/2.9=6...(18) HB3 LYS 93 - HA ARG 141 OK 21 100 - 21 - 3.4/4773=2, 4807/3.8=2...(7) HB3 LYS 48 - HA ARG 141 OK 14 72 - 20 - 3.0/10502=5, 2.9/4772=2...(7) HB2 LYS 36 - HA ARG 141 OK 13 62 - 21 - 3.6/4770=2, ~679=2...(7) HB3 ARG 89 - HA ARG 141 poor 8 77 - 11 - 7835/2.9=2, 3.0/2858=2, ~7834=2 HB2 LYS 24 - HA ARG 141 lone 5 77 - 6 - HB ILE 101 - HA ARG 141 lone 3 72 - 4 - HB3 GLN 111 - HA ARG 141 lone 2 85 - 2 - Peak 4772 from cnoeabs.peaks (1.61, 4.24, 56.73 ppm; 2.93 A): 2 out of 13 assignments used, quality = 0.93: * HG2 ARG 141 + HA ARG 141 OK 88 100 - 88 - 3.8=44, 1.8/4805=15...(38) HB2 LEU 97 + HA ARG 141 OK 43 100 - 43 - 3.0/4773=5, 3.1/9122=5...(18) HG2 ARG 144 - HA ARG 141 OK 27 99 - 27 - 4796=6, 4797/3.0=3...(9) HG3 LYS 48 - HA ARG 141 OK 26 98 - 27 - 3.8/10502=5, 3.0/4773=3...(8) HG3 ARG 144 - HA ARG 141 OK 25 85 - 29 - 1.8/4796=4, 4790/3.0=2...(15) HG3 LYS 36 - HA ARG 141 OK 20 72 - 28 - 2.9/4770=3, ~690=2...(11) HG LEU 108 - HA ARG 141 lone 7 100 - 7 - 2.1/9259=3 HG3 ARG 49 - HA ARG 141 lone 4 92 - 5 - HB2 LEU 87 - HA ARG 141 lone 3 89 - 3 - HB3 LEU 64 - HA ARG 141 lone 3 85 - 3 - HB2 LEU 79 - HA ARG 141 lone 2 81 - 2 - HD2 LYS 61 - HA ARG 141 lone 2 72 - 2 - HD3 LYS 61 - HA ARG 141 lone 2 72 - 2 - Peak 4773 from cnoeabs.peaks (1.68, 4.24, 56.73 ppm; 3.17 A): 2 out of 6 assignments used, quality = 0.96: * HG3 ARG 141 + HA ARG 141 OK 93 100 - 93 - 3.8=56, 2.8/4770=15...(37) HG LEU 97 + HA ARG 141 OK 51 100 - 51 - 2.1/9122=7, 4791/3.0=6...(22) HD2 LYS 93 - HA ARG 141 OK 29 98 - 29 - 7844/2.9=3, 4791/3.0=3...(8) HD3 LYS 48 - HA ARG 141 OK 26 85 - 31 - 5.3/10502=4, 3.0/4772=3...(9) HG LEU 26 - HA ARG 141 OK 12 96 - 13 - 4791/3.0=2, 4782/3.0=2...(4) HB2 ARG 145 - HA ARG 141 lone 1 68 - 2 - Peak 4774 from cnoeabs.peaks (3.20, 4.24, 56.73 ppm; 3.50 A): 2 out of 8 assignments used, quality = 0.99: * HD2 ARG 141 + HA ARG 141 OK 91 100 - 91 - 5.2=31, 3.0/4805=16...(39) HD3 ARG 141 + HA ARG 141 OK 90 99 - 91 - 5.2=31, 3.0/4805=16...(39) HD3 ARG 140 - HA ARG 141 OK 44 68 - 65 - 3.4/4771=8, 7846/2.9=5...(42) HD3 ARG 144 - HA ARG 141 OK 18 72 - 25 - 3.0/4796=4, 3.0/4772=3...(15) HD3 ARG 55 - HA ARG 141 lone 5 62 - 8 - HD3 ARG 124 - HA ARG 141 lone 4 62 - 6 - 7846/2.9=1 HA VAL 73 - HA ARG 141 lone 4 77 - 5 - HG3 MET 46 - HA ARG 141 lone 1 72 - 1 - Peak 4775 from cnoeabs.peaks (3.21, 4.24, 56.73 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 141 + HA ARG 141 OK 91 100 - 91 - 5.2=31, 3.0/4805=16...(39) HD2 ARG 141 + HA ARG 141 OK 90 99 - 91 - 5.2=31, 3.0/4805=16...(39) HD3 ARG 140 + HA ARG 141 OK 56 85 - 65 - 3.4/4771=8, 7846/2.9=5...(42) HD3 ARG 124 - HA ARG 141 lone 6 81 - 7 - 7846/2.9=1 HG3 MET 46 - HA ARG 141 lone 1 89 - 1 - HB3 TYR 117 - HA ARG 141 lone 1 77 - 1 - Peak 4776 from cnoeabs.peaks (8.19, 4.24, 56.73 ppm; 2.72 A): 2 out of 3 assignments used, quality = 0.92: H ARG 141 + HA ARG 141 OK 78 89 - 88 - 2.9=80, 7841/3.0=9...(13) * H GLU 142 + HA ARG 141 OK 63 100 - 63 - 3.6=44, 7851/3.0=9...(10) H GLU 131 - HA ARG 141 lone 2 92 - 2 - Peak 4777 from cnoeabs.peaks (8.20, 1.82, 30.40 ppm; 3.29 A): 2 out of 12 assignments used, quality = 0.96: * H ARG 141 + HB2 ARG 141 OK 89 100 - 89 - 4.0=54, 4768/3.0=19...(23) H GLU 142 + HB2 ARG 141 OK 63 89 - 71 - 4.4=41, 7852/1.8=14...(13) H ARG 141 - HB3 MET 68 OK 29 97 - 30 - 7841=8, 2.9/4770=6...(8) H MET 11 - HB3 MET 68 OK 18 90 - 20 - 10974=4, 2.9/13=3...(9) H ARG 141 - HB VAL 80 OK 16 81 - 20 - 7841=5, 2.9/4770=3...(8) H GLU 142 - HB3 MET 68 OK 13 84 - 15 - 3.6/4770=5, 7851=4...(4) H ARG 124 - HB VAL 80 OK 11 56 - 19 - 9476/2.1=5, ~9952=4...(7) H GLU 142 - HB VAL 80 poor 9 66 - 13 - 7851=3, 9958/2.1=3...(5) H MET 11 - HB2 ARG 141 lone 7 94 - 7 - 10974=1, 4804/2.8=1 H MET 11 - HB VAL 80 lone 4 72 - 5 - 2.9/13=1 H ARG 124 - HB3 MET 68 lone 3 72 - 5 - H ARG 124 - HB2 ARG 141 lone 3 77 - 3 - Peak 4778 from cnoeabs.peaks (4.24, 1.82, 30.40 ppm; 3.02 A): 2 out of 15 assignments used, quality = 1.00: * HA ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 3.0=100 HA GLU 142 + HB2 ARG 141 OK 46 81 - 56 - 2.9/7851=11, 4787/1.8=6...(25) HA ARG 141 - HB3 MET 68 OK 42 97 - 43 - 4770=10, 4773/1.8=5...(15) HA ARG 141 - HB VAL 80 OK 22 81 - 27 - 4770=6, 3.0/4788=2...(10) HB THR 92 - HB2 ARG 141 OK 16 96 - 16 - 4787/1.8=3, 4805/2.8=3...(6) HB THR 92 - HB3 MET 68 lone 6 92 - 7 - ~10084=2 HB THR 102 - HB2 ARG 141 lone 6 98 - 6 - 4805/2.8=1, 4787/1.8=1 HA GLU 142 - HB3 MET 68 lone 3 76 - 5 - 2.9/7851=2 HA GLU 142 - HB VAL 80 lone 3 59 - 6 - 2.9/7851=2, ~9958=2 HA LYS 85 - HB2 ARG 141 lone 3 68 - 4 - HB THR 102 - HB VAL 80 lone 2 77 - 3 - HB THR 92 - HB VAL 80 lone 1 75 - 1 - HB THR 102 - HB3 MET 68 lone 1 94 - 1 - HA LYS 85 - HB3 MET 68 lone 1 63 - 1 - HA LYS 85 - HB VAL 80 lone 0 48 - 1 - Peak 4779 from cnoeabs.peaks (1.82, 1.82, 30.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 141 + HB2 ARG 141 OK 100 100 - 100 HB3 MET 68 + HB3 MET 68 OK 97 97 - 100 HB VAL 80 + HB VAL 80 OK 75 75 - 100 Peak 4780 from cnoeabs.peaks (1.89, 1.82, 30.40 ppm; 2.50 A): 2 out of 27 assignments used, quality = 1.00: * HB3 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 1.8=100 HB3 ARG 140 + HB2 ARG 141 OK 48 99 - 48 - 4788=7, 4771/3.0=5...(21) HB3 ARG 141 - HB3 MET 68 OK 38 97 - 39 - 4788=8, 2.8/4806=4...(17) HB3 LYS 93 - HB2 ARG 141 OK 22 100 - 22 - 4807/2.8=2, 4771/3.0=2...(6) HB3 LYS 48 - HB2 ARG 141 OK 20 72 - 27 - 1.8/668=2, 668=2...(7) HB3 ARG 141 - HB VAL 80 OK 19 81 - 23 - 4788=4, 3.0/4770=2...(10) HB2 LYS 36 - HB2 ARG 141 OK 19 62 - 30 - 1.8/679=4, 3.0/690=3...(12) HB2 LYS 36 - HB3 MET 68 OK 12 58 - 21 - 1.8/679=3, 3.0/690=2...(7) HB3 ARG 140 - HB3 MET 68 lone 9 95 - 9 - 4788=1, 4.7/7841=1 HB3 LYS 93 - HB VAL 80 lone 7 80 - 9 - 3036=2 HB3 ARG 89 - HB2 ARG 141 lone 6 77 - 8 - 7835/4.0=1 HB2 LYS 24 - HB2 ARG 141 lone 6 77 - 7 - HB3 LYS 48 - HB3 MET 68 lone 4 67 - 6 - HB3 ARG 140 - HB VAL 80 lone 4 78 - 6 - HB ILE 101 - HB3 MET 68 lone 4 67 - 5 - ~8436=1 HB2 LYS 24 - HB VAL 80 lone 4 56 - 6 - ~8760=1 HB3 ARG 89 - HB3 MET 68 lone 3 72 - 5 - HB3 LYS 93 - HB3 MET 68 lone 3 96 - 3 - HB2 LYS 36 - HB VAL 80 lone 3 44 - 7 - 1.8/679=1, 3.0/690=1 HB2 LYS 24 - HB3 MET 68 lone 3 72 - 4 - HB ILE 101 - HB VAL 80 lone 3 52 - 5 - HB ILE 101 - HB2 ARG 141 lone 2 72 - 3 - HB3 GLN 111 - HB2 ARG 141 lone 2 85 - 2 - HB3 GLN 111 - HB3 MET 68 lone 1 80 - 1 - HB3 LYS 48 - HB VAL 80 lone 1 52 - 2 - HB3 ARG 89 - HB VAL 80 lone 1 56 - 1 - HB3 GLN 111 - HB VAL 80 lone 0 63 - 1 - Peak 4781 from cnoeabs.peaks (1.61, 1.82, 30.40 ppm; 3.05 A): 2 out of 39 assignments used, quality = 1.00: * HG2 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 2.8=100 HB2 LEU 97 + HB2 ARG 141 OK 60 100 - 60 - 4790/1.8=6, 3199/2.8=6...(42) HG2 ARG 141 - HB3 MET 68 OK 45 97 - 46 - 1.8/4806=7, 4797=7...(20) HG2 ARG 144 - HB2 ARG 141 OK 42 99 - 43 - 4797=6, 4798/1.8=5...(15) HG3 LYS 48 - HB2 ARG 141 OK 40 98 - 41 - 4790/1.8=3, 4808/2.8=3...(17) HG3 ARG 144 - HB2 ARG 141 OK 39 85 - 46 - 1.8/4797=5, 4790/1.8=4...(20) HG3 LYS 36 - HB2 ARG 141 OK 38 72 - 53 - 1.8/690=7, 3.0/679=5...(22) HB2 LEU 79 - HB VAL 80 OK 24 59 - 40 - 2371/2.1=3, ~2426=3...(27) HG3 LYS 36 - HB3 MET 68 OK 23 67 - 34 - 1.8/690=5, 3.0/679=4...(15) HG2 ARG 141 - HB VAL 80 OK 22 81 - 27 - 1.8/4806=4, 4797=4...(10) HB2 LEU 79 - HB3 MET 68 OK 12 76 - 15 - 3.1/8429=3, ~8430=3...(7) HB2 LEU 97 - HB VAL 80 OK 10 81 - 13 - ~8754=2, ~10110=1, ~8754=1 HG3 LYS 48 - HB3 MET 68 poor 10 94 - 10 - HG LEU 108 - HB2 ARG 141 lone 9 100 - 9 - ~9259=1 HG3 LYS 36 - HB VAL 80 poor 9 52 - 17 - 1.8/690=2, 701=2...(5) HG LEU 108 - HB3 MET 68 lone 8 97 - 8 - ~9945=2, ~11478=1, ~8427=1 HG3 ARG 49 - HB2 ARG 141 lone 6 92 - 6 - HB2 LEU 79 - HB2 ARG 141 lone 5 81 - 6 - 4.1/6863=1 HB2 LEU 97 - HB3 MET 68 lone 5 97 - 5 - HG3 ARG 49 - HB VAL 80 lone 4 69 - 6 - ~9949=2, ~9986=1 HG LEU 108 - HB VAL 80 lone 4 81 - 5 - ~10546=1 HB2 LEU 87 - HB VAL 80 lone 3 66 - 5 - HG2 ARG 144 - HB3 MET 68 lone 3 95 - 3 - HB2 LEU 87 - HB2 ARG 141 lone 3 89 - 3 - HB3 LEU 64 - HB2 ARG 141 lone 2 85 - 3 - HB3 LEU 64 - HB VAL 80 lone 2 63 - 4 - HG2 ARG 144 - HB VAL 80 lone 2 78 - 3 - HG3 LYS 48 - HB VAL 80 lone 2 77 - 3 - HD2 LYS 61 - HB2 ARG 141 lone 2 72 - 3 - HD3 LYS 61 - HB2 ARG 141 lone 2 72 - 3 - HG3 ARG 144 - HB3 MET 68 lone 2 80 - 2 - HD2 LYS 61 - HB VAL 80 lone 2 52 - 3 - ~8754=1 HD3 LYS 61 - HB VAL 80 lone 2 52 - 3 - ~8754=1 HG3 ARG 144 - HB VAL 80 lone 1 63 - 2 - HG3 ARG 49 - HB3 MET 68 lone 1 87 - 1 - HD2 LYS 61 - HB3 MET 68 lone 1 67 - 1 - HD3 LYS 61 - HB3 MET 68 lone 1 67 - 1 - HB3 LEU 64 - HB3 MET 68 lone 0 80 - 1 - HB2 LEU 87 - HB3 MET 68 lone 0 84 - 0 - Peak 4782 from cnoeabs.peaks (1.68, 1.82, 30.40 ppm; 2.62 A): 2 out of 18 assignments used, quality = 0.98: * HG3 ARG 141 + HB2 ARG 141 OK 97 100 - 97 - 2.8=85, 4807/1.8=15...(52) HG LEU 97 + HB2 ARG 141 OK 50 100 - 50 - 4791/1.8=6, ~10132=4...(32) HG3 ARG 141 - HB3 MET 68 OK 33 97 - 34 - 4806=7, 1.8/4797=4...(14) HD2 LYS 93 - HB2 ARG 141 OK 24 98 - 24 - 4791/1.8=3, 4773/3.0=2...(5) HD3 LYS 48 - HB2 ARG 141 OK 22 85 - 26 - 4791/1.8=3, 4773/3.0=2...(7) HG LEU 26 - HB2 ARG 141 OK 20 96 - 21 - ~10505=6, 4791/1.8=2...(6) HG3 ARG 141 - HB VAL 80 OK 16 81 - 20 - 4806=4, 1.8/4797=2...(5) HG LEU 26 - HB VAL 80 poor 10 75 - 13 - ~10908=3, ~8759=2...(6) HG LEU 97 - HB VAL 80 lone 7 81 - 9 - ~10110=1 HD2 LYS 93 - HB VAL 80 lone 7 77 - 9 - 3069=2 HD3 LYS 48 - HB3 MET 68 lone 6 80 - 7 - HD2 LYS 93 - HB3 MET 68 lone 4 94 - 4 - HG LEU 97 - HB3 MET 68 lone 4 97 - 4 - HB2 ARG 145 - HB2 ARG 141 lone 1 68 - 2 - HB2 ARG 145 - HB3 MET 68 lone 1 63 - 2 - HD3 LYS 48 - HB VAL 80 lone 1 63 - 2 - HG LEU 26 - HB3 MET 68 lone 1 92 - 1 - HB2 ARG 145 - HB VAL 80 lone 0 48 - 1 - Peak 4783 from cnoeabs.peaks (3.20, 1.82, 30.40 ppm; 3.40 A): 3 out of 24 assignments used, quality = 1.00: * HD2 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 3.5=91, 4811/2.8=14...(55) HD3 ARG 141 + HB2 ARG 141 OK 98 99 - 100 - 3.5=91, 4811/2.8=14...(57) HD3 ARG 140 + HB2 ARG 141 OK 47 68 - 70 - 4775/3.0=6, 4811/2.8=6...(48) HD2 ARG 141 - HB3 MET 68 OK 30 97 - 31 - 3.0/4806=6, 4815=4...(11) HD3 ARG 141 - HB3 MET 68 OK 29 95 - 31 - 3.0/4806=6, 3.5/4788=4...(11) HD3 ARG 144 - HB2 ARG 141 OK 26 72 - 36 - 3.0/4797=4, 4810/2.8=3...(21) HD2 ARG 141 - HB VAL 80 OK 13 81 - 16 - 3.0/4806=3, 3.5/4788=2...(7) HD3 ARG 141 - HB VAL 80 OK 12 78 - 16 - 3.0/4806=3, 3.5/4788=2...(7) HD3 ARG 55 - HB2 ARG 141 poor 9 62 - 15 - 1.8/4815=1, 4810/2.8=1 HD3 ARG 124 - HB VAL 80 poor 8 44 - 19 - ~10682=3, 9479/2.1=3...(7) HD3 ARG 140 - HB3 MET 68 poor 8 63 - 12 - 3.4/1973=1 HA VAL 73 - HB3 MET 68 lone 7 72 - 10 - ~6758=2, 3.0/6760=1...(5) HD3 ARG 124 - HB3 MET 68 lone 5 58 - 8 - HD3 ARG 140 - HB VAL 80 lone 4 48 - 8 - ~11574=1, ~11575=1 HD3 ARG 124 - HB2 ARG 141 lone 4 62 - 6 - HA VAL 73 - HB2 ARG 141 lone 3 77 - 4 - HG3 MET 46 - HB3 MET 68 lone 3 67 - 4 - HD3 ARG 144 - HB3 MET 68 lone 1 67 - 2 - HG3 MET 46 - HB2 ARG 141 lone 1 72 - 2 - HG3 MET 46 - HB VAL 80 lone 1 52 - 2 - HD3 ARG 144 - HB VAL 80 lone 1 52 - 2 - HA VAL 73 - HB VAL 80 lone 1 56 - 1 - HD3 ARG 55 - HB3 MET 68 lone 1 58 - 1 - HD3 ARG 55 - HB VAL 80 lone 0 44 - 1 - Peak 4784 from cnoeabs.peaks (3.21, 1.82, 30.40 ppm; 3.40 A): 3 out of 18 assignments used, quality = 1.00: * HD3 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 3.5=91, 4811/2.8=14...(57) HD2 ARG 141 + HB2 ARG 141 OK 98 99 - 100 - 3.5=91, 4811/2.8=14...(55) HD3 ARG 140 + HB2 ARG 141 OK 59 85 - 70 - 4775/3.0=6, 4811/2.8=6...(48) HD3 ARG 141 - HB3 MET 68 OK 30 97 - 31 - 3.0/4806=6, 4824=4...(11) HD2 ARG 141 - HB3 MET 68 OK 29 95 - 31 - 3.0/4806=6, 3.5/4788=4...(11) HD3 ARG 141 - HB VAL 80 OK 13 81 - 16 - 3.0/4806=3, 3.5/4788=2...(7) HD2 ARG 141 - HB VAL 80 OK 13 78 - 16 - 3.0/4806=3, 3.5/4788=2...(7) HD3 ARG 124 - HB VAL 80 OK 12 59 - 20 - 9479/2.1=4, ~10682=3...(7) HD3 ARG 140 - HB3 MET 68 OK 10 80 - 13 - 3.4/1973=1 HD3 ARG 124 - HB3 MET 68 lone 7 76 - 9 - HD3 ARG 140 - HB VAL 80 lone 5 63 - 8 - ~11574=1, ~11575=1 HD3 ARG 124 - HB2 ARG 141 lone 5 81 - 6 - HG3 MET 46 - HB3 MET 68 lone 4 84 - 4 - HB3 TYR 117 - HB VAL 80 lone 3 56 - 6 - ~9955=5 HB3 TYR 117 - HB3 MET 68 lone 2 72 - 2 - 4.5/1968=1 HG3 MET 46 - HB2 ARG 141 lone 2 89 - 2 - HG3 MET 46 - HB VAL 80 lone 2 66 - 2 - HB3 TYR 117 - HB2 ARG 141 lone 1 77 - 1 - Peak 4785 from cnoeabs.peaks (8.19, 1.82, 30.40 ppm; 3.29 A): 2 out of 9 assignments used, quality = 0.94: H ARG 141 + HB2 ARG 141 OK 78 89 - 88 - 4.0=54, 4776/3.0=17...(23) * H GLU 142 + HB2 ARG 141 OK 74 100 - 74 - 4.4=41, 7852/1.8=17...(13) H ARG 141 - HB3 MET 68 OK 23 84 - 28 - 7841=7, 2.9/4770=6...(8) H GLU 131 - HB VAL 80 OK 19 69 - 28 - 9958/2.1=11, ~9554=5...(7) H GLU 142 - HB3 MET 68 OK 16 97 - 16 - 3.6/4770=5, 7851=4...(4) H ARG 141 - HB VAL 80 OK 13 66 - 19 - 7841=4, 9958/2.1=4...(8) H GLU 142 - HB VAL 80 OK 13 81 - 16 - 9958/2.1=5, 7851=4...(5) H GLU 131 - HB2 ARG 141 lone 3 92 - 3 - H GLU 131 - HB3 MET 68 lone 2 87 - 2 - Peak 4786 from cnoeabs.peaks (8.20, 1.89, 30.40 ppm; 3.17 A): 3 out of 8 assignments used, quality = 0.98: * H ARG 141 + HB3 ARG 141 OK 87 100 - 87 - 4.0=48, 7841/1.8=20...(22) H GLU 142 + HB3 ARG 141 OK 59 89 - 66 - 4.4=36, 7851/1.8=13...(13) H ARG 141 + HB3 ARG 140 OK 57 70 - 81 - 4.7=32, 4711/3.0=18...(24) H GLU 142 - HB3 ARG 140 OK 19 56 - 33 - 7852=7, 3.6/4771=6...(8) H ARG 124 - HB3 ARG 140 poor 6 47 - 12 - 4740/2.9=3, 4721/1.8=2...(5) H MET 11 - HB3 ARG 141 lone 6 94 - 6 - 10974/1.8=1 H MET 11 - HB3 ARG 140 lone 4 62 - 7 - 4721/1.8=1, ~10374=1...(4) H ARG 124 - HB3 ARG 141 lone 2 77 - 3 - Peak 4787 from cnoeabs.peaks (4.24, 1.89, 30.40 ppm; 3.07 A): 3 out of 10 assignments used, quality = 1.00: * HA ARG 141 + HB3 ARG 141 OK 100 100 - 100 - 3.0=100 HA ARG 141 + HB3 ARG 140 OK 47 70 - 68 - 4771=12, 2.9/7835=8...(30) HA GLU 142 + HB3 ARG 141 OK 47 81 - 57 - 2.9/7852=11, ~7851=7...(24) HB THR 92 - HB3 ARG 141 OK 20 96 - 21 - 4805/2.8=3, 4778/1.8=2...(10) HB THR 102 - HB3 ARG 141 lone 7 98 - 7 - 4805/2.8=1 HA GLU 142 - HB3 ARG 140 poor 7 50 - 14 - 2.9/7852=5, 7840/4.7=3...(5) HB THR 92 - HB3 ARG 140 lone 5 64 - 9 - 2858/2851=2, 7840/4.7=1 HA LYS 85 - HB3 ARG 141 lone 3 68 - 4 - HB THR 102 - HB3 ARG 140 lone 2 66 - 2 - HA LYS 85 - HB3 ARG 140 lone 0 40 - 1 - Peak 4788 from cnoeabs.peaks (1.82, 1.89, 30.40 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ARG 141 + HB3 ARG 141 OK 100 100 - 100 - 1.8=100 HB3 MET 68 - HB3 ARG 141 OK 37 100 - 37 - 4780=5, 4806/2.8=4...(17) HB2 ARG 141 - HB3 ARG 140 OK 35 70 - 51 - 4780=7, 1973/1.8=5...(22) HD3 LYS 36 - HB3 ARG 141 OK 29 100 - 29 - 4806/2.8=3, 4770/3.0=2...(13) HB VAL 80 - HB3 ARG 141 OK 21 96 - 22 - 4780=3, 4770/3.0=2...(10) HB3 MET 68 - HB3 ARG 140 poor 7 70 - 10 - 4780=1, 7841/4.7=1, 1973/1.8=1 HB2 MET 11 - HB3 ARG 141 lone 4 92 - 5 - HD3 LYS 36 - HB3 ARG 140 lone 4 69 - 5 - HB VAL 80 - HB3 ARG 140 lone 4 64 - 6 - HB3 LEU 72 - HB3 ARG 141 lone 3 62 - 4 - HB2 MET 11 - HB3 ARG 140 lone 1 59 - 2 - HB3 LEU 72 - HB3 ARG 140 lone 1 37 - 2 - Peak 4789 from cnoeabs.peaks (1.89, 1.89, 30.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 141 + HB3 ARG 141 OK 100 100 - 100 HB3 ARG 140 + HB3 ARG 140 OK 67 67 - 100 Peak 4790 from cnoeabs.peaks (1.61, 1.89, 30.40 ppm; 2.84 A): 2 out of 26 assignments used, quality = 1.00: * HG2 ARG 141 + HB3 ARG 141 OK 100 100 - 100 - 2.8=100 HB2 LEU 97 + HB3 ARG 141 OK 55 100 - 55 - 3.2/10132=6, 3199/2.8=5...(32) HG2 ARG 141 - HB3 ARG 140 OK 40 70 - 57 - 1.8/4807=8, 4798=8...(24) HG2 ARG 144 - HB3 ARG 141 OK 37 99 - 37 - 4798=5, 4797/1.8=4...(14) HG3 ARG 144 - HB3 ARG 141 OK 34 85 - 40 - 1.8/4798=4, 4808/2.8=3...(20) HG3 LYS 48 - HB3 ARG 141 OK 32 98 - 33 - 4808/2.8=3, 4772/3.0=2...(10) HG3 LYS 36 - HB3 ARG 141 OK 28 72 - 39 - ~690=4, 701/1.8=3...(18) HG3 ARG 49 - HB3 ARG 140 OK 11 59 - 18 - 1276/2.9=2, 3.0/4728=1 HG LEU 108 - HB3 ARG 141 lone 8 100 - 8 - ~9259=1 HB2 LEU 97 - HB3 ARG 140 lone 7 70 - 10 - 7843/4.7=1, 3.2/10132=1 HG2 ARG 144 - HB3 ARG 140 lone 6 67 - 9 - 4795/4.7=1, 4798=1 HG3 ARG 49 - HB3 ARG 141 lone 5 92 - 6 - HG3 ARG 144 - HB3 ARG 140 lone 4 53 - 7 - HB2 LEU 79 - HB3 ARG 141 lone 4 81 - 4 - HG3 LYS 48 - HB3 ARG 140 lone 3 66 - 5 - HB2 LEU 87 - HB3 ARG 141 lone 3 89 - 3 - HB3 LEU 64 - HB3 ARG 141 lone 3 85 - 3 - HG3 LYS 36 - HB3 ARG 140 lone 2 43 - 5 - HD2 LYS 61 - HB3 ARG 141 lone 2 72 - 3 - HD3 LYS 61 - HB3 ARG 141 lone 2 72 - 3 - HG LEU 108 - HB3 ARG 140 lone 1 70 - 2 - HB3 LEU 64 - HB3 ARG 140 lone 1 53 - 2 - HB2 LEU 79 - HB3 ARG 140 lone 1 50 - 2 - HB2 LEU 87 - HB3 ARG 140 lone 1 56 - 1 - HD2 LYS 61 - HB3 ARG 140 lone 0 43 - 1 - HD3 LYS 61 - HB3 ARG 140 lone 0 43 - 1 - Peak 4791 from cnoeabs.peaks (1.68, 1.89, 30.40 ppm; 2.62 A): 2 out of 12 assignments used, quality = 0.98: * HG3 ARG 141 + HB3 ARG 141 OK 96 100 - 96 - 2.8=84, 1.8/4798=11...(47) HG LEU 97 + HB3 ARG 141 OK 50 100 - 51 - 2.1/10132=6, 4782/1.8=5...(31) HG3 ARG 141 - HB3 ARG 140 OK 36 70 - 51 - 4807=11, 1.8/4798=5...(12) HD2 LYS 93 - HB3 ARG 141 OK 27 98 - 28 - 3070=4, 4782/1.8=2...(9) HD3 LYS 48 - HB3 ARG 141 OK 22 85 - 25 - 4782/1.8=2, 3070=2...(7) HG LEU 26 - HB3 ARG 141 OK 21 96 - 22 - ~10505=6, 4782/1.8=2...(6) HD2 LYS 93 - HB3 ARG 140 OK 13 66 - 20 - 3070=3, 1.8/3081=2...(5) HG LEU 97 - HB3 ARG 140 lone 7 70 - 10 - 7844/4.7=2, 2.1/10132=1 HD3 LYS 48 - HB3 ARG 140 lone 3 53 - 5 - HG LEU 26 - HB3 ARG 140 lone 2 64 - 3 - HB2 ARG 145 - HB3 ARG 141 lone 1 68 - 2 - HB2 ARG 145 - HB3 ARG 140 lone 1 40 - 2 - Peak 4792 from cnoeabs.peaks (3.20, 1.89, 30.40 ppm; 2.92 A): 2 out of 16 assignments used, quality = 0.99: * HD2 ARG 141 + HB3 ARG 141 OK 92 100 - 92 - 3.5=58, 3.0/4807=12...(43) HD3 ARG 141 + HB3 ARG 141 OK 92 99 - 93 - 3.5=58, 3.0/4807=12...(45) HD3 ARG 140 - HB3 ARG 140 OK 38 40 - 95 - 3.4=65, 2.9/4744=9...(64) HD3 ARG 140 - HB3 ARG 141 OK 35 68 - 51 - 2.9/4744=4, 2.9/4735=4...(28) HD2 ARG 141 - HB3 ARG 140 OK 31 70 - 45 - 4816=6, 3.0/4807=6...(23) HD3 ARG 141 - HB3 ARG 140 OK 29 67 - 44 - 4825=6, 3.0/4807=6...(18) HD3 ARG 144 - HB3 ARG 141 OK 19 72 - 27 - 3.0/4798=3, 3.0/4790=2...(8) HD3 ARG 124 - HB3 ARG 140 poor 10 37 - 27 - 4738/2.9=2, ~4247=2...(14) HD3 ARG 55 - HB3 ARG 141 poor 7 62 - 10 - HA VAL 73 - HB3 ARG 140 lone 4 47 - 8 - ~8566=1, ~8574=1, 2157/4.0=1 HD3 ARG 124 - HB3 ARG 141 lone 3 62 - 4 - HG3 MET 46 - HB3 ARG 140 lone 3 43 - 6 - HA VAL 73 - HB3 ARG 141 lone 2 77 - 3 - HD3 ARG 144 - HB3 ARG 140 lone 2 43 - 4 - HG3 MET 46 - HB3 ARG 141 lone 1 72 - 1 - HD3 ARG 55 - HB3 ARG 140 lone 0 37 - 1 - Peak 4793 from cnoeabs.peaks (3.21, 1.89, 30.40 ppm; 2.92 A): 3 out of 12 assignments used, quality = 1.00: * HD3 ARG 141 + HB3 ARG 141 OK 93 100 - 93 - 3.5=58, 3.0/4807=12...(45) HD2 ARG 141 + HB3 ARG 141 OK 91 99 - 92 - 3.5=58, 3.0/4807=12...(43) HD3 ARG 140 + HB3 ARG 140 OK 51 53 - 96 - 3.4=65, 2.9/4744=9...(64) HD3 ARG 140 - HB3 ARG 141 OK 44 85 - 52 - 4811/2.8=4, 2.9/4744=4...(28) HD3 ARG 141 - HB3 ARG 140 OK 31 70 - 45 - 4825=6, 3.0/4807=6...(18) HD2 ARG 141 - HB3 ARG 140 OK 31 67 - 46 - 4816=6, 3.0/4807=6...(24) HD3 ARG 124 - HB3 ARG 140 OK 14 50 - 28 - 4738/2.9=3, 4748/2.9=2...(14) HG3 MET 46 - HB3 ARG 140 lone 4 56 - 7 - HD3 ARG 124 - HB3 ARG 141 lone 4 81 - 4 - HB3 TYR 117 - HB3 ARG 140 lone 2 47 - 4 - HG3 MET 46 - HB3 ARG 141 lone 1 89 - 1 - HB3 TYR 117 - HB3 ARG 141 lone 0 77 - 1 - Peak 4794 from cnoeabs.peaks (8.19, 1.89, 30.40 ppm; 3.17 A): 3 out of 6 assignments used, quality = 0.96: H ARG 141 + HB3 ARG 141 OK 76 89 - 86 - 4.0=48, 7841/1.8=17...(22) * H GLU 142 + HB3 ARG 141 OK 69 100 - 69 - 4.4=36, 7851/1.8=16...(13) H ARG 141 + HB3 ARG 140 OK 44 56 - 78 - 4.7=32, 4711/3.0=14...(24) H GLU 142 - HB3 ARG 140 OK 23 70 - 34 - 7852=9, 3.6/4771=6...(9) H GLU 131 - HB3 ARG 141 lone 2 92 - 3 - H GLU 131 - HB3 ARG 140 lone 0 59 - 1 - Peak 4795 from cnoeabs.peaks (8.20, 1.61, 27.30 ppm; 3.92 A): 2 out of 8 assignments used, quality = 0.98: * H ARG 141 + HG2 ARG 141 OK 95 100 - 95 - 4.9=50, 4804/1.8=22...(29) H GLU 142 + HG2 ARG 141 OK 61 89 - 69 - 7851/2.8=16, 7852/2.8=15...(18) H ARG 141 - HG2 ARG 144 OK 38 96 - 40 - 7843=6, 2.9/4796=5...(15) H GLU 142 - HG2 ARG 144 OK 17 81 - 21 - 3.6/4796=4, 4.6/9753=3...(7) H MET 11 - HG2 ARG 144 lone 8 87 - 10 - 10976/3.9=5, 10968/4.9=3 H MET 11 - HG2 ARG 141 lone 8 94 - 8 - 4804/1.8=2, 10974/2.8=1 H ARG 124 - HG2 ARG 141 lone 3 77 - 4 - H ARG 124 - HG2 ARG 144 lone 1 70 - 1 - Peak 4796 from cnoeabs.peaks (4.24, 1.61, 27.30 ppm; 3.16 A): 2 out of 10 assignments used, quality = 0.96: * HA ARG 141 + HG2 ARG 141 OK 93 100 - 93 - 3.8=56, 4805/1.8=18...(38) HA GLU 142 + HG2 ARG 141 OK 42 81 - 51 - 4805/1.8=8, 2.9/4803=7...(18) HA ARG 141 - HG2 ARG 144 OK 32 96 - 34 - 4772=6, 4772/1.8=4...(12) HB THR 92 - HG2 ARG 144 OK 17 90 - 19 - 9021/1.8=4, 9023/3.0=3...(8) HB THR 92 - HG2 ARG 141 OK 17 96 - 17 - 4805/1.8=4, 9023/2.8=2...(8) HB THR 102 - HG2 ARG 141 lone 6 98 - 6 - 4805/1.8=1 HA GLU 142 - HG2 ARG 144 lone 6 74 - 8 - 3.6/9753=2, 2.9/4803=2 HA LYS 85 - HG2 ARG 144 lone 6 60 - 9 - HA LYS 85 - HG2 ARG 141 lone 3 68 - 4 - HB THR 102 - HG2 ARG 144 lone 1 92 - 1 - Peak 4797 from cnoeabs.peaks (1.82, 1.61, 27.30 ppm; 2.75 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ARG 141 + HG2 ARG 141 OK 100 100 - 100 - 2.8=98, 1.8/4798=12...(54) HB3 MET 68 - HG2 ARG 141 OK 37 100 - 37 - 4806/1.8=6, 4788/2.8=4...(13) HB2 ARG 141 - HG2 ARG 144 OK 34 96 - 36 - 1.8/4798=4, 2.8/4808=3...(14) HD3 LYS 36 - HG2 ARG 144 OK 34 95 - 36 - 1.8/4904=3, 718/3.0=3...(12) HD3 LYS 36 - HG2 ARG 141 OK 34 100 - 34 - 4806/1.8=5, 1.8/4904=3...(14) HB VAL 80 - HG2 ARG 141 OK 20 96 - 21 - 4806/1.8=3, 4788/2.8=2...(6) HB2 MET 11 - HG2 ARG 141 lone 5 92 - 5 - HB3 MET 68 - HG2 ARG 144 lone 3 96 - 3 - HB3 LEU 72 - HG2 ARG 141 lone 3 62 - 4 - HB VAL 80 - HG2 ARG 144 lone 2 90 - 2 - HB2 MET 11 - HG2 ARG 144 lone 1 84 - 1 - HB3 LEU 72 - HG2 ARG 144 lone 1 56 - 2 - Peak 4798 from cnoeabs.peaks (1.89, 1.61, 27.30 ppm; 2.50 A): 2 out of 18 assignments used, quality = 0.96: * HB3 ARG 141 + HG2 ARG 141 OK 92 100 - 92 - 2.8=74, 4807/1.8=14...(41) HB3 ARG 140 + HG2 ARG 141 OK 44 99 - 44 - 4807/1.8=7, 4790=5...(14) HB3 ARG 141 - HG2 ARG 144 OK 30 96 - 31 - 4790=5, 1.8/4797=3...(9) HB3 LYS 48 - HG2 ARG 144 OK 20 65 - 31 - 2.9/1177=2, 4894/3.0=2...(10) HB3 LYS 93 - HG2 ARG 141 OK 19 100 - 19 - 4807/1.8=3, 4780/2.8=1...(5) HB3 LYS 48 - HG2 ARG 141 OK 17 72 - 24 - 4807/1.8=2, 2.9/1177=2...(6) HB2 LYS 36 - HG2 ARG 141 OK 15 62 - 24 - 4807/1.8=2, ~679=2...(7) HB2 LYS 36 - HG2 ARG 144 OK 13 56 - 23 - 3.6/4797=2, 3.0/688=1...(9) HB3 ARG 140 - HG2 ARG 144 lone 6 93 - 7 - 4.7/4795=1 HB2 LYS 24 - HG2 ARG 141 lone 5 77 - 7 - HB3 ARG 89 - HG2 ARG 141 lone 4 77 - 5 - HB ILE 101 - HG2 ARG 141 lone 3 72 - 3 - HB3 LYS 93 - HG2 ARG 144 lone 2 94 - 2 - HB3 ARG 89 - HG2 ARG 144 lone 2 70 - 2 - HB3 GLN 111 - HG2 ARG 141 lone 2 85 - 2 - HB ILE 101 - HG2 ARG 144 lone 1 65 - 1 - HB2 LYS 24 - HG2 ARG 144 lone 1 70 - 1 - HB3 GLN 111 - HG2 ARG 144 lone 0 78 - 0 - Peak 4799 from cnoeabs.peaks (1.61, 1.61, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 141 + HG2 ARG 141 OK 100 100 - 100 HG2 ARG 144 + HG2 ARG 144 OK 93 93 - 100 Peak 4800 from cnoeabs.peaks (1.68, 1.61, 27.30 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 141 + HG2 ARG 141 OK 100 100 - 100 - 1.8=100 HG LEU 97 + HG2 ARG 141 OK 48 100 - 49 - 3211=8, 2.1/3218=4...(24) HG3 ARG 141 - HG2 ARG 144 OK 34 96 - 35 - 4808=7, 4808/1.8=3...(8) HG LEU 26 - HG2 ARG 141 OK 25 96 - 26 - ~10505=8, 3211=3, ~279=2...(10) HD2 LYS 93 - HG2 ARG 141 OK 21 98 - 21 - 4791/2.8=2, 4782/2.8=2...(5) HD3 LYS 48 - HG2 ARG 141 OK 20 85 - 24 - 3.0/1177=2, 1.8/1199=2...(8) HD3 LYS 48 - HG2 ARG 144 OK 17 78 - 22 - 3.0/1177=2, 1.8/1199=2...(6) HG LEU 97 - HG2 ARG 144 lone 8 95 - 9 - 3211=1 HD2 LYS 93 - HG2 ARG 144 lone 3 92 - 3 - HB2 ARG 145 - HG2 ARG 141 lone 2 68 - 4 - HB2 ARG 145 - HG2 ARG 144 lone 2 60 - 4 - 4.0/7890=3 HG LEU 26 - HG2 ARG 144 lone 1 90 - 1 - Peak 4801 from cnoeabs.peaks (3.20, 1.61, 27.30 ppm; 2.60 A): 3 out of 16 assignments used, quality = 0.99: * HD2 ARG 141 + HG2 ARG 141 OK 89 100 - 89 - 3.0=66, 4811/1.8=12...(34) HD3 ARG 141 + HG2 ARG 141 OK 88 99 - 89 - 3.0=66, 4811/1.8=12...(34) HD3 ARG 144 + HG2 ARG 144 OK 57 65 - 88 - 3.0=68, 1.8/4923=6...(44) HD3 ARG 140 - HG2 ARG 141 OK 28 68 - 42 - 4811/1.8=5, 3.4/4798=3...(11) HD2 ARG 141 - HG2 ARG 144 OK 24 96 - 25 - 3.0/4808=3, 4817=3...(6) HD3 ARG 141 - HG2 ARG 144 OK 23 93 - 25 - 3.0/4808=3, 4826=3...(6) HD3 ARG 144 - HG2 ARG 141 OK 14 72 - 20 - 4810/1.8=2, 1.8/4923=2...(7) HD3 ARG 55 - HG2 ARG 144 OK 11 56 - 20 - 1.8/4923=2, ~4898=1...(8) HA VAL 73 - HG2 ARG 144 lone 5 70 - 8 - 3.0/4909=1 HD3 ARG 55 - HG2 ARG 141 lone 5 62 - 7 - HA VAL 73 - HG2 ARG 141 lone 2 77 - 3 - HD3 ARG 140 - HG2 ARG 144 lone 2 60 - 4 - HD3 ARG 124 - HG2 ARG 141 lone 2 62 - 3 - HG3 MET 46 - HG2 ARG 141 lone 1 72 - 1 - HG3 MET 46 - HG2 ARG 144 lone 0 65 - 0 - HD3 ARG 124 - HG2 ARG 144 lone 0 56 - 0 - Peak 4802 from cnoeabs.peaks (3.21, 1.61, 27.30 ppm; 2.60 A): 2 out of 12 assignments used, quality = 0.99: * HD3 ARG 141 + HG2 ARG 141 OK 89 100 - 89 - 3.0=66, 4811/1.8=13...(34) HD2 ARG 141 + HG2 ARG 141 OK 88 99 - 89 - 3.0=66, 4811/1.8=12...(34) HD3 ARG 140 - HG2 ARG 141 OK 36 85 - 42 - 4811/1.8=5, 3.4/4798=3...(11) HD3 ARG 141 - HG2 ARG 144 OK 23 96 - 25 - 4826=3, 3.0/4808=3...(6) HD2 ARG 141 - HG2 ARG 144 OK 22 93 - 24 - 3.0/4808=3, 4817=3...(6) HD3 ARG 140 - HG2 ARG 144 lone 3 78 - 4 - HD3 ARG 124 - HG2 ARG 141 lone 2 81 - 3 - HG3 MET 46 - HG2 ARG 141 lone 1 89 - 1 - HB3 TYR 117 - HG2 ARG 141 lone 0 77 - 0 - HD3 ARG 124 - HG2 ARG 144 lone 0 74 - 0 - HG3 MET 46 - HG2 ARG 144 lone 0 81 - 0 - HB3 TYR 117 - HG2 ARG 144 lone 0 70 - 0 - Peak 4803 from cnoeabs.peaks (8.19, 1.61, 27.30 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.96: H ARG 141 + HG2 ARG 141 OK 84 89 - 95 - 4.9=50, 4812/1.8=20...(29) * H GLU 142 + HG2 ARG 141 OK 73 100 - 73 - 7851/2.8=19, 4812/1.8=18...(18) H ARG 141 - HG2 ARG 144 OK 31 81 - 38 - 7843=5, 2.9/4796=5...(15) H GLU 142 - HG2 ARG 144 OK 21 96 - 22 - 3.6/4796=4, 4.6/9753=3...(8) H GLU 131 - HG2 ARG 141 lone 4 92 - 4 - H GLU 131 - HG2 ARG 144 lone 2 84 - 2 - Peak 4804 from cnoeabs.peaks (8.20, 1.68, 27.30 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.98: * H ARG 141 + HG3 ARG 141 OK 94 100 - 94 - 4.9=47, 7841/2.8=21...(30) H GLU 142 + HG3 ARG 141 OK 61 89 - 69 - 3.6/4805=16, 7851/2.8=15...(17) H MET 11 - HG3 ARG 141 lone 7 94 - 7 - 10974/2.8=1, 4795/1.8=1 H ARG 124 - HG3 ARG 141 lone 3 77 - 3 - Peak 4805 from cnoeabs.peaks (4.24, 1.68, 27.30 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.96: * HA ARG 141 + HG3 ARG 141 OK 96 100 - 96 - 3.8=67, 4770/2.8=17...(37) HA GLU 142 - HG3 ARG 141 OK 43 81 - 53 - 2.9/4812=10, 4796/1.8=7...(17) HB THR 92 - HG3 ARG 141 OK 20 96 - 21 - 4796/1.8=3, 9023/2.8=3...(11) HB THR 102 - HG3 ARG 141 lone 8 98 - 8 - 4796/1.8=1 HA LYS 85 - HG3 ARG 141 lone 3 68 - 4 - Peak 4806 from cnoeabs.peaks (1.82, 1.68, 27.30 ppm; 2.91 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 141 + HG3 ARG 141 OK 100 100 - 100 - 2.8=100 HB3 MET 68 - HG3 ARG 141 OK 41 100 - 41 - 4782=5, 4797/1.8=5...(17) HD3 LYS 36 - HG3 ARG 141 OK 35 100 - 35 - 4797/1.8=4, 4788/2.8=3...(18) HB VAL 80 - HG3 ARG 141 OK 22 96 - 23 - 4782=3, 4797/1.8=3...(8) HB2 MET 11 - HG3 ARG 141 lone 5 92 - 5 - HB3 LEU 72 - HG3 ARG 141 lone 3 62 - 4 - Peak 4807 from cnoeabs.peaks (1.89, 1.68, 27.30 ppm; 2.53 A): 2 out of 9 assignments used, quality = 0.96: * HB3 ARG 141 + HG3 ARG 141 OK 93 100 - 93 - 2.8=76, 4798/1.8=11...(41) HB3 ARG 140 + HG3 ARG 141 OK 44 99 - 45 - 4791=6, 4798/1.8=5...(12) HB3 LYS 93 - HG3 ARG 141 OK 23 100 - 23 - 3040=3, 4798/1.8=2...(6) HB3 LYS 48 - HG3 ARG 141 OK 17 72 - 23 - 2.9/4808=2, 4798/1.8=2...(6) HB2 LYS 36 - HG3 ARG 141 OK 14 62 - 23 - 3.6/4806=2, 4798/1.8=2...(8) HB2 LYS 24 - HG3 ARG 141 lone 6 77 - 7 - HB3 ARG 89 - HG3 ARG 141 lone 4 77 - 5 - HB ILE 101 - HG3 ARG 141 lone 3 72 - 4 - HB3 GLN 111 - HG3 ARG 141 lone 2 85 - 2 - Peak 4808 from cnoeabs.peaks (1.61, 1.68, 27.30 ppm; 2.50 A): 1 out of 13 assignments used, quality = 1.00: * HG2 ARG 141 + HG3 ARG 141 OK 100 100 - 100 - 1.8=100 HB2 LEU 97 - HG3 ARG 141 OK 43 100 - 43 - 3199=5, 1.8/3206=4...(22) HG2 ARG 144 - HG3 ARG 141 OK 32 99 - 32 - 4800=6, 4797/2.8=2...(7) HG3 ARG 144 - HG3 ARG 141 OK 27 85 - 31 - 1.8/4800=4, 4790/2.8=2...(6) HG3 LYS 48 - HG3 ARG 141 OK 26 98 - 27 - 1190=3, 1.8/1179=2...(8) HG3 LYS 36 - HG3 ARG 141 OK 21 72 - 30 - 2.9/4806=3, ~690=2...(8) HG LEU 108 - HG3 ARG 141 lone 5 100 - 5 - HG3 ARG 49 - HG3 ARG 141 lone 4 92 - 4 - HB2 LEU 79 - HG3 ARG 141 lone 3 81 - 3 - HB3 LEU 64 - HG3 ARG 141 lone 2 85 - 2 - HB2 LEU 87 - HG3 ARG 141 lone 2 89 - 2 - HD2 LYS 61 - HG3 ARG 141 lone 2 72 - 2 - HD3 LYS 61 - HG3 ARG 141 lone 1 72 - 2 - Peak 4809 from cnoeabs.peaks (1.68, 1.68, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 141 + HG3 ARG 141 OK 100 100 - 100 Peak 4810 from cnoeabs.peaks (3.20, 1.68, 27.30 ppm; 2.67 A): 2 out of 8 assignments used, quality = 0.99: * HD2 ARG 141 + HG3 ARG 141 OK 92 100 - 92 - 3.0=71, 4802/1.8=11...(40) HD3 ARG 141 + HG3 ARG 141 OK 91 99 - 92 - 3.0=71, 4802/1.8=11...(40) HD3 ARG 140 - HG3 ARG 141 OK 29 68 - 43 - 4802/1.8=4, 3.4/4807=4...(13) HD3 ARG 144 - HG3 ARG 141 OK 17 72 - 24 - 3.0/4808=3, 3.0/4808=2...(7) HD3 ARG 55 - HG3 ARG 141 lone 5 62 - 8 - HA VAL 73 - HG3 ARG 141 lone 2 77 - 3 - HD3 ARG 124 - HG3 ARG 141 lone 2 62 - 3 - HG3 MET 46 - HG3 ARG 141 lone 1 72 - 1 - Peak 4811 from cnoeabs.peaks (3.21, 1.68, 27.30 ppm; 2.67 A): 2 out of 6 assignments used, quality = 0.99: * HD3 ARG 141 + HG3 ARG 141 OK 92 100 - 92 - 3.0=71, 4802/1.8=11...(40) HD2 ARG 141 + HG3 ARG 141 OK 91 99 - 92 - 3.0=71, 4802/1.8=11...(40) HD3 ARG 140 - HG3 ARG 141 OK 36 85 - 43 - 4802/1.8=4, 3.4/4807=4...(13) HD3 ARG 124 - HG3 ARG 141 lone 2 81 - 3 - HG3 MET 46 - HG3 ARG 141 lone 1 89 - 1 - HB3 TYR 117 - HG3 ARG 141 lone 0 77 - 0 - Peak 4812 from cnoeabs.peaks (8.19, 1.68, 27.30 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.95: H ARG 141 + HG3 ARG 141 OK 83 89 - 93 - 4.9=47, 2.9/4805=19...(29) * H GLU 142 + HG3 ARG 141 OK 73 100 - 73 - 7851/2.8=18, 7852/2.8=17...(17) H GLU 131 - HG3 ARG 141 lone 3 92 - 3 - Peak 4814 from cnoeabs.peaks (4.24, 3.20, 43.40 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 141 + HD2 ARG 141 OK 97 100 - 97 - 5.2=47, 4805/3.0=20...(39) HA ARG 141 + HD3 ARG 141 OK 93 96 - 97 - 5.2=47, 4805/3.0=20...(39) HA GLU 142 - HD2 ARG 141 OK 39 81 - 48 - 4805/3.0=9, 4796/3.0=7...(11) HA GLU 142 - HD3 ARG 141 OK 35 74 - 48 - 4805/3.0=9, 4796/3.0=7...(11) HB THR 92 - HD2 ARG 141 OK 20 96 - 21 - 4805/3.0=4, 9023/3.5=4...(8) HB THR 92 - HD3 ARG 141 OK 18 90 - 21 - 4805/3.0=4, 9023/3.5=4...(8) HB THR 102 - HD2 ARG 141 lone 6 98 - 6 - 4805/3.0=2, 4796/3.0=1 HB THR 102 - HD3 ARG 141 lone 6 92 - 6 - 4805/3.0=2, 4796/3.0=1 HA LYS 85 - HD2 ARG 141 lone 3 68 - 5 - HA LYS 85 - HD3 ARG 141 lone 3 60 - 5 - Peak 4815 from cnoeabs.peaks (1.82, 3.20, 43.40 ppm; 3.36 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 141 + HD2 ARG 141 OK 99 100 - 99 - 3.5=87, 2.8/4811=14...(55) HB2 ARG 141 + HD3 ARG 141 OK 95 96 - 99 - 3.5=87, 2.8/4811=14...(57) HB3 MET 68 - HD2 ARG 141 OK 29 100 - 29 - 4806/3.0=6, 4788/3.5=4...(11) HB3 MET 68 - HD3 ARG 141 OK 28 96 - 29 - 4806/3.0=6, 4788/3.5=4...(11) HD3 LYS 36 - HD2 ARG 141 OK 23 100 - 23 - 4806/3.0=5, 4797/3.0=4...(7) HD3 LYS 36 - HD3 ARG 141 OK 21 95 - 23 - 4806/3.0=5, 4797/3.0=4...(7) HB VAL 80 - HD2 ARG 141 OK 14 96 - 15 - 4806/3.0=3, 4788/3.5=2...(6) HB VAL 80 - HD3 ARG 141 OK 13 90 - 15 - 4806/3.0=3, 4788/3.5=2...(7) HB2 MET 11 - HD2 ARG 141 lone 3 92 - 3 - HB2 MET 11 - HD3 ARG 141 lone 3 84 - 3 - HB3 LEU 72 - HD2 ARG 141 lone 2 62 - 3 - HB3 LEU 72 - HD3 ARG 141 lone 2 56 - 3 - Peak 4816 from cnoeabs.peaks (1.89, 3.20, 43.40 ppm; 2.94 A): 2 out of 18 assignments used, quality = 0.99: * HB3 ARG 141 + HD2 ARG 141 OK 93 100 - 93 - 3.5=59, 4807/3.0=12...(43) HB3 ARG 141 + HD3 ARG 141 OK 89 96 - 93 - 3.5=59, 4807/3.0=12...(45) HB3 ARG 140 - HD2 ARG 141 OK 42 99 - 43 - 4807/3.0=6, 4792=4...(23) HB3 ARG 140 - HD3 ARG 141 OK 38 93 - 41 - 4807/3.0=6, 4798/3.0=4...(19) HB3 LYS 48 - HD2 ARG 141 OK 15 72 - 21 - 4807/3.0=2, 4798/3.0=2...(4) HB3 LYS 93 - HD2 ARG 141 OK 15 100 - 15 - 4807/3.0=3, 4798/3.0=2 HB3 LYS 93 - HD3 ARG 141 OK 14 94 - 14 - 4807/3.0=3, 4798/3.0=2 HB3 LYS 48 - HD3 ARG 141 OK 13 65 - 20 - 4807/3.0=2, 4798/3.0=2...(4) HB2 LYS 36 - HD2 ARG 141 poor 7 62 - 11 - 4807/3.0=2, 4798/3.0=2...(5) HB2 LYS 36 - HD3 ARG 141 poor 6 56 - 11 - 4807/3.0=2, 4798/3.0=2...(5) HB2 LYS 24 - HD2 ARG 141 lone 4 77 - 5 - HB2 LYS 24 - HD3 ARG 141 lone 3 70 - 5 - HB3 ARG 89 - HD2 ARG 141 lone 3 77 - 4 - HB3 ARG 89 - HD3 ARG 141 lone 3 70 - 4 - HB ILE 101 - HD2 ARG 141 lone 2 72 - 2 - HB ILE 101 - HD3 ARG 141 lone 1 65 - 2 - HB3 GLN 111 - HD2 ARG 141 lone 1 85 - 1 - HB3 GLN 111 - HD3 ARG 141 lone 1 78 - 1 - Peak 4817 from cnoeabs.peaks (1.61, 3.20, 43.40 ppm; 2.72 A): 2 out of 26 assignments used, quality = 0.99: * HG2 ARG 141 + HD2 ARG 141 OK 94 100 - 94 - 3.0=76, 1.8/4811=13...(40) HG2 ARG 141 + HD3 ARG 141 OK 90 96 - 94 - 3.0=76, 1.8/4811=13...(38) HB2 LEU 97 - HD2 ARG 141 OK 32 100 - 32 - 3199/3.0=4, 4790/3.5=3...(13) HB2 LEU 97 - HD3 ARG 141 OK 30 95 - 32 - 3199/3.0=4, 4790/3.5=3...(13) HG2 ARG 144 - HD2 ARG 141 OK 25 99 - 26 - 4802=4, 4808/3.0=3...(8) HG2 ARG 144 - HD3 ARG 141 OK 25 93 - 27 - 4802=4, 4808/3.0=3...(9) HG3 ARG 144 - HD2 ARG 141 OK 22 85 - 26 - 1.8/4802=3, 4808/3.0=3...(12) HG3 ARG 144 - HD3 ARG 141 OK 21 78 - 27 - 1.8/4802=3, 4808/3.0=3...(12) HG3 LYS 48 - HD2 ARG 141 OK 18 98 - 18 - 4808/3.0=2, 4790/3.5=1 HG3 LYS 48 - HD3 ARG 141 OK 16 92 - 18 - 4808/3.0=2, 4790/3.5=1 HG3 LYS 36 - HD2 ARG 141 OK 13 72 - 18 - 4808/3.0=2, 701/3.5=2...(4) HG3 LYS 36 - HD3 ARG 141 OK 12 65 - 18 - 4808/3.0=2, 701/3.5=2...(4) HG LEU 108 - HD2 ARG 141 lone 3 100 - 3 - HG LEU 108 - HD3 ARG 141 lone 3 95 - 3 - HG3 ARG 49 - HD2 ARG 141 lone 3 92 - 3 - HG3 ARG 49 - HD3 ARG 141 lone 2 84 - 3 - HB2 LEU 79 - HD2 ARG 141 lone 2 81 - 2 - HB2 LEU 79 - HD3 ARG 141 lone 2 74 - 2 - HB2 LEU 87 - HD2 ARG 141 lone 1 89 - 1 - HB3 LEU 64 - HD2 ARG 141 lone 1 85 - 1 - HB2 LEU 87 - HD3 ARG 141 lone 1 81 - 1 - HB3 LEU 64 - HD3 ARG 141 lone 1 78 - 1 - HD2 LYS 61 - HD2 ARG 141 lone 1 72 - 1 - HD3 LYS 61 - HD2 ARG 141 lone 1 72 - 1 - HD2 LYS 61 - HD3 ARG 141 lone 1 65 - 1 - HD3 LYS 61 - HD3 ARG 141 lone 1 65 - 1 - Peak 4818 from cnoeabs.peaks (1.68, 3.20, 43.40 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 141 + HD2 ARG 141 OK 99 100 - 99 - 3.0=93, 4811/1.8=15...(43) HG3 ARG 141 + HD3 ARG 141 OK 94 96 - 99 - 3.0=93, 4811/1.8=15...(42) HG LEU 97 - HD2 ARG 141 OK 37 100 - 37 - 4800/3.0=4, 4791/3.5=4...(20) HG LEU 97 - HD3 ARG 141 OK 35 95 - 37 - 4800/3.0=4, 4791/3.5=4...(20) HG LEU 26 - HD2 ARG 141 OK 21 96 - 22 - ~10505=8, 4800/3.0=2...(10) HG LEU 26 - HD3 ARG 141 OK 19 90 - 22 - ~10505=8, 4800/3.0=2...(10) HD2 LYS 93 - HD2 ARG 141 OK 15 98 - 15 - 4791/3.5=2, 4800/3.0=2...(4) HD3 LYS 48 - HD2 ARG 141 OK 14 85 - 16 - 4800/3.0=2, 4791/3.5=2...(5) HD2 LYS 93 - HD3 ARG 141 OK 14 92 - 15 - 4791/3.5=2, 4800/3.0=2...(4) HD3 LYS 48 - HD3 ARG 141 OK 13 78 - 16 - 4800/3.0=2, 4791/3.5=2...(4) HB2 ARG 145 - HD2 ARG 141 lone 4 68 - 5 - 3.0/10388=1 HB2 ARG 145 - HD3 ARG 141 lone 3 60 - 5 - 3.0/10388=1 Peak 4819 from cnoeabs.peaks (3.20, 3.20, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 141 + HD2 ARG 141 OK 100 100 - 100 HD3 ARG 141 + HD3 ARG 141 OK 93 93 - 100 Peak 4820 from cnoeabs.peaks (3.21, 3.20, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 141 + HD2 ARG 141 OK 99 99 - 100 HD3 ARG 141 + HD3 ARG 141 OK 96 96 - 100 Reference assignment not found: HD3 ARG 141 - HD2 ARG 141 Peak 4823 from cnoeabs.peaks (4.24, 3.21, 43.40 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 141 + HD3 ARG 141 OK 97 100 - 97 - 5.2=47, 4805/3.0=20...(39) HA ARG 141 + HD2 ARG 141 OK 93 96 - 97 - 5.2=47, 4805/3.0=20...(39) HA GLU 142 - HD3 ARG 141 OK 39 81 - 48 - 4805/3.0=9, 4796/3.0=7...(11) HA GLU 142 - HD2 ARG 141 OK 35 74 - 48 - 4805/3.0=9, 4796/3.0=7...(11) HB THR 92 - HD3 ARG 141 OK 21 96 - 21 - 4805/3.0=4, 9023/3.5=4...(8) HB THR 92 - HD2 ARG 141 OK 19 90 - 21 - 4805/3.0=4, 9023/3.5=4...(8) HB THR 102 - HD3 ARG 141 lone 6 98 - 6 - 4805/3.0=2, 4796/3.0=1 HB THR 102 - HD2 ARG 141 lone 6 92 - 6 - 4805/3.0=2, 4796/3.0=1 HA LYS 85 - HD3 ARG 141 lone 3 68 - 5 - HA LYS 85 - HD2 ARG 141 lone 3 60 - 5 - Peak 4824 from cnoeabs.peaks (1.82, 3.21, 43.40 ppm; 3.36 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 141 + HD3 ARG 141 OK 99 100 - 99 - 3.5=87, 2.8/4811=14...(57) HB2 ARG 141 + HD2 ARG 141 OK 95 96 - 99 - 3.5=87, 2.8/4811=14...(55) HB3 MET 68 - HD3 ARG 141 OK 29 100 - 29 - 4806/3.0=6, 4788/3.5=4...(11) HB3 MET 68 - HD2 ARG 141 OK 28 96 - 29 - 4806/3.0=6, 4788/3.5=4...(11) HD3 LYS 36 - HD3 ARG 141 OK 23 100 - 23 - 4806/3.0=5, 4797/3.0=4...(7) HD3 LYS 36 - HD2 ARG 141 OK 21 95 - 23 - 4806/3.0=5, 4797/3.0=4...(7) HB VAL 80 - HD3 ARG 141 OK 14 96 - 15 - 4806/3.0=3, 4788/3.5=2...(7) HB VAL 80 - HD2 ARG 141 OK 13 90 - 15 - 4806/3.0=3, 4788/3.5=2...(7) HB2 MET 11 - HD3 ARG 141 lone 3 92 - 3 - HB2 MET 11 - HD2 ARG 141 lone 3 84 - 3 - HB3 LEU 72 - HD3 ARG 141 lone 2 62 - 3 - HB3 LEU 72 - HD2 ARG 141 lone 2 56 - 3 - Peak 4825 from cnoeabs.peaks (1.89, 3.21, 43.40 ppm; 2.94 A): 2 out of 18 assignments used, quality = 0.99: * HB3 ARG 141 + HD3 ARG 141 OK 93 100 - 93 - 3.5=59, 4807/3.0=12...(45) HB3 ARG 141 + HD2 ARG 141 OK 89 96 - 93 - 3.5=59, 4807/3.0=12...(43) HB3 ARG 140 - HD3 ARG 141 OK 43 99 - 43 - 4807/3.0=6, 4793=4...(19) HB3 ARG 140 - HD2 ARG 141 OK 41 93 - 44 - 4807/3.0=6, 4798/3.0=4...(24) HB3 LYS 48 - HD3 ARG 141 OK 15 72 - 20 - 4807/3.0=2, 4798/3.0=2...(4) HB3 LYS 93 - HD3 ARG 141 OK 15 100 - 15 - 4807/3.0=3, 4798/3.0=2 HB3 LYS 93 - HD2 ARG 141 OK 14 94 - 14 - 4807/3.0=3, 4798/3.0=2 HB3 LYS 48 - HD2 ARG 141 OK 13 65 - 20 - 4807/3.0=2, 4798/3.0=2...(4) HB2 LYS 36 - HD3 ARG 141 poor 7 62 - 11 - 4807/3.0=2, 4798/3.0=2...(5) HB2 LYS 36 - HD2 ARG 141 poor 6 56 - 11 - 4807/3.0=2, 4798/3.0=2...(5) HB2 LYS 24 - HD3 ARG 141 lone 4 77 - 5 - HB2 LYS 24 - HD2 ARG 141 lone 3 70 - 5 - HB3 ARG 89 - HD3 ARG 141 lone 3 77 - 4 - HB3 ARG 89 - HD2 ARG 141 lone 3 70 - 4 - HB ILE 101 - HD3 ARG 141 lone 2 72 - 2 - HB ILE 101 - HD2 ARG 141 lone 1 65 - 2 - HB3 GLN 111 - HD3 ARG 141 lone 1 85 - 1 - HB3 GLN 111 - HD2 ARG 141 lone 1 78 - 1 - Peak 4826 from cnoeabs.peaks (1.61, 3.21, 43.40 ppm; 2.72 A): 2 out of 26 assignments used, quality = 0.99: * HG2 ARG 141 + HD3 ARG 141 OK 94 100 - 94 - 3.0=76, 1.8/4811=14...(38) HG2 ARG 141 + HD2 ARG 141 OK 90 96 - 94 - 3.0=76, 1.8/4811=13...(40) HB2 LEU 97 - HD3 ARG 141 OK 32 100 - 32 - 3199/3.0=4, 4790/3.5=3...(13) HB2 LEU 97 - HD2 ARG 141 OK 30 95 - 32 - 3199/3.0=4, 4790/3.5=3...(13) HG2 ARG 144 - HD3 ARG 141 OK 26 99 - 27 - 4802=4, 4808/3.0=3...(9) HG3 ARG 144 - HD3 ARG 141 OK 23 85 - 27 - 1.8/4802=3, 4808/3.0=3...(12) HG2 ARG 144 - HD2 ARG 141 OK 23 93 - 24 - 4802=4, 4808/3.0=3...(7) HG3 ARG 144 - HD2 ARG 141 OK 19 78 - 25 - 1.8/4802=3, 4808/3.0=3...(11) HG3 LYS 48 - HD3 ARG 141 OK 18 98 - 18 - 4808/3.0=2, 4790/3.5=1 HG3 LYS 48 - HD2 ARG 141 OK 17 92 - 18 - 4808/3.0=2, 4790/3.5=1 HG3 LYS 36 - HD3 ARG 141 OK 13 72 - 18 - 4808/3.0=2, 701/3.5=2...(4) HG3 LYS 36 - HD2 ARG 141 OK 12 65 - 18 - 4808/3.0=2, 701/3.5=2...(4) HG LEU 108 - HD3 ARG 141 lone 3 100 - 3 - HG LEU 108 - HD2 ARG 141 lone 3 95 - 3 - HG3 ARG 49 - HD3 ARG 141 lone 3 92 - 3 - HG3 ARG 49 - HD2 ARG 141 lone 3 84 - 3 - HB2 LEU 79 - HD3 ARG 141 lone 2 81 - 2 - HB2 LEU 79 - HD2 ARG 141 lone 2 74 - 2 - HB2 LEU 87 - HD3 ARG 141 lone 1 89 - 1 - HB3 LEU 64 - HD3 ARG 141 lone 1 85 - 1 - HB2 LEU 87 - HD2 ARG 141 lone 1 81 - 1 - HB3 LEU 64 - HD2 ARG 141 lone 1 78 - 1 - HD2 LYS 61 - HD3 ARG 141 lone 1 72 - 1 - HD3 LYS 61 - HD3 ARG 141 lone 1 72 - 1 - HD2 LYS 61 - HD2 ARG 141 lone 1 65 - 1 - HD3 LYS 61 - HD2 ARG 141 lone 1 65 - 1 - Peak 4827 from cnoeabs.peaks (1.68, 3.21, 43.40 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 141 + HD3 ARG 141 OK 99 100 - 99 - 3.0=93, 4811/1.8=15...(42) HG3 ARG 141 + HD2 ARG 141 OK 94 96 - 99 - 3.0=93, 4811/1.8=15...(43) HG LEU 97 - HD3 ARG 141 OK 37 100 - 37 - 4800/3.0=4, 4791/3.5=4...(20) HG LEU 97 - HD2 ARG 141 OK 35 95 - 37 - 4800/3.0=4, 4791/3.5=4...(20) HG LEU 26 - HD3 ARG 141 OK 21 96 - 22 - ~10505=8, 4800/3.0=2...(10) HG LEU 26 - HD2 ARG 141 OK 19 90 - 22 - ~10505=8, 4800/3.0=2...(10) HD2 LYS 93 - HD3 ARG 141 OK 15 98 - 15 - 4791/3.5=2, 4800/3.0=2...(4) HD3 LYS 48 - HD3 ARG 141 OK 14 85 - 16 - 4800/3.0=2, 4791/3.5=2...(5) HD2 LYS 93 - HD2 ARG 141 OK 14 92 - 15 - 4791/3.5=2, 4800/3.0=2...(4) HD3 LYS 48 - HD2 ARG 141 OK 13 78 - 16 - 4800/3.0=2, 4791/3.5=2...(4) HB2 ARG 145 - HD3 ARG 141 lone 3 68 - 5 - 3.0/10388=1 HB2 ARG 145 - HD2 ARG 141 lone 3 60 - 5 - 3.0/10388=1 Peak 4828 from cnoeabs.peaks (3.20, 3.21, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 141 + HD3 ARG 141 OK 99 99 - 100 HD2 ARG 141 + HD2 ARG 141 OK 96 96 - 100 Reference assignment not found: HD2 ARG 141 - HD3 ARG 141 Peak 4829 from cnoeabs.peaks (3.21, 3.21, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 141 + HD3 ARG 141 OK 100 100 - 100 HD2 ARG 141 + HD2 ARG 141 OK 93 93 - 100 Peak 4831 from cnoeabs.peaks (8.19, 4.25, 56.56 ppm; 2.79 A): 2 out of 3 assignments used, quality = 0.96: * H GLU 142 + HA GLU 142 OK 94 100 - 94 - 2.9=85, 7858/3.0=15...(16) H ARG 141 + HA GLU 142 OK 34 89 - 38 - 4.6/7857=6, 7840=5...(18) H GLU 131 - HA GLU 142 OK 19 92 - 21 - 4845/3.0=4, 4838/3.0=4...(8) Peak 4832 from cnoeabs.peaks (4.25, 4.25, 56.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 142 + HA GLU 142 OK 100 100 - 100 Peak 4833 from cnoeabs.peaks (1.98, 4.25, 56.56 ppm; 2.76 A): 1 out of 7 assignments used, quality = 0.95: * HB2 GLU 142 + HA GLU 142 OK 95 100 - 95 - 3.0=78, 1.8/4846=21...(30) HB3 GLU 75 - HA GLU 142 OK 21 92 - 23 - 4847/3.0=4, 4854/4.0=3...(9) HB3 ARG 124 - HA GLU 142 OK 10 85 - 12 - 3.0/10379=3, 4847/3.0=1 QE MET 113 - HA GLU 142 lone 6 92 - 6 - HB2 GLN 111 - HA GLU 142 lone 5 72 - 6 - HB VAL 63 - HA GLU 142 lone 3 96 - 3 - QE MET 59 - HA GLU 142 lone 3 98 - 3 - Peak 4834 from cnoeabs.peaks (2.10, 4.25, 56.56 ppm; 2.66 A): 3 out of 8 assignments used, quality = 0.95: * HB3 GLU 142 + HA GLU 142 OK 92 100 - 92 - 3.0=71, 1.8/4833=20...(28) HB2 GLU 131 + HA GLU 142 OK 31 85 - 36 - 2.9/4836=5, 4440/2.9=5...(16) HG2 PRO 33 + HA GLU 142 OK 10 100 - 10 - 4841/3.0=2 HG3 PRO 33 - HA GLU 142 lone 9 92 - 9 - 4841/3.0=1 HB3 LYS 36 - HA GLU 142 lone 6 96 - 6 - 7859/2.9=1, 7867/3.6=1 HB3 GLN 25 - HA GLU 142 lone 5 100 - 5 - HG2 PRO 118 - HA GLU 142 lone 2 85 - 2 - HB VAL 53 - HA GLU 142 lone 1 100 - 1 - Peak 4835 from cnoeabs.peaks (2.32, 4.25, 56.56 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.91: * HG2 GLU 142 + HA GLU 142 OK 87 100 - 87 - 4.0=42, 4849/3.0=19...(20) HG3 GLU 120 + HA GLU 142 OK 27 94 - 29 - 4849/3.0=6, 4842/3.0=6...(9) HB3 GLN 47 - HA GLU 142 lone 5 77 - 6 - 4842/3.0=2, 4849/3.0=1 Peak 4836 from cnoeabs.peaks (2.27, 4.25, 56.56 ppm; 2.90 A): 5 out of 8 assignments used, quality = 0.94: * HG3 GLU 142 + HA GLU 142 OK 84 100 - 84 - 4.0=38, 1.8/4835=28...(15) HG2 GLU 131 + HA GLU 142 OK 41 100 - 41 - 4850/3.0=6, 4843/3.0=6...(17) HG3 PRO 129 + HA GLU 142 OK 16 81 - 20 - 3.8/10379=4, 2.3/4834=3...(7) HG3 GLU 75 + HA GLU 142 OK 11 62 - 18 - 3.0/4833=4, ~2227=2...(7) HB3 MET 113 + HA GLU 142 OK 10 100 - 10 - 4843/3.0=2, 4850/3.0=2 HG2 GLU 90 - HA GLU 142 lone 2 100 - 2 - HG2 GLN 62 - HA GLU 142 lone 2 68 - 3 - 3.9/10379=1 HG3 GLU 81 - HA GLU 142 lone 1 72 - 2 - Peak 4837 from cnoeabs.peaks (8.27, 4.25, 56.56 ppm; 3.25 A): 2 out of 5 assignments used, quality = 0.92: * H GLY 143 + HA GLU 142 OK 90 100 - 90 - 3.6=75, 7862/2.9=17...(9) H ASP 32 + HA GLU 142 OK 15 92 - 16 - 4851/3.0=3, 4844/3.0=3...(8) H GLN 25 - HA GLU 142 lone 9 98 - 9 - 4851/3.0=2, 7862/2.9=2 H ALA 105 - HA GLU 142 poor 7 68 - 10 - 4.6/10510=6, 7862/2.9=1 H LEU 39 - HA GLU 142 lone 4 100 - 4 - Peak 4838 from cnoeabs.peaks (8.19, 1.98, 29.77 ppm; 3.22 A): 3 out of 3 assignments used, quality = 0.95: * H GLU 142 + HB2 GLU 142 OK 89 100 - 89 - 4.0=51, 2.9/4833=20...(16) H ARG 141 + HB2 GLU 142 OK 38 89 - 43 - 4.6/7858=11, 4845/1.8=8...(13) H GLU 131 + HB2 GLU 142 OK 31 92 - 34 - 4845/1.8=8, 7652/3.0=5...(13) Peak 4839 from cnoeabs.peaks (4.25, 1.98, 29.77 ppm; 2.93 A): 1 out of 5 assignments used, quality = 0.99: * HA GLU 142 + HB2 GLU 142 OK 99 100 - 99 - 3.0=94, 4846/1.8=24...(30) HA ARG 141 - HB2 GLU 142 OK 32 81 - 39 - 3.6/7858=14, 4846/1.8=7...(14) HB THR 92 - HB2 GLU 142 OK 15 98 - 15 - 2.1/10097=3, 4846/1.8=3...(5) HA2 GLY 50 - HB2 GLU 142 lone 2 68 - 3 - HA ALA 135 - HB2 GLU 142 lone 1 72 - 1 - Peak 4840 from cnoeabs.peaks (1.98, 1.98, 29.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 142 + HB2 GLU 142 OK 100 100 - 100 Peak 4841 from cnoeabs.peaks (2.10, 1.98, 29.77 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 142 + HB2 GLU 142 OK 100 100 - 100 - 1.8=100 HB2 GLU 131 - HB2 GLU 142 OK 34 85 - 40 - 2.9/4843=4, 4855/3.0=4...(16) HG2 PRO 33 - HB2 GLU 142 OK 12 100 - 12 - 4855/3.0=1, 4834/3.0=1 HG3 PRO 33 - HB2 GLU 142 OK 11 92 - 12 - 4855/3.0=1, 4834/3.0=1 HB3 LYS 36 - HB2 GLU 142 lone 6 96 - 6 - HB3 GLN 25 - HB2 GLU 142 lone 5 100 - 5 - HG2 PRO 118 - HB2 GLU 142 lone 2 85 - 2 - HB VAL 53 - HB2 GLU 142 lone 1 100 - 1 - Peak 4842 from cnoeabs.peaks (2.32, 1.98, 29.77 ppm; 2.90 A): 1 out of 3 assignments used, quality = 0.98: * HG2 GLU 142 + HB2 GLU 142 OK 98 100 - 98 - 3.0=91, 4849/1.8=26...(24) HG3 GLU 120 - HB2 GLU 142 OK 33 94 - 35 - 4849/1.8=8, 4835/3.0=5...(12) HB3 GLN 47 - HB2 GLU 142 lone 6 77 - 7 - 4849/1.8=2, 4835/3.0=1 Peak 4843 from cnoeabs.peaks (2.27, 1.98, 29.77 ppm; 2.77 A): 2 out of 8 assignments used, quality = 0.97: * HG3 GLU 142 + HB2 GLU 142 OK 95 100 - 95 - 3.0=79, 1.8/4842=22...(22) HG2 GLU 131 + HB2 GLU 142 OK 49 100 - 49 - 4861=8, 4850/1.8=8...(22) HG3 PRO 129 - HB2 GLU 142 OK 19 81 - 23 - 4850/1.8=3, 2.3/4841=3...(7) HG3 GLU 75 - HB2 GLU 142 OK 19 62 - 30 - 1.8/2227=6, 3.0/2212=4...(10) HB3 MET 113 - HB2 GLU 142 OK 18 100 - 18 - 4850/1.8=2, 3704=2...(7) HG2 GLU 90 - HB2 GLU 142 lone 3 100 - 3 - HG2 GLN 62 - HB2 GLU 142 lone 2 68 - 3 - HG3 GLU 81 - HB2 GLU 142 lone 1 72 - 2 - Peak 4844 from cnoeabs.peaks (8.27, 1.98, 29.77 ppm; 4.74 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 143 + HB2 GLU 142 OK 100 100 - 100 - 4.7=100 H ASP 32 - HB2 GLU 142 OK 38 92 - 41 - 4851/1.8=8, 3.0/10378=7...(10) H GLN 25 - HB2 GLU 142 OK 19 98 - 19 - 4851/1.8=5, 4837/3.0=3...(8) H ALA 105 - HB2 GLU 142 poor 10 68 - 14 - 3.7/9200=4, 3.6/10197=3...(5) H LEU 39 - HB2 GLU 142 lone 8 100 - 8 - 4851/1.8=2, 4837/3.0=1 Peak 4845 from cnoeabs.peaks (8.19, 2.10, 29.77 ppm; 3.22 A): 3 out of 3 assignments used, quality = 0.96: * H GLU 142 + HB3 GLU 142 OK 90 100 - 90 - 4.0=51, 7858/1.8=28...(16) H ARG 141 + HB3 GLU 142 OK 37 89 - 42 - 4838/1.8=8, 4.6/7859=7...(13) H GLU 131 + HB3 GLU 142 OK 35 92 - 38 - 4838/1.8=7, 7652/3.0=5...(15) Peak 4846 from cnoeabs.peaks (4.25, 2.10, 29.77 ppm; 2.85 A): 1 out of 5 assignments used, quality = 0.97: * HA GLU 142 + HB3 GLU 142 OK 97 100 - 97 - 3.0=86, 4833/1.8=23...(30) HA ARG 141 - HB3 GLU 142 OK 28 81 - 34 - 3.6/4845=9, 4839/1.8=7...(13) HB THR 92 - HB3 GLU 142 OK 14 98 - 14 - 4839/1.8=3, ~10097=2...(5) HA2 GLY 50 - HB3 GLU 142 lone 2 68 - 3 - HA ALA 135 - HB3 GLU 142 lone 1 72 - 1 - Peak 4847 from cnoeabs.peaks (1.98, 2.10, 29.77 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 142 + HB3 GLU 142 OK 100 100 - 100 - 1.8=100 HB3 GLU 75 - HB3 GLU 142 OK 23 92 - 25 - 4854/3.0=3, 4833/3.0=3...(12) HB3 ARG 124 - HB3 GLU 142 lone 8 85 - 10 - ~10379=1, 4833/3.0=1 QE MET 113 - HB3 GLU 142 lone 6 92 - 6 - HB2 GLN 111 - HB3 GLU 142 lone 5 72 - 6 - 2.9/10380=1 HB VAL 63 - HB3 GLU 142 lone 3 96 - 3 - QE MET 59 - HB3 GLU 142 lone 2 98 - 2 - Peak 4848 from cnoeabs.peaks (2.10, 2.10, 29.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 142 + HB3 GLU 142 OK 100 100 - 100 Peak 4849 from cnoeabs.peaks (2.32, 2.10, 29.77 ppm; 2.75 A): 1 out of 3 assignments used, quality = 0.95: * HG2 GLU 142 + HB3 GLU 142 OK 95 100 - 95 - 3.0=77, 4842/1.8=22...(24) HG3 GLU 120 - HB3 GLU 142 OK 30 94 - 32 - 4842/1.8=7, 4835/3.0=4...(12) HB3 GLN 47 - HB3 GLU 142 lone 5 77 - 6 - 4842/1.8=2, 4835/3.0=1 Peak 4850 from cnoeabs.peaks (2.27, 2.10, 29.77 ppm; 2.57 A): 2 out of 8 assignments used, quality = 0.93: * HG3 GLU 142 + HB3 GLU 142 OK 89 100 - 89 - 3.0=63, 1.8/4849=21...(22) HG2 GLU 131 + HB3 GLU 142 OK 40 100 - 41 - 4843/1.8=7, 4862=6...(16) HG3 PRO 129 - HB3 GLU 142 OK 16 81 - 20 - 4843/1.8=3, 4836/3.0=2...(7) HG3 GLU 75 - HB3 GLU 142 OK 13 62 - 21 - 3.0/4847=4, ~2227=3...(8) HB3 MET 113 - HB3 GLU 142 OK 12 100 - 12 - 4843/1.8=2, 4857/3.0=1...(4) HG2 GLU 90 - HB3 GLU 142 lone 3 100 - 2 - HG2 GLN 62 - HB3 GLU 142 lone 2 68 - 3 - HG3 GLU 81 - HB3 GLU 142 lone 1 72 - 1 - Peak 4851 from cnoeabs.peaks (8.27, 2.10, 29.77 ppm; 4.38 A): 1 out of 5 assignments used, quality = 0.97: * H GLY 143 + HB3 GLU 142 OK 97 100 - 97 - 4.7=83, 7865/3.0=31...(11) H ASP 32 - HB3 GLU 142 OK 31 92 - 34 - 3.0/10380=8, 4844/1.8=7...(10) H GLN 25 - HB3 GLU 142 OK 19 98 - 19 - 4844/1.8=4, 4837/3.0=3...(7) H LEU 39 - HB3 GLU 142 lone 8 100 - 8 - 4844/1.8=2, 4837/3.0=1 H ALA 105 - HB3 GLU 142 lone 5 68 - 7 - 4837/3.0=2, 4844/1.8=2 Peak 4852 from cnoeabs.peaks (8.19, 2.32, 36.46 ppm; 4.05 A): 3 out of 6 assignments used, quality = 0.99: * H GLU 142 + HG2 GLU 142 OK 96 100 - 96 - 5.0=53, 2.9/4835=36...(17) H ARG 141 + HG2 GLU 142 OK 51 89 - 58 - 4.6/7860=18, 4838/3.0=9...(13) H GLU 131 + HG2 GLU 142 OK 46 92 - 51 - 7652/1.8=9, 4845/3.0=8...(13) H GLU 142 - HG3 GLU 120 OK 15 40 - 37 - 7860=10, 2.9/4835=9...(7) H ARG 141 - HG3 GLU 120 lone 3 31 - 9 - 4.6/7860=4, 4838/4842=1...(4) H GLU 131 - HG3 GLU 120 lone 2 32 - 5 - Peak 4853 from cnoeabs.peaks (4.25, 2.32, 36.46 ppm; 3.36 A): 2 out of 10 assignments used, quality = 0.96: * HA GLU 142 + HG2 GLU 142 OK 94 100 - 94 - 4.0=58, 3.0/4849=23...(20) HA ARG 141 + HG2 GLU 142 OK 33 81 - 40 - 3.6/7860=16, 4839/3.0=6...(9) HA GLU 142 - HG3 GLU 120 OK 16 40 - 40 - 4835=11, 3.0/4842=7...(9) HB THR 92 - HG2 GLU 142 OK 14 98 - 14 - 4839/3.0=3, 4846/3.0=3...(5) HA ALA 135 - HG2 GLU 142 lone 2 72 - 3 - HA ARG 141 - HG3 GLU 120 lone 2 27 - 7 - 3.6/7860=4 HA2 GLY 50 - HG2 GLU 142 lone 2 68 - 2 - HB THR 92 - HG3 GLU 120 lone 1 37 - 2 - HA ALA 135 - HG3 GLU 120 lone 0 23 - 2 - HA2 GLY 50 - HG3 GLU 120 lone 0 21 - 1 - Peak 4854 from cnoeabs.peaks (1.98, 2.32, 36.46 ppm; 3.07 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLU 142 + HG2 GLU 142 OK 100 100 - 100 - 3.0=100 HB3 GLU 75 - HG2 GLU 142 OK 30 92 - 33 - 4861/1.8=6, 4847/3.0=5...(15) HB2 GLU 142 - HG3 GLU 120 OK 17 40 - 43 - 4842=12, 1.8/4849=9...(13) HB3 GLU 75 - HG3 GLU 120 OK 17 32 - 52 - 2222=9, 1.8/2214=7...(21) QE MET 113 - HG2 GLU 142 OK 11 92 - 12 - 4861/1.8=2, ~9567=1, 4847/3.0=1 HB3 ARG 124 - HG2 GLU 142 OK 10 85 - 12 - 4847/3.0=2, 4861/1.8=2...(4) HB2 GLN 111 - HG2 GLU 142 lone 7 72 - 10 - 4861/1.8=1, 4847/3.0=1...(4) HB VAL 63 - HG2 GLU 142 lone 4 96 - 4 - QE MET 59 - HG2 GLU 142 lone 2 98 - 2 - HB3 ARG 124 - HG3 GLU 120 lone 1 29 - 5 - 3.0/9775=1 QE MET 113 - HG3 GLU 120 lone 1 32 - 2 - HB VAL 63 - HG3 GLU 120 lone 0 35 - 1 - QE MET 59 - HG3 GLU 120 lone 0 37 - 1 - HB2 GLN 111 - HG3 GLU 120 lone 0 23 - 1 - Peak 4855 from cnoeabs.peaks (2.10, 2.32, 36.46 ppm; 2.68 A): 2 out of 16 assignments used, quality = 0.96: * HB3 GLU 142 + HG2 GLU 142 OK 93 100 - 93 - 3.0=72, 1.8/4842=21...(24) HB2 GLU 131 + HG2 GLU 142 OK 39 85 - 46 - 4444/1.8=6, 2.9/4863=5...(23) HB3 GLU 142 - HG3 GLU 120 OK 14 40 - 35 - 4849=11, 1.8/4842=7...(11) HG2 PRO 33 - HG2 GLU 142 OK 12 100 - 12 - 4841/3.0=2, 4862/1.8=2 HG3 PRO 33 - HG2 GLU 142 OK 11 92 - 11 - 4841/3.0=1, 4862/1.8=1 HB3 GLN 25 - HG2 GLU 142 lone 5 100 - 4 - HB3 LYS 36 - HG2 GLU 142 lone 4 96 - 5 - HG2 PRO 118 - HG2 GLU 142 lone 2 85 - 2 - HB VAL 53 - HG2 GLU 142 lone 1 100 - 1 - HB2 GLU 131 - HG3 GLU 120 lone 1 29 - 4 - HB3 LYS 36 - HG3 GLU 120 lone 1 35 - 2 - HB VAL 53 - HG3 GLU 120 lone 0 40 - 1 - HG2 PRO 33 - HG3 GLU 120 lone 0 39 - 1 - HG3 PRO 33 - HG3 GLU 120 lone 0 32 - 1 - HB3 GLN 25 - HG3 GLU 120 lone 0 40 - 0 - HG2 PRO 118 - HG3 GLU 120 lone 0 29 - 1 - Peak 4856 from cnoeabs.peaks (2.32, 2.32, 36.46 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 142 + HG2 GLU 142 OK 100 100 - 100 HG3 GLU 120 - HG3 GLU 120 OK 34 34 - 100 Peak 4857 from cnoeabs.peaks (2.27, 2.32, 36.46 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 142 + HG2 GLU 142 OK 100 100 - 100 - 1.8=100 HG2 GLU 131 - HG2 GLU 142 OK 44 100 - 44 - 4863=11, 4850/3.0=4...(20) HG3 PRO 129 - HG2 GLU 142 OK 14 81 - 17 - 2.3/4855=2, 4850/3.0=2...(4) HG3 GLU 75 - HG2 GLU 142 OK 11 62 - 18 - 3.0/4854=3, 4843/3.0=2...(7) HB3 MET 113 - HG2 GLU 142 OK 11 100 - 11 - 4843/3.0=2, 4850/3.0=1 HG3 GLU 142 - HG3 GLU 120 poor 9 40 - 23 - 4863=6, 3.0/4849=4...(7) HG3 GLU 75 - HG3 GLU 120 poor 5 19 - 28 - 1.8/2229=5, 3.0/2214=3...(12) HG3 PRO 129 - HG3 GLU 120 poor 3 27 - 11 - 4401/3.0=2, ~4393=2...(6) HG2 GLU 90 - HG2 GLU 142 lone 2 100 - 2 - HG3 GLU 81 - HG3 GLU 120 lone 2 23 - 9 - 1.8/2460=2, 3.0/2446=1 HG2 GLN 62 - HG2 GLU 142 lone 2 68 - 2 - HG2 GLU 131 - HG3 GLU 120 lone 2 40 - 4 - HG3 GLU 81 - HG2 GLU 142 lone 1 72 - 1 - HB3 MET 113 - HG3 GLU 120 lone 1 39 - 1 - HG2 GLU 90 - HG3 GLU 120 lone 0 40 - 1 - HG2 GLN 62 - HG3 GLU 120 lone 0 21 - 1 - Peak 4858 from cnoeabs.peaks (8.27, 2.32, 36.46 ppm; 6.80 A): 2 out of 10 assignments used, quality = 1.00: * H GLY 143 + HG2 GLU 142 OK 100 100 - 100 - 4.9=100 H ASP 32 + HG2 GLU 142 OK 52 92 - 57 - 4844/3.0=10, ~10380=10...(11) H GLN 25 - HG2 GLU 142 OK 27 98 - 27 - 4851/3.0=6, 4844/3.0=5...(8) H GLY 143 - HG3 GLU 120 OK 20 40 - 50 - 4.7/4842=12, 7868=12...(6) H LEU 39 - HG2 GLU 142 OK 13 100 - 13 - 4851/3.0=3, 4844/3.0=2...(5) H ALA 105 - HG2 GLU 142 poor 9 68 - 13 - 4844/3.0=3, 4837/4.0=3...(5) H LEU 39 - HG3 GLU 120 poor 6 39 - 15 - 6258/3.0=5, 6257/3.8=5...(4) H ASP 32 - HG3 GLU 120 lone 2 32 - 7 - 4844/4842=1, 4851/4849=1 H GLN 25 - HG3 GLU 120 lone 2 37 - 5 - H ALA 105 - HG3 GLU 120 lone 1 21 - 4 - Peak 4859 from cnoeabs.peaks (8.19, 2.27, 36.46 ppm; 3.45 A): 3 out of 6 assignments used, quality = 0.97: * H GLU 142 + HG3 GLU 142 OK 90 100 - 90 - 5.0=33, 7860/1.8=28...(17) H GLU 131 + HG2 GLU 131 OK 46 55 - 83 - 5.0=34, 4461/1.8=19...(18) H GLU 131 + HG3 GLU 142 OK 46 92 - 50 - 7652=10, 3.0/4435=7...(16) H ARG 141 - HG3 GLU 142 OK 39 89 - 44 - 4.6/7861=8, 4838/3.0=7...(13) H GLU 142 - HG2 GLU 131 OK 37 66 - 56 - 7861=14, 4461/1.8=10...(13) H ARG 141 - HG2 GLU 131 lone 5 53 - 10 - 4.6/7861=5 Peak 4860 from cnoeabs.peaks (4.25, 2.27, 36.46 ppm; 3.52 A): 1 out of 10 assignments used, quality = 0.96: * HA GLU 142 + HG3 GLU 142 OK 96 100 - 96 - 4.0=67, 4835/1.8=39...(15) HA GLU 142 - HG2 GLU 131 OK 38 66 - 58 - 4836=12, 2.9/7861=8...(18) HA ARG 141 - HG3 GLU 142 OK 32 81 - 40 - 3.6/7861=12, 4853/1.8=8...(9) HB THR 92 - HG3 GLU 142 OK 15 98 - 15 - 4839/3.0=3, 4853/1.8=3...(7) HA ARG 141 - HG2 GLU 131 poor 5 47 - 11 - 3.6/7861=7 HA ALA 135 - HG2 GLU 131 poor 5 41 - 11 - ~10320=7, ~9556=2, ~9635=2 HA2 GLY 50 - HG3 GLU 142 lone 2 68 - 3 - HB THR 92 - HG2 GLU 131 lone 2 62 - 2 - HA ALA 135 - HG3 GLU 142 lone 1 72 - 2 - HA2 GLY 50 - HG2 GLU 131 lone 0 37 - 1 - Peak 4861 from cnoeabs.peaks (1.98, 2.27, 36.46 ppm; 2.52 A): 3 out of 14 assignments used, quality = 0.92: * HB2 GLU 142 + HG3 GLU 142 OK 87 100 - 87 - 3.0=59, 4842/1.8=18...(23) HB2 GLU 142 + HG2 GLU 131 OK 28 66 - 43 - 4843=9, 1.8/4850=7...(14) HB3 GLU 75 + HG3 GLU 142 OK 19 92 - 21 - 4854/1.8=4, 4847/3.0=3...(8) QE MET 113 - HG3 GLU 142 lone 9 92 - 9 - 3725=2, 4854/1.8=1 HB3 ARG 124 - HG3 GLU 142 lone 6 85 - 8 - 4854/1.8=1, 4847/3.0=1 HB2 GLN 111 - HG3 GLU 142 lone 4 72 - 6 - 4854/1.8=1 HB VAL 63 - HG2 GLU 131 lone 3 60 - 5 - ~10937=1, ~10291=1 QE MET 113 - HG2 GLU 131 lone 3 55 - 5 - 3725=1 HB VAL 63 - HG3 GLU 142 lone 2 96 - 2 - HB3 GLU 75 - HG2 GLU 131 lone 2 55 - 3 - QE MET 59 - HG3 GLU 142 lone 1 98 - 1 - HB3 ARG 124 - HG2 GLU 131 lone 1 50 - 1 - QE MET 59 - HG2 GLU 131 lone 0 62 - 1 - HB2 GLN 111 - HG2 GLU 131 lone 0 41 - 1 - Peak 4862 from cnoeabs.peaks (2.10, 2.27, 36.46 ppm; 2.50 A): 3 out of 16 assignments used, quality = 0.94: * HB3 GLU 142 + HG3 GLU 142 OK 86 100 - 86 - 3.0=58, 4849/1.8=20...(22) HB2 GLU 131 + HG2 GLU 131 OK 38 50 - 77 - 2.9=63, 3.0/4435=6...(15) HB2 GLU 131 + HG3 GLU 142 OK 36 85 - 42 - 4444=8, 4855/1.8=6...(14) HB3 GLU 142 - HG2 GLU 131 OK 27 66 - 42 - 4850=11, 1.8/4843=6...(14) HG2 PRO 33 - HG3 GLU 142 OK 10 100 - 10 - 4855/1.8=2, 4841/3.0=1 HG2 PRO 33 - HG2 GLU 131 OK 10 65 - 16 - 468/1.8=2, ~476=1...(4) HG3 PRO 33 - HG3 GLU 142 poor 10 92 - 10 - 4855/1.8=2, 4841/3.0=1 HG3 PRO 33 - HG2 GLU 131 poor 8 55 - 15 - 476/1.8=2, ~468=1, 4449/2.9=1 HB3 LYS 36 - HG3 GLU 142 lone 4 96 - 4 - HB3 GLN 25 - HG3 GLU 142 lone 4 100 - 4 - HB VAL 53 - HG2 GLU 131 lone 2 66 - 3 - HG2 PRO 118 - HG3 GLU 142 lone 2 85 - 2 - HB VAL 53 - HG3 GLU 142 lone 1 100 - 1 - HB3 GLN 25 - HG2 GLU 131 lone 1 66 - 2 - HB3 LYS 36 - HG2 GLU 131 lone 1 60 - 2 - HG2 PRO 118 - HG2 GLU 131 lone 1 50 - 2 - Peak 4863 from cnoeabs.peaks (2.32, 2.27, 36.46 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 142 + HG3 GLU 142 OK 100 100 - 100 - 1.8=100 HG2 GLU 142 - HG2 GLU 131 OK 29 66 - 44 - 4857=11, 3.0/4850=4...(20) HG3 GLU 120 - HG3 GLU 142 OK 19 94 - 21 - 4849/3.0=4, 4842/3.0=4...(8) HB3 GLN 47 - HG3 GLU 142 lone 4 77 - 5 - 4842/3.0=1, 4849/3.0=1 HG3 GLU 120 - HG2 GLU 131 lone 2 58 - 3 - HB3 GLN 47 - HG2 GLU 131 lone 0 44 - 1 - Peak 4864 from cnoeabs.peaks (2.27, 2.27, 36.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 142 + HG3 GLU 142 OK 100 100 - 100 HG2 GLU 131 + HG2 GLU 131 OK 66 66 - 100 Peak 4865 from cnoeabs.peaks (8.27, 2.27, 36.46 ppm; 6.80 A): 2 out of 10 assignments used, quality = 1.00: * H GLY 143 + HG3 GLU 142 OK 100 100 - 100 - 4.9=100 H ASP 32 + HG3 GLU 142 OK 52 92 - 57 - 4844/3.0=10, ~10380=10...(10) H GLY 143 - HG2 GLU 131 OK 41 66 - 62 - 4.6/7861=14, 3.6/4836=12...(10) H GLN 25 - HG3 GLU 142 OK 27 98 - 27 - 4851/3.0=6, 4844/3.0=5...(7) H LEU 39 - HG3 GLU 142 OK 13 100 - 13 - 4851/3.0=3, 4858/1.8=3...(5) H ALA 105 - HG3 GLU 142 poor 9 68 - 13 - 4844/3.0=3, 4837/4.0=3...(5) H ASP 32 - HG2 GLU 131 poor 6 55 - 12 - 8088/2.9=2, ~9772=1...(5) H GLN 25 - HG2 GLU 131 lone 5 62 - 8 - 10923/2.9=1 H LEU 39 - HG2 GLU 131 lone 3 65 - 4 - H ALA 105 - HG2 GLU 131 lone 2 37 - 6 - Peak 4866 from cnoeabs.peaks (8.27, 3.93, 45.14 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 143 + HA2 GLY 143 OK 100 100 - 100 - 3.0=100 H LEU 39 - HA2 GLY 143 lone 6 100 - 6 - 4870/1.8=2, ~816=1 H GLN 25 - HA2 GLY 143 lone 4 98 - 4 - H ASP 32 - HA2 GLY 143 lone 2 92 - 2 - H ALA 105 - HA2 GLY 143 lone 2 68 - 2 - Peak 4867 from cnoeabs.peaks (3.93, 3.93, 45.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 143 + HA2 GLY 143 OK 100 100 - 100 Peak 4868 from cnoeabs.peaks (3.97, 3.93, 45.14 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 143 + HA2 GLY 143 OK 100 100 - 100 - 1.8=100 HA GLU 75 - HA2 GLY 143 lone 5 98 - 5 - 7871/3.0=1 HB3 SER 103 - HA2 GLY 143 lone 1 85 - 1 - HA PHE 106 - HA2 GLY 143 lone 1 68 - 1 - HB3 SER 127 - HA2 GLY 143 lone 0 62 - 1 - Peak 4869 from cnoeabs.peaks (8.03, 3.93, 45.14 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 144 + HA2 GLY 143 OK 100 100 - 100 - 3.5=100 H ILE 58 - HA2 GLY 143 OK 19 99 - 19 - 4873/1.8=5, 7875=5...(4) H GLN 133 - HA2 GLY 143 lone 1 72 - 2 - Peak 4870 from cnoeabs.peaks (8.27, 3.97, 45.14 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 143 + HA3 GLY 143 OK 100 100 - 100 - 3.0=100 H LEU 39 - HA3 GLY 143 lone 7 100 - 6 - 4866/1.8=2, ~816=1...(4) H GLN 25 - HA3 GLY 143 lone 3 98 - 3 - 4866/1.8=1 H ALA 105 - HA3 GLY 143 lone 3 68 - 4 - H ASP 32 - HA3 GLY 143 lone 2 92 - 2 - Peak 4871 from cnoeabs.peaks (3.93, 3.97, 45.14 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HA2 GLY 143 + HA3 GLY 143 OK 100 100 - 100 - 1.8=100 HD3 PRO 129 - HA3 GLY 143 OK 30 89 - 34 - 4364/1.8=5, 7870/3.0=4...(20) HD2 PRO 129 - HA3 GLY 143 OK 29 81 - 36 - ~4364=4, 4357/1.8=3...(20) HA LYS 86 - HA3 GLY 143 lone 4 100 - 4 - HA LEU 29 - HA3 GLY 143 lone 1 92 - 1 - Peak 4872 from cnoeabs.peaks (3.97, 3.97, 45.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 143 + HA3 GLY 143 OK 100 100 - 100 Peak 4873 from cnoeabs.peaks (8.03, 3.97, 45.14 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 144 + HA3 GLY 143 OK 100 100 - 100 - 3.5=100 H ILE 58 - HA3 GLY 143 OK 20 99 - 20 - 4869/1.8=6, 7876=6...(5) H GLN 133 - HA3 GLY 143 lone 2 72 - 2 - Peak 4874 from cnoeabs.peaks (8.03, 4.36, 55.57 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.85: * H ARG 144 + HA ARG 144 OK 80 100 - 80 - 3.0=61, 7886/3.6=10...(14) H ILE 58 + HA ARG 144 OK 25 99 - 25 - 7877=6, 4883/3.0=4...(6) H GLN 133 - HA ARG 144 lone 1 72 - 1 - Peak 4875 from cnoeabs.peaks (4.36, 4.36, 55.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 144 + HA ARG 144 OK 100 100 - 100 Peak 4876 from cnoeabs.peaks (1.87, 4.36, 55.57 ppm; 2.68 A): 2 out of 8 assignments used, quality = 0.94: * HB2 ARG 144 + HA ARG 144 OK 92 100 - 92 - 3.0=72, 1.8/4877=13...(30) HB2 LYS 48 + HA ARG 144 OK 27 100 - 27 - 4894/3.0=4, 4912/3.9=2...(8) HB3 LYS 48 - HA ARG 144 OK 27 100 - 27 - 4894/3.0=4, 4912/3.9=2...(8) HB2 LYS 36 - HA ARG 144 OK 26 100 - 26 - 4894/3.0=3, 3.6/4877=2...(11) HB3 LYS 85 - HA ARG 144 lone 7 85 - 8 - 4894/3.0=1 HB3 LYS 76 - HA ARG 144 lone 2 68 - 3 - HG LEU 69 - HA ARG 144 lone 2 77 - 2 - HB3 GLU 28 - HA ARG 144 lone 1 62 - 1 - Peak 4877 from cnoeabs.peaks (1.73, 4.36, 55.57 ppm; 2.96 A): 1 out of 9 assignments used, quality = 0.99: * HB3 ARG 144 + HA ARG 144 OK 99 100 - 99 - 3.0=97, 1.8/4876=19...(30) HD2 LYS 36 - HA ARG 144 OK 34 100 - 35 - 4886/3.0=4, 10516=3...(15) HB3 GLU 81 - HA ARG 144 OK 23 100 - 24 - 3.0/8768=3, 3.0/8773=3...(9) HB2 ARG 49 - HA ARG 144 OK 22 81 - 27 - 4886/3.0=3, 4913/3.9=2...(10) HB2 GLU 81 - HA ARG 144 OK 21 89 - 23 - 3.0/8768=3, 3.0/8773=3...(9) HB3 ARG 109 - HA ARG 144 lone 7 92 - 7 - 7889/3.6=3 HG LEU 66 - HA ARG 144 lone 5 96 - 5 - HG3 ARG 89 - HA ARG 144 lone 4 98 - 4 - HG3 ARG 140 - HA ARG 144 lone 4 85 - 5 - Peak 4878 from cnoeabs.peaks (1.60, 4.36, 55.57 ppm; 2.69 A): 2 out of 13 assignments used, quality = 0.93: * HG2 ARG 144 + HA ARG 144 OK 85 100 - 85 - 3.9=32, 1.8/4911=18...(42) HG3 ARG 144 + HA ARG 144 OK 55 68 - 82 - 3.9=32, 1.8/4902=16...(42) HG3 LYS 36 - HA ARG 144 OK 24 89 - 27 - 2.9/4877=3, 3.0/4876=3...(9) HG3 LYS 48 - HA ARG 144 OK 22 100 - 22 - 2.9/4876=3, 2.9/4876=3...(6) HG2 ARG 141 - HA ARG 144 OK 16 99 - 17 - 4902=4, 4896/3.0=2...(5) HG3 ARG 49 - HA ARG 144 OK 11 77 - 15 - 3.0/4877=2, 4887/3.0=2 HB2 LEU 97 - HA ARG 144 lone 4 100 - 4 - 3.1/11427=1 HB2 LEU 87 - HA ARG 144 lone 3 72 - 3 - HG LEU 108 - HA ARG 144 lone 2 98 - 2 - HB3 LEU 64 - HA ARG 144 lone 2 68 - 3 - 4.4/6628=1 HB2 LEU 79 - HA ARG 144 lone 2 94 - 2 - HD2 LYS 61 - HA ARG 144 lone 1 89 - 1 - HD3 LYS 61 - HA ARG 144 lone 1 89 - 1 - Peak 4879 from cnoeabs.peaks (1.62, 4.36, 55.57 ppm; 2.79 A): 2 out of 11 assignments used, quality = 0.95: * HG3 ARG 144 + HA ARG 144 OK 87 100 - 87 - 3.9=36, 1.8/4902=17...(42) HG2 ARG 144 + HA ARG 144 OK 58 68 - 87 - 3.9=36, 1.8/4911=19...(42) HG3 ARG 49 - HA ARG 144 OK 19 100 - 19 - 1276/3.0=3, 4888/3.0=2...(6) HG3 LYS 48 - HA ARG 144 OK 13 62 - 20 - 2.9/4876=3, 2.9/4876=3...(7) HG2 ARG 141 - HA ARG 144 OK 11 85 - 12 - 4902=3, 4897/3.0=2...(6) HB2 LEU 87 - HA ARG 144 lone 4 100 - 4 - HB3 LEU 64 - HA ARG 144 lone 3 100 - 3 - 4.4/6628=1 HB2 LEU 97 - HA ARG 144 lone 3 81 - 4 - 3.1/11427=1 HG LEU 108 - HA ARG 144 lone 2 89 - 2 - HG3 LYS 34 - HA ARG 144 lone 1 77 - 1 - HD2 LYS 24 - HA ARG 144 lone 1 77 - 1 - Peak 4880 from cnoeabs.peaks (3.18, 4.36, 55.57 ppm; 3.69 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 144 + HA ARG 144 OK 96 100 - 96 - 5.2=37, 3.0/4911=22...(43) HD3 ARG 144 + HA ARG 144 OK 94 98 - 96 - 5.2=37, 3.0/4911=22...(43) HD2 ARG 55 + HA ARG 144 OK 47 100 - 48 - 4889/3.0=5, 4898/3.0=5...(25) HD3 ARG 55 - HA ARG 144 OK 41 100 - 41 - 4889/3.0=5, 4898/3.0=5...(20) HA VAL 73 - HA ARG 144 OK 17 96 - 17 - 3.0/4882=3, 4889/3.0=2...(7) Peak 4881 from cnoeabs.peaks (3.19, 4.36, 55.57 ppm; 3.69 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 144 + HA ARG 144 OK 96 100 - 96 - 5.2=37, 3.0/4911=22...(43) HD2 ARG 144 + HA ARG 144 OK 94 98 - 96 - 5.2=37, 3.0/4911=22...(43) HD2 ARG 55 - HA ARG 144 OK 43 92 - 47 - 4889/3.0=5, 4898/3.0=5...(25) HD3 ARG 55 - HA ARG 144 OK 41 100 - 41 - 4889/3.0=4, 4898/3.0=4...(21) HD2 ARG 141 - HA ARG 144 OK 19 72 - 26 - 3.0/4902=4, 4899/3.0=2...(13) HA VAL 73 - HA ARG 144 OK 17 100 - 17 - 3.0/4882=3, 2157/3.6=2...(7) Peak 4882 from cnoeabs.peaks (8.01, 4.36, 55.57 ppm; 2.50 A): 2 out of 5 assignments used, quality = 0.72: * H ARG 145 + HA ARG 144 OK 65 100 - 65 - 7887=39, 7886/3.0=13...(9) H THR 51 + HA ARG 144 OK 20 96 - 20 - 8221/3.9=3, 4891/3.0=3...(8) H VAL 73 - HA ARG 144 lone 8 81 - 10 - 4891/3.0=2, 4900/3.0=2 H ARG 140 - HA ARG 144 lone 3 68 - 5 - H ALA 104 - HA ARG 144 lone 3 89 - 3 - Peak 4883 from cnoeabs.peaks (8.03, 1.87, 30.76 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.94: * H ARG 144 + HB2 ARG 144 OK 90 100 - 90 - 4.0=52, 4874/3.0=24...(20) H ILE 58 + HB2 ARG 144 OK 41 99 - 42 - 4892/1.8=11, 7878=9...(10) H GLN 133 - HB2 ARG 144 lone 2 72 - 2 - Peak 4884 from cnoeabs.peaks (4.36, 1.87, 30.76 ppm; 3.02 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB2 ARG 144 OK 29 100 - 29 - 4893/1.8=6, 4911/3.0=4...(14) HA3 GLY 77 - HB2 ARG 144 OK 16 94 - 17 - 4893/1.8=3, 4911/3.0=2...(8) HA ASP 65 - HB2 ARG 144 OK 14 94 - 15 - 4893/1.8=4, 4911/3.0=2 HA ASN 96 - HB2 ARG 144 lone 2 62 - 4 - Peak 4885 from cnoeabs.peaks (1.87, 1.87, 30.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 144 + HB2 ARG 144 OK 100 100 - 100 Peak 4886 from cnoeabs.peaks (1.73, 1.87, 30.76 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 1.8=100 HD2 LYS 36 - HB2 ARG 144 OK 35 100 - 35 - 707=4, 1.8/718=4...(14) HB2 ARG 49 - HB2 ARG 144 OK 21 81 - 25 - 4913/3.0=3, 3.0/4888=2...(9) HB3 GLU 81 - HB2 ARG 144 OK 20 100 - 20 - 707=2, 4877/3.0=2...(4) HB2 GLU 81 - HB2 ARG 144 OK 18 89 - 20 - 707=2, 1.8/707=2...(4) HB3 ARG 109 - HB2 ARG 144 lone 5 92 - 6 - 7889/4.3=1 HG3 ARG 140 - HB2 ARG 144 lone 4 85 - 5 - HG3 ARG 89 - HB2 ARG 144 lone 4 98 - 4 - HG LEU 66 - HB2 ARG 144 lone 3 96 - 3 - Peak 4887 from cnoeabs.peaks (1.60, 1.87, 30.76 ppm; 2.72 A): 2 out of 13 assignments used, quality = 0.99: * HG2 ARG 144 + HB2 ARG 144 OK 97 100 - 97 - 3.0=78, 1.8/4912=16...(55) HG3 ARG 144 + HB2 ARG 144 OK 65 68 - 96 - 3.0=78, 1.8/4903=11...(55) HG3 LYS 36 - HB2 ARG 144 OK 40 89 - 45 - 4896/1.8=4, 1.8/685=4...(19) HG3 LYS 48 - HB2 ARG 144 OK 33 100 - 33 - 1185=5, 4897/1.8=4...(10) HG2 ARG 141 - HB2 ARG 144 OK 27 99 - 28 - 4903=4, 4896/1.8=3...(11) HG3 ARG 49 - HB2 ARG 144 OK 19 77 - 25 - 1276/1.8=3, 3.0/4886=2...(9) HB2 LEU 97 - HB2 ARG 144 lone 6 100 - 6 - HB2 LEU 87 - HB2 ARG 144 lone 5 72 - 7 - HG LEU 108 - HB2 ARG 144 lone 5 98 - 5 - HB2 LEU 79 - HB2 ARG 144 lone 3 94 - 3 - HB3 LEU 64 - HB2 ARG 144 lone 3 68 - 4 - HD2 LYS 61 - HB2 ARG 144 lone 1 89 - 1 - HD3 LYS 61 - HB2 ARG 144 lone 1 89 - 1 - Peak 4888 from cnoeabs.peaks (1.62, 1.87, 30.76 ppm; 2.66 A): 2 out of 11 assignments used, quality = 0.99: * HG3 ARG 144 + HB2 ARG 144 OK 96 100 - 96 - 3.0=73, 4913/1.8=18...(55) HG2 ARG 144 + HB2 ARG 144 OK 65 68 - 96 - 3.0=73, 1.8/4912=16...(55) HG3 ARG 49 - HB2 ARG 144 OK 27 100 - 27 - 1276/1.8=4, 3.0/4886=2...(8) HG2 ARG 141 - HB2 ARG 144 OK 19 85 - 22 - 4897/1.8=2, 4903=2...(8) HG3 LYS 48 - HB2 ARG 144 OK 17 62 - 27 - 1.8/1174=3, 4897/1.8=3...(8) HB2 LEU 87 - HB2 ARG 144 lone 8 100 - 8 - 4897/1.8=1 HB3 LEU 64 - HB2 ARG 144 lone 4 100 - 4 - HB2 LEU 97 - HB2 ARG 144 lone 4 81 - 5 - HG LEU 108 - HB2 ARG 144 lone 4 89 - 5 - HG3 LYS 34 - HB2 ARG 144 lone 1 77 - 1 - HD2 LYS 24 - HB2 ARG 144 lone 1 77 - 1 - Peak 4889 from cnoeabs.peaks (3.18, 1.87, 30.76 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 144 + HB2 ARG 144 OK 97 100 - 97 - 4.0=52, 3.0/4912=14...(57) HD3 ARG 144 + HB2 ARG 144 OK 95 98 - 97 - 4.0=52, 3.0/4912=14...(55) HD2 ARG 55 + HB2 ARG 144 OK 50 100 - 50 - 4898/1.8=6, 4921=4...(27) HD3 ARG 55 - HB2 ARG 144 OK 43 100 - 44 - 4898/1.8=5, 4930=4...(22) HA VAL 73 - HB2 ARG 144 OK 16 96 - 16 - 3.0/4891=3, 4898/1.8=2...(8) Peak 4890 from cnoeabs.peaks (3.19, 1.87, 30.76 ppm; 3.18 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 144 + HB2 ARG 144 OK 97 100 - 97 - 4.0=52, 3.0/4912=14...(55) HD2 ARG 144 + HB2 ARG 144 OK 95 98 - 97 - 4.0=52, 3.0/4912=14...(57) HD2 ARG 55 + HB2 ARG 144 OK 46 92 - 50 - 4898/1.8=5, 4921=4...(27) HD3 ARG 55 - HB2 ARG 144 OK 43 100 - 43 - 4898/1.8=5, 4930=4...(22) HD2 ARG 141 - HB2 ARG 144 OK 21 72 - 29 - 3.0/4887=3, 4899/1.8=2...(13) HA VAL 73 - HB2 ARG 144 OK 17 100 - 16 - 3.0/4891=3, 4899/1.8=2...(8) Peak 4891 from cnoeabs.peaks (8.01, 1.87, 30.76 ppm; 3.39 A): 3 out of 5 assignments used, quality = 0.92: * H ARG 145 + HB2 ARG 144 OK 85 100 - 85 - 4.3=49, 7887/3.0=27...(11) H THR 51 + HB2 ARG 144 OK 35 96 - 37 - 8221/3.0=9, 4900/1.8=7...(11) H VAL 73 + HB2 ARG 144 OK 20 81 - 24 - 4900/1.8=4, 4918/3.0=3...(10) H ARG 140 - HB2 ARG 144 poor 10 68 - 14 - 4900/1.8=3, 4918/3.0=2...(8) H ALA 104 - HB2 ARG 144 lone 7 89 - 8 - 4900/1.8=2, 4918/3.0=1 Peak 4892 from cnoeabs.peaks (8.03, 1.73, 30.76 ppm; 3.41 A): 2 out of 3 assignments used, quality = 0.97: * H ARG 144 + HB3 ARG 144 OK 94 100 - 94 - 4.0=60, 4874/3.0=26...(19) H ILE 58 + HB3 ARG 144 OK 45 99 - 46 - 4883/1.8=12, 4874/3.0=8...(11) H GLN 133 - HB3 ARG 144 lone 2 72 - 2 - Peak 4893 from cnoeabs.peaks (4.36, 1.73, 30.76 ppm; 3.27 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB3 ARG 144 OK 34 100 - 35 - 4884/1.8=7, 4911/3.0=5...(15) HA ASP 65 - HB3 ARG 144 OK 21 94 - 22 - 8385=5, 4884/1.8=4...(11) HA3 GLY 77 - HB3 ARG 144 OK 20 94 - 21 - 4884/1.8=4, 1.8/8685=2...(9) HA ASN 96 - HB3 ARG 144 lone 3 62 - 4 - Peak 4894 from cnoeabs.peaks (1.87, 1.73, 30.76 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 1.8=100 HB2 LYS 48 - HB3 ARG 144 OK 37 100 - 37 - 4912/3.0=3, 4876/3.0=3...(13) HB3 LYS 48 - HB3 ARG 144 OK 36 100 - 36 - 4912/3.0=3, 4876/3.0=3...(13) HB2 LYS 36 - HB3 ARG 144 OK 33 100 - 33 - 667=3, 4876/3.0=3...(15) HB3 LYS 85 - HB3 ARG 144 lone 9 85 - 10 - HB3 LYS 76 - HB3 ARG 144 lone 2 68 - 3 - HG LEU 69 - HB3 ARG 144 lone 2 77 - 3 - HB3 GLU 28 - HB3 ARG 144 lone 1 62 - 1 - Peak 4895 from cnoeabs.peaks (1.73, 1.73, 30.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 144 + HB3 ARG 144 OK 100 100 - 100 Peak 4896 from cnoeabs.peaks (1.60, 1.73, 30.76 ppm; 2.61 A): 2 out of 13 assignments used, quality = 0.98: * HG2 ARG 144 + HB3 ARG 144 OK 95 100 - 95 - 3.0=70, 1.8/4913=17...(51) HG3 ARG 144 + HB3 ARG 144 OK 63 68 - 94 - 3.0=70, 1.8/4904=11...(51) HG3 LYS 36 - HB3 ARG 144 OK 37 89 - 42 - 4887/1.8=4, 1.8/689=3...(19) HG3 LYS 48 - HB3 ARG 144 OK 31 100 - 31 - 2.9/4894=4, 2.9/4894=4...(11) HG2 ARG 141 - HB3 ARG 144 OK 26 99 - 27 - 4904=4, 4887/1.8=3...(8) HG3 ARG 49 - HB3 ARG 144 OK 18 77 - 23 - 1276=3, 4887/1.8=2...(6) HB2 LEU 97 - HB3 ARG 144 lone 6 100 - 6 - HB2 LEU 87 - HB3 ARG 144 lone 5 72 - 7 - 3.2/10061=1 HG LEU 108 - HB3 ARG 144 lone 5 98 - 5 - HB3 LEU 64 - HB3 ARG 144 lone 3 68 - 4 - HB2 LEU 79 - HB3 ARG 144 lone 3 94 - 3 - HD2 LYS 61 - HB3 ARG 144 lone 1 89 - 1 - HD3 LYS 61 - HB3 ARG 144 lone 1 89 - 1 - Peak 4897 from cnoeabs.peaks (1.62, 1.73, 30.76 ppm; 2.59 A): 2 out of 11 assignments used, quality = 0.98: * HG3 ARG 144 + HB3 ARG 144 OK 94 100 - 94 - 3.0=68, 4912/1.8=15...(50) HG2 ARG 144 + HB3 ARG 144 OK 63 68 - 94 - 3.0=68, 1.8/4913=17...(50) HG3 ARG 49 - HB3 ARG 144 OK 26 100 - 26 - 1276=4, 4888/1.8=3...(5) HG2 ARG 141 - HB3 ARG 144 OK 18 85 - 21 - 4888/1.8=2, 4904=2...(5) HG3 LYS 48 - HB3 ARG 144 OK 17 62 - 27 - 2.9/4894=4, 2.9/4894=4...(9) HB2 LEU 87 - HB3 ARG 144 lone 7 100 - 7 - 3.2/10061=1 HB3 LEU 64 - HB3 ARG 144 lone 4 100 - 4 - HB2 LEU 97 - HB3 ARG 144 lone 4 81 - 5 - HG LEU 108 - HB3 ARG 144 lone 4 89 - 5 - HG3 LYS 34 - HB3 ARG 144 lone 1 77 - 1 - HD2 LYS 24 - HB3 ARG 144 lone 1 77 - 1 - Peak 4898 from cnoeabs.peaks (3.18, 1.73, 30.76 ppm; 3.39 A): 4 out of 5 assignments used, quality = 1.00: * HD2 ARG 144 + HB3 ARG 144 OK 99 100 - 99 - 4.0=63, 3.0/4913=18...(56) HD3 ARG 144 + HB3 ARG 144 OK 96 98 - 98 - 4.0=63, 3.0/4913=18...(54) HD2 ARG 55 + HB3 ARG 144 OK 55 100 - 55 - 4889/1.8=6, 4922=5...(29) HD3 ARG 55 + HB3 ARG 144 OK 48 100 - 48 - 4889/1.8=6, 4931=4...(24) HA VAL 73 - HB3 ARG 144 OK 17 96 - 17 - 3.0/4900=3, 4889/1.8=2...(9) Peak 4899 from cnoeabs.peaks (3.19, 1.73, 30.76 ppm; 3.39 A): 4 out of 6 assignments used, quality = 1.00: * HD3 ARG 144 + HB3 ARG 144 OK 98 100 - 98 - 4.0=63, 3.0/4913=18...(54) HD2 ARG 144 + HB3 ARG 144 OK 96 98 - 99 - 4.0=63, 3.0/4913=18...(56) HD2 ARG 55 + HB3 ARG 144 OK 50 92 - 54 - 4889/1.8=6, 4922=5...(29) HD3 ARG 55 + HB3 ARG 144 OK 48 100 - 48 - 4889/1.8=5, 4931=5...(24) HD2 ARG 141 - HB3 ARG 144 OK 25 72 - 34 - 3.0/4896=4, 4890/1.8=3...(21) HA VAL 73 - HB3 ARG 144 OK 17 100 - 17 - 3.0/4900=3, 4890/1.8=2...(8) Peak 4900 from cnoeabs.peaks (8.01, 1.73, 30.76 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.95: * H ARG 145 + HB3 ARG 144 OK 92 100 - 92 - 4.3=63, 7887/3.0=30...(11) H THR 51 + HB3 ARG 144 OK 41 96 - 43 - 8221/3.0=10, 4891/1.8=9...(12) H VAL 73 - HB3 ARG 144 OK 23 81 - 28 - 4891/1.8=5, 4918/3.0=4...(11) H ARG 140 - HB3 ARG 144 OK 15 68 - 22 - 4891/1.8=3, 4918/3.0=2...(13) H ALA 104 - HB3 ARG 144 lone 9 89 - 10 - 4891/1.8=2, 4918/3.0=2...(4) Peak 4901 from cnoeabs.peaks (8.03, 1.60, 27.30 ppm; 3.41 A): 3 out of 6 assignments used, quality = 0.95: * H ARG 144 + HG2 ARG 144 OK 90 100 - 90 - 4.9=33, 4883/3.0=19...(29) H ILE 58 + HG2 ARG 144 OK 36 99 - 36 - 4883/3.0=9, 4892/3.0=9...(10) H ARG 144 + HG2 ARG 141 OK 19 96 - 20 - 3.0/4902=3, 7880=3...(7) H ILE 58 - HG2 ARG 141 lone 4 93 - 4 - H GLN 133 - HG2 ARG 144 lone 1 72 - 2 - H GLN 133 - HG2 ARG 141 lone 1 65 - 1 - Peak 4902 from cnoeabs.peaks (4.36, 1.60, 27.30 ppm; 2.94 A): 3 out of 10 assignments used, quality = 0.94: * HA ARG 144 + HG2 ARG 144 OK 91 100 - 91 - 3.9=42, 4879/1.8=16...(43) HB THR 51 + HG2 ARG 144 OK 22 100 - 22 - 4884/3.0=4, 4893/3.0=4...(10) HA ARG 144 + HG2 ARG 141 OK 18 96 - 19 - 4878=4, 3.0/4896=3...(6) HA3 GLY 77 - HG2 ARG 144 poor 9 94 - 10 - 4893/3.0=2, 4884/3.0=2...(4) HA ASP 65 - HG2 ARG 144 lone 8 94 - 9 - 8385/3.0=3, 4884/3.0=2, ~6624=1 HA ASP 65 - HG2 ARG 141 lone 6 87 - 7 - 10819/1.8=1 HA ASN 96 - HG2 ARG 141 lone 3 56 - 6 - 3.6/7156=2, 9085/3.8=1 HA ASN 96 - HG2 ARG 144 lone 2 62 - 3 - HB THR 51 - HG2 ARG 141 lone 2 95 - 2 - HA3 GLY 77 - HG2 ARG 141 lone 1 87 - 1 - Peak 4903 from cnoeabs.peaks (1.87, 1.60, 27.30 ppm; 2.50 A): 2 out of 16 assignments used, quality = 0.95: * HB2 ARG 144 + HG2 ARG 144 OK 92 100 - 92 - 3.0=61, 4888/1.8=11...(48) HB2 LYS 48 + HG2 ARG 144 OK 35 100 - 35 - 4894/3.0=3, 1154=2...(12) HB3 LYS 48 - HG2 ARG 144 OK 35 100 - 35 - 4894/3.0=3, 2.9/1177=2...(13) HB2 LYS 36 - HG2 ARG 144 OK 28 100 - 28 - 4894/3.0=3, 3.0/688=2...(13) HB2 LYS 36 - HG2 ARG 141 OK 24 95 - 25 - 668/2.8=2, ~679=2...(9) HB2 LYS 48 - HG2 ARG 141 OK 24 94 - 26 - 2.9/1177=2, 668/2.8=1...(7) HB3 LYS 48 - HG2 ARG 141 OK 22 94 - 24 - 2.9/1177=2, 668/2.8=2...(6) HB2 ARG 144 - HG2 ARG 141 OK 22 96 - 23 - 4887=3, 1.8/4896=3...(4) HB3 LYS 85 - HG2 ARG 144 lone 7 85 - 8 - HB3 LYS 85 - HG2 ARG 141 lone 2 78 - 3 - HG LEU 69 - HG2 ARG 144 lone 2 77 - 2 - HB3 LYS 76 - HG2 ARG 144 lone 2 68 - 2 - HB3 GLU 28 - HG2 ARG 144 lone 1 62 - 1 - HG LEU 69 - HG2 ARG 141 lone 1 70 - 1 - HB3 LYS 76 - HG2 ARG 141 lone 0 60 - 1 - HB3 GLU 28 - HG2 ARG 141 lone 0 56 - 0 - Peak 4904 from cnoeabs.peaks (1.73, 1.60, 27.30 ppm; 2.50 A): 2 out of 18 assignments used, quality = 0.94: * HB3 ARG 144 + HG2 ARG 144 OK 92 100 - 92 - 3.0=61, 4897/1.8=12...(48) HG3 ARG 140 + HG2 ARG 141 OK 29 78 - 38 - 2.9/4798=3, 4744/2.8=3...(13) HD2 LYS 36 - HG2 ARG 144 OK 28 100 - 28 - 4886/3.0=3, 1.8/4797=3...(9) HD2 LYS 36 - HG2 ARG 141 OK 27 95 - 28 - 1.8/4797=3, 712/2.8=2...(8) HB3 ARG 144 - HG2 ARG 141 OK 23 96 - 24 - 4896=4, 1.8/4887=3...(5) HB2 ARG 49 - HG2 ARG 144 OK 21 81 - 26 - 1252/1.8=2, 4886/3.0=2...(8) HB3 GLU 81 - HG2 ARG 144 OK 12 100 - 12 - 4886/3.0=2, 4877/3.9=1 HB2 GLU 81 - HG2 ARG 144 OK 10 89 - 12 - 4886/3.0=2, 4877/3.9=1 HG3 ARG 89 - HG2 ARG 141 lone 4 92 - 5 - HG3 ARG 140 - HG2 ARG 144 lone 4 85 - 4 - HB3 ARG 109 - HG2 ARG 144 lone 3 92 - 4 - HB2 ARG 49 - HG2 ARG 141 lone 3 74 - 4 - HG3 ARG 89 - HG2 ARG 144 lone 3 98 - 3 - HB3 GLU 81 - HG2 ARG 141 lone 2 94 - 2 - HG LEU 66 - HG2 ARG 144 lone 2 96 - 2 - HB2 GLU 81 - HG2 ARG 141 lone 2 81 - 2 - HB3 ARG 109 - HG2 ARG 141 lone 1 84 - 1 - HG LEU 66 - HG2 ARG 141 lone 1 90 - 1 - Peak 4905 from cnoeabs.peaks (1.60, 1.60, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 144 + HG2 ARG 144 OK 100 100 - 100 HG2 ARG 141 + HG2 ARG 141 OK 93 93 - 100 Peak 4906 from cnoeabs.peaks (1.62, 1.60, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: HG2 ARG 141 + HG2 ARG 141 OK 78 78 - 100 HG2 ARG 144 + HG2 ARG 144 OK 68 68 - 100 Reference assignment not found: HG3 ARG 144 - HG2 ARG 144 Peak 4907 from cnoeabs.peaks (3.18, 1.60, 27.30 ppm; 2.50 A): 2 out of 10 assignments used, quality = 0.98: * HD2 ARG 144 + HG2 ARG 144 OK 85 100 - 85 - 3.0=60, 4924/1.8=6...(44) HD3 ARG 144 + HG2 ARG 144 OK 83 98 - 85 - 3.0=60, 1.8/4923=6...(44) HD2 ARG 55 - HG2 ARG 144 OK 25 100 - 26 - 4889/3.0=2, 4898/3.0=2...(10) HD3 ARG 55 - HG2 ARG 144 OK 22 100 - 22 - 4889/3.0=2, 4898/3.0=2...(10) HD2 ARG 144 - HG2 ARG 141 OK 17 96 - 18 - 4923=2, 1.8/4932=1...(5) HD3 ARG 144 - HG2 ARG 141 OK 15 92 - 16 - 4932=2, 1.8/4923=2...(4) HA VAL 73 - HG2 ARG 144 lone 8 96 - 8 - 3.0/4909=1 HD2 ARG 55 - HG2 ARG 141 lone 7 94 - 7 - 4811/1.8=1 HD3 ARG 55 - HG2 ARG 141 lone 7 94 - 7 - HA VAL 73 - HG2 ARG 141 lone 2 90 - 2 - Peak 4908 from cnoeabs.peaks (3.19, 1.60, 27.30 ppm; 2.50 A): 3 out of 12 assignments used, quality = 0.99: * HD3 ARG 144 + HG2 ARG 144 OK 85 100 - 85 - 3.0=60, 4933/1.8=6...(44) HD2 ARG 144 + HG2 ARG 144 OK 83 98 - 85 - 3.0=60, 4924/1.8=5...(44) HD2 ARG 141 + HG2 ARG 141 OK 55 65 - 84 - 3.0=58, 1.8/4826=6...(34) HD2 ARG 55 - HG2 ARG 144 OK 23 92 - 25 - 4889/3.0=2, 4898/3.0=2...(10) HD3 ARG 55 - HG2 ARG 144 OK 22 100 - 22 - 4889/3.0=2, 4898/3.0=2...(10) HD3 ARG 144 - HG2 ARG 141 OK 16 96 - 17 - 4932=2, 1.8/4923=2...(5) HD2 ARG 144 - HG2 ARG 141 OK 16 92 - 17 - 4923=2, 1.8/4932=1...(5) HD2 ARG 141 - HG2 ARG 144 OK 16 72 - 22 - 3.0/4808=2, 1.8/4826=2...(7) HA VAL 73 - HG2 ARG 144 lone 8 100 - 8 - 3.0/4909=1 HD3 ARG 55 - HG2 ARG 141 lone 7 95 - 7 - HD2 ARG 55 - HG2 ARG 141 lone 6 84 - 7 - HA VAL 73 - HG2 ARG 141 lone 3 95 - 3 - Peak 4909 from cnoeabs.peaks (8.01, 1.60, 27.30 ppm; 3.63 A): 6 out of 10 assignments used, quality = 0.94: * H ARG 145 + HG2 ARG 144 OK 73 100 - 73 - 7887/3.9=22, 7888/3.0=21...(9) H ARG 140 + HG2 ARG 141 OK 39 60 - 65 - 3.2/4795=9, ~4804=8...(28) H THR 51 + HG2 ARG 144 OK 36 96 - 37 - 8221/1.8=13, 4891/3.0=7...(8) H ARG 145 + HG2 ARG 141 OK 21 96 - 22 - 7890=5, 3.6/4902=3...(7) H VAL 73 + HG2 ARG 144 OK 19 81 - 23 - 4891/3.0=4, 4900/3.0=4...(7) H ARG 140 + HG2 ARG 144 OK 10 68 - 15 - 3.2/4795=4, 4900/3.0=2...(5) H ALA 104 - HG2 ARG 144 lone 8 89 - 8 - 4891/3.0=1, 4900/3.0=1, ~9201=1 H ALA 104 - HG2 ARG 141 lone 7 81 - 8 - 9206/3.8=2, 7832/4.9=1 H VAL 73 - HG2 ARG 141 lone 6 74 - 7 - 7832/4.9=1 H THR 51 - HG2 ARG 141 lone 4 90 - 5 - Peak 4910 from cnoeabs.peaks (8.03, 1.62, 27.30 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.94: * H ARG 144 + HG3 ARG 144 OK 91 100 - 91 - 4.9=35, 3.0/4911=20...(28) H ILE 58 + HG3 ARG 144 OK 38 99 - 38 - 4883/3.0=9, 4892/3.0=9...(11) H GLN 133 - HG3 ARG 144 lone 2 72 - 2 - Peak 4911 from cnoeabs.peaks (4.36, 1.62, 27.30 ppm; 3.07 A): 1 out of 5 assignments used, quality = 0.93: * HA ARG 144 + HG3 ARG 144 OK 93 100 - 93 - 3.9=48, 4878/1.8=17...(42) HB THR 51 - HG3 ARG 144 OK 24 100 - 24 - 4.0/8221=5, 2.1/8226=4...(9) HA3 GLY 77 - HG3 ARG 144 OK 11 94 - 11 - 4893/3.0=3, 4884/3.0=2...(4) HA ASP 65 - HG3 ARG 144 OK 10 94 - 11 - 8385/3.0=3, 4884/3.0=2 HA ASN 96 - HG3 ARG 144 lone 2 62 - 3 - Peak 4912 from cnoeabs.peaks (1.87, 1.62, 27.30 ppm; 2.52 A): 2 out of 8 assignments used, quality = 0.95: * HB2 ARG 144 + HG3 ARG 144 OK 93 100 - 93 - 3.0=63, 1.8/4913=16...(48) HB2 LYS 48 + HG3 ARG 144 OK 36 100 - 36 - 4894/3.0=3, 2.9/1177=3...(11) HB3 LYS 48 - HG3 ARG 144 OK 36 100 - 36 - 4894/3.0=3, 2.9/1177=3...(11) HB2 LYS 36 - HG3 ARG 144 OK 25 100 - 26 - 4894/3.0=3, 3.6/4913=2...(10) HB3 LYS 85 - HG3 ARG 144 lone 7 85 - 8 - 1.8/4913=1 HG LEU 69 - HG3 ARG 144 lone 2 77 - 2 - HB3 LYS 76 - HG3 ARG 144 lone 2 68 - 3 - HB3 GLU 28 - HG3 ARG 144 lone 1 62 - 1 - Peak 4913 from cnoeabs.peaks (1.73, 1.62, 27.30 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.94: * HB3 ARG 144 + HG3 ARG 144 OK 92 100 - 92 - 3.0=61, 1.8/4912=14...(48) HD2 LYS 36 + HG3 ARG 144 OK 27 100 - 27 - 4886/3.0=3, 710/1.8=2...(9) HB2 ARG 49 - HG3 ARG 144 OK 23 81 - 29 - 1252=3, 1.8/1261=2...(12) HB3 GLU 81 - HG3 ARG 144 OK 11 100 - 11 - 4886/3.0=2, 4877/3.9=1 HB2 GLU 81 - HG3 ARG 144 OK 10 89 - 11 - 4886/3.0=2, 4877/3.9=1 HG3 ARG 140 - HG3 ARG 144 lone 4 85 - 4 - HB3 ARG 109 - HG3 ARG 144 lone 3 92 - 4 - HG3 ARG 89 - HG3 ARG 144 lone 3 98 - 3 - HG LEU 66 - HG3 ARG 144 lone 2 96 - 2 - Peak 4914 from cnoeabs.peaks (1.60, 1.62, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG3 ARG 144 + HG3 ARG 144 OK 68 68 - 100 Reference assignment not found: HG2 ARG 144 - HG3 ARG 144 Peak 4915 from cnoeabs.peaks (1.62, 1.62, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 144 + HG3 ARG 144 OK 100 100 - 100 Peak 4916 from cnoeabs.peaks (3.18, 1.62, 27.30 ppm; 2.56 A): 2 out of 5 assignments used, quality = 0.98: * HD2 ARG 144 + HG3 ARG 144 OK 88 100 - 88 - 3.0=65, 4.0/4913=7...(44) HD3 ARG 144 + HG3 ARG 144 OK 86 98 - 88 - 3.0=65, 4.0/4913=7...(44) HD2 ARG 55 - HG3 ARG 144 OK 27 100 - 27 - 4889/3.0=3, 4924=3...(14) HD3 ARG 55 - HG3 ARG 144 OK 23 100 - 24 - 4933=2, 4889/3.0=2...(10) HA VAL 73 - HG3 ARG 144 lone 9 96 - 9 - 3.0/4918=2 Peak 4917 from cnoeabs.peaks (3.19, 1.62, 27.30 ppm; 2.56 A): 2 out of 6 assignments used, quality = 0.98: * HD3 ARG 144 + HG3 ARG 144 OK 88 100 - 88 - 3.0=65, 4.0/4913=7...(44) HD2 ARG 144 + HG3 ARG 144 OK 86 98 - 88 - 3.0=65, 4.0/4913=7...(44) HD2 ARG 55 - HG3 ARG 144 OK 25 92 - 27 - 4924=3, 4889/3.0=3...(14) HD3 ARG 55 - HG3 ARG 144 OK 23 100 - 23 - 4933=2, 4889/3.0=2...(10) HD2 ARG 141 - HG3 ARG 144 OK 16 72 - 22 - 3.0/4808=2, 1.8/4826=1...(7) HA VAL 73 - HG3 ARG 144 lone 9 100 - 9 - 3.0/4918=2 Peak 4918 from cnoeabs.peaks (8.01, 1.62, 27.30 ppm; 3.73 A): 4 out of 5 assignments used, quality = 0.90: * H ARG 145 + HG3 ARG 144 OK 75 100 - 75 - 7887/3.9=23, 7888/3.0=22...(9) H THR 51 + HG3 ARG 144 OK 43 96 - 44 - 8221=15, 4891/3.0=7...(10) H VAL 73 + HG3 ARG 144 OK 21 81 - 25 - 4891/3.0=4, 4900/3.0=4...(7) H ARG 140 + HG3 ARG 144 OK 13 68 - 20 - ~4795=3, 4900/3.0=2...(9) H ALA 104 - HG3 ARG 144 lone 9 89 - 9 - 2.9/9201=2, 4891/3.0=1 Peak 4920 from cnoeabs.peaks (4.36, 3.18, 43.40 ppm; 4.20 A): 3 out of 20 assignments used, quality = 1.00: * HA ARG 144 + HD2 ARG 144 OK 99 100 - 99 - 5.2=54, 4911/3.0=27...(43) HA ARG 144 + HD3 ARG 144 OK 91 92 - 99 - 5.2=54, 4911/3.0=27...(43) HA ARG 144 + HD2 ARG 55 OK 47 80 - 59 - 4880=8, 3.0/4898=7...(25) HA ARG 144 - HD3 ARG 55 OK 42 80 - 53 - 4880/1.8=7, 4880=7...(20) HB THR 51 - HD2 ARG 144 OK 37 100 - 37 - 4911/3.0=7, 4893/4.0=6...(9) HB THR 51 - HD3 ARG 144 OK 33 91 - 36 - 4911/3.0=7, 4893/4.0=6...(9) HA ASP 65 - HD2 ARG 144 OK 16 94 - 17 - 8385/4.0=5, 4884/4.0=3...(5) HA ASP 65 - HD3 ARG 144 OK 14 83 - 17 - 8385/4.0=5, 4884/4.0=3...(5) HA3 GLY 77 - HD2 ARG 144 OK 13 94 - 14 - 4893/4.0=4, 4884/4.0=3...(4) HA3 GLY 77 - HD3 ARG 144 OK 11 83 - 14 - 4893/4.0=4, 4884/4.0=3...(4) HB THR 51 - HD2 ARG 55 lone 4 79 - 5 - 2.1/10462=1 HB THR 51 - HD3 ARG 55 lone 4 79 - 5 - HA ASN 96 - HD2 ARG 144 lone 3 62 - 4 - HA ASN 96 - HD3 ARG 144 lone 2 52 - 4 - HA ASP 65 - HD2 ARG 55 lone 2 71 - 3 - HA ASP 65 - HD3 ARG 55 lone 2 71 - 2 - HA3 GLY 77 - HD2 ARG 55 lone 1 71 - 2 - HA3 GLY 77 - HD3 ARG 55 lone 1 71 - 2 - HA ASN 96 - HD2 ARG 55 lone 1 43 - 1 - HA ASN 96 - HD3 ARG 55 lone 1 43 - 1 - Peak 4921 from cnoeabs.peaks (1.87, 3.18, 43.40 ppm; 2.92 A): 2 out of 32 assignments used, quality = 0.99: * HB2 ARG 144 + HD2 ARG 144 OK 94 100 - 94 - 4.0=40, 4912/3.0=12...(57) HB2 ARG 144 + HD3 ARG 144 OK 86 92 - 94 - 4.0=40, 4912/3.0=12...(55) HB2 ARG 144 - HD2 ARG 55 OK 37 80 - 46 - 4889=6, 1.8/4898=5...(23) HB2 ARG 144 - HD3 ARG 55 OK 32 80 - 40 - 4889=6, 4889/1.8=5...(18) HB2 LYS 48 - HD2 ARG 144 OK 28 100 - 28 - 4912/3.0=5, 4903/3.0=3...(9) HB3 LYS 48 - HD2 ARG 144 OK 26 100 - 27 - 4912/3.0=5, 4903/3.0=3...(9) HB2 LYS 48 - HD3 ARG 144 OK 25 90 - 28 - 4912/3.0=5, 4903/3.0=3...(9) HB3 LYS 48 - HD3 ARG 144 OK 24 90 - 27 - 4912/3.0=5, 4903/3.0=3...(9) HB2 LYS 36 - HD2 ARG 144 OK 15 100 - 15 - 4912/3.0=3, 4894/4.0=3...(6) HB2 LYS 36 - HD3 ARG 144 OK 14 92 - 15 - 4912/3.0=3, 4894/4.0=3...(5) HB3 LYS 85 - HD2 ARG 144 lone 5 85 - 6 - 4912/3.0=1 HB3 LYS 85 - HD3 ARG 144 lone 4 73 - 6 - 4912/3.0=1 HB3 LYS 76 - HD2 ARG 55 lone 4 47 - 8 - 1.8/2249=1, 2261/1.8=1...(4) HB3 LYS 76 - HD3 ARG 55 lone 4 47 - 8 - 1.8/2249=1, 2261/1.8=1 HB3 LYS 76 - HD2 ARG 144 lone 3 68 - 5 - HG LEU 69 - HD2 ARG 144 lone 3 77 - 4 - 2.1/8461=1 HB3 LYS 76 - HD3 ARG 144 lone 3 57 - 5 - HG LEU 69 - HD3 ARG 144 lone 3 65 - 4 - 2.1/8461=1 HB2 LYS 48 - HD2 ARG 55 lone 1 78 - 2 - HB3 LYS 48 - HD2 ARG 55 lone 1 78 - 2 - HB2 LYS 36 - HD2 ARG 55 lone 1 80 - 2 - HB2 LYS 48 - HD3 ARG 55 lone 1 78 - 2 - HB3 LYS 48 - HD3 ARG 55 lone 1 78 - 2 - HB2 LYS 36 - HD3 ARG 55 lone 1 80 - 1 - HG LEU 69 - HD2 ARG 55 lone 1 55 - 2 - HG LEU 69 - HD3 ARG 55 lone 1 55 - 2 - HB3 LYS 85 - HD3 ARG 55 lone 1 62 - 2 - HB3 LYS 85 - HD2 ARG 55 lone 1 62 - 2 - HB3 GLU 28 - HD2 ARG 144 lone 1 62 - 1 - HB3 GLU 28 - HD3 ARG 144 lone 0 52 - 1 - HB3 GLU 28 - HD3 ARG 55 lone 0 43 - 0 - HB3 GLU 28 - HD2 ARG 55 lone 0 43 - 0 - Peak 4922 from cnoeabs.peaks (1.73, 3.18, 43.40 ppm; 2.95 A): 2 out of 36 assignments used, quality = 0.99: * HB3 ARG 144 + HD2 ARG 144 OK 94 100 - 94 - 4.0=41, 4913/3.0=14...(56) HB3 ARG 144 + HD3 ARG 144 OK 86 92 - 94 - 4.0=41, 4913/3.0=14...(54) HB3 ARG 144 - HD2 ARG 55 OK 37 80 - 46 - 4898=6, 1.8/4889=5...(22) HB3 ARG 144 - HD3 ARG 55 OK 32 80 - 40 - 4898=5, 4898/1.8=5...(19) HD2 LYS 36 - HD2 ARG 144 OK 19 100 - 20 - 4913/3.0=4, 4886/4.0=3...(7) HD2 LYS 36 - HD3 ARG 144 OK 18 91 - 19 - 4913/3.0=4, 4886/4.0=3...(7) HB2 ARG 49 - HD2 ARG 144 OK 14 81 - 18 - 4913/3.0=4, 4904/3.0=2...(5) HB2 ARG 49 - HD3 ARG 144 OK 12 69 - 18 - 4913/3.0=4, 4904/3.0=2...(5) HB3 GLU 81 - HD2 ARG 144 lone 9 100 - 9 - 4913/3.0=2, 4886/4.0=2...(4) HB3 GLU 81 - HD3 ARG 144 lone 8 90 - 9 - 4913/3.0=2, 4886/4.0=2...(4) HB2 GLU 81 - HD2 ARG 144 lone 8 89 - 9 - 4913/3.0=2, 4886/4.0=2 HB2 GLU 81 - HD3 ARG 144 lone 7 77 - 9 - 4913/3.0=2, 4886/4.0=2 HG3 ARG 140 - HD2 ARG 144 lone 3 85 - 3 - HG3 ARG 140 - HD3 ARG 144 lone 2 73 - 3 - HB3 ARG 109 - HD2 ARG 144 lone 2 92 - 2 - HB3 ARG 109 - HD3 ARG 144 lone 2 80 - 2 - HG3 ARG 89 - HD2 ARG 144 lone 2 98 - 2 - HG3 ARG 89 - HD3 ARG 144 lone 2 87 - 2 - HG LEU 66 - HD2 ARG 144 lone 1 96 - 2 - HD2 LYS 36 - HD2 ARG 55 lone 1 79 - 2 - HG LEU 66 - HD3 ARG 144 lone 1 85 - 2 - HD2 LYS 36 - HD3 ARG 55 lone 1 79 - 2 - HB3 GLU 81 - HD2 ARG 55 lone 1 78 - 1 - HB2 ARG 49 - HD2 ARG 55 lone 1 58 - 2 - HB3 GLU 81 - HD3 ARG 55 lone 1 78 - 1 - HB2 ARG 49 - HD3 ARG 55 lone 1 58 - 2 - HB2 GLU 81 - HD2 ARG 55 lone 1 65 - 1 - HB2 GLU 81 - HD3 ARG 55 lone 1 65 - 1 - HB3 ARG 109 - HD2 ARG 55 lone 1 68 - 1 - HB3 ARG 109 - HD3 ARG 55 lone 1 68 - 1 - HG LEU 66 - HD2 ARG 55 lone 0 73 - 1 - HG LEU 66 - HD3 ARG 55 lone 0 73 - 1 - HG3 ARG 140 - HD2 ARG 55 lone 0 62 - 1 - HG3 ARG 140 - HD3 ARG 55 lone 0 62 - 1 - HG3 ARG 89 - HD2 ARG 55 lone 0 75 - 0 - HG3 ARG 89 - HD3 ARG 55 lone 0 75 - 0 - Peak 4923 from cnoeabs.peaks (1.60, 3.18, 43.40 ppm; 2.59 A): 4 out of 52 assignments used, quality = 1.00: * HG2 ARG 144 + HD2 ARG 144 OK 92 100 - 92 - 3.0=67, 1.8/4916=15...(44) HG2 ARG 144 + HD3 ARG 144 OK 84 92 - 92 - 3.0=67, 1.8/4916=14...(44) HG3 ARG 144 + HD2 ARG 144 OK 61 68 - 91 - 3.0=67, 1.8/4907=12...(46) HG3 ARG 144 + HD3 ARG 144 OK 51 57 - 90 - 3.0=67, 1.8/4907=12...(44) HG2 ARG 144 - HD2 ARG 55 OK 26 80 - 33 - 4907=5, 1.8/4916=4...(18) HG2 ARG 144 - HD3 ARG 55 OK 23 80 - 28 - 4907=4, 1.8/4916=3...(13) HG2 ARG 141 - HD2 ARG 144 OK 22 99 - 22 - 4907=4, 4907/1.8=2...(6) HG2 ARG 141 - HD3 ARG 144 OK 18 89 - 20 - 4907=3, 4907/1.8=2...(5) HG3 LYS 48 - HD2 ARG 144 OK 16 100 - 16 - 4897/4.0=2, 4888/4.0=2...(5) HG3 LYS 36 - HD2 ARG 144 OK 15 89 - 17 - 4887/4.0=2, 4896/4.0=2...(4) HG3 LYS 48 - HD3 ARG 144 OK 15 92 - 16 - 4897/4.0=2, 4888/4.0=2...(5) HG3 ARG 144 - HD2 ARG 55 OK 15 47 - 31 - 4916=3, 1.8/4907=3...(18) HG3 LYS 36 - HD3 ARG 144 OK 13 77 - 17 - 4887/4.0=2, 4896/4.0=2, ~688=1 HG3 ARG 144 - HD3 ARG 55 OK 13 47 - 27 - 4916=3, 1.8/4907=3...(13) HG3 ARG 49 - HD2 ARG 144 poor 10 77 - 13 - 4887/4.0=1 HG3 ARG 49 - HD3 ARG 144 poor 8 65 - 13 - 4887/4.0=1 HB2 LEU 79 - HD3 ARG 55 poor 7 71 - 10 - 2368/3.0=2, 2368/3.0=2 HB2 LEU 79 - HD2 ARG 55 lone 7 71 - 10 - 2368/3.0=2, 2368/3.0=2 HG2 ARG 141 - HD2 ARG 55 lone 7 77 - 9 - 4907=1, 1.8/4811=1 HG2 ARG 141 - HD3 ARG 55 lone 7 77 - 8 - 4907=1 HG LEU 108 - HD2 ARG 144 lone 3 98 - 4 - HB2 LEU 97 - HD2 ARG 144 lone 3 100 - 3 - HG LEU 108 - HD3 ARG 144 lone 3 87 - 4 - HB2 LEU 97 - HD3 ARG 144 lone 3 90 - 3 - HB2 LEU 87 - HD2 ARG 144 lone 3 72 - 4 - HB2 LEU 79 - HD2 ARG 144 lone 2 94 - 2 - HB2 LEU 87 - HD3 ARG 144 lone 2 61 - 4 - HB2 LEU 79 - HD3 ARG 144 lone 2 83 - 2 - HB3 LEU 64 - HD2 ARG 144 lone 1 68 - 2 - HB3 LEU 64 - HD3 ARG 144 lone 1 57 - 2 - HG3 LYS 48 - HD2 ARG 55 lone 1 80 - 1 - HG3 LYS 48 - HD3 ARG 55 lone 1 80 - 1 - HG3 LYS 36 - HD2 ARG 55 lone 1 65 - 1 - HG3 LYS 36 - HD3 ARG 55 lone 1 65 - 1 - HD2 LYS 61 - HD2 ARG 144 lone 0 89 - 1 - HD3 LYS 61 - HD2 ARG 144 lone 0 89 - 1 - HD2 LYS 61 - HD3 ARG 144 lone 0 77 - 1 - HD3 LYS 61 - HD3 ARG 144 lone 0 77 - 1 - HB2 LEU 97 - HD2 ARG 55 lone 0 78 - 1 - HG3 ARG 49 - HD2 ARG 55 lone 0 55 - 1 - HB2 LEU 87 - HD3 ARG 55 lone 0 51 - 1 - HB2 LEU 87 - HD2 ARG 55 lone 0 51 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 0 55 - 1 - HB2 LEU 97 - HD3 ARG 55 lone 0 78 - 0 - HG LEU 108 - HD3 ARG 55 lone 0 75 - 0 - HG LEU 108 - HD2 ARG 55 lone 0 75 - 0 - HD2 LYS 61 - HD2 ARG 55 lone 0 65 - 0 - HD3 LYS 61 - HD2 ARG 55 lone 0 65 - 0 - HD2 LYS 61 - HD3 ARG 55 lone 0 65 - 0 - HD3 LYS 61 - HD3 ARG 55 lone 0 65 - 0 - HB3 LEU 64 - HD2 ARG 55 lone 0 47 - 0 - HB3 LEU 64 - HD3 ARG 55 lone 0 47 - 0 - Peak 4924 from cnoeabs.peaks (1.62, 3.18, 43.40 ppm; 2.65 A): 4 out of 44 assignments used, quality = 1.00: * HG3 ARG 144 + HD2 ARG 144 OK 94 100 - 94 - 3.0=72, 4916/1.8=15...(46) HG3 ARG 144 + HD3 ARG 144 OK 86 92 - 93 - 3.0=72, 4916/1.8=15...(44) HG2 ARG 144 + HD2 ARG 144 OK 63 68 - 93 - 3.0=72, 1.8/4916=15...(44) HG2 ARG 144 + HD3 ARG 144 OK 53 57 - 93 - 3.0=72, 1.8/4916=15...(44) HG3 ARG 144 - HD2 ARG 55 OK 28 80 - 36 - 4916=6, 4916/1.8=3...(18) HG3 ARG 144 - HD3 ARG 55 OK 25 80 - 31 - 4916=5, 4916/1.8=4...(14) HG2 ARG 141 - HD2 ARG 144 OK 16 85 - 19 - 4907=2, 4907/1.8=1...(9) HG2 ARG 144 - HD2 ARG 55 OK 15 47 - 32 - 1.8/4916=4, 3.0/4889=3...(18) HG3 ARG 49 - HD2 ARG 144 OK 15 100 - 15 - 1276/4.0=1, 4888/4.0=1, ~1270=1 HG3 ARG 49 - HD3 ARG 144 OK 13 91 - 15 - 1276/4.0=1, 4888/4.0=1, ~1270=1 HG2 ARG 144 - HD3 ARG 55 OK 13 47 - 27 - 1.8/4916=3, 3.0/4889=2...(13) HG2 ARG 141 - HD3 ARG 144 OK 13 73 - 17 - 4907=2, 4907/1.8=1...(8) HG3 LYS 48 - HD2 ARG 144 OK 10 62 - 16 - 2.9/4921=2, 2.9/4921=1...(5) HG3 LYS 48 - HD3 ARG 144 poor 8 52 - 16 - 2.9/4921=1, 2.9/4921=1...(5) HG2 ARG 141 - HD2 ARG 55 lone 5 62 - 8 - 1.8/4811=1 HG2 ARG 141 - HD3 ARG 55 lone 5 62 - 8 - HB2 LEU 87 - HD2 ARG 144 lone 4 100 - 4 - HB2 LEU 87 - HD3 ARG 144 lone 4 92 - 4 - HG LEU 108 - HD2 ARG 144 lone 3 89 - 4 - HG LEU 108 - HD3 ARG 144 lone 3 77 - 4 - HB3 LEU 64 - HD2 ARG 144 lone 3 100 - 3 - HB2 LEU 97 - HD2 ARG 144 lone 2 81 - 3 - HB3 LEU 64 - HD3 ARG 144 lone 2 92 - 3 - HB2 LEU 97 - HD3 ARG 144 lone 2 69 - 3 - HB2 LEU 87 - HD3 ARG 55 lone 1 80 - 1 - HB2 LEU 87 - HD2 ARG 55 lone 1 80 - 1 - HG3 ARG 49 - HD2 ARG 55 lone 1 79 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 1 79 - 1 - HG3 LYS 34 - HD2 ARG 144 lone 1 77 - 1 - HG3 LYS 34 - HD3 ARG 144 lone 0 65 - 1 - HG3 LYS 48 - HD2 ARG 55 lone 0 43 - 1 - HD2 LYS 24 - HD2 ARG 144 lone 0 77 - 0 - HB3 LEU 64 - HD2 ARG 55 lone 0 80 - 0 - HB3 LEU 64 - HD3 ARG 55 lone 0 80 - 0 - HG3 LYS 48 - HD3 ARG 55 lone 0 43 - 1 - HD2 LYS 24 - HD3 ARG 144 lone 0 65 - 0 - HB2 LEU 97 - HD2 ARG 55 lone 0 58 - 0 - HG LEU 108 - HD2 ARG 55 lone 0 65 - 0 - HG LEU 108 - HD3 ARG 55 lone 0 65 - 0 - HB2 LEU 97 - HD3 ARG 55 lone 0 58 - 0 - HG3 LYS 34 - HD2 ARG 55 lone 0 55 - 0 - HG3 LYS 34 - HD3 ARG 55 lone 0 55 - 0 - HD2 LYS 24 - HD2 ARG 55 lone 0 55 - 0 - HD2 LYS 24 - HD3 ARG 55 lone 0 55 - 0 - Peak 4925 from cnoeabs.peaks (3.18, 3.18, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 144 + HD2 ARG 144 OK 100 100 - 100 HD3 ARG 144 + HD3 ARG 144 OK 87 87 - 100 HD3 ARG 55 + HD3 ARG 55 OK 78 78 - 100 HD2 ARG 55 + HD2 ARG 55 OK 78 78 - 100 Peak 4926 from cnoeabs.peaks (3.19, 3.18, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 144 + HD2 ARG 144 OK 98 98 - 100 HD3 ARG 144 + HD3 ARG 144 OK 92 92 - 100 HD3 ARG 55 + HD3 ARG 55 OK 79 79 - 100 HD2 ARG 55 + HD2 ARG 55 OK 68 68 - 100 Reference assignment not found: HD3 ARG 144 - HD2 ARG 144 Peak 4929 from cnoeabs.peaks (4.36, 3.19, 43.40 ppm; 4.20 A): 2 out of 20 assignments used, quality = 1.00: * HA ARG 144 + HD3 ARG 144 OK 99 100 - 99 - 5.2=54, 4911/3.0=27...(43) HA ARG 144 + HD2 ARG 144 OK 91 92 - 99 - 5.2=54, 4911/3.0=27...(43) HA ARG 144 - HD3 ARG 55 OK 43 83 - 52 - 4880/1.8=7, 4880=7...(21) HB THR 51 - HD3 ARG 144 OK 37 100 - 38 - 4911/3.0=7, 4893/4.0=6...(9) HB THR 51 - HD2 ARG 144 OK 34 91 - 37 - 4911/3.0=7, 4893/4.0=6...(9) HA ARG 144 - HD2 ARG 55 OK 32 55 - 59 - 4880=8, 3.0/4898=6...(25) HA ASP 65 - HD3 ARG 144 OK 16 94 - 17 - 8385/4.0=5, 4884/4.0=3...(5) HA ASP 65 - HD2 ARG 144 OK 14 83 - 17 - 8385/4.0=5, 4884/4.0=3...(5) HA3 GLY 77 - HD3 ARG 144 OK 13 94 - 14 - 4893/4.0=4, 4884/4.0=3...(4) HA3 GLY 77 - HD2 ARG 144 OK 11 83 - 14 - 4893/4.0=4, 4884/4.0=3...(4) HB THR 51 - HD3 ARG 55 lone 4 82 - 5 - 2.1/10462=1 HA ASN 96 - HD3 ARG 144 lone 3 62 - 4 - HB THR 51 - HD2 ARG 55 lone 3 55 - 5 - HA ASN 96 - HD2 ARG 144 lone 2 52 - 4 - HA ASP 65 - HD3 ARG 55 lone 2 73 - 3 - HA3 GLY 77 - HD3 ARG 55 lone 1 73 - 2 - HA ASP 65 - HD2 ARG 55 lone 1 48 - 3 - HA3 GLY 77 - HD2 ARG 55 lone 1 48 - 2 - HA ASN 96 - HD3 ARG 55 lone 1 45 - 1 - HA ASN 96 - HD2 ARG 55 lone 0 28 - 1 - Peak 4930 from cnoeabs.peaks (1.87, 3.19, 43.40 ppm; 2.92 A): 2 out of 32 assignments used, quality = 0.99: * HB2 ARG 144 + HD3 ARG 144 OK 94 100 - 94 - 4.0=40, 4912/3.0=12...(55) HB2 ARG 144 + HD2 ARG 144 OK 86 92 - 94 - 4.0=40, 4912/3.0=12...(57) HB2 ARG 144 - HD3 ARG 55 OK 33 83 - 40 - 4889=5, 4889/1.8=5...(18) HB2 LYS 48 - HD3 ARG 144 OK 28 100 - 28 - 4912/3.0=5, 4903/3.0=3...(9) HB3 LYS 48 - HD3 ARG 144 OK 26 100 - 27 - 4912/3.0=5, 4903/3.0=3...(9) HB2 ARG 144 - HD2 ARG 55 OK 25 55 - 46 - 4889=6, 1.8/4898=4...(23) HB2 LYS 48 - HD2 ARG 144 OK 25 90 - 28 - 4912/3.0=5, 4903/3.0=3...(9) HB3 LYS 48 - HD2 ARG 144 OK 24 90 - 27 - 4912/3.0=5, 4903/3.0=3...(9) HB2 LYS 36 - HD3 ARG 144 OK 15 100 - 15 - 4912/3.0=3, 4894/4.0=3...(6) HB2 LYS 36 - HD2 ARG 144 OK 14 92 - 15 - 4912/3.0=3, 4894/4.0=3...(6) HB3 LYS 85 - HD3 ARG 144 lone 5 85 - 6 - 4912/3.0=1 HB3 LYS 85 - HD2 ARG 144 lone 5 73 - 6 - 4912/3.0=1 HB3 LYS 76 - HD3 ARG 55 lone 4 49 - 8 - 1.8/2249=1, 4.0/6802=1 HB3 LYS 76 - HD3 ARG 144 lone 3 68 - 5 - HG LEU 69 - HD3 ARG 144 lone 3 77 - 4 - 2.1/8461=1 HB3 LYS 76 - HD2 ARG 144 lone 3 57 - 5 - HG LEU 69 - HD2 ARG 144 lone 3 65 - 4 - 2.1/8461=1 HB3 LYS 76 - HD2 ARG 55 lone 2 30 - 8 - 2261/1.8=1, 1.8/2249=1...(4) HB2 LYS 48 - HD3 ARG 55 lone 1 81 - 2 - HB3 LYS 48 - HD3 ARG 55 lone 1 81 - 2 - HB2 LYS 36 - HD3 ARG 55 lone 1 82 - 2 - HG LEU 69 - HD3 ARG 55 lone 1 57 - 2 - HB3 LYS 85 - HD3 ARG 55 lone 1 64 - 2 - HB2 LYS 48 - HD2 ARG 55 lone 1 54 - 2 - HB3 LYS 48 - HD2 ARG 55 lone 1 54 - 2 - HB2 LYS 36 - HD2 ARG 55 lone 1 55 - 2 - HG LEU 69 - HD2 ARG 55 lone 1 36 - 2 - HB3 LYS 85 - HD2 ARG 55 lone 1 41 - 1 - HB3 GLU 28 - HD3 ARG 144 lone 1 62 - 1 - HB3 GLU 28 - HD2 ARG 144 lone 0 52 - 1 - HB3 GLU 28 - HD3 ARG 55 lone 0 45 - 0 - HB3 GLU 28 - HD2 ARG 55 lone 0 28 - 0 - Peak 4931 from cnoeabs.peaks (1.73, 3.19, 43.40 ppm; 2.95 A): 2 out of 36 assignments used, quality = 0.99: * HB3 ARG 144 + HD3 ARG 144 OK 94 100 - 94 - 4.0=41, 4913/3.0=14...(54) HB3 ARG 144 + HD2 ARG 144 OK 87 92 - 94 - 4.0=41, 4913/3.0=14...(56) HB3 ARG 144 - HD3 ARG 55 OK 33 83 - 40 - 4898=5, 4898/1.8=5...(19) HB3 ARG 144 - HD2 ARG 55 OK 25 55 - 46 - 4898=6, 1.8/4889=5...(22) HD2 LYS 36 - HD3 ARG 144 OK 19 100 - 20 - 4913/3.0=4, 4886/4.0=3...(7) HD2 LYS 36 - HD2 ARG 144 OK 18 91 - 19 - 4913/3.0=4, 4886/4.0=3...(7) HB2 ARG 49 - HD3 ARG 144 OK 15 81 - 18 - 4913/3.0=4, 4904/3.0=2...(5) HB2 ARG 49 - HD2 ARG 144 OK 12 69 - 18 - 4913/3.0=4, 4904/3.0=2...(5) HB3 GLU 81 - HD3 ARG 144 lone 9 100 - 9 - 4913/3.0=2, 4886/4.0=2...(4) HB3 GLU 81 - HD2 ARG 144 lone 8 90 - 9 - 4913/3.0=2, 4886/4.0=2...(4) HB2 GLU 81 - HD3 ARG 144 lone 8 89 - 9 - 4913/3.0=2, 4886/4.0=2 HB2 GLU 81 - HD2 ARG 144 lone 7 77 - 9 - 4913/3.0=2, 4886/4.0=2 HG3 ARG 140 - HD3 ARG 144 lone 3 85 - 3 - HG3 ARG 140 - HD2 ARG 144 lone 2 73 - 3 - HB3 ARG 109 - HD3 ARG 144 lone 2 92 - 2 - HG3 ARG 89 - HD3 ARG 144 lone 2 98 - 2 - HB3 ARG 109 - HD2 ARG 144 lone 2 80 - 2 - HG3 ARG 89 - HD2 ARG 144 lone 2 87 - 2 - HG LEU 66 - HD3 ARG 144 lone 2 96 - 2 - HD2 LYS 36 - HD3 ARG 55 lone 1 82 - 2 - HG LEU 66 - HD2 ARG 144 lone 1 85 - 2 - HB3 GLU 81 - HD3 ARG 55 lone 1 81 - 1 - HD2 LYS 36 - HD2 ARG 55 lone 1 55 - 2 - HB2 ARG 49 - HD3 ARG 55 lone 1 61 - 2 - HB2 GLU 81 - HD3 ARG 55 lone 1 67 - 1 - HB3 ARG 109 - HD3 ARG 55 lone 1 71 - 1 - HB3 GLU 81 - HD2 ARG 55 lone 1 54 - 1 - HB2 ARG 49 - HD2 ARG 55 lone 1 38 - 2 - HG LEU 66 - HD3 ARG 55 lone 1 76 - 1 - HG3 ARG 140 - HD3 ARG 55 lone 1 64 - 1 - HB2 GLU 81 - HD2 ARG 55 lone 1 43 - 1 - HB3 ARG 109 - HD2 ARG 55 lone 0 46 - 1 - HG3 ARG 89 - HD3 ARG 55 lone 0 78 - 0 - HG3 ARG 140 - HD2 ARG 55 lone 0 41 - 1 - HG LEU 66 - HD2 ARG 55 lone 0 50 - 1 - HG3 ARG 89 - HD2 ARG 55 lone 0 51 - 0 - Peak 4932 from cnoeabs.peaks (1.60, 3.19, 43.40 ppm; 2.59 A): 4 out of 52 assignments used, quality = 1.00: * HG2 ARG 144 + HD3 ARG 144 OK 92 100 - 92 - 3.0=67, 1.8/4916=14...(44) HG2 ARG 144 + HD2 ARG 144 OK 84 92 - 92 - 3.0=67, 1.8/4916=14...(44) HG3 ARG 144 + HD3 ARG 144 OK 61 68 - 90 - 3.0=67, 1.8/4907=12...(44) HG3 ARG 144 + HD2 ARG 144 OK 51 57 - 91 - 3.0=67, 1.8/4907=12...(46) HG2 ARG 144 - HD3 ARG 55 OK 23 83 - 28 - 4907=4, 4907/1.8=3...(13) HG2 ARG 141 - HD3 ARG 144 OK 21 99 - 21 - 4907=3, 4907/1.8=2...(6) HG2 ARG 141 - HD2 ARG 144 OK 19 89 - 22 - 4907=4, 4907/1.8=2...(6) HG2 ARG 144 - HD2 ARG 55 OK 18 55 - 33 - 4907=5, 1.8/4916=4...(18) HG3 LYS 48 - HD3 ARG 144 OK 16 100 - 16 - 4897/4.0=2, 4888/4.0=2...(5) HG3 LYS 36 - HD3 ARG 144 OK 15 89 - 17 - 4887/4.0=2, 4896/4.0=2, ~688=1 HG3 LYS 48 - HD2 ARG 144 OK 15 92 - 16 - 4897/4.0=2, 4888/4.0=2...(5) HG3 ARG 144 - HD3 ARG 55 OK 13 49 - 26 - 4916=3, 1.8/4907=3...(13) HG3 LYS 36 - HD2 ARG 144 OK 13 77 - 17 - 4887/4.0=2, 4896/4.0=2, ~688=1 HG3 ARG 49 - HD3 ARG 144 poor 10 77 - 13 - 4887/4.0=1 HG3 ARG 144 - HD2 ARG 55 poor 9 30 - 31 - 4916=3, 1.8/4907=3...(18) HG3 ARG 49 - HD2 ARG 144 poor 8 65 - 13 - 4887/4.0=1 HB2 LEU 79 - HD3 ARG 55 poor 8 73 - 10 - 2368/3.0=2, 2368/3.0=2 HG2 ARG 141 - HD3 ARG 55 lone 7 80 - 9 - 4907=1 HB2 LEU 79 - HD2 ARG 55 lone 5 48 - 10 - 2368/3.0=2, 2368/3.0=2 HG2 ARG 141 - HD2 ARG 55 lone 5 53 - 9 - 4907=1, 1.8/4811=1 HG LEU 108 - HD3 ARG 144 lone 4 98 - 4 - HB2 LEU 97 - HD3 ARG 144 lone 3 100 - 3 - HG LEU 108 - HD2 ARG 144 lone 3 87 - 4 - HB2 LEU 97 - HD2 ARG 144 lone 3 90 - 3 - HB2 LEU 87 - HD3 ARG 144 lone 3 72 - 4 - HB2 LEU 79 - HD3 ARG 144 lone 2 94 - 2 - HB2 LEU 87 - HD2 ARG 144 lone 2 61 - 4 - HB2 LEU 79 - HD2 ARG 144 lone 2 83 - 2 - HB3 LEU 64 - HD3 ARG 144 lone 1 68 - 2 - HB3 LEU 64 - HD2 ARG 144 lone 1 57 - 2 - HG3 LYS 48 - HD3 ARG 55 lone 1 82 - 1 - HG3 LYS 36 - HD3 ARG 55 lone 1 67 - 1 - HG3 LYS 48 - HD2 ARG 55 lone 1 55 - 1 - HD2 LYS 61 - HD3 ARG 144 lone 0 89 - 1 - HD3 LYS 61 - HD3 ARG 144 lone 0 89 - 1 - HG3 LYS 36 - HD2 ARG 55 lone 0 43 - 1 - HD2 LYS 61 - HD2 ARG 144 lone 0 77 - 1 - HD3 LYS 61 - HD2 ARG 144 lone 0 77 - 1 - HB2 LEU 87 - HD3 ARG 55 lone 0 53 - 1 - HB2 LEU 97 - HD3 ARG 55 lone 0 81 - 0 - HG3 ARG 49 - HD3 ARG 55 lone 0 57 - 1 - HG LEU 108 - HD3 ARG 55 lone 0 78 - 0 - HB2 LEU 97 - HD2 ARG 55 lone 0 54 - 0 - HB2 LEU 87 - HD2 ARG 55 lone 0 33 - 1 - HG3 ARG 49 - HD2 ARG 55 lone 0 36 - 1 - HG LEU 108 - HD2 ARG 55 lone 0 51 - 0 - HD2 LYS 61 - HD3 ARG 55 lone 0 67 - 0 - HD3 LYS 61 - HD3 ARG 55 lone 0 67 - 0 - HB3 LEU 64 - HD3 ARG 55 lone 0 49 - 0 - HD2 LYS 61 - HD2 ARG 55 lone 0 43 - 0 - HD3 LYS 61 - HD2 ARG 55 lone 0 43 - 0 - HB3 LEU 64 - HD2 ARG 55 lone 0 30 - 0 - Peak 4933 from cnoeabs.peaks (1.62, 3.19, 43.40 ppm; 2.65 A): 4 out of 44 assignments used, quality = 1.00: * HG3 ARG 144 + HD3 ARG 144 OK 93 100 - 93 - 3.0=72, 4916/1.8=15...(44) HG3 ARG 144 + HD2 ARG 144 OK 86 92 - 94 - 3.0=72, 4916/1.8=15...(46) HG2 ARG 144 + HD3 ARG 144 OK 63 68 - 93 - 3.0=72, 1.8/4916=15...(44) HG2 ARG 144 + HD2 ARG 144 OK 53 57 - 93 - 3.0=72, 1.8/4916=15...(44) HG3 ARG 144 - HD3 ARG 55 OK 25 83 - 31 - 4916=5, 4916/1.8=4...(14) HG3 ARG 144 - HD2 ARG 55 OK 19 55 - 35 - 4916=6, 4916/1.8=3...(18) HG2 ARG 141 - HD3 ARG 144 OK 16 85 - 19 - 4907=2, 4907/1.8=1...(9) HG3 ARG 49 - HD3 ARG 144 OK 15 100 - 15 - 1276/4.0=1, 4888/4.0=1, ~1270=1 HG2 ARG 141 - HD2 ARG 144 OK 14 73 - 19 - 4907=2, 4907/1.8=1...(9) HG3 ARG 49 - HD2 ARG 144 OK 13 91 - 15 - 1276/4.0=1, 4888/4.0=1, ~1270=1 HG2 ARG 144 - HD3 ARG 55 OK 13 49 - 27 - 1.8/4916=3, 3.0/4889=2...(13) HG3 LYS 48 - HD3 ARG 144 OK 10 62 - 16 - 2.9/4930=1, 2.9/4930=1...(5) HG2 ARG 144 - HD2 ARG 55 poor 10 30 - 32 - 1.8/4916=4, 3.0/4889=3...(18) HG3 LYS 48 - HD2 ARG 144 poor 8 52 - 16 - 2.9/4921=1, 2.9/4921=1...(5) HG2 ARG 141 - HD3 ARG 55 lone 5 64 - 8 - HB2 LEU 87 - HD3 ARG 144 lone 4 100 - 4 - HB2 LEU 87 - HD2 ARG 144 lone 4 92 - 4 - HG2 ARG 141 - HD2 ARG 55 lone 3 41 - 8 - 1.8/4811=1 HG LEU 108 - HD3 ARG 144 lone 3 89 - 4 - HG LEU 108 - HD2 ARG 144 lone 3 77 - 4 - HB3 LEU 64 - HD3 ARG 144 lone 3 100 - 3 - HB2 LEU 97 - HD3 ARG 144 lone 3 81 - 3 - HB3 LEU 64 - HD2 ARG 144 lone 2 92 - 3 - HB2 LEU 97 - HD2 ARG 144 lone 2 69 - 3 - HB2 LEU 87 - HD3 ARG 55 lone 1 82 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 1 82 - 1 - HB2 LEU 87 - HD2 ARG 55 lone 1 55 - 1 - HG3 LYS 34 - HD3 ARG 144 lone 1 77 - 1 - HG3 ARG 49 - HD2 ARG 55 lone 1 55 - 1 - HG3 LYS 34 - HD2 ARG 144 lone 0 65 - 1 - HD2 LYS 24 - HD3 ARG 144 lone 0 77 - 0 - HB3 LEU 64 - HD3 ARG 55 lone 0 83 - 0 - HG3 LYS 48 - HD3 ARG 55 lone 0 45 - 1 - HD2 LYS 24 - HD2 ARG 144 lone 0 65 - 0 - HB2 LEU 97 - HD3 ARG 55 lone 0 61 - 0 - HG LEU 108 - HD3 ARG 55 lone 0 67 - 0 - HB3 LEU 64 - HD2 ARG 55 lone 0 55 - 0 - HG3 LYS 48 - HD2 ARG 55 lone 0 28 - 1 - HG3 LYS 34 - HD3 ARG 55 lone 0 57 - 0 - HB2 LEU 97 - HD2 ARG 55 lone 0 38 - 0 - HG LEU 108 - HD2 ARG 55 lone 0 43 - 0 - HD2 LYS 24 - HD3 ARG 55 lone 0 57 - 0 - HG3 LYS 34 - HD2 ARG 55 lone 0 36 - 0 - HD2 LYS 24 - HD2 ARG 55 lone 0 36 - 0 - Peak 4934 from cnoeabs.peaks (3.18, 3.19, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 144 + HD3 ARG 144 OK 98 98 - 100 HD2 ARG 144 + HD2 ARG 144 OK 92 92 - 100 HD3 ARG 55 + HD3 ARG 55 OK 81 81 - 100 HD2 ARG 55 + HD2 ARG 55 OK 54 54 - 100 Reference assignment not found: HD2 ARG 144 - HD3 ARG 144 Peak 4935 from cnoeabs.peaks (3.19, 3.19, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 144 + HD3 ARG 144 OK 100 100 - 100 HD2 ARG 144 + HD2 ARG 144 OK 87 87 - 100 HD3 ARG 55 + HD3 ARG 55 OK 82 82 - 100 HD2 ARG 55 + HD2 ARG 55 OK 46 46 - 100 Peak 4937 from cnoeabs.peaks (8.01, 4.13, 57.32 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 145 + HA ARG 145 OK 100 100 - 100 - 3.0=100 H VAL 73 - HA ARG 145 OK 11 81 - 13 - 4953/3.0=3, 4945/3.0=2 H THR 51 - HA ARG 145 lone 4 96 - 4 - 4882/10516=1 H ALA 104 - HA ARG 145 lone 4 89 - 4 - H ARG 140 - HA ARG 145 lone 4 68 - 5 - Peak 4938 from cnoeabs.peaks (4.13, 4.13, 57.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 145 + HA ARG 145 OK 100 100 - 100 Peak 4939 from cnoeabs.peaks (1.67, 4.13, 57.32 ppm; 3.09 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 145 + HA ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 124 - HA ARG 145 OK 41 96 - 43 - 4955/3.0=6, 3.0/10523=5...(20) HB VAL 71 - HA ARG 145 OK 12 100 - 12 - 4955/3.0=2, 7895/3.0=1, ~9905=1 HG2 ARG 89 - HA ARG 145 lone 8 100 - 7 - 3.8/10387=2 HD2 LYS 48 - HA ARG 145 lone 7 100 - 7 - 7895/3.0=2 HD3 LYS 48 - HA ARG 145 lone 7 99 - 7 - 7895/3.0=2 HG3 ARG 141 - HA ARG 145 lone 6 68 - 9 - 3.0/10388=1, 3.0/10388=1...(4) HG13 ILE 136 - HA ARG 145 lone 5 62 - 8 - 3.7/10390=4 HG2 ARG 140 - HA ARG 145 lone 5 68 - 7 - 2.9/10523=1, 2.9/10388=1 HB2 LEU 95 - HA ARG 145 lone 4 100 - 4 - HB2 MET 68 - HA ARG 145 lone 2 94 - 3 - HD2 LYS 93 - HA ARG 145 lone 2 89 - 2 - HG LEU 97 - HA ARG 145 lone 1 62 - 2 - Peak 4940 from cnoeabs.peaks (1.79, 4.13, 57.32 ppm; 2.81 A): 1 out of 9 assignments used, quality = 0.94: * HB3 ARG 145 + HA ARG 145 OK 94 100 - 94 - 3.0=81, 1.8/4939=17...(32) HB2 ARG 124 - HA ARG 145 OK 25 85 - 30 - 4948/3.0=4, 3.0/4939=4...(11) HG2 PRO 57 - HA ARG 145 OK 15 92 - 16 - ~10586=4, 2.3/4939=2...(4) HG LEU 72 - HA ARG 145 lone 7 94 - 7 - 4948/3.0=1, 7896/3.0=1 HD2 LYS 34 - HA ARG 145 lone 7 100 - 7 - 4948/3.0=1 HD3 LYS 34 - HA ARG 145 lone 6 100 - 6 - HB3 LYS 24 - HA ARG 145 lone 5 96 - 5 - 11352/10175=2 HD3 LYS 86 - HA ARG 145 lone 3 89 - 3 - HB3 MET 59 - HA ARG 145 lone 1 68 - 1 - Peak 4941 from cnoeabs.peaks (1.57, 4.13, 57.32 ppm; 3.06 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 145 + HA ARG 145 OK 90 100 - 90 - 4.0=46, 2.9/4940=19...(35) HG3 ARG 145 + HA ARG 145 OK 90 100 - 90 - 4.0=46, 2.9/4940=19...(35) HG3 ARG 109 + HA ARG 145 OK 53 85 - 62 - 1.8/4970=7, 4949/3.0=4...(42) HG2 ARG 109 + HA ARG 145 OK 50 96 - 53 - 4970=8, 4950/3.0=5...(30) HG3 ARG 124 - HA ARG 145 OK 37 92 - 41 - 1.8/4939=7, 3.0/10523=5...(16) HD2 LYS 85 - HA ARG 145 lone 6 100 - 6 - HD3 LYS 85 - HA ARG 145 lone 6 96 - 6 - HB2 LEU 126 - HA ARG 145 lone 4 100 - 4 - HB2 LEU 66 - HA ARG 145 lone 3 100 - 3 - Peak 4942 from cnoeabs.peaks (1.57, 4.13, 57.32 ppm; 3.06 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 145 + HA ARG 145 OK 90 100 - 90 - 4.0=46, 2.9/4940=19...(35) HG2 ARG 145 + HA ARG 145 OK 90 100 - 90 - 4.0=46, 2.9/4940=19...(35) HG2 ARG 109 + HA ARG 145 OK 52 99 - 53 - 4970=8, 4950/3.0=5...(30) HG3 ARG 109 + HA ARG 145 OK 47 77 - 61 - 1.8/4970=7, 4949/3.0=4...(42) HG3 ARG 124 - HA ARG 145 OK 34 85 - 40 - 1.8/4939=7, 3.0/10523=5...(16) HD2 LYS 85 - HA ARG 145 lone 6 100 - 6 - HD3 LYS 85 - HA ARG 145 lone 5 92 - 6 - HB2 LEU 126 - HA ARG 145 lone 3 100 - 3 - HB2 LEU 66 - HA ARG 145 lone 3 99 - 3 - Peak 4943 from cnoeabs.peaks (3.12, 4.13, 57.32 ppm; 3.69 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 145 + HA ARG 145 OK 91 100 - 91 - 5.3=33, 3.4/4940=22...(35) HD3 ARG 145 + HA ARG 145 OK 91 100 - 91 - 5.3=33, 3.4/4940=22...(35) HD2 ARG 109 + HA ARG 145 OK 55 100 - 55 - 4978=9, 3.0/4970=7...(28) HB3 PHE 106 - HA ARG 145 OK 16 94 - 17 - ~10385=9, 4960/3.0=3, 4952/3.0=3 HB3 ASN 96 - HA ARG 145 lone 4 98 - 4 - ~9079=1 HA ALA 105 - HA ARG 145 lone 3 94 - 4 - HA LEU 79 - HA ARG 145 lone 3 92 - 3 - Peak 4944 from cnoeabs.peaks (3.12, 4.13, 57.32 ppm; 3.69 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 145 + HA ARG 145 OK 91 100 - 91 - 5.3=33, 3.4/4940=22...(35) HD2 ARG 145 + HA ARG 145 OK 91 100 - 91 - 5.3=33, 3.4/4940=22...(35) HD2 ARG 109 + HA ARG 145 OK 55 99 - 55 - 4978=9, 3.0/4970=7...(28) HB3 PHE 106 - HA ARG 145 OK 17 96 - 17 - ~10385=9, 4960/3.0=3, 4952/3.0=3 HB3 ASN 96 - HA ARG 145 lone 4 96 - 4 - ~9079=1 HA ALA 105 - HA ARG 145 lone 3 92 - 4 - HA LEU 79 - HA ARG 145 lone 3 94 - 3 - Peak 4945 from cnoeabs.peaks (8.01, 1.67, 31.16 ppm; 3.27 A): 2 out of 5 assignments used, quality = 0.89: * H ARG 145 + HB2 ARG 145 OK 88 100 - 88 - 4.0=53, 4953/1.8=22...(25) H VAL 73 + HB2 ARG 145 OK 11 81 - 14 - 4953/1.8=4, 4937/3.0=2 H ALA 104 - HB2 ARG 145 lone 5 89 - 5 - 4953/1.8=1 H THR 51 - HB2 ARG 145 lone 4 96 - 4 - 4953/1.8=1 H ARG 140 - HB2 ARG 145 lone 3 68 - 4 - Peak 4946 from cnoeabs.peaks (4.13, 1.67, 31.16 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.0=100 Peak 4947 from cnoeabs.peaks (1.67, 1.67, 31.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 145 + HB2 ARG 145 OK 100 100 - 100 Peak 4948 from cnoeabs.peaks (1.79, 1.67, 31.16 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 1.8=100 HB2 ARG 124 - HB2 ARG 145 OK 28 85 - 33 - 4208=6, 4940/3.0=3...(13) HG2 PRO 57 - HB2 ARG 145 OK 12 92 - 13 - 4940/3.0=2 HD2 LYS 34 - HB2 ARG 145 lone 6 100 - 6 - HG LEU 72 - HB2 ARG 145 lone 6 94 - 6 - HD3 LYS 34 - HB2 ARG 145 lone 6 100 - 6 - HB3 LYS 24 - HB2 ARG 145 lone 3 96 - 3 - HD3 LYS 86 - HB2 ARG 145 lone 3 89 - 3 - HB3 MET 59 - HB2 ARG 145 lone 1 68 - 1 - Peak 4949 from cnoeabs.peaks (1.57, 1.67, 31.16 ppm; 2.54 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 145 + HB2 ARG 145 OK 89 100 - 89 - 2.9=69, 4958/1.8=8...(34) HG3 ARG 145 + HB2 ARG 145 OK 89 100 - 89 - 2.9=69, 4957/1.8=8...(34) HG2 ARG 109 + HB2 ARG 145 OK 57 96 - 59 - 4971=6, 4957/1.8=5...(27) HG3 ARG 109 + HB2 ARG 145 OK 55 85 - 65 - 4957/1.8=4, 1.8/4971=4...(31) HG3 ARG 124 - HB2 ARG 145 OK 35 92 - 39 - 4235=6, 3.0/4948=3...(14) HD2 LYS 85 - HB2 ARG 145 lone 7 100 - 7 - HD3 LYS 85 - HB2 ARG 145 lone 7 96 - 7 - HB2 LEU 126 - HB2 ARG 145 lone 5 100 - 5 - HB2 LEU 66 - HB2 ARG 145 lone 3 100 - 3 - Peak 4950 from cnoeabs.peaks (1.57, 1.67, 31.16 ppm; 2.54 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 145 + HB2 ARG 145 OK 89 100 - 89 - 2.9=69, 4957/1.8=8...(34) HG2 ARG 145 + HB2 ARG 145 OK 89 100 - 89 - 2.9=69, 4958/1.8=8...(34) HG2 ARG 109 + HB2 ARG 145 OK 58 99 - 59 - 4971=6, 4957/1.8=5...(27) HG3 ARG 109 + HB2 ARG 145 OK 49 77 - 64 - 4957/1.8=5, 1.8/4971=4...(31) HG3 ARG 124 - HB2 ARG 145 OK 32 85 - 38 - 4235=5, 3.0/4948=3...(14) HD2 LYS 85 - HB2 ARG 145 lone 7 100 - 7 - HD3 LYS 85 - HB2 ARG 145 lone 6 92 - 7 - HB2 LEU 126 - HB2 ARG 145 lone 5 100 - 5 - HB2 LEU 66 - HB2 ARG 145 lone 3 99 - 3 - Peak 4951 from cnoeabs.peaks (3.12, 1.67, 31.16 ppm; 3.63 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD3 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB2 ARG 145 OK 74 100 - 75 - 4959/1.8=9, 3.0/4950=7...(38) HB3 PHE 106 - HB2 ARG 145 OK 30 94 - 32 - ~10385=12, 4960/1.8=4...(12) HB3 ASN 96 - HB2 ARG 145 lone 9 98 - 9 - 1.8/9079=2, 3.9/7125=1 HA LEU 79 - HB2 ARG 145 lone 4 92 - 4 - HA ALA 105 - HB2 ARG 145 lone 4 94 - 4 - Peak 4952 from cnoeabs.peaks (3.12, 1.67, 31.16 ppm; 3.63 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB2 ARG 145 OK 74 99 - 75 - 4959/1.8=9, 3.0/4950=7...(38) HB3 PHE 106 - HB2 ARG 145 OK 30 96 - 32 - ~10385=12, 4960/1.8=4...(12) HB3 ASN 96 - HB2 ARG 145 lone 9 96 - 9 - 1.8/9079=2, 3.9/7125=1 HA LEU 79 - HB2 ARG 145 lone 4 94 - 4 - HA ALA 105 - HB2 ARG 145 lone 4 92 - 4 - Peak 4953 from cnoeabs.peaks (8.01, 1.79, 31.16 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.96: * H ARG 145 + HB3 ARG 145 OK 96 100 - 96 - 4.0=75, 4945/1.8=33...(24) H VAL 73 - HB3 ARG 145 OK 18 81 - 22 - 4945/1.8=4, 6761=3...(10) H ALA 104 - HB3 ARG 145 lone 6 89 - 7 - 4945/1.8=2 H THR 51 - HB3 ARG 145 lone 5 96 - 5 - 4945/1.8=2, 4937/3.0=1 H ARG 140 - HB3 ARG 145 lone 4 68 - 6 - 4945/1.8=1 Peak 4954 from cnoeabs.peaks (4.13, 1.79, 31.16 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.0=100 Peak 4955 from cnoeabs.peaks (1.67, 1.79, 31.16 ppm; 2.50 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 1.8=100 HG2 ARG 124 - HB3 ARG 145 OK 36 96 - 38 - 4224=4, 4939/3.0=3...(16) HB VAL 71 - HB3 ARG 145 OK 11 100 - 11 - 2.1/9901=1 HB2 LEU 95 - HB3 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HB3 ARG 145 lone 4 100 - 4 - HD2 LYS 48 - HB3 ARG 145 lone 3 100 - 3 - HD3 LYS 48 - HB3 ARG 145 lone 3 99 - 3 - HB2 MET 68 - HB3 ARG 145 lone 2 94 - 2 - HG13 ILE 136 - HB3 ARG 145 lone 2 62 - 3 - HG3 ARG 141 - HB3 ARG 145 lone 2 68 - 3 - HG2 ARG 140 - HB3 ARG 145 lone 2 68 - 3 - HD2 LYS 93 - HB3 ARG 145 lone 2 89 - 2 - HG LEU 97 - HB3 ARG 145 lone 1 62 - 1 - Peak 4956 from cnoeabs.peaks (1.79, 1.79, 31.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 145 + HB3 ARG 145 OK 100 100 - 100 Peak 4957 from cnoeabs.peaks (1.57, 1.79, 31.16 ppm; 2.77 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 145 + HB3 ARG 145 OK 97 100 - 97 - 2.9=89, 4.0/4940=10...(38) HG3 ARG 145 + HB3 ARG 145 OK 97 100 - 97 - 2.9=89, 4.0/4940=10...(38) HG2 ARG 109 + HB3 ARG 145 OK 65 96 - 67 - 4964=8, 4950/1.8=6...(35) HG3 ARG 109 + HB3 ARG 145 OK 62 85 - 73 - 4949/1.8=6, 1.8/4964=5...(40) HG3 ARG 124 - HB3 ARG 145 OK 40 92 - 44 - 1.8/4955=7, 4235/1.8=4...(20) HD2 LYS 85 - HB3 ARG 145 lone 9 100 - 8 - HD3 LYS 85 - HB3 ARG 145 lone 9 96 - 9 - HB2 LEU 126 - HB3 ARG 145 lone 6 100 - 6 - HB2 LEU 66 - HB3 ARG 145 lone 5 100 - 5 - Peak 4958 from cnoeabs.peaks (1.57, 1.79, 31.16 ppm; 2.77 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 145 + HB3 ARG 145 OK 97 100 - 97 - 2.9=89, 4.0/4940=10...(38) HG2 ARG 145 + HB3 ARG 145 OK 97 100 - 97 - 2.9=89, 4.0/4940=10...(38) HG2 ARG 109 + HB3 ARG 145 OK 67 99 - 67 - 4972=8, 4949/1.8=6...(35) HG3 ARG 109 + HB3 ARG 145 OK 55 77 - 72 - 4949/1.8=6, 1.8/4964=5...(39) HG3 ARG 124 - HB3 ARG 145 OK 37 85 - 43 - 1.8/4955=7, 4235/1.8=4...(19) HD2 LYS 85 - HB3 ARG 145 lone 9 100 - 8 - HD3 LYS 85 - HB3 ARG 145 lone 8 92 - 8 - HB2 LEU 126 - HB3 ARG 145 lone 6 100 - 6 - HB2 LEU 66 - HB3 ARG 145 lone 5 99 - 5 - Peak 4959 from cnoeabs.peaks (3.12, 1.79, 31.16 ppm; 3.52 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD3 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB3 ARG 145 OK 72 100 - 73 - 4980=9, 4951/1.8=8...(37) HB3 PHE 106 - HB3 ARG 145 OK 30 94 - 32 - 2.5/10385=14, 4952/1.8=3...(11) HB3 ASN 96 - HB3 ARG 145 lone 7 98 - 7 - ~9079=1, 4952/1.8=1 HA ALA 105 - HB3 ARG 145 lone 4 94 - 4 - HA LEU 79 - HB3 ARG 145 lone 3 92 - 3 - Peak 4960 from cnoeabs.peaks (3.12, 1.79, 31.16 ppm; 3.52 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB3 ARG 145 OK 72 99 - 73 - 4980=9, 4951/1.8=8...(37) HB3 PHE 106 - HB3 ARG 145 OK 31 96 - 32 - 2.5/10385=14, 4952/1.8=3...(11) HB3 ASN 96 - HB3 ARG 145 lone 7 96 - 7 - ~9079=1, 4951/1.8=1 HA ALA 105 - HB3 ARG 145 lone 4 92 - 4 - HA LEU 79 - HB3 ARG 145 lone 3 94 - 4 - Peak 4961 from cnoeabs.peaks (8.01, 1.57, 27.07 ppm; 3.38 A): 2 out of 15 assignments used, quality = 0.98: * H ARG 145 + HG2 ARG 145 OK 88 100 - 88 - 4.9=33, 4945/2.9=22...(26) H ARG 145 + HG3 ARG 145 OK 87 99 - 88 - 4.9=33, 4945/2.9=22...(26) H ARG 145 - HG2 ARG 109 OK 36 76 - 47 - 7898=7, 3.0/4970=6...(19) H VAL 73 - HG2 ARG 145 poor 9 81 - 11 - 4953/2.9=3, 4945/2.9=3 H VAL 73 - HG3 ARG 145 poor 8 80 - 11 - 4953/2.9=3, 4945/2.9=3 H ALA 104 - HG2 ARG 145 lone 4 89 - 5 - 4953/2.9=1, 4945/2.9=1 H ALA 104 - HG3 ARG 145 lone 4 87 - 5 - 4953/2.9=1, 4945/2.9=1 H THR 51 - HG2 ARG 145 lone 4 96 - 4 - 4945/2.9=1 H THR 51 - HG3 ARG 145 lone 4 95 - 4 - 4945/2.9=1 H ALA 104 - HG2 ARG 109 lone 3 62 - 5 - ~9198=1, ~9198=1 H ARG 140 - HG2 ARG 145 lone 3 68 - 4 - H ARG 140 - HG3 ARG 145 lone 3 66 - 4 - H THR 51 - HG2 ARG 109 lone 2 70 - 3 - 8222/2.8=2 H VAL 73 - HG2 ARG 109 lone 1 55 - 3 - H ARG 140 - HG2 ARG 109 lone 1 44 - 1 - Peak 4962 from cnoeabs.peaks (4.13, 1.57, 27.07 ppm; 3.37 A): 3 out of 3 assignments used, quality = 1.00: * HA ARG 145 + HG2 ARG 145 OK 95 100 - 95 - 4.0=61, 4940/2.9=23...(35) HA ARG 145 + HG3 ARG 145 OK 95 99 - 95 - 4.0=61, 4940/2.9=23...(35) HA ARG 145 + HG2 ARG 109 OK 47 76 - 62 - 4942=8, 4941/1.8=6...(33) Peak 4963 from cnoeabs.peaks (1.67, 1.57, 27.07 ppm; 2.50 A): 3 out of 39 assignments used, quality = 0.99: * HB2 ARG 145 + HG2 ARG 145 OK 88 100 - 88 - 2.9=65, 4950/1.8=8...(38) HB2 ARG 145 + HG3 ARG 145 OK 87 99 - 88 - 2.9=65, 4950/1.8=8...(38) HB2 ARG 145 + HG2 ARG 109 OK 45 76 - 60 - 4950=8, 1.8/4957=5...(25) HG2 ARG 124 - HG2 ARG 145 OK 36 96 - 38 - 4227=5, 4955/2.9=4...(13) HG2 ARG 124 - HG3 ARG 145 OK 35 95 - 38 - 4227=4, 4955/2.9=4...(12) HG2 ARG 124 - HG2 ARG 109 OK 28 70 - 40 - 4227/1.8=5, 4227=3...(19) HG2 ARG 89 - HG2 ARG 109 OK 11 75 - 14 - 2879/2.8=2, ~3561=1...(4) HB VAL 71 - HG2 ARG 145 lone 9 100 - 9 - 4955/2.9=1, ~8505=1 HB VAL 71 - HG3 ARG 145 lone 8 99 - 9 - 4955/2.9=1, ~8505=1 HG13 ILE 136 - HG2 ARG 109 poor 6 40 - 15 - ~9668=2, ~10333=2...(8) HB2 LEU 95 - HG2 ARG 145 lone 4 100 - 4 - HB2 LEU 95 - HG3 ARG 145 lone 4 99 - 4 - HG2 ARG 89 - HG2 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HG3 ARG 145 lone 4 99 - 3 - HD2 LYS 48 - HG2 ARG 145 lone 3 100 - 3 - HD2 LYS 48 - HG3 ARG 145 lone 3 99 - 3 - HD3 LYS 48 - HG2 ARG 145 lone 3 99 - 3 - HD3 LYS 48 - HG3 ARG 145 lone 3 98 - 3 - HG13 ILE 136 - HG2 ARG 145 lone 2 62 - 3 - HB2 LEU 95 - HG2 ARG 109 lone 2 75 - 2 - HD2 LYS 93 - HG2 ARG 145 lone 2 89 - 2 - HD2 LYS 93 - HG3 ARG 145 lone 2 87 - 2 - HG13 ILE 136 - HG3 ARG 145 lone 2 61 - 3 - HB2 MET 68 - HG2 ARG 145 lone 1 94 - 1 - HB2 MET 68 - HG3 ARG 145 lone 1 93 - 1 - HG3 ARG 141 - HG2 ARG 145 lone 1 68 - 2 - HG LEU 97 - HG2 ARG 109 lone 1 40 - 3 - ~9126=1 HG3 ARG 141 - HG3 ARG 145 lone 1 66 - 2 - HG2 ARG 140 - HG2 ARG 145 lone 1 68 - 2 - HG2 ARG 140 - HG3 ARG 145 lone 1 66 - 2 - HD2 LYS 93 - HG2 ARG 109 lone 1 62 - 2 - HD2 LYS 48 - HG2 ARG 109 lone 1 75 - 1 - HD3 LYS 48 - HG2 ARG 109 lone 1 73 - 1 - HB VAL 71 - HG2 ARG 109 lone 1 75 - 1 - HG LEU 97 - HG2 ARG 145 lone 1 62 - 1 - HG LEU 97 - HG3 ARG 145 lone 1 61 - 1 - HB2 MET 68 - HG2 ARG 109 lone 0 67 - 1 - HG2 ARG 140 - HG2 ARG 109 lone 0 44 - 1 - HG3 ARG 141 - HG2 ARG 109 lone 0 44 - 1 - Peak 4964 from cnoeabs.peaks (1.79, 1.57, 27.07 ppm; 2.77 A): 3 out of 27 assignments used, quality = 1.00: * HB3 ARG 145 + HG2 ARG 145 OK 97 100 - 97 - 2.9=89, 4940/4.0=10...(38) HB3 ARG 145 + HG3 ARG 145 OK 97 99 - 97 - 2.9=89, 4940/4.0=10...(38) HB3 ARG 145 + HG2 ARG 109 OK 53 76 - 69 - 4958=9, 1.8/4949=6...(37) HB2 ARG 124 - HG2 ARG 145 OK 33 85 - 39 - 4948/2.9=4, 4209=4...(18) HB2 ARG 124 - HG3 ARG 145 OK 32 83 - 38 - 4948/2.9=4, 4209=3...(18) HB2 ARG 124 - HG2 ARG 109 OK 22 58 - 38 - 4209/1.8=4, 4209=3...(21) HG2 PRO 57 - HG2 ARG 145 OK 11 92 - 12 - 4948/2.9=2, 4940/4.0=1 HG2 PRO 57 - HG3 ARG 145 OK 11 90 - 12 - 4948/2.9=2, 4940/4.0=1 HD3 LYS 86 - HG2 ARG 109 poor 7 62 - 11 - 2740/2.8=1 HD2 LYS 34 - HG2 ARG 145 lone 6 100 - 6 - 4948/2.9=1 HD2 LYS 34 - HG3 ARG 145 lone 6 99 - 6 - 4948/2.9=1 HD3 LYS 34 - HG2 ARG 145 lone 6 100 - 6 - HD3 LYS 34 - HG3 ARG 145 lone 6 99 - 6 - HG LEU 72 - HG2 ARG 145 lone 5 94 - 6 - 4948/2.9=1 HG LEU 72 - HG3 ARG 145 lone 5 93 - 6 - 4948/2.9=1 HB3 LYS 24 - HG2 ARG 145 lone 3 96 - 3 - HD3 LYS 86 - HG2 ARG 145 lone 3 89 - 3 - HB3 LYS 24 - HG3 ARG 145 lone 3 95 - 3 - HD3 LYS 86 - HG3 ARG 145 lone 3 87 - 3 - HB3 LYS 24 - HG2 ARG 109 lone 3 70 - 4 - 11342/4.3=2 HG LEU 72 - HG2 ARG 109 lone 2 67 - 4 - ~9275=1 HG2 PRO 57 - HG2 ARG 109 lone 1 65 - 2 - HD2 LYS 34 - HG2 ARG 109 lone 1 76 - 1 - HD3 LYS 34 - HG2 ARG 109 lone 1 76 - 1 - HB3 MET 59 - HG2 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HG3 ARG 145 lone 1 66 - 1 - HB3 MET 59 - HG2 ARG 109 lone 0 44 - 0 - Peak 4965 from cnoeabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 HG3 ARG 145 + HG3 ARG 145 OK 99 99 - 100 HG2 ARG 109 + HG2 ARG 109 OK 70 70 - 100 Peak 4966 from cnoeabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 HG3 ARG 145 + HG3 ARG 145 OK 99 99 - 100 HG2 ARG 109 + HG2 ARG 109 OK 73 73 - 100 Reference assignment not found: HG3 ARG 145 - HG2 ARG 145 Peak 4967 from cnoeabs.peaks (3.12, 1.57, 27.07 ppm; 3.14 A): 9 out of 21 assignments used, quality = 1.00: * HD2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 145 OK 99 99 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 99 99 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 75 75 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 145 OK 63 100 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG3 ARG 145 OK 62 99 - 63 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 145 + HG2 ARG 109 OK 58 76 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HD3 ARG 145 + HG2 ARG 109 OK 58 76 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HB3 PHE 106 - HG2 ARG 109 OK 29 67 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG2 ARG 145 OK 25 94 - 27 - ~10385=6, 2.5/10520=3...(12) HB3 PHE 106 - HG3 ARG 145 OK 25 93 - 27 - ~10385=6, 2.5/10520=3...(12) HA ALA 105 - HG2 ARG 109 OK 12 67 - 18 - 10202/3.0=4, 10205/4.3=4...(8) HA LEU 79 - HG2 ARG 109 OK 11 65 - 17 - 2364/2.8=3, 3582/3.0=2...(6) HB3 ASN 96 - HG2 ARG 145 lone 6 98 - 6 - HB3 ASN 96 - HG3 ARG 145 lone 5 96 - 6 - HA ALA 105 - HG2 ARG 145 lone 4 94 - 4 - HA ALA 105 - HG3 ARG 145 lone 4 93 - 4 - HA LEU 79 - HG2 ARG 145 lone 3 92 - 3 - HA LEU 79 - HG3 ARG 145 lone 3 90 - 3 - HB3 ASN 96 - HG2 ARG 109 lone 3 72 - 4 - Peak 4968 from cnoeabs.peaks (3.12, 1.57, 27.07 ppm; 3.14 A): 9 out of 21 assignments used, quality = 1.00: * HD3 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 99 99 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 145 OK 99 99 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 73 73 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG3 ARG 145 OK 62 98 - 63 - 3.0/3562=6, 4959/2.9=5...(37) HD3 ARG 145 + HG2 ARG 109 OK 58 76 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HD2 ARG 145 + HG2 ARG 109 OK 58 76 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HB3 PHE 106 - HG2 ARG 109 OK 30 70 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG2 ARG 145 OK 26 96 - 27 - ~10385=6, 2.5/10520=3...(12) HB3 PHE 106 - HG3 ARG 145 OK 26 95 - 27 - ~10385=6, 2.5/10520=3...(12) HA ALA 105 - HG2 ARG 109 OK 12 65 - 18 - 10202/3.0=4, 10205/4.3=3...(8) HA LEU 79 - HG2 ARG 109 OK 11 67 - 17 - 2364/2.8=3, 3582/3.0=2...(6) HB3 ASN 96 - HG2 ARG 145 lone 5 96 - 6 - HB3 ASN 96 - HG3 ARG 145 lone 5 95 - 6 - HA ALA 105 - HG2 ARG 145 lone 4 92 - 4 - HA ALA 105 - HG3 ARG 145 lone 3 90 - 4 - HA LEU 79 - HG2 ARG 145 lone 3 94 - 3 - HA LEU 79 - HG3 ARG 145 lone 3 93 - 3 - HB3 ASN 96 - HG2 ARG 109 lone 3 70 - 4 - Peak 4969 from cnoeabs.peaks (8.01, 1.57, 27.07 ppm; 3.38 A): 2 out of 15 assignments used, quality = 0.98: * H ARG 145 + HG3 ARG 145 OK 88 100 - 88 - 4.9=33, 4945/2.9=22...(26) H ARG 145 + HG2 ARG 145 OK 87 99 - 88 - 4.9=33, 4945/2.9=22...(26) H ARG 145 - HG2 ARG 109 OK 41 86 - 47 - 7898=7, 3.0/4970=6...(19) H VAL 73 - HG3 ARG 145 poor 9 81 - 11 - 4953/2.9=3, 4945/2.9=3 H VAL 73 - HG2 ARG 145 poor 8 80 - 11 - 4953/2.9=3, 4945/2.9=3 H ALA 104 - HG3 ARG 145 lone 4 89 - 5 - 4953/2.9=1, 4945/2.9=1 H ALA 104 - HG2 ARG 145 lone 4 87 - 5 - 4953/2.9=1, 4945/2.9=1 H THR 51 - HG3 ARG 145 lone 4 96 - 4 - 4945/2.9=1 H THR 51 - HG2 ARG 145 lone 4 95 - 4 - 4945/2.9=1 H ALA 104 - HG2 ARG 109 lone 3 71 - 5 - ~9198=1, ~9198=1 H THR 51 - HG2 ARG 109 lone 3 79 - 3 - 8222/2.8=2 H ARG 140 - HG3 ARG 145 lone 3 68 - 4 - H ARG 140 - HG2 ARG 145 lone 3 66 - 4 - H VAL 73 - HG2 ARG 109 lone 2 64 - 3 - H ARG 140 - HG2 ARG 109 lone 1 51 - 2 - Peak 4970 from cnoeabs.peaks (4.13, 1.57, 27.07 ppm; 3.37 A): 3 out of 3 assignments used, quality = 1.00: * HA ARG 145 + HG3 ARG 145 OK 95 100 - 95 - 4.0=61, 4940/2.9=23...(35) HA ARG 145 + HG2 ARG 145 OK 95 99 - 95 - 4.0=61, 4940/2.9=23...(35) HA ARG 145 + HG2 ARG 109 OK 53 86 - 62 - 4942=8, 4941/1.8=6...(33) Peak 4971 from cnoeabs.peaks (1.67, 1.57, 27.07 ppm; 2.50 A): 3 out of 39 assignments used, quality = 0.99: * HB2 ARG 145 + HG3 ARG 145 OK 88 100 - 88 - 2.9=65, 4950/1.8=8...(38) HB2 ARG 145 + HG2 ARG 145 OK 87 99 - 88 - 2.9=65, 4949/1.8=8...(38) HB2 ARG 145 + HG2 ARG 109 OK 51 86 - 60 - 4950=8, 1.8/4957=5...(27) HG2 ARG 124 - HG3 ARG 145 OK 35 96 - 37 - 4955/2.9=4, 4227=4...(12) HG2 ARG 124 - HG2 ARG 145 OK 35 95 - 37 - 4955/2.9=4, 4227=4...(13) HG2 ARG 124 - HG2 ARG 109 OK 32 79 - 40 - 4227/1.8=5, 4228/3.0=3...(17) HG2 ARG 89 - HG2 ARG 109 OK 12 84 - 14 - 2879/2.8=2, ~3561=1...(5) HB VAL 71 - HG3 ARG 145 lone 8 100 - 9 - 4955/2.9=1, ~8505=1 HB VAL 71 - HG2 ARG 145 lone 8 99 - 9 - 4955/2.9=1, ~8505=1 HG13 ILE 136 - HG2 ARG 109 poor 7 47 - 15 - ~9668=2, ~10333=2...(8) HB2 LEU 95 - HG3 ARG 145 lone 4 100 - 4 - HB2 LEU 95 - HG2 ARG 145 lone 4 99 - 4 - HG2 ARG 89 - HG2 ARG 145 lone 4 99 - 4 - HG2 ARG 89 - HG3 ARG 145 lone 4 100 - 3 - HD2 LYS 48 - HG3 ARG 145 lone 3 100 - 3 - HD2 LYS 48 - HG2 ARG 145 lone 3 99 - 3 - HD3 LYS 48 - HG3 ARG 145 lone 3 99 - 3 - HD3 LYS 48 - HG2 ARG 145 lone 3 98 - 3 - HB2 LEU 95 - HG2 ARG 109 lone 2 84 - 2 - HD2 LYS 93 - HG3 ARG 145 lone 2 89 - 2 - HG13 ILE 136 - HG3 ARG 145 lone 2 62 - 3 - HD2 LYS 93 - HG2 ARG 145 lone 2 87 - 2 - HG13 ILE 136 - HG2 ARG 145 lone 2 61 - 3 - HB2 MET 68 - HG3 ARG 145 lone 1 94 - 1 - HB2 MET 68 - HG2 ARG 145 lone 1 93 - 1 - HG LEU 97 - HG2 ARG 109 lone 1 47 - 3 - ~9126=1 HD2 LYS 93 - HG2 ARG 109 lone 1 71 - 2 - HG3 ARG 141 - HG3 ARG 145 lone 1 68 - 2 - HG3 ARG 141 - HG2 ARG 145 lone 1 66 - 2 - HG2 ARG 140 - HG3 ARG 145 lone 1 68 - 2 - HG2 ARG 140 - HG2 ARG 145 lone 1 66 - 2 - HD3 LYS 48 - HG2 ARG 109 lone 1 83 - 1 - HD2 LYS 48 - HG2 ARG 109 lone 1 84 - 1 - HB VAL 71 - HG2 ARG 109 lone 1 84 - 1 - HG LEU 97 - HG3 ARG 145 lone 1 62 - 1 - HG LEU 97 - HG2 ARG 145 lone 1 61 - 1 - HB2 MET 68 - HG2 ARG 109 lone 0 77 - 1 - HG2 ARG 140 - HG2 ARG 109 lone 0 51 - 1 - HG3 ARG 141 - HG2 ARG 109 lone 0 51 - 1 - Peak 4972 from cnoeabs.peaks (1.79, 1.57, 27.07 ppm; 2.77 A): 3 out of 27 assignments used, quality = 1.00: * HB3 ARG 145 + HG3 ARG 145 OK 97 100 - 97 - 2.9=89, 4940/4.0=10...(38) HB3 ARG 145 + HG2 ARG 145 OK 97 99 - 97 - 2.9=89, 4940/4.0=10...(38) HB3 ARG 145 + HG2 ARG 109 OK 59 86 - 69 - 4958=9, 1.8/4949=6...(37) HB2 ARG 124 - HG3 ARG 145 OK 32 85 - 38 - 4948/2.9=4, 4209=3...(16) HB2 ARG 124 - HG2 ARG 145 OK 31 83 - 38 - 4948/2.9=4, 4209=3...(18) HB2 ARG 124 - HG2 ARG 109 OK 26 67 - 38 - 4209/1.8=4, ~4218=2...(21) HG2 PRO 57 - HG3 ARG 145 OK 11 92 - 12 - 4948/2.9=2, 4940/4.0=1 HG2 PRO 57 - HG2 ARG 145 OK 11 90 - 12 - 4948/2.9=2, 4940/4.0=1 HD3 LYS 86 - HG2 ARG 109 poor 8 71 - 11 - 2740/2.8=1 HD2 LYS 34 - HG3 ARG 145 lone 6 100 - 6 - 4948/2.9=1 HD2 LYS 34 - HG2 ARG 145 lone 6 99 - 6 - 4948/2.9=1 HD3 LYS 34 - HG3 ARG 145 lone 6 100 - 6 - HD3 LYS 34 - HG2 ARG 145 lone 6 99 - 6 - HG LEU 72 - HG3 ARG 145 lone 5 94 - 6 - 4948/2.9=1 HG LEU 72 - HG2 ARG 145 lone 5 93 - 6 - 4948/2.9=1 HB3 LYS 24 - HG3 ARG 145 lone 3 96 - 3 - HB3 LYS 24 - HG2 ARG 109 lone 3 79 - 4 - 11342/4.3=2 HD3 LYS 86 - HG3 ARG 145 lone 3 89 - 3 - HB3 LYS 24 - HG2 ARG 145 lone 3 95 - 3 - HD3 LYS 86 - HG2 ARG 145 lone 3 87 - 3 - HG LEU 72 - HG2 ARG 109 lone 3 77 - 4 - ~9275=1 HG2 PRO 57 - HG2 ARG 109 lone 1 74 - 2 - HD2 LYS 34 - HG2 ARG 109 lone 1 86 - 1 - HD3 LYS 34 - HG2 ARG 109 lone 1 86 - 1 - HB3 MET 59 - HG3 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HG2 ARG 145 lone 1 66 - 1 - HB3 MET 59 - HG2 ARG 109 lone 0 51 - 0 - Peak 4973 from cnoeabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 HG2 ARG 145 + HG2 ARG 145 OK 99 99 - 100 HG2 ARG 109 + HG2 ARG 109 OK 79 79 - 100 Reference assignment not found: HG2 ARG 145 - HG3 ARG 145 Peak 4974 from cnoeabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 HG2 ARG 145 + HG2 ARG 145 OK 99 99 - 100 HG2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 Peak 4975 from cnoeabs.peaks (3.12, 1.57, 27.07 ppm; 3.14 A): 9 out of 21 assignments used, quality = 1.00: * HD2 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 145 OK 99 99 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 145 OK 99 99 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 84 84 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 109 OK 66 86 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HD3 ARG 145 + HG2 ARG 109 OK 65 86 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HD2 ARG 109 + HG3 ARG 145 OK 63 100 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG2 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HB3 PHE 106 - HG2 ARG 109 OK 33 77 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG3 ARG 145 OK 26 94 - 27 - ~10385=6, 2.5/10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 25 93 - 27 - ~10385=6, 2.5/10520=3...(12) HA LEU 79 - HG2 ARG 109 OK 16 74 - 22 - 2364/2.8=3, 3582/3.0=2...(9) HA ALA 105 - HG2 ARG 109 OK 14 77 - 18 - 10202/3.0=4, 10205/4.3=4...(8) HB3 ASN 96 - HG3 ARG 145 lone 6 98 - 6 - HB3 ASN 96 - HG2 ARG 145 lone 6 96 - 6 - HA ALA 105 - HG3 ARG 145 lone 4 94 - 4 - HA ALA 105 - HG2 ARG 145 lone 4 93 - 4 - HB3 ASN 96 - HG2 ARG 109 lone 3 81 - 4 - HA LEU 79 - HG3 ARG 145 lone 3 92 - 3 - HA LEU 79 - HG2 ARG 145 lone 3 90 - 3 - Peak 4976 from cnoeabs.peaks (3.12, 1.57, 27.07 ppm; 3.14 A): 9 out of 21 assignments used, quality = 1.00: * HD3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 145 OK 99 99 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 145 OK 99 99 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 109 OK 65 86 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HD2 ARG 145 + HG2 ARG 109 OK 65 86 - 76 - 3582/3.0=5, 3546/2.8=5...(71) HD2 ARG 109 + HG3 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG2 ARG 145 OK 62 98 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HB3 PHE 106 - HG2 ARG 109 OK 34 79 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG3 ARG 145 OK 26 96 - 27 - ~10385=6, 2.5/10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 26 95 - 27 - ~10385=6, 2.5/10520=3...(12) HA LEU 79 - HG2 ARG 109 OK 17 77 - 22 - 2364/2.8=3, 3582/3.0=2...(9) HA ALA 105 - HG2 ARG 109 OK 13 74 - 18 - 10202/3.0=4, 10205/4.3=3...(8) HB3 ASN 96 - HG3 ARG 145 lone 5 96 - 6 - HB3 ASN 96 - HG2 ARG 145 lone 5 95 - 6 - HA ALA 105 - HG3 ARG 145 lone 4 92 - 4 - HA ALA 105 - HG2 ARG 145 lone 3 90 - 4 - HA LEU 79 - HG3 ARG 145 lone 3 94 - 3 - HA LEU 79 - HG2 ARG 145 lone 3 93 - 3 - HB3 ASN 96 - HG2 ARG 109 lone 3 79 - 4 - Peak 4977 from cnoeabs.peaks (8.01, 3.12, 43.40 ppm; 5.84 A): 3 out of 15 assignments used, quality = 1.00: * H ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 6.0=94, 4945/3.4=39...(26) H ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 6.0=94, 4945/3.4=39...(26) H ARG 145 + HD2 ARG 109 OK 59 81 - 73 - 3.0/4978=11, 4.0/4951=10...(17) H VAL 73 - HD2 ARG 145 OK 23 81 - 28 - 4953/3.4=7, 4945/3.4=5...(8) H VAL 73 - HD3 ARG 145 OK 22 81 - 28 - 4953/3.4=7, 4945/3.4=5...(8) H THR 51 - HD2 ARG 145 OK 17 96 - 17 - 3.6/11646=4, 3.6/10742=4...(5) H THR 51 - HD3 ARG 145 OK 17 96 - 17 - 3.6/11646=4, 3.6/10742=4...(5) H ALA 104 - HD3 ARG 145 OK 16 88 - 18 - 4953/3.4=2, 4945/3.4=2...(8) H ALA 104 - HD2 ARG 145 OK 16 89 - 18 - 4953/3.4=2, 4945/3.4=2...(8) H ALA 104 - HD2 ARG 109 OK 12 66 - 19 - 4.6/7228=5, 2.8/11127=2...(6) H VAL 73 - HD2 ARG 109 OK 11 59 - 18 - 4.0/8570=9, 8579/2390=2 H THR 51 - HD2 ARG 109 poor 9 74 - 13 - 8222/3.6=4, 3.6/11646=1 H ARG 140 - HD2 ARG 145 poor 9 68 - 12 - 2.9/11646=2, 4953/3.4=1...(5) H ARG 140 - HD3 ARG 145 poor 9 67 - 12 - 2.9/11646=2, 4953/3.4=1...(5) H ARG 140 - HD2 ARG 109 lone 3 48 - 6 - 10457/10335=1 Peak 4978 from cnoeabs.peaks (4.13, 3.12, 43.40 ppm; 3.90 A): 3 out of 3 assignments used, quality = 1.00: * HA ARG 145 + HD2 ARG 145 OK 94 100 - 94 - 5.3=39, 4940/3.4=25...(35) HA ARG 145 + HD3 ARG 145 OK 94 100 - 94 - 5.3=39, 4940/3.4=25...(35) HA ARG 145 + HD2 ARG 109 OK 49 81 - 60 - 4943=10, 4970/3.0=7...(28) Peak 4979 from cnoeabs.peaks (1.67, 3.12, 43.40 ppm; 3.50 A): 5 out of 39 assignments used, quality = 1.00: * HB2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD2 ARG 109 OK 59 81 - 73 - 4951=10, 1.8/4959=8...(37) HG2 ARG 124 + HD2 ARG 145 OK 49 96 - 52 - 4955/3.4=6, 4227/3.0=4...(31) HG2 ARG 124 + HD3 ARG 145 OK 49 96 - 52 - 4955/3.4=6, 4227/3.0=4...(32) HG2 ARG 124 - HD2 ARG 109 OK 44 74 - 60 - 4228/1.8=9, ~4237=7...(27) HB VAL 71 - HD2 ARG 145 OK 19 100 - 19 - ~8505=3, ~8505=2...(7) HB VAL 71 - HD3 ARG 145 OK 19 99 - 19 - ~8505=3, ~8505=2...(7) HG13 ILE 136 - HD2 ARG 109 OK 17 44 - 39 - ~9668=8, ~10333=7...(8) HB2 LEU 95 - HD3 ARG 145 OK 14 99 - 14 - 3.0/11646=2, ~11646=2...(4) HB2 LEU 95 - HD2 ARG 145 OK 14 100 - 14 - 3.0/11646=2, ~11646=2...(4) HG2 ARG 89 - HD2 ARG 109 OK 12 79 - 15 - 2879/3.6=3, ~3579=2...(7) HG2 ARG 89 - HD2 ARG 145 lone 7 100 - 7 - HG2 ARG 89 - HD3 ARG 145 lone 7 99 - 7 - HB2 LEU 95 - HD2 ARG 109 lone 7 79 - 8 - 3.0/11646=1, ~9275=1 HD2 LYS 48 - HD2 ARG 145 lone 5 100 - 5 - HD2 LYS 48 - HD3 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD2 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD3 ARG 145 lone 5 99 - 5 - HG13 ILE 136 - HD2 ARG 145 lone 5 62 - 8 - 2.3/10335=1, ~10335=1 HG13 ILE 136 - HD3 ARG 145 lone 5 62 - 8 - ~10335=1, 2.3/10335=1 HB2 MET 68 - HD2 ARG 145 lone 4 94 - 4 - HB2 MET 68 - HD3 ARG 145 lone 4 94 - 4 - HD2 LYS 93 - HD2 ARG 145 lone 3 89 - 3 - HD2 LYS 93 - HD3 ARG 145 lone 3 88 - 3 - HG LEU 97 - HD2 ARG 145 lone 3 62 - 5 - HG LEU 97 - HD2 ARG 109 lone 3 44 - 6 - 2.1/9126=3, ~10237=2 HG LEU 97 - HD3 ARG 145 lone 3 62 - 4 - HG2 ARG 140 - HD2 ARG 145 lone 2 68 - 4 - HG2 ARG 140 - HD3 ARG 145 lone 2 67 - 4 - HB VAL 71 - HD2 ARG 109 lone 2 79 - 3 - HG3 ARG 141 - HD2 ARG 145 lone 2 68 - 3 - HG3 ARG 141 - HD3 ARG 145 lone 2 67 - 3 - HD2 LYS 48 - HD2 ARG 109 lone 2 79 - 2 - HD3 LYS 48 - HD2 ARG 109 lone 2 78 - 2 - HB2 MET 68 - HD2 ARG 109 lone 1 72 - 2 - HD2 LYS 93 - HD2 ARG 109 lone 1 66 - 2 - HG2 ARG 140 - HD2 ARG 109 lone 1 48 - 3 - HG3 ARG 141 - HD2 ARG 109 lone 0 48 - 1 - Peak 4980 from cnoeabs.peaks (1.79, 3.12, 43.40 ppm; 3.58 A): 3 out of 27 assignments used, quality = 1.00: * HB3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD2 ARG 109 OK 61 81 - 75 - 4959=11, 1.8/4951=8...(38) HB2 ARG 124 - HD2 ARG 145 OK 38 85 - 44 - 4948/3.4=6, 4209/3.0=3...(21) HB2 ARG 124 - HD3 ARG 145 OK 37 85 - 44 - 4948/3.4=6, 4209/3.0=3...(21) HB2 ARG 124 - HD2 ARG 109 OK 33 63 - 52 - ~4237=5, ~4228=5...(22) HG2 PRO 57 - HD2 ARG 145 OK 16 92 - 18 - 4948/3.4=2, 4940/5.3=1, ~1540=1 HG2 PRO 57 - HD3 ARG 145 OK 16 91 - 18 - 4948/3.4=2, 4940/5.3=1, ~1540=1 HD2 LYS 34 - HD2 ARG 145 lone 9 100 - 9 - 4948/3.4=2 HD2 LYS 34 - HD3 ARG 145 lone 9 100 - 9 - 4948/3.4=2 HD3 LYS 34 - HD2 ARG 145 lone 9 100 - 9 - 4948/3.4=1 HD3 LYS 34 - HD3 ARG 145 lone 9 100 - 9 - 4948/3.4=1 HG LEU 72 - HD2 ARG 145 lone 8 94 - 8 - 4948/3.4=1 HG LEU 72 - HD3 ARG 145 lone 8 94 - 8 - 4948/3.4=1 HG LEU 72 - HD2 ARG 109 lone 6 72 - 8 - ~9275=3, ~9275=3 HD3 LYS 86 - HD2 ARG 109 lone 6 66 - 9 - 2740/3.6=2, ~3578=1...(4) HD3 LYS 86 - HD2 ARG 145 lone 5 89 - 5 - HD3 LYS 86 - HD3 ARG 145 lone 5 88 - 5 - HB3 LYS 24 - HD2 ARG 145 lone 5 96 - 5 - HB3 LYS 24 - HD3 ARG 145 lone 5 96 - 5 - HB3 LYS 24 - HD2 ARG 109 lone 4 74 - 6 - 11342/5.7=3 HG2 PRO 57 - HD2 ARG 109 lone 2 69 - 3 - HD2 LYS 34 - HD2 ARG 109 lone 1 81 - 1 - HD3 LYS 34 - HD2 ARG 109 lone 1 81 - 1 - HB3 MET 59 - HD2 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HD3 ARG 145 lone 1 67 - 1 - HB3 MET 59 - HD2 ARG 109 lone 1 48 - 1 - Peak 4981 from cnoeabs.peaks (1.57, 3.12, 43.40 ppm; 2.99 A): 12 out of 27 assignments used, quality = 1.00: * HG2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 109 OK 74 74 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 145 OK 72 96 - 75 - 1.8/3564=9, ~3564=5...(52) HG2 ARG 109 + HD3 ARG 145 OK 72 96 - 75 - 1.8/3564=9, ~3564=5...(52) HG3 ARG 109 + HD2 ARG 145 OK 67 85 - 78 - 3564=10, 3564/1.8=7...(66) HG3 ARG 109 + HD3 ARG 145 OK 67 85 - 78 - 3564=10, 3564/1.8=7...(66) HG3 ARG 109 + HD2 ARG 109 OK 63 63 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 109 OK 49 81 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG3 ARG 145 + HD2 ARG 109 OK 48 80 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG3 ARG 124 - HD2 ARG 145 OK 36 92 - 39 - 4235/3.4=3, 4233/3.4=3...(16) HG3 ARG 124 - HD3 ARG 145 OK 36 91 - 39 - 4235/3.4=3, 4233/3.4=3...(16) HG3 ARG 124 - HD2 ARG 109 OK 31 69 - 45 - 4237/1.8=6, ~4228=5...(22) HB2 LEU 66 - HD2 ARG 109 OK 27 80 - 33 - ~9274=3, ~9274=3...(16) HD2 LYS 85 - HD2 ARG 109 OK 21 80 - 26 - ~10238=3, 3562/3.0=2...(10) HD3 LYS 85 - HD2 ARG 109 OK 19 74 - 25 - ~10238=3, 3562/3.0=2...(11) HB2 LEU 126 - HD2 ARG 109 OK 14 81 - 17 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 9 100 - 9 - HD2 LYS 85 - HD3 ARG 145 lone 9 100 - 9 - HD3 LYS 85 - HD2 ARG 145 lone 9 96 - 9 - HD3 LYS 85 - HD3 ARG 145 lone 8 96 - 9 - HB2 LEU 66 - HD2 ARG 145 lone 7 100 - 7 - HB2 LEU 66 - HD3 ARG 145 lone 7 100 - 7 - HB2 LEU 126 - HD2 ARG 145 lone 7 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - Peak 4982 from cnoeabs.peaks (1.57, 3.12, 43.40 ppm; 2.99 A): 12 out of 27 assignments used, quality = 1.00: * HG3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 109 OK 78 78 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 145 OK 74 99 - 75 - 1.8/3564=9, ~3564=5...(52) HG2 ARG 109 + HD3 ARG 145 OK 74 99 - 75 - 1.8/3564=9, ~3564=5...(52) HG3 ARG 109 + HD2 ARG 145 OK 60 77 - 77 - 3564=8, 3564/1.8=6...(66) HG3 ARG 109 + HD3 ARG 145 OK 59 77 - 77 - 3564=8, 3564/1.8=6...(66) HG3 ARG 109 + HD2 ARG 109 OK 55 55 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 109 OK 49 81 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG2 ARG 145 + HD2 ARG 109 OK 48 80 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG3 ARG 124 - HD2 ARG 145 OK 33 85 - 38 - 4235/3.4=3, 4233/3.4=2...(16) HG3 ARG 124 - HD3 ARG 145 OK 32 85 - 39 - 4235/3.4=3, 4233/3.4=2...(16) HG3 ARG 124 - HD2 ARG 109 OK 28 63 - 45 - 4237/1.8=5, ~4228=5...(22) HB2 LEU 66 - HD2 ARG 109 OK 26 78 - 33 - ~9274=3, ~9274=3...(16) HD2 LYS 85 - HD2 ARG 109 OK 21 81 - 26 - ~10238=3, 3562/3.0=3...(10) HD3 LYS 85 - HD2 ARG 109 OK 17 69 - 25 - ~10238=3, 3562/3.0=2...(11) HB2 LEU 126 - HD2 ARG 109 OK 14 80 - 17 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 9 100 - 9 - HD2 LYS 85 - HD3 ARG 145 lone 9 100 - 9 - HD3 LYS 85 - HD2 ARG 145 lone 8 92 - 9 - HD3 LYS 85 - HD3 ARG 145 lone 8 91 - 9 - HB2 LEU 66 - HD2 ARG 145 lone 7 99 - 7 - HB2 LEU 66 - HD3 ARG 145 lone 7 99 - 7 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - Peak 4983 from cnoeabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 79 79 - 100 Peak 4984 from cnoeabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 78 78 - 100 Reference assignment not found: HD3 ARG 145 - HD2 ARG 145 Peak 4985 from cnoeabs.peaks (8.01, 3.12, 43.40 ppm; 5.84 A): 3 out of 15 assignments used, quality = 1.00: * H ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 6.0=94, 4945/3.4=39...(26) H ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 6.0=94, 4945/3.4=39...(26) H ARG 145 + HD2 ARG 109 OK 56 78 - 73 - 3.0/4978=11, 4.0/4951=10...(17) H VAL 73 - HD2 ARG 145 OK 22 81 - 27 - 4953/3.4=7, 4945/3.4=5...(8) H VAL 73 - HD3 ARG 145 OK 22 81 - 27 - 4953/3.4=7, 4945/3.4=5...(8) H THR 51 - HD2 ARG 145 OK 17 96 - 17 - 3.6/11646=4, 3.6/10742=4...(5) H THR 51 - HD3 ARG 145 OK 17 96 - 17 - 3.6/11646=4, 3.6/10742=3...(5) H ALA 104 - HD3 ARG 145 OK 16 89 - 18 - 4953/3.4=2, 4945/3.4=2...(8) H ALA 104 - HD2 ARG 145 OK 16 88 - 18 - 4953/3.4=2, 4945/3.4=2...(8) H ALA 104 - HD2 ARG 109 OK 11 63 - 17 - 4.6/7228=5, 2.8/11127=2...(5) H VAL 73 - HD2 ARG 109 poor 10 56 - 17 - 4.0/8570=8, 8579/2390=2 H THR 51 - HD2 ARG 109 poor 9 71 - 12 - 8222/3.6=4, 3.6/11646=1 H ARG 140 - HD3 ARG 145 poor 9 68 - 12 - 2.9/11646=2, 4953/3.4=1...(5) H ARG 140 - HD2 ARG 145 poor 9 67 - 12 - 2.9/11646=2, 4953/3.4=1...(5) H ARG 140 - HD2 ARG 109 lone 3 45 - 6 - 10457/10335=1 Peak 4986 from cnoeabs.peaks (4.13, 3.12, 43.40 ppm; 3.90 A): 3 out of 3 assignments used, quality = 1.00: * HA ARG 145 + HD3 ARG 145 OK 94 100 - 94 - 5.3=39, 4940/3.4=25...(35) HA ARG 145 + HD2 ARG 145 OK 94 100 - 94 - 5.3=39, 4940/3.4=25...(35) HA ARG 145 + HD2 ARG 109 OK 47 78 - 60 - 4943=10, 4970/3.0=7...(28) Peak 4987 from cnoeabs.peaks (1.67, 3.12, 43.40 ppm; 3.50 A): 5 out of 39 assignments used, quality = 1.00: * HB2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD2 ARG 109 OK 57 78 - 73 - 4951=10, 1.8/4959=8...(37) HG2 ARG 124 + HD3 ARG 145 OK 49 96 - 52 - 4955/3.4=6, 4227/3.0=4...(32) HG2 ARG 124 + HD2 ARG 145 OK 49 96 - 51 - 4955/3.4=6, 4227/3.0=4...(31) HG2 ARG 124 - HD2 ARG 109 OK 42 71 - 59 - 4228/1.8=9, ~4237=7...(27) HB VAL 71 - HD2 ARG 145 OK 19 99 - 19 - ~8505=3, ~8505=2...(7) HB VAL 71 - HD3 ARG 145 OK 19 100 - 19 - ~8505=3, 2.1/8505=3...(7) HG13 ILE 136 - HD2 ARG 109 OK 16 41 - 38 - ~9668=8, ~10333=7...(8) HB2 LEU 95 - HD3 ARG 145 OK 14 100 - 14 - 3.0/11646=2, ~11646=2...(4) HB2 LEU 95 - HD2 ARG 145 OK 14 99 - 14 - 3.0/11646=2, ~11646=2...(4) HG2 ARG 89 - HD2 ARG 109 OK 11 76 - 15 - 2879/3.6=3, ~3579=2...(7) HG2 ARG 89 - HD3 ARG 145 lone 7 100 - 7 - HG2 ARG 89 - HD2 ARG 145 lone 7 99 - 7 - HB2 LEU 95 - HD2 ARG 109 lone 6 76 - 8 - 3.0/11646=1, ~9275=1 HD2 LYS 48 - HD3 ARG 145 lone 5 100 - 5 - HD2 LYS 48 - HD2 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD3 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD2 ARG 145 lone 5 99 - 5 - HG13 ILE 136 - HD3 ARG 145 lone 5 62 - 8 - ~10335=1, 2.3/10335=1 HG13 ILE 136 - HD2 ARG 145 lone 5 62 - 8 - ~10335=1, 2.3/10335=1 HB2 MET 68 - HD3 ARG 145 lone 4 94 - 4 - HB2 MET 68 - HD2 ARG 145 lone 4 94 - 4 - HD2 LYS 93 - HD3 ARG 145 lone 3 89 - 3 - HD2 LYS 93 - HD2 ARG 145 lone 3 88 - 3 - HG LEU 97 - HD2 ARG 145 lone 3 62 - 5 - HG LEU 97 - HD3 ARG 145 lone 3 62 - 4 - HG LEU 97 - HD2 ARG 109 lone 3 41 - 6 - 2.1/9126=2, ~10237=2 HG2 ARG 140 - HD3 ARG 145 lone 2 68 - 4 - HG2 ARG 140 - HD2 ARG 145 lone 2 67 - 4 - HB VAL 71 - HD2 ARG 109 lone 2 76 - 3 - HG3 ARG 141 - HD3 ARG 145 lone 2 68 - 3 - HG3 ARG 141 - HD2 ARG 145 lone 2 67 - 3 - HD2 LYS 48 - HD2 ARG 109 lone 2 76 - 2 - HD3 LYS 48 - HD2 ARG 109 lone 2 75 - 2 - HB2 MET 68 - HD2 ARG 109 lone 1 69 - 2 - HD2 LYS 93 - HD2 ARG 109 lone 1 63 - 2 - HG2 ARG 140 - HD2 ARG 109 lone 1 45 - 2 - HG3 ARG 141 - HD2 ARG 109 lone 0 45 - 1 - Peak 4988 from cnoeabs.peaks (1.79, 3.12, 43.40 ppm; 3.58 A): 3 out of 27 assignments used, quality = 1.00: * HB3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD2 ARG 109 OK 58 78 - 75 - 4959=11, 1.8/4951=8...(38) HB2 ARG 124 - HD3 ARG 145 OK 38 85 - 44 - 4948/3.4=6, 4209/3.0=3...(21) HB2 ARG 124 - HD2 ARG 145 OK 37 85 - 44 - 4948/3.4=6, 4209/3.0=3...(21) HB2 ARG 124 - HD2 ARG 109 OK 31 60 - 52 - ~4237=5, ~4228=5...(22) HG2 PRO 57 - HD3 ARG 145 OK 16 92 - 18 - 4948/3.4=2, 4940/5.3=1, ~1540=1 HG2 PRO 57 - HD2 ARG 145 OK 16 91 - 18 - 4948/3.4=2, 4940/5.3=1, ~1540=1 HD2 LYS 34 - HD3 ARG 145 lone 9 100 - 9 - 4948/3.4=2 HD2 LYS 34 - HD2 ARG 145 lone 9 100 - 9 - 4948/3.4=2 HD3 LYS 34 - HD3 ARG 145 lone 9 100 - 9 - 4948/3.4=1 HD3 LYS 34 - HD2 ARG 145 lone 9 100 - 9 - 4948/3.4=1 HG LEU 72 - HD3 ARG 145 lone 8 94 - 8 - 4948/3.4=1 HG LEU 72 - HD2 ARG 145 lone 8 94 - 8 - 4948/3.4=1 HD3 LYS 86 - HD2 ARG 109 lone 6 63 - 9 - 2740/3.6=2, ~3578=1...(4) HG LEU 72 - HD2 ARG 109 lone 6 69 - 8 - ~9275=3, ~9275=3 HD3 LYS 86 - HD3 ARG 145 lone 5 89 - 5 - HD3 LYS 86 - HD2 ARG 145 lone 5 88 - 5 - HB3 LYS 24 - HD3 ARG 145 lone 5 96 - 5 - HB3 LYS 24 - HD2 ARG 145 lone 5 96 - 5 - HB3 LYS 24 - HD2 ARG 109 lone 4 71 - 6 - 11342/5.7=3 HG2 PRO 57 - HD2 ARG 109 lone 2 66 - 3 - HD2 LYS 34 - HD2 ARG 109 lone 1 77 - 1 - HD3 LYS 34 - HD2 ARG 109 lone 1 77 - 1 - HB3 MET 59 - HD3 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HD2 ARG 145 lone 1 67 - 1 - HB3 MET 59 - HD2 ARG 109 lone 0 45 - 1 - Peak 4989 from cnoeabs.peaks (1.57, 3.12, 43.40 ppm; 2.99 A): 12 out of 27 assignments used, quality = 1.00: * HG2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 109 + HD3 ARG 145 OK 72 96 - 75 - 1.8/3564=9, ~3564=5...(52) HG2 ARG 109 + HD2 ARG 145 OK 71 96 - 75 - 1.8/3564=9, ~3564=5...(52) HG2 ARG 109 + HD2 ARG 109 OK 71 71 - 100 - 3.0=100 HG3 ARG 109 + HD3 ARG 145 OK 67 85 - 78 - 3564=9, 3564/1.8=7...(66) HG3 ARG 109 + HD2 ARG 145 OK 66 85 - 78 - 3564=10, 3564/1.8=7...(66) HG3 ARG 109 + HD2 ARG 109 OK 60 60 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 109 OK 47 78 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG3 ARG 145 + HD2 ARG 109 OK 46 77 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG3 ARG 124 - HD3 ARG 145 OK 36 92 - 39 - 4235/3.4=3, 4233/3.4=3...(16) HG3 ARG 124 - HD2 ARG 145 OK 35 91 - 39 - 4235/3.4=3, 4233/3.4=3...(16) HG3 ARG 124 - HD2 ARG 109 OK 30 66 - 45 - 4237/1.8=6, ~4228=5...(22) HB2 LEU 66 - HD2 ARG 109 OK 25 77 - 33 - ~9274=3, ~9274=3...(16) HD2 LYS 85 - HD2 ARG 109 OK 20 77 - 26 - ~10238=3, 3562/3.0=2...(10) HD3 LYS 85 - HD2 ARG 109 OK 18 71 - 25 - ~10238=3, 3562/3.0=2...(11) HB2 LEU 126 - HD2 ARG 109 OK 13 78 - 17 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 9 100 - 9 - HD2 LYS 85 - HD3 ARG 145 lone 9 100 - 9 - HD3 LYS 85 - HD3 ARG 145 lone 8 96 - 9 - HD3 LYS 85 - HD2 ARG 145 lone 8 96 - 9 - HB2 LEU 66 - HD3 ARG 145 lone 7 100 - 7 - HB2 LEU 66 - HD2 ARG 145 lone 7 100 - 7 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - Peak 4990 from cnoeabs.peaks (1.57, 3.12, 43.40 ppm; 2.99 A): 12 out of 27 assignments used, quality = 1.00: * HG3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 109 OK 74 75 - 100 - 3.0=100 HG2 ARG 109 + HD3 ARG 145 OK 74 99 - 75 - 1.8/3564=9, ~3564=5...(52) HG2 ARG 109 + HD2 ARG 145 OK 74 99 - 75 - 1.8/3564=9, ~3564=5...(52) HG3 ARG 109 + HD3 ARG 145 OK 60 77 - 77 - 3564=8, 3564/1.8=6...(66) HG3 ARG 109 + HD2 ARG 145 OK 59 77 - 77 - 3564=8, 3564/1.8=6...(66) HG3 ARG 109 + HD2 ARG 109 OK 53 53 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 109 OK 47 78 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG2 ARG 145 + HD2 ARG 109 OK 46 77 - 60 - 3562/3.0=5, 2.9/4959=5...(36) HG3 ARG 124 - HD3 ARG 145 OK 33 85 - 38 - 4235/3.4=3, 4233/3.4=2...(16) HG3 ARG 124 - HD2 ARG 145 OK 32 85 - 38 - 4235/3.4=3, 4233/3.4=2...(16) HG3 ARG 124 - HD2 ARG 109 OK 27 60 - 45 - 4237/1.8=5, ~4228=5...(22) HB2 LEU 66 - HD2 ARG 109 OK 25 75 - 33 - ~9274=3, ~9274=3...(16) HD2 LYS 85 - HD2 ARG 109 OK 20 78 - 26 - ~10238=3, 3562/3.0=3...(10) HD3 LYS 85 - HD2 ARG 109 OK 16 66 - 25 - ~10238=3, 3562/3.0=2...(11) HB2 LEU 126 - HD2 ARG 109 OK 13 77 - 17 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 9 100 - 9 - HD2 LYS 85 - HD3 ARG 145 lone 9 100 - 9 - HD3 LYS 85 - HD3 ARG 145 lone 8 92 - 9 - HD3 LYS 85 - HD2 ARG 145 lone 8 91 - 9 - HB2 LEU 66 - HD3 ARG 145 lone 7 99 - 7 - HB2 LEU 66 - HD2 ARG 145 lone 7 99 - 7 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - Peak 4991 from cnoeabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 76 76 - 100 Reference assignment not found: HD2 ARG 145 - HD3 ARG 145 Peak 4992 from cnoeabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 75 75 - 100 Peak 5501 from cnoeabs.peaks (4.52, 6.90, 119.60 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.80: * HA HIS 14 + HD2 HIS 14 OK 76 98 - 78 - 4.7=50, 3.0/133=34, 3.0/139=31 HA TYR 115 + HD2 HIS 14 OK 15 93 - 16 - 136/4.0=4, 130/4.0=4...(5) Peak 5502 from cnoeabs.peaks (2.93, 6.90, 119.60 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.81: * HB2 HIS 14 + HD2 HIS 14 OK 81 97 - 84 - 4.0=62, 1.8/139=36...(5) HE2 LYS 61 - HD2 HIS 14 poor 9 88 - 11 - 137/4.0=3, 125/4.7=3...(5) HE3 LYS 61 - HD2 HIS 14 lone 9 88 - 10 - 137/4.0=3, 125/4.7=3...(5) HB3 ASN 130 - HD2 HIS 14 lone 1 84 - 2 - HE3 LYS 93 - HD2 HIS 14 lone 0 68 - 0 - HD2 ARG 35 - HD2 HIS 14 lone 0 58 - 0 - Peak 5503 from cnoeabs.peaks (2.99, 6.90, 119.60 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.85: * HB3 HIS 14 + HD2 HIS 14 OK 85 98 - 87 - 4.0=68, 1.8/133=41...(5) HB2 ASP 30 - HD2 HIS 14 lone 2 68 - 3 - 3.8/6129=1 HB3 ASN 128 - HD2 HIS 14 lone 1 93 - 1 - HA VAL 82 - HD2 HIS 14 lone 1 84 - 1 - Peak 5504 from cnoeabs.peaks (6.90, 6.90, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HD2 HIS 14 + HD2 HIS 14 OK 98 98 - 100 Peak 5508 from cnoeabs.peaks (4.81, 7.05, 125.96 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 17 + HD1 TRP 17 OK 100 100 - 100 - 4.6=100 HA ASN 54 - HD1 TRP 17 lone 6 67 - 8 - ~11250=3, 175/3.9=2...(4) Peak 5509 from cnoeabs.peaks (3.15, 7.05, 125.96 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 17 + HD1 TRP 17 OK 100 100 - 100 - 3.9=100 HB2 TYR 70 - HD1 TRP 17 OK 33 96 - 34 - 186/3.9=11, 166/4.6=8...(5) HA LEU 39 - HD1 TRP 17 lone 4 77 - 5 - 6047/5.9=1, 186/3.9=1 Peak 5511 from cnoeabs.peaks (7.05, 7.05, 125.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 17 + HD1 TRP 17 OK 100 100 - 100 Peak 5517 from cnoeabs.peaks (7.22, 7.22, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 17 + HE3 TRP 17 OK 100 100 - 100 Peak 5519 from cnoeabs.peaks (7.29, 7.22, 119.63 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 17 + HE3 TRP 17 OK 100 100 - 100 - 5.0=100 H PHE 67 - HE3 TRP 17 OK 14 98 - 15 - 4778/2.5=5, 4534/4.3=4...(4) QE PHE 106 - HE3 TRP 17 OK 11 99 - 10 - 5534/4.3=4, 4778/2.5=3 Peak 5521 from cnoeabs.peaks (7.05, 6.77, 121.48 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.78: QE PHE 67 + HZ3 TRP 17 OK 58 99 - 59 - 5526/4.3=16...(11) * HD1 TRP 17 + HZ3 TRP 17 OK 47 100 - 47 - 6.6=33, 5526/4.3=15, 6049/8.1=5 Peak 5522 from cnoeabs.peaks (7.22, 6.77, 121.48 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * HE3 TRP 17 + HZ3 TRP 17 OK 100 100 - 100 - 2.5=100 H GLU 37 - HZ3 TRP 17 OK 31 100 - 32 - 3.6/10779=27...(3) QD PHE 45 - HZ3 TRP 17 OK 30 99 - 30 - ~5588=4, 657/10779=4...(11) Peak 5523 from cnoeabs.peaks (6.77, 6.77, 121.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 17 + HZ3 TRP 17 OK 100 100 - 100 Peak 5525 from cnoeabs.peaks (7.00, 6.77, 121.48 ppm; 4.25 A): 1 out of 6 assignments used, quality = 1.00: * HH2 TRP 17 + HZ3 TRP 17 OK 100 100 - 100 - 2.4=100 HZ PHE 67 - HZ3 TRP 17 OK 39 100 - 39 - 2.2/5521=18, 4530/4.3=6...(7) HZ PHE 45 - HZ3 TRP 17 OK 13 77 - 16 - 3.8/4522=4, ~5588=3...(7) QE PHE 43 - HZ3 TRP 17 OK 12 100 - 12 - 11221/8130=2, ~5533=2...(8) HD22 ASN 130 - HZ3 TRP 17 lone 2 99 - 2 - HD22 ASN 128 - HZ3 TRP 17 lone 2 99 - 2 - Peak 5526 from cnoeabs.peaks (7.05, 7.29, 114.28 ppm; 3.49 A): 2 out of 2 assignments used, quality = 0.64: QE PHE 67 + HZ2 TRP 17 OK 42 99 - 42 - 5521/4.3=8, 2.2/5530=8...(12) * HD1 TRP 17 + HZ2 TRP 17 OK 39 100 - 39 - 5.0=33, 5521/4.3=6, 6049/8.8=2 Peak 5528 from cnoeabs.peaks (6.77, 7.29, 114.28 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 - 4.3=100 QE TYR 112 - HZ2 TRP 17 lone 1 85 - 2 - Peak 5529 from cnoeabs.peaks (7.29, 7.29, 114.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 Peak 5530 from cnoeabs.peaks (7.00, 7.29, 114.28 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HH2 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 - 2.5=100 HZ PHE 67 - HZ2 TRP 17 OK 32 100 - 32 - 2.2/5526=15, ~5600=3...(8) QE PHE 43 - HZ2 TRP 17 lone 7 100 - 7 - 5602/5526=1 HZ PHE 45 - HZ2 TRP 17 lone 5 77 - 6 - ~5588=2, ~4588=1, 5525/4.3=1 HD22 ASN 130 - HZ2 TRP 17 lone 1 99 - 1 - HD22 ASN 128 - HZ2 TRP 17 lone 1 99 - 1 - Peak 5533 from cnoeabs.peaks (6.77, 7.00, 124.28 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 2.4=100 QE TYR 112 - HH2 TRP 17 lone 1 85 - 1 - Peak 5534 from cnoeabs.peaks (7.29, 7.00, 124.28 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 2.5=100 H PHE 67 - HH2 TRP 17 OK 12 98 - 12 - 4.3/5597=4, 6.1/4600=2...(5) QE PHE 106 - HH2 TRP 17 lone 8 99 - 7 - ~5649=1 Peak 5535 from cnoeabs.peaks (7.00, 7.00, 124.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 17 + HH2 TRP 17 OK 100 100 - 100 Peak 5540 from cnoeabs.peaks (6.93, 6.93, 131.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: * QD PHE 23 + QD PHE 23 OK 95 95 - 100 Peak 5541 from cnoeabs.peaks (6.62, 6.93, 131.46 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.92: * QE PHE 23 + QD PHE 23 OK 92 92 - 100 - 2.2=100 Peak 5542 from cnoeabs.peaks (6.88, 6.93, 131.46 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.95: * HZ PHE 23 + QD PHE 23 OK 95 95 - 100 - 3.8=100 HE21 GLN 111 - QD PHE 23 lone 1 85 - 2 - HE22 GLN 47 - QD PHE 23 lone 1 95 - 1 - Peak 5543 from cnoeabs.peaks (6.93, 6.62, 130.58 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.91: * QD PHE 23 + QE PHE 23 OK 88 88 - 100 - 2.2=100 QD TYR 112 + QE PHE 23 OK 22 83 - 26 - ~3669=6, ~4656=5...(7) HD21 ASN 139 - QE PHE 23 lone 1 59 - 2 - Peak 5544 from cnoeabs.peaks (6.62, 6.62, 130.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: * QE PHE 23 + QE PHE 23 OK 85 85 - 100 Peak 5545 from cnoeabs.peaks (6.88, 6.62, 130.58 ppm; 5.26 A): 1 out of 3 assignments used, quality = 0.88: * HZ PHE 23 + QE PHE 23 OK 88 88 - 100 - 2.2=100 HE21 GLN 111 - QE PHE 23 lone 2 78 - 3 - HE22 GLN 47 - QE PHE 23 lone 2 89 - 2 - Peak 5546 from cnoeabs.peaks (6.93, 6.88, 129.40 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.72: * QD PHE 23 + HZ PHE 23 OK 72 95 - 75 - 3.8=74, 10841/10840=2 QD TYR 112 - HZ PHE 23 lone 4 91 - 5 - 5543/2.2=4 HD21 ASN 139 - HZ PHE 23 lone 0 66 - 1 - Peak 5547 from cnoeabs.peaks (6.62, 6.88, 129.40 ppm; 6.02 A): 1 out of 1 assignment used, quality = 0.93: * QE PHE 23 + HZ PHE 23 OK 93 93 - 100 - 2.2=100 Peak 5548 from cnoeabs.peaks (6.88, 6.88, 129.40 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: * HZ PHE 23 + HZ PHE 23 OK 95 95 - 100 Peak 5550 from cnoeabs.peaks (3.06, 7.20, 133.15 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: * HB2 TYR 27 + QD TYR 27 OK 98 98 - 100 - 2.6=100 HB3 TRP 88 + QD TYR 27 OK 64 88 - 74 - 11014=28, 1.8/11013=27...(14) HB3 ASP 30 + QD TYR 27 OK 62 88 - 71 - ~293=14, ~293=11...(14) HE3 LYS 34 - QD TYR 27 OK 44 98 - 45 - 3.7/11170=15...(10) HE2 LYS 34 - QD TYR 27 OK 43 94 - 46 - 3.7/11170=15...(10) HE3 LYS 86 - QD TYR 27 OK 39 96 - 41 - 285/3.7=6, 299/2.6=5...(17) HE2 LYS 86 - QD TYR 27 OK 39 94 - 41 - 285/3.7=6, 299/2.6=5...(17) HB2 HIS 10 - QD TYR 27 lone 4 88 - 5 - Peak 5551 from cnoeabs.peaks (2.97, 7.20, 133.15 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + QD TYR 27 OK 98 98 - 100 - 2.6=100 HB2 ASP 30 + QD TYR 27 OK 60 85 - 72 - 293/2.6=14, 286/3.7=12...(14) HA VAL 71 + QD TYR 27 OK 58 97 - 60 - ~4812=13, 286/3.7=7...(15) HA VAL 82 - QD TYR 27 OK 29 68 - 43 - 3.2/10000=10, 2.4/9975=9...(13) Peak 5552 from cnoeabs.peaks (7.20, 7.20, 133.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD TYR 27 + QD TYR 27 OK 97 97 - 100 Peak 5554 from cnoeabs.peaks (7.20, 6.70, 118.79 ppm; 4.56 A): 3 out of 5 assignments used, quality = 0.85: * QD TYR 27 + QE TYR 27 OK 72 72 - 100 - 2.2=100 H LYS 36 + QE TYR 27 OK 28 38 - 74 - 2.8/11205=24...(19) H GLU 37 + QE TYR 27 OK 22 49 - 45 - 3.6/11205=21...(13) HE3 TRP 88 - QE TYR 27 poor 9 71 - 12 - 294/4.5=3, 301/4.5=2...(5) HE3 TRP 17 - QE TYR 27 lone 2 42 - 5 - Peak 5555 from cnoeabs.peaks (6.70, 6.70, 118.79 ppm; diagonal): 1 out of 1 assignment used, quality = 0.62: * QE TYR 27 + QE TYR 27 OK 62 62 - 100 Peak 5556 from cnoeabs.peaks (4.17, 6.97, 131.22 ppm; 5.73 A): 3 out of 8 assignments used, quality = 0.98: * HA PHE 38 + QD PHE 38 OK 93 93 - 100 - 3.1=100 HA GLU 120 + QD PHE 38 OK 52 87 - 60 - 800/2.6=9, 809/2.6=9...(18) HA TRP 88 + QD PHE 38 OK 48 93 - 52 - 787/4.3=8, 790/2.6=8...(18) HA LEU 64 - QD PHE 38 OK 37 92 - 40 - 8507/8525=5, 800/2.6=4...(16) HB2 SER 44 - QD PHE 38 OK 31 78 - 40 - 809/2.6=6, 800/2.6=5...(15) HB3 SER 44 - QD PHE 38 OK 31 78 - 40 - 809/2.6=5, 800/2.6=5...(15) HG1 THR 74 - QD PHE 38 OK 15 93 - 16 - 8507/8525=4, 8509/8528=3...(6) HA3 GLY 125 - QD PHE 38 lone 2 53 - 3 - Peak 5557 from cnoeabs.peaks (2.73, 6.97, 131.22 ppm; 5.98 A): 3 out of 6 assignments used, quality = 0.99: * HB2 PHE 38 + QD PHE 38 OK 93 93 - 100 - 2.6=100 HB3 TYR 70 + QD PHE 38 OK 78 93 - 84 - 11543=40, 11541/3.8=34...(14) HB3 GLU 120 + QD PHE 38 OK 65 92 - 71 - 810/2.6=10, ~4017=8...(24) HB3 MET 46 - QD PHE 38 OK 25 81 - 31 - 810/2.6=3, 6244/4.3=3...(14) HB2 ASN 84 - QD PHE 38 OK 18 62 - 29 - ~797=7, ~796=4...(11) HB2 ASN 96 - QD PHE 38 lone 6 78 - 7 - 8504/8525=1 Peak 5558 from cnoeabs.peaks (3.32, 6.97, 131.22 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.93: * HB3 PHE 38 + QD PHE 38 OK 93 93 - 100 - 2.6=100 Peak 5559 from cnoeabs.peaks (6.97, 6.97, 131.22 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: * QD PHE 38 + QD PHE 38 OK 90 90 - 100 Peak 5560 from cnoeabs.peaks (6.28, 6.97, 131.22 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.89: * QE PHE 38 + QD PHE 38 OK 89 89 - 100 - 2.2=100 Peak 5561 from cnoeabs.peaks (6.23, 6.97, 131.22 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.92: * HZ PHE 38 + QD PHE 38 OK 92 92 - 100 - 3.8=100 Peak 5562 from cnoeabs.peaks (6.97, 6.28, 131.30 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.88: * QD PHE 38 + QE PHE 38 OK 85 85 - 100 - 2.2=100 HD2 HIS 10 + QE PHE 38 OK 20 65 - 30 - 4776/6.3=9, 803/4.5=6...(6) Peak 5563 from cnoeabs.peaks (6.28, 6.28, 131.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: * QE PHE 38 + QE PHE 38 OK 83 83 - 100 Peak 5564 from cnoeabs.peaks (6.23, 6.28, 131.30 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.87: * HZ PHE 38 + QE PHE 38 OK 87 87 - 100 - 2.2=100 Peak 5565 from cnoeabs.peaks (6.97, 6.23, 129.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.97: * QD PHE 38 + HZ PHE 38 OK 97 97 - 100 - 3.8=100 HD2 HIS 10 - HZ PHE 38 OK 31 79 - 39 - 4776/7.9=13, 5562/2.2=9...(6) Peak 5566 from cnoeabs.peaks (6.28, 6.23, 129.00 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.96: * QE PHE 38 + HZ PHE 38 OK 96 96 - 100 - 2.2=100 Peak 5567 from cnoeabs.peaks (6.23, 6.23, 129.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 38 + HZ PHE 38 OK 99 99 - 100 Peak 5569 from cnoeabs.peaks (2.69, 7.35, 131.53 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 43 + QD PHE 43 OK 100 100 - 100 - 2.7=100 HB2 ASP 137 + QD PHE 43 OK 74 88 - 84 - 985/2.7=15, 964/3.1=15...(17) HB3 TYR 115 - QD PHE 43 OK 45 99 - 46 - 964/3.1=7, ~3842=7...(12) HB2 ASP 32 - QD PHE 43 OK 24 94 - 25 - 10806/10633=7, 964/3.1=3...(9) HB3 ASP 16 - QD PHE 43 OK 20 81 - 24 - ~157=4, ~152=3...(10) HB3 ASP 13 - QD PHE 43 OK 17 100 - 17 - 972/3.1=5, 8241/10633=3...(6) Peak 5570 from cnoeabs.peaks (2.74, 7.35, 131.53 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + QD PHE 43 OK 100 100 - 100 - 2.7=100 HB3 ASP 137 + QD PHE 43 OK 85 100 - 85 - ~985=14, 977/2.7=12...(17) HB3 ASP 40 + QD PHE 43 OK 74 91 - 81 - ~875=28, ~875=26...(14) HG3 MET 113 + QD PHE 43 OK 48 99 - 48 - ~971=9, ~971=7...(15) HE2 LYS 76 - QD PHE 43 OK 31 77 - 40 - 3.9/9881=12, 5.1/2272=6...(14) HE3 LYS 76 - QD PHE 43 OK 23 57 - 40 - 3.9/9881=12, 5.1/2272=6...(14) HE2 LYS 114 - QD PHE 43 OK 23 72 - 32 - 6.3/10197=19...(6) HB2 ASN 96 - QD PHE 43 OK 15 91 - 16 - ~3169=2, ~9085=2...(9) HB2 ASN 54 - QD PHE 43 OK 14 99 - 14 - 4.5/11212=2, ~10432=1...(7) Peak 5571 from cnoeabs.peaks (7.35, 7.35, 131.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 43 + QD PHE 43 OK 100 100 - 100 Peak 5572 from cnoeabs.peaks (7.00, 7.35, 131.53 ppm; 4.32 A): 1 out of 6 assignments used, quality = 0.99: * QE PHE 43 + QD PHE 43 OK 99 99 - 100 - 2.2=100 HZ PHE 67 - QD PHE 43 OK 41 100 - 42 - 5574=10, 5576/3.8=7...(9) HH2 TRP 17 - QD PHE 43 lone 9 99 - 9 - 5533/3.8=2, ~5525=2...(5) HD22 ASN 130 - QD PHE 43 lone 7 100 - 7 - 9809/10633=2 HD22 ASN 128 - QD PHE 43 lone 4 100 - 4 - HZ PHE 45 - QD PHE 43 lone 2 88 - 2 - Peak 5574 from cnoeabs.peaks (7.35, 7.00, 129.93 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.98: * QD PHE 43 + QE PHE 43 OK 98 98 - 100 - 2.2=100 QD PHE 43 - HZ PHE 67 OK 29 99 - 30 - 4572=8, 3.8/5576=5...(9) H ARG 109 - QE PHE 43 lone 8 90 - 8 - ~3517=3, 966/4.8=2...(4) H GLY 77 - QE PHE 43 lone 5 84 - 6 - 8673/4745=2, 10826/4.8=1 H ARG 109 - HZ PHE 67 lone 2 92 - 2 - H GLY 77 - HZ PHE 67 lone 1 86 - 1 - Peak 5575 from cnoeabs.peaks (7.00, 7.00, 129.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HZ PHE 67 + HZ PHE 67 OK 99 99 - 100 * QE PHE 43 + QE PHE 43 OK 97 97 - 100 Peak 5576 from cnoeabs.peaks (6.71, 7.00, 129.93 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.97: * HZ PHE 43 + QE PHE 43 OK 97 97 - 100 - 2.2=100 HZ PHE 43 - HZ PHE 67 OK 33 98 - 34 - 4578=6, 3.8/5572=6...(8) QE TYR 70 - QE PHE 43 lone 3 90 - 3 - 8260/11222=1 QE TYR 70 - HZ PHE 67 lone 1 92 - 1 - Peak 5578 from cnoeabs.peaks (7.00, 6.71, 128.07 ppm; 6.00 A): 2 out of 6 assignments used, quality = 0.99: * QE PHE 43 + HZ PHE 43 OK 97 97 - 100 - 2.2=100 HZ PHE 67 + HZ PHE 43 OK 56 98 - 57 - 5576=12, 5572/3.8=11...(11) HH2 TRP 17 - HZ PHE 43 OK 16 97 - 16 - ~5525=3, ~4525=3...(6) HD22 ASN 130 - HZ PHE 43 OK 11 98 - 11 - 10632/10634=2...(6) HD22 ASN 128 - HZ PHE 43 lone 8 98 - 7 - ~4340=2, ~4346=1, 5572/3.8=1 HZ PHE 45 - HZ PHE 43 lone 4 85 - 5 - ~4588=1 Peak 5579 from cnoeabs.peaks (6.71, 6.71, 128.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ PHE 43 + HZ PHE 43 OK 98 98 - 100 Peak 5580 from cnoeabs.peaks (4.22, 7.23, 132.28 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.93: * HA PHE 45 + QD PHE 45 OK 73 73 - 100 - 3.1=100 HA ILE 101 + QD PHE 45 OK 51 69 - 74 - 1011/4.2=15, 1014/2.4=15...(18) HA THR 102 + QD PHE 45 OK 33 72 - 46 - 1024/2.4=6, 1033/2.4=6...(19) HA LYS 93 + QD PHE 45 OK 24 73 - 33 - 10105/9000=4, 6365/4.2=4...(14) HA LYS 85 - QD PHE 45 OK 22 67 - 32 - 1033/2.4=4, 1024/2.4=4...(14) HB THR 102 - QD PHE 45 OK 14 39 - 35 - ~1024=5, ~1033=4...(15) HA ALA 134 - QD PHE 45 OK 10 62 - 17 - 9650/9880=2, 1033/2.4=2...(9) Peak 5581 from cnoeabs.peaks (3.51, 7.23, 132.28 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.82: * HB2 PHE 45 + QD PHE 45 OK 73 73 - 100 - 2.4=100 HA2 GLY 77 + QD PHE 45 OK 31 73 - 42 - 1034/2.4=12, ~2344=8...(7) Peak 5582 from cnoeabs.peaks (3.46, 7.23, 132.28 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.89: * HB3 PHE 45 + QD PHE 45 OK 73 73 - 100 - 2.4=100 HA LEU 42 + QD PHE 45 OK 36 42 - 86 - 3.9/10717=34...(9) HB2 TYR 117 + QD PHE 45 OK 33 53 - 62 - ~4760=38, ~3916=10...(9) Peak 5583 from cnoeabs.peaks (7.23, 7.23, 132.28 ppm; diagonal): 1 out of 1 assignment used, quality = 0.62: * QD PHE 45 + QD PHE 45 OK 62 62 - 100 Peak 5584 from cnoeabs.peaks (7.13, 7.23, 132.28 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.67: * QE PHE 45 + QD PHE 45 OK 62 62 - 100 - 2.2=100 QD PHE 106 + QD PHE 45 OK 13 62 - 21 - 5590/3.8=5, ~4645=4...(10) Peak 5586 from cnoeabs.peaks (7.23, 7.13, 130.92 ppm; 3.23 A): 2 out of 8 assignments used, quality = 0.67: * QD PHE 45 + QE PHE 45 OK 62 62 - 100 - 2.2=100 HZ PHE 106 + QD PHE 106 OK 14 21 - 67 - 3.8=61, 3434/2.5=6...(4) HE3 TRP 17 - QE PHE 45 poor 6 49 - 12 - ~4522=2, ~5522=2...(5) H GLU 37 - QE PHE 45 poor 5 42 - 13 - 1027/4.4=3, 1036/4.4=2...(5) QD PHE 45 - QD PHE 106 poor 5 32 - 15 - 5584=4, 3.8/5590=3...(5) HZ PHE 106 - QE PHE 45 poor 4 42 - 11 - 2.2/4645=5, 4648=1, 5589/2.2=1 HE3 TRP 17 - QD PHE 106 lone 1 25 - 2 - H GLU 37 - QD PHE 106 lone 0 21 - 2 - Peak 5587 from cnoeabs.peaks (7.13, 7.13, 130.92 ppm; diagonal): 2 out of 2 assignments used, quality = 0.74: * QE PHE 45 + QE PHE 45 OK 62 62 - 100 QD PHE 106 + QD PHE 106 OK 32 32 - 100 Peak 5588 from cnoeabs.peaks (7.01, 7.13, 130.92 ppm; 3.90 A): 2 out of 12 assignments used, quality = 0.76: * HZ PHE 45 + QE PHE 45 OK 73 73 - 100 - 2.2=100 HZ PHE 45 + QD PHE 106 OK 11 39 - 28 - 5590=10, 3.8/5584=4...(11) HH2 TRP 17 - QE PHE 45 poor 6 46 - 14 - ~4522=3, ~5522=3...(6) HD22 ASN 130 - QE PHE 45 lone 5 59 - 9 - 3.4/10836=3, ~4429=1, ~4422=1 HZ PHE 67 - QE PHE 45 lone 3 53 - 5 - 10243/9446=1 HD22 ASN 128 - QE PHE 45 lone 2 59 - 4 - QE PHE 43 - QE PHE 45 lone 2 46 - 4 - 10737/10738=1 HH2 TRP 17 - QD PHE 106 lone 1 23 - 5 - 5534/2.2=2, ~4778=1 HZ PHE 67 - QD PHE 106 lone 1 27 - 3 - HD22 ASN 130 - QD PHE 106 lone 0 31 - 1 - QE PHE 43 - QD PHE 106 lone 0 23 - 1 - HD22 ASN 128 - QD PHE 106 lone 0 31 - 1 - Peak 5589 from cnoeabs.peaks (7.23, 7.01, 129.35 ppm; 5.90 A): 1 out of 4 assignments used, quality = 0.91: * QD PHE 45 + HZ PHE 45 OK 91 91 - 100 - 3.8=100 H GLU 37 - HZ PHE 45 OK 21 67 - 31 - 5586/2.2=10, 1027/5.8=7...(7) HZ PHE 106 - HZ PHE 45 OK 20 67 - 29 - 3.8/5590=9, ~4645=6...(8) HE3 TRP 17 - HZ PHE 45 OK 15 77 - 19 - 1036/5.8=4, 1027/5.8=3...(7) Peak 5590 from cnoeabs.peaks (7.13, 7.01, 129.35 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.93: * QE PHE 45 + HZ PHE 45 OK 91 91 - 100 - 2.2=100 QD PHE 106 + HZ PHE 45 OK 24 91 - 26 - 5588=5, 5584/3.8=4...(11) Peak 5591 from cnoeabs.peaks (7.01, 7.01, 129.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 5592 from cnoeabs.peaks (4.19, 6.82, 131.00 ppm; 6.05 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 67 + QD PHE 67 OK 100 100 - 100 - 3.7=100 HA PHE 43 - QD PHE 67 OK 38 99 - 38 - 1934/2.6=12, 1942/2.6=11...(5) HA CYS 121 - QD PHE 67 OK 21 91 - 23 - 1942/2.6=6, 1934/2.6=6...(5) Peak 5594 from cnoeabs.peaks (2.95, 6.82, 131.00 ppm; 5.63 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 67 + QD PHE 67 OK 100 100 - 100 - 2.6=100 HB2 TYR 115 + QD PHE 67 OK 64 100 - 65 - 3843/4.3=10, 1936/2.6=10...(17) HB2 PHE 106 - QD PHE 67 OK 28 100 - 28 - 1936/2.6=4, 1925/3.7=4...(11) HE2 LYS 85 - QD PHE 67 OK 20 99 - 20 - 1936/2.6=3, 1925/3.7=3...(6) HE3 LYS 85 - QD PHE 67 OK 17 91 - 19 - 1936/2.6=3, ~1936=3...(6) HE2 LYS 48 - QD PHE 67 OK 17 100 - 17 - 1936/2.6=3, 6667/4.8=2...(6) HE3 LYS 48 - QD PHE 67 OK 16 98 - 16 - 1936/2.6=3, ~1936=2...(6) HE2 LYS 93 - QD PHE 67 OK 12 100 - 12 - 1936/2.6=2, 6667/4.8=2...(6) HE3 LYS 93 - QD PHE 67 poor 8 77 - 10 - ~1936=2, ~1936=2, 1936/2.6=2 Peak 5595 from cnoeabs.peaks (6.82, 6.82, 131.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 67 + QD PHE 67 OK 100 100 - 100 Peak 5596 from cnoeabs.peaks (7.06, 6.82, 131.00 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * QE PHE 67 + QD PHE 67 OK 100 100 - 100 - 2.2=100 H MET 68 + QD PHE 67 OK 60 72 - 84 - 4.8=56, 1948/2.6=22...(11) HD1 TRP 17 - QD PHE 67 OK 16 99 - 16 - 3.9/4691=7, ~6055=5...(4) Peak 5597 from cnoeabs.peaks (7.00, 6.82, 131.00 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HZ PHE 67 + QD PHE 67 OK 100 100 - 100 - 3.8=100 HH2 TRP 17 + QD PHE 67 OK 50 100 - 50 - ~5526=12, ~5521=10...(10) QE PHE 43 - QD PHE 67 OK 25 100 - 25 - 5602/2.2=10, 4601=5...(5) HD22 ASN 130 - QD PHE 67 lone 2 100 - 2 - HZ PHE 45 - QD PHE 67 lone 2 85 - 2 - HD22 ASN 128 - QD PHE 67 lone 1 100 - 1 - Peak 5598 from cnoeabs.peaks (6.82, 7.06, 131.03 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 67 + QE PHE 67 OK 100 100 - 100 - 2.2=100 HZ2 TRP 88 - QE PHE 67 OK 44 99 - 44 - 1937/4.4=7, 1945/4.4=7...(10) HE21 GLN 133 - QE PHE 67 poor 10 77 - 12 - 9610/9836=3, 1945/4.4=2...(6) Peak 5599 from cnoeabs.peaks (7.06, 7.06, 131.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 67 + QE PHE 67 OK 100 100 - 100 Peak 5600 from cnoeabs.peaks (7.00, 7.06, 131.03 ppm; 3.79 A): 3 out of 6 assignments used, quality = 1.00: * HZ PHE 67 + QE PHE 67 OK 100 100 - 100 - 2.2=100 HH2 TRP 17 + QE PHE 67 OK 51 100 - 51 - 2.5/5526=18, 2.4/5521=13...(10) QE PHE 43 + QE PHE 67 OK 48 100 - 48 - 5602=12, 10632/9836=6...(14) HD22 ASN 130 - QE PHE 67 lone 3 100 - 3 - 10632/9836=1 HZ PHE 45 - QE PHE 67 lone 3 85 - 4 - HD22 ASN 128 - QE PHE 67 lone 2 100 - 2 - Peak 5601 from cnoeabs.peaks (6.82, 7.00, 129.88 ppm; 6.52 A): 2 out of 6 assignments used, quality = 1.00: * QD PHE 67 + HZ PHE 67 OK 100 100 - 100 - 3.8=100 HZ2 TRP 88 + HZ PHE 67 OK 46 99 - 46 - 5598/2.2=16, 1937/5.8=11...(6) QD PHE 67 - QE PHE 43 OK 40 98 - 40 - 2.2/5602=12...(7) HE21 GLN 133 - HZ PHE 67 OK 15 77 - 19 - 5598/2.2=3, 1945/5.8=3...(7) HZ2 TRP 88 - QE PHE 43 poor 10 96 - 10 - 9838/10632=2...(3) HE21 GLN 133 - QE PHE 43 lone 5 73 - 7 - 9610/10632=2, 9665/4744=1 Peak 5602 from cnoeabs.peaks (7.06, 7.00, 129.88 ppm; 3.83 A): 2 out of 6 assignments used, quality = 1.00: * QE PHE 67 + HZ PHE 67 OK 100 100 - 100 - 2.2=100 QE PHE 67 + QE PHE 43 OK 47 98 - 48 - 5600=11, 9836/10632=6...(14) H MET 68 - HZ PHE 67 OK 19 72 - 26 - 1948/5.8=9, 6668/3.8=8...(5) HD1 TRP 17 - HZ PHE 67 OK 14 99 - 14 - ~6055=4, 5.0/4530=4...(5) H MET 68 - QE PHE 43 lone 6 68 - 9 - 3.6/9911=3, 4.8/4601=2 HD1 TRP 17 - QE PHE 43 lone 3 97 - 3 - Peak 5603 from cnoeabs.peaks (7.00, 7.00, 129.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 67 + HZ PHE 67 OK 100 100 - 100 QE PHE 43 + QE PHE 43 OK 98 98 - 100 Peak 5604 from cnoeabs.peaks (4.33, 7.08, 133.19 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 70 + QD TYR 70 OK 100 100 - 100 - 3.1=100 HA PRO 12 + QD TYR 70 OK 77 100 - 77 - ~9937=31, 2063/2.6=17...(9) HA ILE 56 - QD TYR 70 OK 42 62 - 67 - 4.2/4693=39, ~10606=20...(9) Peak 5605 from cnoeabs.peaks (3.15, 7.08, 133.19 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.6=100 HA LEU 39 + QD TYR 70 OK 64 96 - 66 - 2072/2.6=12, 2054/3.1=10...(14) HA VAL 80 - QD TYR 70 OK 39 72 - 54 - ~8761=14, ~8761=8...(15) HB2 TRP 17 - QD TYR 70 OK 26 96 - 26 - ~186=7, 2072/2.6=5...(7) Peak 5606 from cnoeabs.peaks (2.73, 7.08, 133.19 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HB3 TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.6=100 HB2 PHE 38 + QD TYR 70 OK 76 100 - 76 - ~11543=31, 2065/2.6=11...(15) HB3 GLU 120 + QD TYR 70 OK 49 100 - 49 - 2065/2.6=7, 2055/3.1=6...(15) HB3 MET 46 - QD TYR 70 OK 39 92 - 43 - 2065/2.6=7, 2055/3.1=7...(12) HB2 ASN 96 - QD TYR 70 OK 36 89 - 41 - 3.0/4697=22, ~3169=4...(9) HB2 ASN 84 - QD TYR 70 OK 16 72 - 22 - 2055/3.1=3, 2065/2.6=3...(8) Peak 5607 from cnoeabs.peaks (7.08, 7.08, 133.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 70 + QD TYR 70 OK 100 100 - 100 Peak 5608 from cnoeabs.peaks (6.70, 7.08, 133.19 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.2=100 QE TYR 27 - QD TYR 70 lone 5 77 - 7 - 11180/9804=4, ~11176=1 HZ PHE 43 - QD TYR 70 lone 4 89 - 4 - 8260/4693=2 Peak 5609 from cnoeabs.peaks (7.08, 6.70, 117.94 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 70 + QE TYR 70 OK 100 100 - 100 - 2.2=100 H MET 68 - QE TYR 70 lone 6 81 - 7 - 6678/6.3=3, 2066/4.5=2, ~1949=2 Peak 5610 from cnoeabs.peaks (6.70, 6.70, 117.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 70 + QE TYR 70 OK 100 100 - 100 Peak 5611 from cnoeabs.peaks (4.17, 7.49, 128.32 ppm; 6.42 A): 1 out of 7 assignments used, quality = 0.99: * HA TRP 88 + HD1 TRP 88 OK 99 99 - 100 - 4.6=100 HA LEU 64 - HD1 TRP 88 OK 33 99 - 33 - 2840/3.9=11, 2830/3.9=10...(5) HA PHE 38 - HD1 TRP 88 OK 26 99 - 27 - 2830/3.9=7, 2840/3.9=7...(6) HA GLU 120 - HD1 TRP 88 OK 18 93 - 19 - 2830/3.9=4, 2840/3.9=4...(6) HG1 THR 74 - HD1 TRP 88 OK 16 99 - 16 - 2840/3.9=4, 2830/3.9=3...(5) HB3 SER 44 - HD1 TRP 88 lone 5 83 - 6 - 11061/5.1=1 HB2 SER 44 - HD1 TRP 88 lone 5 83 - 6 - 11061/5.1=1 Peak 5612 from cnoeabs.peaks (3.30, 7.49, 128.32 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TRP 88 + HD1 TRP 88 OK 99 99 - 100 - 3.9=100 HD3 ARG 109 + HD1 TRP 88 OK 48 99 - 49 - 8916/2.6=16...(9) HD2 ARG 124 - HD1 TRP 88 OK 17 99 - 17 - 2841/3.9=5, 2819/4.6=5...(4) HB3 TRP 17 - HD1 TRP 88 lone 4 83 - 5 - Peak 5613 from cnoeabs.peaks (3.07, 7.49, 128.32 ppm; 4.57 A): 1 out of 10 assignments used, quality = 0.99: * HB3 TRP 88 + HD1 TRP 88 OK 99 99 - 100 - 3.9=100 HD3 ARG 49 - HD1 TRP 88 OK 28 80 - 36 - 8917/2.6=7, 10669=6...(9) HB2 TYR 27 - HD1 TRP 88 OK 12 90 - 13 - 2832/3.9=5, 2820/4.6=3...(4) HE2 LYS 86 - HD1 TRP 88 lone 7 99 - 7 - 7017/5.4=2, 2820/4.6=1...(4) HE3 LYS 86 - HD1 TRP 88 lone 7 98 - 7 - 7017/5.4=2, 2820/4.6=1...(4) HA TYR 119 - HD1 TRP 88 poor 7 61 - 12 - 10303/5.1=3, 8917/2.6=3...(4) HA2 GLY 78 - HD1 TRP 88 lone 6 71 - 9 - 2832/3.9=2, 2820/4.6=2...(4) HB3 ASP 30 - HD1 TRP 88 lone 2 99 - 2 - HE3 LYS 34 - HD1 TRP 88 lone 2 87 - 2 - HE2 LYS 34 - HD1 TRP 88 lone 1 71 - 2 - Peak 5614 from cnoeabs.peaks (7.49, 7.49, 128.32 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 88 + HD1 TRP 88 OK 99 99 - 100 Peak 5620 from cnoeabs.peaks (7.20, 7.20, 120.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 88 + HE3 TRP 88 OK 100 100 - 100 Peak 5621 from cnoeabs.peaks (6.53, 7.20, 120.15 ppm; 5.76 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HE3 TRP 88 OK 100 100 - 100 - 2.5=100 Peak 5626 from cnoeabs.peaks (6.53, 6.53, 121.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HZ3 TRP 88 OK 100 100 - 100 Peak 5631 from cnoeabs.peaks (6.53, 6.83, 113.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.99: * HZ3 TRP 88 + HZ2 TRP 88 OK 99 99 - 100 - 4.3=100 Peak 5632 from cnoeabs.peaks (6.83, 6.83, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ2 TRP 88 + HZ2 TRP 88 OK 99 99 - 100 Peak 5633 from cnoeabs.peaks (6.43, 6.83, 113.40 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 88 + HZ2 TRP 88 OK 99 99 - 100 - 2.5=100 Peak 5636 from cnoeabs.peaks (6.53, 6.43, 122.14 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HH2 TRP 88 OK 100 100 - 100 - 2.4=100 Peak 5637 from cnoeabs.peaks (6.83, 6.43, 122.14 ppm; 5.76 A): 2 out of 3 assignments used, quality = 1.00: * HZ2 TRP 88 + HH2 TRP 88 OK 100 100 - 100 - 2.5=100 QD PHE 67 + HH2 TRP 88 OK 59 98 - 61 - ~4598=11, ~1937=11...(14) HD22 ASN 54 - HH2 TRP 88 poor 9 77 - 12 - 9267/9268=3...(5) Peak 5638 from cnoeabs.peaks (6.43, 6.43, 122.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 88 + HH2 TRP 88 OK 99 99 - 100 Peak 5639 from cnoeabs.peaks (3.96, 7.14, 131.28 ppm; 5.04 A): 2 out of 6 assignments used, quality = 0.99: * HA PHE 106 + QD PHE 106 OK 95 95 - 100 - 3.7=100 HB3 SER 103 + QD PHE 106 OK 82 95 - 87 - 10145/2.5=32, 10189=27...(12) HA LYS 48 - QD PHE 106 OK 22 87 - 25 - 7251/5.0=5, 3431/2.5=4...(6) HA ALA 60 - QD PHE 106 lone 7 93 - 8 - 3439/2.5=1, 7251/5.0=1...(4) HA3 GLY 94 - QD PHE 106 lone 7 93 - 8 - 3439/2.5=2, 3431/2.5=2...(4) HA3 GLY 143 - QD PHE 106 lone 2 70 - 3 - Peak 5640 from cnoeabs.peaks (2.95, 7.14, 131.28 ppm; 5.30 A): 1 out of 9 assignments used, quality = 0.96: * HB2 PHE 106 + QD PHE 106 OK 96 96 - 100 - 2.5=100 HE2 LYS 48 - QD PHE 106 OK 31 95 - 32 - 3421/3.7=6, 3440/2.5=5...(8) HB3 PHE 67 - QD PHE 106 OK 30 96 - 31 - ~1936=3, ~1936=3...(14) HE3 LYS 48 - QD PHE 106 OK 29 92 - 32 - 3421/3.7=6, 3440/2.5=5...(8) HE2 LYS 85 - QD PHE 106 OK 20 94 - 22 - 3421/3.7=3, 3440/2.5=3...(6) HE3 LYS 85 - QD PHE 106 OK 18 84 - 21 - 3421/3.7=3, 3440/2.5=3...(6) HB2 TYR 115 - QD PHE 106 OK 15 95 - 15 - ~3849=2, 3440/2.5=2...(10) HE2 LYS 93 - QD PHE 106 OK 13 95 - 13 - 3421/3.7=2, 3440/2.5=2...(6) HE3 LYS 93 - QD PHE 106 poor 9 70 - 12 - ~3440=2, ~3440=2...(5) Peak 5641 from cnoeabs.peaks (3.12, 7.14, 131.28 ppm; 5.03 A): 3 out of 8 assignments used, quality = 0.99: * HB3 PHE 106 + QD PHE 106 OK 96 96 - 100 - 2.5=100 HD3 ARG 145 + QD PHE 106 OK 56 90 - 62 - 3.4/10385=18...(18) HD2 ARG 145 + QD PHE 106 OK 54 87 - 62 - 3.4/10385=18...(18) HA ALA 105 - QD PHE 106 OK 45 60 - 74 - 3.6/7241=27...(10) HD2 ARG 109 - QD PHE 106 OK 38 78 - 49 - 3.0/10732=12, 3422/3.7=7...(20) HA VAL 80 - QD PHE 106 OK 24 70 - 34 - 3.2/9955=11, 3433/2.5=3...(13) HA LEU 79 - QD PHE 106 OK 20 95 - 20 - 4.0/9979=6, 3.8/8716=2...(9) HB3 ASN 96 - QD PHE 106 lone 5 70 - 8 - Peak 5642 from cnoeabs.peaks (7.14, 7.14, 131.28 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QD PHE 106 + QD PHE 106 OK 93 93 - 100 Peak 5643 from cnoeabs.peaks (7.28, 7.14, 131.28 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.95: * QE PHE 106 + QD PHE 106 OK 95 95 - 100 - 2.2=100 H PHE 67 - QD PHE 106 lone 5 84 - 6 - 3.7/5640=1, 6655/2.5=1 HZ2 TRP 17 - QD PHE 106 lone 5 95 - 5 - ~5534=1 Peak 5645 from cnoeabs.peaks (7.14, 7.28, 131.68 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.95: * QD PHE 106 + QE PHE 106 OK 95 95 - 100 - 2.2=100 QD TYR 117 - QE PHE 106 OK 28 95 - 30 - 5648/2.2=5, 3442/4.4=4...(12) Peak 5646 from cnoeabs.peaks (7.28, 7.28, 131.68 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE PHE 106 + QE PHE 106 OK 97 97 - 100 Peak 5648 from cnoeabs.peaks (7.14, 7.24, 130.21 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.75: * QD PHE 106 + HZ PHE 106 OK 70 76 - 93 - 3.8=90, 2.5/3434=10...(5) QD TYR 117 + HZ PHE 106 OK 16 76 - 21 - 5645/2.2=9, 3442/5.8=4...(5) Peak 5649 from cnoeabs.peaks (7.28, 7.24, 130.21 ppm; 2.51 A): 1 out of 3 assignments used, quality = 0.79: * QE PHE 106 + HZ PHE 106 OK 79 79 - 100 - 2.2=100 HZ2 TRP 17 - HZ PHE 106 lone 2 78 - 3 - H PHE 67 - HZ PHE 106 lone 1 67 - 1 - Peak 5650 from cnoeabs.peaks (7.24, 7.24, 130.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: * HZ PHE 106 + HZ PHE 106 OK 78 78 - 100 Peak 5651 from cnoeabs.peaks (3.91, 6.93, 133.83 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 112 + QD TYR 112 OK 100 100 - 100 - 3.7=100 HD3 PRO 98 + QD TYR 112 OK 55 68 - 82 - ~3271=12, ~3263=12...(17) HA MET 46 - QD TYR 112 OK 28 81 - 34 - 10993/8457=9, 7378/4.9=6...(8) HD2 PRO 129 - QD TYR 112 OK 24 81 - 30 - 3666/2.7=8, 3674/2.7=8...(4) Peak 5652 from cnoeabs.peaks (3.25, 6.93, 133.83 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 112 + QD TYR 112 OK 100 100 - 100 - 2.7=100 HD2 PRO 52 + QD TYR 112 OK 79 100 - 79 - 3675/2.7=18, 3656/3.7=16...(13) HD2 ARG 89 - QD TYR 112 OK 27 98 - 27 - 3675/2.7=6, 3656/3.7=6...(8) Peak 5653 from cnoeabs.peaks (3.41, 6.93, 133.83 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 112 + QD TYR 112 OK 100 100 - 100 - 2.7=100 HA THR 74 + QD TYR 112 OK 81 89 - 91 - 8560/2.2=40...(21) HD2 PRO 98 + QD TYR 112 OK 59 68 - 88 - ~3247=12, 3668/2.7=12...(20) Peak 5654 from cnoeabs.peaks (6.93, 6.93, 133.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 112 + QD TYR 112 OK 100 100 - 100 Peak 5656 from cnoeabs.peaks (6.93, 6.77, 118.24 ppm; 4.64 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QD TYR 112 - QE TYR 112 Peak 5657 from cnoeabs.peaks (6.77, 6.77, 118.24 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QE TYR 112 - QE TYR 112 Peak 5658 from cnoeabs.peaks (4.50, 7.31, 132.50 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.76: HA ASP 13 + QD TYR 115 OK 76 100 - 77 - 3848/2.5=18, 3840/2.5=18...(13) Reference assignment not found: HA TYR 115 - QD TYR 115 Peak 5659 from cnoeabs.peaks (2.95, 7.31, 132.50 ppm; 4.89 A): 2 out of 10 assignments used, quality = 1.00: * HB2 TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.5=100 HB3 PHE 67 + QD TYR 115 OK 60 100 - 60 - 1941=16, 3.0/1922=11...(16) HE2 LYS 48 - QD TYR 115 OK 23 100 - 23 - 3.6/4726=4, 3849/2.5=3...(7) HE3 LYS 48 - QD TYR 115 OK 22 99 - 22 - 3.6/4726=4, 3849/2.5=3...(7) HE2 LYS 93 - QD TYR 115 OK 19 100 - 19 - 3849/2.5=2, 3833/3.7=2...(7) HE2 LYS 85 - QD TYR 115 OK 18 100 - 18 - 3849/2.5=2, 3833/3.7=2...(6) HE3 LYS 85 - QD TYR 115 OK 16 94 - 17 - 3849/2.5=2, 3833/3.7=2...(6) HB2 PHE 106 - QD TYR 115 OK 16 100 - 16 - 3849/2.5=2, 3833/3.7=2...(8) HE3 LYS 93 - QD TYR 115 OK 14 81 - 17 - ~9353=2, ~4719=2...(8) HB3 ASN 130 - QD TYR 115 lone 3 62 - 5 - Peak 5660 from cnoeabs.peaks (2.69, 7.31, 132.50 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HB3 TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.5=100 HB3 ASP 13 + QD TYR 115 OK 89 98 - 91 - 3.0/4658=50, ~3848=14...(17) HB2 ASP 32 + QD TYR 115 OK 65 100 - 66 - 3842/2.5=12, 3834/3.7=12...(15) HB2 PHE 43 + QD TYR 115 OK 50 99 - 50 - 3842/2.5=8, 3834/3.7=7...(15) HB2 ASP 137 - QD TYR 115 OK 42 98 - 42 - 4.5/9714=7, 3842/2.5=6...(14) HB3 ASP 16 - QD TYR 115 OK 28 94 - 28 - ~152=3, ~160=3...(11) Peak 5661 from cnoeabs.peaks (7.31, 7.31, 132.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 115 + QD TYR 115 OK 100 100 - 100 Peak 5662 from cnoeabs.peaks (7.16, 7.31, 132.50 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.2=100 QD TYR 117 - QD TYR 115 OK 12 62 - 19 - 10287/4.8=3...(8) Peak 5663 from cnoeabs.peaks (7.31, 7.16, 118.50 ppm; 2.94 A): 1 out of 4 assignments used, quality = 0.99: * QD TYR 115 + QE TYR 115 OK 99 99 - 100 - 2.2=100 H ASP 30 - QE TYR 115 OK 27 99 - 28 - 5663=5, 4.8/9356=4...(9) H ARG 35 - QE TYR 115 OK 17 96 - 17 - 3.6/4718=2, ~581=2...(4) H PHE 67 - QE TYR 115 OK 13 61 - 21 - 5663=4, ~1922=2...(9) Peak 5664 from cnoeabs.peaks (7.16, 7.16, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QE TYR 115 + QE TYR 115 OK 99 99 - 100 Peak 5665 from cnoeabs.peaks (4.75, 7.14, 133.16 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.86: * HA TYR 117 + QD TYR 117 OK 86 86 - 100 - 3.7=100 Peak 5666 from cnoeabs.peaks (3.45, 7.14, 133.16 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.95: * HB2 TYR 117 + QD TYR 117 OK 86 86 - 100 - 2.7=100 HB3 PHE 45 + QD TYR 117 OK 44 59 - 73 - 11047/4.6=38...(8) HA LEU 42 + QD TYR 117 OK 35 84 - 42 - 3916/2.7=10...(6) Peak 5667 from cnoeabs.peaks (3.22, 7.14, 133.16 ppm; 6.18 A): 5 out of 6 assignments used, quality = 0.95: * HB3 TYR 117 + QD TYR 117 OK 86 86 - 100 - 2.7=100 HG3 MET 46 + QD TYR 117 OK 30 84 - 36 - 3911/2.7=8, 7458/4.5=6...(8) HD3 ARG 140 + QD TYR 117 OK 21 85 - 24 - 3911/2.7=5, ~3911=4...(4) HD2 ARG 140 + QD TYR 117 OK 20 81 - 24 - 3911/2.7=5, ~3911=4...(4) HD3 ARG 124 + QD TYR 117 OK 19 85 - 22 - 3911/2.7=4, 8726/8716=3...(11) HD3 ARG 141 - QD TYR 117 lone 2 59 - 3 - Peak 5668 from cnoeabs.peaks (7.14, 7.14, 133.16 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: * QD TYR 117 + QD TYR 117 OK 81 81 - 100 Peak 5669 from cnoeabs.peaks (6.56, 7.14, 133.16 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.84: * QE TYR 117 + QD TYR 117 OK 84 84 - 100 - 2.2=100 HE22 GLN 22 - QD TYR 117 lone 5 51 - 10 - ~9408=6, ~10984=2 Peak 5670 from cnoeabs.peaks (7.14, 6.56, 118.44 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.96: * QD TYR 117 + QE TYR 117 OK 95 95 - 100 - 2.2=100 QD PHE 106 + QE TYR 117 OK 36 97 - 37 - ~3442=6, ~3434=6...(12) Peak 5671 from cnoeabs.peaks (6.56, 6.56, 118.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE TYR 117 + QE TYR 117 OK 97 97 - 100 Peak 5675 from cnoeabs.peaks (6.31, 6.31, 132.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD TYR 119 + QD TYR 119 OK 99 99 - 100 Peak 5676 from cnoeabs.peaks (6.24, 6.31, 132.38 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.99: * QE TYR 119 + QD TYR 119 OK 99 99 - 100 - 2.2=100 Peak 5677 from cnoeabs.peaks (6.31, 6.24, 117.38 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + QE TYR 119 OK 100 100 - 100 - 2.2=100 Peak 5678 from cnoeabs.peaks (6.24, 6.24, 117.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 119 + QE TYR 119 OK 100 100 - 100 Peak 8001 from cnoeabs.peaks (2.42, 3.58, 50.40 ppm; 5.36 A): 3 out of 8 assignments used, quality = 0.64: HB3 PRO 118 + HD2 PRO 12 OK 43 100 - 43 - 10666/2.3=6, 11051/2.3=5...(19) HG2 MET 68 + HD2 PRO 12 OK 27 89 - 30 - 10666/2.3=5, 15/3.8=4...(12) HB3 PRO 33 + HD2 PRO 12 OK 14 72 - 20 - 21/4.8=4, 27/4.8=4...(8) HG3 GLN 47 - HD2 PRO 12 lone 8 99 - 8 - 10666/2.3=2, ~10666=2 HG2 GLN 47 - HD2 PRO 12 lone 8 99 - 8 - 10666/2.3=2, ~10666=2 HG2 GLN 133 - HD2 PRO 12 lone 8 100 - 8 - 10666/2.3=2, ~10666=2 HG3 GLN 133 - HD2 PRO 12 lone 8 100 - 7 - 10666/2.3=2, ~10666=2...(4) QE MET 46 - HD2 PRO 12 lone 4 99 - 4 - 10666/2.3=2 Peak 8003 from cnoeabs.peaks (2.52, 4.33, 63.12 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.55: HB2 ASP 13 + HA PRO 12 OK 55 89 - 62 - 3.8/75=40, 10951=20...(4) Peak 8005 from cnoeabs.peaks (1.96, 4.49, 53.68 ppm; 3.75 A): 3 out of 6 assignments used, quality = 0.79: HB2 LYS 61 + HA ASP 13 OK 71 100 - 71 - 1.8/8006=23, 3.0/9772=19...(12) HB ILE 56 + HA ASP 13 OK 15 99 - 15 - 8007/3.0=5, 3.0/10602=5, ~8024=1 HB3 MET 11 + HA ASP 13 OK 14 100 - 14 - 4.2/10590=9, 8007/3.0=3 HB3 PRO 98 - HA ASP 13 lone 8 92 - 9 - 8005=2, 1651/9772=2...(4) HB2 LYS 34 - HA ASP 13 lone 6 99 - 6 - 8007/3.0=1 HB3 ARG 124 - HA ASP 13 lone 3 62 - 5 - 8007/3.0=2 Peak 8006 from cnoeabs.peaks (2.09, 4.49, 53.68 ppm; 4.08 A): 0 out of 10 assignments used, low quality = 0.00: HG2 PRO 118 - HA ASP 13 lone 7 100 - 7 - 2.3/8005=1, 10489/10488=1 HB2 GLU 131 - HA ASP 13 lone 6 100 - 6 - 9855=2, 1672/9772=1, 1663/8005=1 HB3 LYS 36 - HA ASP 13 lone 6 100 - 6 - 10784/4658=3, 3.0/9773=1 HG3 PRO 33 - HA ASP 13 lone 5 100 - 5 - ~10991=1, ~10989=1 HG2 PRO 33 - HA ASP 13 lone 5 85 - 6 - 10809/4658=2, ~10991=1, ~10989=1 HB VAL 53 - HA ASP 13 lone 5 92 - 5 - ~8241=2, ~8241=1 HG2 GLU 122 - HA ASP 13 lone 3 77 - 4 - 3.0/8005=1 HB3 GLU 142 - HA ASP 13 lone 3 94 - 3 - 4845/10501=1 HB2 PRO 129 - HA ASP 13 lone 2 72 - 3 - HB3 GLN 25 - HA ASP 13 lone 1 96 - 1 - Peak 8007 from cnoeabs.peaks (1.96, 2.52, 40.83 ppm; 4.72 A): 3 out of 6 assignments used, quality = 0.87: HB2 LYS 61 + HB2 ASP 13 OK 79 100 - 79 - 8005/3.0=24, ~8006=18...(14) HB ILE 56 + HB2 ASP 13 OK 26 99 - 27 - 8007=13, 8005/3.0=5...(5) HB3 MET 11 + HB2 ASP 13 OK 19 100 - 19 - 4.2/8007=12, 8005/3.0=5 HB2 LYS 34 - HB2 ASP 13 lone 8 99 - 8 - 8005/3.0=2, 9796/10952=2...(4) HB3 ARG 124 - HB2 ASP 13 poor 7 62 - 11 - 8007=4, 3.0/8008=2...(4) HB3 PRO 98 - HB2 ASP 13 lone 6 92 - 7 - 8005/3.0=3 Peak 8008 from cnoeabs.peaks (1.61, 2.52, 40.83 ppm; 4.52 A): 3 out of 13 assignments used, quality = 0.73: HD3 LYS 61 + HB2 ASP 13 OK 41 62 - 65 - 3.6/8007=15, 1.8/8008=13...(14) HD2 LYS 61 + HB2 ASP 13 OK 41 62 - 65 - 3.6/8007=15, 1.8/8008=13...(14) HB2 LEU 79 + HB2 ASP 13 OK 23 72 - 32 - 3.1/10115=26, 8008=3 HB2 LEU 97 - HB2 ASP 13 lone 6 100 - 6 - 10598/8007=1, ~9768=1 HG3 LYS 36 - HB2 ASP 13 lone 4 62 - 7 - ~8006=3, 8008=2, 9773/3.0=1 HG2 ARG 144 - HB2 ASP 13 lone 3 96 - 4 - ~8022=1 HG3 ARG 144 - HB2 ASP 13 lone 2 92 - 3 - HG2 ARG 141 - HB2 ASP 13 lone 2 100 - 2 - HG LEU 108 - HB2 ASP 13 lone 2 100 - 2 - HB3 LEU 64 - HB2 ASP 13 lone 2 92 - 2 - HG3 LYS 48 - HB2 ASP 13 lone 2 94 - 2 - HG3 ARG 49 - HB2 ASP 13 lone 2 96 - 2 - HB2 LEU 87 - HB2 ASP 13 lone 2 94 - 2 - Peak 8009 from cnoeabs.peaks (3.65, 1.81, 32.13 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.94: HD3 PRO 12 + HB2 MET 11 OK 92 92 - 100 - 4.8=70, 1.8/8010=39...(23) HA THR 92 + HB2 MET 11 OK 28 100 - 28 - ~9024=5, 8017/4.2=5...(9) HA ILE 83 - HB2 MET 11 lone 1 77 - 1 - Peak 8010 from cnoeabs.peaks (3.59, 1.81, 32.13 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.95: HD2 PRO 12 + HB2 MET 11 OK 92 92 - 100 - 4.8=74, 8012/1.8=41...(23) HA2 GLY 31 + HB2 MET 11 OK 36 68 - 53 - 8016/4.2=20, 8012/1.8=14...(6) Peak 8011 from cnoeabs.peaks (3.64, 1.96, 32.13 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.94: HD3 PRO 12 + HB3 MET 11 OK 94 94 - 99 - 4.8=60, 1.8/8012=36...(21) HA THR 92 - HB3 MET 11 OK 21 72 - 29 - 8017/4.2=6, ~9024=5...(9) HD3 PRO 12 - HB2 LYS 34 OK 18 61 - 29 - 3.8/14=7, 4.8/20=6...(8) HA2 GLY 94 - HB3 MET 11 OK 17 100 - 17 - 8017/4.2=4, 8018/3.0=3...(6) HA THR 92 - HB2 LYS 34 lone 4 43 - 9 - ~9026=1, ~7066=1, ~9026=1 HA2 GLY 94 - HB2 LYS 34 lone 2 69 - 3 - Peak 8012 from cnoeabs.peaks (3.59, 1.96, 32.13 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.81: HD2 PRO 12 + HB3 MET 11 OK 61 62 - 98 - 4.8=54, 1.8/8011=30...(22) HA2 GLY 31 + HB3 MET 11 OK 44 94 - 47 - 8016/4.2=21, ~10925=10...(6) HD2 PRO 12 + HB2 LYS 34 OK 10 36 - 29 - 3.8/14=7, 4.8/20=5...(8) HA2 GLY 31 - HB2 LYS 34 lone 6 61 - 10 - 4.9/10519=5, 8016/44=2 Peak 8014 from cnoeabs.peaks (3.59, 2.44, 31.73 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.88: HD2 PRO 12 + HG2 MET 11 OK 71 72 - 98 - 8012/3.0=34, 8010/3.0=33...(19) HA2 GLY 31 + HG2 MET 11 OK 52 89 - 58 - 8016/3.3=34, 8012/3.0=14...(6) HD2 PRO 12 + HB3 PRO 33 OK 12 39 - 32 - 4.8/21=7, 4.8/27=7...(8) HA2 GLY 31 - HB3 PRO 33 poor 9 51 - 18 - 4.9/9781=10, 8016/45=4...(5) Peak 8015 from cnoeabs.peaks (3.59, 2.37, 31.73 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.94: HD2 PRO 12 + HG3 MET 11 OK 91 92 - 99 - 8012/3.0=39, 8010/3.0=39...(18) HA2 GLY 31 + HG3 MET 11 OK 38 68 - 56 - 8016/3.3=30, 8014/1.8=15...(5) Peak 8016 from cnoeabs.peaks (3.60, 2.00, 16.64 ppm; 3.93 A): 0 out of 1 assignment used, low quality = 0.27: HA2 GLY 31 - QE MET 11 OK 27 98 - 28 - 8012/4.2=8, 8014/3.3=8...(5) Peak 8017 from cnoeabs.peaks (3.65, 2.00, 16.64 ppm; 4.31 A): 3 out of 3 assignments used, quality = 0.94: HD3 PRO 12 + QE MET 11 OK 90 100 - 90 - 1.8/8016=28, 3.8/42=25...(14) HA THR 92 + QE MET 11 OK 35 98 - 36 - 3.2/10083=5, 8018/3.3=5...(12) HA2 GLY 94 + QE MET 11 OK 15 85 - 17 - 8018/3.3=3, 1.8/10591=3...(5) Peak 8018 from cnoeabs.peaks (3.64, 2.37, 31.73 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: HD3 PRO 12 + HG3 MET 11 OK 99 100 - 100 - 1.8/8015=47, 50/3.9=44...(20) HA THR 92 + HG3 MET 11 OK 48 89 - 55 - 3.2/9024=15, 8017/3.3=11...(12) HA2 GLY 94 - HG3 MET 11 OK 30 96 - 31 - 8017/3.3=7, 8011/3.0=5...(9) Peak 8019 from cnoeabs.peaks (4.66, 1.92, 27.30 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.99: HA MET 11 + HG2 PRO 12 OK 93 100 - 93 - 49/2.3=41, 51/2.3=39...(13) HA MET 11 + HG3 PRO 12 OK 90 99 - 91 - 49/2.3=41, 51/2.3=39...(13) HA GLN 62 - HG2 PRO 12 OK 34 98 - 35 - 48/2.3=8, 50/2.3=8...(8) HA GLN 62 - HG3 PRO 12 OK 33 96 - 34 - 48/2.3=8, 50/2.3=8...(8) Peak 8021 from cnoeabs.peaks (1.93, 2.68, 40.83 ppm; 4.65 A): 8 out of 22 assignments used, quality = 0.84: HG2 PRO 12 + HB3 ASP 13 OK 31 96 - 33 - 8005/3.0=13, 99/3.8=11...(4) HG3 PRO 12 + HB3 ASP 13 OK 27 89 - 31 - 99/3.8=11, ~8005=10...(4) HB3 LEU 132 + HB3 TYR 115 OK 20 67 - 30 - ~4729=9, 3.2/8024=8...(6) HB3 LEU 132 + HB3 ASP 13 OK 18 92 - 20 - 3.2/8024=4, 8021=4...(8) HG2 PRO 12 + HB3 TYR 115 OK 18 72 - 25 - 10665/2.5=5, ~9771=5...(8) HG3 PRO 12 + HB3 TYR 115 OK 16 64 - 26 - ~9771=5, ~10665=4...(8) HB3 PRO 52 + HB3 ASP 13 OK 15 98 - 16 - 2.3/10928=5, 2.3/8021=3...(6) HG2 PRO 52 + HB3 ASP 13 OK 14 96 - 15 - 3.8/10928=4, 2.3/8021=3...(7) HB2 PRO 118 - HB3 ASP 13 poor 8 81 - 10 - ~8006=3, 6006/3.8=2...(5) HB3 GLU 122 - HB3 ASP 13 lone 5 89 - 6 - ~8006=1, 8005/3.0=1, 8021=1 HB2 GLN 62 - HB3 ASP 13 lone 5 96 - 5 - ~8006=2 HB2 GLN 62 - HB3 TYR 115 lone 3 72 - 5 - HB2 PRO 118 - HB3 TYR 115 lone 3 58 - 6 - ~10277=2, ~10212=1 HB3 GLU 122 - HB3 TYR 115 lone 3 64 - 5 - 9351/4.5=2, ~9920=2 HB2 ARG 140 - HB3 ASP 13 lone 2 98 - 2 - HB2 ARG 89 - HB3 ASP 13 lone 2 100 - 2 - HB3 PRO 52 - HB3 TYR 115 lone 2 74 - 3 - HG2 PRO 52 - HB3 TYR 115 lone 2 72 - 3 - HB2 ARG 140 - HB3 TYR 115 lone 2 74 - 2 - HB2 ARG 89 - HB3 TYR 115 lone 1 79 - 2 - HB2 MET 59 - HB3 ASP 13 lone 1 72 - 2 - HB2 MET 59 - HB3 TYR 115 lone 1 50 - 2 - Peak 8022 from cnoeabs.peaks (1.62, 2.68, 40.83 ppm; 5.49 A): 4 out of 16 assignments used, quality = 0.52: HB3 LEU 64 + HB3 TYR 115 OK 25 72 - 35 - ~9883=11, ~9848=9...(6) HB2 LEU 87 + HB3 TYR 115 OK 15 70 - 22 - 2777/4.0=9, 4.0/3847=5...(5) HG3 LYS 34 + HB3 TYR 115 OK 13 72 - 18 - ~11171=6, ~11172=3...(6) HB3 LEU 26 + HB3 TYR 115 OK 13 50 - 25 - ~10549=7, ~10215=7...(5) HG3 LYS 34 - HB3 ASP 13 lone 8 96 - 8 - 9798/10953=3, ~8007=2, ~8005=1 HD2 LYS 24 - HB3 TYR 115 lone 6 72 - 8 - 3.0/10216=2, ~10213=2 HG3 ARG 144 - HB3 ASP 13 lone 6 96 - 6 - 1.8/10667=1, ~8008=1 HB2 LEU 87 - HB3 ASP 13 lone 4 94 - 4 - HB3 LEU 64 - HB3 ASP 13 lone 3 96 - 3 - HG3 ARG 49 - HB3 ASP 13 lone 3 92 - 4 - HG3 ARG 49 - HB3 TYR 115 lone 2 67 - 4 - HB3 LEU 26 - HB3 ASP 13 lone 2 72 - 3 - ~8006=1 HD2 LYS 24 - HB3 ASP 13 lone 2 96 - 2 - HG3 ARG 144 - HB3 TYR 115 lone 2 72 - 2 - HG LEU 108 - HB3 ASP 13 lone 2 62 - 3 - HG LEU 108 - HB3 TYR 115 lone 1 42 - 2 - Peak 8023 from cnoeabs.peaks (1.45, 2.68, 40.83 ppm; 6.80 A): 4 out of 10 assignments used, quality = 0.95: HB3 LEU 66 + HB3 TYR 115 OK 72 74 - 97 - ~9367=29, ~11113=29...(20) HB3 LYS 114 + HB3 TYR 115 OK 63 70 - 90 - ~10199=28, 3764/4.0=27...(15) HG2 LYS 48 + HB3 TYR 115 OK 29 78 - 37 - 10213/2.9=8, 4726/2.5=7...(6) HB3 LYS 123 + HB3 TYR 115 OK 27 74 - 37 - ~10248=21, 10213/2.9=6...(6) HB3 LYS 114 - HB3 ASP 13 OK 16 94 - 17 - 4.6/7430=9, 10201/4660=2 HB3 LEU 66 - HB3 ASP 13 OK 14 98 - 14 - 3.1/9897=4, ~8008=2...(4) HG2 LYS 48 - HB3 ASP 13 lone 9 100 - 9 - 10599/9763=1 HB3 LYS 123 - HB3 ASP 13 lone 7 98 - 7 - ~10248=3 HB2 LYS 76 - HB3 TYR 115 lone 3 54 - 6 - 1909/9858=2 HB2 LYS 76 - HB3 ASP 13 lone 3 77 - 3 - Peak 8024 from cnoeabs.peaks (0.59, 2.68, 40.83 ppm; 5.32 A): 5 out of 6 assignments used, quality = 0.81: QD1 LEU 132 + HB3 TYR 115 OK 45 70 - 65 - 4729/2.5=21...(10) QD1 ILE 56 + HB3 TYR 115 OK 24 77 - 31 - 4729/2.5=11, 9368/4.0=8...(5) QG1 VAL 71 + HB3 TYR 115 OK 23 54 - 42 - 9368/4.0=10, 4729/2.5=10...(8) QD1 LEU 132 + HB3 ASP 13 OK 22 94 - 24 - 4.1/9564=4, 3.2/8021=4...(10) QD1 ILE 56 + HB3 ASP 13 OK 22 100 - 22 - ~8007=7, ~8007=5...(4) QG1 VAL 71 - HB3 ASP 13 lone 7 77 - 9 - 8527/10953=2 Peak 8025 from cnoeabs.peaks (1.28, 3.75, 45.33 ppm; 4.09 A): 4 out of 12 assignments used, quality = 0.97: HG12 ILE 58 + HA3 GLY 15 OK 67 88 - 76 - 2.1/8026=20, ~8026=15...(14) HG12 ILE 58 + HA2 GLY 15 OK 64 87 - 73 - 2.1/8026=22, ~8026=13...(13) HG13 ILE 58 + HA3 GLY 15 OK 51 67 - 76 - 2.1/8026=20, ~8026=15...(14) HG13 ILE 58 + HA2 GLY 15 OK 48 66 - 73 - 2.1/8026=22, ~8026=13...(13) HG2 LYS 61 - HA2 GLY 15 lone 3 80 - 3 - 10845/8026=1 QB ALA 104 - HA2 GLY 15 lone 2 96 - 2 - HG2 LYS 61 - HA3 GLY 15 lone 2 81 - 3 - QB ALA 104 - HA3 GLY 15 lone 1 98 - 1 - HB2 LEU 132 - HA3 GLY 15 lone 1 62 - 1 - HB2 LEU 132 - HA2 GLY 15 lone 1 61 - 1 - QG2 THR 102 - HA2 GLY 15 lone 0 90 - 1 - QG2 THR 102 - HA3 GLY 15 lone 0 91 - 1 - Peak 8026 from cnoeabs.peaks (0.56, 3.75, 45.33 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.86: QD1 ILE 58 + HA3 GLY 15 OK 63 100 - 63 - 8285/1.8=14, 3.1/8280=13...(13) QD1 ILE 58 + HA2 GLY 15 OK 62 99 - 62 - 8285=15, 8285/1.8=14...(12) Peak 8029 from cnoeabs.peaks (3.93, 3.75, 45.33 ppm; 3.76 A): 0 out of 10 assignments used, low quality = 0.00: HA LEU 29 - HA3 GLY 15 lone 1 92 - 1 - HA LEU 29 - HA2 GLY 15 lone 1 91 - 1 - HA LYS 86 - HA2 GLY 15 lone 0 100 - 0 - HA2 GLY 143 - HA2 GLY 15 lone 0 100 - 0 - HA LYS 86 - HA3 GLY 15 lone 0 100 - 0 - HA2 GLY 143 - HA3 GLY 15 lone 0 100 - 0 - HD3 PRO 129 - HA2 GLY 15 lone 0 88 - 0 - HD3 PRO 129 - HA3 GLY 15 lone 0 89 - 0 - HD2 PRO 129 - HA3 GLY 15 lone 0 81 - 0 - HD2 PRO 129 - HA2 GLY 15 lone 0 81 - 0 - Peak 8041 from cnoeabs.peaks (9.99, 7.05, 125.96 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.99: * HE1 TRP 17 + HD1 TRP 17 OK 99 99 - 100 - 2.6=100 Peak 8042 from cnoeabs.peaks (9.98, 7.29, 114.28 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 - 2.8=100 Peak 8044 from cnoeabs.peaks (1.05, 3.79, 62.02 ppm; 4.57 A): 3 out of 5 assignments used, quality = 0.62: QG2 VAL 53 + HA TYR 27 OK 34 91 - 37 - 3.2/9810=18, ~8239=8...(6) HG13 ILE 91 + HA TYR 27 OK 32 100 - 32 - 8997/3.7=8, 1.8/10808=7...(7) HG3 LYS 114 + HA TYR 27 OK 15 94 - 16 - 2.9/10808=5, 8111/8046=5...(4) HB2 LEU 116 - HA TYR 27 poor 9 85 - 11 - 8111/8046=4, ~11096=2...(4) QG2 THR 110 - HA TYR 27 lone 5 62 - 8 - 4.0/283=2, ~3594=1...(4) Peak 8045 from cnoeabs.peaks (0.95, 3.79, 62.02 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.62: HG3 ARG 35 + HA TYR 27 OK 43 88 - 48 - 11187/3.0=16...(8) QD1 LEU 29 + HA TYR 27 OK 22 85 - 26 - 11187/3.0=11...(6) QG2 THR 51 + HA TYR 27 OK 14 91 - 16 - 11187/3.0=6, 10864/4.9=4 Peak 8046 from cnoeabs.peaks (0.03, 3.79, 62.02 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.52: * QD1 LEU 39 + HA TYR 27 OK 52 96 - 54 - 8116=30, 11186/3.0=12...(9) Peak 8049 from cnoeabs.peaks (2.95, 2.45, 36.00 ppm; 4.44 A): 8 out of 12 assignments used, quality = 0.88: HE2 LYS 93 + HG3 GLU 28 OK 34 100 - 34 - 3.8/8054=9, ~8050=7...(10) HE3 LYS 93 + HG3 GLU 28 OK 33 85 - 39 - 3.8/8054=9, 8050/1.8=7...(10) HE2 LYS 48 + HG3 GLU 28 OK 23 100 - 22 - 3.6/8054=6, 3.6/10542=5...(6) HE3 LYS 48 + HG3 GLU 28 OK 22 100 - 22 - 3.6/8054=6, 3.6/10542=5...(6) HB3 PHE 67 + HG3 GLU 28 OK 21 100 - 22 - ~8051=12, 8050/1.8=4...(4) HE2 LYS 85 + HG3 GLU 28 OK 19 100 - 19 - ~8050=3, 8050/1.8=3...(4) HE3 LYS 85 + HG3 GLU 28 OK 19 96 - 19 - 8050/1.8=3, ~8050=3...(4) HB2 PHE 106 + HG3 GLU 28 OK 12 100 - 12 - 4.0/332=5, 3430/4.9=2 HE3 LYS 61 - HG3 GLU 28 lone 6 62 - 10 - 10892/10893=3...(3) HE2 LYS 61 - HG3 GLU 28 lone 6 62 - 9 - 10892/10893=3...(3) HB3 ASN 130 - HG3 GLU 28 lone 4 68 - 6 - 4.7/7651=2, 4.0/9545=1 HB2 TYR 115 - HG3 GLU 28 lone 4 100 - 4 - 11381/10854=1 Peak 8050 from cnoeabs.peaks (2.96, 2.22, 36.00 ppm; 4.86 A): 8 out of 10 assignments used, quality = 0.83: HE2 LYS 93 + HG2 GLU 28 OK 37 89 - 41 - ~8049=18, 8049/1.8=6...(12) HB3 TYR 27 + HG2 GLU 28 OK 30 85 - 36 - 4.7/325=21, ~10861=11, ~10540=8 HB3 PHE 67 + HG2 GLU 28 OK 23 94 - 25 - 1.8/8051=19, 8049/1.8=4 HE2 LYS 85 + HG2 GLU 28 OK 16 85 - 19 - 8049/1.8=3, ~8049=3...(4) HE2 LYS 48 + HG2 GLU 28 OK 14 92 - 15 - 8049/1.8=4, ~8049=4, 4.9/328=2 HE3 LYS 85 + HG2 GLU 28 OK 11 62 - 18 - 8049/1.8=3, ~8049=3...(4) HB2 PHE 106 + HG2 GLU 28 OK 11 94 - 12 - 4.0/325=5, 3430/4.9=3 HE3 LYS 48 + HG2 GLU 28 OK 11 77 - 15 - ~8049=4, 8049/1.8=4, 4.9/328=2 HB2 TYR 115 - HG2 GLU 28 lone 4 92 - 4 - 1936/8051=1 HA VAL 71 - HG2 GLU 28 lone 2 72 - 3 - 6105/4.9=2 Peak 8051 from cnoeabs.peaks (3.04, 2.22, 36.00 ppm; 4.98 A): 0 out of 3 assignments used, low quality = 0.21: HB2 PHE 67 - HG2 GLU 28 OK 12 99 - 12 - 1.8/8050=6, ~8049=4, 724/10800=1 HB3 ASP 65 - HG2 GLU 28 OK 11 99 - 11 - 10540/1.8=7, 8383/9868=2 HB2 HIS 10 - HG2 GLU 28 lone 1 68 - 2 - Peak 8052 from cnoeabs.peaks (4.04, 2.22, 29.57 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.64: HA GLN 25 + HB2 GLU 28 OK 52 100 - 52 - 11460/4.0=20...(6) HA VAL 63 + HB2 GLU 28 OK 24 62 - 38 - 3.2/9868=17...(5) HD2 PRO 33 - HB2 GLU 28 lone 6 81 - 7 - 8053/3.0=3, 10850/4.3=2 Peak 8053 from cnoeabs.peaks (4.04, 2.45, 36.00 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.60: HA GLN 25 + HG3 GLU 28 OK 51 100 - 52 - 8052/3.0=21...(6) HA VAL 63 + HG3 GLU 28 OK 17 62 - 28 - ~9868=11, 8052/3.0=10 HD2 PRO 33 - HG3 GLU 28 lone 7 81 - 8 - 8052/3.0=2, 10859/4.9=1 Peak 8054 from cnoeabs.peaks (1.42, 2.45, 36.00 ppm; 4.49 A): 4 out of 5 assignments used, quality = 0.84: HG3 LYS 93 + HG3 GLU 28 OK 49 92 - 54 - 3.8/8049=15...(20) HG2 LYS 24 + HG3 GLU 28 OK 46 81 - 57 - 1.8/10862=24, 10893=21...(6) HG12 ILE 91 + HG3 GLU 28 OK 26 100 - 26 - 11382/1.8=22, 10899/10862=1 HG2 LYS 36 + HG3 GLU 28 OK 20 81 - 25 - ~10800=18, ~11487=4 HD2 LYS 114 - HG3 GLU 28 lone 3 62 - 4 - Peak 8058 from cnoeabs.peaks (4.55, 0.91, 23.00 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.78: HA GLU 28 + QD2 LEU 29 OK 62 100 - 63 - 3.6/371=28, 8079/4.8=19...(6) HA LEU 97 + QD2 LEU 29 OK 34 98 - 35 - ~8070=16, ~8070=11...(6) HA PRO 98 + QD2 LEU 29 OK 11 100 - 11 - 6116/4.9=3, 8079/4.8=3...(4) HA MET 59 - QD2 LEU 29 poor 9 72 - 13 - 8301=3, 4.8/8270=2...(4) Peak 8060 from cnoeabs.peaks (4.07, 0.96, 25.10 ppm; 3.47 A): 5 out of 7 assignments used, quality = 0.89: HA LEU 26 + QD1 LEU 29 OK 50 100 - 50 - 8060=10, 10917/2.1=8...(15) HA VAL 53 + QD1 LEU 29 OK 37 92 - 40 - 8060=10, 9840/4.0=8...(11) HA LYS 34 + QD1 LEU 29 OK 32 100 - 32 - 8060=9, 3.6/6188=6...(6) HA LEU 132 + QD1 LEU 29 OK 29 98 - 30 - 8060=8, 4.9/9616=7...(7) HD3 PRO 118 + QD1 LEU 29 OK 28 94 - 29 - 10851/2.1=6, 9769/2.1=5...(11) HA LYS 24 - QD1 LEU 29 poor 8 77 - 11 - 10851/2.1=3, 3.0/9779=1 HA GLU 90 - QD1 LEU 29 lone 7 98 - 7 - 8060=2, 10537/2.1=1 Peak 8061 from cnoeabs.peaks (3.83, 0.96, 25.10 ppm; 4.74 A): 4 out of 8 assignments used, quality = 0.95: HA GLN 133 + QD1 LEU 29 OK 73 96 - 76 - 9616=26, 9614/3.1=11...(20) HD2 PRO 118 + QD1 LEU 29 OK 55 100 - 55 - 8061=11, ~10851=10...(16) HA3 GLY 50 + QD1 LEU 29 OK 40 96 - 42 - 2.9/8070=18, 3.6/6489=9...(7) HA MET 68 + QD1 LEU 29 OK 34 62 - 54 - 2.9/10529=17...(9) HA LEU 66 - QD1 LEU 29 OK 30 100 - 30 - 3.6/8407=9, 4.0/10990=4...(10) HA ALA 104 - QD1 LEU 29 OK 13 72 - 18 - ~10841=7, ~10198=2, ~10156=2 HB2 SER 100 - QD1 LEU 29 OK 13 99 - 13 - 10849/4.6=4, 9165/2.1=3 HA THR 110 - QD1 LEU 29 poor 8 68 - 12 - ~10638=2, ~10451=2, 7356/8072=2 Peak 8062 from cnoeabs.peaks (4.35, 0.96, 25.10 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.83: HA ASP 65 + QD1 LEU 29 OK 75 98 - 77 - 8062=23, 3.0/8065=21...(16) HB THR 51 + QD1 LEU 29 OK 33 68 - 49 - 8062=9, 3.0/1312=6...(16) HA3 GLY 77 - QD1 LEU 29 lone 9 98 - 9 - 8062=3, ~8678=1, 8059/2.1=1 HA ARG 144 - QD1 LEU 29 lone 6 77 - 7 - 8062=2 Peak 8063 from cnoeabs.peaks (3.03, 0.96, 25.10 ppm; 3.70 A): 5 out of 5 assignments used, quality = 0.84: HB3 ASP 65 + QD1 LEU 29 OK 57 72 - 78 - 1.8/8065=30, 8063=20...(9) HB2 PHE 67 + QD1 LEU 29 OK 28 72 - 39 - 8063=8, 4.4/10529=8...(11) HD3 ARG 35 + QD1 LEU 29 OK 27 72 - 37 - 8057/4.6=7, 3.0/616=5...(14) HE2 LYS 36 + QD1 LEU 29 OK 17 72 - 24 - 8063=7, 1.8/8063=5...(6) HE3 LYS 36 + QD1 LEU 29 OK 16 68 - 23 - 8063=7, 1.8/8063=6...(6) Peak 8065 from cnoeabs.peaks (2.47, 0.96, 25.10 ppm; 3.41 A): 2 out of 3 assignments used, quality = 0.79: HB2 ASP 65 + QD1 LEU 29 OK 74 99 - 75 - 8065=26, 8066/2.1=18...(11) HB3 GLU 131 + QD1 LEU 29 OK 21 62 - 33 - 8066/2.1=8, 8065=7...(10) HG3 GLU 28 - QD1 LEU 29 lone 4 68 - 6 - 10854/4.6=4, 8065=2 Peak 8066 from cnoeabs.peaks (2.42, 0.91, 23.00 ppm; 3.43 A): 5 out of 7 assignments used, quality = 0.88: HG3 GLN 133 + QD2 LEU 29 OK 44 100 - 44 - 3.5/9610=7, 2.9/375=6...(18) HG2 GLN 133 + QD2 LEU 29 OK 44 99 - 44 - 3.5/9610=7, 2.9/375=6...(17) QE MET 46 + QD2 LEU 29 OK 36 100 - 36 - 10493=15, 8170/4.8=4...(10) HB3 PRO 118 + QD2 LEU 29 OK 30 100 - 30 - 3.0/10851=8, 2.3/375=4...(11) HG2 MET 68 + QD2 LEU 29 OK 15 72 - 21 - ~11531=7, 2.9/10842=5...(5) HG2 GLN 47 - QD2 LEU 29 lone 6 92 - 6 - HG3 GLN 47 - QD2 LEU 29 lone 6 92 - 6 - Peak 8067 from cnoeabs.peaks (2.76, 0.91, 23.00 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.99: HE3 LYS 76 + QD2 LEU 29 OK 88 100 - 88 - 3.9/8074=26, 3.9/373=11...(34) HE2 LYS 76 + QD2 LEU 29 OK 85 96 - 88 - 3.9/8074=26, 3.9/373=11...(34) HE2 LYS 114 + QD2 LEU 29 OK 72 98 - 74 - 4.9/10842=11, ~3827=9...(18) HB2 ASN 54 - QD2 LEU 29 OK 12 68 - 18 - 4.5/10618=15 HB2 ASP 41 - QD2 LEU 29 lone 7 92 - 7 - ~10533=2 HB3 ASP 40 - QD2 LEU 29 lone 6 85 - 7 - HG3 MET 113 - QD2 LEU 29 lone 6 62 - 9 - 9347/9356=1 Peak 8068 from cnoeabs.peaks (3.04, 0.91, 23.00 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.95: HB3 ASP 65 + QD2 LEU 29 OK 91 100 - 91 - 1.8/8066=34, ~8065=27...(13) HB2 PHE 67 + QD2 LEU 29 OK 40 100 - 40 - 10844/2.1=16, ~11527=10...(7) HE2 LYS 34 - QD2 LEU 29 poor 7 62 - 11 - 6.2/10537=3, 3.7/374=2, ~9779=1 HB2 HIS 10 - QD2 LEU 29 lone 3 77 - 3 - Peak 8070 from cnoeabs.peaks (7.66, 0.96, 25.10 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.64: H LEU 97 + QD1 LEU 29 OK 40 89 - 45 - 8070=24, ~8058=6...(8) H GLY 50 + QD1 LEU 29 OK 40 96 - 41 - 8192=11, 4.4/6489=7...(11) Peak 8071 from cnoeabs.peaks (8.56, 0.96, 25.10 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.48: H LEU 72 + QD1 LEU 29 OK 41 77 - 53 - 2.9/8539=12, 3.4/8075=10...(14) H LYS 85 + QD1 LEU 29 OK 12 98 - 13 - 5.1/381=2, 6962/3.1=2 H CYS 121 - QD1 LEU 29 lone 2 72 - 2 - Peak 8072 from cnoeabs.peaks (9.19, 0.96, 25.10 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.80: H ASP 65 + QD1 LEU 29 OK 66 100 - 66 - 3.0/8062=22, 4.0/8065=21...(8) H TYR 112 + QD1 LEU 29 OK 43 100 - 43 - 11693/2.1=25, ~10840=7...(6) Peak 8073 from cnoeabs.peaks (7.50, 0.91, 23.00 ppm; 4.03 A): 2 out of 5 assignments used, quality = 0.66: HE22 GLN 25 + QD2 LEU 29 OK 62 100 - 62 - 3.5/10532=22, ~9778=10...(13) H TYR 70 + QD2 LEU 29 OK 10 94 - 11 - 2.9/8059=2, 3.6/11533=2 HE ARG 49 - QD2 LEU 29 lone 10 100 - 10 - ~10661=2, ~10983=2, ~11512=2 HD1 TRP 88 - QD2 LEU 29 lone 5 68 - 7 - 5.1/4782=2, 4.6/10239=2 HE21 GLN 47 - QD2 LEU 29 lone 3 81 - 3 - Peak 8074 from cnoeabs.peaks (1.15, 0.91, 23.00 ppm; 3.30 A): 4 out of 5 assignments used, quality = 0.75: HG2 LYS 76 + QD2 LEU 29 OK 55 85 - 65 - 8075/2.1=11, 1.8/373=9...(26) HB2 LEU 72 + QD2 LEU 29 OK 25 77 - 32 - 8075/2.1=8, ~8071=7...(8) QG2 THR 92 + QD2 LEU 29 OK 16 100 - 16 - 9027/1850=2, 8075/2.1=2...(4) QD1 LEU 69 + QD2 LEU 29 OK 11 77 - 14 - 8075/2.1=4, 8386/8059=1 QG2 THR 18 - QD2 LEU 29 lone 1 62 - 2 - Peak 8075 from cnoeabs.peaks (1.17, 0.96, 25.10 ppm; 3.13 A): 5 out of 5 assignments used, quality = 0.87: HG2 LYS 76 + QD1 LEU 29 OK 63 94 - 67 - 8075=22, 1.8/381=8...(23) HB2 LEU 72 + QD1 LEU 29 OK 34 98 - 35 - 3.4/8071=10, 8075=6...(8) QD1 LEU 26 + QD1 LEU 29 OK 31 92 - 33 - 4.0/8060=4, 2.1/616=4...(10) QD1 LEU 69 + QD1 LEU 29 OK 16 98 - 16 - 8075=4, 8386/8062=2 HB3 LEU 108 + QD1 LEU 29 OK 10 62 - 16 - 1.8/384=3, ~368=1...(4) Peak 8083 from cnoeabs.peaks (8.26, 4.09, 51.07 ppm; 5.76 A): 1 out of 5 assignments used, quality = 1.00: H ASP 32 + HD3 PRO 33 OK 100 100 - 100 - 4.8=100 H GLY 143 - HD3 PRO 33 OK 14 81 - 17 - 8084/1.8=4, 7867/2.3=3...(7) H LEU 39 - HD3 PRO 33 OK 11 72 - 15 - 8084/1.8=3, 414/4.8=3...(5) H ALA 105 - HD3 PRO 33 lone 4 100 - 4 - H THR 102 - HD3 PRO 33 lone 1 68 - 1 - Peak 8084 from cnoeabs.peaks (8.26, 4.05, 51.07 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: H ASP 32 + HD2 PRO 33 OK 99 100 - 99 - 4.8=88, 3.0/423=33...(20) H GLN 25 + HD2 PRO 33 OK 66 81 - 81 - 4.0/203=11, 4.0/211=11...(28) H GLY 143 - HD2 PRO 33 OK 15 96 - 15 - 7867/2.3=3, 7867/2.3=3...(5) H LEU 39 - HD2 PRO 33 OK 13 92 - 14 - 6253/10789=4, 8083/1.8=2...(6) H ALA 105 - HD2 PRO 33 lone 4 92 - 4 - Peak 8089 from cnoeabs.peaks (4.07, 2.69, 42.22 ppm; 4.80 A): 5 out of 7 assignments used, quality = 0.88: HA LYS 34 + HB2 ASP 32 OK 66 100 - 67 - 3.0/10820=24...(8) HA LEU 26 + HB2 ASP 32 OK 32 100 - 32 - 8090/1.8=7, 3.0/9785=6...(10) HD3 PRO 118 + HB2 ASP 32 OK 24 94 - 26 - 432/4.8=8, 425/3.0=7...(6) HA VAL 53 + HB2 ASP 32 OK 18 92 - 20 - 3.2/10806=9, 8090/1.8=5 HA LYS 24 + HB2 ASP 32 OK 13 77 - 17 - 3.6/414=4, 423/3.0=3...(5) HA LEU 132 - HB2 ASP 32 lone 8 98 - 8 - 8090/1.8=3, 2.8/9564=2 HA GLU 90 - HB2 ASP 32 lone 6 98 - 7 - ~11690=2, 8090/1.8=1 Peak 8090 from cnoeabs.peaks (4.08, 2.89, 42.22 ppm; 4.75 A): 5 out of 6 assignments used, quality = 0.85: HA LYS 34 + HB3 ASP 32 OK 66 100 - 66 - 3.6/9771=22, 8089/1.8=19...(8) HA LEU 26 + HB3 ASP 32 OK 26 96 - 27 - 8089/1.8=7, ~9785=4...(9) HA VAL 53 + HB3 ASP 32 OK 20 100 - 20 - ~10806=8, 8089/1.8=5...(6) HD3 PRO 118 + HB3 ASP 32 OK 18 77 - 23 - 432/4.8=8, 425/3.0=6...(5) HA LEU 132 + HB3 ASP 32 OK 11 100 - 11 - ~9564=2, 8089/1.8=2, 3.7/11169=2 HA GLU 90 - HB3 ASP 32 lone 6 100 - 5 - 8089/1.8=2, ~11690=2 Peak 8098 from cnoeabs.peaks (6.96, 1.96, 31.79 ppm; 4.78 A): 2 out of 4 assignments used, quality = 0.78: QD PHE 38 + HB2 LYS 34 OK 76 98 - 77 - 9797/2.9=33, 9794/2.9=32...(5) HD21 ASN 139 + HB2 LYS 34 OK 12 85 - 13 - 8095/4.1=4, 9774/2.9=4...(4) QD PHE 38 - HB3 MET 11 poor 8 65 - 12 - 9797/528=3, 9794/517=3...(4) HD21 ASN 139 - HB3 MET 11 lone 3 53 - 5 - 8261/1480=2 Peak 8099 from cnoeabs.peaks (6.97, 1.79, 28.37 ppm; 4.03 A): 4 out of 4 assignments used, quality = 0.71: HD2 HIS 10 + HD2 LYS 34 OK 28 100 - 29 - 8097/4.7=10, 8098/3.4=10...(4) HD2 HIS 10 + HD3 LYS 34 OK 28 100 - 29 - 8097/4.7=10, 8098/3.4=10...(4) QD PHE 38 + HD3 LYS 34 OK 25 77 - 33 - 9794/2.9=15, 9797/2.9=11...(4) QD PHE 38 + HD2 LYS 34 OK 25 77 - 33 - 9794/2.9=15, 9797/2.9=11...(4) Peak 8100 from cnoeabs.peaks (0.04, 2.06, 58.74 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.50: QD1 LEU 39 + HA ARG 35 OK 50 57 - 88 - 4.3/6252=20, ~8132=18...(24) Peak 8101 from cnoeabs.peaks (6.71, 3.87, 59.28 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.72: * QE TYR 27 + HA LYS 36 OK 53 72 - 73 - 4.5/11208=18, 11180=13...(18) QE TYR 70 + HA LYS 36 OK 32 100 - 32 - 2.2/9804=11, 10776/2.8=7...(9) HZ PHE 43 + HA LYS 36 OK 13 92 - 14 - 10776/2.8=3, 8125/8104=3...(4) Peak 8104 from cnoeabs.peaks (0.01, 3.87, 59.28 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.78: QD1 LEU 39 + HA LYS 36 OK 78 94 - 82 - 4.3/6253=22...(19) Peak 8108 from cnoeabs.peaks (6.84, 2.73, 39.31 ppm; 4.52 A): 0 out of 2 assignments used, low quality = 0.00: HZ2 TRP 88 - HB2 PHE 38 poor 9 62 - 15 - 8107/3.2=5, 9778/591=3...(6) HD22 ASN 54 - HB2 PHE 38 lone 2 100 - 2 - Peak 8109 from cnoeabs.peaks (7.07, 3.32, 39.31 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.57: QE PHE 67 + HB3 PHE 38 OK 57 92 - 62 - 9810/1.8=38, 8109=22...(4) H MET 68 - HB3 PHE 38 lone 6 98 - 6 - 9801/592=5 HD1 TRP 17 - HB3 PHE 38 lone 1 81 - 1 - Peak 8111 from cnoeabs.peaks (1.05, 0.02, 26.33 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.64: HG13 ILE 91 + QD1 LEU 39 OK 33 96 - 34 - ~11497=11, 8121/2.1=7...(11) HG3 LYS 114 + QD1 LEU 39 OK 31 100 - 31 - ~11497=8, 2.9/10977=7...(8) QG2 VAL 53 + QD1 LEU 39 OK 24 100 - 24 - 8121/2.1=4, 8240/3.8=4...(9) Peak 8112 from cnoeabs.peaks (1.20, 0.02, 26.33 ppm; 4.65 A): 0 out of 3 assignments used, low quality = 0.37: HG13 ILE 56 - QD1 LEU 39 OK 16 99 - 17 - 3.2/11064=3, 256/10905=3...(8) HB3 LEU 108 - QD1 LEU 39 OK 14 85 - 16 - 280/10574=2, 256/10905=2...(6) HG12 ILE 56 - QD1 LEU 39 OK 13 98 - 13 - 3.2/11064=3, ~11009=2...(5) Peak 8113 from cnoeabs.peaks (1.69, 0.02, 26.33 ppm; 4.10 A): 2 out of 9 assignments used, quality = 0.93: HG LEU 26 + QD1 LEU 39 OK 91 100 - 91 - 10915=42, 2.1/10578=33...(16) HG LEU 97 + QD1 LEU 39 OK 22 99 - 22 - 10915=6, 271/10578=3...(6) HG3 ARG 141 - QD1 LEU 39 OK 20 98 - 20 - 10505/10574=8...(6) HD2 LYS 93 - QD1 LEU 39 OK 16 85 - 18 - 3.0/10977=5, 8043/8046=3...(8) HD2 LYS 86 - QD1 LEU 39 OK 11 72 - 15 - 271/10578=1 HB3 LEU 95 - QD1 LEU 39 poor 7 62 - 11 - HB2 LYS 85 - QD1 LEU 39 lone 7 77 - 9 - 3.9/860=2, ~10978=1 HB ILE 58 - QD1 LEU 39 lone 5 72 - 7 - 271/10578=1, 255/10905=1 HD3 LYS 48 - QD1 LEU 39 lone 2 62 - 3 - Peak 8114 from cnoeabs.peaks (2.09, 0.02, 26.33 ppm; 6.09 A): 2 out of 8 assignments used, quality = 0.95: HB3 LYS 36 + QD1 LEU 39 OK 90 100 - 90 - 3.0/8104=43...(14) HB3 GLN 25 + QD1 LEU 39 OK 52 100 - 52 - 4.6/10869=34, 4.0/853=10...(8) HG3 PRO 33 - QD1 LEU 39 OK 36 98 - 37 - ~8120=8, ~8120=7...(12) HG2 PRO 33 - QD1 LEU 39 OK 33 96 - 35 - ~8120=8, ~8120=7...(11) HB VAL 53 - QD1 LEU 39 OK 33 99 - 33 - 2.1/8111=14, ~8121=5...(8) HG2 PRO 118 - QD1 LEU 39 OK 17 94 - 18 - 3969/8104=3, 2.3/9811=2...(7) HB3 GLU 142 - QD1 LEU 39 OK 12 100 - 12 - 4.7/853=5, 4851/4.3=2 HB2 GLU 131 - QD1 LEU 39 OK 10 94 - 11 - 10405/11064=3, 269/10578=1 Peak 8115 from cnoeabs.peaks (3.04, 0.02, 26.33 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.75: HB2 PHE 67 + QD1 LEU 39 OK 60 100 - 60 - 8118/2.1=17...(11) HB3 ASP 65 + QD1 LEU 39 OK 36 100 - 36 - 8118/2.1=9, ~8388=8...(8) HE2 LYS 34 - QD1 LEU 39 poor 9 68 - 13 - 6.2/10872=5, 10564/10578=2 HB2 HIS 10 - QD1 LEU 39 lone 7 81 - 9 - 8118/2.1=4, ~10975=3 Peak 8116 from cnoeabs.peaks (3.80, 0.02, 26.33 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.62: HA TYR 27 + QD1 LEU 39 OK 62 92 - 68 - 8046=43, 3.0/11186=16...(10) HA GLN 47 - QD1 LEU 39 lone 2 100 - 2 - Peak 8117 from cnoeabs.peaks (3.84, 0.67, 22.21 ppm; 4.83 A): 5 out of 9 assignments used, quality = 0.93: HA LEU 66 + QD2 LEU 39 OK 61 77 - 79 - 3.0/11496=21...(19) HA GLN 133 + QD2 LEU 39 OK 47 100 - 47 - 9616/3.2=11, 8134/2.1=10...(13) HA LEU 72 + QD2 LEU 39 OK 42 72 - 59 - 8134/2.1=15, ~852=11...(16) HA MET 68 + QD2 LEU 39 OK 26 96 - 27 - 8134/2.1=7, ~8442=6...(9) HB2 SER 100 + QD2 LEU 39 OK 21 98 - 22 - 10156/4.8=8, 8134/2.1=4...(4) HA ALA 104 - QD2 LEU 39 OK 15 99 - 15 - 8134/2.1=3, 8117=2...(4) HB2 SER 127 - QD2 LEU 39 OK 14 94 - 14 - 8134/2.1=3, 8117=2...(4) HD2 PRO 118 - QD2 LEU 39 OK 13 94 - 14 - 4.8/7452=2, 8134/2.1=2...(4) HA3 GLY 50 - QD2 LEU 39 poor 7 62 - 11 - ~6476=2, ~8192=2...(5) Peak 8118 from cnoeabs.peaks (2.97, 0.67, 22.21 ppm; 4.49 A): 4 out of 5 assignments used, quality = 0.90: HB3 TYR 27 + QD2 LEU 39 OK 69 100 - 70 - ~8046=24, ~8046=23...(7) HA VAL 71 + QD2 LEU 39 OK 42 100 - 42 - 10758/2.1=10, ~8494=4...(14) HA VAL 82 + QD2 LEU 39 OK 34 85 - 39 - 3.6/6914=6, 10758/2.1=5...(15) HB2 ASP 30 + QD2 LEU 39 OK 12 96 - 12 - 3.8/8132=6, 10758/2.1=2 HB3 ASN 128 - QD2 LEU 39 lone 2 72 - 2 - Peak 8119 from cnoeabs.peaks (2.73, 0.67, 22.21 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: HB2 PHE 38 + QD2 LEU 39 OK 98 100 - 98 - 4.5/8129=48, ~8126=40...(16) HB3 TYR 70 + QD2 LEU 39 OK 87 100 - 87 - 2.6/10940=26, 8119=20...(17) HB3 PHE 43 - QD2 LEU 39 OK 42 68 - 62 - 5.8/8130=39, 4.5/8131=19...(4) HB3 MET 46 - QD2 LEU 39 OK 30 81 - 36 - ~10501=7, 8119=6...(10) HB3 GLU 120 - QD2 LEU 39 OK 20 96 - 21 - 6258/4.8=4, 3.0/8128=3...(6) HB2 ASN 96 - QD2 LEU 39 lone 7 96 - 7 - HB3 ASP 137 - QD2 LEU 39 lone 3 68 - 5 - Peak 8120 from cnoeabs.peaks (2.04, 0.67, 22.21 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.66: HB3 LYS 34 + QD2 LEU 39 OK 49 98 - 50 - 4.6/8132=23, 8120=22...(4) HB2 PRO 33 + QD2 LEU 39 OK 25 100 - 25 - 8120=11, ~8114=5...(6) HG2 PRO 98 + QD2 LEU 39 OK 11 89 - 13 - 8120=5, 6177/8132=1...(4) HB2 GLU 90 - QD2 LEU 39 lone 4 85 - 5 - 6177/8132=1 Peak 8121 from cnoeabs.peaks (1.06, 0.67, 22.21 ppm; 3.18 A): 5 out of 5 assignments used, quality = 0.84: QD2 LEU 26 + QD2 LEU 39 OK 47 62 - 75 - 2.1/10576=14, ~10907=13...(19) HG2 ARG 35 + QD2 LEU 39 OK 38 85 - 45 - 8121=7, 8111/2.1=7...(14) HG3 LYS 114 + QD2 LEU 39 OK 27 94 - 28 - 2.9/11497=8, 8111/2.1=7...(6) HG13 ILE 91 + QD2 LEU 39 OK 23 77 - 29 - 1.8/11497=10, 8111/2.1=8...(7) QG2 VAL 53 + QD2 LEU 39 OK 17 96 - 17 - 8111/2.1=6, 8240/3.9=2...(6) Peak 8122 from cnoeabs.peaks (0.30, 0.67, 22.21 ppm; 3.92 A): 0 out of 1 assignment used, low quality = 0.31: QD2 LEU 42 - QD2 LEU 39 OK 31 81 - 38 - 11436/3.9=9, 8156=7...(13) Peak 8125 from cnoeabs.peaks (6.72, 0.02, 26.33 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.76: HZ PHE 43 + QD1 LEU 39 OK 69 99 - 70 - 8130/2.1=30, 2.2/4755=14...(12) QE TYR 70 + QD1 LEU 39 OK 22 72 - 30 - ~10940=15, 4.5/854=7...(5) Peak 8126 from cnoeabs.peaks (6.96, 0.02, 26.33 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.84: QD PHE 38 + QD1 LEU 39 OK 84 100 - 85 - ~8129=31, 5.0/6267=26...(15) HD21 ASN 139 - QD1 LEU 39 lone 5 77 - 6 - 10757/2.1=2, 11207/8104=2 Peak 8127 from cnoeabs.peaks (7.22, 0.02, 26.33 ppm; 5.36 A): 3 out of 3 assignments used, quality = 0.82: H GLU 37 + QD1 LEU 39 OK 72 99 - 73 - 3.6/8104=36...(8) HE3 TRP 17 + QD1 LEU 39 OK 28 100 - 28 - ~8130=19, 6254/4.3=3...(4) QD PHE 45 + QD1 LEU 39 OK 11 100 - 11 - 657/8104=5, 6254/4.3=2 Peak 8128 from cnoeabs.peaks (4.18, 0.67, 22.21 ppm; 4.47 A): 3 out of 6 assignments used, quality = 0.86: HA PHE 38 + QD2 LEU 39 OK 79 89 - 89 - 3.1/8131=31, 4.7/8129=27...(13) HA TRP 88 + QD2 LEU 39 OK 22 92 - 24 - 8128=3, 10067/11497=3...(10) HA LEU 64 + QD2 LEU 39 OK 16 94 - 17 - 8128=5, ~11517=3...(4) HA GLU 120 - QD2 LEU 39 poor 7 62 - 12 - 8128=3, 6257/4.8=2...(4) HA CYS 121 - QD2 LEU 39 lone 7 92 - 8 - 8128=2, 4.9/8128=1 HG1 THR 74 - QD2 LEU 39 lone 6 92 - 7 - 8694/8701=2 Peak 8129 from cnoeabs.peaks (6.26, 0.67, 22.21 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.54: QE PHE 38 + QD2 LEU 39 OK 54 81 - 66 - 2.2/8131=28, ~8126=14...(12) Peak 8130 from cnoeabs.peaks (6.73, 0.67, 22.21 ppm; 4.26 A): 0 out of 1 assignment used, low quality = 0.29: HZ PHE 43 - QD2 LEU 39 OK 29 62 - 46 - 2.2/8131=15, 8125/2.1=13...(8) Peak 8131 from cnoeabs.peaks (6.98, 0.67, 22.21 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.46: QD PHE 38 + QD2 LEU 39 OK 39 68 - 58 - 2.2/8129=29, 8131=12...(9) HD2 HIS 10 + QD2 LEU 39 OK 11 100 - 11 - 10750/3.2=3, 6260/4.8=2 Peak 8132 from cnoeabs.peaks (7.31, 0.67, 22.21 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.86: H ARG 35 + QD2 LEU 39 OK 68 100 - 68 - ~8100=15, ~8100=14...(16) QD TYR 115 + QD2 LEU 39 OK 40 100 - 40 - 4750=10, 2.5/11113=5...(17) H ASP 30 + QD2 LEU 39 OK 28 100 - 28 - 4.2/10978=9, 8132=6...(6) Peak 8133 from cnoeabs.peaks (7.33, 0.02, 26.33 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.77: H ARG 35 + QD1 LEU 39 OK 54 62 - 86 - 2.8/8100=31...(18) H GLU 81 + QD1 LEU 39 OK 50 99 - 51 - 4.4/11064=12, 8775/2.1=9...(11) Peak 8134 from cnoeabs.peaks (3.84, 1.77, 26.52 ppm; 4.06 A): 3 out of 7 assignments used, quality = 0.65: HA LEU 72 + HG LEU 39 OK 40 89 - 45 - 2.9/852=13, ~860=6...(13) HA GLN 133 + HG LEU 39 OK 28 94 - 30 - 9616/3.0=7, 10311/3.0=5...(9) HA MET 68 + HG LEU 39 OK 19 100 - 19 - ~8442=4, 8117/2.1=3...(6) HB2 SER 100 - HG LEU 39 poor 10 89 - 11 - 10156/4.7=5, 8117/2.1=2 HA ALA 104 - HG LEU 39 lone 9 100 - 9 - 8117/2.1=2, 9811/2.1=1 HB2 SER 127 - HG LEU 39 lone 8 100 - 8 - 8117/2.1=1 HD2 PRO 118 - HG LEU 39 lone 5 81 - 7 - 8117/2.1=1, 9811/2.1=1 Peak 8138 from cnoeabs.peaks (6.72, 4.42, 57.18 ppm; 4.64 A): 0 out of 1 assignment used, low quality = 0.17: HZ PHE 43 - HA ASP 40 OK 17 92 - 18 - 5.8/875=13, 5.8/876=5 Peak 8139 from cnoeabs.peaks (7.16, 2.82, 42.01 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.91: QE TYR 115 + HE3 LYS 114 OK 84 100 - 85 - 10206/3.0=20...(16) QD TYR 117 + HE3 LYS 114 OK 41 85 - 48 - 8140/1.8=24...(6) Peak 8140 from cnoeabs.peaks (7.16, 2.76, 42.01 ppm; 3.97 A): 3 out of 6 assignments used, quality = 0.94: QE TYR 115 + HE2 LYS 114 OK 86 100 - 87 - 8139/1.8=25...(17) QD TYR 117 + HE2 LYS 114 OK 41 85 - 48 - 8139/1.8=26...(5) QE TYR 115 + HE2 LYS 76 OK 23 89 - 26 - 9347/1.8=3, 9347=3...(11) QE TYR 115 - HE3 LYS 76 OK 22 85 - 26 - 9347=3, 9347/1.8=3...(12) QD TYR 117 - HE2 LYS 76 lone 6 72 - 8 - 8139/3828=2, 8716/8725=2 QD TYR 117 - HE3 LYS 76 lone 5 68 - 8 - 8139/3828=2, 8716/8725=2 Peak 8143 from cnoeabs.peaks (1.00, 0.52, 22.80 ppm; 3.20 A): 3 out of 4 assignments used, quality = 0.93: QD2 LEU 116 + QD1 LEU 42 OK 78 99 - 79 - 9392/2.1=32, 8143=24...(23) QD2 LEU 69 + QD1 LEU 42 OK 48 98 - 49 - 8143=16, 8155/2.1=9...(14) QD1 LEU 116 + QD1 LEU 42 OK 43 62 - 70 - ~9392=17, 2.1/8143=16...(18) HG12 ILE 136 - QD1 LEU 42 lone 6 68 - 9 - 8155/2.1=1, 3899/9391=1 Peak 8145 from cnoeabs.peaks (1.43, 0.52, 22.80 ppm; 5.92 A): 2 out of 3 assignments used, quality = 0.85: HG12 ILE 91 + QD1 LEU 42 OK 78 89 - 88 - 8154/2.1=21, 3.0/8147=17...(25) HB3 LYS 114 + QD1 LEU 42 OK 29 98 - 30 - 8154/2.1=9, 3.6/8145=7...(9) HG2 LYS 48 - QD1 LEU 42 poor 8 68 - 12 - 8154/2.1=4, 10213/10279=1 Peak 8147 from cnoeabs.peaks (2.40, 0.52, 22.80 ppm; 4.05 A): 4 out of 4 assignments used, quality = 0.76: QE MET 46 + QD1 LEU 42 OK 43 68 - 64 - 10701=23, 3.3/10708=18...(10) HG2 MET 46 + QD1 LEU 42 OK 40 62 - 63 - 3.3/10701=26...(10) HB3 PRO 118 + QD1 LEU 42 OK 21 62 - 34 - 4.3/9420=19, 8147=7...(4) HG3 GLN 25 + QD1 LEU 42 OK 11 100 - 11 - 8147=3, 1086/10701=1, ~8163=1 Peak 8148 from cnoeabs.peaks (2.77, 0.52, 22.80 ppm; 4.11 A): 6 out of 8 assignments used, quality = 0.86: HB3 TYR 119 + QD1 LEU 42 OK 55 62 - 88 - 2.7/8160=37...(15) HB2 ASP 41 + QD1 LEU 42 OK 28 98 - 29 - 1.8/8148=13, 6309/4.4=12 HE3 LYS 76 + QD1 LEU 42 OK 24 98 - 25 - ~8666=6, ~8663=5...(8) HE2 LYS 76 + QD1 LEU 42 OK 21 89 - 24 - ~8666=6, ~8663=5...(7) HB3 ASN 84 + QD1 LEU 42 OK 17 68 - 26 - 8148=7, ~8852=5...(8) HE2 LYS 114 + QD1 LEU 42 OK 16 92 - 17 - 3.0/8145=4, 4.9/8145=3...(6) HG3 GLN 111 - QD1 LEU 42 lone 5 72 - 7 - 3983/9421=1, 3993/11106=1 HB3 ASP 40 - QD1 LEU 42 lone 3 72 - 4 - Peak 8149 from cnoeabs.peaks (2.91, 0.52, 22.80 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.66: HB2 TYR 119 + QD1 LEU 42 OK 62 68 - 92 - 2.7/8160=42, 3.0/9421=30...(15) HB2 HIS 14 + QD1 LEU 42 OK 11 62 - 17 - 1.8/8149=15 HD2 ARG 35 - QD1 LEU 42 lone 2 100 - 2 - 3.8/8145=2 Peak 8150 from cnoeabs.peaks (3.11, 0.52, 22.80 ppm; 4.42 A): 5 out of 6 assignments used, quality = 0.55: HB3 ASN 96 + QD1 LEU 42 OK 21 98 - 22 - 8150=5, ~9084=4...(7) HD2 ARG 109 + QD1 LEU 42 OK 17 94 - 18 - 8150=6, ~11060=4...(4) HD2 ARG 145 + QD1 LEU 42 OK 13 85 - 15 - 8150=5, 1.8/8150=4...(6) HD3 ARG 145 + QD1 LEU 42 OK 12 81 - 14 - 8150=4, 1.8/8150=4...(6) HA ALA 105 + QD1 LEU 42 OK 11 100 - 11 - 8150=4, 10206/10717=2, ~9220=1 HB3 HIS 10 - QD1 LEU 42 lone 1 96 - 1 - Peak 8151 from cnoeabs.peaks (3.19, 0.52, 22.80 ppm; 4.39 A): 0 out of 6 assignments used, low quality = 0.39: HA VAL 73 - QD1 LEU 42 OK 39 100 - 39 - ~8586=21, 8151=5...(6) HD3 ARG 55 - QD1 LEU 42 lone 2 100 - 2 - HD2 ARG 55 - QD1 LEU 42 lone 2 89 - 3 - HD3 ARG 144 - QD1 LEU 42 lone 2 100 - 2 - HD2 ARG 144 - QD1 LEU 42 lone 2 96 - 2 - HD2 ARG 141 - QD1 LEU 42 lone 1 77 - 2 - Peak 8152 from cnoeabs.peaks (3.16, 0.31, 25.30 ppm; 5.95 A): 0 out of 2 assignments used, low quality = 0.42: HB2 TRP 17 - QD2 LEU 42 OK 27 92 - 30 - 8152=19, 8805/8812=8, 7.3/8163=2 HB2 TYR 70 - QD2 LEU 42 OK 21 68 - 31 - 8152=13, 11540/8162=8...(5) Peak 8154 from cnoeabs.peaks (1.44, 0.31, 25.30 ppm; 5.21 A): 5 out of 5 assignments used, quality = 0.93: HG12 ILE 91 + QD2 LEU 42 OK 70 81 - 86 - 8145/2.1=21, 8154=19...(22) HB3 LEU 66 + QD2 LEU 42 OK 45 62 - 72 - 3.1/8405=41, 3.1/9893=27...(13) HB3 LYS 114 + QD2 LEU 42 OK 35 100 - 35 - 8145/2.1=8, 11497/8122=6...(9) HB3 LYS 123 + QD2 LEU 42 OK 27 62 - 43 - 8154=9, 1.8/4110=5...(13) HG2 LYS 48 + QD2 LEU 42 OK 10 77 - 13 - 8154=4, 8145/2.1=2 Peak 8155 from cnoeabs.peaks (1.00, 0.31, 25.30 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.97: QD2 LEU 116 + QD2 LEU 42 OK 86 99 - 87 - 9392=49, 9391/2.1=29...(21) QD2 LEU 69 + QD2 LEU 42 OK 55 98 - 56 - 8155=15, 8143/2.1=12...(15) QD1 LEU 116 + QD2 LEU 42 OK 53 62 - 85 - 2.1/9392=38, ~9391=17...(22) HG12 ILE 136 - QD2 LEU 42 OK 10 68 - 15 - 3899/9392=4, 9889/9893=2...(5) Peak 8156 from cnoeabs.peaks (0.65, 0.31, 25.30 ppm; 3.40 A): 0 out of 2 assignments used, low quality = 0.44: QD2 LEU 66 - QD2 LEU 42 OK 31 62 - 49 - 8405=18, 2.1/9893=17...(12) QD2 LEU 39 - QD2 LEU 42 OK 19 68 - 28 - 8122=12, 3.9/11436=4...(7) Peak 8157 from cnoeabs.peaks (4.19, 0.52, 22.80 ppm; 4.85 A): 3 out of 3 assignments used, quality = 0.90: HA PHE 43 + QD1 LEU 42 OK 78 85 - 92 - 2.8/6329=38, 4.9/914=30...(15) HA CYS 121 + QD1 LEU 42 OK 39 100 - 39 - 2.9/10740=13...(8) HA PHE 67 + QD1 LEU 42 OK 25 96 - 25 - 8396/8159=4, 8157=3...(11) Peak 8158 from cnoeabs.peaks (4.75, 0.52, 22.80 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.49: HA TYR 117 + QD1 LEU 42 OK 49 98 - 50 - 8158=30, 3.0/947=8...(8) Peak 8159 from cnoeabs.peaks (6.26, 0.52, 22.80 ppm; 3.77 A): 0 out of 1 assignment used, low quality = 0.40: QE PHE 38 - QD1 LEU 42 OK 40 89 - 45 - 8164/3.9=19, 8166/4.4=13...(5) Peak 8160 from cnoeabs.peaks (6.32, 0.52, 22.80 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.77: QD TYR 119 + QD1 LEU 42 OK 77 92 - 83 - 8160=23, 2.7/11106=20...(13) Peak 8161 from cnoeabs.peaks (7.21, 0.52, 22.80 ppm; 4.07 A): 3 out of 5 assignments used, quality = 0.77: QD PHE 45 + QD1 LEU 42 OK 62 92 - 67 - 8161=26, 2.2/10738=26...(12) H GLU 37 + QD1 LEU 42 OK 32 100 - 32 - 8161=13, 3.6/10739=4...(11) HE3 TRP 88 + QD1 LEU 42 OK 11 72 - 15 - 5.1/8157=3, 10303/9421=2...(8) QD TYR 27 - QD1 LEU 42 poor 8 77 - 10 - 4788/8158=4 HE3 TRP 17 - QD1 LEU 42 lone 7 99 - 7 - 4770/9421=2, 4.3/10737=1 Peak 8162 from cnoeabs.peaks (6.24, 0.31, 25.30 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.75: QE TYR 119 + QD2 LEU 42 OK 75 100 - 76 - 2.2/10735=30, ~8160=24...(9) Peak 8163 from cnoeabs.peaks (7.00, 0.31, 25.30 ppm; 4.78 A): 5 out of 6 assignments used, quality = 0.83: QE PHE 43 + QD2 LEU 42 OK 50 99 - 50 - 11224=23, 6.2/10744=15...(7) HZ PHE 45 + QD2 LEU 42 OK 44 92 - 48 - ~10738=26, 10737/2.1=13...(6) HZ PHE 67 + QD2 LEU 42 OK 19 100 - 19 - 11224=9, 10737/2.1=3...(4) HD22 ASN 128 + QD2 LEU 42 OK 14 100 - 14 - ~9524=5, 10737/2.1=4, ~8148=4 HH2 TRP 17 + QD2 LEU 42 OK 12 99 - 12 - 7.3/8152=6, 8163=2, 10737/2.1=2 HD22 ASN 130 - QD2 LEU 42 lone 5 100 - 5 - 10737/2.1=2 Peak 8164 from cnoeabs.peaks (6.26, 3.45, 57.70 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.51: QE PHE 38 + HA LEU 42 OK 51 89 - 58 - 8159/3.9=31, 8166/2.9=24 Peak 8165 from cnoeabs.peaks (6.32, 3.45, 57.70 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.69: QD TYR 119 + HA LEU 42 OK 69 100 - 70 - 4735=30, 8160/3.9=30...(9) Peak 8167 from cnoeabs.peaks (1.68, 4.16, 62.87 ppm; 6.18 A): 6 out of 12 assignments used, quality = 0.75: HD2 LYS 93 + HB3 SER 44 OK 24 94 - 25 - 10108/3.9=3, 3.0/9815=3...(9) HD2 LYS 93 + HB2 SER 44 OK 24 94 - 25 - 10108/3.9=3, 3.0/9815=3...(9) HD3 LYS 48 + HB3 SER 44 OK 21 77 - 28 - 3.0/11499=6, 3.0/9815=6...(7) HD3 LYS 48 + HB2 SER 44 OK 21 77 - 28 - 3.0/11499=6, 3.0/9815=6...(7) HG LEU 26 + HB3 SER 44 OK 17 99 - 17 - 2.1/10900=4, ~10900=4...(5) HG LEU 26 + HB2 SER 44 OK 17 99 - 17 - 2.1/10900=4, ~10900=4...(5) HG LEU 97 - HB3 SER 44 lone 5 100 - 5 - 10139/3.9=1 HG LEU 97 - HB2 SER 44 lone 5 100 - 5 - 10139/3.9=1 HG3 ARG 141 - HB3 SER 44 lone 5 100 - 5 - 10505/10900=1 HG3 ARG 141 - HB2 SER 44 lone 5 100 - 5 - 10505/10900=1 HB2 LYS 85 - HB3 SER 44 lone 5 62 - 7 - 4.8/9815=1, 4.8/9815=1 HB2 LYS 85 - HB2 SER 44 lone 5 62 - 7 - 4.8/9815=1, 4.8/9815=1 Peak 8168 from cnoeabs.peaks (2.33, 4.16, 62.87 ppm; 5.62 A): 2 out of 6 assignments used, quality = 0.99: HB3 GLN 47 + HB3 SER 44 OK 90 96 - 93 - 998/3.0=40, ~997=33...(13) HB3 GLN 47 + HB2 SER 44 OK 90 96 - 93 - 998/3.0=40, ~997=33...(13) HG3 GLU 120 - HB2 SER 44 OK 24 72 - 33 - 3.0/11500=4, 3.0/4015=3...(14) HG3 GLU 120 - HB3 SER 44 OK 24 72 - 33 - 3.0/11500=4, ~11500=3...(14) HG2 GLU 142 - HB2 SER 44 lone 4 96 - 4 - HG2 GLU 142 - HB3 SER 44 lone 4 96 - 4 - Peak 8170 from cnoeabs.peaks (7.30, 2.42, 18.74 ppm; 3.45 A): 4 out of 4 assignments used, quality = 0.82: QD TYR 115 + QE MET 46 OK 61 98 - 62 - 2.2/8171=27...(12) H ASP 30 + QE MET 46 OK 34 94 - 36 - 3.0/10695=20...(7) H PHE 67 + QE MET 46 OK 19 85 - 23 - 10704/4.2=3, 2.8/10486=3...(9) H ARG 35 + QE MET 46 OK 15 85 - 17 - 3.6/10485=3, 3.6/10491=2...(5) Peak 8171 from cnoeabs.peaks (7.16, 2.42, 18.74 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.70: QE TYR 115 + QE MET 46 OK 62 100 - 62 - 2.2/8170=19...(17) QD TYR 117 + QE MET 46 OK 22 72 - 31 - 4.5/10478=8, 2.7/1087=5...(12) Peak 8172 from cnoeabs.peaks (7.21, 3.22, 34.70 ppm; 4.94 A): 3 out of 5 assignments used, quality = 0.54: H GLU 37 + HG3 MET 46 OK 32 91 - 35 - 10682/4.1=12, 8105/3.0=6...(10) HE3 TRP 88 + HG3 MET 46 OK 18 94 - 20 - 10682/4.1=9, 11062/1.8=5...(5) QD PHE 45 + HG3 MET 46 OK 18 67 - 27 - 4.8/1074=14...(5) QD TYR 27 - HG3 MET 46 lone 7 96 - 7 - 10682/4.1=4 HE3 TRP 17 - HG3 MET 46 lone 3 85 - 3 - 10682/4.1=1 Peak 8174 from cnoeabs.peaks (4.09, 3.80, 59.57 ppm; 4.11 A): 4 out of 5 assignments used, quality = 0.85: HA PRO 52 + HA GLN 47 OK 72 99 - 72 - 10459/2.9=24...(11) HD3 PRO 33 + HA GLN 47 OK 29 100 - 29 - ~10678=5, 10981/2.9=4...(8) HA VAL 53 + HA GLN 47 OK 14 68 - 21 - 9839=10, ~8184=5...(6) HA THR 99 + HA GLN 47 OK 11 89 - 12 - ~7163=2, ~9151=1...(5) HB THR 110 - HA GLN 47 lone 6 72 - 8 - 1333/10454=2, 1325/10673=1 Peak 8178 from cnoeabs.peaks (4.48, 2.42, 33.10 ppm; 4.01 A): 2 out of 16 assignments used, quality = 0.92: HA SER 44 + HG3 GLN 47 OK 71 94 - 75 - 997/3.0=26, 998/3.0=24...(13) HA SER 44 + HG2 GLN 47 OK 71 94 - 75 - 997/3.0=26, 998/3.0=24...(13) HA SER 103 - HG3 GLN 47 OK 21 92 - 22 - 1099/3.0=4, 1109/3.0=4...(9) HA SER 103 - HG2 GLN 47 OK 21 92 - 22 - 1099/3.0=4, 1109/3.0=4...(9) HA SER 44 - HG2 GLN 133 OK 17 86 - 19 - 10440/3.5=9, 10441/3.5=3...(5) HA SER 44 - HG3 GLN 133 OK 16 82 - 19 - 10440/3.5=9, 10441/3.5=3...(5) HA ASP 137 - HG2 GLN 133 poor 10 59 - 17 - 10441/3.5=9, 2.9/10471=5 HA SER 103 - HG2 GLN 133 poor 10 83 - 12 - 10440/3.5=5, 10441/3.5=2 HA ASP 137 - HG2 GLN 47 poor 9 68 - 14 - 1099/3.0=2, 6395/4.9=2...(6) HA ASP 137 - HG3 GLN 47 poor 9 68 - 14 - 1099/3.0=2, 6395/4.9=2...(6) HA ASP 137 - HG3 GLN 133 poor 9 56 - 17 - 10441/3.5=9, ~10471=5 HA SER 103 - HG3 GLN 133 poor 9 79 - 11 - 10440/3.5=5, 10441/3.5=2 HA3 GLY 31 - HG3 GLN 47 lone 4 89 - 5 - HA3 GLY 31 - HG2 GLN 47 lone 4 89 - 5 - HA3 GLY 31 - HG2 GLN 133 lone 1 80 - 2 - HA3 GLY 31 - HG3 GLN 133 lone 1 76 - 2 - Peak 8179 from cnoeabs.peaks (4.58, 2.42, 33.10 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.51: HA ASN 130 + HG2 GLN 133 OK 31 64 - 48 - 7674/4.5=13, 4416/2.9=9...(9) HA ASN 130 + HG3 GLN 133 OK 30 60 - 50 - 7674/4.5=13, 4416/2.9=9...(10) HA ASN 130 - HG2 GLN 47 lone 7 72 - 9 - 10285=2, 10285/1.8=1 HA ASN 130 - HG3 GLN 47 lone 7 72 - 9 - 10285=2, 10285/1.8=1 Peak 8185 from cnoeabs.peaks (0.90, 2.42, 33.10 ppm; 4.52 A): 6 out of 20 assignments used, quality = 0.94: QD2 LEU 29 + HG2 GLN 133 OK 47 73 - 65 - 9610/3.5=14, 8066/1.8=9...(26) QD2 LEU 29 + HG3 GLN 133 OK 45 68 - 65 - 9610/3.5=14, 8066/1.8=8...(26) QG1 VAL 53 + HG2 GLN 133 OK 41 94 - 44 - 9610/3.5=9, 8185=7...(12) QG1 VAL 53 + HG3 GLN 133 OK 37 90 - 41 - 9610/3.5=9, 8185=6...(12) QG2 VAL 80 + HG2 GLN 133 OK 26 77 - 33 - 9957/4.5=16, 9617/4.0=8...(4) QG2 VAL 80 + HG3 GLN 133 OK 24 72 - 33 - 9957/4.5=16, 9617/4.0=8...(4) QG1 VAL 63 - HG2 GLN 133 OK 17 93 - 18 - 9610/3.5=4, 9622/4.5=3...(5) QG1 VAL 63 - HG3 GLN 133 OK 16 89 - 18 - 9610/3.5=4, 9622/4.5=3...(5) QG1 VAL 53 - HG2 GLN 47 OK 13 100 - 13 - 8185=2, 8185/1.8=2...(4) QG1 VAL 53 - HG3 GLN 47 OK 13 100 - 13 - 8185=2, 8185/1.8=2...(4) QG1 VAL 63 - HG2 GLN 47 lone 9 100 - 9 - 9836/3.5=2, 8185=1, 8185/1.8=1 QG1 VAL 63 - HG3 GLN 47 lone 9 100 - 9 - 9836/3.5=2, 8185=1, 8185/1.8=1 QD2 LEU 29 - HG3 GLN 47 lone 8 81 - 10 - 8066/1.8=1 QD2 LEU 29 - HG2 GLN 47 lone 8 81 - 10 - 8066/1.8=1 HB2 LEU 64 - HG2 GLN 133 poor 8 55 - 14 - ~8373=3, ~8373=2...(6) HB2 LEU 64 - HG3 GLN 133 poor 7 51 - 14 - ~8373=3, ~8373=2...(6) QG2 VAL 80 - HG3 GLN 47 lone 5 85 - 5 - QG2 VAL 80 - HG2 GLN 47 lone 5 85 - 5 - HB2 LEU 64 - HG2 GLN 47 lone 3 62 - 5 - HB2 LEU 64 - HG3 GLN 47 lone 3 62 - 5 - Peak 8186 from cnoeabs.peaks (4.23, 1.45, 25.35 ppm; 4.97 A): 4 out of 7 assignments used, quality = 0.97: HA LYS 93 + HG2 LYS 48 OK 73 89 - 82 - 10469/1.8=11, 4.9/1178=8...(36) HA LYS 85 + HG2 LYS 48 OK 58 100 - 59 - 2572/2.9=7, 10469/1.8=7...(26) HA ARG 141 + HG2 LYS 48 OK 50 81 - 61 - 10502/3.8=11...(31) HA PHE 45 + HG2 LYS 48 OK 39 89 - 44 - 1019/4.9=16, 1020/2.9=8...(8) HA ILE 101 - HG2 LYS 48 OK 15 68 - 22 - 1019/4.9=4, 1020/2.9=3...(7) HB THR 102 - HG2 LYS 48 poor 10 96 - 10 - 10469/1.8=1 HA THR 102 - HG2 LYS 48 poor 8 77 - 10 - 10469/1.8=2, 6431/4.9=1 Peak 8193 from cnoeabs.peaks (3.90, 2.07, 44.17 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.85: HD3 PRO 98 + HD2 ARG 49 OK 63 100 - 63 - 8195/3.0=26, 8196/3.7=14...(14) HA MET 46 + HD2 ARG 49 OK 61 99 - 62 - 8194/1.8=20, 11504=16...(9) HA TYR 112 - HD2 ARG 49 poor 8 62 - 13 - 8194/1.8=3, 9824/3.7=3...(4) Peak 8194 from cnoeabs.peaks (3.91, 3.08, 44.17 ppm; 5.22 A): 3 out of 3 assignments used, quality = 0.90: HA MET 46 + HD3 ARG 49 OK 68 96 - 71 - 11503=23, 11504/1.8=18...(10) HD3 PRO 98 + HD3 ARG 49 OK 63 89 - 71 - 8193/1.8=28, 8196/3.7=17...(13) HA TYR 112 + HD3 ARG 49 OK 20 98 - 20 - 9824/3.7=5, 9802/3.0=3...(6) Peak 8195 from cnoeabs.peaks (3.87, 1.39, 26.78 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.53: HA LYS 36 + HG2 ARG 49 OK 53 100 - 53 - 660=8, ~9826=8...(19) HA LYS 36 - HG LEU 132 poor 8 55 - 15 - 9590/4.8=6, 660=4...(4) Peak 8196 from cnoeabs.peaks (3.88, 1.34, 30.11 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.72: HD3 PRO 98 + HB3 ARG 49 OK 58 72 - 80 - 8195/3.0=34, 8193/3.7=16...(16) HA LYS 36 + HB3 ARG 49 OK 32 62 - 52 - 8195/3.0=21, 3.8/1260=5...(14) Peak 8198 from cnoeabs.peaks (3.93, 4.27, 55.41 ppm; 4.93 A): 3 out of 5 assignments used, quality = 0.80: HD2 PRO 129 + HA ARG 49 OK 50 99 - 50 - 9824/3.0=13, 3.0/1244=8...(15) HA2 GLY 143 + HA ARG 49 OK 50 94 - 53 - 1.8/9754=27, 3.5/8200=13...(8) HA LYS 86 + HA ARG 49 OK 19 96 - 20 - 2674/3.9=6, 3.9/1242=5...(5) HA TYR 112 - HA ARG 49 poor 8 62 - 13 - ~7371=5, 7395/2.9=4...(4) HA LEU 29 - HA ARG 49 lone 6 62 - 10 - 4.0/10658=5, ~7409=1 Peak 8200 from cnoeabs.peaks (8.03, 4.27, 55.41 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.79: H THR 51 + HA ARG 49 OK 47 68 - 70 - 6482/3.6=23...(9) H ARG 144 + HA ARG 49 OK 47 100 - 47 - 3.5/9754=18, 3.5/8198=10...(10) H ILE 58 + HA ARG 49 OK 26 94 - 28 - ~10418=12, 8202/3.0=5...(7) Peak 8201 from cnoeabs.peaks (8.01, 1.74, 30.11 ppm; 4.87 A): 4 out of 6 assignments used, quality = 0.88: H THR 51 + HB2 ARG 49 OK 72 92 - 78 - 8220=28, 6482/4.7=27...(10) H ARG 140 + HB2 ARG 49 OK 28 77 - 37 - 2.9/4708=6, 3.2/7837=4...(15) H ARG 145 + HB2 ARG 49 OK 28 100 - 28 - 8199/3.7=6, 6482/4.7=5...(9) H GLN 47 + HB2 ARG 49 OK 15 62 - 25 - ~10663=7, 3.6/9824=7...(4) H VAL 73 - HB2 ARG 49 poor 9 89 - 10 - 10001/11010=2, 8580/10467=2 H ALA 104 - HB2 ARG 49 lone 6 94 - 6 - Peak 8202 from cnoeabs.peaks (8.02, 1.34, 30.11 ppm; 5.27 A): 4 out of 4 assignments used, quality = 0.91: H THR 51 + HB3 ARG 49 OK 75 92 - 81 - 6482/4.7=30, 8220/1.8=28...(10) H ARG 144 + HB3 ARG 49 OK 38 89 - 42 - 8200/3.0=14, 4.0/1258=6...(12) H ILE 58 + HB3 ARG 49 OK 29 72 - 41 - 3.0/10418=21, 8200/3.0=8...(7) H ARG 145 + HB3 ARG 49 OK 16 68 - 23 - 6482/4.7=6, 4.3/1258=5...(6) Peak 8203 from cnoeabs.peaks (8.02, 3.26, 50.40 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.91: H THR 51 + HD2 PRO 52 OK 90 92 - 98 - 4.8=78, 8205/1.8=38...(12) H ARG 145 + HD2 PRO 52 OK 11 68 - 16 - 8204/1.8=4, 1313/4.8=4...(5) H ARG 144 - HD2 PRO 52 lone 8 89 - 9 - 7884/4.8=3, 3.0/8234=3 H ILE 58 - HD2 PRO 52 lone 1 72 - 2 - Peak 8204 from cnoeabs.peaks (8.01, 3.54, 50.40 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.98: * H THR 51 + HD3 PRO 52 OK 98 100 - 98 - 4.8=81, 2.9/1323=33...(12) H ARG 145 - HD3 PRO 52 OK 16 96 - 17 - 1313/4.8=5, 1317/4.6=5...(5) H ALA 104 - HD3 PRO 52 lone 3 62 - 5 - Peak 8210 from cnoeabs.peaks (3.53, 4.36, 69.71 ppm; 5.19 A): 3 out of 3 assignments used, quality = 0.90: HD3 PRO 52 + HB THR 51 OK 85 85 - 100 - 4.8=100 HA2 GLY 77 + HB THR 51 OK 20 77 - 26 - 8214/2.1=7, ~1311=3...(9) HB2 PHE 45 + HB THR 51 OK 16 81 - 20 - 8214/2.1=11, 1331/4.8=4 Peak 8211 from cnoeabs.peaks (3.26, 4.36, 69.71 ppm; 6.12 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 52 + HB THR 51 OK 100 100 - 100 - 4.8=100 HD2 ARG 89 - HB THR 51 OK 45 92 - 49 - 8215/2.1=17, ~8215=12...(7) HB2 TYR 112 - HB THR 51 OK 44 100 - 44 - 8215/2.1=13, ~9305=12...(6) Peak 8213 from cnoeabs.peaks (3.84, 0.96, 19.03 ppm; 4.83 A): 7 out of 8 assignments used, quality = 0.81: HD2 PRO 118 + QG2 THR 51 OK 29 89 - 33 - 3.0/8229=10, ~8223=7...(6) HB2 SER 127 + QG2 THR 51 OK 27 98 - 28 - 4320/3.2=6, 3.0/1318=5...(6) HA GLN 133 + QG2 THR 51 OK 24 98 - 24 - 9616=4, 4.0/8229=3...(7) HA MET 68 + QG2 THR 51 OK 22 99 - 22 - 3.7/10992=7, 4.6/10461=4...(5) HA LEU 72 + QG2 THR 51 OK 17 81 - 21 - 8539=6, 3.6/8580=6...(4) HA LEU 66 + QG2 THR 51 OK 15 68 - 23 - 4.0/10990=4, 3.7/8227=4...(5) HA ALA 104 + QG2 THR 51 OK 10 100 - 10 - 9194/8224=1, 2.8/1317=1 HB2 SER 100 - QG2 THR 51 lone 5 94 - 5 - Peak 8214 from cnoeabs.peaks (3.53, 0.96, 19.03 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.89: HD3 PRO 52 + QG2 THR 51 OK 82 85 - 96 - 4.6=72, 3.8/1318=26...(14) HB2 PHE 45 + QG2 THR 51 OK 29 81 - 35 - 4.4/10648=17...(5) HA2 GLY 77 + QG2 THR 51 OK 12 77 - 16 - 8210/2.1=6, 1.8/1319=3...(5) Peak 8215 from cnoeabs.peaks (3.25, 0.96, 19.03 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.99: HD2 PRO 52 + QG2 THR 51 OK 99 100 - 100 - 4.6=96, 3.8/1318=30...(14) HD2 ARG 89 - QG2 THR 51 OK 34 98 - 35 - 8211/2.1=8, 1322/3.2=6...(9) HB2 TYR 112 - QG2 THR 51 OK 29 100 - 29 - 8211/2.1=7, 1338/4.6=7...(7) Peak 8216 from cnoeabs.peaks (3.07, 0.96, 19.03 ppm; 5.82 A): 8 out of 10 assignments used, quality = 0.85: HD3 ARG 49 + QG2 THR 51 OK 64 81 - 78 - 3.7/8225=22...(11) HB2 TYR 27 + QG2 THR 51 OK 15 92 - 16 - 3.0/8045=7, 3.9/11187=4 HB3 ASP 30 + QG2 THR 51 OK 13 100 - 13 - 3.8/6135=9 HE3 LYS 34 + QG2 THR 51 OK 12 89 - 13 - 4.6/10460=4, 3.7/8226=4 HA2 GLY 78 + QG2 THR 51 OK 12 72 - 16 - 1.8/10463=3, ~6838=2...(7) HB3 TRP 88 + QG2 THR 51 OK 11 100 - 11 - 3.9/10646=2, 2843/10646=2 HE2 LYS 86 + QG2 THR 51 OK 11 100 - 11 - 4.9/10461=1, 1263/8225=1 HE3 LYS 86 + QG2 THR 51 OK 10 99 - 11 - 4.9/10461=1, 1263/8225=1 HA TYR 119 - QG2 THR 51 poor 10 62 - 15 - 9428/10648=6, 9429/10649=3 HE2 LYS 34 - QG2 THR 51 poor 9 72 - 13 - 4.6/10460=4, 3.7/8226=4 Peak 8223 from cnoeabs.peaks (2.40, 4.36, 69.71 ppm; 4.26 A): 3 out of 4 assignments used, quality = 0.57: QE MET 46 + HB THR 51 OK 35 77 - 45 - 10487=20, 8229/2.1=13...(7) HB3 PRO 118 + HB THR 51 OK 22 72 - 30 - 8229/2.1=9, 10640/4.8=5...(9) HG3 GLN 25 + HB THR 51 OK 17 99 - 17 - 8229/2.1=7, 10640/4.8=2...(6) HG3 GLN 133 - HB THR 51 lone 6 62 - 10 - 8229/2.1=4, 10640/4.8=1...(4) Peak 8225 from cnoeabs.peaks (1.37, 0.96, 19.03 ppm; 3.75 A): 0 out of 5 assignments used, low quality = 0.35: HB3 LEU 39 - QG2 THR 51 OK 28 94 - 30 - 8222/4.0=10, 3.0/10462=5...(8) HG LEU 132 - QG2 THR 51 OK 10 92 - 11 - 8222/4.0=5, 3.0/8227=1 HB VAL 82 - QG2 THR 51 lone 9 100 - 9 - 8222/4.0=5, 8795/8588=1 HB2 LEU 69 - QG2 THR 51 poor 7 68 - 10 - 4.6/10646=3, 1.8/10461=2 HB2 ARG 109 - QG2 THR 51 lone 5 81 - 6 - 8222/4.0=2 Peak 8226 from cnoeabs.peaks (1.63, 0.96, 19.03 ppm; 4.28 A): 5 out of 7 assignments used, quality = 0.86: HG3 ARG 49 + QG2 THR 51 OK 50 77 - 65 - 3.0/8216=20, 3.0/8225=18...(8) HG3 ARG 144 + QG2 THR 51 OK 45 85 - 53 - 8221/4.0=11, 3.0/10462=6...(15) HB3 LEU 26 + QG2 THR 51 OK 31 89 - 34 - 3.1/10570=5, ~10562=5...(9) HG3 LYS 34 + QG2 THR 51 OK 15 100 - 15 - 2.9/10460=3, 3.7/8216=1 HB3 LEU 64 + QG2 THR 51 OK 11 85 - 13 - 3.0/8224=6, 9026/8224=2 HD2 LYS 24 - QG2 THR 51 lone 9 100 - 8 - 11345/10647=2, 8221/4.0=1 HB2 LEU 87 - QG2 THR 51 lone 4 81 - 5 - Peak 8227 from cnoeabs.peaks (1.92, 0.96, 19.03 ppm; 5.04 A): 4 out of 13 assignments used, quality = 0.94: HB3 PRO 52 + QG2 THR 51 OK 59 68 - 88 - 3.0/8214=27, 3.0/8232=24...(10) HG2 PRO 52 + QG2 THR 51 OK 57 62 - 91 - 2.3/8214=30, 2.3/8232=26...(10) HB2 PRO 118 + QG2 THR 51 OK 46 100 - 47 - 1.8/8229=13, ~8223=9...(11) HB2 ARG 89 + QG2 THR 51 OK 31 85 - 37 - 3.5/8215=16, 3.5/8215=10...(6) HB3 LEU 132 - QG2 THR 51 OK 19 100 - 19 - 3.0/8225=8, ~8209=2...(5) HG2 PRO 12 - QG2 THR 51 OK 17 100 - 17 - 11254/10649=4...(5) HB2 MET 59 - QG2 THR 51 OK 16 99 - 16 - 3.0/8229=5, 3.0/8229=4, ~8223=3 HB2 ARG 140 - QG2 THR 51 OK 15 99 - 15 - 2.9/8227=2, 2892/8215=2...(5) HG3 PRO 12 - QG2 THR 51 OK 14 100 - 14 - 11254/10649=4...(4) HG13 ILE 83 - QG2 THR 51 OK 11 89 - 13 - 11136/8225=3, 10984/8216=2 HB ILE 136 - QG2 THR 51 poor 9 81 - 11 - 1328/4.6=1, 1336/4.6=1 HB2 LYS 86 - QG2 THR 51 lone 8 94 - 8 - 11511/8216=1, 4.9/8216=1 HB2 GLN 62 - QG2 THR 51 lone 6 100 - 6 - Peak 8228 from cnoeabs.peaks (2.11, 0.96, 19.03 ppm; 5.31 A): 3 out of 5 assignments used, quality = 0.46: HB VAL 73 + QG2 THR 51 OK 28 94 - 30 - 3.0/10462=8, 2.1/8588=8...(6) HG2 PRO 33 + QG2 THR 51 OK 14 77 - 18 - 2.3/10460=6, 2.3/9915=3 HB2 GLU 75 + QG2 THR 51 OK 13 89 - 15 - 10689/8229=2, 1.8/8228=2...(7) HB VAL 53 - QG2 THR 51 lone 5 68 - 7 - ~8209=4 HB3 GLU 142 - QG2 THR 51 lone 4 62 - 6 - 3.0/10651=2, 1.8/8228=2 Peak 8229 from cnoeabs.peaks (2.40, 0.96, 19.03 ppm; 4.47 A): 4 out of 4 assignments used, quality = 0.67: QE MET 46 + QG2 THR 51 OK 38 77 - 49 - 10487/2.1=18...(10) HB3 PRO 118 + QG2 THR 51 OK 27 72 - 37 - 8223/2.1=11, 3.0/8213=6...(8) HG3 GLN 25 + QG2 THR 51 OK 20 99 - 20 - 8223/2.1=8, 10640/4.6=3...(5) HG3 GLN 133 + QG2 THR 51 OK 11 62 - 17 - 4.0/8213=4, 8223/2.1=3...(7) Peak 8230 from cnoeabs.peaks (3.23, 4.26, 44.44 ppm; 5.17 A): 0 out of 3 assignments used, low quality = 0.25: HD3 ARG 89 - HA2 GLY 50 OK 15 100 - 15 - ~8189=6, 5.5/2858=3...(4) HD2 ARG 89 - HA2 GLY 50 OK 11 72 - 16 - 8189/2.9=3, 8215/10651=3...(5) HD2 ARG 140 - HA2 GLY 50 poor 9 77 - 12 - ~6474=3, ~8191=2, 3.4/10465=2 Peak 8231 from cnoeabs.peaks (3.81, 3.26, 50.40 ppm; 4.31 A): 3 out of 4 assignments used, quality = 0.91: HA THR 110 + HD2 PRO 52 OK 63 99 - 63 - 10643/1.8=13...(21) HA3 GLY 50 + HD2 PRO 52 OK 58 77 - 76 - 3.6/8203=22, ~9831=22...(10) HA GLN 47 + HD2 PRO 52 OK 41 77 - 54 - 10454/1.8=19, 10673=16...(8) HA LEU 66 - HD2 PRO 52 lone 5 62 - 8 - 8213/4.6=3, 10643/1.8=1 Peak 8232 from cnoeabs.peaks (0.96, 3.26, 50.40 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 51 + HD2 PRO 52 OK 99 100 - 99 - 4.6=87, 1318/3.8=29...(14) QD1 LEU 29 - HD2 PRO 52 OK 36 99 - 36 - 8233/1.8=8, 8062/4.8=8...(9) HG3 ARG 35 - HD2 PRO 52 OK 28 100 - 27 - 8233/1.8=6, 1312/3.8=6...(11) Peak 8233 from cnoeabs.peaks (0.96, 3.54, 50.40 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.96: QG2 THR 51 + HD3 PRO 52 OK 94 98 - 96 - 4.6=75, 3.2/1323=28...(14) QD1 LEU 29 + HD3 PRO 52 OK 34 100 - 34 - 8062/4.8=7, 8232/1.8=7...(9) HG3 ARG 35 - HD3 PRO 52 OK 26 99 - 26 - 8232/1.8=6, 1312/3.8=5...(12) Peak 8234 from cnoeabs.peaks (4.37, 3.26, 50.40 ppm; 6.73 A): 1 out of 6 assignments used, quality = 0.98: HB THR 51 + HD2 PRO 52 OK 98 98 - 100 - 4.8=100 HA ARG 144 - HD2 PRO 52 OK 31 94 - 33 - 6488/4.8=12, 1311/3.8=9...(5) HA ASP 65 - HD2 PRO 52 OK 16 68 - 24 - 1311/3.8=6, 8387/4.6=5...(6) HA ASN 96 - HD2 PRO 52 OK 16 92 - 18 - 3.6/10644=9, 6488/4.8=3...(5) HA3 GLY 77 - HD2 PRO 52 poor 8 68 - 12 - 1311/3.8=4, 1319/4.6=3 HB THR 18 - HD2 PRO 52 lone 3 62 - 5 - ~10864=1 Peak 8235 from cnoeabs.peaks (4.34, 3.54, 50.40 ppm; 6.14 A): 0 out of 2 assignments used, low quality = 0.32: HA ASP 65 - HD3 PRO 52 OK 25 81 - 30 - 8234/1.8=9, 1311/3.8=8...(7) HA3 GLY 77 - HD3 PRO 52 OK 10 81 - 12 - 1311/3.8=4, 8234/1.8=3 Peak 8236 from cnoeabs.peaks (7.30, 1.05, 21.00 ppm; 3.34 A): 3 out of 4 assignments used, quality = 0.81: QD TYR 115 + QG2 VAL 53 OK 72 98 - 73 - 2.2/9848=25, ~8237=18...(13) H PHE 67 + QG2 VAL 53 OK 22 85 - 25 - 11233=9, 9834/2.1=6...(5) H ASP 30 + QG2 VAL 53 OK 14 94 - 15 - 6134/2.1=3, ~10922=2...(5) H ARG 35 - QG2 VAL 53 lone 8 85 - 10 - 3.6/1397=2, 4663/9808=1 Peak 8237 from cnoeabs.peaks (7.16, 0.91, 22.18 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.70: QE TYR 115 + QG1 VAL 53 OK 70 99 - 71 - 9835=35, 9808/2.1=20...(12) Peak 8239 from cnoeabs.peaks (7.83, 0.91, 22.18 ppm; 3.89 A): 3 out of 7 assignments used, quality = 0.63: H LEU 26 + QG1 VAL 53 OK 38 100 - 38 - 10867=9, 6075/2.1=5...(11) H TYR 27 + QG1 VAL 53 OK 33 94 - 35 - ~9810=6, ~9839=6...(9) H SER 44 + QG1 VAL 53 OK 11 81 - 13 - 5.0/10631=11 H THR 110 - QG1 VAL 53 lone 9 99 - 9 - 4.6/10631=5, 7305/10631=2 H GLY 94 - QG1 VAL 53 lone 6 62 - 10 - 9045/4.0=6, ~7080=2 H TRP 17 - QG1 VAL 53 lone 4 81 - 5 - 6049/9836=2 H ARG 55 - QG1 VAL 53 lone 3 72 - 4 - 10618=3 Peak 8240 from cnoeabs.peaks (3.19, 1.05, 21.00 ppm; 5.81 A): 3 out of 6 assignments used, quality = 0.83: HA VAL 73 + QG2 VAL 53 OK 78 100 - 78 - 8240=22, ~8571=15...(22) HD3 ARG 144 + QG2 VAL 53 OK 11 100 - 11 - 8240=4, 1.8/8240=4 HD2 ARG 144 + QG2 VAL 53 OK 11 99 - 11 - 8240=4, 1.8/8240=4 HD3 ARG 55 - QG2 VAL 53 lone 10 100 - 10 - 8240=3, 1.8/8240=2 HD2 ARG 55 - QG2 VAL 53 lone 8 94 - 9 - 1.8/8240=3 HD2 ARG 141 - QG2 VAL 53 lone 3 68 - 4 - Peak 8241 from cnoeabs.peaks (2.69, 1.05, 21.00 ppm; 4.24 A): 4 out of 7 assignments used, quality = 0.89: HB3 TYR 115 + QG2 VAL 53 OK 65 96 - 67 - 2.5/8236=26, 4.5/9848=24...(8) HB2 PHE 43 + QG2 VAL 53 OK 52 85 - 61 - 2.7/10633=34, ~10631=14...(6) HB2 ASP 32 + QG2 VAL 53 OK 22 100 - 22 - 10806=6, 8089/3.2=3...(5) HB3 ASP 13 + QG2 VAL 53 OK 12 81 - 15 - 8241=6, ~8006=2...(4) HB2 ASP 137 - QG2 VAL 53 lone 6 100 - 6 - HB3 CYS 121 - QG2 VAL 53 lone 3 72 - 3 - HB3 ASP 16 - QG2 VAL 53 lone 2 100 - 2 - Peak 8243 from cnoeabs.peaks (2.74, 4.08, 62.40 ppm; 6.80 A): 6 out of 9 assignments used, quality = 0.93: HB3 PHE 43 + HA VAL 53 OK 81 100 - 81 - ~10633=36, 2.7/10629=33...(6) HG3 MET 113 + HA VAL 53 OK 28 100 - 28 - 3.3/9845=6, 8244/3.0=5...(9) HE2 LYS 114 + HA VAL 53 OK 28 72 - 39 - ~3825=9, 3.7/1385=9...(7) HB3 ASP 137 + HA VAL 53 OK 14 100 - 14 - 8244/3.0=4, 9708/3.2=2...(5) HB2 ASN 96 + HA VAL 53 OK 13 92 - 14 - 8244/3.0=11 HE2 LYS 76 + HA VAL 53 OK 13 77 - 17 - 3.9/9890=7, 8244/3.0=2 HE3 LYS 76 - HA VAL 53 poor 9 57 - 16 - 3.9/9890=7, ~8244=1, 8140/9807=1 HB3 ASP 40 - HA VAL 53 lone 8 92 - 8 - 8244/3.0=2, 4.4/10629=1 HB2 ASN 54 - HA VAL 53 lone 6 99 - 6 - 8244/3.0=3 Peak 8245 from cnoeabs.peaks (2.40, 1.05, 21.00 ppm; 3.32 A): 4 out of 4 assignments used, quality = 0.81: QE MET 46 + QG2 VAL 53 OK 43 77 - 56 - 10492=17, 4.2/8241=9...(14) HG3 GLN 25 + QG2 VAL 53 OK 40 99 - 40 - 8245=10, 10585/2.1=5...(15) HB3 PRO 118 + QG2 VAL 53 OK 38 72 - 53 - 8245=11, 2.3/1398=5...(29) HG3 GLN 133 + QG2 VAL 53 OK 12 62 - 19 - 8245=3, ~8185=2...(8) Peak 8247 from cnoeabs.peaks (7.84, 1.77, 32.59 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: H ARG 55 + HB3 ARG 55 OK 100 100 - 100 - 4.0=100 H ALA 135 - HB3 ARG 55 lone 2 72 - 3 - H LEU 26 - HB3 ARG 55 lone 2 77 - 2 - H TRP 17 - HB3 ARG 55 lone 1 100 - 1 - Peak 8249 from cnoeabs.peaks (0.89, 1.77, 32.59 ppm; 4.84 A): 0 out of 5 assignments used, low quality = 0.00: QG2 ILE 136 - HB3 ARG 55 lone 8 98 - 8 - 3.0/11135=2 QG2 VAL 80 - HB3 ARG 55 lone 4 96 - 4 - QD1 ILE 101 - HB3 ARG 55 lone 3 100 - 3 - QG2 ILE 101 - HB3 ARG 55 lone 3 98 - 3 - QD1 LEU 97 - HB3 ARG 55 lone 3 94 - 3 - Peak 8250 from cnoeabs.peaks (3.34, 1.95, 36.97 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 57 + HB ILE 56 OK 100 100 - 100 - 4.8=97, 8251/2.1=25...(33) HD3 PRO 57 + HB ILE 56 OK 98 98 - 100 - 4.8=97, 8251/2.1=24...(35) Peak 8251 from cnoeabs.peaks (3.34, 0.86, 17.79 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.97: HD2 PRO 57 + QG2 ILE 56 OK 84 100 - 84 - 4.2=51, 1.8/8251=12...(24) HD3 PRO 57 + QG2 ILE 56 OK 84 99 - 85 - 4.2=51, 1.8/8251=13...(25) Peak 8252 from cnoeabs.peaks (3.36, 1.20, 26.58 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.85: HD2 PRO 57 + HG13 ILE 56 OK 62 62 - 99 - ~8268=31, ~8265=30...(37) HD2 PRO 57 + HG12 ILE 56 OK 62 62 - 100 - ~8268=31, ~8265=30...(38) Peak 8253 from cnoeabs.peaks (3.35, 0.60, 11.24 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.95: HD2 PRO 57 + QD1 ILE 56 OK 83 89 - 94 - 4.2/1463=25, 3.8/1479=20...(30) HD3 PRO 57 + QD1 ILE 56 OK 72 77 - 94 - 4.2/1463=25, 3.8/1479=20...(31) Peak 8254 from cnoeabs.peaks (2.16, 0.60, 11.24 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.66: HB2 GLN 25 + QD1 ILE 56 OK 58 100 - 58 - 2.9/11202=25...(7) HG LEU 29 + QD1 ILE 56 OK 20 94 - 21 - 9777/11202=5...(7) HG2 PRO 129 - QD1 ILE 56 lone 6 77 - 7 - 196/11202=2...(3) Peak 8255 from cnoeabs.peaks (1.19, 3.34, 49.96 ppm; 6.80 A): 6 out of 8 assignments used, quality = 1.00: QD1 LEU 26 + HD3 PRO 57 OK 78 94 - 82 - 2.1/10566=26...(29) QD1 LEU 26 + HD2 PRO 57 OK 72 90 - 80 - ~10566=24, 8262/3.0=19...(28) HG13 ILE 56 + HD3 PRO 57 OK 67 68 - 100 - ~8268=31, ~8265=30...(37) HG13 ILE 56 + HD2 PRO 57 OK 63 63 - 100 - ~8268=31, ~8265=30...(35) HG12 ILE 56 + HD3 PRO 57 OK 62 62 - 100 - ~8268=31, ~8265=30...(37) HG12 ILE 56 + HD2 PRO 57 OK 58 59 - 100 - ~8268=31, ~8265=30...(37) HB3 LEU 108 - HD3 PRO 57 OK 33 100 - 33 - 1455/4.8=6, 8262/3.0=5...(13) HB3 LEU 108 - HD2 PRO 57 OK 31 98 - 32 - 1455/4.8=6, 8262/3.0=5...(11) Peak 8256 from cnoeabs.peaks (0.85, 3.34, 49.96 ppm; 3.63 A): 4 out of 10 assignments used, quality = 0.99: QD1 LEU 64 + HD3 PRO 57 OK 72 96 - 75 - 10626/2.3=16, ~8267=16...(22) QG2 ILE 56 + HD3 PRO 57 OK 70 77 - 91 - 4.2=67, 8251/1.8=13...(27) QD1 LEU 64 + HD2 PRO 57 OK 68 93 - 74 - 10626/2.3=16, ~8267=16...(22) QG2 ILE 56 + HD2 PRO 57 OK 66 73 - 91 - 4.2=67, 8251/1.8=13...(26) QG2 ILE 83 - HD3 PRO 57 OK 22 100 - 22 - 10659/3.0=5, 9998/2.3=4...(8) QG2 ILE 83 - HD2 PRO 57 OK 21 98 - 22 - 10659/3.0=5, 9998/2.3=4...(8) QD2 LEU 97 - HD3 PRO 57 lone 8 94 - 8 - 3222/4.2=2 QD2 LEU 97 - HD2 PRO 57 lone 7 90 - 8 - 3222/4.2=2 HB3 LEU 42 - HD3 PRO 57 lone 2 62 - 3 - HB3 LEU 42 - HD2 PRO 57 lone 2 59 - 3 - Peak 8257 from cnoeabs.peaks (0.60, 3.34, 49.96 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.99: QD1 ILE 56 + HD3 PRO 57 OK 93 100 - 94 - 1463/4.2=24, 8253/1.8=19...(32) QD1 ILE 56 + HD2 PRO 57 OK 90 97 - 93 - 1463/4.2=24, 8265/3.0=19...(30) QD1 LEU 132 - HD3 PRO 57 OK 32 72 - 44 - 10423/2.3=15, 1463/4.2=6...(12) QD1 LEU 132 - HD2 PRO 57 OK 30 68 - 45 - 10423/2.3=15, 1463/4.2=6...(12) Peak 8258 from cnoeabs.peaks (2.83, 0.60, 11.24 ppm; 6.12 A): 2 out of 5 assignments used, quality = 0.60: HB2 ASN 139 + QD1 ILE 56 OK 55 99 - 55 - 3.5/8261=41, 4600/9681=8...(5) HE3 LYS 114 + QD1 ILE 56 OK 13 94 - 14 - 8139/9357=2...(6) HB2 ASP 40 - QD1 ILE 56 lone 8 100 - 8 - 7803/8261=2, 4600/9681=1...(4) HB2 ASN 130 - QD1 ILE 56 lone 5 99 - 5 - HB3 ASN 54 - QD1 ILE 56 lone 3 99 - 3 - Peak 8260 from cnoeabs.peaks (6.72, 0.60, 11.24 ppm; 3.86 A): 0 out of 2 assignments used, low quality = 0.32: QE TYR 70 - QD1 ILE 56 OK 21 77 - 28 - 2.2/4693=14, 9898=7...(4) HZ PHE 43 - QD1 ILE 56 OK 13 100 - 13 - 10962/10595=6...(3) Peak 8261 from cnoeabs.peaks (6.96, 0.60, 11.24 ppm; 3.95 A): 0 out of 2 assignments used, low quality = 0.14: HD21 ASN 139 - QD1 ILE 56 OK 14 77 - 19 - 3.5/8258=8, 9733/3.1=5, ~9737=3 QD PHE 38 - QD1 ILE 56 lone 2 100 - 2 - Reference assignment not found: QD PHE 23 - QD1 ILE 56 Peak 8262 from cnoeabs.peaks (1.19, 1.65, 31.87 ppm; 5.83 A): 3 out of 3 assignments used, quality = 0.86: HG13 ILE 56 + HB2 PRO 57 OK 61 62 - 97 - ~8265=29, ~8268=26...(30) QD1 LEU 26 + HB2 PRO 57 OK 58 96 - 61 - ~10566=16, 3.2/246=6...(23) HB3 LEU 108 + HB2 PRO 57 OK 14 100 - 14 - 8255/3.0=2, 8255/3.0=2...(5) Peak 8263 from cnoeabs.peaks (0.88, 1.65, 31.87 ppm; 4.48 A): 5 out of 6 assignments used, quality = 0.94: QG2 ILE 136 + HB2 PRO 57 OK 79 100 - 79 - 10631/2.3=11, ~9672=8...(34) QG2 ILE 101 + HB2 PRO 57 OK 41 100 - 41 - 10631/2.3=6, 8251/3.0=5...(13) QD1 ILE 101 + HB2 PRO 57 OK 38 99 - 38 - 10631/2.3=5, 10425/2.3=4...(17) QD1 LEU 97 + HB2 PRO 57 OK 13 100 - 13 - 10631/2.3=2, 10425/2.3=2 QG2 VAL 80 + HB2 PRO 57 OK 13 77 - 17 - 8753/2.3=3, ~8745=2...(7) HB3 LEU 42 - HB2 PRO 57 lone 3 72 - 3 - Peak 8264 from cnoeabs.peaks (0.90, 2.18, 31.87 ppm; 5.16 A): 4 out of 6 assignments used, quality = 0.95: QG1 VAL 63 + HB3 PRO 57 OK 73 89 - 83 - 2.1/9830=22, ~8363=20...(14) QG2 ILE 136 + HB3 PRO 57 OK 51 62 - 81 - 3.0/9672=10, 2.3/1522=10...(33) QG1 VAL 53 + HB3 PRO 57 OK 43 92 - 46 - 8237/10589=15...(5) QD1 ILE 101 + HB3 PRO 57 OK 30 77 - 39 - ~8263=6, 10425/2.3=4...(14) QG2 ILE 101 - HB3 PRO 57 OK 24 62 - 38 - ~8263=6, 10425/2.3=5...(14) QG2 VAL 80 - HB3 PRO 57 OK 23 99 - 23 - 8753/2.3=4, 8756/10301=3...(8) Peak 8265 from cnoeabs.peaks (0.60, 2.18, 31.87 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.88: QD1 ILE 56 + HB3 PRO 57 OK 82 92 - 89 - 8268/2.3=25, 10500=17...(26) QD2 LEU 79 + HB3 PRO 57 OK 32 68 - 48 - 10426/2.3=30...(8) Peak 8266 from cnoeabs.peaks (1.05, 2.18, 31.87 ppm; 5.38 A): 4 out of 5 assignments used, quality = 0.82: HG3 LYS 114 + HB3 PRO 57 OK 61 94 - 65 - 10265/10589=13...(22) QG2 VAL 53 + HB3 PRO 57 OK 31 92 - 34 - ~11612=13, 2.1/8264=7...(8) HG13 ILE 91 + HB3 PRO 57 OK 23 100 - 23 - ~8981=3, 9355/10589=2...(10) QG2 THR 110 + HB3 PRO 57 OK 14 62 - 22 - 3.2/3591=6, 9289/1.8=5...(5) HB2 LEU 116 - HB3 PRO 57 lone 7 85 - 9 - 9355/10589=3 Peak 8267 from cnoeabs.peaks (0.64, 1.78, 27.60 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.74: QD2 LEU 64 + HG2 PRO 57 OK 69 94 - 73 - 9879=16, ~10626=11...(17) QD1 LEU 126 + HG2 PRO 57 OK 16 100 - 16 - 8267=4, 4749/10590=3...(4) Peak 8268 from cnoeabs.peaks (0.61, 1.52, 27.60 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.72: QD1 ILE 56 + HG3 PRO 57 OK 60 72 - 83 - 8265/2.3=22, 8267/1.8=16...(26) QD2 LEU 79 + HG3 PRO 57 OK 31 89 - 34 - 10426/3.8=22, 8265/2.3=9...(4) Peak 8270 from cnoeabs.peaks (0.89, 4.43, 58.05 ppm; 4.27 A): 5 out of 5 assignments used, quality = 0.90: QG2 ILE 101 + HA ILE 58 OK 59 99 - 59 - 10135/4.1=17, ~10179=9...(15) QD1 ILE 101 + HA ILE 58 OK 55 100 - 55 - 10179/3.0=22, 8272/3.2=8...(13) QD1 LEU 97 + HA ILE 58 OK 24 96 - 25 - 8297/3.6=6, 3224/4.8=6...(8) QG2 VAL 80 + HA ILE 58 OK 22 94 - 23 - 8272/3.2=14, 8271/3.0=2...(5) QG2 ILE 136 + HA ILE 58 OK 14 99 - 15 - 8297/3.6=2, 8272/3.2=2...(7) Peak 8271 from cnoeabs.peaks (0.88, 1.70, 39.04 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.97: QG2 ILE 101 + HB ILE 58 OK 83 100 - 83 - 3.1/10179=27...(22) QD1 ILE 101 + HB ILE 58 OK 80 99 - 81 - 10179=31, ~10135=13...(25) HB3 LEU 42 - HB ILE 58 OK 36 72 - 50 - 3.2/1559=10, ~926=7...(12) QD1 LEU 97 - HB ILE 58 OK 30 100 - 30 - 8297/4.4=7, 8270/3.0=5...(8) QG2 VAL 80 - HB ILE 58 OK 24 77 - 31 - 8272/2.1=13, 8270/3.0=5...(8) QG2 ILE 136 - HB ILE 58 OK 20 100 - 20 - ~8273=3, 8270/3.0=3...(7) Peak 8272 from cnoeabs.peaks (0.89, 0.58, 16.80 ppm; 3.44 A): 4 out of 7 assignments used, quality = 0.93: QG1 VAL 63 + QG2 ILE 58 OK 56 68 - 83 - 2.1/8349=20, 8350/3.1=14...(23) QD1 ILE 101 + QG2 ILE 58 OK 54 94 - 57 - 10179/2.1=17, 8270/3.2=6...(27) QG2 ILE 101 + QG2 ILE 58 OK 46 85 - 54 - 10135/3.1=11, ~10179=8...(18) QG2 VAL 80 + QG2 ILE 58 OK 33 100 - 33 - 9984/10024=6, 8755=5...(10) QD1 LEU 97 - QG2 ILE 58 OK 22 77 - 29 - 3.7/8293=9...(8) QG2 ILE 136 - QG2 ILE 58 OK 13 85 - 15 - 2.1/8273=3, 8270/3.2=1...(5) QG1 VAL 53 - QG2 ILE 58 OK 10 72 - 14 - 8292/3.1=3, ~8290=2...(4) Peak 8273 from cnoeabs.peaks (1.93, 0.58, 16.80 ppm; 3.87 A): 3 out of 11 assignments used, quality = 0.72: HB3 LEU 132 + QG2 ILE 58 OK 39 85 - 45 - 3.6/8294=9, 3.8/1561=5...(15) HB2 MET 59 + QG2 ILE 58 OK 35 62 - 56 - 3.9/1568=22, 3.0/8293=19...(5) HB2 GLN 62 + QG2 ILE 58 OK 30 92 - 32 - 4.0/8294=13, 1.8/8275=10...(6) HB3 GLU 122 - QG2 ILE 58 poor 10 94 - 10 - 3.0/8281=3, 1651/8330=1 HB2 ARG 89 - QG2 ILE 58 lone 8 100 - 8 - HB2 ARG 140 - QG2 ILE 58 lone 7 94 - 8 - 2543/10024=1 HB3 PRO 52 - QG2 ILE 58 lone 7 100 - 7 - 1.8/8275=2 HG2 PRO 52 - QG2 ILE 58 lone 6 99 - 7 - 2.3/8275=2 HG3 PRO 12 - QG2 ILE 58 lone 5 81 - 6 - 2543/10024=2 HG2 PRO 12 - QG2 ILE 58 lone 4 92 - 5 - HB2 PRO 118 - QG2 ILE 58 lone 3 72 - 5 - Peak 8275 from cnoeabs.peaks (2.07, 0.58, 16.80 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.94: HB3 LYS 61 + QG2 ILE 58 OK 79 94 - 84 - 3.0/8330=37, 3.8/8295=25...(26) HB2 LEU 26 + QG2 ILE 58 OK 56 96 - 58 - 3.1/10572=33, 3.0/1563=7...(16) HB3 GLN 62 + QG2 ILE 58 OK 34 100 - 34 - 4.0/8294=16, 1.8/8273=8...(7) HD2 ARG 49 - QG2 ILE 58 OK 24 99 - 25 - 3.0/9863=5, 3.7/1563=3...(10) HG3 PRO 98 - QG2 ILE 58 OK 24 89 - 27 - 3.8/8293=12...(8) HB2 PRO 129 - QG2 ILE 58 OK 12 85 - 14 - 2.3/10271=5, 1652/8330=2...(5) HG2 GLU 122 - QG2 ILE 58 poor 9 81 - 11 - 3.9/8281=2, 3.0/8273=2 HA ARG 35 - QG2 ILE 58 lone 7 89 - 7 - 585/10572=4 HB2 PRO 52 - QG2 ILE 58 lone 7 77 - 8 - 1.8/8273=2, 2.3/8273=2 Peak 8279 from cnoeabs.peaks (3.62, 0.58, 16.80 ppm; 3.15 A): 2 out of 2 assignments used, quality = 0.77: HA LYS 61 + QG2 ILE 58 OK 74 100 - 74 - 8330=37, 3.0/8295=19...(17) HA ARG 109 + QG2 ILE 58 OK 14 89 - 16 - 3.0/1563=2, 6564/8295=2...(6) Peak 8280 from cnoeabs.peaks (3.76, 0.58, 16.80 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.74: HA3 GLY 15 + QG2 ILE 58 OK 53 85 - 62 - 8026/3.1=14, ~8026=12...(12) HA2 GLY 15 + QG2 ILE 58 OK 44 81 - 54 - 8026/3.1=13, ~8026=11...(11) HA2 GLY 125 - QG2 ILE 58 lone 1 92 - 1 - QA GLY 2 - QG2 ILE 58 lone 1 72 - 1 - Peak 8281 from cnoeabs.peaks (4.01, 0.58, 16.80 ppm; 3.77 A): 2 out of 13 assignments used, quality = 0.58: HA VAL 63 + QG2 ILE 58 OK 51 62 - 82 - 3.0/8349=20...(21) HA GLU 81 + QG2 ILE 58 OK 15 81 - 18 - 8284/3.1=4, 3.0/1563=2...(6) HB3 SER 100 - QG2 ILE 58 lone 10 100 - 10 - 4.1/8294=2, 10955/3.2=2 HB THR 107 - QG2 ILE 58 lone 9 96 - 10 - 8284/3.1=3, 9249/8349=1 HA LYS 123 - QG2 ILE 58 lone 7 92 - 8 - 8284/3.1=2 HA GLU 122 - QG2 ILE 58 lone 7 77 - 9 - ~9460=2, 3.0/8273=2, 10955/3.2=1 HA LEU 69 - QG2 ILE 58 lone 7 72 - 9 - 3.6/8482=2, 10955/3.2=2 HA GLU 37 - QG2 ILE 58 lone 5 85 - 6 - 8284/3.1=2, 10955/3.2=1 HB2 SER 103 - QG2 ILE 58 lone 3 100 - 3 - HA MET 113 - QG2 ILE 58 lone 3 77 - 3 - 3682/8632=1 HB2 SER 138 - QG2 ILE 58 lone 2 72 - 3 - ~10349=2 HB3 SER 138 - QG2 ILE 58 lone 2 72 - 3 - ~10349=2 HA LYS 114 - QG2 ILE 58 lone 1 77 - 2 - Peak 8282 from cnoeabs.peaks (4.03, 1.70, 39.04 ppm; 4.98 A): 3 out of 5 assignments used, quality = 0.94: HA VAL 63 + HB ILE 58 OK 90 94 - 95 - 11447/3.0=27...(20) HA GLN 25 + HB ILE 58 OK 26 85 - 30 - 4.8/8282=7, 8282=6...(9) HA GLU 81 + HB ILE 58 OK 23 81 - 28 - 8284/3.2=6, 11447/3.0=6...(11) HA GLU 37 - HB ILE 58 poor 9 77 - 11 - 8284/3.2=3, 11447/3.0=3 HA LYS 123 - HB ILE 58 poor 8 68 - 11 - 8284/3.2=3, 11447/3.0=2 Peak 8284 from cnoeabs.peaks (4.03, 0.56, 11.03 ppm; 3.28 A): 2 out of 6 assignments used, quality = 0.83: HA VAL 63 + QD1 ILE 58 OK 80 100 - 80 - 8284=26, 3.2/8351=22...(14) HA GLU 81 + QD1 ILE 58 OK 18 96 - 19 - 8284=6, 11447/4.1=2...(5) HA GLN 25 - QD1 ILE 58 poor 10 62 - 16 - 2.9/8290=4, 2.9/9812=2...(6) HA GLU 37 - QD1 ILE 58 lone 9 94 - 9 - 8284=3, 11447/4.1=1 HA LYS 123 - QD1 ILE 58 lone 9 89 - 10 - 8284=3 HB THR 107 - QD1 ILE 58 poor 8 81 - 10 - 8284=3, 1803/8351=2, 1798/8350=1 Peak 8285 from cnoeabs.peaks (3.74, 0.56, 11.03 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.83: HA2 GLY 15 + QD1 ILE 58 OK 59 81 - 72 - 1.8/8026=23, 8285=21...(12) HA3 GLY 15 + QD1 ILE 58 OK 58 77 - 75 - 1.8/8026=25, 8285=19...(13) QA GLY 2 - QD1 ILE 58 lone 2 89 - 3 - Peak 8286 from cnoeabs.peaks (3.61, 0.56, 11.03 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.86: HA LYS 61 + QD1 ILE 58 OK 70 72 - 97 - 3.0/10579=49, ~8295=33...(22) HA ARG 109 + QD1 ILE 58 OK 52 94 - 55 - 8286=15, ~11117=11...(14) HA2 GLY 31 - QD1 ILE 58 lone 6 96 - 6 - 8286=2 Peak 8287 from cnoeabs.peaks (2.94, 0.56, 11.03 ppm; 4.52 A): 4 out of 13 assignments used, quality = 0.84: HE2 LYS 61 + QD1 ILE 58 OK 46 100 - 46 - 7.2/10579=11...(10) HE3 LYS 61 + QD1 ILE 58 OK 46 100 - 46 - 7.2/10579=11...(10) HE3 LYS 85 + QD1 ILE 58 OK 28 94 - 29 - 4.8/1587=5, ~8271=5...(11) HE2 LYS 85 + QD1 ILE 58 OK 22 77 - 29 - 4.8/1587=5, ~8271=5...(11) HB2 HIS 14 - QD1 ILE 58 poor 8 77 - 11 - 11058/10579=4...(4) HB2 TYR 115 - QD1 ILE 58 poor 8 68 - 12 - 1.8/9365=3, ~9365=2...(5) HB3 ASN 130 - QD1 ILE 58 lone 5 100 - 5 - ~8293=1 HE3 LYS 93 - QD1 ILE 58 lone 4 100 - 4 - HB3 PHE 67 - QD1 ILE 58 lone 3 62 - 5 - 10841/4797=2, 5.8/4820=1 HB2 PHE 106 - QD1 ILE 58 lone 2 62 - 4 - 10219/8284=1 HE3 LYS 48 - QD1 ILE 58 lone 2 85 - 3 - HE2 LYS 93 - QD1 ILE 58 lone 2 72 - 3 - HE2 LYS 48 - QD1 ILE 58 lone 2 68 - 3 - Peak 8289 from cnoeabs.peaks (2.80, 0.56, 11.03 ppm; 5.14 A): 0 out of 3 assignments used, low quality = 0.00: HB2 ASN 128 - QD1 ILE 58 poor 10 96 - 10 - ~10582=3, 10697/10494=2...(4) HB3 ASN 139 - QD1 ILE 58 lone 7 100 - 7 - ~10362=2, 10697/10494=2 HB3 ASP 41 - QD1 ILE 58 lone 3 99 - 3 - 10697/10494=1 Peak 8290 from cnoeabs.peaks (2.10, 0.56, 11.03 ppm; 4.55 A): 5 out of 8 assignments used, quality = 0.63: HB3 GLN 25 + QD1 ILE 58 OK 31 100 - 31 - 9829/8351=7, 4.4/9813=6...(9) HB VAL 53 + QD1 ILE 58 OK 21 100 - 21 - 2.1/8292=6, 9867/8351=6...(5) HB3 LYS 36 + QD1 ILE 58 OK 13 92 - 14 - 10613/9814=3...(4) HB2 GLU 131 + QD1 ILE 58 OK 12 77 - 15 - 4.6/10578=6, 9829/8351=2 HG2 PRO 33 + QD1 ILE 58 OK 12 100 - 12 - 466/10594=5, ~8282=1 HG3 PRO 33 - QD1 ILE 58 poor 9 85 - 11 - 474/10594=4, ~8282=1 HB3 GLU 142 - QD1 ILE 58 lone 8 100 - 8 - 1.8/9850=4, 4847/9850=2 HG2 PRO 118 - QD1 ILE 58 lone 6 77 - 8 - 10489/10494=2...(3) Peak 8292 from cnoeabs.peaks (0.91, 0.56, 11.03 ppm; 2.79 A): 4 out of 5 assignments used, quality = 0.85: QG1 VAL 63 + QD1 ILE 58 OK 73 100 - 74 - 8350=30, 2.1/8351=22...(17) QD2 LEU 29 + QD1 ILE 58 OK 18 96 - 18 - 10841/2.1=3, 8292=3...(5) QG1 VAL 53 + QD1 ILE 58 OK 16 100 - 16 - 8292=4, 8238/4797=2...(5) HB2 LEU 64 + QD1 ILE 58 OK 16 85 - 18 - 3.8/9812=8, 8272/3.1=5...(4) QG2 VAL 80 - QD1 ILE 58 poor 7 62 - 12 - 8272/3.1=7, ~8760=1 Peak 8293 from cnoeabs.peaks (4.54, 0.58, 16.80 ppm; 3.84 A): 0 out of 3 assignments used, low quality = 0.39: HA LEU 97 - QG2 ILE 58 OK 22 89 - 25 - 8293=8, 3.0/9863=4...(9) HA PRO 98 - QG2 ILE 58 OK 21 99 - 22 - 8311/10416=7, 3.8/8275=5...(6) HA GLU 28 - QG2 ILE 58 lone 6 99 - 6 - ~10582=2 Peak 8294 from cnoeabs.peaks (7.72, 0.58, 16.80 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.72: H GLN 62 + QG2 ILE 58 OK 58 89 - 65 - 3.5/8330=21, 3.3/8295=19...(13) H LEU 132 + QG2 ILE 58 OK 34 94 - 36 - 7670=6, 3.6/8273=5...(13) H SER 100 - QG2 ILE 58 lone 9 94 - 10 - 4.1/8281=1, 8763/8272=1 HD21 ASN 128 - QG2 ILE 58 lone 8 100 - 8 - ~8289=3 Peak 8295 from cnoeabs.peaks (8.43, 0.58, 16.80 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.81: H LYS 61 + QG2 ILE 58 OK 76 100 - 76 - 3.0/8330=24, 8322=18...(19) H GLU 75 + QG2 ILE 58 OK 20 62 - 32 - 5.0/8632=12, 5.0/8643=11...(4) Peak 8299 from cnoeabs.peaks (0.86, 1.92, 35.50 ppm; 3.99 A): 4 out of 4 assignments used, quality = 0.88: QD1 LEU 64 + HB2 MET 59 OK 64 98 - 66 - 11016/1.8=16...(18) QG2 ILE 83 + HB2 MET 59 OK 50 89 - 56 - 8301/3.0=11, 2.1/1604=9...(24) QG2 ILE 56 + HB2 MET 59 OK 23 100 - 23 - 11009/1.8=5, 10407/4.2=3...(8) HB3 LEU 42 + HB2 MET 59 OK 10 99 - 10 - 8301/3.0=2 Peak 8300 from cnoeabs.peaks (0.85, 1.78, 35.50 ppm; 4.34 A): 3 out of 5 assignments used, quality = 0.97: QD2 LEU 97 + HB3 MET 59 OK 74 94 - 79 - 9127/3.0=20...(21) QD1 LEU 64 + HB3 MET 59 OK 69 96 - 72 - 11016=16, 8301/3.0=12...(16) QG2 ILE 83 + HB3 MET 59 OK 60 100 - 60 - 8301/3.0=10, 8299/1.8=9...(22) QG2 ILE 56 - HB3 MET 59 OK 20 77 - 26 - 8299/1.8=4, 10407/4.2=4...(9) HB3 LEU 42 - HB3 MET 59 lone 5 62 - 8 - 8299/1.8=2 Peak 8301 from cnoeabs.peaks (0.91, 4.56, 54.90 ppm; 4.52 A): 3 out of 4 assignments used, quality = 0.85: QG1 VAL 63 + HA MET 59 OK 62 99 - 63 - 8270/4.8=14, 2.1/1599=11...(15) HB2 LEU 64 + HA MET 59 OK 53 92 - 58 - 3.2/8301=16, ~8299=7...(15) QD2 LEU 29 + HA MET 59 OK 15 99 - 15 - 8058=2, 8270/4.8=2...(6) QG1 VAL 53 - HA MET 59 lone 7 98 - 7 - 8270/4.8=2 Peak 8304 from cnoeabs.peaks (0.86, 2.35, 32.00 ppm; 3.67 A): 4 out of 5 assignments used, quality = 0.92: QD2 LEU 97 + HB2 PRO 98 OK 63 72 - 87 - 9125/3.0=15, 9123/3.0=14...(33) QD1 LEU 64 + HB2 PRO 98 OK 46 100 - 46 - 9142/2.3=17, 9133/3.0=9...(11) QG2 ILE 83 + HB2 PRO 98 OK 41 99 - 41 - 9142/2.3=15, 9133/3.0=8...(8) QG2 ILE 56 + HB2 PRO 98 OK 32 96 - 33 - 9133/3.0=6, 1459/1.8=5...(15) HB3 LEU 42 - HB2 PRO 98 lone 3 89 - 4 - 9142/2.3=1 Peak 8305 from cnoeabs.peaks (1.24, 2.35, 32.00 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.95: HG12 ILE 101 + HB2 PRO 98 OK 83 85 - 98 - ~9175=23, ~9175=22...(27) HB3 LEU 97 + HB2 PRO 98 OK 57 57 - 99 - ~9111=16, 3.0/3258=15...(50) HB3 LEU 87 + HB2 PRO 98 OK 34 92 - 37 - 9132/3.0=7, ~9145=5...(10) Peak 8309 from cnoeabs.peaks (4.56, 3.96, 53.08 ppm; 4.45 A): 3 out of 5 assignments used, quality = 0.95: HA MET 59 + HA ALA 60 OK 85 100 - 85 - 4.9=77, 10411/2.1=20...(6) HA PRO 98 + HA ALA 60 OK 45 62 - 73 - ~8328=19, 8311/2.1=19...(11) HA LEU 97 + HA ALA 60 OK 39 85 - 46 - 8311/2.1=13, 8314/3.6=8...(11) HA ASN 130 - HA ALA 60 lone 5 89 - 5 - 6551/2.8=2, 8314/3.6=1 HA GLU 28 - HA ALA 60 lone 4 62 - 6 - 8311/2.1=2 Peak 8310 from cnoeabs.peaks (3.64, 3.96, 53.08 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.45: HA2 GLY 94 + HA ALA 60 OK 45 100 - 46 - 8312/2.1=14, 3113=12...(7) HD3 PRO 12 - HA ALA 60 lone 7 85 - 8 - 2.3/8323=2, 4.8/8323=2, ~8326=1 Peak 8311 from cnoeabs.peaks (4.55, 1.34, 16.46 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.94: HA PRO 98 + QB ALA 60 OK 67 92 - 73 - 3.6/8313=25, 2.3/8328=25...(16) HA LEU 97 + QB ALA 60 OK 64 100 - 65 - 3.8/8313=24...(16) HA MET 59 + QB ALA 60 OK 46 98 - 47 - 10411=14, 8309/2.1=12...(11) HA GLU 28 - QB ALA 60 lone 9 92 - 9 - 3234/8313=2 Peak 8312 from cnoeabs.peaks (3.63, 1.34, 16.46 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.80: HA LYS 61 + QB ALA 60 OK 67 77 - 87 - 3.0/1648=40, ~1644=25...(15) HA2 GLY 94 + QB ALA 60 OK 40 94 - 42 - 8310/2.1=28, 1.8/1646=7...(5) Peak 8313 from cnoeabs.peaks (3.43, 1.34, 16.46 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.83: HD2 PRO 98 + QB ALA 60 OK 83 100 - 84 - 9145=27, 3.6/8311=23...(15) Peak 8315 from cnoeabs.peaks (7.72, 1.34, 16.46 ppm; 4.32 A): 3 out of 4 assignments used, quality = 0.79: H GLN 62 + QB ALA 60 OK 65 89 - 73 - 3.3/1648=33...(12) H LEU 132 + QB ALA 60 OK 30 94 - 31 - 4.1/8320=10, 3.6/8326=7...(8) H SER 100 + QB ALA 60 OK 14 94 - 15 - 6573/3.7=3, 10145/10529=3 HD21 ASN 128 - QB ALA 60 lone 6 100 - 6 - 6573/3.7=1 Peak 8316 from cnoeabs.peaks (1.22, 3.96, 53.08 ppm; 4.74 A): 0 out of 4 assignments used, low quality = 0.40: HG12 ILE 101 - HA ALA 60 OK 40 77 - 52 - ~10540=15, 2.1/8317=12...(9) HD3 LYS 123 - HA ALA 60 lone 10 100 - 9 - ~8328=3, 9865/4.9=1 QG2 THR 107 - HA ALA 60 lone 9 100 - 9 - 4.0/7251=2, 4.4/7266=1...(4) HB3 LEU 87 - HA ALA 60 lone 6 68 - 10 - 4.6/11698=3, 9865/4.9=1, ~8325=1 Peak 8317 from cnoeabs.peaks (0.89, 3.96, 53.08 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.97: QD1 ILE 101 + HA ALA 60 OK 67 100 - 67 - 2.1/8316=28...(11) QG2 ILE 101 + HA ALA 60 OK 62 99 - 63 - 3.2/8316=23, ~10540=11...(14) QD1 LEU 97 + HA ALA 60 OK 58 96 - 60 - 11585/2.1=18, ~11586=15...(12) QG2 ILE 136 + HA ALA 60 OK 39 99 - 40 - ~9692=13, ~8326=8...(10) QG2 VAL 80 - HA ALA 60 poor 10 94 - 10 - 8272/8318=3, 8755/8318=2 Peak 8318 from cnoeabs.peaks (0.58, 3.96, 53.08 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.94: QG2 ILE 58 + HA ALA 60 OK 85 100 - 85 - 10416/2.1=31...(8) QD1 LEU 132 + HA ALA 60 OK 33 85 - 38 - 8320/2.1=17, 8330/4.8=7...(6) QG1 VAL 71 + HA ALA 60 OK 24 98 - 24 - 8320/2.1=13, 8322/3.6=3...(4) QD1 LEU 66 + HA ALA 60 OK 18 100 - 18 - 8320/2.1=4, 8322/3.6=3...(4) Peak 8319 from cnoeabs.peaks (0.87, 1.34, 16.46 ppm; 2.95 A): 5 out of 8 assignments used, quality = 0.72: QD1 LEU 97 + QB ALA 60 OK 35 85 - 41 - 2.1/11586=12...(9) QG2 ILE 101 + QB ALA 60 OK 26 77 - 33 - 3.2/9851=6, ~8316=5...(9) QD1 ILE 101 + QB ALA 60 OK 22 62 - 36 - ~8316=7, ~8316=5...(11) QG2 ILE 136 + QB ALA 60 OK 16 77 - 20 - 3.2/9692=6, 2.1/8326=6...(5) QG2 ILE 56 + QB ALA 60 OK 13 98 - 13 - 2.1/8326=2, 8299/4.8=1...(4) QD1 LEU 64 - QB ALA 60 poor 10 81 - 12 - 8299/4.8=4, 11016/4.8=3...(4) QG2 ILE 83 - QB ALA 60 poor 7 62 - 11 - 8299/4.8=3, 3.2/8326=2...(4) HB3 LEU 42 - QB ALA 60 lone 3 100 - 3 - Peak 8320 from cnoeabs.peaks (0.58, 1.34, 16.46 ppm; 4.79 A): 2 out of 5 assignments used, quality = 0.92: QG2 ILE 58 + QB ALA 60 OK 86 98 - 88 - 8295/3.7=30, 10416=30...(14) QD1 LEU 132 + QB ALA 60 OK 44 99 - 45 - 3.2/8326=9, 4.1/8315=8...(14) QG1 VAL 71 - QB ALA 60 OK 23 100 - 23 - 8318/2.1=5, 8322/3.7=3...(7) QD1 LEU 66 - QB ALA 60 OK 21 94 - 23 - 8318/2.1=4, 8322/3.7=3...(6) QD1 ILE 56 - QB ALA 60 OK 11 68 - 16 - 3.1/8319=4, 3.2/8326=3...(4) Peak 8323 from cnoeabs.peaks (1.95, 3.96, 53.08 ppm; 6.69 A): 2 out of 8 assignments used, quality = 1.00: HB3 PRO 98 + HA ALA 60 OK 99 100 - 99 - ~8313=43, ~8311=40...(20) HB2 LYS 61 + HA ALA 60 OK 90 96 - 93 - 3.8/1644=47, 3.0/8333=33...(12) HB3 MET 11 - HA ALA 60 OK 31 81 - 38 - ~8328=11, 1651/4.8=6...(9) HB ILE 56 - HA ALA 60 OK 30 99 - 30 - ~8319=5, ~8319=4...(8) HG2 PRO 52 - HA ALA 60 OK 18 72 - 24 - ~8326=5, 2.3/8324=4...(7) HB3 PRO 52 - HA ALA 60 OK 16 68 - 24 - ~8326=5, 1.8/8324=4...(7) HB2 LYS 34 - HA ALA 60 OK 16 77 - 21 - ~8327=6, 1651/4.8=5...(5) HB3 GLU 122 - HA ALA 60 OK 12 85 - 13 - 1651/4.8=5, ~8327=2, 8326/2.1=2 Peak 8324 from cnoeabs.peaks (2.05, 3.96, 53.08 ppm; 5.41 A): 2 out of 5 assignments used, quality = 0.99: HG2 PRO 98 + HA ALA 60 OK 94 99 - 95 - ~8313=36, ~8313=30...(17) HG3 PRO 98 + HA ALA 60 OK 87 92 - 95 - ~8313=36, ~8313=30...(18) HB2 PRO 52 - HA ALA 60 OK 18 98 - 18 - ~8326=5, ~8326=3...(6) HB2 PRO 33 - HA ALA 60 lone 3 85 - 4 - 9183/8316=1 HA ARG 35 - HA ALA 60 lone 3 92 - 4 - Peak 8325 from cnoeabs.peaks (1.61, 1.34, 16.46 ppm; 4.09 A): 5 out of 13 assignments used, quality = 0.92: HB2 LEU 97 + QB ALA 60 OK 64 100 - 65 - 4.8/8313=20...(17) HD2 LYS 61 + QB ALA 60 OK 34 72 - 47 - 5.2/10527=13...(9) HD3 LYS 61 + QB ALA 60 OK 34 72 - 47 - 5.2/10527=13...(9) HG3 ARG 49 + QB ALA 60 OK 33 92 - 36 - 3.0/1286=5, 1277=5...(11) HG3 LYS 48 + QB ALA 60 OK 19 98 - 20 - 1184/2.1=3, 4.9/6465=2...(5) HB3 LEU 64 - QB ALA 60 lone 8 85 - 10 - 3.2/8319=3, 9131/8313=2 HB2 LEU 87 - QB ALA 60 lone 8 89 - 9 - 9863/10416=2, ~8316=2 HG2 ARG 141 - QB ALA 60 lone 7 100 - 7 - 3.8/9816=2, 3218/11586=1 HG LEU 108 - QB ALA 60 lone 5 100 - 5 - HG2 ARG 144 - QB ALA 60 lone 5 99 - 5 - HG3 ARG 144 - QB ALA 60 lone 4 85 - 5 - HG3 LYS 36 - QB ALA 60 lone 3 72 - 4 - HB2 LEU 79 - QB ALA 60 lone 3 81 - 3 - Peak 8326 from cnoeabs.peaks (1.94, 1.34, 16.46 ppm; 3.82 A): 5 out of 7 assignments used, quality = 0.92: HB3 PRO 98 + QB ALA 60 OK 76 96 - 79 - 2.3/8311=27, 3.0/8313=27...(14) HB2 LYS 61 + QB ALA 60 OK 51 77 - 66 - 3.8/1648=24...(13) HB3 PRO 52 + QB ALA 60 OK 14 92 - 15 - 1.8/8327=3, 3236/8313=2...(8) HG2 PRO 52 + QB ALA 60 OK 14 94 - 14 - 2.3/8327=3, 3236/8313=2...(8) HB ILE 56 + QB ALA 60 OK 13 85 - 15 - 2.1/8319=4, 6565/3.7=1...(6) HB3 GLU 122 - QB ALA 60 lone 7 99 - 7 - 3.0/8327=2 HB2 ARG 89 - QB ALA 60 lone 1 77 - 2 - Peak 8327 from cnoeabs.peaks (2.06, 1.34, 16.46 ppm; 3.53 A): 4 out of 8 assignments used, quality = 0.93: HG3 PRO 98 + QB ALA 60 OK 71 100 - 71 - 2.3/8313=26, 2.3/8328=20...(12) HB3 LYS 61 + QB ALA 60 OK 43 72 - 60 - 3.8/1648=20...(13) HG2 PRO 98 + QB ALA 60 OK 43 62 - 69 - 2.3/8313=26, 2.3/8328=20...(11) HB3 GLN 62 + QB ALA 60 OK 27 92 - 30 - 4.0/8315=9, 2.9/9852=7...(6) HD2 ARG 49 - QB ALA 60 OK 22 85 - 25 - 1.8/1295=5, 1286=5...(7) HB2 PRO 52 - QB ALA 60 OK 17 96 - 18 - 1.8/8326=4, 2.3/8326=3...(7) HA ARG 35 - QB ALA 60 lone 4 100 - 4 - HB2 LEU 26 - QB ALA 60 lone 4 77 - 5 - 8275/10416=2 Peak 8328 from cnoeabs.peaks (2.36, 1.34, 16.46 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.61: HB2 PRO 98 + QB ALA 60 OK 56 72 - 77 - 2.3/8311=27, 3.0/8313=27...(14) HE2 LYS 123 + QB ALA 60 OK 10 92 - 11 - ~8316=2, 9469/8327=2...(5) HB2 GLN 47 - QB ALA 60 lone 9 100 - 9 - 3251/8311=2...(4) HG3 MET 11 - QB ALA 60 lone 5 62 - 8 - 9127/11586=2, ~10591=2 Peak 8330 from cnoeabs.peaks (0.58, 3.62, 57.62 ppm; 3.44 A): 4 out of 4 assignments used, quality = 0.92: QG2 ILE 58 + HA LYS 61 OK 83 100 - 83 - 8330=49, 8295/3.0=22...(18) QD1 LEU 132 + HA LYS 61 OK 37 85 - 43 - 8337/3.5=6, 8322/3.0=5...(19) QD1 LEU 66 + HA LYS 61 OK 15 100 - 15 - 8322/3.0=2, 8337/3.5=2...(4) QG1 VAL 71 + HA LYS 61 OK 14 98 - 15 - 8337/3.5=2, 8322/3.0=2...(6) Peak 8331 from cnoeabs.peaks (0.59, 1.96, 30.27 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.86: QD1 LEU 132 + HB2 LYS 61 OK 74 94 - 78 - 8332/1.8=14, 4512/3.0=9...(26) QD1 ILE 56 + HB2 LYS 61 OK 36 100 - 36 - 1480=6, 8332/1.8=5...(14) QG1 VAL 71 + HB2 LYS 61 OK 15 77 - 19 - 8332/1.8=4, ~8497=2...(9) Peak 8332 from cnoeabs.peaks (0.59, 2.07, 30.27 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.95: QD1 LEU 132 + HB3 LYS 61 OK 79 100 - 79 - 8331/1.8=19, 4512/3.0=9...(26) QG2 ILE 58 + HB3 LYS 61 OK 75 85 - 87 - 8330/3.0=36, 8295/3.8=24...(27) QD1 ILE 56 - HB3 LYS 61 OK 27 89 - 30 - 8331/1.8=9, 3.2/1673=3...(10) QG1 VAL 71 - HB3 LYS 61 OK 23 96 - 24 - 8331/1.8=4, 8330/3.0=3...(9) QD1 LEU 66 - HB3 LYS 61 OK 17 77 - 22 - 8330/3.0=3, 8337/4.6=2...(8) Peak 8333 from cnoeabs.peaks (3.96, 3.62, 57.62 ppm; 4.48 A): 1 out of 6 assignments used, quality = 0.96: HA ALA 60 + HA LYS 61 OK 96 99 - 97 - 4.8=79, 1644/3.0=37...(14) HA PHE 106 - HA LYS 61 OK 19 100 - 19 - 10929=3, 6562/3.0=2...(10) HA3 GLY 94 - HA LYS 61 lone 10 99 - 10 - 6562/3.0=3, 1646/10527=2 HA LYS 48 - HA LYS 61 lone 9 94 - 9 - 6562/3.0=2 HB3 SER 103 - HA LYS 61 lone 4 100 - 4 - HA3 GLY 143 - HA LYS 61 lone 2 77 - 3 - Peak 8334 from cnoeabs.peaks (3.95, 1.26, 25.29 ppm; 4.24 A): 5 out of 14 assignments used, quality = 0.89: HA ALA 60 + HG2 LYS 61 OK 51 94 - 54 - 1644/4.9=20, 8333/3.8=11...(10) HA ALA 60 + HG3 LYS 61 OK 42 78 - 54 - 1644/4.9=20, 8333/3.8=11...(10) HD3 PRO 129 + HG2 LYS 61 OK 36 94 - 38 - 4360/3.0=3, 10929/3.8=3...(20) HD3 PRO 129 + HG3 LYS 61 OK 31 78 - 41 - 3.6/10269=6, 4360/3.0=3...(20) HA PHE 106 + HG2 LYS 61 OK 13 89 - 15 - ~10528=3, 3.0/10528=3...(6) HA PHE 106 - HG3 LYS 61 poor 10 72 - 14 - 3.0/10528=3, ~10528=3...(6) HA LYS 48 - HG2 LYS 61 lone 6 99 - 6 - 8333/3.8=1 HA LYS 48 - HG3 LYS 61 lone 5 84 - 6 - 8333/3.8=1 HA3 GLY 94 - HG2 LYS 61 lone 4 94 - 5 - 6562/4.9=2, 8333/3.8=1 HA3 GLY 94 - HG3 LYS 61 lone 3 78 - 4 - 6562/4.9=2, 8333/3.8=1 HA LEU 29 - HG2 LYS 61 lone 2 92 - 2 - HB3 SER 103 - HG2 LYS 61 lone 2 72 - 3 - HA LEU 29 - HG3 LYS 61 lone 2 75 - 3 - HB3 SER 103 - HG3 LYS 61 lone 2 56 - 3 - Peak 8335 from cnoeabs.peaks (0.60, 2.94, 41.80 ppm; 4.39 A): 4 out of 8 assignments used, quality = 0.64: QD1 LEU 132 + HE2 LYS 61 OK 32 77 - 41 - 8331/4.8=10, 8335=5...(9) QD1 LEU 132 + HE3 LYS 61 OK 31 77 - 41 - 8331/4.8=10, 8335/1.8=5...(9) QD1 ILE 56 + HE3 LYS 61 OK 12 100 - 12 - 8331/4.8=5, 8332/4.8=2 QD1 ILE 56 + HE2 LYS 61 OK 12 100 - 12 - 8331/4.8=5, 8332/4.8=2 QD1 LEU 132 - HE3 LYS 93 lone 5 65 - 8 - 9684/3.0=2, 10298/3.8=1 QD1 ILE 56 - HE3 LYS 93 lone 4 91 - 5 - 10597/3.0=1, 9684/3.0=1 QD1 LEU 132 - HE3 LYS 85 lone 2 43 - 4 - QD1 ILE 56 - HE3 LYS 85 lone 1 65 - 2 - Peak 8336 from cnoeabs.peaks (0.71, 2.94, 41.80 ppm; 3.98 A): 6 out of 12 assignments used, quality = 0.95: QD2 LEU 87 + HE3 LYS 85 OK 48 59 - 82 - 10048/3.5=17...(20) QD1 LEU 87 + HE3 LYS 85 OK 46 57 - 81 - 10051/2.9=18...(17) QD2 LEU 87 + HE2 LYS 61 OK 41 96 - 42 - 8336=16, 8336/1.8=12...(9) QD2 LEU 87 + HE3 LYS 61 OK 39 96 - 41 - 8336=14, 8336/1.8=13...(9) QD1 LEU 87 + HE2 LYS 61 OK 30 94 - 32 - 2.1/8336=12, ~8336=8...(7) QD1 LEU 87 + HE3 LYS 61 OK 29 94 - 31 - 2.1/8336=11, ~8336=8...(7) QD1 LEU 87 - HE3 LYS 93 OK 19 83 - 24 - 8660/3.8=6, 8895/1.8=4...(6) QD2 LEU 87 - HE3 LYS 93 OK 19 85 - 23 - 8897/5.1=4, ~8895=3...(7) QD2 LEU 108 - HE2 LYS 61 lone 3 62 - 5 - QD2 LEU 108 - HE3 LYS 61 lone 3 62 - 5 - QD2 LEU 108 - HE3 LYS 85 lone 3 34 - 9 - 10041/3.5=2, 10051/2.9=1...(4) QD2 LEU 108 - HE3 LYS 93 lone 2 52 - 4 - 8660/3.8=1 Peak 8342 from cnoeabs.peaks (0.90, 1.93, 32.69 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.70: QG2 VAL 80 + HB2 GLN 62 OK 47 98 - 48 - ~8759=11, 9947=6...(14) QG1 VAL 63 + HB2 GLN 62 OK 35 92 - 38 - ~8366=14, ~8343=7...(8) QD1 ILE 101 + HB2 GLN 62 OK 13 72 - 18 - 8344/2.9=3, 8344/2.9=3...(7) QG1 VAL 53 - HB2 GLN 62 poor 10 94 - 11 - 3.2/9846=2, 8341/4.0=2...(4) Peak 8343 from cnoeabs.peaks (0.91, 2.07, 32.69 ppm; 4.18 A): 4 out of 7 assignments used, quality = 0.68: QG1 VAL 63 + HB3 GLN 62 OK 35 92 - 38 - ~8366=14, 8341/4.0=7...(9) QG2 VAL 63 + HB3 GLN 62 OK 32 77 - 42 - 8366/3.0=15, 8340/4.6=9...(7) HB2 LEU 64 + HB3 GLN 62 OK 20 99 - 21 - 8340/4.6=4, 8344/2.9=3...(8) QD2 LEU 29 + HB3 GLN 62 OK 10 100 - 10 - 8341/4.0=2, 8340/4.6=2...(4) QG1 VAL 53 - HB3 GLN 62 poor 9 89 - 11 - 8341/4.0=2, ~9846=2...(5) QG2 ILE 91 - HB3 GLN 62 lone 4 77 - 5 - HB2 LEU 108 - HB3 GLN 62 lone 2 68 - 3 - Peak 8344 from cnoeabs.peaks (0.92, 2.29, 33.54 ppm; 3.95 A): 6 out of 14 assignments used, quality = 0.81: QG2 VAL 63 + HG3 GLN 62 OK 36 92 - 40 - 8366/3.9=14, 8340/3.5=11...(6) QG2 VAL 63 + HG2 GLN 62 OK 35 88 - 40 - 8366/3.9=14, 8340/3.5=11...(6) HB2 LEU 64 + HG3 GLN 62 OK 19 100 - 19 - 8340/3.5=5, 8343/2.9=5...(7) HB2 LEU 64 + HG2 GLN 62 OK 19 98 - 19 - 8340/3.5=5, 8343/2.9=5...(7) QG1 VAL 63 + HG3 GLN 62 OK 18 77 - 23 - 8343/2.9=8, 8341/4.9=5...(5) QG1 VAL 63 + HG2 GLN 62 OK 17 73 - 23 - 8343/2.9=8, 8341/4.9=5...(5) QD2 LEU 29 - HG3 GLN 62 lone 8 99 - 8 - 8340/3.5=3, 8343/2.9=2 QD2 LEU 29 - HG2 GLN 62 lone 8 96 - 8 - 8340/3.5=3, 8343/2.9=2 QG1 VAL 53 - HG3 GLN 62 lone 6 72 - 8 - 8343/2.9=2, 8341/4.9=2...(4) QG1 VAL 53 - HG2 GLN 62 lone 5 68 - 8 - 8343/2.9=2, 8341/4.9=2...(4) QG2 ILE 91 - HG2 GLN 62 lone 4 88 - 4 - 8340/3.5=1 QG2 ILE 91 - HG3 GLN 62 lone 4 92 - 4 - 8340/3.5=1 HB2 LEU 108 - HG3 GLN 62 lone 2 85 - 2 - HB2 LEU 108 - HG2 GLN 62 lone 2 81 - 2 - Peak 8345 from cnoeabs.peaks (0.61, 2.29, 33.54 ppm; 6.05 A): 4 out of 4 assignments used, quality = 0.64: QD2 LEU 79 + HG3 GLN 62 OK 32 100 - 32 - 2.1/9828=9, ~9828=7...(8) QD2 LEU 79 + HG2 GLN 62 OK 30 97 - 30 - 2.1/9828=9, ~9828=8...(8) QD2 LEU 64 + HG3 GLN 62 OK 14 62 - 23 - ~8343=6, 3.1/8344=5...(6) QD2 LEU 64 + HG2 GLN 62 OK 13 59 - 23 - ~8343=6, 3.1/8344=5...(6) Peak 8346 from cnoeabs.peaks (0.59, 2.07, 32.69 ppm; 6.44 A): 4 out of 5 assignments used, quality = 0.87: QD1 LEU 132 + HB3 GLN 62 OK 67 100 - 67 - 8347/1.8=18, 4510/4.0=13...(16) QG2 ILE 58 + HB3 GLN 62 OK 39 81 - 48 - 8294/4.0=19, 8347/1.8=14...(8) QG1 VAL 71 + HB3 GLN 62 OK 22 94 - 23 - 8347/1.8=6, 8337/4.0=4...(5) QD1 LEU 66 + HB3 GLN 62 OK 16 72 - 22 - 8347/1.8=6, 8345/2.9=4...(4) QD1 ILE 56 - HB3 GLN 62 poor 10 92 - 10 - 8347/1.8=1, 9866/8343=1 Peak 8347 from cnoeabs.peaks (0.58, 1.93, 32.69 ppm; 5.38 A): 4 out of 5 assignments used, quality = 0.87: QD1 LEU 132 + HB2 GLN 62 OK 60 99 - 61 - 8346/1.8=12, 8337/4.0=11...(19) QG2 ILE 58 + HB2 GLN 62 OK 48 98 - 49 - 8294/4.0=22, 8275/1.8=15...(7) QG1 VAL 71 + HB2 GLN 62 OK 22 100 - 22 - 8337/4.0=4, 8346/1.8=4...(5) QD1 LEU 66 + HB2 GLN 62 OK 19 94 - 20 - 8337/4.0=4, 8345/2.9=3...(7) QD1 ILE 56 - HB2 GLN 62 lone 5 68 - 7 - 8346/1.8=2 Peak 8348 from cnoeabs.peaks (0.56, 4.03, 62.73 ppm; 3.46 A): 2 out of 3 assignments used, quality = 0.91: QD1 ILE 58 + HA VAL 63 OK 82 99 - 83 - 8284=29, 8350/3.2=25...(14) QG2 ILE 58 + HA VAL 63 OK 46 57 - 81 - 8349/3.0=19, 3.1/8284=16...(22) QD1 LEU 66 - HA VAL 63 poor 8 68 - 11 - 9837/3.6=2, 8350/3.2=2...(4) Peak 8349 from cnoeabs.peaks (0.56, 1.99, 31.91 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.95: QD1 ILE 58 + HB VAL 63 OK 90 99 - 91 - 8350/2.1=38, 8351/2.1=38...(16) QG2 ILE 58 + HB VAL 63 OK 54 57 - 95 - 8349=39, 8348/3.0=16...(28) QD1 LEU 66 - HB VAL 63 OK 10 68 - 15 - 8350/2.1=3, 8351/2.1=3...(5) Peak 8350 from cnoeabs.peaks (0.57, 0.91, 21.64 ppm; 2.92 A): 5 out of 5 assignments used, quality = 0.90: QG2 ILE 58 + QG1 VAL 63 OK 71 96 - 73 - 3.1/8350=19, 8349/2.1=16...(24) QD1 ILE 58 + QG1 VAL 63 OK 48 68 - 71 - 8350=38, 8351/2.1=17...(16) QD1 LEU 66 + QG1 VAL 63 OK 16 99 - 16 - 8521/10936=1, 8351/2.1=1...(4) QG1 VAL 71 + QG1 VAL 63 OK 13 85 - 15 - 4.0/1802=3, 2.1/9870=2...(4) QD1 LEU 132 + QG1 VAL 63 OK 12 62 - 20 - 9600=4, 2.1/9596=4...(7) Peak 8351 from cnoeabs.peaks (0.56, 0.93, 20.65 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.89: QD1 ILE 58 + QG2 VAL 63 OK 80 99 - 81 - 8351=38, 8350/2.1=27...(18) QG2 ILE 58 + QG2 VAL 63 OK 44 57 - 77 - 3.1/8351=20, 8349/2.1=17...(23) QD1 LEU 66 - QG2 VAL 63 poor 9 68 - 13 - 8350/2.1=2, 9857/8353=2...(6) Peak 8352 from cnoeabs.peaks (1.66, 0.93, 20.65 ppm; 3.50 A): 5 out of 13 assignments used, quality = 0.73: HB2 PRO 57 + QG2 VAL 63 OK 46 77 - 60 - 1.8/9830=17, ~8363=9...(12) HB VAL 71 + QG2 VAL 63 OK 22 99 - 22 - 3.8/1807=4, 2086/4.3=4...(7) HB2 MET 68 + QG2 VAL 63 OK 19 100 - 19 - 2.9/10992=6, 9870/2.1=5...(4) HD3 LYS 93 + QG2 VAL 63 OK 11 81 - 14 - ~10956=4, ~11455=3...(4) HG2 ARG 124 + QG2 VAL 63 OK 11 100 - 11 - 8352=3, 11071/9866=1 HG13 ILE 136 - QG2 VAL 63 poor 10 92 - 10 - 9870/2.1=2, ~10466=1 HD2 LYS 48 - QG2 VAL 63 lone 7 99 - 7 - ~11455=1, ~9870=1, 8352=1 HB2 LEU 95 - QG2 VAL 63 lone 7 99 - 7 - 3.9/9057=1, ~10956=1 HB2 LYS 114 - QG2 VAL 63 lone 5 81 - 6 - 8352=2 HD3 LYS 48 - QG2 VAL 63 lone 5 81 - 6 - 9870/2.1=1, 1.8/8352=1 HG2 ARG 140 - QG2 VAL 63 lone 3 94 - 3 - HB2 ARG 145 - QG2 VAL 63 lone 3 94 - 3 - HG2 ARG 89 - QG2 VAL 63 lone 2 99 - 2 - Peak 8353 from cnoeabs.peaks (1.15, 0.93, 20.65 ppm; 3.18 A): 6 out of 6 assignments used, quality = 0.79: HG LEU 64 + QG2 VAL 63 OK 46 68 - 68 - 8353=19, ~9869=11...(28) QG2 THR 92 + QG2 VAL 63 OK 27 100 - 27 - 8353=9, 8356/2.1=4...(5) QD1 LEU 69 + QG2 VAL 63 OK 17 68 - 26 - 9871/2.1=7, 9894=4...(6) HB2 LEU 72 + QG2 VAL 63 OK 17 68 - 25 - 9871/2.1=7, 8356/2.1=4...(8) QG2 THR 18 + QG2 VAL 63 OK 14 72 - 19 - 10864/2.1=4, 2.1/8362=3...(7) HG2 LYS 76 + QG2 VAL 63 OK 12 77 - 16 - 8353=4, 8356/2.1=3...(4) Peak 8354 from cnoeabs.peaks (1.27, 4.03, 62.73 ppm; 3.68 A): 0 out of 7 assignments used, low quality = 0.36: QB ALA 104 - HA VAL 63 OK 20 77 - 26 - 2.1/3403=8, 9203=5...(7) HB2 LEU 132 - HA VAL 63 OK 11 92 - 12 - ~9600=2, ~9596=2, 9593/3.2=1 QG2 THR 99 - HA VAL 63 OK 11 85 - 13 - 10118=5, 9153/3.0=2 HB3 LEU 97 - HA VAL 63 lone 7 77 - 9 - 10405/10401=2, ~11455=2, ~9870=1 QG2 THR 102 - HA VAL 63 lone 5 100 - 5 - 10509/8364=2 HG2 LYS 61 - HA VAL 63 lone 5 99 - 5 - 10845/8348=1 HG3 LYS 61 - HA VAL 63 lone 3 85 - 4 - 10845/8348=1 Peak 8356 from cnoeabs.peaks (1.16, 1.99, 31.91 ppm; 4.50 A): 4 out of 4 assignments used, quality = 0.78: HB2 LEU 72 + HB VAL 63 OK 35 92 - 38 - 9871/2.1=11, 8353/2.1=6...(11) QG2 THR 92 + HB VAL 63 OK 35 99 - 35 - 8356=12, 8353/2.1=10...(7) QD1 LEU 69 + HB VAL 63 OK 32 92 - 35 - 9871/2.1=13, 9894/2.1=8...(8) HG2 LYS 76 + HB VAL 63 OK 25 96 - 26 - 8356=8, 8353/2.1=4...(6) Peak 8358 from cnoeabs.peaks (3.75, 0.93, 20.65 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.78: HA3 GLY 15 + QG2 VAL 63 OK 54 100 - 54 - 8358=26, 1.8/8358=21...(7) HA2 GLY 15 + QG2 VAL 63 OK 53 100 - 53 - 1.8/8358=26, 8358=19...(7) QA GLY 2 - QG2 VAL 63 lone 7 100 - 6 - 8358=3, 9760/8366=1 Peak 8359 from cnoeabs.peaks (3.33, 0.93, 20.65 ppm; 6.03 A): 3 out of 3 assignments used, quality = 0.87: HD3 PRO 57 + QG2 VAL 63 OK 58 85 - 68 - 3.0/9830=22, ~10936=19...(6) HD2 PRO 57 + QG2 VAL 63 OK 50 72 - 69 - 10936/2.1=24...(7) HB3 PHE 38 + QG2 VAL 63 OK 39 96 - 40 - 10936/2.1=21, ~10932=7...(6) Peak 8360 from cnoeabs.peaks (2.39, 0.93, 20.65 ppm; 3.27 A): 4 out of 8 assignments used, quality = 0.97: HG2 GLN 25 + QG2 VAL 63 OK 71 100 - 71 - 8361/2.1=21, 1.8/8360=13...(16) HB ILE 91 + QG2 VAL 63 OK 59 100 - 59 - 2957=7, 3.2/2989=5...(24) HG3 GLN 25 + QG2 VAL 63 OK 53 77 - 69 - 8360=18, ~8361=13...(15) HG3 MET 59 + QG2 VAL 63 OK 43 100 - 43 - 1.8/8360=8, 8360=7...(18) HG2 MET 59 - QG2 VAL 63 OK 41 96 - 43 - 8360=7, 1.8/8360=7...(18) HG2 MET 46 - QG2 VAL 63 OK 19 100 - 19 - 8360=4, 3.3/10700=3...(6) HG3 GLU 37 - QG2 VAL 63 OK 15 96 - 16 - 8360=4, 8361/2.1=2...(4) HG3 MET 11 - QG2 VAL 63 OK 12 68 - 18 - 3.9/8366=4, 8361/2.1=3 Peak 8361 from cnoeabs.peaks (2.40, 0.91, 21.64 ppm; 3.87 A): 3 out of 5 assignments used, quality = 0.96: HG3 GLN 25 + QG1 VAL 63 OK 83 100 - 83 - 1.8/8361=30, 3.5/9836=16...(18) HG2 GLN 25 + QG1 VAL 63 OK 60 72 - 82 - 8361=31, 3.5/9836=16...(18) HB ILE 91 + QG1 VAL 63 OK 46 72 - 64 - 2.1/1801=11, ~1796=6...(27) HG3 MET 59 - QG1 VAL 63 OK 39 72 - 54 - 3.7/8301=9, ~8360=7...(23) HG2 MET 46 - QG1 VAL 63 OK 17 77 - 23 - ~10700=4, 3.0/9873=4...(5) Peak 8362 from cnoeabs.peaks (4.42, 0.93, 20.65 ppm; 4.48 A): 3 out of 5 assignments used, quality = 0.93: HA ILE 58 + QG2 VAL 63 OK 67 77 - 87 - 4.1/8351=30, 8362=20...(15) HA PRO 57 + QG2 VAL 63 OK 60 81 - 74 - 8363/2.1=23, 2.3/9830=20...(11) HA ASP 40 + QG2 VAL 63 OK 44 99 - 45 - 8363/2.1=12, 11303/2.1=9...(12) HA ASN 84 - QG2 VAL 63 OK 25 72 - 35 - 8362=8, 9877/2.1=5...(10) HA PRO 33 - QG2 VAL 63 OK 22 85 - 26 - 8363/2.1=7, 11303/2.1=4...(7) Peak 8363 from cnoeabs.peaks (4.42, 1.99, 31.91 ppm; 3.69 A): 3 out of 3 assignments used, quality = 0.76: HA PRO 57 + HB VAL 63 OK 58 96 - 60 - 8363=25, 11303/2.1=10...(10) HA ASP 40 + HB VAL 63 OK 30 89 - 34 - 8363=13, 11303/2.1=6...(10) HA PRO 33 + HB VAL 63 OK 17 98 - 17 - 8363=8, 11303/2.1=3...(5) Peak 8364 from cnoeabs.peaks (4.46, 4.03, 62.73 ppm; 2.97 A): 0 out of 5 assignments used, low quality = 0.00: HA SER 103 - HA VAL 63 lone 8 89 - 9 - 3385=4, 3.0/3395=1 HA ASP 41 - HA VAL 63 lone 4 100 - 4 - 2.9/6289=2 HA SER 44 - HA VAL 63 lone 4 85 - 5 - ~9832=2 HA ASP 137 - HA VAL 63 lone 3 100 - 3 - HA3 GLY 31 - HA VAL 63 lone 1 92 - 1 - Peak 8366 from cnoeabs.peaks (4.67, 0.93, 20.65 ppm; 4.05 A): 0 out of 2 assignments used, low quality = 0.41: HA GLN 62 - QG2 VAL 63 OK 33 89 - 37 - 10125/3.2=7, ~8341=6...(8) HA MET 11 - QG2 VAL 63 OK 13 96 - 13 - 9760/8358=2, 17/2.1=2...(5) Peak 8367 from cnoeabs.peaks (7.82, 0.93, 20.65 ppm; 3.89 A): 5 out of 5 assignments used, quality = 0.85: H LEU 26 + QG2 VAL 63 OK 49 81 - 60 - 2.9/10544=12...(16) H TYR 27 + QG2 VAL 63 OK 49 99 - 49 - 9832/2.1=14, 3.1/8056=13...(8) H SER 44 + QG2 VAL 63 OK 20 100 - 20 - 9832/2.1=8, ~8364=3...(6) H GLY 94 + QG2 VAL 63 OK 16 99 - 16 - 9832/2.1=5, 9048=3...(4) H THR 110 + QG2 VAL 63 OK 14 94 - 15 - 9832/2.1=3, 4.6/7286=3...(6) Peak 8368 from cnoeabs.peaks (2.07, 1.62, 42.22 ppm; 4.13 A): 8 out of 18 assignments used, quality = 0.92: HG3 PRO 98 + HB3 LEU 64 OK 51 89 - 57 - ~9142=11, 10147/3.8=10...(14) HG3 PRO 98 + HB2 LEU 87 OK 34 85 - 40 - ~9145=6, ~9146=6...(10) HD2 ARG 49 + HB3 LEU 64 OK 25 99 - 25 - 1288=3, ~9881=3...(8) HB3 GLN 62 + HB2 LEU 87 OK 23 98 - 24 - 3.0/2778=2, 1765/3.0=2...(11) HD2 ARG 49 + HB2 LEU 87 OK 22 96 - 23 - 1288=3, 1.8/1297=3...(9) HB2 PRO 129 + HB2 LEU 87 OK 21 82 - 26 - 4375/3.0=3, ~4383=2...(11) HB2 LEU 26 + HB3 LEU 64 OK 15 96 - 16 - ~10569=3, ~10900=2...(6) HB3 GLN 62 + HB3 LEU 64 OK 15 100 - 15 - 8343/1.8=7, ~8344=2...(4) HA ARG 35 - HB3 LEU 64 poor 10 89 - 11 - ~9848=3, ~10988=2...(4) HB3 LYS 61 - HB2 LEU 87 lone 6 91 - 7 - 4.8/8886=2, 4.8/8886=2 HG2 GLU 122 - HB2 LEU 87 lone 6 78 - 7 - 9458/1.8=3, ~10766=1 HB3 LYS 61 - HB3 LEU 64 lone 4 94 - 5 - 10291/1.8=1 HG2 GLU 122 - HB3 LEU 64 lone 4 81 - 5 - 9453/3.0=1 HB2 LEU 26 - HB2 LEU 87 lone 4 93 - 4 - HB2 PRO 52 - HB3 LEU 64 lone 3 77 - 4 - HA ARG 35 - HB2 LEU 87 lone 2 85 - 3 - 2.8/6179=1 HB2 PRO 129 - HB3 LEU 64 lone 2 85 - 3 - HB2 PRO 52 - HB2 LEU 87 lone 2 73 - 2 - Peak 8373 from cnoeabs.peaks (2.14, 0.63, 25.34 ppm; 3.96 A): 3 out of 5 assignments used, quality = 0.74: HG LEU 29 + QD2 LEU 64 OK 61 77 - 79 - 8373=22, 3.0/10623=19...(22) HB2 GLN 133 + QD2 LEU 64 OK 19 100 - 19 - 8373=7, 1.8/8373=6...(4) HB3 GLN 133 + QD2 LEU 64 OK 19 100 - 19 - 8373=7, 1.8/8373=6...(4) HG2 GLU 81 - QD2 LEU 64 lone 8 98 - 8 - 8373=2, 4.9/9848=1, 3.7/9840=1 HG3 PRO 118 - QD2 LEU 64 lone 7 92 - 8 - 8373=3, 2.3/9842=2 Peak 8374 from cnoeabs.peaks (2.35, 0.63, 25.34 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.82: HB2 PRO 98 + QD2 LEU 64 OK 75 92 - 82 - ~9142=25, ~8368=14...(15) HE2 LYS 123 + QD2 LEU 64 OK 26 100 - 26 - 3.0/10916=5, 6.2/9840=3...(8) HB2 GLN 47 - QD2 LEU 64 lone 8 100 - 8 - ~10427=1 Peak 8376 from cnoeabs.peaks (3.69, 0.86, 22.38 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.66: HA ILE 91 + QD1 LEU 64 OK 66 77 - 85 - ~8968=28, ~8968=18...(19) Peak 8378 from cnoeabs.peaks (2.37, 0.86, 22.38 ppm; 3.56 A): 3 out of 7 assignments used, quality = 0.83: HG2 MET 59 + QD1 LEU 64 OK 53 81 - 65 - 8378=14, 1.8/8378=11...(19) HG3 MET 59 + QD1 LEU 64 OK 40 62 - 64 - 8378=13, 1.8/8378=12...(19) HB ILE 91 + QD1 LEU 64 OK 39 62 - 62 - 8378=12, 3.0/8376=7...(22) HG2 GLN 25 - QD1 LEU 64 poor 9 62 - 15 - 1.8/8378=3, 10929/4.5=2...(4) HG3 MET 11 - QD1 LEU 64 lone 7 100 - 7 - 9024/9027=2 HG3 GLU 37 - QD1 LEU 64 lone 5 81 - 6 - 9024/9027=2 HB2 GLN 47 - QD1 LEU 64 lone 1 68 - 2 - Peak 8381 from cnoeabs.peaks (0.96, 2.47, 38.94 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.92: QD1 LEU 29 + HB2 ASP 65 OK 87 100 - 87 - 8065=37, 2.1/8066=27...(13) QG2 THR 51 + HB2 ASP 65 OK 26 100 - 27 - 8387/3.0=7, 2.1/1862=6...(8) HG3 ARG 35 + HB2 ASP 65 OK 18 100 - 18 - ~11188=6, ~10901=4...(6) Peak 8382 from cnoeabs.peaks (0.78, 2.47, 38.94 ppm; 4.33 A): 5 out of 5 assignments used, quality = 0.75: QD2 LEU 95 + HB2 ASP 65 OK 35 99 - 36 - 8384/1.8=12, 9853/4.0=7...(10) QD1 LEU 79 + HB2 ASP 65 OK 30 100 - 30 - 8384/1.8=10, 9853/4.0=8...(6) QG2 THR 74 + HB2 ASP 65 OK 20 100 - 19 - 8384/1.8=7, 9853/4.0=6...(5) QD2 LEU 126 + HB2 ASP 65 OK 18 89 - 21 - 11441/4.6=5, 9853/4.0=5...(4) QG1 VAL 80 + HB2 ASP 65 OK 15 62 - 25 - 8384/1.8=5, 2.1/11481=5...(9) Peak 8383 from cnoeabs.peaks (0.94, 3.04, 38.94 ppm; 4.30 A): 0 out of 3 assignments used, low quality = 0.33: QG2 VAL 63 - HB3 ASP 65 OK 33 57 - 58 - 8387/3.0=26, ~10937=16...(7) HB2 LEU 108 - HB3 ASP 65 lone 6 68 - 9 - 8387/3.0=5, ~11446=2 QG2 ILE 91 - HB3 ASP 65 lone 4 57 - 8 - 8387/3.0=5 Peak 8384 from cnoeabs.peaks (0.78, 3.04, 38.94 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.73: QD2 LEU 95 + HB3 ASP 65 OK 39 100 - 39 - 8382/1.8=12, 9853/4.0=8...(14) QD1 LEU 79 + HB3 ASP 65 OK 33 99 - 33 - 8382/1.8=10, 9853/4.0=9...(7) QG2 THR 74 + HB3 ASP 65 OK 21 96 - 22 - 8382/1.8=7, 9853/4.0=6...(4) QD2 LEU 126 + HB3 ASP 65 OK 16 72 - 22 - 8382/1.8=6, 9853/4.0=6...(4) Peak 8385 from cnoeabs.peaks (1.73, 4.35, 52.40 ppm; 4.21 A): 6 out of 9 assignments used, quality = 0.85: HG LEU 66 + HA ASP 65 OK 53 98 - 55 - 2.1/9885=21, 4.8/1860=18...(7) HB3 ARG 144 + HA ASP 65 OK 34 100 - 34 - 4893=7, 1.8/4884=5...(15) HB3 GLU 81 + HA ASP 65 OK 22 100 - 22 - 2454/3.6=6, 3.0/8768=5...(6) HB2 GLU 81 + HA ASP 65 OK 18 85 - 21 - 2447/3.6=5, 3.0/8768=5...(6) HB3 ARG 109 + HA ASP 65 OK 12 94 - 13 - 6640/3.6=5, ~3526=3...(5) HD2 LYS 36 + HA ASP 65 OK 11 100 - 11 - 2454/3.6=2, ~9887=1, 10516=1 HG3 ARG 89 - HA ASP 65 lone 5 99 - 5 - 6640/3.6=1 HB2 ARG 49 - HA ASP 65 lone 3 77 - 4 - HG3 ARG 140 - HA ASP 65 lone 1 81 - 2 - Peak 8386 from cnoeabs.peaks (1.16, 4.35, 52.40 ppm; 3.52 A): 0 out of 4 assignments used, low quality = 0.37: QD1 LEU 69 - HA ASP 65 OK 24 99 - 24 - 9875/3.0=5, ~9878=3...(7) HG2 LYS 76 - HA ASP 65 OK 18 100 - 18 - 8075/8062=4, 9882/3.6=3...(6) HB2 LEU 72 - HA ASP 65 lone 9 99 - 10 - 8075/8062=2, ~11444=1...(4) QG2 THR 92 - HA ASP 65 lone 8 92 - 9 - 10090/11615=2, 9891/9885=1 Peak 8387 from cnoeabs.peaks (0.94, 4.35, 52.40 ppm; 3.68 A): 0 out of 3 assignments used, low quality = 0.34: QG2 VAL 63 - HA ASP 65 OK 34 57 - 59 - 8383/3.0=17, 2.1/9876=15...(12) HB2 LEU 108 - HA ASP 65 poor 7 68 - 10 - 8383/3.0=3, 9894/8386=2...(4) QG2 ILE 91 - HA ASP 65 poor 7 57 - 11 - 9894/8386=2, 8383/3.0=2...(5) Peak 8388 from cnoeabs.peaks (0.69, 4.35, 52.40 ppm; 5.88 A): 0 out of 1 assignment used, low quality = 0.00: HB3 LEU 116 - HA ASP 65 lone 5 62 - 8 - 10571/10818=3, 1912/9885=1 Peak 8390 from cnoeabs.peaks (1.01, 3.82, 56.99 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.86: QD2 LEU 116 + HA LEU 66 OK 69 100 - 69 - 11090/3.0=11, 9375=10...(26) QD2 LEU 69 + HA LEU 66 OK 55 100 - 55 - 8462=11, 5.0/1879=9...(14) Peak 8391 from cnoeabs.peaks (0.98, 1.57, 43.18 ppm; 4.82 A): 3 out of 3 assignments used, quality = 1.00: HB2 LEU 39 + HB2 LEU 66 OK 93 99 - 94 - 3.2/11496=16...(42) QD1 LEU 116 + HB2 LEU 66 OK 92 98 - 94 - 9393/3.1=19...(34) HG12 ILE 136 + HB2 LEU 66 OK 73 96 - 75 - 10342/3.1=10, ~10759=9...(27) Peak 8392 from cnoeabs.peaks (1.00, 1.45, 43.18 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.99: QD2 LEU 116 + HB3 LEU 66 OK 85 92 - 92 - 8390/3.0=19...(33) QD1 LEU 116 + HB3 LEU 66 OK 72 81 - 89 - 9889/3.1=18, 8390/3.0=15...(30) HG12 ILE 136 + HB3 LEU 66 OK 60 85 - 71 - 9889/3.1=9, ~10759=8...(23) QD2 LEU 69 + HB3 LEU 66 OK 60 89 - 67 - 9889/3.1=15, 8390/3.0=15...(15) Peak 8393 from cnoeabs.peaks (7.51, 3.82, 56.99 ppm; 4.83 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 25 - HA LEU 66 lone 2 77 - 3 - Peak 8394 from cnoeabs.peaks (6.97, 0.67, 24.82 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.47: QD PHE 38 + QD2 LEU 66 OK 47 77 - 61 - ~8521=21, 2.6/8402=19...(12) HD2 HIS 10 - QD2 LEU 66 lone 9 100 - 9 - 4776/9788=1, 812/8402=1 Peak 8395 from cnoeabs.peaks (6.73, 0.67, 24.82 ppm; 4.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8396 from cnoeabs.peaks (6.28, 4.19, 58.85 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.52: QE PHE 38 + HA PHE 67 OK 52 92 - 56 - 2.2/9868=27, ~9867=16...(6) Peak 8400 from cnoeabs.peaks (4.33, 0.67, 24.82 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.67: HA TYR 70 + QD2 LEU 66 OK 43 99 - 43 - ~9906=19, 4.9/8403=9...(7) HA PRO 12 + QD2 LEU 66 OK 42 99 - 42 - 8400=21, 69/2.1=5...(9) Peak 8402 from cnoeabs.peaks (3.34, 0.67, 24.82 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.81: HD3 PRO 57 + QD2 LEU 66 OK 57 100 - 57 - ~10423=12, ~8521=12...(11) HD2 PRO 57 + QD2 LEU 66 OK 56 100 - 57 - ~10423=12, ~8521=10...(10) Peak 8403 from cnoeabs.peaks (2.95, 0.67, 24.82 ppm; 4.77 A): 2 out of 10 assignments used, quality = 0.95: HB2 TYR 115 + QD2 LEU 66 OK 92 100 - 92 - 9367/2.1=27, 11113=22...(22) HB3 PHE 67 + QD2 LEU 66 OK 34 100 - 34 - 3.7/1921=18, 9860/2.1=6...(6) HE2 LYS 85 - QD2 LEU 66 OK 30 100 - 30 - 9860/2.1=5, ~9860=3...(11) HE3 LYS 85 - QD2 LEU 66 OK 28 94 - 30 - 9860/2.1=4, ~9860=4...(10) HE2 LYS 48 - QD2 LEU 66 OK 16 100 - 16 - 9860/2.1=3, 3.6/1917=2...(4) HE3 LYS 48 - QD2 LEU 66 OK 16 99 - 16 - 9860/2.1=3, 3.6/1917=2...(4) HB2 PHE 106 - QD2 LEU 66 OK 15 100 - 15 - 2.5/11522=5, ~3429=2...(5) HE2 LYS 93 - QD2 LEU 66 OK 11 100 - 11 - 9860/2.1=2, ~9684=1, ~9860=1 HE3 LYS 93 - QD2 LEU 66 poor 8 81 - 10 - ~9860=2, 9860/2.1=1, ~9684=1 HB3 ASN 130 - QD2 LEU 66 lone 3 62 - 5 - 3.4/1914=1 Peak 8404 from cnoeabs.peaks (2.71, 0.67, 24.82 ppm; 5.39 A): 5 out of 6 assignments used, quality = 0.71: HB3 CYS 121 + QD2 LEU 66 OK 35 100 - 35 - 9897/2.1=16, 8404=11...(4) HB2 ASP 137 + QD2 LEU 66 OK 32 81 - 39 - 9897/2.1=14, 8404=11...(6) HB2 ASN 84 + QD2 LEU 66 OK 18 89 - 20 - 4.0/6928=7, 9897/2.1=5...(5) HB3 MET 46 + QD2 LEU 66 OK 11 68 - 17 - 9897/2.1=6, 8241/9862=3...(4) HB2 ASP 32 + QD2 LEU 66 OK 11 72 - 15 - 8404=5, 10813/9910=2 HB3 ASP 16 - QD2 LEU 66 lone 3 89 - 3 - Peak 8405 from cnoeabs.peaks (0.30, 0.67, 24.82 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.52: QD2 LEU 42 + QD2 LEU 66 OK 52 94 - 55 - 8405=22, 9893/2.1=14...(13) Peak 8412 from cnoeabs.peaks (0.97, 4.19, 58.85 ppm; 6.02 A): 3 out of 5 assignments used, quality = 0.94: HB2 LEU 39 + HA PHE 67 OK 83 98 - 85 - ~8406=26, 8407/2.8=19...(17) QD1 LEU 29 + HA PHE 67 OK 42 68 - 63 - 10844/3.0=20...(11) QD1 LEU 116 + HA PHE 67 OK 39 68 - 58 - 2.1/8412=11, 11525/3.0=9...(20) HG12 ILE 136 - HA PHE 67 OK 18 62 - 29 - ~11232=9, 10844/3.0=5...(7) HG3 ARG 35 - HA PHE 67 OK 18 62 - 28 - ~11629=12, 8407/2.8=8...(5) Peak 8414 from cnoeabs.peaks (6.82, 1.91, 15.10 ppm; 3.94 A): 3 out of 3 assignments used, quality = 0.82: QD PHE 67 + QE MET 68 OK 72 100 - 72 - 4.8/1991=16, 2.6/8450=16...(15) HZ2 TRP 88 + QE MET 68 OK 27 100 - 27 - 8415/3.3=5, 8417/3.3=5...(7) HE21 GLN 133 + QE MET 68 OK 11 72 - 15 - 8415/3.3=2, 3.5/1995=2...(6) Peak 8415 from cnoeabs.peaks (6.82, 2.54, 31.81 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.94: QD PHE 67 + HG3 MET 68 OK 90 100 - 90 - 8417/1.8=27, 4.8/1983=26...(20) HZ2 TRP 88 + HG3 MET 68 OK 36 100 - 36 - 8414/3.3=10, 8417/1.8=9...(8) HE21 GLN 133 + HG3 MET 68 OK 15 72 - 20 - 8414/3.3=4, 6668/4.4=4...(9) Peak 8417 from cnoeabs.peaks (6.83, 2.43, 31.81 ppm; 4.26 A): 3 out of 6 assignments used, quality = 0.84: QD PHE 67 + HG2 MET 68 OK 76 96 - 79 - 8414/3.3=19, 8415/1.8=18...(19) HZ2 TRP 88 + HG2 MET 68 OK 26 100 - 26 - 8414/3.3=7, 8415/1.8=7...(5) QD PHE 67 + HB3 PRO 33 OK 12 78 - 15 - 4.8/1975=4, 8415/1980=2...(7) HZ2 TRP 88 - HB3 PRO 33 lone 3 83 - 4 - HD22 ASN 54 - HG2 MET 68 lone 1 81 - 1 - HD22 ASN 54 - HB3 PRO 33 lone 1 62 - 1 - Peak 8418 from cnoeabs.peaks (7.30, 2.43, 31.81 ppm; 4.29 A): 6 out of 8 assignments used, quality = 0.83: H PHE 67 + HG2 MET 68 OK 44 81 - 54 - 6664/4.4=18, 4.3/8417=15...(9) H ARG 35 + HB3 PRO 33 OK 29 69 - 42 - 6172/4.3=22, 6177/1.8=9...(6) QD TYR 115 + HB3 PRO 33 OK 27 81 - 33 - ~10215=7, ~9345=5...(9) H ASP 30 + HG2 MET 68 OK 22 96 - 22 - 8078/3.7=8, 9873/1.8=6...(6) QD TYR 115 + HG2 MET 68 OK 18 99 - 18 - 9873/1.8=6, 6664/4.4=2...(6) H ARG 35 + HG2 MET 68 OK 11 89 - 12 - 9873/1.8=3, 4.6/6158=3 H PHE 67 - HB3 PRO 33 poor 10 62 - 16 - 3.6/1975=5, 4.3/8417=2...(4) H ASP 30 - HB3 PRO 33 poor 8 78 - 11 - 6172/4.3=3, 3.6/10847=3 Peak 8419 from cnoeabs.peaks (7.32, 1.91, 15.10 ppm; 4.08 A): 0 out of 4 assignments used, low quality = 0.12: H ASP 30 - QE MET 68 OK 12 77 - 16 - 3.8/8450=4, 8078/4.6=4...(4) H GLU 81 - QE MET 68 lone 7 85 - 8 - 6873/4.2=2, 4.7/1994=2 QD TYR 115 - QE MET 68 lone 7 68 - 10 - 2.5/8422=3, 9873/3.3=1 H ARG 35 - QE MET 68 lone 3 89 - 4 - Peak 8420 from cnoeabs.peaks (4.27, 1.91, 15.10 ppm; 4.63 A): 4 out of 9 assignments used, quality = 0.69: HA LEU 95 + QE MET 68 OK 49 100 - 49 - 10942/3.3=19...(13) HA PRO 118 + QE MET 68 OK 22 94 - 23 - 3.6/1992=5, 2.3/1995=4...(9) HA ARG 140 + QE MET 68 OK 11 100 - 11 - 4707/4.2=1, 3.8/1993=1 HA ALA 135 + QE MET 68 OK 11 77 - 14 - 2.1/9644=5, 3.6/7747=3...(4) HA SER 138 - QE MET 68 poor 10 89 - 11 - 10469/4.2=2, 2.9/9697=2 HA ARG 49 - QE MET 68 lone 10 100 - 10 - 4.8/8421=3, 5.2/8450=2 HA3 GLY 78 - QE MET 68 lone 9 96 - 9 - 1.8/8450=5 HB THR 99 - QE MET 68 lone 6 92 - 6 - 2.1/9152=1, 10162/8423=1 HA2 GLY 50 - QE MET 68 lone 3 81 - 4 - Peak 8421 from cnoeabs.peaks (3.97, 1.91, 15.10 ppm; 4.29 A): 0 out of 6 assignments used, low quality = 0.29: HA GLU 75 - QE MET 68 OK 19 92 - 21 - 3.6/8414=7, 8510/8425=5...(6) HA3 GLY 94 - QE MET 68 OK 12 72 - 17 - 3.5/9060=3, 11723/8424=3...(7) HA3 GLY 143 - QE MET 68 lone 4 100 - 3 - HA ALA 60 - QE MET 68 lone 4 72 - 5 - HA PHE 106 - QE MET 68 lone 3 81 - 4 - HB3 SER 103 - QE MET 68 lone 2 94 - 2 - Peak 8422 from cnoeabs.peaks (2.97, 1.91, 15.10 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.94: HA VAL 71 + QE MET 68 OK 87 94 - 92 - 3.2/8426=38, 3.2/8425=31...(23) HB3 PHE 67 + QE MET 68 OK 56 72 - 78 - 2.6/8414=25, 4.4/1991=23...(12) HB3 TYR 27 - QE MET 68 OK 16 99 - 16 - 10823/4.6=3, 2093/8426=2...(7) HB2 ASP 30 - QE MET 68 OK 15 72 - 21 - 3.8/8419=12, 1.8/8450=7 HB2 TYR 115 - QE MET 68 OK 14 68 - 20 - 2.5/8419=8, ~9873=3...(6) HE2 LYS 48 - QE MET 68 lone 6 68 - 9 - 6.0/8421=2, 3.0/1993=1 HB2 PHE 106 - QE MET 68 lone 4 72 - 5 - 3.0/8421=2 HE2 LYS 93 - QE MET 68 lone 3 62 - 5 - Peak 8423 from cnoeabs.peaks (1.17, 1.91, 15.10 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.95: HB2 LEU 72 + QE MET 68 OK 88 100 - 88 - 3.4/8454=23, 3.1/8424=19...(29) QD1 LEU 69 + QE MET 68 OK 61 100 - 61 - 4.7/1998=15, 2039=6...(23) HG2 LYS 76 - QE MET 68 OK 26 99 - 27 - 5.1/8414=6, 9914/3.3=4...(9) QG2 THR 92 - QE MET 68 OK 22 68 - 32 - 3.2/8451=7, 10084/4.6=3...(12) QD1 LEU 26 - QE MET 68 OK 12 81 - 15 - 8441/5.9=2, 10577/8425=1...(5) Peak 8424 from cnoeabs.peaks (0.76, 1.91, 15.10 ppm; 2.50 A): 5 out of 5 assignments used, quality = 0.83: QD2 LEU 72 + QE MET 68 OK 49 100 - 49 - 9949=9, ~9912=5...(18) QD1 LEU 72 + QE MET 68 OK 41 94 - 43 - 9912/3.3=9, 2.1/9949=7...(15) QD1 ILE 136 + QE MET 68 OK 26 92 - 28 - 2.1/1993=3, 8427/3.3=3...(11) QD2 LEU 95 + QE MET 68 OK 15 72 - 21 - 10095/3.3=5, 3.9/8420=2...(5) QG2 VAL 73 + QE MET 68 OK 10 89 - 12 - 9925/8454=2 Peak 8425 from cnoeabs.peaks (0.58, 1.91, 15.10 ppm; 2.88 A): 3 out of 4 assignments used, quality = 0.80: QG1 VAL 71 + QE MET 68 OK 71 98 - 73 - 2.1/8426=24, 8514=12...(20) QD1 LEU 66 + QE MET 68 OK 20 100 - 20 - 9890=3, 2096/8426=2...(5) QD1 LEU 132 + QE MET 68 OK 14 85 - 16 - 8434/3.3=2, 2096/8426=2...(4) QG2 ILE 58 - QE MET 68 lone 6 100 - 6 - Peak 8426 from cnoeabs.peaks (0.23, 1.91, 15.10 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 71 + QE MET 68 OK 83 98 - 85 - 2.1/8425=27, 8520=19...(25) Peak 8427 from cnoeabs.peaks (0.77, 2.54, 31.81 ppm; 3.05 A): 5 out of 7 assignments used, quality = 0.93: QD2 LEU 72 + HG3 MET 68 OK 61 89 - 68 - 2.1/9912=21, 8424/3.3=8...(28) QD1 LEU 72 + HG3 MET 68 OK 46 72 - 63 - 9912=14, 8424/3.3=9...(25) QD2 LEU 95 + HG3 MET 68 OK 41 94 - 44 - 10095=10, 9076/1.8=8...(14) QD1 ILE 136 + HG3 MET 68 OK 28 68 - 42 - 8428/1.8=5, 8424/3.3=4...(17) QD1 LEU 79 + HG3 MET 68 OK 18 81 - 22 - 8428/1.8=4, 10095=4...(6) QG2 THR 74 - HG3 MET 68 poor 9 72 - 12 - 8428/1.8=2, 8443/4.4=2...(4) QG2 VAL 73 - HG3 MET 68 lone 6 62 - 10 - 8424/3.3=2, 8437/3.7=2 Peak 8428 from cnoeabs.peaks (0.78, 2.43, 31.81 ppm; 3.23 A): 4 out of 10 assignments used, quality = 0.80: QD2 LEU 95 + HG2 MET 68 OK 57 99 - 58 - 10095/1.8=21, 9076=11...(16) QD1 LEU 79 + HG2 MET 68 OK 32 100 - 32 - 10095/1.8=10, 8430/2.9=6...(6) QG1 VAL 80 + HG2 MET 68 OK 22 62 - 35 - 8430/2.9=6, 2.1/1978=3...(16) QG2 THR 74 + HG2 MET 68 OK 14 100 - 14 - 8430/2.9=3, 8443/4.4=2...(6) QD2 LEU 126 - HG2 MET 68 lone 6 89 - 7 - 8430/2.9=2, ~10257=1 QD2 LEU 95 - HB3 PRO 33 lone 5 81 - 6 - 9076=1, 10095/1980=1 QD1 LEU 79 - HB3 PRO 33 lone 4 84 - 5 - QG1 VAL 80 - HB3 PRO 33 lone 3 46 - 6 - QG2 THR 74 - HB3 PRO 33 lone 2 84 - 2 - QD2 LEU 126 - HB3 PRO 33 lone 1 69 - 1 - Peak 8429 from cnoeabs.peaks (0.78, 1.82, 30.27 ppm; 3.08 A): 8 out of 15 assignments used, quality = 0.93: QD2 LEU 95 + HB3 MET 68 OK 51 99 - 52 - 10095/2.9=14...(15) QG1 VAL 80 + HB VAL 80 OK 34 34 - 100 - 2.1=100 QD1 LEU 79 + HB3 MET 68 OK 33 100 - 33 - 8430/1.8=8, 9930/4.4=7...(5) QD1 LEU 79 + HB VAL 80 OK 29 65 - 44 - 2428/2.1=6, 6861/3.7=6...(23) QG1 VAL 80 + HB3 MET 68 OK 25 62 - 40 - 8430/1.8=8, 2.1/2427=5...(17) QD2 LEU 126 + HB VAL 80 OK 19 52 - 37 - 2428/2.1=6, 2421=5...(18) QG2 THR 74 + HB3 MET 68 OK 15 100 - 15 - 8430/1.8=3, 8443/3.6=3...(5) QG1 VAL 80 + HB2 ARG 141 OK 15 58 - 26 - 2.1/2427=4, 3.2/2407=2...(13) QD2 LEU 126 - HB3 MET 68 poor 9 89 - 10 - 8430/1.8=2, ~10257=2...(4) QD2 LEU 95 - HB VAL 80 poor 8 63 - 13 - 6861/3.7=2, 2428/2.1=2...(4) QD1 LEU 79 - HB2 ARG 141 lone 7 97 - 8 - QG2 THR 74 - HB VAL 80 lone 5 65 - 8 - 6861/3.7=1, 2428/2.1=1 QD2 LEU 95 - HB2 ARG 141 lone 5 95 - 5 - QD2 LEU 126 - HB2 ARG 141 lone 3 84 - 3 - QG2 THR 74 - HB2 ARG 141 lone 2 97 - 2 - Peak 8430 from cnoeabs.peaks (0.79, 1.66, 30.27 ppm; 3.11 A): 4 out of 5 assignments used, quality = 0.78: QD2 LEU 95 + HB2 MET 68 OK 46 89 - 52 - 10095/2.9=12, 8428/2.9=9...(14) QG1 VAL 80 + HB2 MET 68 OK 32 85 - 38 - 2.1/1962=4, 2421/1.8=4...(19) QD1 LEU 79 + HB2 MET 68 OK 31 98 - 31 - 9930/4.4=7, 10095/2.9=6...(7) QG2 THR 74 + HB2 MET 68 OK 14 100 - 14 - 8443/3.6=3, 8428/2.9=2...(4) QD2 LEU 126 - HB2 MET 68 lone 9 99 - 9 - 2.1/10257=2, 8429/1.8=1...(4) Peak 8433 from cnoeabs.peaks (0.22, 2.43, 31.81 ppm; 6.32 A): 2 out of 2 assignments used, quality = 0.63: QG2 VAL 71 + HG2 MET 68 OK 57 57 - 100 - 8435/1.8=49, 8439/3.7=49...(29) QG2 VAL 71 + HB3 PRO 33 OK 14 42 - 34 - 2.1/9913=7, 8435/1980=6...(9) Peak 8434 from cnoeabs.peaks (0.57, 2.54, 31.81 ppm; 5.50 A): 3 out of 5 assignments used, quality = 0.92: QG1 VAL 71 + HG3 MET 68 OK 85 85 - 99 - 2.1/8435=43, 8438/3.7=42...(32) QD1 LEU 66 + HG3 MET 68 OK 36 99 - 36 - 8434=9, 8425/3.3=8...(10) QD1 LEU 132 + HG3 MET 68 OK 21 62 - 33 - 8434=9, 8425/3.3=6...(9) QG2 ILE 58 - HG3 MET 68 poor 10 96 - 10 - 8425/3.3=3, 8351/10992=2 QD1 ILE 58 - HG3 MET 68 lone 7 68 - 10 - 8351/10992=5, ~8425=2, ~9913=1 Peak 8435 from cnoeabs.peaks (0.24, 2.54, 31.81 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 71 + HG3 MET 68 OK 99 100 - 99 - 8426/3.3=46, 8439/3.7=34...(32) Peak 8438 from cnoeabs.peaks (0.59, 3.84, 55.33 ppm; 3.80 A): 2 out of 10 assignments used, quality = 0.93: QG1 VAL 71 + HA MET 68 OK 89 96 - 92 - 2.1/8439=36, 8438=30...(28) QD1 LEU 132 + HA MET 68 OK 36 100 - 36 - 8467/3.6=5, 8434/3.7=4...(14) QG1 VAL 71 - HA ALA 104 OK 22 57 - 39 - 2.1/8506=8, 8508=5...(8) QD1 LEU 66 - HA MET 68 OK 19 77 - 25 - 8467/3.6=5, 8425/4.6=3...(9) QD1 LEU 132 - HA ALA 104 OK 15 63 - 24 - ~10979=3, 9583=3...(9) QG2 ILE 58 - HA MET 68 OK 13 85 - 15 - 10580/1957=2...(6) QD1 ILE 56 - HA MET 68 OK 11 89 - 13 - 3.1/8436=2, 8467/3.6=1...(5) QD1 ILE 56 - HA ALA 104 OK 10 50 - 20 - ~10604=4, ~9200=4...(5) QG2 ILE 58 - HA ALA 104 poor 8 47 - 17 - 8632/8645=2, 1565/2.1=2...(5) QD1 LEU 66 - HA ALA 104 poor 8 41 - 18 - 1907=3, 2.1/1915=2 Peak 8439 from cnoeabs.peaks (0.23, 3.84, 55.33 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.92: QG2 VAL 71 + HA MET 68 OK 90 98 - 92 - 8439=39, 2.1/8438=29...(24) QG2 VAL 71 + HA ALA 104 OK 22 59 - 38 - 8506=9, 2.1/8508=4...(12) Peak 8444 from cnoeabs.peaks (2.99, 3.84, 55.33 ppm; 4.65 A): 0 out of 8 assignments used, low quality = 0.41: HA VAL 82 - HA MET 68 OK 14 92 - 16 - 8444=6, ~6662=2...(4) HB3 ASN 128 - HA MET 68 OK 14 98 - 14 - 3.9/7596=6, 8444=5, 4341/1957=2 HB3 HIS 14 - HA MET 68 OK 11 100 - 11 - 11249/2.9=9 HB2 ASP 30 - HA MET 68 OK 10 77 - 14 - 3.8/8078=9, 8422/4.6=1 HA VAL 82 - HA ALA 104 poor 8 52 - 15 - ~11566=4, 8815/10158=4...(5) HB2 ASP 30 - HA ALA 104 poor 4 41 - 10 - 3.8/8078=6, 9229/3.6=3 HB3 ASN 128 - HA ALA 104 lone 3 59 - 5 - 3.9/7596=2 HB3 HIS 14 - HA ALA 104 lone 2 63 - 3 - Peak 8445 from cnoeabs.peaks (3.04, 2.54, 31.81 ppm; 5.95 A): 2 out of 3 assignments used, quality = 0.99: HB2 PHE 67 + HG3 MET 68 OK 95 99 - 96 - 4.4/1983=39, 2.6/8415=29...(19) HB3 ASP 65 + HG3 MET 68 OK 84 99 - 85 - ~11529=38, ~11481=28...(16) HB2 HIS 10 - HG3 MET 68 poor 9 68 - 13 - 8450/3.3=2, 11480/2.9=2...(6) Peak 8446 from cnoeabs.peaks (3.05, 2.43, 31.81 ppm; 4.69 A): 3 out of 12 assignments used, quality = 0.96: HB2 PHE 67 + HG2 MET 68 OK 82 96 - 85 - 2.6/8417=25, 8450/3.3=18...(16) HB3 ASP 65 + HG2 MET 68 OK 67 96 - 70 - ~11529=25, ~11481=19...(14) HE2 LYS 34 + HB3 PRO 33 OK 41 75 - 54 - 3.7/10607=7, 6170/4.3=6...(21) HE3 LYS 34 - HB3 PRO 33 OK 33 62 - 53 - 3.7/10607=7, 6170/4.3=6...(21) HB2 PHE 67 - HB3 PRO 33 OK 17 78 - 22 - 4.4/1975=5, 2.6/8417=4...(9) HE2 LYS 34 - HG2 MET 68 OK 16 94 - 17 - 6666/4.4=5, 8450/3.3=2...(7) HB2 HIS 10 - HG2 MET 68 OK 11 99 - 11 - 4.7/10971=2, 8450/3.3=2...(7) HE3 LYS 34 - HG2 MET 68 lone 8 81 - 10 - 3.7/10607=2, ~8450=1...(4) HB2 TYR 27 - HB3 PRO 33 poor 8 58 - 13 - ~11368=5, 11367/3.0=4 HB3 ASP 65 - HB3 PRO 33 lone 7 78 - 9 - 8383/11478=1 HB2 TYR 27 - HG2 MET 68 lone 5 77 - 7 - ~8422=3, ~8422=2 HB2 HIS 10 - HB3 PRO 33 lone 5 81 - 6 - 4.7/10971=3 Peak 8447 from cnoeabs.peaks (2.94, 2.43, 31.81 ppm; 6.80 A): 4 out of 26 assignments used, quality = 0.96: HB3 PHE 67 + HG2 MET 68 OK 65 68 - 96 - 2.6/8417=32, 4.4/1975=28...(14) HB3 ASN 130 + HB3 PRO 33 OK 59 84 - 71 - 9542=25, ~9541=20...(8) HE3 LYS 61 + HB3 PRO 33 OK 47 83 - 57 - 9787/3.0=19, ~9787=15...(14) HE2 LYS 61 + HB3 PRO 33 OK 45 83 - 55 - ~9787=16, 9787/3.0=15...(14) HB2 TYR 115 - HB3 PRO 33 OK 32 54 - 59 - ~10809=14, 10215/3.0=14...(7) HB2 TYR 115 - HG2 MET 68 OK 24 72 - 33 - ~8419=9, ~9873=9...(7) HE3 LYS 48 - HG2 MET 68 OK 19 89 - 21 - ~8422=2, 6667/4.4=2...(8) HE3 LYS 93 - HG2 MET 68 OK 15 100 - 14 - ~8422=1 HE2 LYS 48 - HG2 MET 68 OK 14 72 - 19 - 6667/4.4=2, ~1985=1...(6) HB3 PHE 67 - HB3 PRO 33 OK 14 50 - 27 - 4.4/1975=9, 2.6/8417=5...(6) HE2 LYS 93 - HG2 MET 68 poor 10 77 - 12 - 6667/4.4=1 HB3 ASN 130 - HG2 MET 68 lone 9 100 - 9 - 9542=2, 1.8/9539=2, 9544/468=1 HE3 LYS 61 - HG2 MET 68 lone 8 100 - 8 - 9787/428=1, 9764/45=1 HE2 LYS 61 - HG2 MET 68 lone 8 100 - 8 - 9787/428=1 HE3 LYS 93 - HB3 PRO 33 lone 7 84 - 8 - 11335/10894=2 HB2 PHE 106 - HG2 MET 68 lone 6 68 - 9 - ~8421=2, 6667/4.4=2, ~8421=1 HE3 LYS 85 - HG2 MET 68 lone 6 96 - 6 - 6667/4.4=1 HE2 LYS 85 - HG2 MET 68 lone 5 81 - 6 - 6667/4.4=1 HB2 HIS 14 - HB3 PRO 33 lone 4 54 - 8 - ~9787=2, 10670/45=1 HB2 PHE 106 - HB3 PRO 33 lone 3 50 - 7 - ~9230=2, ~9230=2 HE3 LYS 48 - HB3 PRO 33 lone 3 69 - 5 - HB2 HIS 14 - HG2 MET 68 lone 3 72 - 4 - 10670/45=1 HE3 LYS 85 - HB3 PRO 33 lone 3 78 - 4 - HE2 LYS 93 - HB3 PRO 33 lone 3 58 - 5 - HE2 LYS 48 - HB3 PRO 33 lone 3 54 - 5 - HE2 LYS 85 - HB3 PRO 33 lone 2 62 - 3 - Peak 8450 from cnoeabs.peaks (3.04, 1.91, 15.10 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.88: HB2 PHE 67 + QE MET 68 OK 82 100 - 82 - 2.6/8414=26, 4.4/1991=24...(16) HB3 ASP 65 + QE MET 68 OK 36 100 - 36 - 9887/4.2=9, 8445/3.3=8...(8) HE2 LYS 34 - QE MET 68 poor 9 72 - 12 - 6666/5.9=3, 1.8/8450=2...(4) HB2 HIS 10 - QE MET 68 lone 7 85 - 8 - 1.8/8450=2, 8445/3.3=1...(5) Peak 8451 from cnoeabs.peaks (3.68, 1.91, 15.10 ppm; 6.25 A): 0 out of 1 assignment used, low quality = 0.30: HA ILE 83 - QE MET 68 OK 30 85 - 35 - 9061/8420=7, 3.6/6927=3...(16) Peak 8454 from cnoeabs.peaks (8.57, 1.91, 15.10 ppm; 3.59 A): 3 out of 3 assignments used, quality = 0.85: H LEU 72 + QE MET 68 OK 78 100 - 78 - 4.3/8426=20, 4.2/8425=17...(22) H ASP 40 + QE MET 68 OK 24 99 - 25 - 2097/8426=4, 9874/4.6=4...(9) H LYS 85 + QE MET 68 OK 12 92 - 13 - 2097/8426=2, 3.1/6927=1 Peak 8455 from cnoeabs.peaks (8.30, 1.91, 15.10 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.88: H VAL 71 + QE MET 68 OK 84 100 - 84 - 3.9/8426=29, 4.0/8425=23...(18) H ASN 128 + QE MET 68 OK 14 96 - 15 - 7596/4.6=4, 4.7/1992=2...(5) H LEU 64 + QE MET 68 OK 11 89 - 13 - 2092/8426=3, 2098/8425=2...(5) H THR 18 - QE MET 68 lone 5 100 - 5 - H THR 99 - QE MET 68 lone 2 68 - 3 - Peak 8457 from cnoeabs.peaks (6.93, 1.17, 23.77 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.61: QD TYR 112 + QD1 LEU 69 OK 52 100 - 52 - 8459/2.1=20, 3.7/11536=9...(12) QD PHE 23 + QD1 LEU 69 OK 19 92 - 20 - 8459/2.1=8, 9398/10228=2...(6) Peak 8458 from cnoeabs.peaks (6.53, 1.17, 23.77 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.48: HZ3 TRP 88 + QD1 LEU 69 OK 48 98 - 49 - 2.4/9888=26, 2.5/11063=8...(9) Peak 8459 from cnoeabs.peaks (6.94, 1.01, 26.03 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.66: QD TYR 112 + QD2 LEU 69 OK 56 94 - 59 - 8457/2.1=26, 4.5/9919=12...(13) QD PHE 23 + QD2 LEU 69 OK 23 100 - 23 - 8457/2.1=9, 8488/4.8=3...(7) HD21 ASN 139 - QD2 LEU 69 lone 2 77 - 3 - Peak 8460 from cnoeabs.peaks (6.91, 1.86, 26.80 ppm; 4.76 A): 0 out of 3 assignments used, low quality = 0.45: QD TYR 112 - HG LEU 69 OK 28 62 - 46 - 8457/2.1=21, 8459/2.1=9...(8) H LEU 29 - HG LEU 69 OK 23 99 - 23 - 6118=7, 3.6/307=5...(5) HE21 GLN 22 - HG LEU 69 lone 2 68 - 3 - Peak 8461 from cnoeabs.peaks (3.19, 1.17, 23.77 ppm; 6.22 A): 1 out of 6 assignments used, quality = 0.96: HA VAL 73 + QD1 LEU 69 OK 96 100 - 96 - 3.0/9922=47, 3.2/8595=17...(32) HD3 ARG 144 - QD1 LEU 69 OK 17 100 - 17 - 6764/9922=2, 4794/8457=2 HD2 ARG 144 - QD1 LEU 69 OK 16 99 - 16 - 6764/9922=2...(3) HD3 ARG 55 - QD1 LEU 69 OK 12 100 - 12 - 6764/9922=2, 8985/9895=1 HD2 ARG 55 - QD1 LEU 69 OK 10 94 - 11 - 6764/9922=1 HD2 ARG 141 - QD1 LEU 69 lone 4 68 - 6 - Peak 8462 from cnoeabs.peaks (3.83, 1.01, 26.03 ppm; 4.06 A): 7 out of 7 assignments used, quality = 0.95: HA LEU 66 + QD2 LEU 69 OK 68 100 - 68 - 8390=22, 1879/5.0=12...(16) HB2 SER 100 + QD2 LEU 69 OK 44 96 - 46 - 8465/2.1=15, 1.8/2045=5...(16) HD2 PRO 118 + QD2 LEU 69 OK 31 99 - 31 - 4.8/7455=7, 8465/2.1=4...(11) HA THR 110 + QD2 LEU 69 OK 26 77 - 34 - 8465/2.1=8, 4.9/10176=6...(12) HA GLN 133 + QD2 LEU 69 OK 23 92 - 25 - 8465/2.1=4, 10311/3.2=3...(9) HA3 GLY 50 + QD2 LEU 69 OK 17 99 - 17 - 8465/2.1=6, 2010/3.2=2...(7) HA ALA 104 + QD2 LEU 69 OK 13 62 - 22 - ~9197=4, ~9884=3...(9) Peak 8463 from cnoeabs.peaks (3.23, 1.01, 26.03 ppm; 5.52 A): 6 out of 6 assignments used, quality = 0.88: HG3 MET 46 + QD2 LEU 69 OK 37 77 - 48 - 9929/2.1=12, 3.0/10497=9...(10) HD2 ARG 140 + QD2 LEU 69 OK 36 99 - 36 - 9929/2.1=9, ~9929=7...(10) HB3 TYR 117 + QD2 LEU 69 OK 34 89 - 39 - 3.9/7455=14, 9407/8459=7...(9) HD3 ARG 140 + QD2 LEU 69 OK 28 81 - 34 - 9929/2.1=8, ~9929=7...(10) HD3 ARG 89 + QD2 LEU 69 OK 28 94 - 30 - 9929/2.1=7, ~9893=5...(12) HD3 ARG 124 + QD2 LEU 69 OK 14 85 - 16 - 9929/2.1=5, 8726/8478=4...(4) Peak 8464 from cnoeabs.peaks (3.37, 1.01, 26.03 ppm; 5.75 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8465 from cnoeabs.peaks (3.82, 1.17, 23.77 ppm; 4.64 A): 4 out of 6 assignments used, quality = 0.93: HA LEU 66 + QD1 LEU 69 OK 74 99 - 75 - 8390/2.1=20, 4.0/8474=18...(19) HB2 SER 100 + QD1 LEU 69 OK 41 81 - 51 - 8462/2.1=13, 1.8/2037=7...(16) HD2 PRO 118 + QD1 LEU 69 OK 34 89 - 38 - 2.3/9892=7, 8462/2.1=6...(10) HA GLN 133 + QD1 LEU 69 OK 29 72 - 40 - 8462/2.1=4, 4.9/9650=4...(14) HA THR 110 - QD1 LEU 69 OK 25 94 - 27 - 8462/2.1=10, ~7307=3...(9) HA3 GLY 50 - QD1 LEU 69 OK 18 100 - 18 - 8462/2.1=5, 2010/3.2=2...(6) Peak 8468 from cnoeabs.peaks (0.78, 4.00, 58.18 ppm; 3.21 A): 5 out of 10 assignments used, quality = 0.80: QD1 LEU 79 + HA LEU 69 OK 37 96 - 39 - 9930/2.9=11, 11558/3.0=4...(10) QD2 LEU 95 + HA LEU 69 OK 34 100 - 34 - 9930/2.9=8, 2.1/9066=4...(12) QD2 LEU 72 + HA LEU 69 OK 31 68 - 46 - 5.0/2007=7, 3.2/2009=6...(20) QD2 LEU 126 + HA LEU 69 OK 18 62 - 29 - ~11377=5, ~11378=4...(10) QG2 THR 74 + HA LEU 69 OK 14 92 - 15 - 8466/2.9=3, 8471/3.7=2...(5) QD2 LEU 95 - HA GLU 122 lone 9 97 - 10 - ~9460=3, 9936/3.0=1...(4) QD1 LEU 79 - HA GLU 122 lone 7 91 - 7 - QG2 THR 74 - HA GLU 122 lone 4 86 - 5 - 8618/4.9=2 QD2 LEU 72 - HA GLU 122 lone 4 62 - 6 - 5.0/2007=1 QD2 LEU 126 - HA GLU 122 lone 2 57 - 3 - 8618/4.9=1 Peak 8469 from cnoeabs.peaks (0.79, 1.38, 41.39 ppm; 4.19 A): 3 out of 5 assignments used, quality = 0.94: QD2 LEU 126 + HB2 LEU 69 OK 68 100 - 68 - ~11377=12, ~11376=12...(20) QD1 LEU 79 + HB2 LEU 69 OK 67 96 - 69 - 9930/4.0=14, ~8472=10...(17) QD2 LEU 95 + HB2 LEU 69 OK 42 85 - 49 - 9930/4.0=10, ~8470=7...(14) QG2 THR 74 - HB2 LEU 69 OK 21 99 - 21 - 9930/4.0=3, ~9928=3...(7) QG1 VAL 80 - HB2 LEU 69 OK 14 89 - 16 - ~10963=4, 8470/1.8=2...(5) Peak 8470 from cnoeabs.peaks (0.80, 1.90, 41.39 ppm; 4.24 A): 4 out of 4 assignments used, quality = 0.81: QD2 LEU 126 + HB3 LEU 69 OK 43 68 - 63 - 2.1/11377=17, ~11376=12...(18) HG LEU 42 + HB3 LEU 69 OK 40 81 - 49 - ~8143=8, ~9895=8...(12) QD1 LEU 95 + HB3 LEU 69 OK 35 77 - 45 - ~8469=5, ~8468=5...(17) QG1 VAL 80 + HB3 LEU 69 OK 15 92 - 16 - ~10963=4, 9953/3.0=2...(6) Peak 8471 from cnoeabs.peaks (0.78, 1.86, 26.80 ppm; 4.02 A): 5 out of 5 assignments used, quality = 0.94: QD1 LEU 79 + HG LEU 69 OK 56 98 - 57 - ~8478=12, 9930/4.6=11...(12) QD2 LEU 126 + HG LEU 69 OK 46 68 - 68 - ~11376=15, ~10917=9...(19) QD2 LEU 72 + HG LEU 69 OK 44 62 - 70 - ~2151=8, ~8473=8...(24) QD2 LEU 95 + HG LEU 69 OK 43 100 - 43 - 9930/4.6=8, 8468/3.7=7...(13) QG2 THR 74 + HG LEU 69 OK 23 94 - 24 - ~9928=4, 8466/4.6=3...(9) Peak 8472 from cnoeabs.peaks (0.63, 1.86, 26.80 ppm; 5.02 A): 3 out of 3 assignments used, quality = 0.95: QD1 LEU 126 + HG LEU 69 OK 69 85 - 81 - 11376/2.1=22...(21) QD2 LEU 79 + HG LEU 69 OK 68 92 - 74 - 8478/2.1=20...(16) QD2 LEU 64 + HG LEU 69 OK 53 99 - 53 - 10624/2.1=17...(7) Peak 8473 from cnoeabs.peaks (0.75, 1.17, 23.77 ppm; 2.57 A): 5 out of 5 assignments used, quality = 0.95: QG2 VAL 73 + QD1 LEU 69 OK 59 100 - 59 - 8595=17, 3.9/9922=7...(17) QD1 LEU 72 + QD1 LEU 69 OK 52 100 - 52 - 2151=12, 2.1/2143=6...(20) QD2 LEU 72 + QD1 LEU 69 OK 47 94 - 49 - 2143=8, 2.1/2151=7...(20) QD1 LEU 108 + QD1 LEU 69 OK 36 92 - 39 - ~8477=10, 3.2/9894=7...(8) QD1 ILE 136 + QD1 LEU 69 OK 29 100 - 29 - 8477/2.1=3, 2.1/9934=3...(9) Peak 8477 from cnoeabs.peaks (0.75, 1.01, 26.03 ppm; 3.05 A): 5 out of 5 assignments used, quality = 0.93: QG2 VAL 73 + QD2 LEU 69 OK 52 94 - 55 - 8595/2.1=11, 8597/2.1=7...(22) QD1 LEU 72 + QD2 LEU 69 OK 45 89 - 51 - 8473/2.1=9, 3.1/2049=5...(25) QD1 LEU 108 + QD2 LEU 69 OK 43 100 - 43 - 3.8/10224=10, 8473/2.1=8...(12) QD2 LEU 72 + QD2 LEU 69 OK 36 72 - 50 - 8473/2.1=7, 3.2/2049=5...(25) QD1 ILE 136 + QD2 LEU 69 OK 28 92 - 31 - 8473/2.1=5, 2.5/2047=3...(12) Peak 8478 from cnoeabs.peaks (0.62, 1.01, 26.03 ppm; 3.12 A): 3 out of 3 assignments used, quality = 0.70: QD2 LEU 79 + QD2 LEU 69 OK 42 100 - 42 - 10917/2.1=7, 8472/2.1=5...(16) QD2 LEU 64 + QD2 LEU 69 OK 31 89 - 35 - 10624=9, 10917/2.1=7...(11) QD1 LEU 126 + QD2 LEU 69 OK 25 62 - 39 - 11376/2.1=7, 8472/2.1=4...(15) Peak 8479 from cnoeabs.peaks (1.00, 4.33, 62.26 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.96: QD1 LEU 116 + HA TYR 70 OK 68 92 - 74 - 2.1/9375=13, 9399/2.9=12...(17) QD2 LEU 116 + HA TYR 70 OK 57 81 - 70 - 2.1/8479=17, 6709/2.9=13...(19) QD2 LEU 69 + HA TYR 70 OK 46 77 - 59 - 2.1/9932=18, 6709/2.9=14...(13) HG12 ILE 136 + HA TYR 70 OK 42 94 - 45 - 8479=11, 2.1/8480=8...(13) Peak 8480 from cnoeabs.peaks (0.79, 4.33, 62.26 ppm; 4.27 A): 5 out of 5 assignments used, quality = 0.83: QG1 VAL 80 + HA TYR 70 OK 41 89 - 46 - 8761=25, 8757/3.0=5...(13) QD1 LEU 79 + HA TYR 70 OK 39 96 - 40 - 10943/2.9=8, 8719/8491=5...(16) QG2 THR 74 + HA TYR 70 OK 33 99 - 34 - 4.0/6771=16, 8496/4.9=5...(10) QD2 LEU 95 + HA TYR 70 OK 17 85 - 20 - 10943/2.9=5, 8468/4.9=3...(7) QD2 LEU 126 + HA TYR 70 OK 16 100 - 16 - 8761=5, 6782/6771=3...(4) Peak 8484 from cnoeabs.peaks (0.99, 3.15, 38.83 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.89: QD1 LEU 116 + HB2 TYR 70 OK 69 100 - 70 - 9373=18, 2.1/9376=16...(11) HB2 LEU 39 + HB2 TYR 70 OK 43 77 - 56 - 8485/1.8=10, 3.2/862=7...(18) HG12 ILE 136 + HB2 TYR 70 OK 37 100 - 37 - 8479/3.0=10, 8485/1.8=9...(8) Peak 8485 from cnoeabs.peaks (0.99, 2.73, 38.83 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.90: QD1 LEU 116 + HB3 TYR 70 OK 69 100 - 69 - 8484/1.8=19, 9399/3.6=14...(14) HB2 LEU 39 + HB3 TYR 70 OK 44 77 - 57 - 8484/1.8=12, 3.3/6258=9...(14) HG12 ILE 136 + HB3 TYR 70 OK 40 100 - 40 - 8479/3.0=11, 8484/1.8=10...(7) Peak 8486 from cnoeabs.peaks (4.16, 6.70, 117.94 ppm; 5.38 A): 4 out of 11 assignments used, quality = 0.50: HA PHE 38 + QE TYR 70 OK 18 81 - 22 - 4.9/4694=5, 789/4.5=5...(6) HB3 SER 44 + QE TYR 70 OK 17 100 - 17 - 10728=8, 1.8/10728=7 HB2 SER 44 + QE TYR 70 OK 17 100 - 17 - 10728=8, 1.8/10728=7 HA GLU 120 + QE TYR 70 OK 12 98 - 12 - 4007/4.5=4, ~4606=3, ~5606=3 HA TRP 88 - QE TYR 70 lone 4 77 - 5 - 2821/6.3=1 HA LEU 64 - QE TYR 70 lone 3 72 - 5 - 1813/9898=1, 8509/4698=1 HG1 THR 74 - QE TYR 70 lone 3 77 - 4 - ~9933=2, 8509/4698=1 HA LYS 76 - QE TYR 70 lone 2 96 - 2 - HA LEU 126 - QE TYR 70 lone 1 89 - 2 - HA3 GLY 125 - QE TYR 70 lone 1 99 - 1 - HA GLU 131 - QE TYR 70 lone 1 62 - 1 - Peak 8487 from cnoeabs.peaks (3.17, 6.70, 117.94 ppm; 5.62 A): 0 out of 3 assignments used, low quality = 0.00: HD2 ARG 55 - QE TYR 70 lone 1 89 - 2 - HD2 ARG 144 - QE TYR 70 lone 1 77 - 1 - HD3 ARG 55 - QE TYR 70 lone 1 62 - 1 - Peak 8491 from cnoeabs.peaks (6.92, 4.33, 62.26 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.47: QD TYR 112 + HA TYR 70 OK 39 68 - 58 - 2.2/8492=22, 8488/2.9=12...(11) H LEU 29 + HA TYR 70 OK 12 98 - 12 - 4.3/9937=2, 9405/9389=2...(4) HE21 GLN 22 - HA TYR 70 lone 5 62 - 8 - ~11294=5, 8549/2060=1 Peak 8492 from cnoeabs.peaks (6.77, 4.33, 62.26 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.51: QE TYR 112 + HA TYR 70 OK 44 77 - 58 - 2.2/8491=30, ~8488=14...(8) HZ3 TRP 17 + HA TYR 70 OK 13 100 - 13 - 11539/3.0=4, 5.9/11251=4...(4) Peak 8496 from cnoeabs.peaks (0.78, 2.97, 66.88 ppm; 3.79 A): 5 out of 5 assignments used, quality = 0.87: QG2 THR 74 + HA VAL 71 OK 55 94 - 58 - 4.0/2083=16, 4.3/6786=11...(12) QD2 LEU 72 + HA VAL 71 OK 45 62 - 72 - ~11549=11, 9955=9...(22) QD1 LEU 79 + HA VAL 71 OK 28 98 - 29 - 4.0/8501=4, ~10593=3...(11) QD2 LEU 95 + HA VAL 71 OK 20 100 - 20 - 8516/3.2=2, 2109/4.9=2...(6) QD2 LEU 126 + HA VAL 71 OK 11 68 - 16 - ~10593=3, 6782/2083=3...(7) Peak 8501 from cnoeabs.peaks (3.14, 2.97, 66.88 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.97: HA LEU 39 + HA VAL 71 OK 73 100 - 74 - 3.8/10758=15...(13) HB2 TYR 70 + HA VAL 71 OK 71 89 - 79 - ~8523=42, ~6725=26...(9) HA VAL 80 + HA VAL 71 OK 61 99 - 62 - 8505/3.2=18, ~8755=11...(18) HA LEU 79 - HA VAL 71 OK 16 62 - 25 - 4.0/8496=9, 2054/4.9=6...(4) HB2 TRP 17 - HA VAL 71 OK 10 62 - 17 - 2054/4.9=7, 4.6/2077=4...(4) HB3 PHE 106 - HA VAL 71 lone 5 57 - 8 - 4.7/9228=2, 8505/3.2=1 Peak 8502 from cnoeabs.peaks (3.84, 2.97, 66.88 ppm; 4.47 A): 3 out of 7 assignments used, quality = 1.00: HA LEU 72 + HA VAL 71 OK 96 98 - 98 - 4.9=76, ~2097=18...(26) HA MET 68 + HA VAL 71 OK 94 100 - 94 - 8439/3.2=37, 8438/3.2=34...(26) HB2 SER 127 + HA VAL 71 OK 50 100 - 50 - 8506/3.2=8, 4323/2.9=8...(13) HA ALA 104 - HA VAL 71 OK 45 99 - 45 - 3.6/9229=10, 8439/3.2=8...(13) HA GLN 133 - HA VAL 71 OK 27 81 - 33 - 9620/3.2=6, 8506/3.2=5...(10) HD2 PRO 118 - HA VAL 71 OK 12 62 - 20 - ~9894=4, 8508/3.2=4...(7) HB2 SER 100 - HA VAL 71 lone 7 72 - 9 - 8506/3.2=2, 6719/2.9=1 Peak 8503 from cnoeabs.peaks (4.18, 2.97, 66.88 ppm; 3.31 A): 4 out of 6 assignments used, quality = 0.64: HA PHE 38 + HA VAL 71 OK 25 72 - 34 - 8507/3.2=7, ~8525=7...(9) HG1 THR 74 + HA VAL 71 OK 24 77 - 31 - 5.1/2083=9, 3.0/8496=7...(7) HA LEU 64 + HA VAL 71 OK 21 81 - 26 - 8507/3.2=5, 3.0/2077=4...(11) HA PHE 67 + HA VAL 71 OK 20 77 - 26 - 6718/2.9=10, ~9904=6...(5) HA TRP 88 - HA VAL 71 lone 7 77 - 10 - 8507/3.2=2, 8904/8901=1 HA CYS 121 - HA VAL 71 lone 6 99 - 6 - 6718/2.9=2, 10314/2083=1 Peak 8504 from cnoeabs.peaks (2.73, 0.24, 22.24 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.94: HB3 TYR 70 + QG2 VAL 71 OK 79 100 - 79 - 2.6/8523=41, 4.4/6730=31...(9) HB2 PHE 38 + QG2 VAL 71 OK 72 100 - 72 - 2.6/8525=36, ~8528=18...(11) HB3 GLU 120 - QG2 VAL 71 OK 20 100 - 20 - 3.0/9971=3, ~8512=3...(8) HB3 MET 46 - QG2 VAL 71 OK 14 96 - 15 - 10497/11092=3...(6) HB2 ASN 84 - QG2 VAL 71 lone 8 81 - 10 - 4.7/2097=3, 2560/4.3=2 HB2 ASN 96 - QG2 VAL 71 lone 8 81 - 9 - 1.8/8505=2, 6725/3.9=2 Peak 8505 from cnoeabs.peaks (3.13, 0.24, 22.24 ppm; 4.60 A): 5 out of 6 assignments used, quality = 0.75: HA VAL 80 + QG2 VAL 71 OK 33 98 - 34 - 8501/3.2=8, 9945/2.1=7...(9) HA LEU 39 + QG2 VAL 71 OK 33 77 - 43 - 3.6/2097=11, 4.9/8507=10...(10) HD3 ARG 145 + QG2 VAL 71 OK 20 72 - 27 - 3.4/9900=4, 3.4/2094=3...(13) HD2 ARG 145 + QG2 VAL 71 OK 18 68 - 27 - 3.4/9900=4, 3.4/2094=3...(13) HA LEU 79 + QG2 VAL 71 OK 15 96 - 15 - 8501/3.2=7, 4.0/8516=3...(4) HB3 PHE 106 - QG2 VAL 71 lone 3 94 - 3 - Peak 8506 from cnoeabs.peaks (3.84, 0.24, 22.24 ppm; 3.11 A): 3 out of 8 assignments used, quality = 0.95: HA MET 68 + QG2 VAL 71 OK 81 99 - 81 - 8439=25, 8438/2.1=21...(21) HA LEU 72 + QG2 VAL 71 OK 62 81 - 76 - 2.9/2097=21, 4.9/2080=12...(23) HA ALA 104 + QG2 VAL 71 OK 29 100 - 29 - 8439=6, 8508/2.1=3...(8) HB2 SER 127 - QG2 VAL 71 OK 26 98 - 26 - 8508/2.1=3, 4323/3.9=3...(11) HA GLN 133 - QG2 VAL 71 OK 22 98 - 23 - 9620/2.1=4, 9613/2.1=3...(6) HA LEU 66 - QG2 VAL 71 OK 21 68 - 31 - 3.6/9904=8, 4.0/2096=4...(12) HD2 PRO 118 - QG2 VAL 71 OK 14 89 - 16 - 8508/2.1=3, ~9894=2...(6) HB2 SER 100 - QG2 VAL 71 lone 5 94 - 5 - Peak 8507 from cnoeabs.peaks (4.18, 0.24, 22.24 ppm; 3.67 A): 4 out of 6 assignments used, quality = 0.83: HA PHE 38 + QG2 VAL 71 OK 54 94 - 58 - 3.1/8525=25, ~8528=11...(9) HA LEU 64 + QG2 VAL 71 OK 35 98 - 36 - 3.7/8518=7, 3.0/2092=6...(10) HG1 THR 74 + QG2 VAL 71 OK 34 96 - 35 - 3.0/10999=6, 8503/3.2=6...(10) HA TRP 88 + QG2 VAL 71 OK 15 96 - 15 - 4.6/8522=3, 8503/3.2=2...(5) HA GLU 120 - QG2 VAL 71 lone 7 72 - 9 - 3.0/8504=2, 3.8/9971=2...(4) HA CYS 121 - QG2 VAL 71 lone 5 85 - 5 - 8503/3.2=2, 6718/3.9=1 Peak 8508 from cnoeabs.peaks (3.84, 0.58, 20.44 ppm; 3.24 A): 2 out of 7 assignments used, quality = 0.97: HA MET 68 + QG1 VAL 71 OK 84 100 - 84 - 8439/2.1=27, 8438=23...(25) HA LEU 72 + QG1 VAL 71 OK 78 98 - 80 - 2.9/2103=22, ~2097=12...(24) HB2 SER 127 - QG1 VAL 71 OK 32 100 - 32 - 8506/2.1=7, 1.8/8510=4...(11) HA ALA 104 - QG1 VAL 71 OK 30 99 - 30 - 8506/2.1=6, 2085/2.1=3...(8) HA GLN 133 - QG1 VAL 71 OK 23 81 - 29 - 8506/2.1=4, 2.8/7683=4...(9) HD2 PRO 118 - QG1 VAL 71 OK 10 62 - 17 - 2.3/9894=4, 8506/2.1=2...(4) HB2 SER 100 - QG1 VAL 71 lone 5 72 - 7 - 8506/2.1=1 Peak 8509 from cnoeabs.peaks (4.17, 0.58, 20.44 ppm; 4.28 A): 6 out of 9 assignments used, quality = 0.92: HA PHE 38 + QG1 VAL 71 OK 61 99 - 62 - 3.1/8528=24, ~8525=19...(7) HG1 THR 74 + QG1 VAL 71 OK 42 98 - 43 - ~10999=9, 8507/2.1=6...(12) HA LEU 64 + QG1 VAL 71 OK 37 96 - 39 - 8507/2.1=9, 3.0/2098=8...(10) HA LYS 76 + QG1 VAL 71 OK 22 72 - 31 - 3.0/8529=21, ~8524=8 HA GLU 120 + QG1 VAL 71 OK 14 100 - 14 - 3.8/8512=4, 8507/2.1=2...(5) HA TRP 88 + QG1 VAL 71 OK 14 98 - 14 - 8507/2.1=3, 4.6/9907=2...(5) HB3 SER 44 - QG1 VAL 71 lone 6 98 - 6 - 10502/4812=1 HB2 SER 44 - QG1 VAL 71 lone 6 98 - 6 - HA3 GLY 125 - QG1 VAL 71 lone 3 81 - 4 - ~2083=1, ~7563=1 Peak 8510 from cnoeabs.peaks (3.97, 0.58, 20.44 ppm; 5.17 A): 2 out of 5 assignments used, quality = 0.88: HA GLU 75 + QG1 VAL 71 OK 82 99 - 83 - 3.0/8638=30, 3.9/8512=28...(14) HB3 SER 127 + QG1 VAL 71 OK 34 68 - 51 - ~8506=9, 1.8/8508=6...(17) HB3 SER 103 - QG1 VAL 71 lone 8 81 - 10 - 4.6/9906=6 HA3 GLY 143 - QG1 VAL 71 lone 8 100 - 8 - 8421/8425=1, 2218/8638=1 HA PHE 106 - QG1 VAL 71 lone 3 62 - 5 - Peak 8512 from cnoeabs.peaks (2.28, 0.58, 20.44 ppm; 3.85 A): 3 out of 8 assignments used, quality = 0.70: HG3 GLU 75 + QG1 VAL 71 OK 62 92 - 68 - 3.0/8638=19, ~9972=15...(10) HB3 MET 113 + QG1 VAL 71 OK 11 85 - 13 - 1.8/8513=4, 4.2/9329=3...(4) HG3 GLU 81 + QG1 VAL 71 OK 11 96 - 11 - 9967/4.2=5, ~8770=2 HG2 GLN 62 - QG1 VAL 71 lone 9 94 - 10 - 2.9/8347=2, 4.9/8337=2 HG2 GLU 131 - QG1 VAL 71 lone 9 94 - 9 - 9568/3.2=4, 10395/4.0=2 HG3 GLN 62 - QG1 VAL 71 lone 8 85 - 10 - 2.9/8347=2, 4.9/8337=2 HG3 GLU 142 - QG1 VAL 71 lone 7 94 - 7 - 4861/8638=1, 3.0/9894=1 HG2 GLU 90 - QG1 VAL 71 lone 2 92 - 2 - Peak 8513 from cnoeabs.peaks (2.11, 0.58, 20.44 ppm; 4.81 A): 3 out of 6 assignments used, quality = 0.87: HB2 GLU 75 + QG1 VAL 71 OK 71 81 - 87 - 1.8/8638=33, 3.0/8512=30...(16) HB VAL 73 + QG1 VAL 71 OK 48 89 - 54 - 4.0/9940=23, 2.1/8515=9...(16) HG2 PRO 33 + QG1 VAL 71 OK 13 85 - 16 - 2.3/9913=4, ~8433=4...(5) HB3 GLU 142 - QG1 VAL 71 lone 5 72 - 7 - 3.0/8512=2, 4847/8638=1, ~9568=1 HB3 GLN 25 - QG1 VAL 71 lone 5 68 - 8 - 4.4/9907=4, 1.8/8513=1 HB VAL 53 - QG1 VAL 71 lone 3 77 - 4 - Peak 8514 from cnoeabs.peaks (1.91, 0.58, 20.44 ppm; 3.64 A): 2 out of 16 assignments used, quality = 0.97: QE MET 68 + QG1 VAL 71 OK 89 98 - 91 - 8426/2.1=36, 8425=35...(25) HB ILE 136 + QG1 VAL 71 OK 73 100 - 73 - 2.5/9685=14, 2.1/9683=10...(32) HB3 LEU 132 - QG1 VAL 71 OK 36 77 - 47 - 1.8/4484=6, 3.0/4500=5...(17) HB3 LEU 69 - QG1 VAL 71 OK 26 94 - 27 - 4.6/9907=6, 4.0/8467=6...(7) HG13 ILE 83 - QG1 VAL 71 OK 20 100 - 20 - 2.1/10004=4, 8520/2.1=2...(6) HB2 PRO 118 - QG1 VAL 71 OK 18 89 - 21 - 2.3/9894=5, 3.0/8508=3 HB2 MET 59 - QG1 VAL 71 OK 16 94 - 17 - 4.8/8320=4, 1.8/9901=3...(6) HB2 LYS 86 - QG1 VAL 71 OK 13 99 - 13 - 1.8/8513=3, 8520/2.1=2 HB3 ARG 89 - QG1 VAL 71 poor 10 77 - 12 - 2.8/2100=1, ~8520=1 HB2 ARG 140 - QG1 VAL 71 poor 9 62 - 14 - 8520/2.1=2, ~8520=2, 4.0/9906=1 HB2 LYS 24 - QG1 VAL 71 lone 7 77 - 10 - 9902/4.0=1, 9939/2.1=1 HB2 GLN 62 - QG1 VAL 71 poor 7 68 - 11 - 4.0/8337=2, 2.9/8512=2...(5) HB ILE 101 - QG1 VAL 71 lone 7 81 - 8 - HG3 PRO 12 - QG1 VAL 71 lone 4 81 - 5 - HB3 GLN 111 - QG1 VAL 71 lone 3 68 - 4 - HG2 PRO 12 - QG1 VAL 71 lone 3 68 - 4 - Peak 8515 from cnoeabs.peaks (0.75, 0.58, 20.44 ppm; 3.10 A): 4 out of 5 assignments used, quality = 0.96: QD1 LEU 72 + QG1 VAL 71 OK 65 89 - 74 - 10171=13, 4.9/2103=11...(27) QD1 ILE 136 + QG1 VAL 71 OK 59 92 - 64 - 9685=15, 3.0/9683=6...(29) QD2 LEU 72 + QG1 VAL 71 OK 52 72 - 71 - 2.1/10171=11, 8515=10...(22) QG2 VAL 73 + QG1 VAL 71 OK 39 94 - 41 - 9961/4.2=8, 3.9/9940=8...(9) QD1 LEU 108 - QG1 VAL 71 OK 27 100 - 27 - 10171=6, 2149/4.2=5...(8) Peak 8516 from cnoeabs.peaks (0.77, 0.24, 22.24 ppm; 3.51 A): 4 out of 7 assignments used, quality = 0.95: QD2 LEU 72 + QG2 VAL 71 OK 70 89 - 79 - 5.0/2097=14, ~10171=11...(27) QD1 LEU 72 + QG2 VAL 71 OK 55 72 - 75 - 4.9/2097=15, 2.1/9900=10...(25) QD1 ILE 136 + QG2 VAL 71 OK 45 68 - 67 - 2.1/8517=8, 8515/2.1=8...(31) QG2 THR 74 + QG2 VAL 71 OK 32 72 - 44 - 8496/3.2=7, 4.0/8602=7...(13) QG2 VAL 73 - QG2 VAL 71 OK 28 62 - 44 - 4.4/8602=6, 3.9/9905=6...(13) QD2 LEU 95 - QG2 VAL 71 OK 22 94 - 24 - 8496/3.2=3, 8443/8523=2...(8) QD1 LEU 79 - QG2 VAL 71 OK 21 81 - 26 - ~10593=4, 8496/3.2=4...(10) Peak 8517 from cnoeabs.peaks (0.99, 0.24, 22.24 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.98: HG12 ILE 136 + QG2 VAL 71 OK 89 100 - 89 - ~9685=13, 10342/2.1=12...(37) QD1 LEU 116 + QG2 VAL 71 OK 82 100 - 83 - 2.1/11092=42...(15) HB2 LEU 39 - QG2 VAL 71 OK 40 77 - 52 - 9896/2.1=10, 4.3/2097=10...(13) Peak 8520 from cnoeabs.peaks (1.90, 0.24, 22.24 ppm; 3.80 A): 6 out of 9 assignments used, quality = 0.90: QE MET 68 + QG2 VAL 71 OK 73 81 - 89 - 8426=35, 8425/2.1=23...(26) HB3 LEU 69 + QG2 VAL 71 OK 32 89 - 36 - 4.6/8522=17, 9902/3.9=4...(9) HB3 ARG 140 + QG2 VAL 71 OK 16 99 - 16 - 1.8/8520=3, 4.0/9905=2, ~8514=1 HB3 ARG 89 + QG2 VAL 71 OK 15 99 - 15 - 1.8/8520=2, 2870/2.1=1 HB2 LYS 24 + QG2 VAL 71 OK 14 99 - 14 - 9939=2, 9902/3.9=2 HB3 LYS 93 + QG2 VAL 71 OK 11 98 - 11 - 10229/10699=1 HB ILE 101 - QG2 VAL 71 lone 9 98 - 9 - 9168/8439=1, 8514/2.1=1 HB3 GLN 111 - QG2 VAL 71 lone 5 100 - 5 - HB3 ARG 141 - QG2 VAL 71 lone 4 92 - 4 - 1.8/9939=1 Peak 8521 from cnoeabs.peaks (3.35, 0.57, 21.20 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.69: HD2 PRO 57 + QD1 LEU 66 OK 48 85 - 56 - 2.3/10423=17, ~8402=15...(10) HD3 PRO 57 + QD1 LEU 66 OK 40 72 - 55 - 2.3/10423=17, ~8402=15...(10) Peak 8522 from cnoeabs.peaks (7.48, 0.24, 22.24 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.88: H TYR 70 + QG2 VAL 71 OK 85 96 - 88 - 8483=42, 4.1/6730=31...(20) HD1 TRP 88 + QG2 VAL 71 OK 21 100 - 21 - 9399/10699=6, 5.0/8524=5...(7) HE ARG 49 - QG2 VAL 71 lone 5 85 - 6 - 6722/3.9=2, 9907/2.1=1 HE21 GLN 47 - QG2 VAL 71 lone 5 100 - 5 - 6722/3.9=2 HE22 GLN 62 - QG2 VAL 71 lone 1 85 - 1 - Peak 8523 from cnoeabs.peaks (7.07, 0.24, 22.24 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.86: H MET 68 + QG2 VAL 71 OK 76 99 - 77 - 2.9/8439=18, ~8438=11...(24) QD TYR 70 + QG2 VAL 71 OK 41 94 - 43 - 5.0/6730=13, 4.4/8522=13...(9) Peak 8524 from cnoeabs.peaks (6.83, 0.24, 22.24 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.54: QD PHE 67 + QG2 VAL 71 OK 44 99 - 45 - ~8527=13, 4.8/8523=12...(7) HZ2 TRP 88 + QG2 VAL 71 OK 17 100 - 17 - 8414/8426=3, 5.0/8522=3...(7) HD22 ASN 54 - QG2 VAL 71 lone 4 72 - 6 - 3.5/8504=4 Peak 8525 from cnoeabs.peaks (6.97, 0.24, 22.24 ppm; 3.52 A): 0 out of 2 assignments used, low quality = 0.31: QD PHE 38 - QG2 VAL 71 OK 31 77 - 40 - 2.2/11641=11...(8) HD2 HIS 10 - QG2 VAL 71 lone 4 100 - 4 - Peak 8527 from cnoeabs.peaks (7.06, 0.58, 20.44 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.93: H MET 68 + QG1 VAL 71 OK 88 94 - 94 - 2.9/8438=33, ~8439=25...(24) QE PHE 67 + QG1 VAL 71 OK 44 96 - 45 - ~8524=20, ~8524=13...(9) HD1 TRP 17 - QG1 VAL 71 lone 2 89 - 2 - 6.6/8529=1 Peak 8528 from cnoeabs.peaks (6.96, 0.58, 20.44 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.72: QD PHE 38 + QG1 VAL 71 OK 72 100 - 72 - 8525/2.1=43, ~11641=16...(10) HD2 HIS 10 - QG1 VAL 71 lone 4 62 - 6 - 8525/2.1=3 HD21 ASN 139 - QG1 VAL 71 lone 3 62 - 5 - 11387/4.0=3 Peak 8529 from cnoeabs.peaks (6.78, 0.58, 20.44 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.56: H LYS 76 + QG1 VAL 71 OK 50 85 - 59 - 4.4/8638=20, 3.6/8510=15...(16) QE TYR 112 + QG1 VAL 71 OK 12 100 - 12 - 8489/9907=2, 2223/8638=2...(5) HZ3 TRP 17 - QG1 VAL 71 lone 7 92 - 7 - 4521/8527=4 Peak 8534 from cnoeabs.peaks (0.33, 1.81, 42.88 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 91 + HB3 LEU 72 OK 82 89 - 93 - 8537/1.8=21, 8542/3.2=21...(27) HG2 LYS 123 + HB3 LEU 72 OK 43 92 - 47 - 8537/1.8=18, 8577/4.4=8...(11) Peak 8535 from cnoeabs.peaks (0.93, 1.81, 42.88 ppm; 5.07 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 91 + HB3 LEU 72 OK 99 100 - 99 - 10079/4.4=29...(48) HB2 LEU 108 + HB3 LEU 72 OK 91 100 - 91 - 8536/1.8=18, 1.8/2127=11...(46) QG2 VAL 63 + HB3 LEU 72 OK 51 100 - 51 - 8539/3.0=10, ~9871=10...(11) QD2 LEU 29 + HB3 LEU 72 OK 50 81 - 61 - ~8071=18, ~8539=16...(8) HB2 LEU 64 - HB3 LEU 72 OK 29 94 - 31 - 8536/1.8=6, ~9838=4...(13) Peak 8536 from cnoeabs.peaks (0.93, 1.17, 42.88 ppm; 5.07 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 91 + HB2 LEU 72 OK 100 100 - 100 - 10079/4.4=29...(53) HB2 LEU 108 + HB2 LEU 72 OK 92 100 - 93 - 8536=20, 8535/1.8=11...(48) QG2 VAL 63 + HB2 LEU 72 OK 55 100 - 55 - 2.1/9871=11, 2.1/8356=10...(14) QD2 LEU 29 + HB2 LEU 72 OK 50 81 - 61 - ~8071=18, ~8539=16...(9) HB2 LEU 64 - HB2 LEU 72 OK 35 94 - 37 - 8536=7, ~9838=4, ~9878=4...(14) Peak 8537 from cnoeabs.peaks (0.34, 1.17, 42.88 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 91 + HB2 LEU 72 OK 60 68 - 89 - 8534/1.8=23, 8530/3.4=15...(29) HG2 LYS 123 + HB2 LEU 72 OK 52 100 - 52 - 8534/1.8=12, 8537=11...(13) Peak 8538 from cnoeabs.peaks (0.32, 3.85, 57.42 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.88: QD1 ILE 91 + HA LEU 72 OK 84 89 - 94 - 8541/3.8=27, 8542/3.9=27...(24) QD2 LEU 42 + HA LEU 72 OK 24 96 - 25 - 8538=5, 8542/3.9=4...(10) Peak 8539 from cnoeabs.peaks (0.95, 3.85, 57.42 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.52: QD1 LEU 29 + HA LEU 72 OK 42 72 - 59 - 8580/3.6=18, 8071/2.9=15...(13) QG2 THR 51 + HA LEU 72 OK 17 81 - 20 - 8580/3.6=10, 8213=3...(4) HG3 ARG 35 - HA LEU 72 poor 9 77 - 11 - 8580/3.6=6, 8539=3 Peak 8541 from cnoeabs.peaks (0.32, 0.76, 26.47 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 91 + QD1 LEU 72 OK 89 100 - 89 - 8542/2.1=30, 8977=13...(33) QD2 LEU 42 + QD1 LEU 72 OK 14 72 - 19 - 8542/2.1=5, 8538/3.8=3...(6) Peak 8542 from cnoeabs.peaks (0.32, 0.76, 22.25 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 91 + QD2 LEU 72 OK 89 100 - 89 - 8541/2.1=28, 8977=14...(39) QD2 LEU 42 + QD2 LEU 72 OK 14 72 - 19 - 8541/2.1=4, 8538/3.9=3...(6) Peak 8545 from cnoeabs.peaks (7.82, 0.76, 26.47 ppm; 3.93 A): 4 out of 5 assignments used, quality = 0.81: H GLY 94 + QD1 LEU 72 OK 72 99 - 73 - 8546/2.1=23, 3.0/9053=16...(20) H THR 110 + QD1 LEU 72 OK 12 94 - 13 - 3.6/9271=3, 8546/2.1=3...(4) H LEU 26 + QD1 LEU 72 OK 11 81 - 14 - 4.7/10227=4, 8546/2.1=3 H TYR 27 + QD1 LEU 72 OK 11 99 - 11 - 8546/2.1=4, 6093/3.1=2 H SER 44 - QD1 LEU 72 lone 8 100 - 8 - 8546/2.1=2, 3.6/10168=1 Peak 8546 from cnoeabs.peaks (7.82, 0.76, 22.25 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.78: H GLY 94 + QD2 LEU 72 OK 75 99 - 76 - 8545/2.1=23...(18) H TYR 27 + QD2 LEU 72 OK 12 99 - 12 - 8545/2.1=4, 6093/3.2=2 H THR 110 - QD2 LEU 72 poor 10 94 - 10 - 8545/2.1=4, 3.6/9271=2 H LEU 26 - QD2 LEU 72 poor 9 81 - 11 - 8545/2.1=4, 6084/3.2=2 H SER 44 - QD2 LEU 72 lone 7 100 - 7 - 8545/2.1=3 Peak 8549 from cnoeabs.peaks (6.91, 2.12, 30.80 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.70: QD TYR 112 + HB VAL 73 OK 47 62 - 76 - 8553/2.1=31, 8551/2.1=30...(10) H LEU 29 + HB VAL 73 OK 31 99 - 31 - 8553/2.1=14, 8551/2.1=12...(4) HE21 GLN 22 + HB VAL 73 OK 17 68 - 26 - ~9919=8, 8551/2.1=8...(4) Peak 8550 from cnoeabs.peaks (6.80, 2.12, 30.80 ppm; 4.94 A): 2 out of 4 assignments used, quality = 0.95: H LYS 76 + HB VAL 73 OK 87 98 - 89 - 8552/2.1=44, 8554/2.1=25...(14) QE TYR 112 + HB VAL 73 OK 60 72 - 83 - ~8553=33, ~8551=31...(16) HD21 ASN 96 - HB VAL 73 OK 27 92 - 29 - 8552/2.1=9, 8554/2.1=8...(5) HE21 GLN 133 - HB VAL 73 OK 27 77 - 35 - 8554/2.1=11, 8547/4.0=9...(5) Peak 8551 from cnoeabs.peaks (6.90, 0.11, 19.31 ppm; 3.83 A): 3 out of 4 assignments used, quality = 0.49: H LEU 29 + QG1 VAL 73 OK 25 94 - 27 - 8553/2.1=7, 8548/4.0=5...(7) HE21 GLN 25 + QG1 VAL 73 OK 19 85 - 22 - ~9924=14, 8548/4.0=7 HE21 GLN 22 + QG1 VAL 73 OK 16 100 - 16 - 1.7/9919=7, 8553/2.1=4...(4) HD2 HIS 14 - QG1 VAL 73 lone 1 96 - 1 - Peak 8552 from cnoeabs.peaks (6.80, 0.11, 19.31 ppm; 3.83 A): 3 out of 3 assignments used, quality = 0.88: H LYS 76 + QG1 VAL 73 OK 80 92 - 87 - 8552=35, 8554/2.1=19...(21) HD21 ASN 96 + QG1 VAL 73 OK 25 98 - 25 - 8554/2.1=7, 3.5/8570=4...(6) HE21 GLN 133 + QG1 VAL 73 OK 23 89 - 26 - 8554/2.1=9, 8547/4.0=7...(5) Peak 8553 from cnoeabs.peaks (6.91, 0.76, 23.82 ppm; 3.54 A): 2 out of 3 assignments used, quality = 0.50: QD TYR 112 + QG2 VAL 73 OK 38 62 - 61 - 8553=26, 8551/2.1=18...(11) H LEU 29 + QG2 VAL 73 OK 18 99 - 19 - 8551/2.1=8, 8549/2.1=6...(4) HE21 GLN 22 - QG2 VAL 73 poor 9 68 - 14 - 8551/2.1=5, ~9919=4...(4) Peak 8554 from cnoeabs.peaks (6.80, 0.76, 23.82 ppm; 3.77 A): 3 out of 3 assignments used, quality = 0.76: H LYS 76 + QG2 VAL 73 OK 59 77 - 77 - 8554=24, 8552/2.1=22...(18) HE21 GLN 133 + QG2 VAL 73 OK 27 98 - 28 - 8547/3.9=8, 8552/2.1=6...(8) HD21 ASN 96 + QG2 VAL 73 OK 20 100 - 20 - 8552/2.1=7, 8547/3.9=5...(6) Peak 8555 from cnoeabs.peaks (6.53, 0.76, 23.82 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.59: HZ3 TRP 88 + QG2 VAL 73 OK 59 100 - 59 - 2.4/8556=30, 4.3/8554=7...(10) Peak 8556 from cnoeabs.peaks (6.43, 0.76, 23.82 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.68: HH2 TRP 88 + QG2 VAL 73 OK 68 100 - 68 - 2.4/8555=35, 4707=15...(10) Peak 8557 from cnoeabs.peaks (7.34, 3.40, 23.80 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8558 from cnoeabs.peaks (8.34, 3.40, 66.33 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.83: H GLY 78 + HA THR 74 OK 83 100 - 83 - 8692=44, 3.0/8607=17...(17) H ASP 13 - HA THR 74 lone 3 92 - 3 - Peak 8559 from cnoeabs.peaks (7.35, 3.40, 66.33 ppm; 4.30 A): 2 out of 3 assignments used, quality = 0.73: H GLY 77 + HA THR 74 OK 66 89 - 74 - 8681=34, 4.5/8558=25...(12) H ARG 109 + HA THR 74 OK 21 94 - 22 - 2.9/3528=5, 7285/3.0=5...(7) QD PHE 43 - HA THR 74 lone 7 100 - 7 - 9920/8604=1, ~8618=1 Peak 8560 from cnoeabs.peaks (6.77, 3.40, 66.33 ppm; 4.93 A): 0 out of 2 assignments used, low quality = 0.32: QE TYR 112 - HA THR 74 OK 32 72 - 44 - 2.2/4653=9, 5.6/3657=7...(13) HZ3 TRP 17 - HA THR 74 lone 1 100 - 1 - Peak 8561 from cnoeabs.peaks (8.34, 0.11, 19.31 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.79: H GLY 78 + QG1 VAL 73 OK 79 99 - 80 - 8703=40, 4.4/8562=19...(11) H ASP 13 - QG1 VAL 73 lone 5 100 - 5 - 9979/8585=2 Peak 8562 from cnoeabs.peaks (8.81, 0.11, 19.31 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.77: H LEU 79 + QG1 VAL 73 OK 77 100 - 77 - 8713=41, 2.8/8715=26...(8) H PHE 45 - QG1 VAL 73 poor 9 62 - 14 - 8562=7, 10508/8586=5, ~9795=1 Peak 8566 from cnoeabs.peaks (4.30, 0.11, 19.31 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.46: HA ARG 89 + QG1 VAL 73 OK 23 92 - 25 - 8574/2.1=11, 8566=10 HA SER 100 + QG1 VAL 73 OK 20 100 - 20 - 8566=10, 8574/2.1=8, 8609/8604=2 HA THR 18 + QG1 VAL 73 OK 12 77 - 16 - ~10865=6, 8574/2.1=5...(4) HA ILE 56 - QG1 VAL 73 lone 7 92 - 8 - 8574/2.1=3, 8609/8604=2 Peak 8567 from cnoeabs.peaks (4.18, 0.11, 19.31 ppm; 4.61 A): 5 out of 6 assignments used, quality = 0.90: HG1 THR 74 + QG1 VAL 73 OK 57 85 - 66 - 4.1/8604=27, 5.1/6778=24...(13) HA TRP 88 + QG1 VAL 73 OK 44 85 - 51 - 8931/10653=9, 7.2/9919=8...(17) HA LEU 64 + QG1 VAL 73 OK 37 89 - 42 - 9878/2.1=7, 8610/4.4=5...(13) HA CYS 121 + QG1 VAL 73 OK 19 96 - 20 - 10314/4.4=6, 3.6/9921=4...(7) HA PHE 38 + QG1 VAL 73 OK 16 81 - 19 - 8572/4.0=3, 4.9/2174=3...(8) HA PHE 67 - QG1 VAL 73 lone 5 68 - 8 - 8826/10653=1 Peak 8569 from cnoeabs.peaks (3.40, 0.11, 19.31 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.98: HA THR 74 + QG1 VAL 73 OK 94 100 - 94 - 8604=45, 3.0/6778=35...(23) HB3 TYR 112 + QG1 VAL 73 OK 65 81 - 80 - 2.7/8551=33, 8569=23...(17) Peak 8570 from cnoeabs.peaks (3.10, 0.11, 19.31 ppm; 3.22 A): 3 out of 6 assignments used, quality = 0.46: HA ALA 105 + QG1 VAL 73 OK 23 99 - 23 - 8570=12, 9219/2.1=3...(5) HD2 ARG 109 + QG1 VAL 73 OK 21 92 - 23 - 8570=11, ~9275=3...(7) HB3 ASN 96 + QG1 VAL 73 OK 11 96 - 12 - 8570=5, 3.5/8552=3 HD2 ARG 145 - QG1 VAL 73 poor 10 81 - 12 - 8570=5, 1.8/8570=4 HD3 ARG 145 - QG1 VAL 73 poor 9 77 - 12 - 8570=5, 1.8/8570=4 HB3 HIS 10 - QG1 VAL 73 lone 2 98 - 2 - Peak 8571 from cnoeabs.peaks (4.08, 2.12, 30.80 ppm; 5.13 A): 3 out of 6 assignments used, quality = 0.72: HA VAL 53 + HB VAL 73 OK 62 100 - 62 - ~8240=11, ~8240=10...(15) HA LEU 132 + HB VAL 73 OK 15 99 - 15 - 10292/2.1=6, ~10408=3 HA GLU 90 + HB VAL 73 OK 12 99 - 12 - 8957/2.1=7 HA LEU 26 - HB VAL 73 lone 4 85 - 5 - HA LYS 34 - HB VAL 73 lone 3 94 - 3 - 10694/10689=1 HD3 PRO 33 - HB VAL 73 lone 2 72 - 3 - Peak 8573 from cnoeabs.peaks (3.99, 0.76, 23.82 ppm; 4.17 A): 8 out of 8 assignments used, quality = 0.94: HA LEU 69 + QG2 VAL 73 OK 59 96 - 61 - 4.1/8595=11, 3.7/8597=9...(15) HA GLU 75 + QG2 VAL 73 OK 51 68 - 76 - 3.6/8554=17, 3.0/2181=14...(17) HA MET 113 + QG2 VAL 73 OK 33 94 - 35 - 9309/8553=8, 4.9/9302=5...(10) HA LYS 114 + QG2 VAL 73 OK 20 94 - 21 - 3734/8594=4, 6753/3.9=4...(4) HA GLU 122 + QG2 VAL 73 OK 16 94 - 17 - ~9921=2, 3.0/9922=2...(5) HB2 SER 138 + QG2 VAL 73 OK 14 96 - 15 - ~9715=2, 6753/3.9=2...(5) HB3 SER 138 + QG2 VAL 73 OK 14 96 - 15 - ~9715=2, 6753/3.9=2...(5) HB3 SER 127 + QG2 VAL 73 OK 12 99 - 12 - 6753/3.9=2, 6736/9961=1 Peak 8574 from cnoeabs.peaks (4.30, 0.76, 23.82 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.60: HA ARG 89 + QG2 VAL 73 OK 36 92 - 39 - 8566/2.1=16, 8574=15...(7) HA SER 100 + QG2 VAL 73 OK 26 100 - 26 - 8566/2.1=14, 8574=12 HA THR 18 + QG2 VAL 73 OK 16 77 - 21 - 8566/2.1=9, ~10865=8...(5) HA ILE 56 - QG2 VAL 73 lone 8 92 - 9 - 8566/2.1=5, 2166/2.1=2 Peak 8582 from cnoeabs.peaks (0.33, 3.19, 65.90 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 91 + HA VAL 73 OK 86 100 - 86 - 8985=31, 8593/3.2=21...(26) HG2 LYS 123 + HA VAL 73 OK 27 68 - 40 - 8586/3.2=9, 8577/3.0=7...(9) Peak 8583 from cnoeabs.peaks (0.42, 3.19, 65.90 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.93: QG2 VAL 82 + HA VAL 73 OK 93 98 - 95 - 8804=29, 8585/3.2=29...(28) Peak 8584 from cnoeabs.peaks (1.18, 3.19, 65.90 ppm; 4.54 A): 4 out of 5 assignments used, quality = 0.99: HB2 LEU 72 + HA VAL 73 OK 84 89 - 95 - 6759/3.0=14, ~6760=13...(43) QD1 LEU 69 + HA VAL 73 OK 74 89 - 84 - 9922/3.0=25, 8595/3.2=14...(27) HG2 LYS 76 + HA VAL 73 OK 61 81 - 75 - 5.1/6802=14, 8595/3.2=13...(19) HB3 LEU 108 + HA VAL 73 OK 47 81 - 58 - ~10220=8, ~2156=6...(25) QD1 LEU 26 - HA VAL 73 OK 18 99 - 18 - 10877/6802=5...(7) Peak 8585 from cnoeabs.peaks (0.42, 0.11, 19.31 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.93: QG2 VAL 82 + QG1 VAL 73 OK 93 100 - 93 - 8585=38, 8594/2.1=24...(27) Peak 8586 from cnoeabs.peaks (0.31, 0.11, 19.31 ppm; 3.76 A): 0 out of 1 assignment used, low quality = 0.43: QD2 LEU 42 - QG1 VAL 73 OK 43 100 - 43 - 8813/8585=15, ~8151=11...(10) Peak 8587 from cnoeabs.peaks (0.63, 0.11, 19.31 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.90: QD2 LEU 79 + QG1 VAL 73 OK 66 92 - 72 - 3.8/8715=23, 8587=21...(16) QD1 LEU 126 + QG1 VAL 73 OK 60 85 - 70 - 10249=28, 9496/4.4=13...(20) QD2 LEU 64 + QG1 VAL 73 OK 26 99 - 26 - 8156/8586=6, 4.0/8567=4...(8) Peak 8588 from cnoeabs.peaks (0.97, 0.11, 19.31 ppm; 4.88 A): 4 out of 4 assignments used, quality = 0.60: QD1 LEU 29 + QG1 VAL 73 OK 27 89 - 30 - 4.6/8551=12, 2.1/8588=4...(7) HB2 LEU 39 + QG1 VAL 73 OK 21 85 - 25 - 1.8/8590=5, 3.0/2174=4...(11) QG2 THR 51 + QG1 VAL 73 OK 21 81 - 26 - 8228/2.1=10, 10462/3.2=5...(6) HG3 ARG 35 + QG1 VAL 73 OK 12 85 - 14 - ~8596=5, ~8596=4...(4) Peak 8589 from cnoeabs.peaks (1.17, 0.11, 19.31 ppm; 4.30 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 72 + QG1 VAL 73 OK 92 100 - 93 - 4.4/6766=27, ~9961=15...(36) QD1 LEU 69 + QG1 VAL 73 OK 90 100 - 90 - 9922/4.0=22, 8595/2.1=17...(33) HG2 LYS 76 + QG1 VAL 73 OK 85 98 - 87 - 5.1/8552=20, 8589=15...(29) QG2 THR 92 - QG1 VAL 73 OK 28 62 - 44 - 8589=7, 8595/2.1=6...(15) QD1 LEU 26 - QG1 VAL 73 OK 18 85 - 21 - 10877/8552=5...(8) Peak 8590 from cnoeabs.peaks (1.38, 0.11, 19.31 ppm; 4.10 A): 3 out of 7 assignments used, quality = 0.99: HB VAL 82 + QG1 VAL 73 OK 84 85 - 98 - 2.1/8585=47...(21) HB2 LEU 69 + QG1 VAL 73 OK 78 100 - 78 - 8590=12, 3.2/10657=10...(29) HG LEU 132 + QG1 VAL 73 OK 72 99 - 73 - 2.1/9598=23, ~8583=17...(17) HB2 ARG 109 - QG1 VAL 73 OK 34 100 - 34 - 3.6/8570=9, 4.0/9920=5...(11) HB3 LEU 39 - QG1 VAL 73 OK 31 98 - 32 - 1.8/8588=7, 8590=5...(12) HG2 ARG 49 - QG1 VAL 73 OK 14 98 - 15 - 8596/2.1=2, 2493/8585=2...(6) HG2 LYS 86 - QG1 VAL 73 poor 10 89 - 11 - 2487/10653=1, 8590=1 Peak 8591 from cnoeabs.peaks (1.53, 0.11, 19.31 ppm; 4.41 A): 3 out of 9 assignments used, quality = 0.96: HG3 LYS 76 + QG1 VAL 73 OK 81 96 - 84 - 5.1/8552=21, 1.8/8589=13...(28) HD2 LYS 76 + QG1 VAL 73 OK 69 100 - 69 - 6.1/8552=16...(18) HG2 LYS 93 + QG1 VAL 73 OK 34 96 - 35 - ~8596=9, ~8596=7, 8591=4...(7) HB2 LEU 29 - QG1 VAL 73 OK 34 89 - 38 - 4.0/8551=12, 3.1/8588=9...(7) QB ALA 135 - QG1 VAL 73 OK 29 85 - 34 - 3.7/2178=7, 10318/9598=5...(10) HG2 ARG 55 - QG1 VAL 73 OK 23 81 - 28 - 3.0/2174=6, 3.0/2174=5...(9) HG3 ARG 55 - QG1 VAL 73 OK 20 72 - 28 - 3.0/2174=6, 3.0/2174=5...(9) HG3 LYS 85 - QG1 VAL 73 OK 13 72 - 18 - 11568/8585=2, 8591=2...(8) HG3 PRO 57 - QG1 VAL 73 lone 6 62 - 10 - 8268/8587=2, ~11514=1 Peak 8592 from cnoeabs.peaks (1.85, 0.11, 19.31 ppm; 6.21 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 76 + QG1 VAL 73 OK 92 94 - 97 - 4.0/8552=45, 4.6/8675=34...(29) HG LEU 69 + QG1 VAL 73 OK 85 89 - 95 - 2.1/10657=21, ~8461=18...(32) HB3 LEU 126 + QG1 VAL 73 OK 69 85 - 81 - 3.1/10338=47, ~11079=16...(18) HB2 LYS 93 - QG1 VAL 73 OK 41 92 - 44 - ~8596=11, ~8596=9...(14) HB3 LYS 85 - QG1 VAL 73 OK 31 81 - 38 - 2592/10009=7...(12) HB3 GLU 28 - QG1 VAL 73 OK 30 96 - 31 - 4.3/8551=18, 8592=4...(5) Peak 8593 from cnoeabs.peaks (0.32, 0.76, 23.82 ppm; 2.99 A): 2 out of 2 assignments used, quality = 0.84: QD1 ILE 91 + QG2 VAL 73 OK 80 100 - 80 - 8593=25, 8978/2.1=21...(24) QD2 LEU 42 + QG2 VAL 73 OK 17 72 - 23 - 8586/2.1=9, ~8151=6...(5) Peak 8594 from cnoeabs.peaks (0.43, 0.76, 23.82 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 82 + QG2 VAL 73 OK 91 96 - 95 - 8797/2.1=33...(26) Peak 8595 from cnoeabs.peaks (1.17, 0.76, 23.82 ppm; 2.58 A): 4 out of 5 assignments used, quality = 0.90: QD1 LEU 69 + QG2 VAL 73 OK 57 100 - 57 - 8473=13, 9922/3.9=7...(18) HB2 LEU 72 + QG2 VAL 73 OK 51 100 - 51 - 4.4/2179=9, 3.4/9925=7...(21) HG2 LYS 76 + QG2 VAL 73 OK 44 98 - 45 - 8595=12, 11055/8594=5...(16) QG2 THR 92 + QG2 VAL 73 OK 11 62 - 17 - 8595=5, 3.2/9018=2...(5) QD1 LEU 26 - QG2 VAL 73 lone 5 85 - 6 - 8800/8594=1 Peak 8596 from cnoeabs.peaks (1.41, 0.76, 23.82 ppm; 3.85 A): 5 out of 6 assignments used, quality = 0.72: HG LEU 116 + QG2 VAL 73 OK 30 96 - 32 - 8596=15, 2.1/10227=8...(6) HG3 LYS 93 + QG2 VAL 73 OK 26 96 - 27 - 8596=14, 5.1/9922=3...(7) HD2 LYS 114 + QG2 VAL 73 OK 20 100 - 20 - 3791/8594=5, ~10656=3...(8) HG2 LYS 36 + QG2 VAL 73 OK 18 100 - 18 - 8596=7, 3.0/8597=2...(4) HB2 ARG 35 + QG2 VAL 73 OK 17 99 - 17 - 8596=9, 10801/9922=2...(5) HG2 LYS 24 - QG2 VAL 73 lone 9 100 - 9 - 10906/8596=2, 2990/8593=2 Peak 8597 from cnoeabs.peaks (1.86, 0.76, 23.82 ppm; 3.77 A): 2 out of 8 assignments used, quality = 0.91: HG LEU 69 + QG2 VAL 73 OK 72 100 - 72 - 2.1/8595=16, 8597=14...(26) HB3 LYS 76 + QG2 VAL 73 OK 68 99 - 69 - 8597=13, 4.0/8554=12...(21) HB2 ARG 144 - QG2 VAL 73 OK 20 85 - 23 - 8597=4, 4.0/2180=3...(7) HB3 LYS 85 - QG2 VAL 73 OK 17 100 - 17 - 8597=3, 8801/8594=3...(5) HB2 LYS 36 - QG2 VAL 73 OK 17 81 - 21 - 4.5/8564=9, 3.0/8596=5...(4) HB3 GLU 28 - QG2 VAL 73 OK 12 98 - 12 - 4.3/8553=6, 8597=2, 8592/2.1=1 HB2 LYS 48 - QG2 VAL 73 lone 8 94 - 9 - 8597=2, 8801/8594=1 HB3 LYS 48 - QG2 VAL 73 lone 6 72 - 8 - 1.8/8597=1, 8801/8594=1, 8597=1 Peak 8603 from cnoeabs.peaks (0.63, 3.40, 66.33 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.94: QD1 LEU 126 + HA THR 74 OK 90 99 - 91 - 9493=40, 9492/3.0=24...(31) QD2 LEU 79 + HA THR 74 OK 38 68 - 56 - 2.1/2188=9, 8605/3.0=8...(26) QD2 LEU 64 - HA THR 74 OK 22 100 - 22 - 8605/3.0=6, 4.0/8608=4...(7) Peak 8604 from cnoeabs.peaks (0.11, 3.40, 66.33 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.93: QG1 VAL 73 + HA THR 74 OK 93 100 - 93 - 6778/3.0=37, 8569=29...(23) Peak 8605 from cnoeabs.peaks (0.64, 3.71, 68.35 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 126 + HB THR 74 OK 88 100 - 88 - 9492=37, 9493/3.0=32...(25) QD2 LEU 64 + HB THR 74 OK 26 92 - 28 - 8369=5, 8603/3.0=4...(8) Peak 8607 from cnoeabs.peaks (3.08, 3.40, 66.33 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.75: HA2 GLY 78 + HA THR 74 OK 72 98 - 74 - 3.0/8558=37...(12) HD3 ARG 49 + HA THR 74 OK 10 94 - 11 - 6839/8558=4...(4) HA TYR 119 - HA THR 74 lone 7 100 - 7 - 10704/11037=2...(3) HB3 HIS 10 - HA THR 74 lone 1 62 - 2 - Peak 8608 from cnoeabs.peaks (4.18, 3.40, 66.33 ppm; 4.21 A): 1 out of 6 assignments used, quality = 0.96: HG1 THR 74 + HA THR 74 OK 96 96 - 100 - 4.1=100 HA TRP 88 - HA THR 74 OK 31 96 - 32 - 8610/3.0=7, 8618/3.2=6...(8) HA LEU 64 - HA THR 74 OK 31 98 - 31 - 8610/3.0=7, 8628/3.6=6...(9) HA CYS 121 - HA THR 74 OK 17 85 - 20 - 10314/3.0=6, 8628/3.6=4...(7) HA PHE 38 - HA THR 74 poor 10 94 - 10 - 8610/3.0=3, 8628/3.6=2...(4) HA GLU 120 - HA THR 74 lone 5 72 - 7 - ~9438=2, 8610/3.0=2, 4.9/8607=1 Peak 8609 from cnoeabs.peaks (4.30, 3.40, 66.33 ppm; 4.63 A): 0 out of 4 assignments used, low quality = 0.00: HA ARG 89 - HA THR 74 lone 8 99 - 8 - 8566/8604=5, 8947/9031=1 HA THR 18 - HA THR 74 lone 7 92 - 7 - ~10856=3, 8566/8604=3 HA SER 100 - HA THR 74 lone 6 98 - 6 - 8566/8604=4, ~10352=1 HA ILE 56 - HA THR 74 lone 6 77 - 7 - 4.2/8603=4, 8566/8604=2 Peak 8614 from cnoeabs.peaks (0.09, 0.78, 22.22 ppm; 3.76 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8618 from cnoeabs.peaks (4.19, 0.78, 22.22 ppm; 2.93 A): 0 out of 9 assignments used, low quality = 0.20: HA PHE 67 - QD1 LEU 79 OK 11 67 - 16 - 3.6/8443=4, 2.8/11231=3...(5) HA PHE 67 - QG2 THR 74 OK 11 100 - 11 - 8618=3, 3.6/8443=2, 2.8/11231=2 HA PHE 43 - QD1 LEU 79 poor 8 63 - 13 - 10829/2.1=7, 8618=3 HA CYS 121 - QG2 THR 74 lone 8 94 - 8 - 10314/4.0=2, 2.9/9450=2 HA CYS 121 - QD2 LEU 126 poor 6 59 - 10 - 10313/4.8=7, 2.9/9450=1 HA PHE 67 - QD2 LEU 126 lone 4 68 - 6 - 2.8/11231=2 HA PHE 43 - QG2 THR 74 lone 4 98 - 4 - 8618=2 HA CYS 121 - QD1 LEU 79 lone 3 59 - 5 - 2.9/9450=1 HA PHE 43 - QD2 LEU 126 lone 1 64 - 1 - Peak 8619 from cnoeabs.peaks (4.18, 3.71, 68.35 ppm; 3.81 A): 1 out of 6 assignments used, quality = 0.96: HG1 THR 74 + HB THR 74 OK 96 96 - 100 - 2.8=100 HA LEU 64 - HB THR 74 OK 28 98 - 29 - 4.0/8605=5, 8610/4.0=5...(8) HA TRP 88 - HB THR 74 OK 28 96 - 29 - 8618/2.1=6, 8610/4.0=5...(8) HA CYS 121 - HB THR 74 OK 13 85 - 15 - 10314/4.0=4, ~9450=3...(5) HA PHE 38 - HB THR 74 lone 9 94 - 9 - 8610/4.0=2, 8628/4.7=1 HA GLU 120 - HB THR 74 lone 4 72 - 6 - ~9438=2, 8610/4.0=1 Peak 8629 from cnoeabs.peaks (1.15, 2.12, 28.78 ppm; 4.87 A): 4 out of 6 assignments used, quality = 0.94: HB2 LEU 72 + HB2 GLU 75 OK 63 68 - 94 - 3.0/2208=23...(32) HG2 LYS 76 + HB2 GLU 75 OK 61 77 - 79 - 8636/1.8=21, 5.1/2215=19...(17) QG2 THR 92 + HB2 GLU 75 OK 45 100 - 45 - 8636/1.8=13, 8634/3.0=11...(11) HG LEU 64 + HB2 GLU 75 OK 29 68 - 43 - 8634/3.0=11, 8636/1.8=10...(11) QD1 LEU 69 - HB2 GLU 75 OK 22 68 - 32 - 6814/4.4=6, 9931=4...(14) QG2 THR 18 - HB2 GLU 75 OK 13 72 - 18 - 10865=8, 8634/3.0=4, 8636/1.8=4 Peak 8630 from cnoeabs.peaks (0.76, 2.12, 28.78 ppm; 4.03 A): 4 out of 5 assignments used, quality = 1.00: QG2 VAL 73 + HB2 GLU 75 OK 84 100 - 84 - 2181=19, 2.1/2175=17...(21) QD1 LEU 72 + HB2 GLU 75 OK 78 100 - 78 - 2.1/11608=15...(25) QD2 LEU 72 + HB2 GLU 75 OK 76 96 - 79 - 11608=18, 11723/3.0=15...(25) QD1 LEU 108 + HB2 GLU 75 OK 63 89 - 71 - 9258/3.0=24, ~10170=15...(16) QD1 ILE 136 - HB2 GLU 75 OK 32 100 - 32 - 10341/1.8=4, 10332/3.0=4...(9) Peak 8631 from cnoeabs.peaks (0.57, 2.12, 28.78 ppm; 4.18 A): 4 out of 4 assignments used, quality = 0.92: QG2 ILE 58 + HB2 GLU 75 OK 62 89 - 70 - 8632/3.0=32, 8643/3.0=24...(10) QG1 VAL 71 + HB2 GLU 75 OK 52 72 - 72 - 8638/1.8=26, ~9972=14...(13) QD1 ILE 58 + HB2 GLU 75 OK 46 81 - 57 - 9850/1.8=17, ~8632=15...(11) QD1 LEU 66 + HB2 GLU 75 OK 20 94 - 21 - 8638/1.8=5, 8643/3.0=4...(6) Peak 8632 from cnoeabs.peaks (0.57, 2.20, 36.56 ppm; 3.50 A): 4 out of 5 assignments used, quality = 0.88: QG1 VAL 71 + HG2 GLU 75 OK 58 92 - 63 - 8512/1.8=19, 8638/3.0=16...(12) QG2 ILE 58 + HG2 GLU 75 OK 54 99 - 55 - 8643/1.8=30, 8631/3.0=9...(11) QD1 ILE 58 + HG2 GLU 75 OK 24 57 - 41 - ~8643=14, 9850/3.0=5...(10) QD1 LEU 66 + HG2 GLU 75 OK 19 100 - 19 - 8643/1.8=4, 8638/3.0=2...(7) QD1 LEU 132 - HG2 GLU 75 poor 9 72 - 13 - 8638/3.0=3, 8643/1.8=2 Peak 8633 from cnoeabs.peaks (0.76, 2.20, 36.56 ppm; 4.34 A): 3 out of 5 assignments used, quality = 0.96: QD2 LEU 72 + HG2 GLU 75 OK 71 100 - 71 - 11608/3.0=14...(17) QG2 VAL 73 + HG2 GLU 75 OK 62 89 - 70 - 2.1/2226=13, 2181/3.0=12...(17) QD1 LEU 72 + HG2 GLU 75 OK 59 94 - 63 - 3.8/11518=13, ~11608=9...(15) QD1 ILE 136 - HG2 GLU 75 OK 26 92 - 28 - 9969/1.8=4, 10332/3.9=4...(7) QD2 LEU 95 - HG2 GLU 75 lone 4 72 - 6 - 9968/3.9=2 Peak 8634 from cnoeabs.peaks (1.15, 2.20, 36.56 ppm; 5.61 A): 3 out of 3 assignments used, quality = 0.75: HG LEU 64 + HG2 GLU 75 OK 45 89 - 50 - 8629/3.0=12, 8636/3.0=10...(14) QG2 THR 92 + HG2 GLU 75 OK 44 94 - 47 - 8636/3.0=14, 8629/3.0=13...(11) QG2 THR 18 + HG2 GLU 75 OK 18 92 - 20 - 10865/3.0=11, 8636/3.0=4 Peak 8635 from cnoeabs.peaks (1.53, 2.20, 36.56 ppm; 4.38 A): 3 out of 8 assignments used, quality = 0.96: HG3 LYS 76 + HG2 GLU 75 OK 78 100 - 79 - 1.8/8634=19, 5.1/2230=14...(17) HD2 LYS 76 + HG2 GLU 75 OK 70 100 - 70 - 3.0/8634=16, 6.1/2230=10...(16) HG3 PRO 57 + HG2 GLU 75 OK 36 85 - 42 - ~11514=9, 9970/1.8=6...(16) HB2 LYS 123 - HG2 GLU 75 OK 18 77 - 23 - ~8639=7, ~8639=7...(7) QB ALA 135 - HG2 GLU 75 OK 12 98 - 13 - 8626/5.0=3, 9970/1.8=2...(4) HB2 LEU 29 - HG2 GLU 75 lone 9 99 - 10 - 4.2/11297=2, 2278/8634=1...(4) HG2 LYS 93 - HG2 GLU 75 lone 9 100 - 9 - 2284/2230=1, 2288/8634=1 HG3 LYS 85 - HG2 GLU 75 lone 8 92 - 9 - 9970/1.8=2, 2243/8646=1 Peak 8636 from cnoeabs.peaks (1.15, 1.98, 28.78 ppm; 4.91 A): 4 out of 4 assignments used, quality = 0.87: QG2 THR 92 + HB3 GLU 75 OK 51 98 - 53 - 8629/1.8=12, 8634/3.0=11...(15) HG2 LYS 76 + HB3 GLU 75 OK 48 62 - 77 - 5.1/2223=21, 8634/3.0=16...(15) HG LEU 64 + HB3 GLU 75 OK 39 81 - 48 - 8634/3.0=11, 8629/1.8=11...(11) QG2 THR 18 + HB3 GLU 75 OK 17 85 - 19 - 10865/1.8=10, 8634/3.0=5 Peak 8637 from cnoeabs.peaks (0.75, 1.98, 28.78 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.96: QD1 LEU 108 + HB3 GLU 75 OK 72 100 - 72 - 9258/3.0=25...(14) QG2 VAL 73 + HB3 GLU 75 OK 67 92 - 72 - 2181/1.8=14, 2.1/2219=13...(22) QD1 LEU 72 + HB3 GLU 75 OK 61 85 - 72 - 3.8/2114=12...(22) QD2 LEU 72 - HB3 GLU 75 OK 42 68 - 62 - 3.9/2114=11, 11609=8...(21) QD1 ILE 136 - HB3 GLU 75 OK 23 89 - 26 - 10332/3.0=3, 8630/1.8=3...(9) Peak 8638 from cnoeabs.peaks (0.57, 1.98, 28.78 ppm; 4.35 A): 3 out of 5 assignments used, quality = 0.96: QG2 ILE 58 + HB3 GLU 75 OK 78 99 - 78 - 8632/3.0=38, 8643/3.0=32...(9) QG1 VAL 71 + HB3 GLU 75 OK 69 92 - 75 - 8512/3.0=22, 8631/1.8=16...(15) QD1 ILE 58 + HB3 GLU 75 OK 37 57 - 65 - ~8632=17, ~8643=15...(10) QD1 LEU 66 - HB3 GLU 75 OK 27 100 - 27 - 8643/3.0=5, 8632/3.0=5...(10) QD1 LEU 132 - HB3 GLU 75 OK 13 72 - 18 - 8632/3.0=2, 8643/3.0=2...(8) Peak 8639 from cnoeabs.peaks (0.33, 1.98, 28.78 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.74: QD1 ILE 91 + HB3 GLU 75 OK 53 94 - 56 - 8994/4.4=18, 8992/3.0=17...(15) HG2 LYS 123 + HB3 GLU 75 OK 45 85 - 53 - 3.8/9468=17, 8650/4.4=17...(10) Peak 8640 from cnoeabs.peaks (3.84, 2.29, 36.56 ppm; 4.21 A): 7 out of 16 assignments used, quality = 0.94: HB2 SER 127 + HG3 GLU 75 OK 60 96 - 62 - 8645/1.8=13, 1.8/2232=11...(13) HA LEU 72 + HG3 GLU 75 OK 48 77 - 62 - 2208/3.0=14, 2216/3.0=13...(14) HA MET 68 + HG3 GLU 75 OK 32 98 - 33 - 8439/9971=6, 8438/8512=6...(6) HA ALA 104 + HG3 GLU 75 OK 30 100 - 30 - 8645/1.8=7, 10158/8642=3...(9) HD2 PRO 118 + HG3 GLU 75 OK 21 92 - 23 - 4.8/2231=4, 2208/3.0=3...(6) HA GLN 133 + HG3 GLU 75 OK 15 99 - 16 - 8645/1.8=3, 9620/8512=2...(4) HA LEU 66 + HG3 GLU 75 OK 10 72 - 14 - 4.0/8643=3, 8645/1.8=3...(6) HA LEU 72 - HG2 GLU 120 poor 3 24 - 11 - 3.9/9559=2, 2208/2214=1...(5) HB2 SER 100 - HG3 GLU 75 lone 2 96 - 2 - HB2 SER 127 - HG2 GLU 120 lone 2 34 - 5 - HA MET 68 - HG2 GLU 120 lone 1 35 - 4 - HA ALA 104 - HG2 GLU 120 lone 1 37 - 3 - HD2 PRO 118 - HG2 GLU 120 lone 1 31 - 3 - 4.5/11114=1 HA GLN 133 - HG2 GLU 120 lone 1 36 - 2 - HA LEU 66 - HG2 GLU 120 lone 1 22 - 3 - HB2 SER 100 - HG2 GLU 120 lone 0 34 - 1 - Peak 8641 from cnoeabs.peaks (1.16, 2.29, 36.56 ppm; 4.78 A): 2 out of 8 assignments used, quality = 0.98: HB2 LEU 72 + HG3 GLU 75 OK 87 100 - 87 - ~11518=13, ~2114=11...(28) HG2 LYS 76 + HG3 GLU 75 OK 83 100 - 83 - 8634/1.8=22...(18) QG2 THR 92 - HG3 GLU 75 OK 36 89 - 41 - 8634/1.8=11, 8636/3.0=10...(10) QD1 LEU 69 - HG3 GLU 75 OK 35 100 - 35 - 9935/8644=6, 8473/8642=6...(12) HG2 LYS 76 - HG2 GLU 120 poor 8 38 - 22 - 5.1/6810=4, 11553=3...(7) HB2 LEU 72 - HG2 GLU 120 poor 4 37 - 11 - 3.2/9559=3, 3.0/11519=2 QD1 LEU 69 - HG2 GLU 120 lone 3 37 - 8 - 11376/9494=3 QG2 THR 92 - HG2 GLU 120 lone 2 29 - 7 - 8636/2222=1 Peak 8642 from cnoeabs.peaks (0.73, 2.29, 36.56 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.66: QD2 LEU 108 + HG3 GLU 75 OK 51 100 - 52 - 10170/3.0=14, 8630/3.0=8...(14) QD1 LEU 108 + HG3 GLU 75 OK 30 72 - 41 - 9258/3.9=10, 8630/3.0=7...(9) QD2 LEU 108 - HG2 GLU 120 lone 2 37 - 5 - 10170/2222=1 QD1 LEU 108 - HG2 GLU 120 lone 1 22 - 4 - 9258/2206=1 Peak 8643 from cnoeabs.peaks (0.57, 2.29, 36.56 ppm; 3.46 A): 4 out of 10 assignments used, quality = 0.88: QG1 VAL 71 + HG3 GLU 75 OK 58 92 - 63 - 8512=17, 8638/3.0=15...(10) QG2 ILE 58 + HG3 GLU 75 OK 55 99 - 56 - 8632/1.8=34, 8631/3.0=8...(10) QD1 ILE 58 + HG3 GLU 75 OK 22 57 - 39 - ~8632=15, 9850/3.0=5...(8) QD1 LEU 66 + HG3 GLU 75 OK 20 100 - 20 - 8632/1.8=4, 10174/8642=3...(9) QD1 LEU 132 - HG3 GLU 75 poor 10 72 - 14 - 8638/3.0=2, 8632/1.8=2...(5) QG1 VAL 71 - HG2 GLU 120 poor 4 31 - 12 - 8512/1.8=3, ~9971=1...(4) QG2 ILE 58 - HG2 GLU 120 lone 2 36 - 5 - 8632/2229=2 QD1 LEU 66 - HG2 GLU 120 lone 1 37 - 3 - QD1 LEU 132 - HG2 GLU 120 lone 0 22 - 2 - QD1 ILE 58 - HG2 GLU 120 lone 0 16 - 2 - Peak 8644 from cnoeabs.peaks (0.31, 2.29, 36.56 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.51: QD1 ILE 91 + HG3 GLU 75 OK 44 85 - 51 - 8639/3.0=14, 8992/3.9=12...(16) QD2 LEU 42 + HG3 GLU 75 OK 13 98 - 14 - 8658/8641=2...(4) QD1 ILE 91 - HG2 GLU 120 poor 4 28 - 14 - 8991/3.8=3, 10062/8893=1...(6) QD2 LEU 42 - HG2 GLU 120 lone 2 35 - 7 - 8930/3.8=2, 8156/9494=1 Peak 8645 from cnoeabs.peaks (3.85, 2.20, 36.56 ppm; 3.88 A): 4 out of 5 assignments used, quality = 0.92: HA LEU 72 + HG2 GLU 75 OK 65 100 - 65 - 11518=16, 2208/3.0=16...(14) HB2 SER 127 + HG2 GLU 75 OK 58 98 - 59 - 1.8/2225=11, 2208/3.0=10...(14) HA MET 68 + HG2 GLU 75 OK 29 96 - 30 - 2208/3.0=6, 2216/3.0=6...(8) HA ALA 104 + HG2 GLU 75 OK 22 92 - 24 - 2208/3.0=4, 2216/3.0=4...(8) HA GLN 133 - HG2 GLU 75 lone 5 62 - 8 - 8640/1.8=1 Peak 8646 from cnoeabs.peaks (4.15, 2.20, 36.56 ppm; 4.10 A): 3 out of 7 assignments used, quality = 0.84: HA LYS 76 + HG2 GLU 75 OK 73 100 - 73 - 3.0/2230=20, ~2237=13...(13) HA GLU 120 + HG2 GLU 75 OK 33 77 - 42 - 3.8/2229=6, 8647/3.0=6...(17) HA LEU 126 + HG2 GLU 75 OK 14 100 - 14 - ~10340=4, 8647/3.0=2...(6) HB2 SER 44 - HG2 GLU 75 lone 7 89 - 8 - 8647/3.0=1 HB3 SER 44 - HG2 GLU 75 lone 7 89 - 8 - 8647/3.0=1 HA GLU 131 - HG2 GLU 75 lone 5 92 - 6 - HA3 GLY 125 - HG2 GLU 75 lone 5 100 - 5 - ~7562=2, 8647/3.0=1 Peak 8647 from cnoeabs.peaks (4.16, 2.12, 28.78 ppm; 4.25 A): 5 out of 11 assignments used, quality = 0.91: HA LYS 76 + HB2 GLU 75 OK 73 98 - 75 - 3.0/2215=25, ~2223=17...(13) HA GLU 120 + HB2 GLU 75 OK 42 96 - 44 - 3.8/2214=8, 3.8/2214=7...(18) HA LEU 64 + HB2 GLU 75 OK 18 68 - 27 - 3.7/8629=7, ~10634=4...(8) HG1 THR 74 + HB2 GLU 75 OK 16 72 - 23 - 5.1/6777=9, 8628/3.9=4...(6) HA LEU 126 + HB2 GLU 75 OK 15 92 - 16 - 6811/4.4=5, ~10340=3...(4) HB3 SER 44 - HB2 GLU 75 lone 9 100 - 9 - 6811/4.4=2, 8646/3.0=2...(4) HB2 SER 44 - HB2 GLU 75 lone 9 100 - 9 - 6811/4.4=2, 8646/3.0=2...(4) HA TRP 88 - HB2 GLU 75 poor 9 72 - 12 - 9266/8630=2, 8628/3.9=1 HA3 GLY 125 - HB2 GLU 75 lone 8 100 - 8 - ~7562=3, 6811/4.4=2, 8646/3.0=1 HA GLU 131 - HB2 GLU 75 lone 4 68 - 6 - 6811/4.4=2, 8646/3.0=1 HA PHE 38 - HB2 GLU 75 lone 4 77 - 5 - Peak 8652 from cnoeabs.peaks (0.71, 4.15, 54.47 ppm; 3.84 A): 3 out of 3 assignments used, quality = 0.95: QD1 LEU 87 + HA LYS 76 OK 77 94 - 82 - 8660/4.1=16, 8654/2.9=16...(24) QD2 LEU 87 + HA LYS 76 OK 71 96 - 74 - 8897/2.9=17, 8665/5.4=12...(22) QD2 LEU 108 + HA LYS 76 OK 23 62 - 37 - 8654/2.9=16, 9944/4.1=7...(10) Peak 8653 from cnoeabs.peaks (0.41, 4.15, 54.47 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 82 + HA LYS 76 OK 90 96 - 94 - 8657/2.9=32, 8655/2.9=31...(20) Peak 8654 from cnoeabs.peaks (0.73, 1.46, 31.92 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.54: QD2 LEU 108 + HB2 LYS 76 OK 54 99 - 55 - 8660/3.0=19, 9944/3.0=12...(12) QD2 LEU 108 - HB3 LYS 123 poor 6 48 - 12 - 8660/2286=2, ~8541=1...(4) Peak 8655 from cnoeabs.peaks (0.41, 1.46, 31.92 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.88: QG2 VAL 82 + HB2 LYS 76 OK 86 94 - 92 - 8657/1.8=30...(20) QG2 VAL 82 + HB3 LYS 123 OK 15 43 - 34 - 8882/10772=4, 8820/3.0=4...(14) Peak 8657 from cnoeabs.peaks (0.41, 1.86, 31.92 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 82 + HB3 LYS 76 OK 91 94 - 96 - 8655/1.8=39...(22) Peak 8658 from cnoeabs.peaks (0.32, 1.16, 24.82 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 91 + HG2 LYS 76 OK 76 94 - 80 - 8666/3.0=21, 8663/3.0=20...(23) QD2 LEU 42 + HG2 LYS 76 OK 39 92 - 42 - 8666/3.0=9, 8663/3.0=8...(12) Peak 8660 from cnoeabs.peaks (0.73, 1.53, 24.82 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.69: QD2 LEU 108 + HG3 LYS 76 OK 56 100 - 56 - 8654/3.0=23, 9944/1.8=12...(13) QD1 LEU 108 + HG3 LYS 76 OK 21 62 - 33 - ~8654=14, ~9944=9...(10) QD2 LEU 108 + HG2 LYS 93 OK 11 86 - 13 - ~10173=3, 8798/11717=2 QD1 LEU 108 - HG2 LYS 93 lone 3 47 - 6 - 10173/1.8=2, 8798/11717=1 Peak 8661 from cnoeabs.peaks (0.32, 1.53, 24.82 ppm; 4.21 A): 3 out of 4 assignments used, quality = 0.94: QD1 ILE 91 + HG3 LYS 76 OK 86 100 - 87 - 8658/1.8=28, 8666/3.0=25...(17) QD2 LEU 42 + HG3 LYS 76 OK 34 77 - 43 - 8658/1.8=14, 8666/3.0=11...(9) QD1 ILE 91 + HG2 LYS 93 OK 33 84 - 39 - 2990/1.8=6, 8980=5...(15) QD2 LEU 42 - HG2 LYS 93 lone 5 60 - 9 - ~8145=2, 8666/2291=1 Peak 8662 from cnoeabs.peaks (0.71, 1.53, 27.80 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.95: QD1 LEU 87 + HD2 LYS 76 OK 78 94 - 83 - ~8665=19, 8660/3.0=17...(19) QD2 LEU 87 + HD2 LYS 76 OK 75 96 - 78 - 8665/1.8=28, 2.1/8890=12...(18) QD2 LEU 108 - HD2 LYS 76 OK 22 62 - 36 - 8654/3.5=11, 9944/3.0=7...(10) Peak 8663 from cnoeabs.peaks (0.32, 1.53, 27.80 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 91 + HD2 LYS 76 OK 79 99 - 79 - 8666/1.8=28, 8658/3.0=19...(21) QD2 LEU 42 + HD2 LYS 76 OK 30 81 - 37 - 8666/1.8=12, 8658/3.0=10...(11) Peak 8664 from cnoeabs.peaks (0.43, 1.53, 27.80 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.78: QG2 VAL 82 + HD2 LYS 76 OK 65 81 - 79 - 9943/3.0=18, ~9942=17...(17) HG2 LYS 114 + HD2 LYS 76 OK 37 68 - 55 - ~3784=5, ~3784=5...(21) Peak 8665 from cnoeabs.peaks (0.71, 1.34, 27.80 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.94: QD1 LEU 87 + HD3 LYS 76 OK 76 100 - 76 - 8660/3.0=16, 8662/1.8=14...(17) QD2 LEU 87 + HD3 LYS 76 OK 74 100 - 74 - 8662/1.8=19, 8897/3.5=12...(18) Peak 8666 from cnoeabs.peaks (0.32, 1.34, 27.80 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.78: QD1 ILE 91 + HD3 LYS 76 OK 69 98 - 71 - 8663/1.8=24, 8658/3.0=17...(18) QD2 LEU 42 + HD3 LYS 76 OK 29 85 - 34 - 8663/1.8=9, 8658/3.0=9...(10) Peak 8684 from cnoeabs.peaks (2.14, 3.51, 44.31 ppm; 4.90 A): 1 out of 5 assignments used, quality = 0.96: HG2 GLU 81 + HA2 GLY 77 OK 96 100 - 96 - 8769=45, 1.8/8771=43...(14) HB3 GLN 133 - HA2 GLY 77 OK 23 100 - 23 - 8688/1.8=6, 8678/3.0=5...(6) HB2 GLN 133 - HA2 GLY 77 OK 23 100 - 23 - 8688/1.8=6, 8678/3.0=5...(6) HG3 PRO 118 - HA2 GLY 77 lone 7 99 - 7 - 2466/8771=2, 2445/9994=1 HG2 GLN 111 - HA2 GLY 77 lone 4 77 - 5 - 11483/10258=2 Peak 8685 from cnoeabs.peaks (1.73, 3.51, 44.31 ppm; 4.47 A): 2 out of 9 assignments used, quality = 0.99: HB3 GLU 81 + HA2 GLY 77 OK 91 98 - 93 - 3.0/8771=31, 3.0/8769=30...(19) HB2 GLU 81 + HA2 GLY 77 OK 89 94 - 94 - 9994=33, 3.0/8771=31...(20) HB3 ARG 144 - HA2 GLY 77 OK 35 100 - 35 - 4893/1.8=7, 3.0/2341=6...(13) HG LEU 66 - HA2 GLY 77 OK 19 92 - 20 - 2.1/8686=14, 8689/1.8=2, ~6824=1 HB2 ARG 49 - HA2 GLY 77 OK 18 89 - 21 - 3.0/10938=9, 8697/3.6=5...(5) HD2 LYS 36 - HA2 GLY 77 OK 14 100 - 14 - 10782/3.6=3, 9994=2...(6) HG3 ARG 140 - HA2 GLY 77 lone 5 92 - 6 - 8697/3.6=2, 8689/1.8=1 HB3 ARG 109 - HA2 GLY 77 lone 3 85 - 3 - HG3 ARG 89 - HA2 GLY 77 lone 2 94 - 2 - Peak 8686 from cnoeabs.peaks (0.65, 3.51, 44.31 ppm; 5.48 A): 0 out of 2 assignments used, low quality = 0.37: QD2 LEU 66 - HA2 GLY 77 OK 23 72 - 31 - 8701/3.6=22, 2.1/8685=3...(5) QD2 LEU 39 - HA2 GLY 77 OK 18 77 - 23 - 8701/3.6=21 Peak 8687 from cnoeabs.peaks (0.79, 3.51, 44.31 ppm; 6.42 A): 2 out of 5 assignments used, quality = 0.95: QD2 LEU 126 + HA2 GLY 77 OK 82 100 - 83 - 2.1/10258=39, ~8673=38...(8) QG2 THR 74 + HA2 GLY 77 OK 74 99 - 75 - ~8681=31, ~8682=25...(9) QD1 LEU 79 - HA2 GLY 77 OK 25 96 - 26 - 8700/3.6=7, 8672/3.0=6...(6) QG1 VAL 80 - HA2 GLY 77 OK 18 89 - 20 - 9989/8771=6, 9968/8769=5...(5) QD2 LEU 95 - HA2 GLY 77 OK 14 85 - 16 - 8700/3.6=7, 8672/3.0=3...(4) Peak 8688 from cnoeabs.peaks (2.13, 4.35, 44.31 ppm; 5.07 A): 2 out of 7 assignments used, quality = 0.96: HG2 GLU 81 + HA3 GLY 77 OK 93 96 - 96 - 8769/1.8=41, ~8771=35...(14) HB2 GLU 75 + HA3 GLY 77 OK 37 72 - 52 - ~8683=19, ~8676=13...(8) HB2 GLN 133 - HA3 GLY 77 OK 28 89 - 32 - 8688=7, 1.8/8688=6...(7) HB3 GLN 133 - HA3 GLY 77 OK 27 85 - 32 - 8688=7, 1.8/8688=6...(7) HB VAL 73 - HA3 GLY 77 OK 23 62 - 37 - ~8675=22, ~9920=15, ~8687=4 HG3 PRO 118 - HA3 GLY 77 lone 7 100 - 7 - 8688=2, 8684/1.8=2, 2466/9973=1 HG2 GLN 111 - HA3 GLY 77 lone 3 98 - 3 - Peak 8689 from cnoeabs.peaks (1.74, 4.35, 44.31 ppm; 4.52 A): 2 out of 9 assignments used, quality = 0.99: HB2 GLU 81 + HA3 GLY 77 OK 96 100 - 96 - 9994/1.8=37, 3.0/8773=23...(19) HB3 GLU 81 + HA3 GLY 77 OK 78 81 - 96 - ~9994=27, 3.0/8773=23...(20) HB3 ARG 144 - HA3 GLY 77 OK 37 92 - 40 - 8689=7, 1.8/4884=6...(14) HB2 ARG 49 - HA3 GLY 77 OK 24 100 - 24 - ~10938=6, 8697/3.6=6...(5) HD2 LYS 36 - HA3 GLY 77 OK 12 96 - 13 - 9994/1.8=3, 10782/3.6=2...(6) HG LEU 66 - HA3 GLY 77 OK 12 68 - 18 - ~8686=12, 8685/1.8=2...(4) HG3 ARG 140 - HA3 GLY 77 lone 7 100 - 7 - 8697/3.6=3, 8689=1 HB ILE 83 - HA3 GLY 77 lone 6 62 - 9 - ~10777=5, 8697/3.6=2, 8677/3.0=1 HG3 ARG 89 - HA3 GLY 77 lone 1 72 - 2 - Peak 8690 from cnoeabs.peaks (2.28, 3.51, 44.31 ppm; 5.38 A): 5 out of 9 assignments used, quality = 0.91: HG3 GLU 81 + HA2 GLY 77 OK 79 81 - 96 - 1.8/8769=44, 8771=33...(16) HG3 GLU 75 + HA2 GLY 77 OK 27 72 - 38 - ~8676=11, 3.0/8684=8...(8) HG3 GLU 142 + HA2 GLY 77 OK 25 100 - 25 - 4.0/10938=10, 9928/1.8=8...(4) HG2 GLU 90 + HA2 GLY 77 OK 13 100 - 13 - ~9928=6, 9928/1.8=3, 8679/3.0=2 HG2 GLU 131 + HA2 GLY 77 OK 12 100 - 12 - 9928/1.8=4, 8679/3.0=4 HB3 MET 113 - HA2 GLY 77 lone 10 98 - 10 - 9928/1.8=3, ~9928=3, 8679/3.0=2 HG2 GLN 62 - HA2 GLY 77 lone 3 77 - 4 - HG3 PRO 129 - HA2 GLY 77 lone 3 72 - 4 - 9928/1.8=2 HG3 GLN 62 - HA2 GLY 77 lone 2 62 - 4 - Peak 8704 from cnoeabs.peaks (0.65, 3.08, 43.05 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.58: QD1 LEU 126 + HA2 GLY 78 OK 58 77 - 75 - 10256=23, 10253/1.8=21...(10) Peak 8705 from cnoeabs.peaks (0.78, 3.08, 43.05 ppm; 4.26 A): 4 out of 5 assignments used, quality = 0.98: QG2 THR 74 + HA2 GLY 78 OK 75 94 - 79 - 3.2/8607=22, ~8558=15...(12) QD2 LEU 126 + HA2 GLY 78 OK 58 68 - 86 - 2.1/8704=36, ~10253=21...(12) QD2 LEU 95 + HA2 GLY 78 OK 54 100 - 54 - ~8708=10, 8710/1.8=7...(16) QD1 LEU 79 + HA2 GLY 78 OK 53 98 - 54 - 2397/3.6=16, ~8711=11...(10) QD2 LEU 72 - HA2 GLY 78 poor 8 62 - 12 - 8710/1.8=2, 9954=2...(5) Peak 8706 from cnoeabs.peaks (0.41, 3.08, 43.05 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.55: QG2 VAL 82 + HA2 GLY 78 OK 41 81 - 51 - 9979/3.0=31...(8) QD2 LEU 132 + HA2 GLY 78 OK 23 72 - 32 - 11037/8607=7...(10) Peak 8707 from cnoeabs.peaks (0.09, 3.08, 43.05 ppm; 4.63 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8708 from cnoeabs.peaks (1.70, 4.28, 43.05 ppm; 5.36 A): 2 out of 7 assignments used, quality = 0.58: HB3 LEU 95 + HA3 GLY 78 OK 52 94 - 55 - 1.8/3128=9, 3136=9...(14) HB2 LYS 85 + HA3 GLY 78 OK 12 99 - 12 - 1.8/8709=8 HD2 LYS 86 - HA3 GLY 78 lone 8 98 - 8 - HB ILE 58 - HA3 GLY 78 lone 4 98 - 4 - HG LEU 26 - HA3 GLY 78 lone 3 94 - 3 - HG LEU 97 - HA3 GLY 78 lone 2 77 - 3 - HG3 ARG 141 - HA3 GLY 78 lone 2 72 - 3 - Peak 8709 from cnoeabs.peaks (1.86, 4.28, 43.05 ppm; 5.72 A): 0 out of 7 assignments used, low quality = 0.35: HG LEU 69 - HA3 GLY 78 OK 17 100 - 17 - 8472/10253=4...(4) HB3 LYS 85 - HA3 GLY 78 OK 12 98 - 12 - 1.8/8708=7, 4301/10253=1 HB3 LYS 76 - HA3 GLY 78 OK 11 100 - 11 - 4301/10253=4, 8592/8712=4 HB2 LYS 93 - HA3 GLY 78 poor 8 68 - 12 - 3.4/8708=4, 8592/8712=1...(5) HB2 LYS 48 - HA3 GLY 78 lone 5 77 - 6 - 4.3/6463=3 HB3 GLU 28 - HA3 GLY 78 lone 3 100 - 3 - HB2 ARG 144 - HA3 GLY 78 lone 3 62 - 4 - ~6838=2 Peak 8710 from cnoeabs.peaks (0.77, 4.28, 43.05 ppm; 4.83 A): 4 out of 7 assignments used, quality = 0.95: QG2 THR 74 + HA3 GLY 78 OK 63 72 - 87 - 3.2/11002=23, ~8558=20...(13) QG2 VAL 73 + HA3 GLY 78 OK 51 62 - 82 - 2.1/8712=38, ~8703=27...(6) QD2 LEU 95 + HA3 GLY 78 OK 50 94 - 53 - 3.1/8708=18, 8705/1.8=9...(11) QD1 LEU 79 + HA3 GLY 78 OK 44 81 - 55 - 2.1/8711=19, 2397/3.6=14...(9) QD2 LEU 72 - HA3 GLY 78 OK 21 89 - 24 - 9948/8712=8, 9954/1.8=5...(4) QD1 ILE 136 - HA3 GLY 78 OK 21 68 - 32 - 8705/1.8=10, 3.0/10329=8...(6) QD1 LEU 72 - HA3 GLY 78 OK 16 72 - 22 - 8705/1.8=6, ~9954=5...(7) Peak 8711 from cnoeabs.peaks (0.63, 4.28, 43.05 ppm; 4.27 A): 3 out of 3 assignments used, quality = 0.87: QD1 LEU 126 + HA3 GLY 78 OK 70 85 - 82 - 10256/1.8=27, 10253=26...(11) QD2 LEU 79 + HA3 GLY 78 OK 47 92 - 51 - 6850/3.6=22, 8704/1.8=11...(9) QD2 LEU 64 + HA3 GLY 78 OK 18 99 - 18 - 6850/3.6=7, 8704/1.8=5...(4) Peak 8712 from cnoeabs.peaks (0.10, 4.28, 43.05 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.71: QG1 VAL 73 + HA3 GLY 78 OK 71 92 - 77 - 8561/3.0=34, 8562/3.6=31...(10) Peak 8714 from cnoeabs.peaks (0.41, 3.12, 58.71 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.87: QD2 LEU 132 + HA LEU 79 OK 74 92 - 80 - 8714=26, 8738/3.8=25...(13) QG2 VAL 82 + HA LEU 79 OK 46 57 - 80 - 2.1/8794=33, 8714=24...(10) HG3 LYS 123 + HA LEU 79 OK 11 68 - 16 - 8738/3.8=7, 8741/4.0=3...(4) Peak 8715 from cnoeabs.peaks (0.10, 3.12, 58.71 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.47: QG1 VAL 73 + HA LEU 79 OK 47 92 - 52 - 8562/2.8=21, 8587/3.8=17...(11) Peak 8716 from cnoeabs.peaks (7.15, 0.62, 26.93 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.87: QD TYR 117 + QD2 LEU 79 OK 78 94 - 83 - 8716=45, 2.2/9981=33...(12) QE TYR 115 + QD2 LEU 79 OK 41 96 - 42 - 9929/4.9=13, 9570/8738=8...(8) QD PHE 106 - QD2 LEU 79 poor 10 62 - 16 - 9979/2.1=4, 2.5/2390=2...(6) Peak 8717 from cnoeabs.peaks (6.92, 0.62, 26.93 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.67: QD TYR 112 + QD2 LEU 79 OK 62 85 - 73 - 8717=37, 8719/2.1=15...(16) H LEU 29 + QD2 LEU 79 OK 12 89 - 14 - 4.6/8737=4, 8719/2.1=4 Peak 8718 from cnoeabs.peaks (6.84, 0.62, 26.93 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.61: HZ2 TRP 88 + QD2 LEU 79 OK 61 72 - 84 - 8718=34, 9977/2.1=20...(14) HD22 ASN 54 - QD2 LEU 79 lone 9 100 - 9 - 3.5/8725=1, 9267/8728=1...(4) Peak 8719 from cnoeabs.peaks (6.91, 0.78, 22.56 ppm; 3.60 A): 3 out of 9 assignments used, quality = 0.55: QD TYR 112 + QD1 LEU 79 OK 41 62 - 66 - 8717/2.1=31...(15) QD TYR 112 + QG2 THR 74 OK 14 35 - 41 - ~8560=10, 2.2/11008=5...(13) H LEU 29 + QD1 LEU 79 OK 11 99 - 11 - 8717/2.1=6 QD TYR 112 - QD2 LEU 95 poor 6 47 - 13 - 8717/2402=3, 2.2/11008=2...(5) HE21 GLN 22 - QD1 LEU 79 lone 4 68 - 5 - ~11293=2, ~9939=2 H LEU 29 - QD2 LEU 95 lone 3 83 - 3 - H LEU 29 - QG2 THR 74 lone 2 64 - 3 - HE21 GLN 22 - QG2 THR 74 lone 0 38 - 1 - HE21 GLN 22 - QD2 LEU 95 lone 0 52 - 1 - Peak 8720 from cnoeabs.peaks (6.83, 0.78, 22.56 ppm; 3.15 A): 4 out of 9 assignments used, quality = 0.82: HZ2 TRP 88 + QD1 LEU 79 OK 65 100 - 65 - 2.5/8721=19, 9977=16...(12) QD PHE 67 + QD1 LEU 79 OK 26 96 - 27 - 9977=8, 4.8/8443=3...(9) HZ2 TRP 88 + QD2 LEU 95 OK 20 85 - 24 - 8943=5, 2.5/8721=5...(8) QD PHE 67 + QD2 LEU 95 OK 13 79 - 16 - 9977=4, 4.8/8443=4...(5) HZ2 TRP 88 - QG2 THR 74 poor 9 65 - 14 - 8943=3, 2.5/8721=2, 4.3/9935=1 QD PHE 67 - QG2 THR 74 poor 7 61 - 12 - 9977=2, 4.8/8443=2...(5) HD22 ASN 54 - QD1 LEU 79 lone 5 81 - 6 - 8718/2.1=2 HD22 ASN 54 - QD2 LEU 95 lone 1 64 - 1 - HD22 ASN 54 - QG2 THR 74 lone 1 48 - 1 - Peak 8721 from cnoeabs.peaks (6.43, 0.78, 22.56 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.70: HH2 TRP 88 + QD1 LEU 79 OK 64 96 - 67 - 9975=28, 2.5/8720=14...(13) HH2 TRP 88 + QD2 LEU 95 OK 17 79 - 22 - 9975=9, 2.5/8943=5...(5) HH2 TRP 88 - QG2 THR 74 poor 8 61 - 13 - 9975=3, 2.5/8943=3...(4) Peak 8724 from cnoeabs.peaks (2.75, 1.31, 26.38 ppm; 6.80 A): 2 out of 18 assignments used, quality = 0.98: HG3 MET 113 + HG LEU 79 OK 96 99 - 97 - 9327/2.1=49, ~9326=42...(12) HE2 LYS 76 + HG LEU 87 OK 46 48 - 95 - ~8665=44, ~8662=26...(14) HE3 LYS 76 - HG LEU 87 OK 39 41 - 95 - ~8665=44, ~8662=26...(14) HE2 LYS 76 - HG LEU 79 OK 37 98 - 38 - 8725/2.1=7, ~8725=7...(12) HB2 ASN 96 - HG LEU 79 OK 36 62 - 58 - ~9083=21, ~10120=13...(10) HE3 LYS 76 - HG LEU 79 OK 34 89 - 38 - ~8725=7, 8725/2.1=7...(13) HB3 PHE 43 - HG LEU 79 OK 27 94 - 29 - 3.0/10829=10, ~8618=7...(6) HB2 ASN 54 - HG LEU 79 OK 16 100 - 16 - ~8718=5, 8725/2.1=2...(4) HG3 MET 113 - HG LEU 87 OK 16 49 - 32 - 9327/2393=5, 8894/2.1=5...(11) HB3 PHE 43 - HG LEU 87 OK 14 45 - 31 - ~10827=14, ~11402=8...(4) HE2 LYS 114 - HG LEU 79 OK 12 96 - 12 - 8725/2.1=6, ~11558=1 HB3 ASP 40 - HG LEU 79 lone 8 100 - 8 - 8725/2.1=2, ~9740=1 HB3 ASP 137 - HG LEU 79 lone 7 94 - 7 - 8725/2.1=1, 965/10829=1 HE2 LYS 114 - HG LEU 87 poor 7 47 - 15 - 11058/2.1=4, 8900/2.1=3 HB3 ASP 40 - HG LEU 87 lone 5 52 - 10 - ~8906=4, 8894/2.1=2 HB3 ASP 137 - HG LEU 87 lone 4 45 - 10 - 9708/10129=2...(4) HB2 ASN 54 - HG LEU 87 lone 2 51 - 5 - HB2 ASN 96 - HG LEU 87 lone 2 26 - 6 - Peak 8725 from cnoeabs.peaks (2.76, 0.62, 26.93 ppm; 4.08 A): 5 out of 9 assignments used, quality = 0.92: HG3 MET 113 + QD2 LEU 79 OK 76 89 - 86 - 9327=39, 1.8/9326=35...(16) HE2 LYS 76 + QD2 LEU 79 OK 29 100 - 29 - 8725=6, 1.8/8725=5...(8) HE3 LYS 76 + QD2 LEU 79 OK 28 99 - 29 - 8725=6, 1.8/8725=5...(8) HE2 LYS 114 + QD2 LEU 79 OK 23 100 - 23 - 8140/8716=8, 8725=5...(5) HB3 PHE 43 + QD2 LEU 79 OK 15 77 - 20 - ~10829=6, 8725=3...(6) HB2 ASN 54 - QD2 LEU 79 poor 10 92 - 10 - 3.5/8718=3, 8725=2 HB3 ASP 40 - QD2 LEU 79 lone 7 99 - 7 - 8725=2 HB3 ASP 137 - QD2 LEU 79 lone 4 77 - 6 - 9652/9680=2, 8725=1 HB2 ASP 41 - QD2 LEU 79 lone 1 68 - 2 - Peak 8726 from cnoeabs.peaks (3.23, 0.62, 26.93 ppm; 4.53 A): 3 out of 6 assignments used, quality = 0.94: HB3 TYR 117 + QD2 LEU 79 OK 71 89 - 80 - 2.7/8716=37, 4.5/9981=25...(10) HD3 ARG 124 + QD2 LEU 79 OK 71 85 - 83 - 1.8/9478=23, 8726=20...(22) HG3 MET 46 + QD2 LEU 79 OK 24 77 - 31 - 3.0/10711=21, 8726=6...(4) HD2 ARG 140 - QD2 LEU 79 OK 18 99 - 18 - 8726=3, 1.8/8726=3...(5) HD3 ARG 140 - QD2 LEU 79 OK 14 81 - 17 - 8726=4, 1.8/8726=3...(4) HD3 ARG 89 - QD2 LEU 79 lone 6 94 - 6 - 8726=1 Peak 8727 from cnoeabs.peaks (3.42, 0.62, 26.93 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.84: HB3 TYR 112 + QD2 LEU 79 OK 70 81 - 86 - 2.7/8717=47...(13) HD2 PRO 98 + QD2 LEU 79 OK 45 100 - 45 - 8727=12, 9145/2.1=10...(11) Peak 8728 from cnoeabs.peaks (3.60, 0.62, 26.93 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.85: HA ARG 109 + QD2 LEU 79 OK 75 89 - 85 - 8728=31, 9271/2.1=20...(23) HA LYS 61 + QD2 LEU 79 OK 25 62 - 40 - 8728=8, 5.2/2391=6...(18) HA2 GLY 31 + QD2 LEU 79 OK 18 99 - 18 - 4702/8718=8, 8728=5 Peak 8729 from cnoeabs.peaks (3.99, 0.62, 26.93 ppm; 4.66 A): 2 out of 8 assignments used, quality = 0.96: HA MET 113 + QD2 LEU 79 OK 86 94 - 91 - 9319=36, 3.7/9327=33...(21) HA LEU 69 + QD2 LEU 79 OK 73 96 - 76 - 3.9/8478=16, ~9930=14...(17) HA LYS 114 - QD2 LEU 79 OK 25 94 - 27 - 8729=5, 3715/9327=3...(11) HB3 SER 138 - QD2 LEU 79 OK 23 96 - 23 - 8729=4, 1.8/8729=4...(10) HB2 SER 138 - QD2 LEU 79 OK 22 96 - 23 - 8729=4, 1.8/8729=4...(9) HB3 SER 127 - QD2 LEU 79 OK 20 99 - 20 - 10266/2.1=4, 8729=3...(6) HA GLU 75 - QD2 LEU 79 OK 19 68 - 28 - 3.0/8735=7, ~6793=5...(7) HA GLU 122 - QD2 LEU 79 OK 15 94 - 16 - 10419/8738=2, 8468/2.1=2...(4) Peak 8730 from cnoeabs.peaks (3.02, 0.78, 22.56 ppm; 3.79 A): 3 out of 9 assignments used, quality = 0.50: HE2 LYS 36 + QD1 LEU 79 OK 25 85 - 30 - 8730=9, 1.8/8730=7...(8) HE3 LYS 36 + QD1 LEU 79 OK 24 81 - 30 - 8730=9, 1.8/8730=7...(8) HD3 ARG 35 + QD1 LEU 79 OK 12 85 - 14 - ~8737=6, ~8737=4, 3.8/11558=2 HE2 LYS 36 - QD2 LEU 95 lone 4 68 - 5 - 8730=2, 1.8/8730=1 HE3 LYS 36 - QD2 LEU 95 lone 4 64 - 5 - 8730=2, 1.8/8730=1 HD3 ARG 35 - QD2 LEU 95 lone 3 68 - 5 - 3.8/11558=1 HE2 LYS 36 - QG2 THR 74 lone 2 51 - 3 - HE3 LYS 36 - QG2 THR 74 lone 2 48 - 3 - HD3 ARG 35 - QG2 THR 74 lone 0 51 - 1 - Peak 8732 from cnoeabs.peaks (3.64, 0.78, 22.56 ppm; 3.73 A): 6 out of 9 assignments used, quality = 0.87: HD3 PRO 12 + QD2 LEU 95 OK 55 83 - 66 - 8732=21, 61/2.1=8, ~53=6...(23) HA2 GLY 94 + QD2 LEU 95 OK 37 82 - 46 - 3.5/7119=18, ~9066=9...(10) HA THR 92 + QD2 LEU 95 OK 33 68 - 48 - 4.9/9075=9, 9067/2.1=7...(13) HA2 GLY 94 + QD1 LEU 79 OK 14 98 - 14 - 3.5/7119=7, 8732=3, 3.0/9049=1 HD3 PRO 12 + QD1 LEU 79 OK 11 99 - 11 - 8732=4 HA THR 92 + QD1 LEU 79 OK 11 85 - 13 - 4.9/9075=3, 2.9/9012=1 HA THR 92 - QG2 THR 74 lone 5 51 - 10 - 2.9/9012=2, ~7063=1...(4) HA2 GLY 94 - QG2 THR 74 lone 3 63 - 5 - 3.5/7119=2 HD3 PRO 12 - QG2 THR 74 lone 2 64 - 3 - Peak 8733 from cnoeabs.peaks (3.98, 0.78, 22.56 ppm; 3.53 A): 9 out of 27 assignments used, quality = 0.89: HA LEU 69 + QD1 LEU 79 OK 37 77 - 48 - 2.9/9930=14, 8468=7...(10) HA MET 113 + QD1 LEU 79 OK 32 72 - 44 - ~9323=11, 9319/2.1=11...(11) HA LEU 69 + QD2 LEU 95 OK 25 60 - 42 - 2.9/9930=10, 8468=6...(14) HA GLU 75 + QG2 THR 74 OK 25 56 - 44 - 6794/4.3=15, ~2195=10...(7) HA GLU 75 + QD1 LEU 79 OK 17 92 - 19 - 2.9/6793=6, 9968=3...(6) HB3 SER 127 + QD2 LEU 95 OK 17 85 - 19 - ~10363=8, 10266=3...(4) HB3 SER 138 + QD2 LEU 95 OK 14 60 - 24 - 4.7/9937=4, ~10345=3...(14) HB2 SER 138 + QD2 LEU 95 OK 14 60 - 24 - 4.7/9937=4, ~10345=3...(14) HB3 SER 127 + QD1 LEU 79 OK 13 100 - 13 - 10266=2, 8729/2.1=2...(5) HB3 SER 138 - QD1 LEU 79 poor 10 77 - 13 - 4.7/9937=4, 8729/2.1=2...(5) HB2 SER 138 - QD1 LEU 79 poor 10 77 - 13 - 4.7/9937=4, 8729/2.1=2...(5) HA GLU 75 - QD2 LEU 95 poor 9 74 - 12 - ~11680=4, 2.9/6793=2...(4) HA LEU 69 - QG2 THR 74 poor 8 44 - 19 - 2.9/8466=4, 4.9/8480=3...(7) HB3 SER 127 - QG2 THR 74 poor 8 66 - 12 - 6794/4.3=3, 4.0/7588=2...(4) HA GLU 122 - QD2 LEU 95 poor 7 56 - 13 - ~9460=4, 3.0/9936=2...(5) HA LYS 114 - QD1 LEU 79 lone 6 72 - 9 - 8729/2.1=2 HA GLU 122 - QD1 LEU 79 lone 6 72 - 8 - 3.0/9936=1, 8468=1, 8729/2.1=1 HA MET 113 - QG2 THR 74 poor 6 41 - 14 - 3.0/9316=5, 11700/4.3=3...(4) HA MET 113 - QD2 LEU 95 lone 5 56 - 9 - 3.0/9316=2, 3.7/10255=2 HA LYS 114 - QD2 LEU 95 lone 2 56 - 4 - HB3 SER 138 - QG2 THR 74 lone 2 44 - 5 - 4.7/9937=3 HB2 SER 138 - QG2 THR 74 lone 2 44 - 5 - 4.7/9937=3 HA3 GLY 143 - QD1 LEU 79 lone 2 72 - 3 - ~11636=1 HA GLU 122 - QG2 THR 74 lone 2 41 - 5 - 4.9/8618=1 HA3 GLY 143 - QD2 LEU 95 lone 2 56 - 3 - 9754/3.9=1 HA LYS 114 - QG2 THR 74 lone 2 41 - 4 - HA3 GLY 143 - QG2 THR 74 lone 1 41 - 2 - Peak 8734 from cnoeabs.peaks (2.25, 0.62, 26.93 ppm; 3.91 A): 3 out of 3 assignments used, quality = 0.92: HG2 MET 113 + QD2 LEU 79 OK 87 100 - 87 - 9326=43, 1.8/9327=38...(17) HG3 GLU 90 + QD2 LEU 79 OK 25 100 - 25 - 8734=7, 3718/9327=5...(6) HG3 PRO 129 + QD2 LEU 79 OK 16 89 - 18 - 9532/9981=6, 8734=3...(6) Peak 8735 from cnoeabs.peaks (1.98, 0.62, 26.93 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.94: HB3 ARG 124 + QD2 LEU 79 OK 83 98 - 85 - 3.8/9478=18, 3.8/8726=12...(31) QE MET 113 + QD2 LEU 79 OK 65 72 - 90 - 3.3/9327=37, 3.3/9326=33...(20) HB3 GLU 75 - QD2 LEU 79 OK 29 100 - 29 - 8735=11, 3.0/8729=3...(8) HB VAL 63 - QD2 LEU 79 OK 28 81 - 35 - 2.1/9866=20...(5) QE MET 59 - QD2 LEU 79 OK 18 85 - 21 - 10566/2.1=3, 10409=3...(7) HB2 GLU 142 - QD2 LEU 79 OK 16 98 - 16 - 8735=6, 4843/9323=1, ~9559=1 Peak 8736 from cnoeabs.peaks (1.76, 0.62, 26.93 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 95 + QD2 LEU 79 OK 94 100 - 94 - 8736=21, ~3140=15...(30) HB ILE 83 + QD2 LEU 79 OK 91 99 - 93 - ~9075=18, 9996/2.1=17...(29) HB3 ARG 35 - QD2 LEU 79 OK 35 81 - 43 - 2.9/8737=23, 1.8/11004=7...(8) HB2 PRO 12 - QD2 LEU 79 OK 22 100 - 22 - ~8732=4, 8736=4, ~8732=3...(7) Peak 8737 from cnoeabs.peaks (0.95, 0.62, 26.93 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.51: HG3 ARG 35 + QD2 LEU 79 OK 30 94 - 32 - 8737=14, 2.9/11004=5...(7) QD1 LEU 29 + QD2 LEU 79 OK 22 92 - 24 - 8580/8579=6, 4.6/8717=5...(5) QG2 THR 51 + QD2 LEU 79 OK 11 96 - 11 - 8580/8579=3 Peak 8738 from cnoeabs.peaks (0.40, 0.62, 26.93 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.79: QD2 LEU 132 + QD2 LEU 79 OK 75 100 - 75 - 8738=29, 10979/2.1=14...(21) HG3 LYS 123 + QD2 LEU 79 OK 18 92 - 19 - 8738=10, 8741/2.1=3...(4) Peak 8739 from cnoeabs.peaks (0.11, 0.62, 26.93 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.93: QG1 VAL 73 + QD2 LEU 79 OK 93 100 - 93 - 8715/3.8=40, 8587=36...(23) Peak 8740 from cnoeabs.peaks (0.09, 0.78, 22.56 ppm; 3.43 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8741 from cnoeabs.peaks (0.40, 0.78, 22.56 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.90: QD2 LEU 132 + QD1 LEU 79 OK 79 100 - 79 - 8738/2.1=35...(23) QD2 LEU 132 + QD2 LEU 95 OK 28 85 - 33 - 8738/2402=3, ~10423=3...(16) QD2 LEU 132 + QG2 THR 74 OK 20 66 - 31 - ~9582=6, 11037/3.2=5...(9) HG3 LYS 123 + QD1 LEU 79 OK 19 92 - 20 - 8738/2.1=9, 1.8/8615=2...(5) HG3 LYS 123 - QG2 THR 74 lone 5 56 - 10 - 1.8/8615=3 HG3 LYS 123 - QD2 LEU 95 lone 4 74 - 5 - Peak 8742 from cnoeabs.peaks (0.67, 3.13, 67.65 ppm; 3.48 A): 4 out of 4 assignments used, quality = 0.92: QD1 ILE 83 + HA VAL 80 OK 72 100 - 72 - 10029=12, 9984/3.2=12...(20) QD2 LEU 66 + HA VAL 80 OK 44 96 - 46 - 9910/3.6=14, 2.1/9983=8...(13) QD2 LEU 39 + HA VAL 80 OK 36 94 - 38 - 862=9, 2.1/2412=5...(15) HB3 LEU 116 + HA VAL 80 OK 18 99 - 18 - 3.1/9373=4, 3.2/9376=4...(4) Peak 8743 from cnoeabs.peaks (0.42, 3.13, 67.65 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.89: QG2 VAL 82 + HA VAL 80 OK 89 98 - 91 - 8776/3.6=39, 4.4/2411=25...(23) Peak 8744 from cnoeabs.peaks (1.30, 3.13, 67.65 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.96: HG12 ILE 83 + HA VAL 80 OK 85 100 - 85 - 2.1/8742=24, 3.0/2412=18...(19) HG LEU 79 + HA VAL 80 OK 72 96 - 74 - ~6860=17, 2.1/2390=12...(31) HG LEU 87 - HA VAL 80 OK 29 100 - 29 - 10056/8743=6, 2359/4.8=5...(13) HG3 LYS 24 - HA VAL 80 OK 29 100 - 29 - 4.0/8746=6, 8760/3.2=6...(7) HG13 ILE 58 - HA VAL 80 OK 22 77 - 28 - ~8272=8, 3.2/9945=4...(11) Peak 8745 from cnoeabs.peaks (1.52, 3.13, 67.65 ppm; 3.92 A): 6 out of 8 assignments used, quality = 0.90: QB ALA 135 + HA VAL 80 OK 69 100 - 69 - 9646=28, 9627/3.2=18...(16) HD2 LYS 76 + HA VAL 80 OK 29 96 - 30 - ~9949=7, 8753/3.2=5...(9) HG3 LYS 76 + HA VAL 80 OK 28 100 - 28 - 8753/3.2=6, 11717/8743=5...(11) HG2 LYS 93 + HA VAL 80 OK 20 100 - 19 - 8753/3.2=4, 11717/8743=2...(5) HB2 LYS 123 + HA VAL 80 OK 13 89 - 14 - 8753/3.2=4, 4107/4.9=2...(6) HG3 PRO 57 + HA VAL 80 OK 10 94 - 11 - 8753/3.2=3, ~8264=1 HG3 LYS 85 - HA VAL 80 lone 8 98 - 8 - 8753/3.2=1...(3) HB2 LEU 29 - HA VAL 80 lone 6 100 - 6 - 8753/3.2=1 Peak 8746 from cnoeabs.peaks (4.06, 3.13, 67.65 ppm; 5.15 A): 5 out of 5 assignments used, quality = 0.77: HA LEU 26 + HA VAL 80 OK 38 85 - 44 - 10545/3.2=14, ~8759=8...(11) HA LYS 24 + HA VAL 80 OK 37 100 - 37 - 11346/3.6=20, 4.0/8744=6...(6) HD3 PRO 118 + HA VAL 80 OK 20 99 - 21 - 8748/3.2=5, ~8747=2...(9) HA LYS 34 + HA VAL 80 OK 16 72 - 21 - 3.0/9965=10, 8748/3.2=4...(4) HD2 PRO 33 + HA VAL 80 OK 12 89 - 14 - 433/9965=3, 6161/9965=3...(5) Peak 8747 from cnoeabs.peaks (3.84, 0.89, 24.85 ppm; 4.07 A): 3 out of 7 assignments used, quality = 0.96: HB2 SER 127 + QG2 VAL 80 OK 83 100 - 83 - 1.8/9951=36, 9520=24...(11) HA MET 68 + QG2 VAL 80 OK 54 100 - 54 - 3.0/2427=7, ~8430=5...(27) HA GLN 133 + QG2 VAL 80 OK 46 81 - 56 - 2.8/9957=23, 9617=10...(13) HA ALA 104 - QG2 VAL 80 OK 42 99 - 42 - ~8760=16, 2.1/8754=6...(8) HB2 SER 100 - QG2 VAL 80 OK 26 72 - 36 - 3.0/8762=14, 4.1/8763=6...(7) HD2 PRO 118 - QG2 VAL 80 OK 18 62 - 29 - 4.6/9955=8, 1.8/8748=5...(8) HA LEU 72 - QG2 VAL 80 OK 16 98 - 16 - 3.0/2427=2, 8508/8755=2...(4) Peak 8748 from cnoeabs.peaks (4.07, 0.89, 24.85 ppm; 3.10 A): 5 out of 8 assignments used, quality = 0.83: HA LEU 132 + QG2 VAL 80 OK 58 85 - 68 - 11616=16, 3.8/8756=15...(14) HA LEU 26 + QG2 VAL 80 OK 36 99 - 36 - 10545=11, 3.0/9948=6...(8) HD3 PRO 118 + QG2 VAL 80 OK 17 100 - 17 - 4.6/9955=4, 1.8/8747=2...(5) HA LYS 24 + QG2 VAL 80 OK 14 94 - 15 - 11346/4.4=5, 8746/3.2=3...(4) HA LYS 34 + QG2 VAL 80 OK 14 94 - 15 - 10865=2, 4.0/9948=2...(5) HA GLU 90 - QG2 VAL 80 poor 9 85 - 11 - 8958=2, 2915/2.1=1 HA VAL 53 - QG2 VAL 80 lone 6 72 - 9 - 4503/8756=1 HD2 PRO 33 - QG2 VAL 80 lone 4 62 - 6 - 2.3/8752=1, 8746/3.2=1 Peak 8750 from cnoeabs.peaks (2.45, 0.89, 24.85 ppm; 4.17 A): 2 out of 5 assignments used, quality = 0.96: HB3 GLU 131 + QG2 VAL 80 OK 87 99 - 88 - 1.8/10405=17...(25) HG3 GLU 131 + QG2 VAL 80 OK 72 92 - 78 - 9990/2.1=15...(18) HG2 MET 11 - QG2 VAL 80 OK 19 89 - 21 - 9990/2.1=4, 3.0/2427=3...(7) HG3 GLU 28 - QG2 VAL 80 OK 14 98 - 14 - 9990/2.1=4, 9502/9521=2 HB3 PRO 33 - QG2 VAL 80 poor 7 62 - 12 - 2.3/8752=2, ~8746=1...(4) Peak 8751 from cnoeabs.peaks (2.27, 0.89, 24.85 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.98: HG2 GLU 131 + QG2 VAL 80 OK 86 89 - 97 - 1.8/8750=27, ~9990=26...(20) HG3 PRO 129 + QG2 VAL 80 OK 67 100 - 67 - 3.8/9952=28...(17) HB3 MET 113 + QG2 VAL 80 OK 55 96 - 57 - 9324/8756=16...(16) HG2 MET 113 - QG2 VAL 80 OK 33 68 - 48 - 3.3/9332=10...(9) HG3 GLU 142 - QG2 VAL 80 OK 29 89 - 33 - 5.0/9958=10...(11) HG3 GLU 90 - QG2 VAL 80 OK 21 92 - 23 - 3.8/8958=6, 9576/8756=2...(9) HG2 GLU 90 - QG2 VAL 80 OK 18 92 - 20 - 3.8/8958=6, 8758/2.1=2...(5) Peak 8752 from cnoeabs.peaks (2.08, 0.89, 24.85 ppm; 4.37 A): 4 out of 10 assignments used, quality = 0.97: HB2 GLU 131 + QG2 VAL 80 OK 81 89 - 91 - 2.9/8750=20...(23) HB2 LEU 26 + QG2 VAL 80 OK 49 98 - 51 - 3.0/10545=15...(8) HB3 GLN 62 + QG2 VAL 80 OK 46 89 - 52 - 1.8/8342=17, 8759/2.1=16...(11) HB2 PRO 129 + QG2 VAL 80 OK 44 100 - 44 - 2.3/9952=22, 2.3/8751=6...(9) HB3 LYS 61 - QG2 VAL 80 OK 33 99 - 33 - 1.8/9987=6, 4.6/8763=5...(9) HG2 GLU 122 - QG2 VAL 80 OK 32 100 - 32 - 3.0/8753=10, 3.0/9987=6...(7) HG2 PRO 118 - QG2 VAL 80 OK 22 89 - 25 - 2.3/8748=5, 2.3/8747=3...(5) HB3 LYS 36 - QG2 VAL 80 OK 19 72 - 27 - 10613/8764=7, 3.6/2427=3...(10) HD2 ARG 49 - QG2 VAL 80 OK 18 94 - 19 - 3.7/9949=6, 3.0/9948=3 HG3 PRO 33 - QG2 VAL 80 OK 15 81 - 18 - ~8746=2, ~8746=2...(5) Peak 8753 from cnoeabs.peaks (1.52, 0.89, 24.85 ppm; 3.28 A): 5 out of 8 assignments used, quality = 0.79: QB ALA 135 + QG2 VAL 80 OK 55 100 - 55 - 9627/2.1=18, 9646/3.2=12...(13) HG3 LYS 76 + QG2 VAL 80 OK 21 100 - 21 - 3.0/9949=8, 8745/3.2=4...(5) HD2 LYS 76 + QG2 VAL 80 OK 21 96 - 22 - 1.8/9949=10, 8745/3.2=3...(6) HG2 LYS 93 + QG2 VAL 80 OK 15 100 - 15 - 8745/3.2=2, 3047/2.1=2...(5) HB2 LYS 123 + QG2 VAL 80 OK 12 89 - 13 - 3.0/8756=3, 4111/8756=3...(4) HG3 PRO 57 - QG2 VAL 80 lone 8 94 - 8 - 8745/3.2=2, 2.3/8264=1 HB2 LEU 29 - QG2 VAL 80 lone 5 100 - 5 - HG3 LYS 85 - QG2 VAL 80 lone 4 98 - 4 - 8745/3.2=1 Peak 8754 from cnoeabs.peaks (1.27, 0.89, 24.85 ppm; 3.58 A): 6 out of 7 assignments used, quality = 0.92: HB2 LEU 132 + QG2 VAL 80 OK 74 92 - 80 - 3.2/8756=24, 3.2/8755=17...(16) QB ALA 104 + QG2 VAL 80 OK 28 77 - 36 - 8760/2.1=18, 2.9/9193=5...(6) QG2 THR 99 + QG2 VAL 80 OK 24 85 - 28 - 4.0/8763=4, 3.2/9148=4...(8) HG2 LYS 61 + QG2 VAL 80 OK 19 99 - 19 - 3.0/9987=3, 3.0/8752=3...(6) HG3 LYS 61 + QG2 VAL 80 OK 16 85 - 19 - 3.0/9987=3, 3.0/8752=3...(7) HB3 LEU 97 + QG2 VAL 80 OK 14 77 - 18 - ~10110=2, 4504/8756=1...(4) QG2 THR 102 - QG2 VAL 80 lone 8 100 - 7 - Peak 8755 from cnoeabs.peaks (0.59, 0.89, 24.85 ppm; 2.84 A): 5 out of 5 assignments used, quality = 0.89: QD1 LEU 132 + QG2 VAL 80 OK 74 100 - 74 - 9600=21, 2.1/8756=20...(18) QD1 LEU 66 + QG2 VAL 80 OK 22 72 - 30 - 2.1/9984=8, 9983/3.2=3...(10) QG2 ILE 58 + QG2 VAL 80 OK 22 81 - 27 - 8272=9, 10024/9984=4...(6) QG1 VAL 71 + QG2 VAL 80 OK 21 94 - 23 - ~8505=2, 9945/3.2=2...(6) QD1 ILE 56 + QG2 VAL 80 OK 11 92 - 12 - 10595/10908=2, 4.2/8762=1 Peak 8756 from cnoeabs.peaks (0.41, 0.89, 24.85 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.88: QD2 LEU 132 + QG2 VAL 80 OK 80 92 - 87 - 2.1/8755=23, 2.1/9986=16...(25) QG2 VAL 82 + QG2 VAL 80 OK 26 57 - 46 - 2.1/9949=13, 8776/4.4=10...(10) HG3 LYS 123 + QG2 VAL 80 OK 16 68 - 23 - 3.0/8753=4, 4515/8755=2...(11) Peak 8757 from cnoeabs.peaks (2.74, 0.80, 21.79 ppm; 5.37 A): 8 out of 20 assignments used, quality = 0.84: HG3 MET 113 + QG1 VAL 80 OK 32 98 - 33 - ~9332=8, 5.2/9964=7...(9) HB3 TYR 70 + QG1 VAL 80 OK 31 62 - 50 - 3.0/8761=30, ~2426=5...(10) HE2 LYS 76 + QG1 VAL 80 OK 20 68 - 29 - ~9949=12, ~9986=6...(4) HB2 PHE 38 + QG1 VAL 80 OK 19 62 - 31 - 3.2/9960=26, ~9956=3 HE2 LYS 76 + QD2 LEU 126 OK 18 41 - 45 - ~2308=5, ~2297=5...(18) HB2 ASN 96 + QG1 VAL 80 OK 14 96 - 15 - 3.0/9083=7, 1.8/10120=2...(4) HB2 PHE 38 + QD2 LEU 126 OK 14 37 - 38 - ~4739=17, 3.2/9960=15, ~11078=9 HG3 MET 113 + QD2 LEU 126 OK 10 67 - 15 - 5.2/9964=4, ~9336=2...(5) HB2 ASN 96 - QD2 LEU 126 poor 7 65 - 10 - 3.0/9083=6, 1.8/10120=2 HB3 ASP 137 - QG1 VAL 80 lone 7 100 - 7 - 9708/2.1=4 HB3 ASP 40 - QG1 VAL 80 lone 6 85 - 7 - ~6277=4 HB3 ASP 137 - QD2 LEU 126 lone 5 71 - 7 - 9707/2.1=2, ~9710=1, ~9710=1 HB3 TYR 70 - QD2 LEU 126 lone 4 37 - 9 - 3.0/8761=6 HE2 LYS 114 - QD2 LEU 126 lone 3 37 - 9 - ~3801=2, ~3790=2 HB3 PHE 43 - QG1 VAL 80 lone 3 100 - 3 - HE2 LYS 114 - QG1 VAL 80 lone 3 62 - 5 - HB2 ASN 54 - QG1 VAL 80 lone 2 96 - 2 - HB3 ASP 40 - QD2 LEU 126 lone 2 54 - 3 - HB3 PHE 43 - QD2 LEU 126 lone 1 71 - 2 - HB2 ASN 54 - QD2 LEU 126 lone 1 65 - 2 - Peak 8758 from cnoeabs.peaks (2.27, 0.80, 21.79 ppm; 5.00 A): 4 out of 14 assignments used, quality = 0.93: HG2 GLU 131 + QG1 VAL 80 OK 79 89 - 89 - 1.8/9990=26...(16) HG3 PRO 129 + QG1 VAL 80 OK 34 100 - 34 - 2.3/8759=8, 8751/2.1=7...(11) HB3 MET 113 + QG1 VAL 80 OK 31 96 - 32 - 4.1/9964=7, 3.0/8757=7...(9) HG2 GLU 131 + QD2 LEU 126 OK 26 57 - 45 - 1.8/9562=10, 10406/2.1=9...(8) HG2 MET 113 - QG1 VAL 80 OK 21 68 - 31 - 1.8/8757=8, ~9332=7...(8) HG3 GLU 142 - QD2 LEU 126 OK 18 57 - 32 - ~11582=7, ~10683=3...(9) HG3 GLU 142 - QG1 VAL 80 OK 13 89 - 15 - 8751/2.1=2, 4465/9990=2...(6) HG2 GLU 90 - QG1 VAL 80 lone 9 92 - 10 - 8751/2.1=2, ~8751=1, ~8751=1 HB3 MET 113 - QD2 LEU 126 poor 9 65 - 14 - 4.1/9964=5, 3.0/8757=3...(4) HG3 GLU 90 - QG1 VAL 80 lone 8 92 - 8 - 8751/2.1=2, ~8751=1, ~8751=1 HG3 PRO 129 - QD2 LEU 126 lone 6 71 - 9 - 3.8/9993=1, 2.3/8759=1 HG2 MET 113 - QD2 LEU 126 poor 5 41 - 13 - 5.2/9964=4, 1.8/8757=3...(4) HG2 GLU 90 - QD2 LEU 126 lone 3 60 - 5 - 10252/3.9=1 HG3 GLU 90 - QD2 LEU 126 lone 2 60 - 3 - Peak 8759 from cnoeabs.peaks (2.07, 0.80, 21.79 ppm; 4.02 A): 5 out of 18 assignments used, quality = 0.79: HB2 LEU 26 + QG1 VAL 80 OK 43 96 - 45 - ~9948=8, 8752/2.1=8...(10) HB2 PRO 129 + QG1 VAL 80 OK 30 85 - 35 - ~9952=12, 2.3/9993=6...(8) HB3 GLN 62 + QG1 VAL 80 OK 30 100 - 30 - ~8342=10, 3.0/9993=4...(8) HB3 LYS 61 + QG1 VAL 80 OK 17 94 - 18 - 8752/2.1=5, ~9987=3...(6) HG2 GLU 122 + QG1 VAL 80 OK 12 81 - 14 - ~8753=5, ~9987=3...(4) HD2 ARG 49 - QG1 VAL 80 lone 7 99 - 7 - 8752/2.1=3, ~9948=2 HA ARG 35 - QG1 VAL 80 lone 7 89 - 8 - 6234/9960=4, 8752/2.1=2 HB2 PRO 129 - QD2 LEU 126 lone 4 54 - 8 - ~10342=2, ~10259=2, 2.3/9993=1 HB2 LEU 26 - QD2 LEU 126 lone 4 65 - 7 - ~10961=2, ~10960=1 HD2 ARG 49 - QD2 LEU 126 lone 4 68 - 6 - ~10256=3, ~9839=2 HB3 GLN 62 - QD2 LEU 126 lone 4 71 - 5 - ~9494=2 HB2 PRO 52 - QD2 LEU 126 lone 3 48 - 6 - ~11592=2, ~10258=1 HB3 LYS 61 - QD2 LEU 126 lone 2 63 - 4 - HG3 PRO 98 - QG1 VAL 80 lone 2 89 - 2 - HA ARG 35 - QD2 LEU 126 lone 2 57 - 3 - 6234/9960=2 HB2 PRO 52 - QG1 VAL 80 lone 2 77 - 2 - HG3 PRO 98 - QD2 LEU 126 lone 1 57 - 2 - HG2 GLU 122 - QD2 LEU 126 lone 1 51 - 1 - Peak 8760 from cnoeabs.peaks (1.29, 0.80, 21.79 ppm; 4.22 A): 7 out of 12 assignments used, quality = 0.84: HG12 ILE 83 + QG1 VAL 80 OK 49 68 - 73 - 3.0/9996=16, ~9984=13...(19) HG13 ILE 58 + QG1 VAL 80 OK 23 100 - 23 - ~8272=10, ~8755=3...(7) HG12 ILE 58 + QG1 VAL 80 OK 22 96 - 23 - ~8272=10, ~8755=3...(7) QB ALA 104 + QG1 VAL 80 OK 22 85 - 26 - 8744/3.2=5, ~9193=4...(10) HG LEU 87 + QG1 VAL 80 OK 13 85 - 15 - 8744/3.2=4, ~9948=2...(4) HG3 LYS 24 + QG1 VAL 80 OK 12 72 - 17 - 8744/3.2=4, ~9948=3...(6) HG LEU 87 + QD2 LEU 126 OK 12 54 - 22 - ~11144=3, ~10772=3...(10) HG12 ILE 83 - QD2 LEU 126 lone 2 41 - 6 - 3.0/9996=2 HG13 ILE 58 - QD2 LEU 126 lone 2 71 - 3 - 9826/5.0=1 QB ALA 104 - QD2 LEU 126 lone 2 54 - 4 - HG12 ILE 58 - QD2 LEU 126 lone 2 65 - 3 - 9826/5.0=2 HG3 LYS 24 - QD2 LEU 126 lone 1 44 - 3 - Peak 8761 from cnoeabs.peaks (4.33, 0.80, 21.79 ppm; 4.34 A): 0 out of 4 assignments used, low quality = 0.36: HA TYR 70 - QG1 VAL 80 OK 36 94 - 38 - 8480=10, 3.0/8757=6...(14) HA TYR 70 - QD2 LEU 126 poor 7 63 - 12 - 8480=4, 8492/9959=2...(4) HA PRO 12 - QG1 VAL 80 lone 6 94 - 6 - 10226/10297=1, 69/9996=1 HA PRO 12 - QD2 LEU 126 lone 2 63 - 3 - Peak 8762 from cnoeabs.peaks (4.31, 0.89, 24.85 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.51: HA SER 100 + QG2 VAL 80 OK 43 96 - 45 - 3.0/9165=11...(10) HA ILE 56 + QG2 VAL 80 OK 14 100 - 14 - 8761/2.1=3, 4.2/8755=3...(5) HA ARG 89 - QG2 VAL 80 lone 6 62 - 10 - 4.9/8958=4 Peak 8763 from cnoeabs.peaks (7.72, 0.89, 24.85 ppm; 3.81 A): 4 out of 4 assignments used, quality = 0.94: H LEU 132 + QG2 VAL 80 OK 81 94 - 86 - 4.4/8756=19, 9548=17...(17) H SER 100 + QG2 VAL 80 OK 39 94 - 42 - 2.9/8762=12, 10165=6...(13) H GLN 62 + QG2 VAL 80 OK 34 89 - 39 - 4.0/8342=9, 2.9/9992=4...(15) HD21 ASN 128 + QG2 VAL 80 OK 24 100 - 24 - 5.6/9523=7, 9961/2.1=3...(7) Peak 8764 from cnoeabs.peaks (6.57, 0.89, 24.85 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.46: QE TYR 117 + QG2 VAL 80 OK 46 92 - 50 - 9571/8756=15, 10299=15...(9) Peak 8765 from cnoeabs.peaks (6.64, 0.80, 21.79 ppm; 3.17 A): 0 out of 4 assignments used, low quality = 0.32: HD21 ASN 84 - QG1 VAL 80 OK 32 94 - 34 - 1.7/8766=25, 3.5/8852=4...(4) HD21 ASN 84 - QD2 LEU 126 lone 4 63 - 6 - 1.7/8766=3, 8848/9627=1 HE22 GLN 111 - QG1 VAL 80 lone 1 85 - 1 - HE22 GLN 111 - QD2 LEU 126 lone 0 54 - 1 - Peak 8766 from cnoeabs.peaks (7.44, 0.80, 21.79 ppm; 3.12 A): 0 out of 4 assignments used, low quality = 0.44: HD22 ASN 84 - QG1 VAL 80 OK 37 98 - 38 - 1.7/8765=29, 3.5/8852=4...(4) H ILE 101 - QG1 VAL 80 OK 11 100 - 11 - 7192/2.1=2, 10193/8760=2...(4) HD22 ASN 84 - QD2 LEU 126 lone 4 67 - 6 - 1.7/8765=4 H ILE 101 - QD2 LEU 126 lone 1 70 - 2 - Peak 8767 from cnoeabs.peaks (8.49, 1.74, 29.11 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.83: H VAL 80 + HB2 GLU 81 OK 78 100 - 78 - 3.5/2441=27, ~2448=17...(13) H VAL 80 + HD2 LYS 36 OK 23 67 - 34 - 6863/1.8=9, 3.5/2441=7...(7) Peak 8768 from cnoeabs.peaks (4.36, 2.14, 35.27 ppm; 3.91 A): 4 out of 4 assignments used, quality = 0.92: HA3 GLY 77 + HG2 GLU 81 OK 85 100 - 85 - 1.8/8769=31, 8773/1.8=23...(14) HA ARG 144 + HG2 GLU 81 OK 27 99 - 28 - 8773/1.8=7, 4877/3.0=4...(11) HA ASP 65 + HG2 GLU 81 OK 20 100 - 20 - 3.6/2461=5, 8773/1.8=4...(4) HB THR 51 + HG2 GLU 81 OK 10 96 - 10 - 8773/1.8=3, 2.1/10985=2...(5) Peak 8769 from cnoeabs.peaks (3.51, 2.14, 35.27 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.88: HA2 GLY 77 + HG2 GLU 81 OK 88 98 - 90 - 8771/1.8=36, 9994/3.0=26...(14) HB2 PHE 45 - HG2 GLU 81 lone 7 96 - 7 - 8771/1.8=3, 2344/8768=2 Peak 8770 from cnoeabs.peaks (2.96, 2.14, 35.27 ppm; 5.03 A): 3 out of 9 assignments used, quality = 0.79: HE2 LYS 85 + HG2 GLU 81 OK 68 81 - 83 - 3.5/8780=25...(22) HA VAL 71 + HG2 GLU 81 OK 24 77 - 31 - 3.6/8533=15, 8901/8781=6...(6) HB2 PHE 106 + HG2 GLU 81 OK 12 92 - 13 - 10219/3.7=5, ~3429=3, ~3429=3 HB3 TYR 27 - HG2 GLU 81 lone 8 89 - 9 - 8901/8781=3, ~11175=2 HE2 LYS 93 - HG2 GLU 81 lone 8 85 - 10 - 3.8/8779=2, 2612/8780=2 HE2 LYS 48 - HG2 GLU 81 lone 6 89 - 6 - 8895/8781=2, 2612/8780=1 HE3 LYS 48 - HG2 GLU 81 lone 4 72 - 5 - 2612/8780=1 HB3 PHE 67 - HG2 GLU 81 lone 3 92 - 3 - 8895/8781=1 HB2 TYR 115 - HG2 GLU 81 lone 2 89 - 2 - Peak 8771 from cnoeabs.peaks (3.51, 2.29, 35.27 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.87: HA2 GLY 77 + HG3 GLU 81 OK 87 99 - 88 - 8769/1.8=35, 1.8/8773=26...(16) HB2 PHE 45 - HG3 GLU 81 lone 7 98 - 7 - 8769/1.8=3, 2344/8773=2 Peak 8773 from cnoeabs.peaks (4.36, 2.29, 35.27 ppm; 3.96 A): 4 out of 4 assignments used, quality = 0.94: HA3 GLY 77 + HG3 GLU 81 OK 89 100 - 89 - 1.8/8771=32, 8768/1.8=23...(15) HA ARG 144 + HG3 GLU 81 OK 28 99 - 28 - 8768/1.8=7, 4877/3.0=4...(11) HA ASP 65 + HG3 GLU 81 OK 16 100 - 16 - 8768/1.8=5, 8385/3.0=4 HB THR 51 + HG3 GLU 81 OK 10 96 - 10 - 8768/1.8=4, ~10985=2...(5) Peak 8779 from cnoeabs.peaks (1.53, 2.14, 35.27 ppm; 3.76 A): 6 out of 9 assignments used, quality = 0.87: HG3 LYS 85 + HG2 GLU 81 OK 62 85 - 72 - 1.8/8780=18...(21) HD2 LYS 76 + HG2 GLU 81 OK 30 100 - 30 - 8786/1.8=6, 1.8/8780=5...(7) HG3 LYS 76 + HG2 GLU 81 OK 28 100 - 28 - 1.8/11554=6, 3.0/8780=4...(8) HB2 LEU 29 + HG2 GLU 81 OK 14 96 - 14 - 351=3, 1.8/359=2...(6) QB ALA 135 + HG2 GLU 81 OK 11 94 - 12 - 9655=2, 8786/1.8=2, 10442/8782=1 HG2 LYS 93 + HG2 GLU 81 OK 11 100 - 11 - 11717/8782=2, 8786/1.8=1 HB2 LYS 123 - HG2 GLU 81 poor 10 68 - 15 - 3.0/2456=2, 9465/8781=2...(6) HG2 ARG 55 - HG2 GLU 81 lone 2 68 - 3 - HG3 PRO 57 - HG2 GLU 81 lone 2 77 - 2 - Peak 8780 from cnoeabs.peaks (1.33, 2.14, 35.27 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.86: HG2 LYS 85 + HG2 GLU 81 OK 73 89 - 82 - 1.8/8779=20...(21) HB3 ARG 49 + HG2 GLU 81 OK 29 72 - 40 - 3.7/10983=10, 8777/4.9=5...(16) HD3 LYS 76 + HG2 GLU 81 OK 27 62 - 44 - 1.8/8779=8, 3.0/11554=8...(9) QB ALA 60 - HG2 GLU 81 lone 4 92 - 5 - Peak 8781 from cnoeabs.peaks (0.71, 2.14, 35.27 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 87 + HG2 GLU 81 OK 77 100 - 77 - 8892=14, 8893/1.8=14...(24) QD2 LEU 87 + HG2 GLU 81 OK 68 100 - 68 - 2.1/8892=13, 8899/1.8=13...(19) Peak 8782 from cnoeabs.peaks (0.42, 2.14, 35.27 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.96: QG2 VAL 82 + HG2 GLU 81 OK 96 100 - 96 - 8790/1.8=44, 8776/4.9=33...(23) Peak 8783 from cnoeabs.peaks (0.43, 1.74, 29.11 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 82 + HB2 GLU 81 OK 91 96 - 95 - 6896/4.6=36, 8776/4.0=32...(21) QG2 VAL 82 + HD2 LYS 36 OK 26 61 - 43 - 8801/3.6=8, 11010=5...(14) Peak 8784 from cnoeabs.peaks (0.79, 1.74, 29.11 ppm; 4.95 A): 4 out of 10 assignments used, quality = 0.93: QG1 VAL 80 + HB2 GLU 81 OK 69 99 - 70 - 4.2/2441=26, 4.0/8767=23...(9) QD2 LEU 126 + HB2 GLU 81 OK 50 100 - 50 - 9969/3.0=10, ~9494=10...(11) QD1 LEU 79 + HB2 GLU 81 OK 37 81 - 46 - 9968/3.0=8, 9934/4.0=6...(11) QG1 VAL 80 + HD2 LYS 36 OK 25 64 - 39 - 4.0/8767=7, 4.2/2441=7...(13) QD1 LEU 79 - HD2 LYS 36 OK 24 48 - 52 - 8730/3.0=10, 8730/3.0=10...(18) QG2 THR 74 - HB2 GLU 81 OK 18 89 - 20 - 9968/3.0=4, 8616/8783=2...(8) QD2 LEU 95 - HB2 GLU 81 poor 8 62 - 13 - 9968/3.0=2, 9997/3.0=2...(5) QD2 LEU 126 - HD2 LYS 36 poor 7 67 - 10 - QG2 THR 74 - HD2 LYS 36 lone 3 54 - 6 - QD2 LEU 95 - HD2 LYS 36 lone 3 35 - 7 - 8730/3.0=2, 8730/3.0=1 Peak 8785 from cnoeabs.peaks (0.68, 1.74, 29.11 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.87: QD1 ILE 83 + HB2 GLU 81 OK 47 89 - 53 - 10026/4.0=17...(15) HB3 LEU 116 + HD2 LYS 36 OK 42 63 - 67 - 3.1/10691=14, ~10689=9...(19) QD2 LEU 66 + HB2 GLU 81 OK 39 62 - 62 - 9910/4.0=18, 4.5/2447=11...(19) HB3 LEU 116 + HB2 GLU 81 OK 18 98 - 18 - 3.1/10691=5, ~11089=2...(5) QD2 LEU 66 + HD2 LYS 36 OK 17 35 - 49 - ~9865=7, ~721=5, ~688=5...(20) QD1 ILE 83 - HD2 LYS 36 poor 8 54 - 15 - 10028/8767=3...(3) Peak 8786 from cnoeabs.peaks (1.55, 2.29, 35.27 ppm; 4.03 A): 3 out of 6 assignments used, quality = 0.68: HD2 LYS 85 + HG3 GLU 81 OK 46 62 - 74 - 3.0/8787=14, ~8780=13...(22) HB3 LEU 79 + HG3 GLU 81 OK 27 100 - 27 - 3.0/8787=5, 3.1/9996=5...(9) HG2 ARG 109 + HG3 GLU 81 OK 19 81 - 23 - 4.3/2462=4, 2.8/2465=2...(12) HG3 ARG 55 - HG3 GLU 81 lone 2 96 - 2 - HG3 ARG 145 - HG3 GLU 81 lone 2 62 - 3 - HG2 ARG 55 - HG3 GLU 81 lone 2 92 - 2 - Peak 8787 from cnoeabs.peaks (1.32, 2.29, 35.27 ppm; 4.97 A): 3 out of 4 assignments used, quality = 0.94: HG2 LYS 85 + HG3 GLU 81 OK 89 100 - 89 - 8780/1.8=32, 3.0/8786=20...(22) HG LEU 79 + HG3 GLU 81 OK 35 81 - 43 - 3.0/8786=11, 2.1/9996=9...(10) HG12 ILE 83 + HG3 GLU 81 OK 16 68 - 24 - 8780/1.8=8, ~8785=5...(6) HG3 LYS 24 - HG3 GLU 81 lone 4 62 - 6 - 2813/8789=2, 2805/8789=1 Peak 8789 from cnoeabs.peaks (0.72, 2.29, 35.27 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.85: QD1 LEU 87 + HG3 GLU 81 OK 60 77 - 78 - ~8781=22, 8781/1.8=14...(20) QD2 LEU 87 + HG3 GLU 81 OK 56 81 - 69 - 8781/1.8=19, ~8781=15...(15) QD2 LEU 108 + HG3 GLU 81 OK 11 85 - 13 - 8798/8790=4, 10225/4.9=3 Peak 8790 from cnoeabs.peaks (0.42, 2.29, 35.27 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 82 + HG3 GLU 81 OK 91 98 - 93 - 8782/1.8=31, 8783/3.0=28...(24) Peak 8794 from cnoeabs.peaks (-1.12, 3.12, 58.71 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.84: QG1 VAL 82 + HA LEU 79 OK 84 96 - 87 - 8794=46, 2.1/2478=22...(13) Peak 8795 from cnoeabs.peaks (0.08, 1.37, 30.17 ppm; 5.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8796 from cnoeabs.peaks (0.11, -1.12, 18.38 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 73 + QG1 VAL 82 OK 99 100 - 99 - 10653=50, 8585/2.1=48...(30) Peak 8797 from cnoeabs.peaks (0.10, 0.42, 24.59 ppm; 3.01 A): 1 out of 1 assignment used, quality = 0.76: QG1 VAL 73 + QG2 VAL 82 OK 76 81 - 94 - 8797=48, 2.1/8594=26...(26) Peak 8798 from cnoeabs.peaks (0.73, 0.42, 24.59 ppm; 2.80 A): 2 out of 2 assignments used, quality = 0.74: QD2 LEU 108 + QG2 VAL 82 OK 60 99 - 61 - 8810/2.1=24, 8815/3.2=16...(15) QD1 LEU 108 + QG2 VAL 82 OK 33 77 - 43 - ~8810=12, 3.2/8800=12...(10) Peak 8799 from cnoeabs.peaks (1.08, 0.42, 24.59 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.46: QD2 LEU 26 + QG2 VAL 82 OK 46 94 - 49 - 8799=39, 2.1/8800=5...(7) HG2 ARG 35 - QG2 VAL 82 poor 8 77 - 11 - ~10801=4 Peak 8800 from cnoeabs.peaks (1.20, 0.42, 24.59 ppm; 3.49 A): 3 out of 3 assignments used, quality = 0.65: HB3 LEU 108 + QG2 VAL 82 OK 56 85 - 66 - 3.2/8798=20, ~8810=14...(14) HG13 ILE 56 + QG2 VAL 82 OK 12 99 - 12 - 280/8799=3, 8800=3...(4) HG12 ILE 56 + QG2 VAL 82 OK 10 98 - 11 - 8800=3, 1.8/8800=2...(4) Peak 8801 from cnoeabs.peaks (1.88, 0.42, 24.59 ppm; 3.49 A): 6 out of 7 assignments used, quality = 0.80: HB3 LYS 85 + QG2 VAL 82 OK 30 68 - 45 - 8801=11, ~2580=7...(9) HB2 LYS 36 + QG2 VAL 82 OK 28 100 - 28 - 8801=8, 3.9/10000=4...(10) HB2 ARG 144 + QG2 VAL 82 OK 22 99 - 22 - 8801=6, 4.0/8804=3...(5) HB3 LYS 48 + QG2 VAL 82 OK 22 100 - 22 - 8801=6, 1.8/8801=5...(6) HB2 LYS 48 + QG2 VAL 82 OK 21 94 - 23 - 8801=6, 1.8/8801=5...(6) HB3 LYS 93 + QG2 VAL 82 OK 15 62 - 24 - 2.9/11717=5, 8801=4...(10) HB3 ARG 141 - QG2 VAL 82 lone 2 77 - 2 - Peak 8802 from cnoeabs.peaks (2.12, 0.42, 24.59 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: HB VAL 73 + QG2 VAL 82 OK 100 100 - 100 - 2.1/8797=50, 2.1/8594=46...(26) HB2 GLU 75 + QG2 VAL 82 OK 62 100 - 62 - 4.4/8823=23, 8802=10...(14) HG2 GLN 111 - QG2 VAL 82 OK 21 85 - 24 - 8802=5, 3.9/8822=4...(9) Peak 8803 from cnoeabs.peaks (2.77, 0.42, 24.59 ppm; 4.18 A): 3 out of 8 assignments used, quality = 0.98: HE3 LYS 76 + QG2 VAL 82 OK 84 96 - 87 - 3.0/11718=28...(12) HE2 LYS 76 + QG2 VAL 82 OK 74 85 - 87 - 3.0/11718=28...(13) HE2 LYS 114 + QG2 VAL 82 OK 49 89 - 55 - 8803=11, 3.0/3791=9...(14) HB3 ASN 84 - QG2 VAL 82 OK 19 72 - 26 - 4.0/9981=11, 4.7/9980=8...(4) HB3 ASP 40 - QG2 VAL 82 OK 12 68 - 18 - 3.3/9980=3, 8803=2...(5) HG3 GLN 111 - QG2 VAL 82 poor 8 77 - 10 - 1.8/8802=4, 3.9/8822=3, ~6891=1 HB2 ASP 41 - QG2 VAL 82 lone 5 99 - 5 - HB3 TYR 119 - QG2 VAL 82 lone 3 68 - 5 - ~3987=1 Peak 8804 from cnoeabs.peaks (3.19, 0.42, 24.59 ppm; 3.23 A): 1 out of 6 assignments used, quality = 0.93: HA VAL 73 + QG2 VAL 82 OK 93 100 - 93 - 8583=38, 3.2/8585=25...(27) HD3 ARG 144 - QG2 VAL 82 OK 19 100 - 19 - 8804=6, 1.8/8804=4...(6) HD2 ARG 144 - QG2 VAL 82 OK 19 100 - 19 - 8804=6, 1.8/8804=5...(6) HD3 ARG 55 - QG2 VAL 82 OK 11 100 - 11 - 8804=3, 2174/8585=2...(4) HD2 ARG 55 - QG2 VAL 82 lone 9 96 - 9 - 1.8/8804=2, 2174/8585=1 HD2 ARG 141 - QG2 VAL 82 lone 2 62 - 3 - Peak 8805 from cnoeabs.peaks (3.17, -1.12, 18.38 ppm; 4.33 A): 0 out of 1 assignment used, low quality = 0.00: HB2 TRP 17 - QG1 VAL 82 lone 2 81 - 2 - 8152/8812=2 Peak 8806 from cnoeabs.peaks (1.91, -1.12, 18.38 ppm; 4.99 A): 3 out of 15 assignments used, quality = 1.00: HG13 ILE 83 + QG1 VAL 82 OK 95 100 - 95 - 2.1/10020=42, 9991=42...(18) HB2 LYS 86 + QG1 VAL 82 OK 81 100 - 81 - 4.0/8871=33, 4.6/8877=33...(17) HB3 LEU 132 + QG1 VAL 82 OK 66 85 - 77 - ~8816=24, ~8816=18...(26) HB3 LEU 69 - QG1 VAL 82 OK 43 89 - 48 - ~8800=5, 1.8/2487=4...(23) HB ILE 136 - QG1 VAL 82 OK 32 100 - 32 - ~9686=5, ~8814=4...(11) QE MET 68 - QG1 VAL 82 OK 29 94 - 31 - 8451/8824=9...(10) HB2 MET 59 - QG1 VAL 82 OK 23 98 - 24 - 3.0/10007=4, 3.0/10007=4...(8) HB3 ARG 89 - QG1 VAL 82 OK 20 68 - 29 - 4.4/9976=25 HG3 PRO 12 - QG1 VAL 82 OK 17 89 - 19 - 9991=3, 6913/4.4=3...(9) HG2 PRO 12 - QG1 VAL 82 OK 14 77 - 18 - 6913/4.4=3, 1.8/9991=2...(9) HB ILE 101 - QG1 VAL 82 poor 9 72 - 13 - 3.0/8808=5, 3332/8879=3 HB2 GLN 62 - QG1 VAL 82 poor 9 77 - 12 - 3.0/8827=2, ~10008=2, ~8822=2 HB2 ARG 140 - QG1 VAL 82 poor 8 72 - 11 - ~11567=1, ~11010=1 HB2 LYS 24 - QG1 VAL 82 poor 8 68 - 11 - 10883/11027=2, 10882/8881=1 HB2 PRO 118 - QG1 VAL 82 lone 7 94 - 7 - Peak 8807 from cnoeabs.peaks (1.58, -1.12, 18.38 ppm; 3.90 A): 8 out of 9 assignments used, quality = 0.94: HG3 ARG 109 + QG1 VAL 82 OK 55 100 - 55 - 4.3/9974=7, 3.0/9986=7...(23) HB2 LEU 126 + QG1 VAL 82 OK 35 92 - 39 - ~10339=15, ~10250=8...(8) HG2 ARG 109 + QG1 VAL 82 OK 34 68 - 50 - 4.3/9974=7, 3.0/9986=7...(21) HD3 LYS 85 + QG1 VAL 82 OK 27 100 - 28 - 5.7/10037=11, 8818/2.4=4...(7) HD2 LYS 85 + QG1 VAL 82 OK 25 85 - 29 - 5.7/10037=11...(7) HB2 LEU 66 + QG1 VAL 82 OK 24 96 - 25 - 3.9/2485=7, ~8403=5...(8) HG2 ARG 145 + QG1 VAL 82 OK 12 92 - 13 - 3.0/9986=3, 3.0/9986=3...(4) HG3 ARG 145 + QG1 VAL 82 OK 11 85 - 13 - 3.0/9986=3, 3.0/9986=3...(4) HG3 ARG 124 - QG1 VAL 82 lone 6 100 - 6 - 10677/9941=1 Peak 8808 from cnoeabs.peaks (1.24, -1.12, 18.38 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.79: HB3 LEU 87 + QG1 VAL 82 OK 79 85 - 93 - 3.2/8883=23, 8879=20...(22) HG12 ILE 101 - QG1 VAL 82 lone 8 77 - 10 - 2812/8883=2, 7002/8877=2 HB3 LEU 97 - QG1 VAL 82 lone 7 68 - 10 - 11009/2.1=3, 8817/4.0=3 HG3 LYS 61 - QG1 VAL 82 poor 6 57 - 11 - 11009/2.1=3, ~8816=3...(4) QG2 THR 99 - QG1 VAL 82 lone 5 57 - 8 - 11009/2.1=3, 8817/4.0=3 Peak 8809 from cnoeabs.peaks (1.05, -1.12, 18.38 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.98: HG13 ILE 91 + QG1 VAL 82 OK 94 100 - 94 - 11028=50, 2.1/11029=45...(15) HG3 LYS 114 + QG1 VAL 82 OK 62 98 - 63 - 3780/2.1=13, 1.8/2489=11...(18) QG2 VAL 53 - QG1 VAL 82 OK 29 96 - 30 - 2.1/8811=4, 8240/11035=4...(12) HB2 LEU 116 - QG1 VAL 82 OK 13 77 - 17 - 2991/11029=4...(6) Peak 8810 from cnoeabs.peaks (0.73, -1.12, 18.38 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.70: QD2 LEU 108 + QG1 VAL 82 OK 70 100 - 70 - 8815/2.4=28, 8798/2.1=21...(20) Peak 8811 from cnoeabs.peaks (0.91, -1.12, 18.38 ppm; 4.36 A): 6 out of 6 assignments used, quality = 0.94: QG2 ILE 91 + QG1 VAL 82 OK 63 68 - 94 - 3.3/11029=40...(19) HB2 LEU 64 + QG1 VAL 82 OK 48 96 - 50 - 3.0/8826=10, 1.8/8881=10...(17) QG1 VAL 53 + QG1 VAL 82 OK 29 94 - 30 - 2.1/8809=6, 2989/11029=4...(10) QG1 VAL 63 + QG1 VAL 82 OK 28 96 - 29 - 10010/2.1=4...(13) QD2 LEU 29 + QG1 VAL 82 OK 23 100 - 23 - 10010/2.1=6, 8074/9942=5...(6) QG2 VAL 63 + QG1 VAL 82 OK 18 68 - 27 - 2989/11029=4, ~10010=3...(10) Peak 8812 from cnoeabs.peaks (0.31, -1.12, 18.38 ppm; 3.25 A): 2 out of 2 assignments used, quality = 0.82: QD1 ILE 91 + QG1 VAL 82 OK 69 81 - 84 - 11029=36, 2.1/11028=24...(18) QD2 LEU 42 + QG1 VAL 82 OK 41 99 - 42 - 8813/2.1=20...(13) Peak 8813 from cnoeabs.peaks (0.30, 0.42, 24.59 ppm; 3.32 A): 0 out of 1 assignment used, low quality = 0.30: QD2 LEU 42 - QG2 VAL 82 OK 30 94 - 32 - 8586/8585=10, 8812/2.1=8...(8) Peak 8814 from cnoeabs.peaks (0.76, 1.37, 30.17 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.98: QG2 VAL 73 + HB VAL 82 OK 96 96 - 100 - 8594/2.1=44...(21) QD1 LEU 108 + HB VAL 82 OK 50 62 - 80 - ~8810=31, ~8815=24...(12) QD1 ILE 136 - HB VAL 82 OK 35 98 - 35 - 10454/4.5=10, 9686/2.1=6...(9) QD2 LEU 72 - HB VAL 82 OK 33 100 - 33 - 9948/8795=8, 8616/2.1=5...(9) QD1 LEU 72 - HB VAL 82 OK 25 99 - 25 - ~8800=4, ~8616=4...(8) Peak 8815 from cnoeabs.peaks (0.73, 2.98, 66.39 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.57: QD2 LEU 108 + HA VAL 82 OK 57 100 - 57 - 8810/2.4=31, 8798/3.2=16...(12) Peak 8816 from cnoeabs.peaks (1.26, 2.98, 66.39 ppm; 3.75 A): 2 out of 6 assignments used, quality = 0.46: HB2 LEU 132 + HA VAL 82 OK 39 99 - 40 - 11009/3.2=9, 8817/2.9=6...(17) HG2 LYS 61 + HA VAL 82 OK 11 100 - 11 - 11009/3.2=3, ~8817=3...(5) HG3 LYS 61 - HA VAL 82 lone 9 96 - 9 - 11009/3.2=3, 8817/2.9=2...(4) HB3 LEU 97 - HA VAL 82 lone 8 92 - 8 - 10946/4.9=3, 8817/2.9=3 QG2 THR 99 - HA VAL 82 lone 7 96 - 7 - 8817/2.9=3, 11009/3.2=2 QG2 THR 102 - HA VAL 82 lone 1 100 - 1 - Peak 8818 from cnoeabs.peaks (1.57, 2.98, 66.39 ppm; 4.24 A): 5 out of 9 assignments used, quality = 0.97: HB2 LEU 66 + HA VAL 82 OK 53 100 - 54 - 3.1/8403=8, ~1906=6...(16) HG2 ARG 109 + HA VAL 82 OK 50 92 - 55 - 2.8/2476=7, ~8807=6...(25) HG3 ARG 109 + HA VAL 82 OK 50 92 - 55 - 8807/2.4=8, 2.8/2476=7...(25) HD2 LYS 85 + HA VAL 82 OK 47 99 - 48 - 3.6/2580=16, 3.6/2592=14...(9) HD3 LYS 85 + HA VAL 82 OK 46 99 - 47 - 3.6/2580=16, 3.6/2592=14...(9) HB2 LEU 126 - HA VAL 82 OK 39 100 - 39 - ~10339=13, ~10250=7...(8) HG2 ARG 145 - HA VAL 82 OK 13 100 - 13 - 8807/2.4=2, ~9986=2...(5) HG3 ARG 145 - HA VAL 82 OK 13 99 - 13 - ~9986=2, 8807/2.4=2...(5) HG3 ARG 124 - HA VAL 82 lone 4 96 - 4 - Peak 8819 from cnoeabs.peaks (3.67, 0.42, 24.59 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.96: HA ILE 83 + QG2 VAL 82 OK 96 96 - 99 - 8824/2.1=49, 2.9/6908=47...(25) Peak 8820 from cnoeabs.peaks (4.03, 0.42, 24.59 ppm; 4.47 A): 2 out of 6 assignments used, quality = 0.95: HA GLU 81 + QG2 VAL 82 OK 93 96 - 97 - 3.6/6896=41, 2.9/8776=35...(22) HA GLU 37 + QG2 VAL 82 OK 32 94 - 34 - ~9998=11, 8820=8...(8) HA VAL 63 - QG2 VAL 82 OK 32 100 - 32 - 8820=7, 3.2/10010=4...(11) HA LYS 123 - QG2 VAL 82 OK 29 89 - 32 - 8820=6, 3.0/8655=5...(11) HB THR 107 - QG2 VAL 82 OK 17 81 - 21 - ~8808=5, 8820=4...(6) HA GLN 25 - QG2 VAL 82 lone 5 62 - 8 - 5.5/11597=5 Peak 8821 from cnoeabs.peaks (4.15, 0.42, 24.59 ppm; 4.39 A): 2 out of 7 assignments used, quality = 0.98: HA LYS 76 + QG2 VAL 82 OK 94 100 - 95 - 8653=45, 2.9/8657=28...(20) HA LEU 126 + QG2 VAL 82 OK 58 100 - 58 - 4.0/10339=23, 8821=13...(18) HB3 SER 44 - QG2 VAL 82 OK 15 81 - 19 - 8821=3, 1.8/8821=3...(8) HB2 SER 44 - QG2 VAL 82 OK 15 81 - 19 - 8821=3, 1.8/8821=3...(8) HA GLU 131 - QG2 VAL 82 OK 14 96 - 15 - 8821=3, 4.2/10008=2...(4) HA3 GLY 125 - QG2 VAL 82 OK 13 98 - 13 - 8821=3, 4299/10339=3 HA GLU 120 - QG2 VAL 82 OK 10 68 - 15 - 8903/8882=2, 3.8/10008=2, 8821=2 Peak 8822 from cnoeabs.peaks (4.64, 0.42, 24.59 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: HA LEU 87 + QG2 VAL 82 OK 98 98 - 100 - 4.0/8798=50, 3.0/8876=50...(27) HA GLN 111 + QG2 VAL 82 OK 62 100 - 63 - 10178/8776=23...(22) HA ASN 139 + QG2 VAL 82 OK 48 96 - 50 - 4.5/2496=14, 8827/2.1=8...(19) HA ASP 32 - QG2 VAL 82 OK 33 100 - 33 - 8827/2.1=6, 8822=5...(12) HG1 THR 110 - QG2 VAL 82 OK 21 100 - 21 - ~8809=4, 8827/2.1=3...(7) Peak 8823 from cnoeabs.peaks (6.79, 0.42, 24.59 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.92: H LYS 76 + QG2 VAL 82 OK 88 100 - 88 - 3.0/8653=23, 8649=20...(26) QE TYR 112 + QG2 VAL 82 OK 21 92 - 23 - 2163/8583=4, 2273/9943=3...(10) HD21 ASN 96 + QG2 VAL 82 OK 10 72 - 14 - 8552/8585=2, 9983/3.2=2...(5) Peak 8824 from cnoeabs.peaks (3.67, -1.12, 18.38 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.93: HA ILE 83 + QG1 VAL 82 OK 93 96 - 97 - 9988=44, 2.9/6907=37...(23) Peak 8825 from cnoeabs.peaks (3.96, -1.12, 18.38 ppm; 5.24 A): 3 out of 6 assignments used, quality = 0.51: HA PHE 106 + QG1 VAL 82 OK 27 100 - 27 - 3428/2.1=6, 3.0/9986=4...(8) HA LYS 48 + QG1 VAL 82 OK 19 92 - 21 - ~8801=5, ~8801=4...(7) HA3 GLY 94 + QG1 VAL 82 OK 17 98 - 17 - 10033/9988=4...(5) HA ALA 60 - QG1 VAL 82 lone 9 98 - 9 - 8316/8808=1, 8915/8830=1 HB3 SER 103 - QG1 VAL 82 lone 6 100 - 6 - HA3 GLY 143 - QG1 VAL 82 lone 3 81 - 4 - Peak 8826 from cnoeabs.peaks (4.18, -1.12, 18.38 ppm; 3.99 A): 4 out of 6 assignments used, quality = 0.79: HA TRP 88 + QG1 VAL 82 OK 54 77 - 70 - 8931=23, 6.4/8830=11...(18) HA LEU 64 + QG1 VAL 82 OK 34 81 - 41 - 3.0/8881=6, 9266/8810=6...(16) HG1 THR 74 + QG1 VAL 82 OK 21 77 - 27 - 3.0/9941=6, ~8616=5...(9) HA PHE 67 + QG1 VAL 82 OK 14 77 - 18 - ~9999=5, 3.7/8828=4...(5) HA PHE 38 - QG1 VAL 82 poor 10 72 - 14 - 8931=3, 8989/11028=2...(4) HA CYS 121 - QG1 VAL 82 lone 9 99 - 9 - 3.6/2485=3, 4.9/8931=1 Peak 8827 from cnoeabs.peaks (4.64, -1.12, 18.38 ppm; 4.98 A): 1 out of 5 assignments used, quality = 0.97: HA LEU 87 + QG1 VAL 82 OK 97 98 - 99 - 3.0/8877=44, 3.0/8879=39...(23) HA GLN 111 - QG1 VAL 82 OK 33 100 - 33 - 10178/9974=7, 8822/2.1=5...(11) HA ASN 139 - QG1 VAL 82 OK 30 96 - 31 - 4.5/2490=9...(9) HA ASP 32 - QG1 VAL 82 OK 20 100 - 20 - 8822/2.1=4, ~8087=3...(7) HG1 THR 110 - QG1 VAL 82 OK 13 100 - 13 - 3.0/8809=3, 8822/2.1=2...(5) Peak 8828 from cnoeabs.peaks (6.83, -1.12, 18.38 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.82: HZ2 TRP 88 + QG1 VAL 82 OK 78 98 - 80 - 2.5/9985=30, 2.8/8830=28...(15) QD PHE 67 + QG1 VAL 82 OK 17 92 - 18 - 3.7/8826=3, 5637/9985=3...(7) HD22 ASN 54 - QG1 VAL 82 lone 8 89 - 9 - 10020/9991=2...(3) Peak 8829 from cnoeabs.peaks (8.12, -1.12, 18.38 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.95: H LEU 87 + QG1 VAL 82 OK 93 100 - 93 - 8877=47, 8876/2.1=30...(17) H TYR 115 + QG1 VAL 82 OK 35 100 - 35 - 8831/2.1=9, 9972/2.4=6...(12) Peak 8830 from cnoeabs.peaks (9.54, -1.12, 18.38 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.92: HE1 TRP 88 + QG1 VAL 82 OK 92 100 - 93 - 8925=36, 2.8/8828=28...(16) Peak 8831 from cnoeabs.peaks (8.12, 0.42, 24.59 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.96: H LEU 87 + QG2 VAL 82 OK 92 98 - 94 - 8876=48, 8877/2.1=41...(18) H TYR 115 + QG2 VAL 82 OK 47 100 - 47 - 8829/2.1=10, 3.6/3734=6...(14) Peak 8832 from cnoeabs.peaks (9.53, 3.67, 64.81 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.74: HE1 TRP 88 + HA ILE 83 OK 74 92 - 80 - 8914=40, 10024/4.2=16...(13) Peak 8833 from cnoeabs.peaks (7.54, 3.67, 64.81 ppm; 4.32 A): 3 out of 3 assignments used, quality = 0.92: H LEU 95 + HA ILE 83 OK 72 100 - 72 - 3.0/9061=28, 7118/3.0=11...(18) H TRP 88 + HA ILE 83 OK 50 100 - 50 - 7.3/8832=10, 5.4/11147=8...(10) H ILE 91 + HA ILE 83 OK 41 96 - 42 - 11024/9988=11...(13) Peak 8834 from cnoeabs.peaks (6.83, 3.67, 64.81 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.90: HZ2 TRP 88 + HA ILE 83 OK 84 89 - 94 - 2.8/8832=45...(19) HD22 ASN 54 + HA ILE 83 OK 21 98 - 21 - 10020/3.8=13...(3) QD PHE 67 + HA ILE 83 OK 18 77 - 23 - 10782/3.2=6, 10039/4.2=5...(5) Peak 8835 from cnoeabs.peaks (6.94, 0.85, 16.44 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.77: HD21 ASN 139 + QG2 ILE 83 OK 71 89 - 80 - 3.5/10026=24...(14) QD PHE 23 + QG2 ILE 83 OK 21 100 - 21 - 10779/3.1=16...(3) QD TYR 112 - QG2 ILE 83 lone 7 85 - 8 - 8488/10778=3, 4710/1838=2 Peak 8836 from cnoeabs.peaks (9.55, 0.85, 16.44 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.56: HE1 TRP 88 + QG2 ILE 83 OK 56 68 - 84 - 2.8/10782=21, 8923=17...(21) Peak 8838 from cnoeabs.peaks (7.89, 4.43, 55.60 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.82: H ILE 83 + HA ASN 84 OK 69 92 - 75 - 3.9/8855=22, 6950/3.6=20...(10) HD22 ASN 139 + HA ASN 84 OK 41 99 - 41 - 4.5/10357=10...(9) Peak 8839 from cnoeabs.peaks (7.56, 4.43, 55.60 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.70: H LYS 86 + HA ASN 84 OK 70 100 - 70 - 6967/3.6=31, 8866/2.9=20...(9) HD21 ASN 54 - HA ASN 84 lone 6 100 - 6 - 6967/3.6=4 Peak 8850 from cnoeabs.peaks (1.71, 2.71, 37.92 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.94: HB ILE 58 + HB2 ASN 84 OK 67 89 - 75 - 8853/3.0=16, 3.0/2555=12...(15) HB3 LEU 95 + HB2 ASN 84 OK 59 94 - 63 - ~10045=21, 3.1/8852=21...(8) HB2 LYS 85 + HB2 ASN 84 OK 58 85 - 69 - 3.9/6954=37, 8853/3.0=14...(7) HD2 LYS 86 - HB2 ASN 84 OK 21 89 - 23 - 6959/4.7=9, 8853/3.0=8 HG LEU 66 - HB2 ASN 84 OK 12 68 - 17 - 2.1/8404=7, 2.1/9897=3...(4) HB3 ARG 109 - HB2 ASN 84 lone 6 77 - 8 - ~8854=3, 8853/3.0=1 HG3 ARG 89 - HB2 ASN 84 lone 2 62 - 3 - Peak 8851 from cnoeabs.peaks (1.53, 2.71, 37.92 ppm; 4.98 A): 7 out of 9 assignments used, quality = 0.94: QB ALA 135 + HB2 ASN 84 OK 68 89 - 76 - 9659/3.5=33...(10) HG3 LYS 85 + HB2 ASN 84 OK 38 77 - 49 - 5.1/6954=23, 10042/3.0=7...(8) HG3 LYS 76 + HB2 ASN 84 OK 32 98 - 33 - 10044/1.8=6, 8845/3.5=5...(10) HD2 LYS 76 + HB2 ASN 84 OK 32 100 - 32 - 8856/4.0=5, 8845/3.5=5...(11) HG2 LYS 93 + HB2 ASN 84 OK 15 98 - 15 - 6962/4.7=4, 8856/4.0=3...(7) HB2 LEU 29 + HB2 ASN 84 OK 14 92 - 15 - ~10533=4, 10044/1.8=2...(7) HG2 ARG 55 + HB2 ASN 84 OK 10 77 - 13 - 10611/4.0=6, 1.8/9860=4, 9860=3 HG3 ARG 55 - HB2 ASN 84 poor 8 68 - 12 - 10611/4.0=6, 1.8/9860=4, 9860=2 HG3 PRO 57 - HB2 ASN 84 lone 7 68 - 10 - 10044/1.8=2, 10042/3.0=2...(6) Peak 8852 from cnoeabs.peaks (0.82, 2.71, 37.92 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 95 + HB2 ASN 84 OK 76 100 - 76 - 8847/3.5=33, 8849/3.5=33...(8) HG LEU 42 + HB2 ASN 84 OK 61 100 - 61 - 8847/3.5=17, 8849/3.5=16...(10) Peak 8853 from cnoeabs.peaks (1.71, 4.43, 55.60 ppm; 4.30 A): 4 out of 7 assignments used, quality = 0.87: HB ILE 58 + HA ASN 84 OK 53 89 - 59 - 1554=13, 2.1/1562=10...(18) HB2 LYS 85 + HA ASN 84 OK 49 85 - 58 - 4.6/8839=21, 3.9/6953=21...(9) HB3 LEU 95 + HA ASN 84 OK 32 94 - 34 - ~10045=7, 10094/4.8=6...(11) HD2 LYS 86 + HA ASN 84 OK 24 89 - 27 - 6.3/8839=13, 6959/3.6=7...(6) HG LEU 66 - HA ASN 84 poor 7 68 - 10 - ~6928=4, ~8404=2, ~9897=2 HB3 ARG 109 - HA ASN 84 lone 4 77 - 5 - 1.8/8854=2 HG3 ARG 89 - HA ASN 84 lone 1 62 - 2 - Peak 8854 from cnoeabs.peaks (1.37, 4.43, 55.60 ppm; 5.46 A): 3 out of 6 assignments used, quality = 0.79: HB VAL 82 + HA ASN 84 OK 57 100 - 57 - 4.5/8838=21, ~9981=17...(7) HB3 LEU 39 + HA ASN 84 OK 34 99 - 34 - 4.3/2552=8, 10013/4.8=6...(9) HG LEU 132 + HA ASN 84 OK 25 98 - 26 - ~8857=9, 10013/4.8=6...(6) HB2 ARG 109 - HA ASN 84 poor 9 92 - 10 - 10013/4.8=3, 6906/8838=1...(4) HB2 LEU 69 - HA ASN 84 poor 8 81 - 10 - 10013/4.8=4, ~6927=1...(4) HG2 ARG 49 - HA ASN 84 lone 7 68 - 10 - 9992/4.8=3, ~6924=1, 6982/8839=1 Peak 8855 from cnoeabs.peaks (0.84, 4.43, 55.60 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.74: QG2 ILE 83 + HA ASN 84 OK 62 85 - 73 - 10037=22, 2521/2.9=16...(16) QD2 LEU 97 + HA ASN 84 OK 19 100 - 19 - 10045/3.0=7, 9124/4.8=6 QD1 LEU 64 + HA ASN 84 OK 15 68 - 22 - 8376/4.8=8, 6925/2.9=6...(5) Peak 8860 from cnoeabs.peaks (0.72, 4.22, 55.53 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 87 + HA LYS 85 OK 82 94 - 87 - 8904=22, 2.1/10064=17...(20) QD1 LEU 87 + HA LYS 85 OK 81 92 - 88 - 10064=19, 2.1/8904=18...(21) QD2 LEU 108 - HA LYS 85 poor 10 68 - 14 - 10036/3.0=5, 10039/2.9=2 Peak 8861 from cnoeabs.peaks (2.19, 4.22, 55.53 ppm; 5.18 A): 3 out of 6 assignments used, quality = 0.84: HB3 LYS 86 + HA LYS 85 OK 72 96 - 75 - 4.0/6970=24, ~8867=16...(15) HB3 PRO 57 + HA LYS 85 OK 29 100 - 29 - 10587/3.0=10, 6981/3.6=6...(8) HG2 PRO 129 + HA LYS 85 OK 16 85 - 19 - 6981/3.6=12, 8863/3.0=4 HB2 MET 46 - HA LYS 85 lone 9 92 - 9 - ~6954=2, 4.0/6379=2, 4.6/6397=2 HB2 MET 113 - HA LYS 85 lone 7 92 - 8 - 3.0/8862=5 HG2 GLU 75 - HA LYS 85 lone 4 81 - 5 - 8635/4.0=1, 8635/2574=1 Peak 8862 from cnoeabs.peaks (2.74, 4.22, 55.53 ppm; 5.09 A): 4 out of 9 assignments used, quality = 0.54: HB3 ASP 40 + HA LYS 85 OK 21 72 - 28 - 3.3/2569=5, ~6953=3...(11) HB2 ASN 54 + HA LYS 85 OK 19 89 - 21 - 8864/4.0=6, 3.5/2579=5...(6) HB2 ASN 96 + HA LYS 85 OK 18 100 - 18 - 8864/4.0=6, 3.9/11692=4...(6) HG3 MET 113 + HA LYS 85 OK 13 92 - 14 - 8864/4.0=5, 10050/5.2=2...(4) HB3 PHE 43 - HA LYS 85 lone 7 98 - 7 - 8864/4.0=2, 4.5/11217=1 HB3 GLU 120 - HA LYS 85 poor 7 62 - 11 - 8864/4.0=6, 11602/3.0=2 HB3 ASP 137 - HA LYS 85 lone 6 98 - 6 - 8864/4.0=2 HB2 PHE 38 - HA LYS 85 lone 4 77 - 5 - 8864/4.0=2, ~6250=2 HB3 TYR 70 - HA LYS 85 lone 3 77 - 4 - 8864/4.0=2 Peak 8864 from cnoeabs.peaks (2.73, 1.52, 25.93 ppm; 4.76 A): 0 out of 8 assignments used, low quality = 0.40: HB2 ASN 54 - HG3 LYS 85 OK 13 72 - 17 - 8862/4.0=5, 3.5/10046=4...(5) HB2 ASN 96 - HG3 LYS 85 OK 12 100 - 13 - 8862/4.0=5, ~9077=2...(4) HB3 GLU 120 - HG3 LYS 85 OK 12 81 - 15 - 11602/5.1=2, ~11605=2...(9) HG3 MET 113 - HG3 LYS 85 OK 11 77 - 14 - 8862/4.0=3, 10050/3.0=3...(6) HB3 ASP 137 - HG3 LYS 85 lone 5 89 - 5 - 8862/4.0=2 HB3 PHE 43 - HG3 LYS 85 lone 4 89 - 5 - 8862/4.0=2 HB2 PHE 38 - HG3 LYS 85 lone 4 92 - 4 - 8862/4.0=1 HB3 TYR 70 - HG3 LYS 85 lone 4 92 - 4 - Peak 8867 from cnoeabs.peaks (8.56, 3.93, 57.01 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.85: H LYS 85 + HA LYS 86 OK 78 100 - 78 - 6967/3.0=38, 8865/3.6=23...(13) H LEU 72 + HA LYS 86 OK 25 92 - 27 - 6969/3.0=7, 8908/3.6=5...(8) H ASP 40 + HA LYS 86 OK 12 72 - 16 - 6969/3.0=5, 8908/3.6=3...(5) Peak 8873 from cnoeabs.peaks (0.72, 3.93, 57.01 ppm; 4.42 A): 3 out of 3 assignments used, quality = 0.67: QD2 LEU 87 + HA LYS 86 OK 39 68 - 57 - 4.8/6991=16, 8870/3.0=15...(10) QD1 LEU 87 + HA LYS 86 OK 35 62 - 57 - 4.4/6991=19, 8870/3.0=15...(11) QD2 LEU 108 + HA LYS 86 OK 16 94 - 17 - 8810/10053=11...(3) Peak 8875 from cnoeabs.peaks (0.91, 2.18, 28.31 ppm; 3.79 A): 0 out of 6 assignments used, low quality = 0.39: QD2 LEU 29 - HB3 LYS 86 OK 29 100 - 29 - 372/3.0=6, ~380=3...(11) QG1 VAL 63 - HB3 LYS 86 OK 14 98 - 15 - 2.1/9830=4, 9873=4...(4) QG2 VAL 63 - HB3 LYS 86 lone 6 62 - 10 - 2.1/9873=3, 9830=3, ~10956=1 QG1 VAL 53 - HB3 LYS 86 lone 5 96 - 5 - HB2 LEU 64 - HB3 LYS 86 lone 3 94 - 3 - QG2 ILE 91 - HB3 LYS 86 lone 2 62 - 4 - Peak 8878 from cnoeabs.peaks (0.42, 1.23, 42.32 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 82 + HB3 LEU 87 OK 99 100 - 99 - 8798/3.2=43, 2.1/8879=39...(25) Peak 8879 from cnoeabs.peaks (-1.12, 1.23, 42.32 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 82 + HB3 LEU 87 OK 99 100 - 99 - 8883/3.2=35, 2.1/8878=35...(24) Peak 8880 from cnoeabs.peaks (0.42, 1.61, 42.32 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 82 + HB2 LEU 87 OK 99 100 - 99 - 8798/3.2=42, 8878/1.8=36...(27) QG2 VAL 82 + HB3 LEU 64 OK 50 98 - 51 - 2.1/8881=11, 10010/1.8=9...(16) Peak 8881 from cnoeabs.peaks (-1.11, 1.61, 42.32 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.86: QG1 VAL 82 + HB2 LEU 87 OK 79 81 - 97 - 8877/4.0=30...(22) QG1 VAL 82 + HB3 LEU 64 OK 34 78 - 44 - 2.1/8880=11, 8826/3.0=7...(14) Peak 8882 from cnoeabs.peaks (0.42, 0.71, 25.72 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.96: QG2 VAL 82 + QD1 LEU 87 OK 96 100 - 96 - 8798=41, 2.1/8883=27...(37) Peak 8883 from cnoeabs.peaks (-1.12, 0.71, 25.72 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 82 + QD1 LEU 87 OK 98 100 - 98 - 8883=45, 2.1/8882=40...(30) Peak 8886 from cnoeabs.peaks (2.94, 1.61, 42.32 ppm; 3.56 A): 9 out of 24 assignments used, quality = 0.89: HE3 LYS 85 + HB2 LEU 87 OK 46 100 - 46 - 10052/3.2=9, ~10051=5...(15) HE2 LYS 85 + HB2 LEU 87 OK 39 94 - 41 - 10052/3.2=8, ~10051=5...(14) HE3 LYS 61 + HB2 LEU 87 OK 20 94 - 21 - 8336/3.1=7, ~8336=5...(5) HE2 LYS 61 + HB2 LEU 87 OK 19 94 - 21 - 8336/3.1=7, ~8336=4...(6) HE3 LYS 48 + HB2 LEU 87 OK 18 98 - 18 - 10052/3.2=3, ~8895=2...(7) HB2 TYR 115 + HB3 LEU 64 OK 14 85 - 16 - ~9883=4, ~9848=4...(5) HE3 LYS 93 + HB2 LEU 87 OK 13 100 - 13 - 10052/3.2=2, ~8895=2...(4) HE2 LYS 48 + HB2 LEU 87 OK 12 89 - 14 - 10052/3.2=2, 3.6/1177=2...(5) HB2 TYR 115 + HB2 LEU 87 OK 10 89 - 12 - 4.0/2777=4, 3839/4.0=4...(4) HE2 LYS 93 - HB2 LEU 87 lone 8 92 - 9 - 10052/3.2=2, ~10052=1 HB3 PHE 67 - HB2 LEU 87 lone 6 85 - 7 - ~8413=4, ~8904=2 HE3 LYS 85 - HB3 LEU 64 lone 3 98 - 3 - HE2 LYS 61 - HB3 LEU 64 lone 3 91 - 3 - HE2 LYS 85 - HB3 LEU 64 lone 3 91 - 3 - HE3 LYS 61 - HB3 LEU 64 lone 3 91 - 3 - HE3 LYS 93 - HB3 LEU 64 lone 2 98 - 2 - HB3 PHE 67 - HB3 LEU 64 lone 2 82 - 2 - ~9869=1 HE3 LYS 48 - HB3 LEU 64 lone 2 95 - 2 - HB2 PHE 106 - HB3 LEU 64 lone 2 82 - 2 - ~10216=1 HE2 LYS 48 - HB3 LEU 64 lone 1 85 - 2 - HB2 PHE 106 - HB2 LEU 87 lone 1 85 - 1 - HE2 LYS 93 - HB3 LEU 64 lone 1 88 - 1 - HB3 ASN 130 - HB2 LEU 87 lone 1 96 - 1 - HB3 ASN 130 - HB3 LEU 64 lone 1 93 - 1 - Peak 8889 from cnoeabs.peaks (2.97, 1.23, 42.32 ppm; 4.99 A): 4 out of 5 assignments used, quality = 0.89: HA VAL 82 + HB3 LEU 87 OK 77 77 - 100 - 2.4/8879=43, 3.2/8878=37...(30) HA VAL 71 + HB3 LEU 87 OK 34 100 - 34 - 8901/3.1=17, 8886/1.8=6...(6) HB3 TYR 27 + HB3 LEU 87 OK 16 100 - 16 - 8901/3.1=9, 8895/3.2=4 HB2 ASP 30 + HB3 LEU 87 OK 14 92 - 15 - 8901/3.1=8, 8895/3.2=3 HB3 ASN 128 - HB3 LEU 87 lone 5 62 - 8 - 2486/8879=3, 2492/8878=3 Peak 8890 from cnoeabs.peaks (1.55, 0.71, 25.72 ppm; 3.09 A): 1 out of 4 assignments used, quality = 0.51: HB3 LEU 79 + QD1 LEU 87 OK 51 100 - 51 - 8890=13, 3.0/2813=6...(25) HG2 ARG 109 - QD1 LEU 87 lone 6 68 - 9 - 4.3/11402=2, 8890=2, 2.8/10061=1 HG3 ARG 55 - QD1 LEU 87 lone 6 100 - 6 - 9861/8665=2, 8890=1 HG2 ARG 55 - QD1 LEU 87 lone 5 98 - 5 - 9861/8665=2, 1.8/8890=1 Peak 8891 from cnoeabs.peaks (1.86, 0.71, 25.72 ppm; 3.24 A): 2 out of 8 assignments used, quality = 0.96: HB3 LYS 85 + QD1 LEU 87 OK 86 100 - 86 - 10039=18, 1.8/10046=16...(25) HB3 LYS 76 + QD1 LEU 87 OK 74 96 - 77 - 3.0/8660=15, 1.8/8654=13...(23) HB2 LYS 48 - QD1 LEU 87 OK 41 98 - 42 - 8891=7, 1.8/10091=6...(16) HB3 LYS 48 - QD1 LEU 87 OK 32 81 - 39 - 8891=5, 2.9/11145=5...(14) HB2 ARG 144 - QD1 LEU 87 OK 16 92 - 17 - 1.8/10061=3, 8891=3...(5) HB3 GLU 28 - QD1 LEU 87 OK 11 94 - 12 - ~10862=2, ~10543=2...(5) HG LEU 69 - QD1 LEU 87 OK 10 99 - 10 - 8891=2 HB2 LYS 36 - QD1 LEU 87 lone 7 89 - 8 - 8801/8882=2 Peak 8892 from cnoeabs.peaks (2.13, 0.71, 25.72 ppm; 4.95 A): 2 out of 6 assignments used, quality = 0.94: HG2 GLU 81 + QD1 LEU 87 OK 91 99 - 93 - 8781/2.1=36, 8781=26...(25) HG2 GLN 111 + QD1 LEU 87 OK 31 94 - 33 - 8892=13, 4.7/8907=9...(6) HB2 GLU 75 - QD1 LEU 87 OK 27 62 - 43 - 3.0/8642=18, 8892=16...(10) HB2 GLN 133 - QD1 LEU 87 OK 16 94 - 16 - 8892=6, 1.8/8892=5 HB3 GLN 133 - QD1 LEU 87 OK 15 92 - 16 - 8892=6, 1.8/8892=5 HG3 PRO 118 - QD1 LEU 87 lone 7 100 - 7 - 8892=2 Peak 8893 from cnoeabs.peaks (2.29, 0.71, 25.72 ppm; 4.66 A): 3 out of 7 assignments used, quality = 0.96: HG3 GLU 81 + QD1 LEU 87 OK 88 100 - 89 - ~8781=25, 1.8/8781=24...(21) HG3 GLU 75 + QD1 LEU 87 OK 50 100 - 50 - 8642=21, 3.0/8892=12...(10) HG2 GLU 120 + QD1 LEU 87 OK 35 85 - 41 - 1.8/8642=12, 3.8/8903=5...(13) HG3 GLN 62 - QD1 LEU 87 OK 27 100 - 27 - 3.9/2810=4, ~8899=2...(14) HG2 GLN 62 - QD1 LEU 87 OK 27 100 - 26 - 3.9/2810=4, 8899/2.1=2...(15) HG2 GLU 131 - QD1 LEU 87 lone 6 62 - 9 - 8893=1, 8899/2.1=1 HG3 GLU 142 - QD1 LEU 87 lone 4 62 - 6 - Peak 8894 from cnoeabs.peaks (2.75, 0.71, 25.72 ppm; 4.30 A): 2 out of 9 assignments used, quality = 0.99: HE2 LYS 76 + QD1 LEU 87 OK 92 100 - 92 - ~8665=22, 3.0/8665=20...(22) HE3 LYS 76 + QD1 LEU 87 OK 90 98 - 92 - ~8665=22, 3.0/8665=20...(22) HG3 MET 113 - QD1 LEU 87 OK 28 92 - 31 - 9328/8882=9, 8894=5...(9) HE2 LYS 114 - QD1 LEU 87 OK 22 100 - 22 - 4.9/11145=4, 8803/8882=4...(7) HB3 PHE 43 - QD1 LEU 87 OK 18 81 - 22 - ~10827=6, 2.7/11402=4...(5) HB3 ASP 40 - QD1 LEU 87 OK 10 100 - 10 - ~8906=2, 8894=2 HB3 ASP 137 - QD1 LEU 87 lone 5 81 - 6 - HB2 ASN 54 - QD1 LEU 87 lone 5 94 - 5 - HB2 ASP 41 - QD1 LEU 87 lone 2 62 - 3 - Peak 8895 from cnoeabs.peaks (2.96, 0.71, 25.72 ppm; 3.46 A): 6 out of 9 assignments used, quality = 0.79: HE2 LYS 85 + QD1 LEU 87 OK 47 62 - 76 - 8895=14, 2.9/10051=13...(19) HE2 LYS 48 + QD1 LEU 87 OK 21 72 - 30 - 8895=7, 3.6/11145=5...(8) HA VAL 71 + QD1 LEU 87 OK 21 92 - 23 - 8901/2.1=13, 8889/3.2=3...(4) HB3 PHE 67 + QD1 LEU 87 OK 14 77 - 18 - 3.0/8413=7, ~8413=5...(4) HE2 LYS 93 + QD1 LEU 87 OK 14 68 - 21 - 8895=4, 3.8/8660=4...(5) HB3 TYR 27 + QD1 LEU 87 OK 13 98 - 13 - 8901/2.1=6, 8895=4, 8889/3.2=2 HB2 TYR 115 - QD1 LEU 87 poor 10 72 - 13 - 4.0/2809=6, 8895=3...(4) HB2 ASP 30 - QD1 LEU 87 poor 7 68 - 10 - 8901/2.1=5, 8895=3, 8889/3.2=2 HB2 PHE 106 - QD1 LEU 87 lone 2 77 - 2 - Peak 8897 from cnoeabs.peaks (1.85, 0.71, 22.21 ppm; 3.14 A): 4 out of 6 assignments used, quality = 0.89: HB3 LYS 76 + QD2 LEU 87 OK 61 85 - 71 - 3.5/8665=17, 3.5/8662=10...(21) HB3 LYS 85 + QD2 LEU 87 OK 54 68 - 80 - 1.8/10038=13...(24) HB2 LYS 93 + QD2 LEU 87 OK 23 98 - 24 - 3.0/8904=3, ~8660=3...(9) HB3 LEU 126 + QD2 LEU 87 OK 21 94 - 22 - 11673/4.8=4, 8891/2.1=3...(7) HB3 GLU 28 - QD2 LEU 87 lone 8 89 - 9 - ~10862=2, ~10543=2 HG LEU 69 - QD2 LEU 87 lone 4 77 - 6 - 2309/8665=1 Peak 8898 from cnoeabs.peaks (2.02, 0.71, 22.21 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.81: HB2 GLU 90 + QD2 LEU 87 OK 74 100 - 74 - 10076/2.1=18...(21) HB3 LYS 34 + QD2 LEU 87 OK 27 94 - 28 - 10799/4.1=5, ~498=3...(14) HB2 PRO 33 - QD2 LEU 87 lone 3 62 - 5 - 10799/4.1=1, ~10995=1 HB2 GLU 37 - QD2 LEU 87 lone 3 77 - 4 - HB3 GLU 37 - QD2 LEU 87 lone 1 62 - 2 - Peak 8899 from cnoeabs.peaks (2.28, 0.71, 22.21 ppm; 3.24 A): 4 out of 9 assignments used, quality = 0.82: HG2 GLU 90 + QD2 LEU 87 OK 59 98 - 60 - 1.8/9807=17, 3.0/8898=15...(17) HG3 GLU 81 + QD2 LEU 87 OK 42 89 - 47 - 1.8/8781=14, ~8781=8...(12) HG3 GLU 75 + QD2 LEU 87 OK 15 81 - 18 - 8642/2.1=9, ~8892=3...(4) HB3 MET 113 + QD2 LEU 87 OK 11 94 - 11 - 2921/8898=3, 3702/9807=2...(4) HG2 GLN 62 - QD2 LEU 87 poor 10 85 - 11 - 3.9/2802=2, ~8893=1, 8893/2.1=1 HG3 GLN 62 - QD2 LEU 87 poor 8 72 - 11 - 3.9/2802=2, ~8893=1, 8893/2.1=1 HG3 PRO 129 - QD2 LEU 87 lone 4 62 - 6 - 3.8/2802=1 HG2 GLU 131 - QD2 LEU 87 lone 4 99 - 4 - HG3 GLU 142 - QD2 LEU 87 lone 2 99 - 2 - Peak 8900 from cnoeabs.peaks (2.77, 0.71, 22.21 ppm; 3.97 A): 2 out of 8 assignments used, quality = 0.95: HE3 LYS 76 + QD2 LEU 87 OK 82 96 - 85 - 3.0/8665=32...(19) HE2 LYS 76 + QD2 LEU 87 OK 72 85 - 84 - 3.0/8665=32, 3.0/8662=19...(17) HE2 LYS 114 - QD2 LEU 87 OK 13 89 - 14 - 4.9/11146=3, 11058/2.1=2...(5) HB3 ASN 84 - QD2 LEU 87 OK 12 72 - 16 - 4.7/8906=13, 8872/8870=2 HG3 GLN 111 - QD2 LEU 87 OK 11 77 - 14 - ~8892=5, 3.9/2802=4, ~8892=3 HB3 ASP 40 - QD2 LEU 87 lone 5 68 - 7 - 3.3/8906=3 HB2 ASP 41 - QD2 LEU 87 lone 4 99 - 4 - HB3 TYR 119 - QD2 LEU 87 lone 3 68 - 4 - 6955/8906=1 Peak 8901 from cnoeabs.peaks (2.97, 0.71, 22.21 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.81: HA VAL 82 + QD2 LEU 87 OK 75 77 - 97 - 2.4/10055=34, ~8883=20...(29) HA VAL 71 + QD2 LEU 87 OK 24 100 - 24 - 3.6/8906=6, 8895/2.1=5...(7) HB3 TYR 27 - QD2 LEU 87 lone 9 100 - 9 - 8895/2.1=3, 8889/3.1=3 HB2 ASP 30 - QD2 LEU 87 lone 7 92 - 8 - 8895/2.1=3, 8889/3.1=3 HB3 ASN 128 - QD2 LEU 87 lone 3 62 - 5 - 2486/10059=2 Peak 8903 from cnoeabs.peaks (4.15, 0.71, 25.72 ppm; 4.23 A): 3 out of 8 assignments used, quality = 0.96: HA LYS 76 + QD1 LEU 87 OK 89 100 - 89 - 8652/2.1=22, 8652=20...(27) HA GLU 120 + QD1 LEU 87 OK 37 89 - 41 - 3.6/8907=12, 3.8/8642=7...(9) HA LEU 126 + QD1 LEU 87 OK 36 98 - 37 - 8821/8882=4, 11408/2.1=4...(15) HB2 SER 44 - QD1 LEU 87 OK 20 96 - 21 - 8903=3, 1.8/8903=3...(8) HB3 SER 44 - QD1 LEU 87 OK 20 96 - 21 - 1.8/8903=3, 8903=3...(9) HA3 GLY 125 - QD1 LEU 87 lone 8 100 - 8 - 8903=1 HA PHE 38 - QD1 LEU 87 poor 7 62 - 11 - 8903=2 HA GLU 131 - QD1 LEU 87 lone 5 81 - 6 - Peak 8904 from cnoeabs.peaks (4.23, 0.71, 22.21 ppm; 3.99 A): 3 out of 6 assignments used, quality = 0.89: HA LYS 85 + QD2 LEU 87 OK 83 94 - 88 - 8860=20, 3.0/8906=19...(20) HA LYS 93 + QD2 LEU 87 OK 23 72 - 32 - 10064/2.1=8, 3.0/8897=8...(8) HB THR 102 + QD2 LEU 87 OK 10 100 - 10 - 10064/2.1=3...(3) HB THR 92 - QD2 LEU 87 poor 7 72 - 10 - ~9026=2, ~9026=2...(4) HA ARG 141 - QD2 LEU 87 lone 6 94 - 6 - 10064/2.1=2 HA PHE 45 - QD2 LEU 87 lone 4 72 - 5 - 10064/2.1=2 Peak 8906 from cnoeabs.peaks (8.57, 0.71, 22.21 ppm; 3.94 A): 3 out of 3 assignments used, quality = 0.91: H LYS 85 + QD2 LEU 87 OK 84 99 - 85 - 3.0/8904=18...(24) H LEU 72 + QD2 LEU 87 OK 33 100 - 34 - 3.6/8901=12, 8908/4.8=4...(14) H ASP 40 + QD2 LEU 87 OK 14 92 - 15 - 8908/4.8=2, 9982/10059=1 Peak 8907 from cnoeabs.peaks (8.54, 0.71, 25.72 ppm; 4.52 A): 0 out of 3 assignments used, low quality = 0.37: H CYS 121 - QD1 LEU 87 OK 24 100 - 24 - 3.1/11401=6, 3.6/8903=5...(6) H GLN 111 - QD1 LEU 87 OK 17 68 - 25 - 2.9/2810=7, 4.7/8892=6...(8) H MET 46 - QD1 LEU 87 lone 9 98 - 9 - 3.6/10060=2, ~8183=2 Peak 8911 from cnoeabs.peaks (9.55, 7.49, 128.32 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.66: HE1 TRP 88 + HD1 TRP 88 OK 66 66 - 100 - 2.6=100 Peak 8926 from cnoeabs.peaks (1.12, 7.49, 128.32 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.75: QB ALA 105 + HD1 TRP 88 OK 70 99 - 70 - 10215/2.6=27...(9) HD2 LYS 123 + HD1 TRP 88 OK 18 99 - 18 - 8927/3.9=6, 8928/3.9=6...(4) Peak 8927 from cnoeabs.peaks (1.12, 3.07, 29.09 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.85: QB ALA 105 + HB3 TRP 88 OK 79 100 - 79 - 9211/1.8=40, 8926/3.9=21...(10) HD2 LYS 123 + HB3 TRP 88 OK 27 100 - 27 - 8928/1.8=10, 8926/3.9=6...(6) Peak 8928 from cnoeabs.peaks (1.12, 3.30, 29.09 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.89: QB ALA 105 + HB2 TRP 88 OK 84 100 - 85 - 9211=31, 8927/1.8=30...(12) HD2 LYS 123 + HB2 TRP 88 OK 31 100 - 30 - 8927/1.8=10, 11675/4.0=6...(8) Peak 8929 from cnoeabs.peaks (0.91, 4.17, 60.43 ppm; 3.99 A): 9 out of 18 assignments used, quality = 0.95: HB2 LEU 64 + HA TRP 88 OK 58 94 - 62 - 3.0/10068=13, 10239=9...(18) QG2 ILE 91 + HA TRP 88 OK 52 62 - 83 - 2.1/2828=20...(20) QG1 VAL 63 + HA TRP 88 OK 28 98 - 28 - 10239=7, 4.4/6613=4...(11) QD2 LEU 29 + HA TRP 88 OK 18 100 - 18 - 10239=5, 4782/5.1=2...(5) QG1 VAL 63 + HA PHE 38 OK 18 66 - 27 - 10936/3.0=8, 10932/3.0=3...(9) QG1 VAL 53 + HA TRP 88 OK 17 96 - 18 - 4782/5.1=2, 2.1/10063=2...(9) HB2 LEU 64 + HA PHE 38 OK 17 62 - 28 - 1817=4, ~4739=3...(13) QG2 VAL 63 + HA TRP 88 OK 14 62 - 23 - 2.1/10239=6, 4.3/6613=4...(7) QG2 ILE 91 + HA PHE 38 OK 10 37 - 28 - ~786=5, ~6242=4...(9) QG2 VAL 63 - HA PHE 38 poor 7 37 - 19 - ~10936=6, ~10932=2...(6) HB2 LEU 64 - HA GLU 120 lone 5 52 - 9 - 1817/4.9=1, 3.1/1841=1 QD2 LEU 29 - HA PHE 38 lone 5 69 - 7 - 11063/4.9=2 QG2 ILE 91 - HA GLU 120 poor 5 31 - 15 - 3.2/4013=3, 3.3/8930=2...(8) QG1 VAL 63 - HA GLU 120 lone 4 56 - 8 - 10933/4048=2, 10935/4.9=1 QG1 VAL 53 - HA PHE 38 lone 3 64 - 5 - 9783/4.7=1 QD2 LEU 29 - HA GLU 120 lone 3 59 - 5 - 10840/3.6=2 QG1 VAL 53 - HA GLU 120 lone 2 54 - 3 - QG2 VAL 63 - HA GLU 120 lone 1 31 - 4 - Peak 8930 from cnoeabs.peaks (0.32, 4.17, 60.43 ppm; 4.56 A): 2 out of 6 assignments used, quality = 0.94: QD1 ILE 91 + HA TRP 88 OK 92 96 - 95 - 8930=29, 2.1/8929=26...(31) QD2 LEU 42 + HA TRP 88 OK 31 89 - 35 - 2.1/8157=6, 8812/8931=5...(14) QD1 ILE 91 - HA PHE 38 OK 26 64 - 41 - 2.1/8989=6, ~786=5...(12) QD1 ILE 91 - HA GLU 120 OK 15 54 - 28 - 2.1/4013=4, 2.1/8989=3...(12) QD2 LEU 42 - HA PHE 38 OK 13 57 - 23 - 4767/4.7=7, 5.1/6303=5...(5) QD2 LEU 42 - HA GLU 120 OK 10 48 - 21 - ~9439=14, 10703/4.9=2 Peak 8931 from cnoeabs.peaks (-1.13, 4.17, 60.43 ppm; 4.11 A): 2 out of 3 assignments used, quality = 0.78: QG1 VAL 82 + HA TRP 88 OK 76 96 - 79 - 8931=35, 8830/6.4=11...(20) QG1 VAL 82 + HA PHE 38 OK 10 64 - 16 - 8826=2, 11028/8989=2...(5) QG1 VAL 82 - HA GLU 120 poor 6 54 - 11 - 8883/8903=2, 8826/4.9=1 Peak 8932 from cnoeabs.peaks (0.76, 4.17, 60.43 ppm; 4.27 A): 5 out of 15 assignments used, quality = 0.97: QG2 VAL 73 + HA TRP 88 OK 61 100 - 61 - 11036/8931=12...(17) QD1 LEU 72 + HA TRP 88 OK 52 100 - 53 - 10168=11, 2.1/8932=10...(16) QD1 LEU 108 + HA TRP 88 OK 47 81 - 58 - ~10069=15, 2.1/9266=14...(17) QD2 LEU 72 + HA TRP 88 OK 47 99 - 47 - 8932=12, 2.1/10168=8...(14) QD1 ILE 136 + HA TRP 88 OK 40 100 - 40 - 9668/3.0=8, 9669/3.0=7...(11) QD1 LEU 72 - HA PHE 38 OK 18 71 - 25 - 10227/3.6=13...(5) QG2 VAL 73 - HA PHE 38 OK 14 70 - 20 - 3.9/8572=3, 2180/4.9=2...(8) QD2 LEU 72 - HA PHE 38 OK 11 68 - 16 - 9956/4.9=3, 8516/8507=2...(6) QD1 ILE 136 - HA PHE 38 lone 7 71 - 10 - 9685/8509=2, 10752/797=1 QD1 ILE 136 - HA GLU 120 poor 7 60 - 11 - 9669/4.9=4 QG2 VAL 73 - HA GLU 120 poor 7 60 - 11 - 3.2/11034=2, 3.9/8572=1 QD2 LEU 72 - HA GLU 120 lone 5 58 - 9 - 9559/3.8=3 QD1 LEU 72 - HA GLU 120 lone 5 60 - 8 - QD1 LEU 108 - HA PHE 38 lone 3 51 - 6 - 2.1/9266=2 QD1 LEU 108 - HA GLU 120 lone 2 42 - 4 - 10166/4.9=1 Peak 8937 from cnoeabs.peaks (3.61, 6.83, 113.40 ppm; 5.63 A): 1 out of 3 assignments used, quality = 0.97: HA ARG 109 + HZ2 TRP 88 OK 97 99 - 98 - 9268/2.5=47, 9267=37...(21) HA2 GLY 31 - HZ2 TRP 88 OK 17 66 - 26 - 10531/2.8=12, 4703/2.5=8...(6) HA LYS 61 - HZ2 TRP 88 OK 17 96 - 17 - 8728/8718=3...(7) Peak 8938 from cnoeabs.peaks (9.55, 6.83, 113.40 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.80: HE1 TRP 88 + HZ2 TRP 88 OK 80 80 - 100 - 2.8=100 Peak 8939 from cnoeabs.peaks (1.89, 6.83, 113.40 ppm; 6.74 A): 7 out of 9 assignments used, quality = 0.88: HB3 LEU 69 + HZ2 TRP 88 OK 63 80 - 79 - ~9888=38, 3.2/9927=33...(11) QE MET 68 + HZ2 TRP 88 OK 35 71 - 50 - 3.3/8415=12, 3.3/8417=11...(12) HB3 ARG 89 + HZ2 TRP 88 OK 15 95 - 16 - ~8918=6, 11115/10233=3...(4) HB3 LYS 93 + HZ2 TRP 88 OK 15 99 - 15 - 1.8/8940=6, 2.9/8941=2 HB3 ARG 140 + HZ2 TRP 88 OK 14 99 - 15 - ~8918=7, ~8919=2 HB2 LYS 24 + HZ2 TRP 88 OK 13 95 - 13 - 3.0/8942=3, 11341/5.0=2 HB3 GLN 111 + HZ2 TRP 88 OK 10 98 - 11 - 11024/8718=4, 2047/9927=1 HB ILE 101 - HZ2 TRP 88 poor 10 93 - 11 - 10131/9112=3, 2047/9927=1 HB3 ARG 141 - HZ2 TRP 88 lone 6 95 - 6 - 10131/9112=3 Peak 8940 from cnoeabs.peaks (1.84, 6.83, 113.40 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.54: HG LEU 69 + HZ2 TRP 88 OK 45 61 - 75 - ~9888=44, 2.1/9927=35...(8) HB3 LEU 126 + HZ2 TRP 88 OK 16 98 - 17 - 2048/9927=3, 4287/8718=3...(5) HB2 LYS 93 - HZ2 TRP 88 lone 10 99 - 10 - 1.8/8939=4, 2.9/8941=2 HB3 LYS 76 - HZ2 TRP 88 lone 7 71 - 10 - 2048/9927=2, 3.5/8941=2 HB3 GLU 28 - HZ2 TRP 88 lone 3 75 - 4 - Peak 8941 from cnoeabs.peaks (1.55, 6.83, 113.40 ppm; 5.19 A): 2 out of 8 assignments used, quality = 0.98: HB3 LEU 79 + HZ2 TRP 88 OK 88 98 - 90 - 3.1/8718=29, 3.6/8671=24...(13) HG2 ARG 109 + HZ2 TRP 88 OK 79 87 - 91 - 3.9/9267=26...(18) HD2 LYS 85 - HZ2 TRP 88 OK 19 71 - 27 - 3.0/4705=15, ~8921=7...(4) HG3 ARG 145 - HZ2 TRP 88 OK 13 71 - 19 - 3.0/10737=4, 3.0/10737=4...(9) HG2 ARG 145 - HZ2 TRP 88 OK 11 61 - 18 - 3.0/10737=4, 3.0/10737=4...(8) HG3 ARG 55 - HZ2 TRP 88 poor 9 90 - 10 - 2392/8718=2, 8920/2.8=2...(5) HG2 ARG 55 - HZ2 TRP 88 lone 8 83 - 10 - 2392/8718=2, 8920/2.8=2...(5) HB2 LEU 126 - HZ2 TRP 88 poor 8 61 - 12 - 1.8/8940=4 Peak 8942 from cnoeabs.peaks (1.31, 6.83, 113.40 ppm; 5.81 A): 2 out of 5 assignments used, quality = 0.99: HG LEU 79 + HZ2 TRP 88 OK 93 98 - 95 - 2.1/8718=36, 8921/2.8=33...(16) HG12 ILE 83 + HZ2 TRP 88 OK 91 93 - 99 - 2.1/10039=40...(21) HG2 LYS 85 - HZ2 TRP 88 OK 25 87 - 28 - 8921/2.8=11, 3.0/8941=3...(9) HG LEU 87 - HZ2 TRP 88 OK 20 80 - 25 - 7012/8.8=5, 10047/8828=5...(10) HG3 LYS 24 - HZ2 TRP 88 OK 14 90 - 15 - 3.0/8939=2, 3.0/8939=2...(7) Peak 8943 from cnoeabs.peaks (0.77, 6.83, 113.40 ppm; 4.02 A): 4 out of 4 assignments used, quality = 0.90: QD1 LEU 79 + HZ2 TRP 88 OK 77 93 - 83 - 8721/2.5=26, 2.1/8718=23...(17) QD2 LEU 95 + HZ2 TRP 88 OK 36 99 - 36 - 9975/2.5=7, 8720=6...(11) QG2 THR 74 + HZ2 TRP 88 OK 19 87 - 22 - 8944/2.5=4, 8720=3...(9) QD2 LEU 72 + HZ2 TRP 88 OK 13 71 - 19 - 8944/2.5=3, ~4707=3...(4) Peak 8944 from cnoeabs.peaks (0.78, 6.43, 122.14 ppm; 4.38 A): 4 out of 5 assignments used, quality = 0.91: QD1 LEU 79 + HH2 TRP 88 OK 80 96 - 83 - 8721=31, 9935/2.4=21...(15) QD2 LEU 95 + HH2 TRP 88 OK 33 100 - 33 - 8943/2.5=9, 9975=9...(7) QG2 THR 74 + HH2 TRP 88 OK 20 91 - 22 - 8943/2.5=5, 9935/2.4=4...(8) QD2 LEU 72 + HH2 TRP 88 OK 17 67 - 26 - 4706/2.5=4, ~8943=4...(10) QD2 LEU 126 - HH2 TRP 88 lone 3 62 - 4 - ~8940=2 Peak 8945 from cnoeabs.peaks (0.75, 6.53, 121.14 ppm; 4.94 A): 2 out of 5 assignments used, quality = 0.97: QD1 LEU 108 + HZ3 TRP 88 OK 82 100 - 83 - 9916=39, 3.2/10547=27...(13) QG2 VAL 73 + HZ3 TRP 88 OK 81 94 - 85 - 8555=45, 8556/2.4=41...(11) QD1 LEU 72 - HZ3 TRP 88 OK 45 89 - 51 - 8970/8999=7, 3.1/11067=6...(18) QD2 LEU 72 - HZ3 TRP 88 OK 32 72 - 44 - 3.2/11067=6, ~4707=5...(16) QD1 ILE 136 - HZ3 TRP 88 OK 26 92 - 29 - 8943/4.3=5, 9668/6.4=4...(10) Peak 8946 from cnoeabs.peaks (0.94, 6.53, 121.14 ppm; 5.17 A): 3 out of 3 assignments used, quality = 0.80: HB2 LEU 108 + HZ3 TRP 88 OK 55 72 - 76 - 3.2/9916=31, 10547=23...(14) QG2 ILE 91 + HZ3 TRP 88 OK 49 62 - 79 - 8999=23, 10080/2.4=20...(16) QG2 VAL 63 + HZ3 TRP 88 OK 11 62 - 18 - ~4782=7, 9894/8458=4...(4) Peak 8947 from cnoeabs.peaks (1.16, 4.29, 59.11 ppm; 3.82 A): 4 out of 4 assignments used, quality = 0.85: QG2 THR 92 + HA ARG 89 OK 70 89 - 78 - 2.1/2858=38, 3.0/8952=25...(12) QD1 LEU 69 + HA ARG 89 OK 31 100 - 31 - 10075/3.5=5, 9893/3.8=4...(13) HG2 LYS 76 + HA ARG 89 OK 18 100 - 18 - 9890/4.9=5, 10075/3.5=4...(7) HB2 LEU 72 + HA ARG 89 OK 14 100 - 14 - 10075/3.5=4, 3003/2858=2...(6) Peak 8948 from cnoeabs.peaks (0.87, 4.29, 59.11 ppm; 5.48 A): 7 out of 7 assignments used, quality = 0.92: QG2 ILE 136 + HA ARG 89 OK 51 85 - 60 - 8958/4.9=6, 10334/5.5=6...(31) QD1 LEU 97 + HA ARG 89 OK 44 92 - 48 - 9130/8947=10...(12) QG2 ILE 101 + HA ARG 89 OK 34 85 - 40 - 10143/5.5=6, 4.0/7184=3...(21) QD1 ILE 101 + HA ARG 89 OK 21 72 - 29 - 8958/4.9=4, 5.0/7184=3...(17) QD1 LEU 64 + HA ARG 89 OK 20 72 - 28 - 9019/2858=8, 9027/8947=7...(5) QG2 ILE 56 + HA ARG 89 OK 16 94 - 17 - 10143/5.5=3, 9027/8947=2...(6) HB3 LEU 42 + HA ARG 89 OK 13 99 - 13 - 9019/2858=4, 8950/5.5=3 Peak 8949 from cnoeabs.peaks (1.26, 4.29, 59.11 ppm; 4.50 A): 4 out of 6 assignments used, quality = 0.70: QG2 THR 99 + HA ARG 89 OK 46 99 - 46 - 10114/5.5=10...(8) HB3 LEU 97 + HA ARG 89 OK 24 96 - 25 - 10105/8947=7...(5) HB2 LEU 132 + HA ARG 89 OK 17 100 - 17 - 4479/4.9=3, 1.8/2850=2...(4) QG2 THR 102 + HA ARG 89 OK 12 98 - 12 - 10087/2858=3, 2.1/2858=2...(4) HG2 LYS 61 - HA ARG 89 lone 4 100 - 4 - HG3 LYS 61 - HA ARG 89 lone 4 99 - 4 - Peak 8952 from cnoeabs.peaks (5.01, 4.29, 59.11 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.65: HG1 THR 92 + HA ARG 89 OK 65 98 - 66 - 2.8/2858=37, 3.0/8947=27...(6) Peak 8957 from cnoeabs.peaks (0.78, 4.08, 58.53 ppm; 4.22 A): 4 out of 5 assignments used, quality = 0.53: QD2 LEU 95 + HA GLU 90 OK 30 100 - 30 - 9075/5.0=16, 8959/3.6=7...(5) QD1 LEU 79 + HA GLU 90 OK 14 98 - 15 - 9075/5.0=6, 8959/3.6=3 QD2 LEU 72 + HA GLU 90 OK 13 62 - 21 - 8959/3.6=7, 8962/5.0=5...(6) QG2 THR 74 + HA GLU 90 OK 11 94 - 12 - 8959/3.6=3, ~8956=2...(4) QD2 LEU 126 - HA GLU 90 lone 5 68 - 7 - 3.1/2915=3, 4309/2915=1 Peak 8962 from cnoeabs.peaks (0.77, 3.70, 62.58 ppm; 3.20 A): 4 out of 6 assignments used, quality = 0.95: QD2 LEU 72 + HA ILE 91 OK 67 98 - 68 - 8542/4.2=13, 3.9/11545=6...(28) QD1 LEU 72 + HA ILE 91 OK 59 89 - 66 - 8541/4.2=11, 9913/2.9=9...(26) QD1 ILE 136 + HA ILE 91 OK 39 85 - 46 - 4636=9, 2.1/4620=5...(21) QG2 VAL 73 + HA ILE 91 OK 35 81 - 43 - 8593/4.2=10, ~10648=8...(12) QD2 LEU 95 - HA ILE 91 OK 31 81 - 39 - 9075=11, 8959/2.9=5...(15) QD1 LEU 79 - HA ILE 91 OK 11 62 - 17 - 9075=4, ~8737=3...(7) Peak 8963 from cnoeabs.peaks (1.78, 3.70, 62.58 ppm; 4.53 A): 4 out of 9 assignments used, quality = 0.94: HG LEU 72 + HA ILE 91 OK 79 100 - 79 - 8972/3.2=15...(18) HB3 MET 59 + HA ILE 91 OK 47 96 - 49 - 8972/3.2=8, 3.0/2947=6...(20) HD3 LYS 34 + HA ILE 91 OK 25 89 - 29 - 8981/4.2=4, ~7050=4...(10) HD2 LYS 34 + HA ILE 91 OK 23 89 - 26 - ~7050=4, 8972/3.2=3...(10) HG2 PRO 57 - HA ILE 91 OK 18 100 - 18 - 8981/4.2=3, 8267/8369=3...(5) HB3 LYS 24 - HA ILE 91 OK 17 68 - 25 - ~11577=4, 3.0/2949=4...(10) HB3 ARG 145 - HA ILE 91 OK 17 92 - 18 - 3.0/10390=14, 8972/3.2=2 HG LEU 39 - HA ILE 91 poor 9 81 - 11 - 8972/3.2=4, 8134/11545=1 HB3 ARG 55 - HA ILE 91 lone 6 89 - 7 - 8972/3.2=2, 1414/3.6=1 Peak 8964 from cnoeabs.peaks (4.00, 3.70, 62.58 ppm; 4.10 A): 9 out of 10 assignments used, quality = 0.86: HA LYS 114 + HA ILE 91 OK 44 96 - 46 - 8975/3.2=10, 3735/3.8=8...(13) HA LEU 69 + HA ILE 91 OK 25 94 - 26 - 4.1/9928=10, 11533/3.2=6...(5) HB THR 107 + HA ILE 91 OK 22 77 - 29 - 2.1/3460=5, 3455=5...(10) HB2 SER 138 + HA ILE 91 OK 17 94 - 18 - 4.7/7787=3, 8975/3.2=3...(6) HB3 SER 138 + HA ILE 91 OK 17 94 - 18 - 4.7/7787=3, 8975/3.2=3...(5) HA LYS 123 + HA ILE 91 OK 14 68 - 21 - 3.7/2951=6, 4098/4.2=4...(7) HA MET 113 + HA ILE 91 OK 12 96 - 13 - ~7052=4, 8975/3.2=2, ~7053=2 HA GLU 122 + HA ILE 91 OK 11 96 - 12 - 11533/3.2=3, ~10081=1 HB3 SER 100 + HA ILE 91 OK 11 94 - 11 - 10473=7, ~7047=1 HB2 SER 103 - HA ILE 91 lone 2 94 - 2 - Peak 8967 from cnoeabs.peaks (0.75, 2.39, 35.83 ppm; 4.02 A): 5 out of 10 assignments used, quality = 1.00: QD1 LEU 72 + HB ILE 91 OK 90 96 - 93 - 8541/3.2=26, ~8542=15...(36) QG2 VAL 73 + HB ILE 91 OK 87 99 - 88 - 8593/3.2=30, ~8978=17...(23) QD2 LEU 72 + HB ILE 91 OK 79 85 - 92 - 8542/3.2=22, ~8541=15...(38) QD1 LEU 108 + HB ILE 91 OK 75 98 - 76 - 10553/4.7=14...(23) QD1 ILE 136 + HB ILE 91 OK 55 98 - 56 - 4636/3.0=8, 8967=6...(19) QD1 LEU 108 - HG3 GLU 37 OK 16 83 - 19 - 9914/4.4=10...(4) QG2 VAL 73 - HG3 GLU 37 OK 15 85 - 18 - 8564/4.4=11, 8593/2960=3 QD1 LEU 72 - HG3 GLU 37 OK 12 81 - 14 - 9959/4.4=5, 8541/2960=2...(5) QD1 ILE 136 - HG3 GLU 37 lone 6 83 - 7 - 4638/9181=2 QD2 LEU 72 - HG3 GLU 37 lone 5 69 - 7 - 8542/2960=2, 9028/9024=1 Peak 8968 from cnoeabs.peaks (1.14, 2.39, 35.83 ppm; 4.38 A): 4 out of 6 assignments used, quality = 0.94: HG LEU 64 + HB ILE 91 OK 80 99 - 81 - 8968=23, 8979/3.2=17...(22) QG2 THR 92 + HB ILE 91 OK 53 77 - 69 - 8979/3.2=20, 3.9/2961=16...(11) QG2 THR 92 + HG3 GLU 37 OK 21 61 - 35 - 9024=13, 10086/4.4=6...(7) QG2 THR 18 + HB ILE 91 OK 20 100 - 20 - 10856/3.0=12, 8979/3.2=3 HG LEU 64 - HG3 GLU 37 lone 8 85 - 9 - 8979/2960=2, 8353/8360=1 QG2 THR 18 - HG3 GLU 37 lone 2 86 - 3 - Peak 8969 from cnoeabs.peaks (1.15, 3.70, 62.58 ppm; 4.26 A): 3 out of 3 assignments used, quality = 0.93: QG2 THR 92 + HA ILE 91 OK 80 96 - 83 - 3005/3.6=27, 8979/4.2=17...(21) HG LEU 64 + HA ILE 91 OK 57 85 - 66 - 8979/4.2=12, 8968/3.0=12...(18) QG2 THR 18 + HA ILE 91 OK 20 89 - 22 - 10856=11, 8968/3.0=3...(5) Peak 8970 from cnoeabs.peaks (0.76, 0.93, 18.02 ppm; 2.51 A): 4 out of 5 assignments used, quality = 0.96: QD1 LEU 72 + QG2 ILE 91 OK 63 100 - 63 - 8541/3.3=10, 8970=10...(29) QD2 LEU 72 + QG2 ILE 91 OK 59 96 - 61 - 8542/3.3=10, 2.1/8970=8...(34) QG2 VAL 73 + QG2 ILE 91 OK 56 100 - 56 - 8593/3.3=12, 2.1/11030=8...(20) QD1 LEU 108 + QG2 ILE 91 OK 44 89 - 49 - 2.1/8970=10, 3511=9...(16) QD1 ILE 136 - QG2 ILE 91 OK 26 100 - 26 - 4636/3.2=3, 2.5/11577=2...(9) Peak 8971 from cnoeabs.peaks (1.16, 0.93, 18.02 ppm; 2.69 A): 4 out of 5 assignments used, quality = 0.95: HB2 LEU 72 + QG2 ILE 91 OK 67 100 - 68 - 4.4/10079=7, 3.0/8972=6...(38) QD1 LEU 69 + QG2 ILE 91 OK 55 100 - 55 - 9894=18, 9935/3.3=8...(13) HG2 LYS 76 + QG2 ILE 91 OK 49 100 - 49 - 8971=15, 8658/3.3=9...(17) QG2 THR 92 + QG2 ILE 91 OK 37 85 - 44 - 8971=14, 3.9/2969=8...(9) QD1 LEU 26 - QG2 ILE 91 lone 6 62 - 9 - 10575=2, ~10573=2...(4) Peak 8972 from cnoeabs.peaks (1.78, 0.93, 18.02 ppm; 3.42 A): 3 out of 9 assignments used, quality = 0.93: HG LEU 72 + QG2 ILE 91 OK 84 100 - 85 - 8972=17, 2.1/8970=13...(35) HB3 MET 59 + QG2 ILE 91 OK 40 99 - 40 - 8972=8, 3.0/2964=4...(19) HG LEU 39 + QG2 ILE 91 OK 22 89 - 25 - ~11497=5, 8972=5...(7) HD3 LYS 34 - QG2 ILE 91 OK 19 81 - 23 - 1.8/8972=3, 8981/3.3=3...(9) HD2 LYS 34 - QG2 ILE 91 OK 18 81 - 22 - 8972=4, ~10522=2...(9) HG2 PRO 57 - QG2 ILE 91 OK 12 100 - 12 - 8981/3.3=2, ~8266=1...(4) HB3 ARG 145 - QG2 ILE 91 poor 9 85 - 11 - ~10390=4, 8972=2...(4) HB3 ARG 35 - QG2 ILE 91 poor 9 68 - 13 - ~8986=2, 8972=2...(4) HB3 ARG 55 - QG2 ILE 91 lone 8 94 - 9 - 4.0/10618=2, 8972=2 Peak 8975 from cnoeabs.peaks (4.00, 0.93, 18.02 ppm; 4.11 A): 7 out of 7 assignments used, quality = 0.95: HA LYS 114 + QG2 ILE 91 OK 73 100 - 74 - 8975=17, 3735/3.2=10...(28) HA LEU 69 + QG2 ILE 91 OK 40 100 - 40 - 4.1/9894=12, 11533=10...(10) HA GLU 122 + QG2 ILE 91 OK 24 100 - 24 - 11533=5, ~11606=3...(7) HB3 SER 138 + QG2 ILE 91 OK 23 100 - 23 - 8975=5, 1.8/8975=4...(7) HB2 SER 138 + QG2 ILE 91 OK 23 100 - 23 - 8975=5, 1.8/8975=4...(7) HA MET 113 + QG2 ILE 91 OK 16 100 - 16 - 8975=3, 9319/8737=2...(5) HB3 SER 127 + QG2 ILE 91 OK 11 92 - 12 - 8975=3, ~8990=2, 8964/3.2=1 Peak 8976 from cnoeabs.peaks (4.18, 0.93, 18.02 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.95: HA TRP 88 + QG2 ILE 91 OK 81 94 - 86 - 8976=27, 2828/2.1=16...(23) HA LEU 64 + QG2 ILE 91 OK 58 96 - 61 - 8976=15, 2953/2.1=10...(20) HG1 THR 74 + QG2 ILE 91 OK 37 94 - 39 - 2.8/2963=6, 8989/3.2=4...(19) HA PHE 38 - QG2 ILE 91 OK 25 92 - 27 - ~786=5, ~6242=3...(10) HA GLU 120 - QG2 ILE 91 OK 10 68 - 15 - 4.9/8974=3, 4013/3.2=2...(6) HA CYS 121 - QG2 ILE 91 lone 6 89 - 7 - 4.9/11533=2, 3.6/10081=2 Peak 8977 from cnoeabs.peaks (0.76, 0.32, 10.52 ppm; 2.58 A): 3 out of 5 assignments used, quality = 0.97: QD2 LEU 72 + QD1 ILE 91 OK 69 100 - 69 - 8542=17, 2.1/8541=14...(29) QG2 VAL 73 + QD1 ILE 91 OK 68 98 - 70 - 8593=26, 2.1/8978=15...(22) QD1 LEU 72 + QD1 ILE 91 OK 66 100 - 67 - 8541=16, 2.1/8542=15...(23) QD1 LEU 108 - QD1 ILE 91 OK 25 68 - 38 - 2.1/8977=6, 8541=4...(16) QD1 ILE 136 - QD1 ILE 91 OK 24 99 - 24 - 4636/4.2=2, 4.2/2987=2...(6) Peak 8978 from cnoeabs.peaks (0.09, 0.32, 10.52 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.57: QG1 VAL 73 + QD1 ILE 91 OK 57 68 - 85 - 2.1/8593=36, 3.2/8582=23...(21) Peak 8979 from cnoeabs.peaks (1.15, 0.32, 10.52 ppm; 3.05 A): 2 out of 3 assignments used, quality = 0.75: QG2 THR 92 + QD1 ILE 91 OK 58 96 - 60 - 8979=21, 3.9/7073=10...(11) HG LEU 64 + QD1 ILE 91 OK 40 85 - 47 - 8979=16, 8968/3.2=5...(17) QG2 THR 18 - QD1 ILE 91 lone 8 89 - 8 - 10856/4.2=3, 8968/3.2=1 Peak 8980 from cnoeabs.peaks (1.53, 0.32, 10.52 ppm; 3.38 A): 3 out of 10 assignments used, quality = 0.95: HD2 LYS 76 + QD1 ILE 91 OK 74 100 - 74 - 8663=24, 1.8/8666=22...(17) HG3 LYS 76 + QD1 ILE 91 OK 72 99 - 73 - 1.8/8658=18, 3.0/8666=17...(16) HB2 LYS 123 + QD1 ILE 91 OK 34 62 - 55 - 1.8/4122=9, 3.0/4144=8...(20) HG2 LYS 93 - QD1 ILE 91 OK 29 99 - 29 - 8661=5, 1.8/2990=5...(10) QB ALA 135 - QD1 ILE 91 OK 21 92 - 23 - 9654/4.2=12, 8980=3 HB2 LEU 29 - QD1 ILE 91 OK 14 94 - 15 - 8980=3, 3.2/2989=1...(4) HG3 PRO 57 - QD1 ILE 91 poor 9 72 - 13 - 1.8/8981=3, 8980=2...(4) HG3 LYS 85 - QD1 ILE 91 poor 9 81 - 11 - 8980=3, 10049/10062=2 HG2 ARG 55 - QD1 ILE 91 lone 6 72 - 9 - 3.0/8985=3, 3.0/8985=2 HG3 ARG 55 - QD1 ILE 91 lone 5 62 - 8 - 3.0/8985=3, 3.0/8985=2 Peak 8981 from cnoeabs.peaks (1.80, 0.32, 10.52 ppm; 3.41 A): 5 out of 9 assignments used, quality = 0.95: HB3 LEU 72 + QD1 ILE 91 OK 71 85 - 83 - 3.2/8542=21, 3.1/8541=21...(26) HG LEU 72 + QD1 ILE 91 OK 55 68 - 81 - 2.1/8542=27, 2.1/8541=27...(23) HB3 LYS 24 + QD1 ILE 91 OK 36 100 - 36 - 11331/2.1=5, ~10883=4...(14) HD3 LYS 34 + QD1 ILE 91 OK 21 96 - 22 - 8981=5, 1.8/8981=4...(7) HD2 LYS 34 + QD1 ILE 91 OK 21 96 - 22 - 8981=5, 1.8/8981=4...(6) HB2 ARG 124 - QD1 ILE 91 lone 9 100 - 9 - 9481/8542=1, 6760/8996=1 HG2 PRO 57 - QD1 ILE 91 poor 7 62 - 12 - 8981=2, ~8266=2, 1.8/8980=2 HB3 ARG 145 - QD1 ILE 91 lone 6 94 - 6 - 8981=1, 4.0/8996=1 HD3 LYS 86 - QD1 ILE 91 lone 4 100 - 4 - Peak 8982 from cnoeabs.peaks (2.01, 0.32, 10.52 ppm; 4.48 A): 4 out of 7 assignments used, quality = 0.95: HB3 GLU 90 + QD1 ILE 91 OK 58 85 - 68 - 1.8/10077=25...(8) HB2 GLU 90 + QD1 ILE 91 OK 52 77 - 67 - 4.7/7059=23, 10077=17...(12) HB2 GLU 37 + QD1 ILE 91 OK 50 100 - 50 - 4.0/8993=17, 3.0/2960=8...(18) HB3 GLU 37 + QD1 ILE 91 OK 49 98 - 50 - 4.0/8993=17, 3.0/2960=8...(18) QE MET 11 - QD1 ILE 91 OK 31 72 - 42 - 10600/2.1=16...(8) HG3 PRO 52 - QD1 ILE 91 OK 19 68 - 28 - ~8986=9, ~8986=7, 8982=3...(6) HG3 GLU 122 - QD1 ILE 91 OK 14 81 - 17 - 3.0/11606=6, 3.0/11036=3...(4) Peak 8983 from cnoeabs.peaks (2.75, 0.32, 10.52 ppm; 3.82 A): 3 out of 9 assignments used, quality = 0.95: HE2 LYS 76 + QD1 ILE 91 OK 70 92 - 77 - 3.0/8666=21, 3.0/8663=20...(18) HE2 LYS 114 + QD1 ILE 91 OK 61 89 - 68 - 8983=9, 3.7/2991=8...(24) HE3 LYS 76 + QD1 ILE 91 OK 59 77 - 76 - 3.0/8666=21, 3.0/8663=20...(21) HG3 MET 113 - QD1 ILE 91 OK 21 100 - 21 - 8983=4, 10071/10077=3...(6) HB3 ASP 40 - QD1 ILE 91 OK 20 99 - 20 - 3.3/9002=8, 8983=4...(5) HB3 PHE 43 - QD1 ILE 91 OK 12 99 - 12 - 8983=2, ~10642=2...(4) HB2 ASN 54 - QD1 ILE 91 lone 9 100 - 9 - 10449/9002=4, 8983=2 HB3 ASP 137 - QD1 ILE 91 lone 7 99 - 7 - HB2 ASN 96 - QD1 ILE 91 lone 5 77 - 6 - 3.5/8994=2, 8983=1 Peak 8985 from cnoeabs.peaks (3.20, 0.32, 10.52 ppm; 3.26 A): 2 out of 7 assignments used, quality = 0.84: HA VAL 73 + QD1 ILE 91 OK 82 96 - 85 - 8582=33, 3.2/8593=21...(26) HD3 ARG 55 + QD1 ILE 91 OK 11 89 - 13 - 8985=3, 1.8/8985=2, 2180/8593=1 HD3 ARG 144 - QD1 ILE 91 lone 7 94 - 8 - 8985=2, 1.8/8985=1 HD2 ARG 55 - QD1 ILE 91 poor 6 62 - 10 - 1.8/8985=3, 2180/8593=1, 8985=1 HD2 ARG 144 - QD1 ILE 91 lone 6 77 - 7 - 1.8/8985=2, 8985=2 HD2 ARG 141 - QD1 ILE 91 lone 5 96 - 5 - 8985=2 HD3 ARG 141 - QD1 ILE 91 lone 4 85 - 5 - 1.8/8985=1, 8985=1 Peak 8986 from cnoeabs.peaks (2.05, 1.05, 27.10 ppm; 5.05 A): 5 out of 5 assignments used, quality = 0.76: HB2 PRO 52 + HG13 ILE 91 OK 42 98 - 43 - 8986=20, 3.9/6501=9...(10) HA ARG 35 + HG13 ILE 91 OK 33 92 - 36 - 3.6/8997=15, 585=5...(10) HG2 PRO 98 + HG13 ILE 91 OK 18 99 - 18 - 8986=8, 1.8/8986=6 HG3 PRO 98 + HG13 ILE 91 OK 16 92 - 18 - 8986=7, 1.8/8986=7 HB2 PRO 33 + HG13 ILE 91 OK 11 85 - 13 - 8986=5, ~11619=3, ~11478=2 Peak 8989 from cnoeabs.peaks (4.17, 1.05, 27.10 ppm; 4.22 A): 3 out of 8 assignments used, quality = 0.98: HA TRP 88 + HG13 ILE 91 OK 91 100 - 91 - 8929=30, 10067/1.8=24...(19) HA LEU 64 + HG13 ILE 91 OK 55 100 - 55 - 2953/3.0=10, 8976/3.2=9...(17) HG1 THR 74 + HG13 ILE 91 OK 48 100 - 48 - 8976/3.2=5, ~8615=5...(19) HA PHE 38 - HG13 ILE 91 OK 37 99 - 37 - 3.6/10759=8, 8989=6...(11) HB3 SER 44 - HG13 ILE 91 OK 22 72 - 30 - ~9817=5, ~8991=5...(10) HB2 SER 44 - HG13 ILE 91 OK 22 72 - 30 - ~9817=5, ~8991=5...(10) HA GLU 120 - HG13 ILE 91 OK 17 85 - 19 - 4013/1.8=5, 8989=3...(6) HA CYS 121 - HG13 ILE 91 lone 5 72 - 7 - 4.9/8989=1, 8989=1 Peak 8990 from cnoeabs.peaks (3.84, 0.32, 10.52 ppm; 4.06 A): 5 out of 7 assignments used, quality = 0.95: HA LEU 72 + QD1 ILE 91 OK 83 92 - 90 - 3.8/8541=24, 3.9/8542=24...(23) HA ALA 104 + QD1 ILE 91 OK 31 100 - 31 - 2.8/8996=6, 9194/8979=4...(10) HA MET 68 + QD1 ILE 91 OK 30 100 - 30 - 8990=8, 2142/8542=4...(11) HB2 SER 127 + QD1 ILE 91 OK 21 100 - 21 - 1.8/8992=3, 8640/8644=2...(9) HA GLN 133 + QD1 ILE 91 OK 17 92 - 19 - 9619/4144=2, 9618/8541=2...(6) HD2 PRO 118 - QD1 ILE 91 poor 10 77 - 12 - 8990=3 HB2 SER 100 - QD1 ILE 91 lone 5 85 - 6 - Peak 8991 from cnoeabs.peaks (4.16, 0.32, 10.52 ppm; 3.80 A): 5 out of 11 assignments used, quality = 0.96: HA LYS 76 + QD1 ILE 91 OK 66 98 - 68 - 3.0/8994=17, 8991=16...(14) HA TRP 88 + QD1 ILE 91 OK 57 72 - 78 - 8930=12, 3.0/2986=12...(25) HB2 SER 44 + QD1 ILE 91 OK 35 100 - 35 - 8991=8, 1.8/8991=6...(11) HB3 SER 44 + QD1 ILE 91 OK 35 100 - 35 - 8991=8, 1.8/8991=6...(12) HA LEU 64 + QD1 ILE 91 OK 33 68 - 49 - 3.7/8979=13, 3.0/2989=7...(18) HG1 THR 74 - QD1 ILE 91 OK 31 72 - 42 - 5.1/11678=8, 2.8/2987=7...(18) HA GLU 120 - QD1 ILE 91 OK 22 96 - 23 - 8991=5, 4013/2.1=5...(7) HA PHE 38 - QD1 ILE 91 OK 20 77 - 26 - 8991=5, ~786=3...(8) HA LEU 126 - QD1 ILE 91 OK 13 92 - 15 - 8991=3, 2296/8663=2...(7) HA3 GLY 125 - QD1 ILE 91 lone 6 100 - 6 - 8991=1 HA GLU 131 - QD1 ILE 91 lone 3 68 - 5 - Peak 8993 from cnoeabs.peaks (7.20, 0.32, 10.52 ppm; 4.24 A): 4 out of 5 assignments used, quality = 0.93: HE3 TRP 88 + QD1 ILE 91 OK 80 100 - 80 - 2.5/8995=28, ~8999=17...(21) H GLU 37 + QD1 ILE 91 OK 38 72 - 52 - 8998/3.3=10, 10079/2.1=7...(17) QD TYR 27 + QD1 ILE 91 OK 27 100 - 27 - 8997/2.1=7, 8998/3.3=5...(7) H LYS 36 + QD1 ILE 91 OK 26 68 - 39 - 3.9/8993=15, 8997/2.1=11...(7) HE3 TRP 17 - QD1 ILE 91 lone 4 62 - 6 - 8998/3.3=1 Peak 8994 from cnoeabs.peaks (6.79, 0.32, 10.52 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.86: H LYS 76 + QD1 ILE 91 OK 80 100 - 80 - 5.1/8658=13...(24) QE TYR 112 + QD1 ILE 91 OK 20 85 - 24 - 2163/8582=4, 2306/8666=3...(13) HD21 ASN 96 + QD1 ILE 91 OK 12 81 - 14 - ~9094=2, 8554/8593=2...(5) HE21 GLN 133 - QD1 ILE 91 poor 7 62 - 12 - 8554/8593=3, 8547/8996=2...(4) Peak 8995 from cnoeabs.peaks (6.54, 0.32, 10.52 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.48: HZ3 TRP 88 + QD1 ILE 91 OK 48 62 - 77 - 8999/3.3=24, ~10080=17...(16) HE22 GLN 22 - QD1 ILE 91 lone 6 89 - 6 - 9919/8978=2, 11292/3.3=1 Peak 8996 from cnoeabs.peaks (8.01, 0.32, 10.52 ppm; 3.74 A): 3 out of 6 assignments used, quality = 0.88: H VAL 73 + QD1 ILE 91 OK 81 89 - 91 - 8996=29, 3.0/8582=24...(19) H ALA 104 + QD1 ILE 91 OK 23 94 - 25 - 2.8/8990=4, 10083/3.3=3...(11) H GLN 47 + QD1 ILE 91 OK 14 62 - 22 - 8996=6, ~10713=4...(5) H ARG 140 - QD1 ILE 91 poor 10 77 - 12 - 10083/3.3=2, 2179/8593=2...(4) H ARG 145 - QD1 ILE 91 lone 8 100 - 8 - 10083/3.3=2 H THR 51 - QD1 ILE 91 lone 2 92 - 3 - 10684/10702=1 Peak 8997 from cnoeabs.peaks (7.20, 1.05, 27.10 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.90: HE3 TRP 88 + HG13 ILE 91 OK 75 100 - 75 - ~8995=20, ~8999=20...(12) H LYS 36 + HG13 ILE 91 OK 39 89 - 44 - 8997=13, 3.6/8986=7...(13) QD TYR 27 + HG13 ILE 91 OK 33 99 - 34 - 3.7/8044=9, 8993/2.1=6...(9) Peak 8998 from cnoeabs.peaks (7.21, 0.93, 18.02 ppm; 3.62 A): 4 out of 5 assignments used, quality = 0.89: HE3 TRP 88 + QG2 ILE 91 OK 66 92 - 72 - 2.5/8999=30...(14) H GLU 37 + QG2 ILE 91 OK 48 94 - 51 - 8998=21, 6230/2.1=8...(13) QD TYR 27 + QG2 ILE 91 OK 23 94 - 25 - 8997/3.2=4, 3.7/8045=4...(10) QD PHE 45 + QG2 ILE 91 OK 20 72 - 27 - 8998=10, 9000/4.0=4...(7) HE3 TRP 17 - QG2 ILE 91 lone 6 89 - 7 - 9004/4.3=1 Peak 8999 from cnoeabs.peaks (6.53, 0.93, 18.02 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.65: HZ3 TRP 88 + QG2 ILE 91 OK 65 99 - 66 - 2.4/10080=23...(16) Peak 9001 from cnoeabs.peaks (7.80, 3.70, 62.58 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.69: H GLY 94 + HA ILE 91 OK 65 89 - 73 - 3.2/7082=20...(18) H SER 44 + HA ILE 91 OK 11 72 - 16 - 10082/3.2=5, ~9817=5, 9793/3.0=2 Peak 9002 from cnoeabs.peaks (8.58, 0.32, 10.52 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.76: H LEU 72 + QD1 ILE 91 OK 65 72 - 89 - 3.0/8996=27, 4.9/8541=19...(21) H ASP 40 + QD1 ILE 91 OK 32 92 - 34 - 9002=13, 3.6/11062=4...(9) Peak 9003 from cnoeabs.peaks (7.55, 3.65, 66.86 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.73: H LEU 95 + HA THR 92 OK 55 77 - 71 - 4.7/10095=16...(17) H LYS 86 + HA THR 92 OK 24 98 - 25 - 3.0/10050=6, 6970/4.8=3...(7) H TRP 88 + HA THR 92 OK 20 72 - 27 - ~7063=7, 7067/2.9=4...(7) HD21 ASN 54 - HA THR 92 lone 3 98 - 3 - 9103/9116=1 Peak 9005 from cnoeabs.peaks (7.53, 1.15, 22.16 ppm; 3.83 A): 3 out of 3 assignments used, quality = 0.95: H ILE 91 + QG2 THR 92 OK 84 100 - 84 - 3.5/3005=25, 10085=14...(19) H LEU 95 + QG2 THR 92 OK 52 85 - 60 - 4.7/10087=14, 9058=10...(18) H TRP 88 + QG2 THR 92 OK 29 89 - 33 - 7067/3.9=6, 7081/4.4=3...(12) Peak 9008 from cnoeabs.peaks (5.01, 4.24, 67.71 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.96: HG1 THR 92 + HB THR 92 OK 96 96 - 100 - 2.8=100 Peak 9009 from cnoeabs.peaks (5.03, 1.15, 22.16 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.81: HG1 THR 92 + QG2 THR 92 OK 81 81 - 100 - 3.0=100 Peak 9011 from cnoeabs.peaks (3.10, 1.15, 22.16 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.49: HB3 ASN 96 + QG2 THR 92 OK 30 62 - 48 - ~10123=13, ~10102=10...(7) HA ALA 105 + QG2 THR 92 OK 27 72 - 38 - 9198/10088=12...(8) HA TYR 119 - QG2 THR 92 lone 4 68 - 6 - HB3 HIS 10 - QG2 THR 92 lone 3 99 - 3 - Peak 9016 from cnoeabs.peaks (1.68, 3.65, 66.86 ppm; 3.78 A): 3 out of 10 assignments used, quality = 0.97: HG LEU 97 + HA THR 92 OK 85 98 - 87 - 2.1/9116=22, 2.1/9124=19...(28) HD2 LYS 93 + HA THR 92 OK 60 100 - 60 - 9016=15, 3067/3.6=11...(18) HB2 LEU 95 + HA THR 92 OK 42 72 - 58 - 1.8/9016=12, 3.9/9003=10...(15) HG3 ARG 141 - HA THR 92 OK 31 99 - 31 - 3.8/2996=4, 4805/3.0=4...(13) HG2 ARG 89 - HA THR 92 OK 22 72 - 30 - ~10096=5, ~9022=5...(10) HD3 LYS 48 - HA THR 92 OK 20 96 - 21 - 3067/3.6=7, 3016/4.8=4...(4) HD2 LYS 48 - HA THR 92 OK 11 72 - 15 - 7092/3.6=3, 3016/4.8=3 HG LEU 26 - HA THR 92 poor 10 85 - 11 - 3227/9116=2, 3220/9124=2...(4) HB VAL 71 - HA THR 92 lone 6 72 - 8 - ~8518=3 HB2 ARG 145 - HA THR 92 lone 4 85 - 5 - Peak 9017 from cnoeabs.peaks (0.86, 3.65, 66.86 ppm; 3.50 A): 3 out of 5 assignments used, quality = 0.93: QD2 LEU 97 + HA THR 92 OK 63 77 - 82 - 2.1/9116=19, 9124=12...(28) QD1 LEU 64 + HA THR 92 OK 60 100 - 60 - 9027/3.2=17, 2.1/2997=10...(15) QG2 ILE 83 + HA THR 92 OK 55 100 - 56 - 2515=11, 9027/3.2=10...(19) HB3 LEU 42 - HA THR 92 OK 19 85 - 22 - 9027/3.2=4, 3.0/9067=4...(9) QG2 ILE 56 - HA THR 92 OK 19 94 - 20 - 1457/2.9=2, ~11578=2...(9) Peak 9018 from cnoeabs.peaks (0.74, 3.65, 66.86 ppm; 3.76 A): 5 out of 5 assignments used, quality = 0.92: QD1 LEU 108 + HA THR 92 OK 60 100 - 60 - 10553/2.9=19...(11) QD1 LEU 72 + HA THR 92 OK 44 72 - 61 - 10230=15, 2.1/9018=11...(16) QD2 LEU 108 + HA THR 92 OK 36 68 - 54 - 2.1/10167=13, ~10553=11...(13) QG2 VAL 73 + HA THR 92 OK 24 81 - 29 - 9028/3.2=5, 3.2/10086=4...(11) QD1 ILE 136 + HA THR 92 OK 21 77 - 28 - 9018=5, 9028/3.2=4...(9) Peak 9019 from cnoeabs.peaks (0.88, 4.24, 67.71 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.95: QD1 LEU 97 + HB THR 92 OK 90 98 - 92 - 9130/2.1=29, 9113=21...(27) HB3 LEU 42 + HB THR 92 OK 27 94 - 29 - 9027/2.1=8, ~9029=4...(10) QG2 ILE 101 + HB THR 92 OK 26 94 - 27 - 4.1/10148=6, ~9025=3...(10) QG2 ILE 136 - HB THR 92 OK 25 94 - 27 - 3.0/9020=4, 9027/2.1=3...(10) QG2 ILE 56 - HB THR 92 OK 19 85 - 23 - 9027/2.1=5, ~11578=5...(6) QD1 ILE 101 - HB THR 92 OK 18 85 - 21 - 3.2/9023=2, ~9025=2...(11) Peak 9020 from cnoeabs.peaks (0.74, 4.24, 67.71 ppm; 4.70 A): 4 out of 5 assignments used, quality = 0.94: QD1 LEU 108 + HB THR 92 OK 71 100 - 71 - 9259=31, 10553/4.0=23...(9) QD1 LEU 72 + HB THR 92 OK 51 72 - 71 - 10229/2.8=18...(15) QD2 LEU 108 + HB THR 92 OK 43 68 - 63 - 2.1/9259=30, ~9028=10...(9) QG2 VAL 73 + HB THR 92 OK 31 81 - 38 - 9028/2.1=8, 9020=6...(10) QD1 ILE 136 - HB THR 92 OK 25 77 - 33 - 9020=6, 9028/2.1=5...(8) Peak 9021 from cnoeabs.peaks (1.62, 4.24, 67.71 ppm; 4.23 A): 4 out of 7 assignments used, quality = 0.85: HB3 LEU 64 + HB THR 92 OK 69 94 - 73 - 9026/2.1=21, 3.2/9019=13...(14) HG3 ARG 144 + HB THR 92 OK 29 94 - 30 - 9026/2.1=6, 3.0/9023=6...(7) HD2 LYS 24 + HB THR 92 OK 21 98 - 21 - 9026/2.1=8, 10081/3.0=4...(5) HB2 LEU 87 + HB THR 92 OK 15 92 - 16 - 9026/2.1=5, 10081/3.0=3...(6) HG3 LYS 34 - HB THR 92 lone 9 98 - 10 - 9026/2.1=4, 10081/3.0=1 HG3 ARG 49 - HB THR 92 lone 8 89 - 9 - 9026/2.1=2, ~10082=2 HB3 LEU 26 - HB THR 92 lone 4 77 - 6 - 9026/2.1=2 Peak 9022 from cnoeabs.peaks (1.72, 4.24, 67.71 ppm; 4.47 A): 6 out of 6 assignments used, quality = 0.88: HG3 ARG 89 + HB THR 92 OK 54 100 - 54 - 3.8/2858=33...(6) HG LEU 66 + HB THR 92 OK 37 100 - 37 - 10096/2.1=11, ~9891=10...(6) HB3 ARG 144 + HB THR 92 OK 29 92 - 31 - 1.8/9023=8, 10096/2.1=7...(7) HB3 GLU 81 + HB THR 92 OK 24 98 - 24 - 10096/2.1=7, ~10085=6...(6) HB3 ARG 109 + HB THR 92 OK 14 100 - 14 - 10096/2.1=5, ~11617=2...(5) HD2 LYS 36 + HB THR 92 OK 11 85 - 12 - 10096/2.1=4, ~10100=3 Peak 9023 from cnoeabs.peaks (1.88, 4.24, 67.71 ppm; 4.77 A): 6 out of 7 assignments used, quality = 0.84: HB3 LYS 93 + HB THR 92 OK 47 62 - 75 - 4.1/3004=26, ~10106=21...(15) HB2 ARG 144 + HB THR 92 OK 35 99 - 35 - 1.8/9022=7, 3.0/9021=7...(8) HB3 ARG 141 + HB THR 92 OK 29 77 - 38 - 2.8/4805=5, ~2996=3...(15) HB3 LYS 48 + HB THR 92 OK 14 100 - 14 - 2.9/9021=3, ~10089=2...(5) HB2 LYS 36 + HB THR 92 OK 14 100 - 14 - ~10084=6, ~10100=3, 3.6/9022=2 HB2 LYS 48 + HB THR 92 OK 11 94 - 12 - 2.9/9021=3, ~10089=2...(4) HB3 LYS 85 - HB THR 92 lone 4 68 - 6 - ~9016=2, 1.8/9022=1 Peak 9024 from cnoeabs.peaks (2.38, 1.15, 22.16 ppm; 4.39 A): 5 out of 7 assignments used, quality = 0.94: HB ILE 91 + QG2 THR 92 OK 70 89 - 78 - 4.7/3005=23, 3.2/8979=21...(14) HG2 MET 59 + QG2 THR 92 OK 38 98 - 39 - 3.4/10097=8, 3.7/9033=6...(12) HG3 MET 11 + QG2 THR 92 OK 36 100 - 36 - 8018/3.2=6, 3.3/10083=5...(11) HG3 MET 59 + QG2 THR 92 OK 33 89 - 37 - 3.4/10097=8, 3.7/9033=6...(9) HG3 GLU 37 + QG2 THR 92 OK 33 98 - 33 - 4.4/10086=10...(8) HG2 GLN 25 - QG2 THR 92 OK 13 89 - 15 - 7069/3.9=3, 10586/8971=1...(4) HG2 MET 46 - QG2 THR 92 OK 12 85 - 14 - 7069/3.9=2, ~10086=2 Peak 9025 from cnoeabs.peaks (1.91, 1.15, 22.16 ppm; 3.72 A): 4 out of 12 assignments used, quality = 0.93: HB3 ARG 89 + QG2 THR 92 OK 68 92 - 74 - 3.0/8947=21, ~2858=15...(13) HG13 ILE 83 + QG2 THR 92 OK 53 96 - 55 - 3.2/9027=12, 2531/3.2=7...(17) HB ILE 136 + QG2 THR 92 OK 34 99 - 34 - 2.5/9028=6...(12) QE MET 68 + QG2 THR 92 OK 30 100 - 30 - 8451/3.2=5, 4.6/10084=4...(10) HB2 LYS 24 - QG2 THR 92 OK 26 92 - 28 - 3.0/10085=6, 3.7/9026=5...(8) HB ILE 101 - QG2 THR 92 OK 25 94 - 27 - 10127/10088=10...(7) HB3 LEU 69 - QG2 THR 92 OK 23 100 - 23 - 9014/3.9=2, 9199/10088=2...(8) HB2 MET 59 - QG2 THR 92 OK 22 81 - 28 - 3.0/9033=5, 4.2/10097=5...(10) HG3 PRO 12 - QG2 THR 92 OK 19 62 - 30 - 3.8/11578=11, 2.3/3006=5...(9) HB2 LYS 86 - QG2 THR 92 lone 7 92 - 8 - ~10050=2 HB3 GLN 111 - QG2 THR 92 lone 7 85 - 8 - 1.8/10083=2 HB2 PRO 118 - QG2 THR 92 lone 5 72 - 7 - 3.0/10084=2 Peak 9026 from cnoeabs.peaks (1.63, 1.15, 22.16 ppm; 3.13 A): 3 out of 7 assignments used, quality = 0.56: HB3 LEU 64 + QG2 THR 92 OK 39 77 - 51 - 3.2/9027=14, 1.8/1820=9...(14) HD2 LYS 24 + QG2 THR 92 OK 18 100 - 18 - 3.0/10100=4, 9021/2.1=2...(7) HG3 ARG 144 + QG2 THR 92 OK 13 77 - 17 - 3.0/10082=3, 9021/2.1=3...(7) HG3 LYS 34 - QG2 THR 92 lone 9 100 - 10 - 9131/9031=3, 1851/9027=1 HB2 LEU 87 - QG2 THR 92 poor 9 72 - 12 - 4.6/9005=2, 9021/2.1=2...(5) HG3 ARG 49 - QG2 THR 92 lone 4 68 - 6 - 3.0/10082=2 HB3 LEU 26 - QG2 THR 92 lone 4 94 - 4 - Peak 9027 from cnoeabs.peaks (0.87, 1.15, 22.16 ppm; 2.62 A): 7 out of 7 assignments used, quality = 0.88: QD1 LEU 97 + QG2 THR 92 OK 53 81 - 65 - 9130=17, 3.2/10099=8...(26) QD1 LEU 64 + QG2 THR 92 OK 40 85 - 47 - 1852=10, 3.2/9026=7...(13) QG2 ILE 56 + QG2 THR 92 OK 19 99 - 19 - 3.2/11578=4, 2.1/10083=3...(6) QG2 ILE 83 + QG2 THR 92 OK 18 68 - 27 - 9019/2.1=5, 3.2/3006=3...(11) HB3 LEU 42 + QG2 THR 92 OK 16 100 - 16 - 3.0/9074=3, 9019/2.1=3...(6) QG2 ILE 136 + QG2 THR 92 OK 12 72 - 17 - 3.0/9028=3, 9195/10088=2...(4) QG2 ILE 101 + QG2 THR 92 OK 10 72 - 14 - 9195/10088=3, 2.1/9025=2 Peak 9028 from cnoeabs.peaks (0.76, 1.15, 22.16 ppm; 2.71 A): 5 out of 5 assignments used, quality = 0.88: QD1 LEU 72 + QG2 THR 92 OK 49 100 - 49 - 10230/3.2=8, 10229/3.0=8...(17) QD2 LEU 72 + QG2 THR 92 OK 46 99 - 47 - ~10229=5, 2143=5...(19) QG2 VAL 73 + QG2 THR 92 OK 26 100 - 26 - 8595=4, 8593/8979=4...(8) QD1 LEU 108 + QG2 THR 92 OK 26 81 - 32 - 9259/2.1=8, 10553/3.9=5...(7) QD1 ILE 136 + QG2 THR 92 OK 22 100 - 22 - 9018/3.2=3, 9035/4.4=2...(5) Peak 9029 from cnoeabs.peaks (0.32, 1.15, 22.16 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 91 + QG2 THR 92 OK 87 96 - 90 - 7073/3.9=28, 8979=24...(31) QD2 LEU 42 + QG2 THR 92 OK 52 89 - 58 - 2.1/9074=10, 3.1/9027=8...(21) Peak 9033 from cnoeabs.peaks (4.55, 1.15, 22.16 ppm; 4.71 A): 3 out of 4 assignments used, quality = 0.96: HA LEU 97 + QG2 THR 92 OK 90 100 - 91 - 3.7/9130=27...(22) HA MET 59 + QG2 THR 92 OK 39 98 - 40 - 4.6/10097=7, 3.0/9025=5...(12) HA PRO 98 + QG2 THR 92 OK 35 92 - 38 - 3.6/9031=24, 3224/9130=4...(7) HA GLU 28 - QG2 THR 92 lone 7 92 - 7 - 3234/9031=2, 8058/8074=1 Peak 9040 from cnoeabs.peaks (3.65, 4.22, 58.90 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: HA THR 92 + HA LYS 93 OK 100 100 - 100 - 4.8=100 HA ILE 83 - HA LYS 93 OK 22 77 - 28 - 9086/10090=7, 7084/2.9=5...(9) HD3 PRO 12 - HA LYS 93 OK 12 92 - 13 - 7084/2.9=3, 7108/3.6=3...(4) Peak 9041 from cnoeabs.peaks (3.66, 1.41, 24.58 ppm; 5.97 A): 4 out of 6 assignments used, quality = 0.94: HA THR 92 + HG3 LYS 93 OK 84 94 - 89 - 4.8/3015=27, 3.6/3056=26...(19) HA ILE 83 + HG3 LYS 93 OK 36 94 - 39 - 9042/1.8=8, 9040/4.0=6...(11) HA THR 92 + HG2 LYS 24 OK 35 64 - 55 - 4.8/3015=10, 3.6/3056=9...(17) HA ILE 83 + HG2 LYS 24 OK 14 64 - 22 - ~2510=4, ~2518=3...(5) HD3 PRO 12 - HG3 LYS 93 poor 8 72 - 11 - 9040/4.0=3, 7084/5.1=3 HD3 PRO 12 - HG2 LYS 24 lone 2 45 - 5 - Peak 9042 from cnoeabs.peaks (3.67, 1.53, 24.58 ppm; 6.18 A): 4 out of 4 assignments used, quality = 0.95: HA THR 92 + HG2 LYS 93 OK 68 77 - 88 - ~10092=22, 3.6/3045=20...(17) HA ILE 83 + HG3 LYS 76 OK 50 85 - 59 - 4.2/10002=7, 3.0/10015=7...(17) HA ILE 83 + HG2 LYS 93 OK 43 100 - 43 - 9041/1.8=8, 9040/4.0=5...(15) HA THR 92 + HG3 LYS 76 OK 40 60 - 67 - 3.6/3045=10, 4.8/3014=8...(21) Peak 9046 from cnoeabs.peaks (4.23, 3.96, 46.49 ppm; 5.32 A): 4 out of 6 assignments used, quality = 0.88: HA LYS 93 + HA3 GLY 94 OK 66 72 - 91 - ~7098=24, 3.0/9054=24...(18) HB THR 92 + HA3 GLY 94 OK 49 72 - 68 - ~10087=25, ~10095=18...(10) HA ARG 141 + HA3 GLY 94 OK 23 94 - 25 - 10375=7, ~9051=5...(6) HA LYS 85 + HA3 GLY 94 OK 10 94 - 11 - 7099/3.0=3, 3023/9054=1 HB THR 102 - HA3 GLY 94 lone 9 100 - 9 - ~7099=3, 7099/3.0=2 HA PHE 45 - HA3 GLY 94 lone 5 72 - 7 - ~6361=2, 7099/3.0=2 Peak 9051 from cnoeabs.peaks (1.83, 3.64, 46.49 ppm; 5.71 A): 4 out of 5 assignments used, quality = 0.94: HB2 LYS 93 + HA2 GLY 94 OK 90 94 - 95 - 7100/3.0=34, 9054/1.8=31...(23) HB2 ARG 141 + HA2 GLY 94 OK 27 77 - 35 - ~10502=7, ~10375=6...(9) HB3 LEU 126 + HA2 GLY 94 OK 13 98 - 13 - 7100/3.0=5, 9054/1.8=4 HB3 MET 68 + HA2 GLY 94 OK 12 77 - 16 - 4.2/10110=3, 9054/1.8=3...(6) HD3 LYS 36 - HA2 GLY 94 lone 3 68 - 4 - ~7103=2 Peak 9053 from cnoeabs.peaks (0.76, 3.64, 46.49 ppm; 3.53 A): 4 out of 5 assignments used, quality = 0.90: QD2 LEU 72 + HA2 GLY 94 OK 57 100 - 58 - 8546/3.0=15...(9) QD1 LEU 72 + HA2 GLY 94 OK 57 94 - 60 - 10230=14, 8545/3.0=14...(10) QD1 ILE 136 + HA2 GLY 94 OK 27 92 - 30 - ~10458=6, 9056/1.8=5...(10) QD2 LEU 95 + HA2 GLY 94 OK 26 72 - 36 - 7119/3.5=12, ~9066=8...(10) QG2 VAL 73 - HA2 GLY 94 lone 2 89 - 3 - 9056/1.8=1 Peak 9054 from cnoeabs.peaks (1.84, 3.96, 46.49 ppm; 5.43 A): 3 out of 4 assignments used, quality = 0.94: HB2 LYS 93 + HA3 GLY 94 OK 92 99 - 93 - 7100/3.0=35, 9051/1.8=23...(21) HB2 ARG 141 + HA3 GLY 94 OK 15 62 - 25 - 9051/1.8=7, 3.0/10375=7...(6) HB3 LEU 126 + HA3 GLY 94 OK 12 100 - 12 - 7100/3.0=5, 9051/1.8=3 HB3 MET 68 - HA3 GLY 94 poor 10 62 - 15 - 4.2/8421=6, 9051/1.8=3...(4) Peak 9056 from cnoeabs.peaks (0.76, 3.96, 46.49 ppm; 3.39 A): 3 out of 5 assignments used, quality = 0.85: QD1 LEU 72 + HA3 GLY 94 OK 55 100 - 55 - 10230/1.8=16...(10) QD2 LEU 72 + HA3 GLY 94 OK 55 96 - 57 - 8546/3.0=13, 11723=12...(10) QD1 ILE 136 + HA3 GLY 94 OK 28 100 - 28 - 9053/1.8=7, ~10458=6...(9) QD1 LEU 108 - HA3 GLY 94 lone 9 89 - 10 - 9053/1.8=3, ~9048=1, ~9053=1 QG2 VAL 73 - HA3 GLY 94 lone 5 100 - 5 - 11036/8825=1 Peak 9061 from cnoeabs.peaks (3.67, 4.27, 54.31 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.79: HA ILE 83 + HA LEU 95 OK 79 99 - 79 - 9075/3.9=19, 8833/3.0=16...(20) Peak 9062 from cnoeabs.peaks (2.73, 4.27, 54.31 ppm; 5.03 A): 1 out of 8 assignments used, quality = 0.78: HB2 ASN 96 + HA LEU 95 OK 78 99 - 79 - 3174/3.6=43...(8) HB3 ASP 137 - HA LEU 95 poor 8 77 - 10 - 4.5/7780=2, 7131/3.6=2...(5) HB3 TYR 70 - HA LEU 95 lone 8 98 - 8 - 7131/3.6=3, 2.6/4696=3 HB3 GLU 120 - HA LEU 95 lone 5 92 - 6 - 4.6/9451=4 HB2 PHE 38 - HA LEU 95 lone 4 98 - 4 - HG3 MET 113 - HA LEU 95 lone 4 62 - 7 - 7131/3.6=2, 10255/3.9=2 HB3 MET 46 - HA LEU 95 lone 4 72 - 6 - 4.2/10942=4 HB3 PHE 43 - HA LEU 95 lone 4 77 - 5 - 7131/3.6=2, 4.5/4818=1 Peak 9063 from cnoeabs.peaks (1.17, 4.27, 54.31 ppm; 5.33 A): 4 out of 4 assignments used, quality = 0.69: HB2 LEU 72 + HA LEU 95 OK 36 99 - 36 - ~9913=8, 2121/3.9=5...(11) QD1 LEU 69 + HA LEU 95 OK 32 99 - 32 - 9893/3.0=8, 9089/3.6=6...(9) HG2 LYS 76 + HA LEU 95 OK 17 96 - 18 - 9089/3.6=6, 9058/3.0=3 QD1 LEU 26 + HA LEU 95 OK 15 89 - 16 - 2.1/3122=2, ~10140=2...(8) Peak 9064 from cnoeabs.peaks (3.65, 1.76, 26.21 ppm; 5.08 A): 3 out of 3 assignments used, quality = 0.97: HD3 PRO 12 + HG LEU 95 OK 76 92 - 83 - 8732/2.1=22, 1.8/53=13...(21) HA THR 92 + HG LEU 95 OK 70 100 - 70 - 9016/3.0=16, 9061/4.3=14...(14) HA ILE 83 + HG LEU 95 OK 63 77 - 81 - 9061/4.3=15, 9067/2.1=14...(25) Peak 9065 from cnoeabs.peaks (3.65, 1.67, 42.25 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: HD3 PRO 12 + HB2 LEU 95 OK 92 100 - 92 - 8732/3.1=22...(26) HA THR 92 + HB2 LEU 95 OK 88 99 - 89 - 9003/3.9=25, 9086/4.6=19...(22) HA2 GLY 94 + HB2 LEU 95 OK 59 81 - 72 - 7113/3.9=26, ~9066=19...(12) Peak 9066 from cnoeabs.peaks (3.97, 0.82, 26.88 ppm; 4.11 A): 0 out of 12 assignments used, low quality = 0.41: HA3 GLY 94 - QD1 LEU 95 OK 33 62 - 53 - 3.5/7120=23, 1.8/9067=7...(13) HA GLU 75 - QD1 LEU 95 OK 12 96 - 12 - ~11680=5, 9968/2.1=3, ~6793=2 HA3 GLY 94 - HG LEU 42 poor 10 59 - 16 - 3.5/7120=11, 9087/7129=2 HA3 GLY 143 - QD1 LEU 95 lone 5 100 - 5 - 9754/4.0=2 HA GLU 75 - HG LEU 42 lone 3 94 - 3 - HA ALA 60 - QD1 LEU 95 lone 3 62 - 5 - 7114/4.8=2 HB3 SER 103 - QD1 LEU 95 lone 2 89 - 3 - HA PHE 106 - QD1 LEU 95 lone 2 72 - 3 - HA3 GLY 143 - HG LEU 42 lone 2 99 - 2 - HA ALA 60 - HG LEU 42 lone 2 59 - 3 - HA PHE 106 - HG LEU 42 lone 1 69 - 2 - HB3 SER 103 - HG LEU 42 lone 1 86 - 2 - Peak 9067 from cnoeabs.peaks (3.67, 0.82, 26.88 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.90: HA ILE 83 + QD1 LEU 95 OK 66 100 - 66 - 9061/4.0=16, 9075/2.1=15...(21) HA ILE 83 + HG LEU 42 OK 45 98 - 46 - ~10016=6, 2500/3.0=5...(19) HA THR 92 + QD1 LEU 95 OK 33 77 - 43 - 3.2/9074=9, 9061/4.0=9...(10) HA THR 92 + HG LEU 42 OK 23 74 - 31 - 3.2/9074=6, ~9029=4...(13) Peak 9071 from cnoeabs.peaks (2.42, 0.82, 26.88 ppm; 5.35 A): 2 out of 16 assignments used, quality = 0.94: QE MET 46 + HG LEU 42 OK 86 99 - 87 - 10701/2.1=49, ~10708=23...(13) HG2 MET 68 + QD1 LEU 95 OK 56 68 - 83 - ~10095=29, 10942/4.0=15...(25) QE MET 46 - QD1 LEU 95 OK 23 100 - 23 - 10701/950=8, 10942/4.0=3...(4) HB3 PRO 118 - QD1 LEU 95 OK 14 100 - 14 - 11414/4.0=3, ~3144=1...(7) HB3 PRO 118 - HG LEU 42 OK 14 98 - 15 - 8147/2.1=6, ~11705=2...(4) HG2 MET 68 - HG LEU 42 poor 9 64 - 13 - 1982/5.1=4, 10942/3125=3...(4) HG3 GLN 133 - QD1 LEU 95 lone 6 99 - 6 - 11414/4.0=1 HG2 GLN 133 - QD1 LEU 95 lone 6 98 - 6 - 11414/4.0=1 HG2 GLN 47 - QD1 LEU 95 lone 4 89 - 5 - HG3 GLN 47 - QD1 LEU 95 lone 4 89 - 5 - HG3 GLN 133 - HG LEU 42 lone 4 97 - 4 - HG3 GLN 25 - HG LEU 42 lone 4 59 - 7 - 8147/2.1=2, ~8163=2 HG2 GLN 133 - HG LEU 42 lone 4 95 - 4 - HG3 GLN 47 - HG LEU 42 lone 3 86 - 4 - 9602/10114=1 HG2 GLN 47 - HG LEU 42 lone 3 86 - 4 - 9602/10114=1 HG3 GLN 25 - QD1 LEU 95 lone 1 62 - 2 - Peak 9072 from cnoeabs.peaks (1.93, 0.82, 26.88 ppm; 4.27 A): 3 out of 24 assignments used, quality = 0.96: HG2 PRO 12 + QD1 LEU 95 OK 76 99 - 77 - ~8732=12, 93/2.1=11...(24) HG3 PRO 12 + QD1 LEU 95 OK 72 94 - 77 - ~8732=12, 101/2.1=10...(23) HB2 LYS 86 + QD1 LEU 95 OK 41 68 - 61 - 2.9/9073=6, 3.5/3162=6...(22) HB3 LEU 132 - QD1 LEU 95 OK 24 96 - 25 - ~8741=3, 3.0/9073=3...(10) HB2 ARG 140 - QD1 LEU 95 OK 16 100 - 16 - 3.0/3160=1, 4714/4.0=1, ~3144=1 HB2 ARG 89 - QD1 LEU 95 OK 13 100 - 13 - 2862/3.1=1 HB2 PRO 118 - HG LEU 42 OK 12 86 - 14 - ~8147=5, ~8147=4...(4) HB2 MET 59 - HG LEU 42 lone 8 78 - 10 - 8299/3.0=2, ~8301=1, ~8147=1 HB3 GLU 122 - QD1 LEU 95 lone 8 81 - 9 - 4.0/10118=3, 3.0/9066=2, ~8468=1 HB2 PRO 118 - QD1 LEU 95 lone 8 89 - 8 - 1.8/9071=1 HB2 ARG 89 - HG LEU 42 lone 5 98 - 6 - ~8948=2 HG3 PRO 12 - HG LEU 42 lone 5 91 - 5 - 101/3149=2 HG2 PRO 12 - HG LEU 42 lone 4 97 - 5 - 93/3149=2 HB3 GLU 122 - HG LEU 42 lone 4 78 - 6 - 4.0/10118=2, ~11036=1 HB2 ARG 140 - HG LEU 42 lone 4 98 - 4 - HB3 LEU 132 - HG LEU 42 lone 4 94 - 5 - HB2 MET 59 - QD1 LEU 95 lone 4 81 - 5 - HB2 LYS 86 - HG LEU 42 lone 3 64 - 5 - 2687/3141=1 HB3 PRO 52 - QD1 LEU 95 lone 2 94 - 2 - HG2 PRO 52 - QD1 LEU 95 lone 2 92 - 2 - HB2 GLN 62 - QD1 LEU 95 lone 2 99 - 2 - HB3 PRO 52 - HG LEU 42 lone 1 91 - 1 - HB2 GLN 62 - HG LEU 42 lone 1 97 - 1 - HG2 PRO 52 - HG LEU 42 lone 1 89 - 1 - Peak 9073 from cnoeabs.peaks (1.37, 0.82, 26.88 ppm; 3.96 A): 7 out of 12 assignments used, quality = 0.92: HB3 LEU 39 + HG LEU 42 OK 44 98 - 45 - ~8122=16, ~11436=9...(10) HB2 LEU 69 + HG LEU 42 OK 41 82 - 50 - 3.2/9074=8, 3.2/10097=7...(12) HB2 LEU 69 + QD1 LEU 95 OK 37 85 - 43 - 3.2/10097=6, 1.8/8470=6...(13) HB VAL 82 + HG LEU 42 OK 34 98 - 34 - ~8813=25, ~8812=10 HG LEU 132 + QD1 LEU 95 OK 23 99 - 23 - ~8741=4, ~10423=3...(9) HB VAL 82 + QD1 LEU 95 OK 18 100 - 18 - ~9941=6, ~9982=5...(5) HB3 LEU 39 + QD1 LEU 95 OK 11 100 - 11 - HB2 ARG 109 - QD1 LEU 95 poor 10 94 - 10 - ~9271=3, 11005/2.1=1 HB2 ARG 109 - HG LEU 42 lone 5 91 - 5 - 3.6/9069=1 HG2 ARG 49 - QD1 LEU 95 lone 5 72 - 6 - 3.9/3160=1 HG LEU 132 - HG LEU 42 lone 5 97 - 5 - HG2 ARG 49 - HG LEU 42 lone 2 69 - 3 - Peak 9074 from cnoeabs.peaks (1.16, 0.82, 26.88 ppm; 3.00 A): 7 out of 8 assignments used, quality = 0.84: QD1 LEU 69 + HG LEU 42 OK 35 91 - 38 - 9895/2.1=7, 2.1/10097=6...(12) QG2 THR 92 + QD1 LEU 95 OK 29 98 - 30 - 3.2/9067=4, 9058/4.8=4...(13) QD1 LEU 69 + QD1 LEU 95 OK 27 94 - 28 - 2.1/10097=5, 9893/3.1=3...(12) QG2 THR 92 + HG LEU 42 OK 21 95 - 22 - 9027/3.0=4...(6) HG2 LYS 76 + HG LEU 42 OK 20 95 - 21 - 8658/2.1=7, ~8666=3...(5) HB2 LEU 72 + QD1 LEU 95 OK 15 94 - 16 - 2121/2.1=3, 9063/4.0=2...(5) HB2 LEU 72 + HG LEU 42 OK 11 91 - 12 - ~8538=2, ~8542=1...(5) HG2 LYS 76 - QD1 LEU 95 lone 7 98 - 8 - Peak 9075 from cnoeabs.peaks (3.69, 0.78, 22.75 ppm; 3.51 A): 0 out of 2 assignments used, low quality = 0.26: HA ILE 91 - QD2 LEU 95 OK 26 68 - 39 - 2.9/3151=6, 3.6/9012=6...(15) HA ILE 91 - QD1 LEU 79 poor 9 52 - 18 - ~8737=3, 5.0/8957=3...(7) Peak 9076 from cnoeabs.peaks (2.43, 0.78, 22.75 ppm; 3.82 A): 3 out of 18 assignments used, quality = 0.85: HG2 MET 68 + QD2 LEU 95 OK 72 100 - 72 - 1.8/10095=28, 8428=19...(21) HG2 MET 68 + QD1 LEU 79 OK 35 85 - 42 - 1.8/10095=13, 8428=11...(9) HG3 GLU 131 + QD2 LEU 95 OK 16 92 - 17 - 1.8/9559=4, ~10404=3...(7) HB3 PRO 33 - QD2 LEU 95 lone 9 100 - 9 - 1980/10095=2, 8428=2 HG3 GLU 131 - QD1 LEU 79 poor 8 74 - 11 - 1.8/9559=3, 4.2/9554=1...(4) HB3 PRO 33 - QD1 LEU 79 lone 5 86 - 6 - 8428=1 HB3 PRO 118 - QD2 LEU 95 lone 5 62 - 8 - HG2 MET 11 - QD2 LEU 95 lone 5 94 - 5 - HG2 GLN 133 - QD2 LEU 95 lone 4 77 - 6 - 4.5/9621=1 HG3 GLN 133 - QD2 LEU 95 lone 4 72 - 5 - 4.5/9621=1 HG2 GLN 133 - QD1 LEU 79 lone 3 60 - 6 - 4.5/9621=3 HG2 MET 11 - QD1 LEU 79 lone 3 77 - 4 - HG3 GLN 133 - QD1 LEU 79 lone 3 56 - 6 - 4.5/9621=3 HG2 GLN 47 - QD2 LEU 95 lone 3 92 - 3 - HG3 GLN 47 - QD2 LEU 95 lone 3 92 - 3 - HG2 GLN 47 - QD1 LEU 79 lone 1 74 - 2 - HG3 GLN 47 - QD1 LEU 79 lone 1 74 - 2 - HB3 PRO 118 - QD1 LEU 79 lone 1 47 - 3 - Peak 9077 from cnoeabs.peaks (1.69, 3.11, 37.09 ppm; 5.18 A): 2 out of 7 assignments used, quality = 0.91: HB3 LEU 95 + HB3 ASN 96 OK 77 92 - 83 - 4.6/3181=38...(11) HG LEU 97 + HB3 ASN 96 OK 64 81 - 78 - ~9081=34, 2.1/9078=30...(7) HB2 LYS 85 - HB3 ASN 96 OK 21 98 - 22 - ~8864=5, ~8862=5...(5) HG3 ARG 141 - HB3 ASN 96 OK 17 77 - 22 - 3.8/10122=9, 7158/4.7=6...(4) HG LEU 26 - HB3 ASN 96 OK 15 96 - 16 - 7158/4.7=8, 3220/9078=2 HD2 LYS 86 - HB3 ASN 96 OK 10 96 - 11 - 7126/3.9=5, 3122/10101=2 HB ILE 58 - HB3 ASN 96 lone 7 96 - 7 - 7126/3.9=2, 1559/8150=1 Peak 9078 from cnoeabs.peaks (0.84, 3.11, 37.09 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.90: QD2 LEU 97 + HB3 ASN 96 OK 86 100 - 86 - 9081/1.8=38...(10) QG2 ILE 83 + HB3 ASN 96 OK 26 81 - 32 - 7159/4.7=7, 10100/1.8=5...(9) QD1 LEU 64 - HB3 ASN 96 poor 7 62 - 11 - 7159/4.7=5, 10100/1.8=2 Peak 9079 from cnoeabs.peaks (1.67, 2.74, 37.09 ppm; 5.00 A): 6 out of 12 assignments used, quality = 0.95: HB2 LEU 95 + HB2 ASN 96 OK 77 99 - 78 - 4.6/3174=36, 3.0/9062=22...(11) HG LEU 97 + HB2 ASN 96 OK 56 68 - 82 - 2.1/9081=42, 5.3/3180=22...(8) HB2 ARG 145 + HB2 ASN 96 OK 21 100 - 21 - 3.4/3177=3, 3.4/3177=3...(6) HD2 LYS 93 + HB2 ASN 96 OK 14 92 - 15 - 7125/3.9=5, 3122/9062=2...(5) HG3 ARG 141 + HB2 ASN 96 OK 14 72 - 19 - 3.8/10123=8, 7158/4.7=5...(4) HB VAL 71 + HB2 ASN 96 OK 12 99 - 12 - 2.1/8504=4, 3.8/6725=2, ~8505=2 HB2 MET 68 - HB2 ASN 96 lone 9 92 - 10 - 7125/3.9=2, 8430/10121=2 HG2 ARG 124 - HB2 ASN 96 lone 8 94 - 8 - 7125/3.9=2, 9082/3.0=1 HD3 LYS 48 - HB2 ASN 96 lone 7 100 - 7 - 7125/3.9=2 HD2 LYS 48 - HB2 ASN 96 lone 4 99 - 4 - 7125/3.9=2 HG2 ARG 89 - HB2 ASN 96 lone 4 99 - 4 - HG2 ARG 140 - HB2 ASN 96 lone 2 62 - 3 - Peak 9081 from cnoeabs.peaks (0.84, 2.74, 37.09 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.65: QD2 LEU 97 + HB2 ASN 96 OK 65 89 - 73 - 11427/3.0=24...(9) Peak 9083 from cnoeabs.peaks (0.79, 4.38, 53.73 ppm; 4.40 A): 0 out of 4 assignments used, low quality = 0.22: QD1 LEU 79 - HA ASN 96 OK 22 77 - 29 - 7128/3.0=6, 10120/3.0=5...(11) QG2 THR 74 - HA ASN 96 lone 8 85 - 9 - 7128/3.0=2, 10120/3.0=2...(4) QG1 VAL 80 - HA ASN 96 lone 8 100 - 8 - 8757/3.0=3, 10120/3.0=1 QD2 LEU 126 - HA ASN 96 lone 6 100 - 6 - 8757/3.0=2, 7128/3.0=1 Peak 9085 from cnoeabs.peaks (4.21, 4.38, 53.73 ppm; 3.80 A): 2 out of 7 assignments used, quality = 0.48: HA LYS 93 + HA ASN 96 OK 37 96 - 38 - 10090/3.0=27, ~10091=10...(5) HA THR 102 + HA ASN 96 OK 18 100 - 18 - 3.0/9085=6, 11692/3.0=5...(6) HA ALA 134 - HA ASN 96 lone 8 100 - 8 - 9651/11427=4...(3) HA LYS 85 - HA ASN 96 lone 8 77 - 10 - 11692/3.0=3, 8862/3.0=2...(4) HA ILE 101 - HA ASN 96 lone 6 100 - 6 - 9122/11427=2, 11692/3.0=2 HA PHE 43 - HA ASN 96 lone 4 68 - 6 - 3.0/3169=2 HA PHE 45 - HA ASN 96 lone 2 96 - 2 - Peak 9103 from cnoeabs.peaks (7.55, 0.88, 26.03 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.69: H LEU 95 + QD1 LEU 97 OK 45 85 - 52 - 4.6/10133=16...(7) H LYS 86 + QD1 LEU 97 OK 23 94 - 24 - 8868/3.2=8, 11672/3.2=4...(5) H TRP 88 + QD1 LEU 97 OK 18 81 - 22 - 10137/2.1=7, 10140/2.1=4...(6) HD21 ASN 54 + QD1 LEU 97 OK 12 94 - 12 - ~9112=9, 10140/2.1=2 Peak 9104 from cnoeabs.peaks (7.66, 3.42, 50.25 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.99: H LEU 97 + HD2 PRO 98 OK 99 100 - 99 - 4.8=84, 2.9/3231=33...(26) H GLY 50 - HD2 PRO 98 OK 39 100 - 39 - 3188/3.8=8, 3223/4.6=8...(7) HD21 ASN 130 - HD2 PRO 98 lone 7 72 - 10 - 3188/3.8=3, 3223/4.6=2...(4) Peak 9105 from cnoeabs.peaks (7.67, 3.90, 50.25 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.78: H LEU 97 + HD3 PRO 98 OK 68 68 - 100 - 4.8=100 H GLY 50 + HD3 PRO 98 OK 31 81 - 39 - 4.7/8196=13, 9104/1.8=8...(9) Peak 9106 from cnoeabs.peaks (4.24, 1.26, 41.43 ppm; 4.36 A): 3 out of 4 assignments used, quality = 0.99: HB THR 92 + HB3 LEU 97 OK 96 100 - 96 - 2.1/10105=26, ~10104=21...(26) HA ARG 141 + HB3 LEU 97 OK 70 99 - 71 - 9109/1.8=11, 4773/3.0=10...(25) HB THR 102 + HB3 LEU 97 OK 58 89 - 66 - 3.0/3371=10, 3376=9...(25) HA GLU 142 - HB3 LEU 97 OK 26 94 - 28 - 9109/1.8=4, ~7854=4...(12) Peak 9107 from cnoeabs.peaks (3.89, 1.26, 41.43 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.98: HD3 PRO 98 + HB3 LEU 97 OK 98 98 - 100 - 4.8=72, 1.8/9108=33...(39) HA MET 46 - HB3 LEU 97 OK 37 92 - 40 - 9110/1.8=10, 3233/3.0=7...(10) Peak 9108 from cnoeabs.peaks (3.42, 1.26, 41.43 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 98 + HB3 LEU 97 OK 100 100 - 100 - 4.8=61, 9125/3.1=28...(39) HB3 TYR 112 - HB3 LEU 97 OK 24 68 - 36 - 9111/1.8=7, 2.9/10106=7...(9) Peak 9109 from cnoeabs.peaks (4.24, 1.60, 41.43 ppm; 4.45 A): 3 out of 4 assignments used, quality = 1.00: HB THR 92 + HB2 LEU 97 OK 95 99 - 96 - 2.1/10104=30, ~10105=19...(25) HA ARG 141 + HB2 LEU 97 OK 76 100 - 76 - 9106/1.8=11, 4773/3.0=10...(26) HB THR 102 + HB2 LEU 97 OK 61 94 - 64 - 3376/1.8=10, 9122/3.1=7...(23) HA GLU 142 - HB2 LEU 97 OK 28 89 - 31 - 2.9/7853=5, 9106/1.8=4...(13) Peak 9110 from cnoeabs.peaks (3.89, 1.60, 41.43 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.98: HD3 PRO 98 + HB2 LEU 97 OK 98 98 - 100 - 4.8=98, 9115/3.2=35...(42) HA MET 46 - HB2 LEU 97 OK 43 92 - 47 - 9107/1.8=12, 3233/3.0=8...(10) Peak 9111 from cnoeabs.peaks (3.42, 1.60, 41.43 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 98 + HB2 LEU 97 OK 100 100 - 100 - 4.8=81, 9108/1.8=35...(44) HB3 TYR 112 - HB2 LEU 97 OK 27 68 - 40 - 9108/1.8=9, 3231/3.0=7...(8) Peak 9112 from cnoeabs.peaks (6.85, 0.85, 22.50 ppm; 4.36 A): 0 out of 2 assignments used, low quality = 0.12: HE21 GLN 62 - QD2 LEU 97 OK 12 85 - 14 - 8339/2.1=12, 4.6/10108=1 HD22 ASN 54 - QD2 LEU 97 lone 7 89 - 8 - ~9103=3, ~10140=2 Peak 9113 from cnoeabs.peaks (4.25, 0.88, 26.03 ppm; 3.69 A): 3 out of 7 assignments used, quality = 0.93: HB THR 92 + QD1 LEU 97 OK 84 94 - 89 - 2.1/9130=29, 3.0/9116=17...(24) HA ARG 141 + QD1 LEU 97 OK 41 72 - 57 - 3.0/10132=11, 3.8/3227=7...(23) HB THR 99 + QD1 LEU 97 OK 31 62 - 49 - 2.1/9155=11, 10948/2.1=6...(17) HA2 GLY 50 - QD1 LEU 97 OK 28 77 - 36 - 2.9/3223=9, ~3216=5...(12) HA GLU 142 - QD1 LEU 97 OK 24 100 - 24 - 3.0/9129=3, ~7854=3...(10) HA ALA 135 - QD1 LEU 97 OK 16 81 - 20 - 2.1/10444=5, 10948/2.1=3...(8) HA SER 138 - QD1 LEU 97 poor 9 68 - 13 - 10948/2.1=2, 3.0/9723=1...(4) Peak 9115 from cnoeabs.peaks (3.88, 0.88, 26.03 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.68: HD3 PRO 98 + QD1 LEU 97 OK 68 68 - 100 - 4.6=100 HA LYS 36 - QD1 LEU 97 lone 7 68 - 10 - 10084/9130=2...(3) Peak 9116 from cnoeabs.peaks (3.65, 0.88, 26.03 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.90: HA THR 92 + QD1 LEU 97 OK 80 100 - 80 - 3.2/9130=20, 9124/2.1=17...(25) HA ILE 83 + QD1 LEU 97 OK 28 68 - 41 - 9124/2.1=9, 3.2/3228=7...(16) HA2 GLY 94 + QD1 LEU 97 OK 18 62 - 29 - 3.5/9103=8, 9124/2.1=7...(9) HD3 PRO 12 + QD1 LEU 97 OK 13 96 - 13 - 4.8/9129=2, 9124/2.1=2...(6) Peak 9117 from cnoeabs.peaks (3.43, 0.88, 26.03 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.96: HD2 PRO 98 + QD1 LEU 97 OK 96 96 - 100 - 4.6=95, 1.8/9115=40...(31) Peak 9122 from cnoeabs.peaks (4.23, 0.85, 22.50 ppm; 3.41 A): 4 out of 6 assignments used, quality = 0.90: HB THR 92 + QD2 LEU 97 OK 57 72 - 79 - 3.0/9124=14, ~9130=14...(24) HA ARG 141 + QD2 LEU 97 OK 50 94 - 54 - 4773/2.1=8, 3.0/10131=6...(22) HB THR 102 + QD2 LEU 97 OK 42 100 - 42 - 3376/3.1=7, 9190/2.1=5...(20) HA LYS 93 + QD2 LEU 97 OK 18 72 - 25 - 4.8/9124=9...(8) HA LYS 85 - QD2 LEU 97 lone 7 94 - 7 - 4.0/11006=2, 3.6/8869=2 HA PHE 45 - QD2 LEU 97 lone 3 72 - 4 - 4.8/9123=3 Peak 9123 from cnoeabs.peaks (3.90, 0.85, 22.50 ppm; 3.25 A): 3 out of 3 assignments used, quality = 0.92: HD3 PRO 98 + QD2 LEU 97 OK 88 100 - 88 - 1.8/9125=28, 9115/2.1=19...(24) HA MET 46 + QD2 LEU 97 OK 21 100 - 21 - 9107/3.1=4, 9110/3.1=4...(6) HA TYR 112 + QD2 LEU 97 OK 13 68 - 19 - 2.9/9125=4, 10106/3.1=4...(9) Peak 9124 from cnoeabs.peaks (3.66, 0.85, 22.50 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.98: HA THR 92 + QD2 LEU 97 OK 92 98 - 94 - 9116/2.1=25, 9017=17...(31) HA ILE 83 + QD2 LEU 97 OK 70 89 - 79 - 4.8/8855=22...(25) HD3 PRO 12 - QD2 LEU 97 OK 14 81 - 18 - 8018/9127=4, 9116/2.1=4...(7) Peak 9125 from cnoeabs.peaks (3.42, 0.85, 22.50 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.87: HD2 PRO 98 + QD2 LEU 97 OK 85 98 - 87 - 1.8/9123=26, 3.8/3193=16...(24) HB3 TYR 112 + QD2 LEU 97 OK 17 89 - 19 - 9108/3.1=4, 9111/3.1=3...(7) Peak 9126 from cnoeabs.peaks (3.10, 0.85, 22.50 ppm; 4.97 A): 3 out of 6 assignments used, quality = 0.83: HB3 ASN 96 + QD2 LEU 97 OK 77 89 - 86 - 1.8/9081=36...(10) HA ALA 105 + QD2 LEU 97 OK 16 94 - 17 - 9223/3.1=4, ~9220=3...(4) HD2 ARG 109 + QD2 LEU 97 OK 12 81 - 15 - ~10237=4, 10737/9112=3...(4) HD2 ARG 145 - QD2 LEU 97 poor 8 68 - 12 - 7152/5.0=2, ~10110=1 HD3 ARG 145 - QD2 LEU 97 poor 6 62 - 10 - 7152/5.0=2 HB3 HIS 10 - QD2 LEU 97 lone 2 100 - 2 - Peak 9127 from cnoeabs.peaks (2.37, 0.85, 22.50 ppm; 3.47 A): 2 out of 4 assignments used, quality = 0.47: HG2 MET 59 + QD2 LEU 97 OK 36 62 - 57 - 9128/2.1=13...(18) HG3 MET 11 + QD2 LEU 97 OK 17 94 - 18 - 3.3/10130=5, 9128/2.1=3...(5) HG3 GLU 37 - QD2 LEU 97 lone 6 62 - 10 - 9128/2.1=2, 8328/11586=2...(5) HB2 GLN 47 - QD2 LEU 97 lone 3 85 - 4 - Peak 9128 from cnoeabs.peaks (2.38, 0.88, 26.03 ppm; 4.15 A): 3 out of 7 assignments used, quality = 0.94: HG3 MET 59 + QD1 LEU 97 OK 71 100 - 72 - ~9127=17, ~10107=10...(22) HG2 MET 59 + QD1 LEU 97 OK 69 100 - 69 - ~10107=10, 9127/2.1=8...(22) HG3 MET 11 + QD1 LEU 97 OK 33 89 - 37 - 9127/2.1=14, 3.3/9129=8...(7) HB ILE 91 - QD1 LEU 97 OK 19 100 - 19 - 4.7/10136=11...(3) HG2 GLN 25 - QD1 LEU 97 OK 16 100 - 16 - 9127/2.1=8, ~11424=2 HG3 GLU 37 - QD1 LEU 97 OK 16 100 - 16 - 9024/9130=4, 9127/2.1=4...(5) HG2 MET 46 - QD1 LEU 97 OK 12 99 - 12 - 3.0/10710=5, 1067/4.6=4 Peak 9129 from cnoeabs.peaks (1.97, 0.88, 26.03 ppm; 3.64 A): 4 out of 7 assignments used, quality = 0.91: HB3 PRO 98 + QD1 LEU 97 OK 57 62 - 92 - 3.0/9117=22, 3.0/9115=22...(36) HB2 LYS 61 + QD1 LEU 97 OK 55 89 - 62 - 3.0/3226=6, 3.0/3226=6...(38) HB ILE 56 + QD1 LEU 97 OK 35 81 - 43 - 9129=13, 3.2/1481=4...(17) HB3 MET 11 + QD1 LEU 97 OK 26 99 - 26 - ~9127=8, 3.0/9128=6...(5) HB2 LYS 34 - QD1 LEU 97 lone 9 100 - 9 - 3236/4.6=2, 3244/4.6=2 HB3 ARG 124 - QD1 LEU 97 lone 8 92 - 8 - 9129=3 HB3 GLU 75 - QD1 LEU 97 lone 4 85 - 5 - 8636/9130=2 Peak 9130 from cnoeabs.peaks (1.15, 0.88, 26.03 ppm; 2.98 A): 2 out of 4 assignments used, quality = 0.81: QG2 THR 92 + QD1 LEU 97 OK 75 98 - 76 - 9027=11, 2.1/9113=11...(28) HG LEU 64 + QD1 LEU 97 OK 24 81 - 29 - 2.1/3228=5, 10105/3.2=4...(13) HG2 LYS 76 - QD1 LEU 97 poor 9 62 - 14 - 3.0/11585=3, 10105/3.2=2...(4) QG2 THR 18 - QD1 LEU 97 lone 1 85 - 2 - Peak 9131 from cnoeabs.peaks (1.63, 3.42, 50.25 ppm; 4.08 A): 3 out of 3 assignments used, quality = 0.89: HG3 LYS 34 + HD2 PRO 98 OK 84 98 - 86 - 1.8/9138=16...(45) HB3 LEU 26 + HD2 PRO 98 OK 19 100 - 19 - 10113/2.3=10, 1.8/3238=1 HD2 LYS 24 + HD2 PRO 98 OK 17 98 - 17 - 3.0/9145=5, ~9146=3...(6) Peak 9132 from cnoeabs.peaks (1.24, 3.42, 50.25 ppm; 3.74 A): 3 out of 3 assignments used, quality = 0.94: HG12 ILE 101 + HD2 PRO 98 OK 76 81 - 93 - 2.1/9175=34, ~9173=22...(23) HB3 LEU 97 + HD2 PRO 98 OK 61 62 - 98 - 4.8=48, 3.1/9125=25...(38) HB3 LEU 87 + HD2 PRO 98 OK 33 89 - 37 - 3.0/9145=9, ~9146=5...(11) Peak 9133 from cnoeabs.peaks (0.86, 3.42, 50.25 ppm; 3.12 A): 4 out of 5 assignments used, quality = 0.88: QD2 LEU 97 + HD2 PRO 98 OK 50 62 - 80 - 9125=16, 2.1/9117=15...(23) QD1 LEU 64 + HD2 PRO 98 OK 44 100 - 45 - 9142/2.3=13, 9137/1.8=7...(16) QG2 ILE 83 + HD2 PRO 98 OK 39 96 - 40 - 9142/2.3=12, 9137/1.8=7...(14) QG2 ILE 56 + HD2 PRO 98 OK 29 99 - 29 - 9137/1.8=4, 8304/3.0=3...(10) HB3 LEU 42 - HD2 PRO 98 lone 4 94 - 4 - 9142/2.3=1 Peak 9134 from cnoeabs.peaks (1.61, 3.90, 50.25 ppm; 4.56 A): 4 out of 9 assignments used, quality = 1.00: HB2 LEU 97 + HD3 PRO 98 OK 96 96 - 100 - 4.8=86, 3.1/9123=32...(41) HG3 ARG 49 + HD3 PRO 98 OK 77 100 - 77 - 1.8/8195=27, 3.0/8193=20...(20) HB3 LEU 64 + HD3 PRO 98 OK 62 98 - 64 - 8368/2.3=12, ~9142=12...(17) HB2 LEU 87 + HD3 PRO 98 OK 48 99 - 49 - 3.0/9146=11, ~9145=8...(9) HG2 ARG 141 - HD3 PRO 98 OK 21 98 - 22 - 3225/4.6=5, 3204/4.8=5...(5) HG3 LYS 48 - HD3 PRO 98 OK 15 85 - 18 - 4.9/6433=6, 3225/4.6=2...(7) HG LEU 108 - HD3 PRO 98 OK 14 99 - 14 - 9802=2, 3190/3.8=1...(4) HG3 ARG 144 - HD3 PRO 98 OK 10 98 - 10 - 1270/8195=1, 1288/8193=1 HG2 ARG 144 - HD3 PRO 98 lone 9 89 - 10 - 3225/4.6=1, 3204/4.8=1...(4) Peak 9135 from cnoeabs.peaks (1.49, 3.90, 50.25 ppm; 5.36 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 101 + HD3 PRO 98 OK 99 100 - 100 - ~9175=43, 9171=43...(26) HG2 LYS 34 + HD3 PRO 98 OK 94 96 - 97 - ~9131=29, 9138/1.8=21...(44) HB3 LEU 29 - HD3 PRO 98 OK 16 96 - 16 - 11421/4.8=7, 9141/3.0=3...(5) HD3 LYS 114 - HD3 PRO 98 OK 12 100 - 12 - 3365/9173=2, 10112/2.3=2...(5) QB ALA 134 - HD3 PRO 98 poor 7 68 - 10 - 3365/9173=4, 9624/9123=3 Peak 9136 from cnoeabs.peaks (1.25, 3.90, 50.25 ppm; 4.00 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 97 + HD3 PRO 98 OK 98 99 - 99 - 4.8=58, 9108/1.8=29...(39) HG3 LYS 61 + HD3 PRO 98 OK 58 96 - 61 - 9143/2.3=7, ~9132=6...(31) QG2 THR 99 + HD3 PRO 98 OK 50 96 - 52 - 9156/3.6=15, 9156/3.8=11...(12) HG2 LYS 61 + HD3 PRO 98 OK 46 77 - 60 - 9132/1.8=9, 9143/2.3=6...(30) HB2 LEU 132 - HD3 PRO 98 OK 16 92 - 18 - 9593/4.6=3, 3191/3.8=2...(7) QG2 THR 102 - HD3 PRO 98 poor 8 62 - 13 - 9191/4.6=3, 3191/3.8=2...(6) Peak 9137 from cnoeabs.peaks (0.85, 3.90, 50.25 ppm; 3.24 A): 3 out of 5 assignments used, quality = 0.93: QD2 LEU 97 + HD3 PRO 98 OK 79 89 - 89 - 9123=29, 9125/1.8=23...(23) QD1 LEU 64 + HD3 PRO 98 OK 45 99 - 45 - 9142/2.3=13, 9133/1.8=9...(15) QG2 ILE 83 + HD3 PRO 98 OK 44 100 - 44 - 9142/2.3=11, 9133/1.8=9...(12) QG2 ILE 56 - HD3 PRO 98 OK 23 85 - 27 - 9133/1.8=6, 8304/3.0=4...(9) HB3 LEU 42 - HD3 PRO 98 lone 2 72 - 3 - Peak 9138 from cnoeabs.peaks (1.51, 3.42, 50.25 ppm; 5.06 A): 7 out of 9 assignments used, quality = 0.91: HG2 LYS 34 + HD2 PRO 98 OK 57 62 - 91 - 1.8/9131=34, ~9134=10...(43) HB2 LYS 123 + HD2 PRO 98 OK 40 100 - 40 - 3.7/10138=10, 4.8/3235=6...(8) HG3 LYS 85 + HD2 PRO 98 OK 34 96 - 35 - 1.8/9145=12, ~9144=9...(8) HB2 GLU 122 + HD2 PRO 98 OK 22 98 - 22 - 4068/3.0=2, 1.8/3236=2...(9) HG3 PRO 57 + HD2 PRO 98 OK 15 99 - 15 - ~10113=4, 10626/9133=3...(5) QB ALA 135 + HD2 PRO 98 OK 13 89 - 15 - 10444/4.6=4, 9626/4.8=3...(4) HB2 LEU 29 + HD2 PRO 98 OK 11 85 - 13 - ~9135=2, ~9141=2...(7) HG3 LYS 76 - HD2 PRO 98 lone 4 72 - 6 - HG2 LYS 93 - HD2 PRO 98 lone 3 72 - 5 - 2288/9031=1 Peak 9141 from cnoeabs.peaks (1.49, 2.35, 32.00 ppm; 4.83 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 101 + HB2 PRO 98 OK 99 100 - 99 - 9171/3.0=30, ~9175=29...(28) HG2 LYS 34 + HB2 PRO 98 OK 91 96 - 95 - ~9131=19, 10112/2.3=18...(47) HB3 LEU 29 - HB2 PRO 98 OK 14 96 - 14 - 10623/8374=3, ~8058=2...(6) HD3 LYS 114 - HB2 PRO 98 lone 6 100 - 6 - 10142/2.3=2, 9135/3.0=1 QB ALA 134 - HB2 PRO 98 lone 4 68 - 5 - 9135/3.0=1 Peak 9142 from cnoeabs.peaks (0.87, 2.04, 27.30 ppm; 3.61 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 97 + HG2 PRO 98 OK 84 92 - 92 - 9117/2.3=21, 9115/2.3=21...(26) QG2 ILE 101 + HG2 PRO 98 OK 80 85 - 93 - 10535=17, 9137/2.3=14...(34) QD1 ILE 101 + HG2 PRO 98 OK 68 72 - 94 - 9175/2.3=21, 9173/2.3=18...(32) QG2 ILE 56 - HG2 PRO 98 OK 27 94 - 29 - 1459/2.3=5, 9133/2.3=4...(12) QD1 LEU 64 - HG2 PRO 98 OK 27 72 - 38 - 9137/2.3=9, 9133/2.3=6...(11) QG2 ILE 136 - HG2 PRO 98 lone 5 85 - 6 - HB3 LEU 42 - HG2 PRO 98 lone 4 99 - 4 - 9137/2.3=1 Peak 9143 from cnoeabs.peaks (1.25, 2.04, 27.30 ppm; 4.11 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 97 + HG2 PRO 98 OK 98 99 - 99 - 9108/2.3=28, 9107/2.3=23...(42) HG3 LYS 61 + HG2 PRO 98 OK 57 96 - 59 - 9136/2.3=7, ~9132=6...(27) QG2 THR 99 + HG2 PRO 98 OK 48 96 - 50 - 9156/3.8=15, 9151/2.3=13...(15) HG2 LYS 61 + HG2 PRO 98 OK 45 77 - 59 - 9132/2.3=9, 9136/2.3=6...(26) HB2 LEU 132 - HG2 PRO 98 OK 10 92 - 11 - 9136/2.3=2 QG2 THR 102 - HG2 PRO 98 lone 3 62 - 5 - 9136/2.3=1 Peak 9144 from cnoeabs.peaks (1.32, 2.04, 27.30 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.58: QB ALA 60 + HG2 PRO 98 OK 41 62 - 65 - 9145/2.3=26, 8328/2.3=12...(11) HG2 LYS 85 + HG2 PRO 98 OK 19 100 - 19 - 9145/2.3=8, 10394/2.3=4...(4) HG LEU 79 + HG2 PRO 98 OK 14 62 - 22 - ~8727=6, 9145/2.3=5...(5) Peak 9145 from cnoeabs.peaks (1.33, 3.42, 50.25 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.69: QB ALA 60 + HD2 PRO 98 OK 62 81 - 76 - 8313=29, 9144/2.3=17...(15) HG2 LYS 85 + HD2 PRO 98 OK 19 96 - 20 - 9144/2.3=8, 1.8/9138=4...(5) Peak 9146 from cnoeabs.peaks (1.31, 3.90, 50.25 ppm; 4.14 A): 5 out of 5 assignments used, quality = 0.84: HG12 ILE 83 + HD3 PRO 98 OK 49 94 - 52 - 9144/2.3=12, 3.2/9137=8...(11) HG LEU 87 + HD3 PRO 98 OK 35 81 - 43 - 9145/1.8=11, 9144/2.3=7...(13) HG LEU 79 + HD3 PRO 98 OK 27 99 - 27 - 9145/1.8=8, ~8727=7...(6) HG3 LYS 24 + HD3 PRO 98 OK 19 92 - 21 - 10177/9173=6, 9145/1.8=6...(6) HG2 LYS 85 + HD3 PRO 98 OK 19 89 - 21 - 9144/2.3=6, 10394/3.0=4...(6) Peak 9151 from cnoeabs.peaks (2.35, 1.26, 21.65 ppm; 6.11 A): 2 out of 4 assignments used, quality = 0.97: HB2 PRO 98 + QG2 THR 99 OK 92 100 - 92 - 3265/4.0=42, ~9158=31...(19) HE2 LYS 123 + QG2 THR 99 OK 59 98 - 61 - 3.8/10124=28...(8) HB2 GLN 47 - QG2 THR 99 OK 25 81 - 31 - 9167/4.0=9, 7163/4.0=6...(9) HB3 GLN 47 - QG2 THR 99 OK 19 81 - 24 - 7163/4.0=6, ~8174=3...(8) Peak 9152 from cnoeabs.peaks (1.88, 1.26, 21.65 ppm; 3.94 A): 3 out of 10 assignments used, quality = 0.55: HB3 LYS 93 + QG2 THR 99 OK 30 96 - 31 - 4.1/10154=12, 3.4/9154=5...(5) HB3 ARG 89 + QG2 THR 99 OK 24 62 - 39 - 3.5/10114=12...(4) HB3 ARG 140 + QG2 THR 99 OK 15 94 - 16 - 3.4/10157=4...(5) HB3 LYS 48 - QG2 THR 99 poor 9 85 - 11 - 3.6/9154=2, 3.6/9154=2...(4) HB3 ARG 141 - QG2 THR 99 lone 8 100 - 8 - 10132/9155=2, 2.8/9154=1 HB2 LYS 48 - QG2 THR 99 lone 6 57 - 10 - 3.6/9154=2, 3.6/9154=2...(4) HB3 GLN 111 - QG2 THR 99 lone 5 72 - 7 - 1.8/9153=3 HB2 LYS 24 - QG2 THR 99 lone 3 62 - 6 - 11350/4.0=2 HB2 ARG 144 - QG2 THR 99 lone 1 72 - 2 - HB2 LYS 36 - QG2 THR 99 lone 1 77 - 2 - Peak 9153 from cnoeabs.peaks (1.99, 1.26, 21.65 ppm; 3.65 A): 3 out of 10 assignments used, quality = 0.49: QE MET 59 + QG2 THR 99 OK 24 100 - 24 - 10405=10, 4.2/9152=2...(6) HG3 PRO 52 + QG2 THR 99 OK 20 81 - 24 - 3.8/3301=5, ~1349=2...(11) QE MET 113 + QG2 THR 99 OK 17 100 - 17 - 9335=4, 9330/4504=2...(4) HB VAL 63 - QG2 THR 99 lone 9 100 - 9 - 3.0/10118=4 HB2 GLN 111 - QG2 THR 99 lone 6 94 - 6 - 1.8/9152=2 HB3 GLU 75 - QG2 THR 99 lone 4 68 - 6 - 3.0/10159=2 QE MET 11 - QG2 THR 99 lone 3 77 - 4 - HG3 GLU 122 - QG2 THR 99 lone 3 68 - 4 - 3.9/10159=1 HB2 GLU 142 - QG2 THR 99 lone 3 96 - 3 - HB3 GLU 90 - QG2 THR 99 lone 1 62 - 2 - Peak 9154 from cnoeabs.peaks (1.67, 1.26, 21.65 ppm; 3.45 A): 6 out of 11 assignments used, quality = 0.74: HG LEU 97 + QG2 THR 99 OK 33 72 - 45 - 2.1/9155=12, 4.3/9156=8...(14) HG2 ARG 89 + QG2 THR 99 OK 31 98 - 32 - 3.0/10114=11...(4) HD2 LYS 93 + QG2 THR 99 OK 24 94 - 25 - 3.0/10116=6, 3.4/9152=6...(5) HD3 LYS 48 + QG2 THR 99 OK 11 100 - 11 - 3.0/10116=2, 3.0/10116=2...(4) HD2 LYS 48 + QG2 THR 99 OK 10 98 - 10 - 3.0/10116=2, 3.0/10116=2...(4) HB2 LEU 95 + QG2 THR 99 OK 10 98 - 10 - 3.0/3302=1, 4.6/9088=1 HB2 ARG 145 - QG2 THR 99 lone 5 100 - 5 - HG3 ARG 141 - QG2 THR 99 lone 4 77 - 6 - 2.8/9152=2 HG2 ARG 124 - QG2 THR 99 lone 4 92 - 4 - 3.0/9153=1 HB VAL 71 - QG2 THR 99 lone 3 98 - 3 - HB2 MET 68 - QG2 THR 99 lone 3 89 - 3 - Peak 9155 from cnoeabs.peaks (0.88, 1.26, 21.65 ppm; 3.62 A): 5 out of 7 assignments used, quality = 0.89: QD1 LEU 97 + QG2 THR 99 OK 57 100 - 57 - 3.7/9156=10, 2.1/9154=8...(17) QG2 ILE 101 + QG2 THR 99 OK 35 100 - 35 - 4.0/10153=7, 2.1/9152=7...(11) QD1 ILE 101 + QG2 THR 99 OK 32 98 - 32 - 5.0/10153=6, 3.2/9152=5...(11) QG2 ILE 136 + QG2 THR 99 OK 27 100 - 27 - 3.0/10467=4, 2.3/9154=4...(6) QG2 VAL 80 + QG2 THR 99 OK 20 72 - 27 - 8754=6, 3.2/10115=4...(7) HB3 LEU 42 - QG2 THR 99 lone 7 77 - 9 - 3.1/10124=4 QG2 ILE 56 - QG2 THR 99 lone 4 62 - 7 - Peak 9156 from cnoeabs.peaks (4.55, 1.26, 21.65 ppm; 3.54 A): 3 out of 4 assignments used, quality = 0.80: HA PRO 98 + QG2 THR 99 OK 55 100 - 55 - 3257/4.0=22, 9158/3.2=10...(9) HA LEU 97 + QG2 THR 99 OK 51 99 - 52 - 3.7/9155=8, 3191=7...(16) HA MET 59 + QG2 THR 99 OK 11 77 - 14 - 4.6/9153=4, 3.0/9152=3 HA GLU 28 - QG2 THR 99 lone 4 100 - 4 - 7162/4.0=1 Peak 9158 from cnoeabs.peaks (4.53, 4.10, 62.91 ppm; 4.22 A): 2 out of 6 assignments used, quality = 0.59: HA PRO 98 + HA THR 99 OK 41 62 - 66 - 3257/3.0=18, ~3273=17...(11) HA PRO 98 + HA PRO 52 OK 30 45 - 68 - 3.6/7169=9, ~3262=7...(23) HA GLU 28 - HA THR 99 lone 2 62 - 4 - 7162/3.0=1, 9156/3.2=1 HA HIS 14 - HA THR 99 lone 1 62 - 2 - ~10158=1 HA GLU 28 - HA PRO 52 lone 1 45 - 2 - HA HIS 14 - HA PRO 52 lone 1 45 - 2 - Peak 9159 from cnoeabs.peaks (4.56, 4.27, 68.69 ppm; 4.01 A): 3 out of 5 assignments used, quality = 0.69: HA LEU 97 + HB THR 99 OK 41 94 - 44 - 9156/2.1=11, 3.0/3298=9...(11) HA PRO 98 + HB THR 99 OK 39 77 - 50 - 3.6/3295=23, 9156/2.1=18...(8) HA ASN 130 + HB THR 99 OK 12 77 - 16 - ~10117=5, ~10158=4...(4) HA MET 59 - HB THR 99 lone 9 100 - 9 - 9156/2.1=2, ~9152=2 HA GLU 28 - HB THR 99 lone 3 77 - 4 - 9156/2.1=2, 7162/3.8=1 Peak 9161 from cnoeabs.peaks (1.25, 4.30, 57.98 ppm; 4.44 A): 5 out of 6 assignments used, quality = 0.89: QG2 THR 99 + HA SER 100 OK 58 98 - 59 - 3301/4.8=22, ~7176=16...(7) HB2 LEU 132 + HA SER 100 OK 49 94 - 52 - 4478/2.9=8, ~9166=8...(18) HG3 LYS 61 + HA SER 100 OK 21 98 - 21 - 7177/2.9=4, 9164/3.0=3...(9) HB3 LEU 97 + HA SER 100 OK 21 100 - 21 - 3293/4.8=6, 7177/2.9=4...(6) HG2 LYS 61 + HA SER 100 OK 17 81 - 20 - 7177/2.9=4, 9164/3.0=3...(9) QG2 THR 102 - HA SER 100 lone 3 68 - 4 - Peak 9162 from cnoeabs.peaks (0.89, 4.30, 57.98 ppm; 5.39 A): 4 out of 7 assignments used, quality = 0.94: QG2 VAL 80 + HA SER 100 OK 58 100 - 58 - 8762=32, 10165/2.9=11...(10) QG2 ILE 101 + HA SER 100 OK 54 89 - 61 - 4.0/7184=35, 10165/2.9=6...(10) QD1 ILE 101 + HA SER 100 OK 53 96 - 56 - 5.0/7184=29, 10165/2.9=7...(10) QG2 ILE 136 + HA SER 100 OK 39 89 - 44 - ~10473=6, ~9663=6...(14) QD1 LEU 97 - HA SER 100 OK 25 81 - 31 - 9148/4.8=9, 3.2/9161=5...(9) QG1 VAL 63 - HA SER 100 OK 20 62 - 32 - 9165/3.0=8, 3.2/3308=3...(14) QG1 VAL 53 - HA SER 100 OK 12 68 - 18 - 11305=5, 9165/3.0=5, 10165/2.9=3 Peak 9163 from cnoeabs.peaks (1.94, 3.83, 62.85 ppm; 6.37 A): 6 out of 11 assignments used, quality = 0.86: HB3 LEU 132 + HB2 SER 100 OK 48 77 - 62 - ~9161=13, 1.8/9164=12...(11) HB2 ARG 89 + HB2 SER 100 OK 34 100 - 34 - 2859/3.0=5, ~2867=5...(11) HB2 PRO 118 + HB2 SER 100 OK 29 62 - 46 - 2.3/11049=5, 1.8/3961=5...(13) HB2 GLN 62 + HB2 SER 100 OK 22 85 - 26 - ~10125=9, 4.0/3310=6...(5) HB3 GLU 122 + HB2 SER 100 OK 17 98 - 17 - 11034/9572=2, ~4066=2...(7) HB2 ARG 140 + HB2 SER 100 OK 11 89 - 13 - 9166/4.1=1 HB3 PRO 52 - HB2 SER 100 lone 9 100 - 9 - 2.3/10161=2, 1357/10161=1 HG2 PRO 52 - HB2 SER 100 lone 9 100 - 9 - 3.8/10161=2 HG2 PRO 12 - HB2 SER 100 lone 4 85 - 5 - HG3 PRO 12 - HB2 SER 100 lone 4 72 - 5 - HB3 PRO 98 - HB2 SER 100 lone 2 62 - 3 - Peak 9164 from cnoeabs.peaks (1.25, 3.83, 62.85 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.95: QG2 THR 99 + HB2 SER 100 OK 70 98 - 72 - 10153/4.5=24...(7) HB2 LEU 132 + HB2 SER 100 OK 57 94 - 60 - 9161/3.0=15, 1.8/9163=12...(11) HG3 LYS 61 + HB2 SER 100 OK 30 98 - 30 - ~9161=7, 9161/3.0=6...(6) HB3 LEU 97 + HB2 SER 100 OK 28 100 - 28 - 9161/3.0=6, 7177/4.1=6...(6) HG2 LYS 61 + HB2 SER 100 OK 24 81 - 29 - ~9161=6, 9161/3.0=6...(5) QG2 THR 102 - HB2 SER 100 lone 4 68 - 6 - Peak 9165 from cnoeabs.peaks (0.90, 3.83, 62.85 ppm; 5.08 A): 3 out of 4 assignments used, quality = 0.68: QG2 VAL 80 + HB2 SER 100 OK 40 89 - 45 - 8762/3.0=18, 10165/4.1=8...(9) QG1 VAL 63 + HB2 SER 100 OK 33 99 - 33 - 3.2/3313=3, 1798/1.8=3...(14) QG1 VAL 53 + HB2 SER 100 OK 21 100 - 21 - 11305/3.0=10, 10165/4.1=2 QD2 LEU 29 - HB2 SER 100 poor 10 77 - 13 - 4.9/10849=4, 2.1/8061=2 Peak 9168 from cnoeabs.peaks (3.84, 1.90, 37.21 ppm; 5.11 A): 4 out of 7 assignments used, quality = 0.96: HA ALA 104 + HB ILE 101 OK 82 100 - 82 - 2.1/10127=33, ~10198=17...(14) HA MET 68 + HB ILE 101 OK 44 100 - 44 - 8436/2.1=11, 8436/3.2=7...(16) HB2 SER 100 + HB ILE 101 OK 40 77 - 52 - 4.5/3328=27, 9169/2.1=7...(8) HA GLN 133 + HB ILE 101 OK 38 85 - 45 - 9169/2.1=8, 9614/3.0=6...(14) HB2 SER 127 - HB ILE 101 OK 27 100 - 27 - 9520/2.1=6, 9520/3.2=5...(6) HA LEU 72 - HB ILE 101 OK 13 96 - 13 - 3.8/9910=2, 3405/10127=2...(4) HD2 PRO 118 - HB ILE 101 poor 9 68 - 13 - ~11705=2, 9169/2.1=2, 7185/3.9=2 Peak 9169 from cnoeabs.peaks (3.84, 0.88, 17.37 ppm; 3.41 A): 6 out of 8 assignments used, quality = 0.92: HA ALA 104 + QG2 ILE 101 OK 69 100 - 69 - ~10127=13, 10199=11...(17) HA GLN 133 + QG2 ILE 101 OK 32 96 - 33 - 9617=5, 9614/3.2=4...(12) HB2 SER 100 + QG2 ILE 101 OK 29 92 - 32 - 4.5/3336=11, 3.0/9162=5...(9) HA MET 68 + QG2 ILE 101 OK 24 100 - 25 - 8436=7, 8436/3.1=4, 1955/2.1=3 HB2 SER 127 + QG2 ILE 101 OK 19 99 - 19 - 9520=3, 9520/3.1=3...(7) HA LEU 66 + QG2 ILE 101 OK 13 62 - 21 - 4.0/9892=3, 4.0/9901=3...(9) HD2 PRO 118 - QG2 ILE 101 lone 8 85 - 9 - 1.8/11705=1 HA LEU 72 - QG2 ILE 101 lone 6 85 - 6 - Peak 9171 from cnoeabs.peaks (3.89, 1.49, 26.96 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.84: HD3 PRO 98 + HG13 ILE 101 OK 81 81 - 99 - 9173/2.1=47, ~9175=39...(25) HA MET 46 + HG13 ILE 101 OK 15 68 - 22 - 9173/2.1=6, 4.8/3325=3...(10) Peak 9172 from cnoeabs.peaks (4.55, 0.89, 13.44 ppm; 3.56 A): 3 out of 4 assignments used, quality = 0.97: HA LEU 97 + QD1 ILE 101 OK 78 100 - 78 - 3.8/9175=23, 3.8/9173=21...(20) HA PRO 98 + QD1 ILE 101 OK 69 99 - 70 - 3.6/9175=25, 3.6/9173=22...(17) HA MET 59 + QD1 ILE 101 OK 49 89 - 55 - 3.7/9181=8, 3.6/10540=8...(21) HA GLU 28 - QD1 ILE 101 OK 10 99 - 10 - 10139/2.1=2, 3.0/10543=2...(4) Peak 9173 from cnoeabs.peaks (3.90, 0.89, 13.44 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.94: HD3 PRO 98 + QD1 ILE 101 OK 92 100 - 92 - 1.8/9175=38, 9171/2.1=15...(31) HA MET 46 + QD1 ILE 101 OK 17 98 - 17 - 3240/9175=2, 9171/2.1=2...(7) Peak 9175 from cnoeabs.peaks (3.43, 0.89, 13.44 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.79: HD2 PRO 98 + QD1 ILE 101 OK 79 92 - 86 - 1.8/9173=29...(31) HA LEU 42 - QD1 ILE 101 lone 1 68 - 2 - Peak 9179 from cnoeabs.peaks (4.00, 0.89, 13.44 ppm; 4.08 A): 9 out of 9 assignments used, quality = 0.88: HB3 SER 100 + QD1 ILE 101 OK 30 81 - 37 - 4.5/3360=16, 3.0/9162=6...(10) HA LYS 114 + QD1 ILE 101 OK 29 100 - 29 - 3737/2.1=7, ~3761=4...(9) HA LEU 69 + QD1 ILE 101 OK 29 100 - 29 - 10963=4, 10963/3.1=3...(11) HB2 SER 138 + QD1 ILE 101 OK 21 100 - 21 - 9723/3.1=3, 4.7/9727=3...(7) HB3 SER 138 + QD1 ILE 101 OK 20 100 - 21 - 9723/3.1=3, 4.7/9727=3...(7) HB3 SER 127 + QD1 ILE 101 OK 16 72 - 22 - 1.8/9520=4, 9521=4...(9) HA MET 113 + QD1 ILE 101 OK 16 100 - 16 - 3.0/10542=4, 3.0/10131=3...(4) HA GLU 122 + QD1 ILE 101 OK 12 100 - 12 - 3.0/10171=2, 10963=1 HB2 SER 103 + QD1 ILE 101 OK 11 81 - 14 - 4.6/9193=4, 4.1/10188=3 Peak 9180 from cnoeabs.peaks (2.03, 0.89, 13.44 ppm; 3.12 A): 3 out of 4 assignments used, quality = 0.58: HB3 LYS 34 + QD1 ILE 101 OK 43 99 - 43 - 10180/2.1=7, 2.9/10178=5...(18) HB2 PRO 33 + QD1 ILE 101 OK 15 77 - 19 - ~9792=5, 10180/2.1=4...(7) HB2 GLU 90 + QD1 ILE 101 OK 14 100 - 14 - 3.0/8958=3, 3.0/10131=2...(4) HB2 GLU 37 - QD1 ILE 101 poor 10 62 - 15 - 3.0/9181=11, ~9186=1 Peak 9181 from cnoeabs.peaks (2.38, 0.89, 13.44 ppm; 3.49 A): 5 out of 7 assignments used, quality = 0.87: HG2 MET 59 + QD1 ILE 101 OK 57 100 - 57 - 4.6/10540=7, 10412/2.1=6...(26) HG3 MET 59 + QD1 ILE 101 OK 53 94 - 57 - 4.6/10540=7, 10412/2.1=6...(26) HG3 GLU 37 + QD1 ILE 101 OK 18 100 - 18 - 3.0/9180=5, 3.0/9180=4...(6) HG2 MET 46 + QD1 ILE 101 OK 11 92 - 12 - 4.1/9173=3, 3.0/10710=2 HG3 MET 11 + QD1 ILE 101 OK 10 98 - 10 - 9186/3.1=3, 9127/3222=1 HB ILE 91 - QD1 ILE 101 lone 6 94 - 7 - HG2 GLN 25 - QD1 ILE 101 lone 4 94 - 5 - 9186/3.1=1 Peak 9183 from cnoeabs.peaks (2.05, 1.23, 26.96 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.99: HG2 PRO 98 + HG12 ILE 101 OK 94 99 - 95 - ~9175=22, ~9175=20...(26) HG3 PRO 98 + HG12 ILE 101 OK 86 92 - 94 - ~9175=22, ~9175=20...(24) HB2 PRO 33 - HG12 ILE 101 OK 25 85 - 30 - ~9792=8, ~10994=3...(10) HB2 PRO 52 - HG12 ILE 101 lone 9 98 - 9 - 3238/9184=2, 10535/3.2=1...(4) HA ARG 35 - HG12 ILE 101 lone 4 92 - 4 - ~6178=2 Peak 9184 from cnoeabs.peaks (3.43, 1.23, 26.96 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.99: HD2 PRO 98 + HG12 ILE 101 OK 99 99 - 100 - 9175/2.1=49, ~9173=42...(25) Peak 9186 from cnoeabs.peaks (2.37, 0.88, 17.37 ppm; 4.41 A): 5 out of 7 assignments used, quality = 0.92: HG2 MET 59 + QG2 ILE 101 OK 66 89 - 74 - 9181/3.1=12, 3.7/10140=9...(32) HG3 MET 59 + QG2 ILE 101 OK 53 72 - 73 - 9181/3.1=12, 3.7/10140=9...(31) HG3 GLU 37 + QG2 ILE 101 OK 28 89 - 31 - 9181/3.1=20, ~9180=3...(6) HG3 MET 11 + QG2 ILE 101 OK 21 100 - 21 - 9181/3.1=10, 9127/3222=2...(7) HG2 MET 46 + QG2 ILE 101 OK 10 68 - 15 - 3.0/10710=3, 9181/3.1=2...(5) HB ILE 91 - QG2 ILE 101 poor 8 72 - 11 - 9181/3.1=1, ~11577=1, ~8965=1 HG2 GLN 25 - QG2 ILE 101 lone 4 72 - 6 - 9181/3.1=2 Peak 9187 from cnoeabs.peaks (2.38, 4.21, 60.96 ppm; 4.97 A): 4 out of 14 assignments used, quality = 0.94: HG2 MET 59 + HA ILE 101 OK 63 100 - 63 - 9181/4.1=13, 9186/3.2=11...(20) HG3 MET 59 + HA ILE 101 OK 60 98 - 62 - 9181/4.1=12, ~9186=9...(19) HB ILE 91 + HA PHE 45 OK 43 87 - 49 - ~8998=11, 9817/4.9=9...(11) HG2 MET 46 + HA PHE 45 OK 34 85 - 40 - 1066/3.6=17, 9817/4.9=7...(7) HG3 GLU 37 - HA ILE 101 OK 34 100 - 34 - 9181/4.1=20, 9186/3.2=7...(5) HG2 MET 46 - HA ILE 101 OK 23 96 - 24 - 5.1/1018=6, 9181/4.1=3...(8) HG3 MET 11 - HA ILE 101 OK 22 94 - 23 - 9181/4.1=11, 9186/3.2=6...(4) HG2 MET 59 - HA PHE 45 OK 19 92 - 20 - 6388/3.6=4, 1044/4.8=3...(6) HG3 GLU 37 - HA PHE 45 OK 18 92 - 20 - 4.4/1015=6, ~773=3...(6) HG3 MET 59 - HA PHE 45 OK 17 87 - 20 - 6388/3.6=4, 1044/4.8=3...(6) HB ILE 91 - HA ILE 101 OK 13 98 - 13 - 3.0/8965=3, 9181/4.1=1...(4) HG2 GLN 25 - HA PHE 45 OK 12 87 - 14 - 6388/3.6=4, 997/4.9=3...(4) HG2 GLN 25 - HA ILE 101 OK 11 98 - 12 - 9181/4.1=4, 9186/3.2=3...(4) HG3 MET 11 - HA PHE 45 lone 5 83 - 6 - 1044/4.8=2, 6388/3.6=1 Peak 9189 from cnoeabs.peaks (0.89, 4.21, 63.05 ppm; 4.05 A): 3 out of 7 assignments used, quality = 0.95: QG2 ILE 101 + HA THR 102 OK 71 89 - 79 - 3343/3.0=18, 2.1/3329=9...(28) QD1 ILE 101 + HA THR 102 OK 70 96 - 73 - 10172/3.0=13, 3361=11...(20) QD1 LEU 97 + HA THR 102 OK 44 81 - 54 - 2.1/9122=11, 3.2/3371=9...(19) QG2 ILE 136 - HA THR 102 OK 19 89 - 21 - 7201/3.0=2, 4.3/7756=2...(8) QG2 VAL 80 - HA THR 102 lone 10 100 - 9 - 8754/3.2=2, 10188/3.6=1 QG1 VAL 63 - HA THR 102 lone 4 62 - 6 - 10188/3.6=2 QG1 VAL 53 - HA THR 102 lone 1 68 - 1 - Peak 9190 from cnoeabs.peaks (0.88, 4.23, 69.08 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.98: QG2 ILE 101 + HB THR 102 OK 80 100 - 80 - 3343/3.9=22, 9191/2.1=14...(24) QD1 ILE 101 + HB THR 102 OK 74 99 - 75 - 10172/3.9=15...(24) QD1 LEU 97 + HB THR 102 OK 69 100 - 69 - 10134/3.9=14...(21) QG2 ILE 136 - HB THR 102 OK 21 100 - 21 - 9191/2.1=4, 9189/3.0=3...(7) QG2 VAL 80 - HB THR 102 lone 7 77 - 9 - 8754/2.1=1, 10188/4.6=1...(4) HB3 LEU 42 - HB THR 102 lone 5 72 - 6 - 9195/9204=2, ~10096=1 Peak 9191 from cnoeabs.peaks (0.88, 1.27, 22.25 ppm; 3.98 A): 4 out of 6 assignments used, quality = 0.95: QG2 ILE 101 + QG2 THR 102 OK 64 100 - 65 - 3343/4.0=16, 9190/2.1=9...(20) QD1 LEU 97 + QG2 THR 102 OK 59 100 - 59 - 10134/4.0=9, 9190/2.1=7...(23) QD1 ILE 101 + QG2 THR 102 OK 58 99 - 58 - 10172/4.0=11, 9190/2.1=8...(18) QG2 ILE 136 + QG2 THR 102 OK 17 100 - 17 - 9190/2.1=2, 3.0/10340=2...(7) QG2 VAL 80 - QG2 THR 102 lone 6 77 - 8 - 8754=1 HB3 LEU 42 - QG2 THR 102 lone 3 72 - 3 - Peak 9194 from cnoeabs.peaks (1.15, 3.84, 54.97 ppm; 3.97 A): 4 out of 12 assignments used, quality = 0.93: QG2 THR 92 + HA ALA 104 OK 79 100 - 79 - 10088/2.1=48, ~10201=14...(10) HB2 LEU 72 + HA ALA 104 OK 38 62 - 61 - 9197/2.1=10, ~10172=8...(19) HG LEU 64 + HA ALA 104 OK 30 72 - 41 - ~9195=14, 9197/2.1=11...(8) HB2 LEU 72 + HA MET 68 OK 23 32 - 73 - 3.2/2142=9, 3.4/9918=9...(33) QG2 THR 92 - HA MET 68 OK 19 61 - 30 - 10084=11, 9869/4.9=3...(9) QD1 LEU 69 - HA ALA 104 OK 14 62 - 23 - 9197/2.1=5, ~9199=2...(8) QD1 LEU 69 - HA MET 68 OK 12 32 - 39 - 2036/3.6=8, 9914/3.7=5...(12) HG2 LYS 76 - HA ALA 104 OK 11 72 - 15 - 9197/2.1=3, ~10156=3...(4) HG2 LYS 76 - HA MET 68 poor 7 38 - 19 - 6694/3.6=3, 5.1/6801=2...(7) QG2 THR 18 - HA ALA 104 lone 4 77 - 5 - HG LEU 64 - HA MET 68 lone 4 38 - 9 - 9869/4.9=2, 8518/8506=1 QG2 THR 18 - HA MET 68 lone 3 41 - 6 - 9869/4.9=3 Peak 9195 from cnoeabs.peaks (0.88, 1.28, 18.55 ppm; 2.66 A): 5 out of 6 assignments used, quality = 0.80: QG2 ILE 101 + QB ALA 104 OK 42 94 - 45 - 2.1/10127=10...(13) QD1 ILE 101 + QB ALA 104 OK 35 85 - 41 - 2.1/10198=11...(14) QG2 ILE 136 + QB ALA 104 OK 26 94 - 27 - 10157/2.1=3, 2.1/9199=3...(11) QD1 LEU 97 + QB ALA 104 OK 19 98 - 20 - 9130/10088=6, 3.2/9201=1...(6) QG2 ILE 56 + QB ALA 104 OK 13 85 - 16 - 2.1/9200=5, 10604/2.9=3...(4) HB3 LEU 42 - QB ALA 104 poor 10 94 - 10 - 3.0/10096=4, 9027/10088=2 Peak 9196 from cnoeabs.peaks (0.74, 1.28, 18.55 ppm; 3.11 A): 5 out of 5 assignments used, quality = 0.86: QD1 LEU 108 + QB ALA 104 OK 52 100 - 52 - 10172=24, 2.1/9201=7...(11) QD1 LEU 72 + QB ALA 104 OK 40 77 - 52 - 10172=16, 3.1/9197=7...(18) QD1 ILE 136 + QB ALA 104 OK 27 81 - 33 - 3.0/9195=5, 2.5/9199=4...(12) QD2 LEU 108 + QB ALA 104 OK 23 62 - 38 - 2.1/10172=16, 2.1/9201=7...(8) QG2 VAL 73 + QB ALA 104 OK 16 85 - 19 - 3.9/3404=3, 2179/2.9=3...(7) Peak 9197 from cnoeabs.peaks (1.16, 1.28, 18.55 ppm; 2.73 A): 4 out of 4 assignments used, quality = 0.85: QG2 THR 92 + QB ALA 104 OK 69 98 - 71 - 10088=45, 2.1/9204=9...(13) HB2 LEU 72 + QB ALA 104 OK 33 94 - 36 - 3.1/10172=7, 3.0/3405=3...(16) QD1 LEU 69 + QB ALA 104 OK 16 94 - 17 - 8473/9196=3, 3.2/9199=2...(5) HG2 LYS 76 + QB ALA 104 OK 11 98 - 12 - 9944/9196=3, 3.0/10156=2 Peak 9198 from cnoeabs.peaks (3.10, 1.28, 18.55 ppm; 4.18 A): 3 out of 4 assignments used, quality = 0.73: HA ALA 105 + QB ALA 104 OK 65 81 - 80 - 2.1/9222=35, 2.9/7227=33...(12) HD2 ARG 109 + QB ALA 104 OK 12 62 - 20 - 3416/4.1=5, 7228/3.7=3...(7) HB3 ASN 96 + QB ALA 104 OK 11 72 - 15 - 9011/10088=7, 3.9/9088=1 HB3 HIS 10 - QB ALA 104 lone 3 100 - 3 - Peak 9199 from cnoeabs.peaks (1.90, 1.28, 18.55 ppm; 3.23 A): 7 out of 12 assignments used, quality = 0.89: HB ILE 101 + QB ALA 104 OK 67 100 - 67 - 10127=24, 3.0/10198=13...(14) HB ILE 136 + QB ALA 104 OK 29 81 - 35 - 2.1/9195=7, 2.5/9196=5...(13) HB2 LYS 24 + QB ALA 104 OK 18 100 - 18 - 10884=6, 11349/10193=2...(5) HB3 LEU 69 + QB ALA 104 OK 18 99 - 18 - 3.2/9197=3, 3.0/9203=3...(5) QE MET 68 + QB ALA 104 OK 16 96 - 16 - 1992/2.1=3, 8424/10172=2...(5) HB3 LYS 93 + QB ALA 104 OK 14 85 - 16 - 3.0/9204=6, 4.1/10103=5 HB3 ARG 140 + QB ALA 104 OK 10 89 - 12 - 4723/2.9=2, 4.0/3404=1, ~4713=1 HB3 GLN 111 - QB ALA 104 lone 8 100 - 8 - 1.8/9200=3 HB3 ARG 89 - QB ALA 104 lone 8 100 - 8 - 9025/10088=3 HG13 ILE 83 - QB ALA 104 poor 8 72 - 11 - 3.2/9195=4, 9025/10088=2 HB3 ARG 141 - QB ALA 104 poor 8 72 - 11 - 3.0/9204=4, 2.8/9201=1 HB2 LYS 86 - QB ALA 104 lone 1 62 - 2 - Peak 9200 from cnoeabs.peaks (1.99, 1.28, 18.55 ppm; 3.18 A): 5 out of 9 assignments used, quality = 0.69: QE MET 59 + QB ALA 104 OK 36 100 - 36 - 10408/9196=12...(9) HB VAL 63 + QB ALA 104 OK 22 100 - 22 - 10155/2.1=6, 3.0/8354=4...(7) HB3 GLU 75 + QB ALA 104 OK 15 77 - 19 - 10170/9196=3, ~2208=2...(8) QE MET 113 + QB ALA 104 OK 15 99 - 15 - 10155/2.1=4...(4) HB2 GLU 142 + QB ALA 104 OK 14 99 - 14 - ~10510=4, 3.0/9204=3...(4) HB2 GLN 111 - QB ALA 104 lone 7 89 - 8 - 1.8/9199=1, 10197/2.1=1 QE MET 11 - QB ALA 104 lone 6 68 - 9 - 3.3/9202=4...(3) HB3 ARG 124 - QB ALA 104 lone 3 68 - 4 - HG3 PRO 52 - QB ALA 104 lone 2 72 - 3 - Peak 9201 from cnoeabs.peaks (1.62, 1.28, 18.55 ppm; 3.69 A): 6 out of 11 assignments used, quality = 0.85: HG LEU 108 + QB ALA 104 OK 54 89 - 60 - 2.1/9196=41...(5) HB3 LEU 64 + QB ALA 104 OK 45 100 - 45 - 3.2/9195=17, 3.0/9197=10...(11) HB2 LEU 97 + QB ALA 104 OK 18 81 - 22 - 10128/10088=6...(5) HD2 LYS 24 + QB ALA 104 OK 13 77 - 16 - 3.7/10884=5...(6) HB2 LEU 87 + QB ALA 104 OK 11 100 - 11 - 9026/10088=2...(4) HG3 ARG 144 + QB ALA 104 OK 10 100 - 10 - 4918/2.9=2, 9026/10088=1 HG2 ARG 141 - QB ALA 104 poor 9 85 - 10 - 3.8/9204=4, 2.8/9199=1 HG3 LYS 34 - QB ALA 104 lone 7 77 - 10 - 1.8/10198=2...(3) HG3 ARG 49 - QB ALA 104 lone 7 100 - 7 - 3498/9196=2 HG2 ARG 144 - QB ALA 104 lone 4 68 - 6 - HG3 LYS 48 - QB ALA 104 lone 3 62 - 5 - Peak 9202 from cnoeabs.peaks (2.38, 1.28, 18.55 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.95: HG2 MET 59 + QB ALA 104 OK 67 100 - 67 - ~10402=16, 3.4/9200=15...(17) HG3 MET 59 + QB ALA 104 OK 63 94 - 67 - ~10402=16, 3.4/9200=15...(15) HB ILE 91 + QB ALA 104 OK 62 94 - 66 - 4.7/10104=30...(13) HG3 MET 11 - QB ALA 104 OK 30 98 - 31 - 9024/10088=9, 3.3/9200=5...(8) HG3 GLU 37 - QB ALA 104 OK 24 100 - 24 - 9024/10088=10...(6) HG2 MET 46 - QB ALA 104 OK 15 92 - 16 - 11507/10829=5, ~10684=2...(5) HG2 GLN 25 - QB ALA 104 OK 13 94 - 14 - 9024/10088=2...(5) Peak 9203 from cnoeabs.peaks (4.01, 1.28, 18.55 ppm; 3.82 A): 8 out of 10 assignments used, quality = 0.90: HB THR 107 + QB ALA 104 OK 45 100 - 46 - 3403/2.1=15, 4.1/10191=9...(11) HA LYS 123 + QB ALA 104 OK 37 98 - 38 - 2.9/10190=20, 3403/2.1=8...(5) HB2 SER 103 + QB ALA 104 OK 27 100 - 27 - 3.0/9205=9, 7218/2.9=8...(4) HB3 SER 100 + QB ALA 104 OK 25 100 - 25 - 4.5/10193=9, 3403/2.1=4...(6) HA VAL 63 + QB ALA 104 OK 24 77 - 31 - 8354=7, 3.0/9200=6...(8) HA GLU 122 + QB ALA 104 OK 13 62 - 21 - 3.6/10190=18 HA GLU 81 + QB ALA 104 OK 12 92 - 13 - 9970/8760=3, 4.9/8744=3...(4) HA GLU 37 + QB ALA 104 OK 11 94 - 11 - 3.8/9202=5, 3403/2.1=1 HA MET 113 - QB ALA 104 lone 3 62 - 5 - 5.4/9200=2 HA LYS 114 - QB ALA 104 lone 3 62 - 5 - Peak 9204 from cnoeabs.peaks (4.23, 1.28, 18.55 ppm; 3.70 A): 4 out of 5 assignments used, quality = 0.86: HB THR 92 + QB ALA 104 OK 71 85 - 83 - 2.1/10088=43...(15) HB THR 102 + QB ALA 104 OK 36 100 - 36 - 3.9/3407=6, ~10185=6...(10) HA ARG 141 + QB ALA 104 OK 15 99 - 15 - 9206/2.9=3, ~7832=1...(5) HA GLU 142 + QB ALA 104 OK 12 62 - 19 - 10510/2.9=6, 3.0/9200=4...(6) HA LYS 85 - QB ALA 104 lone 4 85 - 5 - 9206/2.9=1 Peak 9205 from cnoeabs.peaks (4.48, 1.28, 18.55 ppm; 4.73 A): 0 out of 3 assignments used, low quality = 0.29: HA SER 103 - QB ALA 104 OK 16 62 - 26 - ~7218=7, 3.0/9203=6...(6) HA SER 44 - QB ALA 104 OK 15 68 - 22 - 4.8/10829=16, 7217/2.9=3 HA ASP 13 - QB ALA 104 lone 6 89 - 6 - 3.6/10191=3 Peak 9210 from cnoeabs.peaks (7.50, 1.12, 17.85 ppm; 3.35 A): 2 out of 5 assignments used, quality = 0.71: H TYR 70 + QB ALA 105 OK 48 98 - 49 - 9210=43, ~11538=5, 1930/9215=1 HD1 TRP 88 + QB ALA 105 OK 45 77 - 58 - 2.6/10215=19, 8926=18...(7) HE22 GLN 25 - QB ALA 105 lone 5 98 - 6 - 10204/2.1=4 HE ARG 49 - QB ALA 105 lone 5 100 - 5 - 10204/2.1=2 HE21 GLN 47 - QB ALA 105 lone 1 89 - 1 - Peak 9211 from cnoeabs.peaks (3.30, 1.12, 17.85 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.80: HB2 TRP 88 + QB ALA 105 OK 71 100 - 71 - 9211=31, 1.8/8927=20...(12) HD3 ARG 109 + QB ALA 105 OK 32 100 - 32 - 1.8/3416=8, 10202/2.1=6...(8) HD2 ARG 124 - QB ALA 105 lone 9 100 - 9 - 9211=2, 2841/8927=1, 10160/2.1=1 HB3 TRP 17 - QB ALA 105 lone 4 85 - 4 - 9211=3 Peak 9214 from cnoeabs.peaks (3.96, 1.12, 17.85 ppm; 4.60 A): 2 out of 7 assignments used, quality = 0.96: HA PHE 106 + QB ALA 105 OK 92 100 - 92 - 3.0/7237=40, 9232=34...(17) HB3 SER 103 + QB ALA 105 OK 52 94 - 56 - 10145/4.7=17...(8) HA LYS 48 - QB ALA 105 OK 22 100 - 22 - 9214=4, ~10196=3...(9) HA3 GLY 94 - QB ALA 105 OK 17 100 - 17 - 9214=4, 11698/11675=2...(7) HA ALA 60 - QB ALA 105 OK 14 100 - 14 - 9214=3, 8915/10215=1...(4) HA LEU 29 - QB ALA 105 poor 9 68 - 14 - 4.0/9220=3, 10838/3.7=3...(5) HD3 PRO 129 - QB ALA 105 lone 5 72 - 7 - 9214=1, 8915/10215=1 Peak 9215 from cnoeabs.peaks (4.20, 1.12, 17.85 ppm; 4.68 A): 3 out of 4 assignments used, quality = 0.66: HA PHE 43 + QB ALA 105 OK 39 100 - 39 - 10829/4.1=19...(4) HA PHE 67 + QB ALA 105 OK 28 100 - 28 - 1930/9210=13, 9215=7...(6) HA ALA 134 + QB ALA 105 OK 24 72 - 33 - 9215=8, 2.8/3418=8...(8) HA CYS 121 - QB ALA 105 lone 6 81 - 8 - 7522/7534=2, 6700/9210=2 Peak 9219 from cnoeabs.peaks (0.74, 3.11, 55.10 ppm; 3.99 A): 4 out of 5 assignments used, quality = 0.94: QD1 LEU 108 + HA ALA 105 OK 79 100 - 79 - 9260=22, 2.1/9263=22...(14) QD2 LEU 108 + HA ALA 105 OK 44 62 - 71 - 3.2/3414=21, 2.1/9260=16...(13) QD1 LEU 72 + HA ALA 105 OK 35 77 - 46 - 10166=10, 9221/2.1=7...(13) QD1 ILE 136 + HA ALA 105 OK 27 81 - 34 - 3.0/10335=8, 9221/2.1=4...(12) QG2 VAL 73 - HA ALA 105 OK 26 85 - 30 - 2.1/8570=13, 9221/2.1=4...(8) Peak 9220 from cnoeabs.peaks (0.90, 1.12, 17.85 ppm; 3.92 A): 3 out of 5 assignments used, quality = 0.48: QD1 ILE 101 + QB ALA 105 OK 25 62 - 39 - 3.1/9220=8, ~10173=5...(11) QG1 VAL 63 + QB ALA 105 OK 18 96 - 18 - 9225/3.7=3, 10935/4.7=3...(5) QG2 VAL 80 + QB ALA 105 OK 17 94 - 18 - 9225/3.7=5, 8754/4.1=3...(5) QG1 VAL 53 - QB ALA 105 lone 9 98 - 9 - 10631/10207=2...(4) QD2 LEU 29 - QB ALA 105 poor 9 68 - 13 - 10841/4.1=3, 10834/3.7=2...(4) Peak 9221 from cnoeabs.peaks (0.76, 1.12, 17.85 ppm; 3.84 A): 5 out of 5 assignments used, quality = 0.96: QD1 LEU 108 + QB ALA 105 OK 68 85 - 80 - 2.1/9221=18, 9260/2.1=16...(19) QD1 LEU 72 + QB ALA 105 OK 46 100 - 46 - 10172/4.1=10...(11) QD2 LEU 72 + QB ALA 105 OK 41 98 - 42 - 9954/2.1=9, 2.1/9221=7...(10) QD1 ILE 136 + QB ALA 105 OK 37 100 - 37 - 3.0/9220=5, ~10335=4...(14) QG2 VAL 73 + QB ALA 105 OK 35 100 - 35 - ~8570=7, ~8570=7...(12) Peak 9222 from cnoeabs.peaks (1.28, 1.12, 17.85 ppm; 3.19 A): 2 out of 4 assignments used, quality = 0.82: QB ALA 104 + QB ALA 105 OK 77 100 - 77 - 4.1=47, 7227/2.9=21...(13) QG2 THR 102 + QB ALA 105 OK 18 72 - 25 - 9222=10, 7227/2.9=4...(7) HG12 ILE 58 - QB ALA 105 lone 3 99 - 3 - 7227/2.9=1 HG13 ILE 58 - QB ALA 105 lone 3 89 - 3 - Peak 9223 from cnoeabs.peaks (1.62, 3.11, 55.10 ppm; 5.32 A): 4 out of 11 assignments used, quality = 0.89: HG LEU 108 + HA ALA 105 OK 75 89 - 84 - 3.0/3414=32, 2.1/9263=31...(10) HB2 LEU 97 + HA ALA 105 OK 28 81 - 34 - 3.1/9126=19, 4.0/7152=4...(7) HB3 LEU 64 + HA ALA 105 OK 27 100 - 27 - 1.8/3413=5, 9224/2.9=4...(9) HG3 ARG 49 + HA ALA 105 OK 21 100 - 21 - 3.9/10204=11...(4) HB2 LEU 87 - HA ALA 105 lone 8 100 - 8 - 8881/9986=1 HG3 ARG 144 - HA ALA 105 lone 8 100 - 7 - 9224/2.9=2 HG3 LYS 48 - HA ALA 105 poor 7 62 - 11 - 4.9/10196=4 HG3 LYS 34 - HA ALA 105 lone 6 77 - 7 - 9224/2.9=2...(3) HG2 ARG 144 - HA ALA 105 lone 5 68 - 7 - ~9224=2 HG2 ARG 141 - HA ALA 105 lone 5 85 - 5 - 3218/9126=1 HD2 LYS 24 - HA ALA 105 lone 4 77 - 6 - 9224/2.9=2 Peak 9228 from cnoeabs.peaks (2.96, 1.12, 17.85 ppm; 4.40 A): 5 out of 9 assignments used, quality = 0.91: HB2 PHE 106 + QB ALA 105 OK 81 85 - 95 - 4.7=82, 4.0/7237=30...(11) HB3 TYR 27 + QB ALA 105 OK 26 94 - 28 - 9229/2.9=8, 9228=7...(5) HB3 PHE 67 + QB ALA 105 OK 14 85 - 17 - 3.0/9215=8, 9228=4...(4) HE2 LYS 48 + QB ALA 105 OK 13 81 - 16 - 9228=4, 7239/3.7=3...(7) HA VAL 71 + QB ALA 105 OK 12 85 - 14 - 9229/2.9=9, 9955/9221=1 HE3 LYS 48 - QB ALA 105 poor 10 62 - 16 - 7239/3.7=3, 1.8/9228=3...(6) HE2 LYS 85 - QB ALA 105 lone 5 72 - 7 - 7239/3.7=2, 3440/4.7=1, 9228=1 HE2 LYS 93 - QB ALA 105 lone 4 77 - 5 - 7239/3.7=1, 9228=1 HB2 TYR 115 - QB ALA 105 lone 4 81 - 5 - 9228=1 Peak 9230 from cnoeabs.peaks (2.09, 7.14, 131.28 ppm; 5.46 A): 5 out of 9 assignments used, quality = 0.72: HG2 PRO 118 + QD PHE 106 OK 38 90 - 42 - 3.8/9425=17, 2.3/9426=14...(6) HG2 GLU 122 + QD PHE 106 OK 32 56 - 57 - 1.8/9445=26, 9444=15...(8) HB2 GLU 131 + QD PHE 106 OK 15 90 - 16 - ~9569=3, ~9568=2...(6) HB VAL 53 + QD PHE 106 OK 12 92 - 13 - ~11240=7, ~4833=2, 3.0/9807=2 HB3 LYS 36 + QD PHE 106 OK 11 95 - 12 - 10613/5670=5...(3) HG3 PRO 33 - QD PHE 106 lone 7 93 - 7 - 3943/9425=1 HG2 PRO 33 - QD PHE 106 lone 6 87 - 6 - 3943/9425=1 HB3 GLN 25 - QD PHE 106 lone 4 94 - 4 - HB3 GLU 142 - QD PHE 106 lone 2 93 - 2 - Peak 9231 from cnoeabs.peaks (1.93, 7.14, 131.28 ppm; 6.80 A): 7 out of 12 assignments used, quality = 0.88: HB3 GLU 122 + QD PHE 106 OK 53 78 - 68 - 3.0/9444=32, 3.0/9445=27...(9) HB2 PRO 118 + QD PHE 106 OK 46 78 - 59 - 2.3/9425=27, 2.3/9230=15...(6) HB3 LEU 132 + QD PHE 106 OK 19 87 - 22 - 3.2/10415=5, 9987/9955=3...(7) HG2 PRO 12 + QD PHE 106 OK 15 92 - 16 - 10665/2.2=3, ~11048=3, ~9769=2 HG3 PRO 12 + QD PHE 106 OK 13 84 - 15 - ~10665=3, ~11048=3...(4) HB3 PRO 52 + QD PHE 106 OK 11 90 - 12 - 4083/9444=3, 1361/9445=3 HG2 PRO 52 + QD PHE 106 OK 10 87 - 12 - 4083/9444=3, 1369/9445=3 HB2 GLN 62 - QD PHE 106 lone 7 92 - 8 - 8342/9955=3 HB2 ARG 140 - QD PHE 106 lone 7 93 - 8 - 3941/9425=2, 3951/9230=1 HB2 ARG 89 - QD PHE 106 lone 6 95 - 6 - 2859/9425=2 HB2 LYS 86 - QD PHE 106 lone 4 56 - 6 - HB2 MET 59 - QD PHE 106 lone 2 70 - 4 - Peak 9232 from cnoeabs.peaks (1.12, 3.96, 60.28 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.94: QB ALA 105 + HA PHE 106 OK 93 100 - 93 - 7237/3.0=41...(17) HD2 LYS 123 + HA PHE 106 OK 19 100 - 19 - 7237/3.0=7, 10222/3.6=6 Peak 9235 from cnoeabs.peaks (7.15, 3.71, 66.06 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.80: QD PHE 106 + HA THR 107 OK 71 89 - 80 - 7254/3.0=24, ~3437=21...(12) QD TYR 117 + HA THR 107 OK 31 100 - 31 - 7254/3.0=12, 3423/4.8=8...(6) QE TYR 115 - HA THR 107 lone 6 77 - 8 - 9355/9241=1, 9848/9241=1 Peak 9236 from cnoeabs.peaks (7.13, 4.02, 68.28 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.71: QD PHE 106 + HB THR 107 OK 59 100 - 60 - 5.0/3454=27, 9235/3.0=15...(6) QD TYR 117 + HB THR 107 OK 29 85 - 34 - 7254/4.1=11, 9235/3.0=7...(10) QE PHE 45 - HB THR 107 lone 2 68 - 3 - Peak 9241 from cnoeabs.peaks (1.03, 3.71, 66.06 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.75: QG2 THR 110 + HA THR 107 OK 72 100 - 72 - 2.1/3452=36, 10240=26...(8) HB2 LEU 116 + HA THR 107 OK 10 98 - 10 - 3597/3452=4, 7315/3451=2 Peak 9242 from cnoeabs.peaks (0.87, 3.71, 66.06 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.97: QD1 LEU 64 + HA THR 107 OK 71 85 - 83 - ~9247=25, ~10222=24...(13) QG2 ILE 136 + HA THR 107 OK 58 72 - 81 - 9245/3.2=14, 2.1/4604=12...(19) QG2 ILE 101 + HA THR 107 OK 54 72 - 75 - 9245/3.2=12, ~11630=12...(18) QG2 ILE 56 + HA THR 107 OK 40 99 - 40 - 2.1/9250=9, 9243/3.0=6...(13) QD1 LEU 97 - HA THR 107 OK 24 81 - 30 - 9245/3.2=4, 9243/3.0=4...(8) QG2 ILE 83 - HA THR 107 poor 8 68 - 12 - 10363/10356=2, 11041=2...(5) HB3 LEU 42 - HA THR 107 lone 6 100 - 6 - 1846/9841=1 Peak 9243 from cnoeabs.peaks (0.89, 4.02, 68.28 ppm; 4.73 A): 4 out of 7 assignments used, quality = 0.93: QG2 ILE 136 + HB THR 107 OK 56 89 - 63 - 9245/2.1=14, 3.2/3455=9...(16) QD1 ILE 101 + HB THR 107 OK 56 96 - 58 - 9245/2.1=12, 2.1/3457=7...(17) QG2 ILE 101 + HB THR 107 OK 51 89 - 57 - 9245/2.1=11, ~11043=7...(14) QG1 VAL 63 + HB THR 107 OK 30 62 - 48 - 2.1/9249=9, 2.1/1803=6...(16) QG2 VAL 80 - HB THR 107 OK 21 100 - 21 - 9245/2.1=3, 9955/9236=2...(9) QD1 LEU 97 - HB THR 107 OK 14 81 - 17 - 9245/2.1=4, 3.2/9248=3...(4) QG1 VAL 53 - HB THR 107 lone 6 68 - 9 - ~9241=2 Peak 9244 from cnoeabs.peaks (0.74, 4.02, 68.28 ppm; 4.54 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 108 + HB THR 107 OK 81 96 - 84 - ~9246=30, 4.4/3458=21...(19) QD2 LEU 108 + HB THR 107 OK 63 85 - 74 - 7275/4.7=22, 2.1/9248=12...(17) QG2 VAL 73 + HB THR 107 OK 12 62 - 19 - 7276/4.7=3, ~10221=3...(5) Peak 9245 from cnoeabs.peaks (0.89, 1.22, 21.95 ppm; 3.77 A): 4 out of 5 assignments used, quality = 0.85: QG2 ILE 136 + QG2 THR 107 OK 49 99 - 49 - 9243/2.1=7, 3.2/3460=6...(16) QD1 ILE 101 + QG2 THR 107 OK 42 100 - 42 - 9243/2.1=6, 3.2/11043=6...(16) QG2 ILE 101 + QG2 THR 107 OK 39 99 - 40 - 2.1/11043=7, 9243/2.1=6...(14) QD1 LEU 97 + QG2 THR 107 OK 15 96 - 15 - 3.2/9252=2, 9243/2.1=2...(5) QG2 VAL 80 - QG2 THR 107 lone 9 94 - 9 - 8755/9247=2, 9243/2.1=2 Peak 9246 from cnoeabs.peaks (0.74, 1.22, 21.95 ppm; 4.01 A): 5 out of 5 assignments used, quality = 0.93: QD1 LEU 108 + QG2 THR 107 OK 73 100 - 73 - 3509/4.4=16, 9244/2.1=14...(15) QD1 ILE 136 + QG2 THR 107 OK 43 81 - 53 - 3.0/9245=10, 4.2/3460=6...(18) QD2 LEU 108 + QG2 THR 107 OK 42 62 - 68 - 2.1/9252=14, 4.8/3463=14...(15) QG2 VAL 73 + QG2 THR 107 OK 15 85 - 17 - 2.1/10221=4, 7276/4.4=3...(5) QD1 LEU 72 + QG2 THR 107 OK 12 77 - 15 - 7276/4.4=3, 9237/4.0=3 Peak 9247 from cnoeabs.peaks (0.61, 1.22, 21.95 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.48: QD2 LEU 64 + QG2 THR 107 OK 38 62 - 61 - ~10164=19, ~9242=14...(14) QD2 LEU 79 + QG2 THR 107 OK 16 100 - 16 - 3.1/9252=2, 11022/9251=2...(6) Peak 9248 from cnoeabs.peaks (1.60, 4.02, 68.28 ppm; 5.13 A): 5 out of 11 assignments used, quality = 0.94: HG LEU 108 + HB THR 107 OK 85 94 - 90 - ~9246=36, 2.1/9244=26...(15) HG3 LYS 48 + HB THR 107 OK 30 100 - 30 - 1183/4.7=9, 4.9/3458=7...(4) HB2 LEU 97 + HB THR 107 OK 24 98 - 25 - 9252/2.1=4, 3.2/9243=3...(10) HB2 LEU 79 + HB THR 107 OK 15 98 - 16 - ~9247=7, 9239/4.1=2...(4) HB2 LEU 87 + HB THR 107 OK 12 62 - 19 - 9252/2.1=3, 1.8/3457=2...(8) HG3 ARG 49 - HB THR 107 poor 9 68 - 13 - 3493/4.7=3, 9252/2.1=2...(4) HG2 ARG 144 - HB THR 107 lone 9 100 - 8 - 7274/4.7=1, 9252/2.1=1...(4) HG3 LYS 36 - HB THR 107 lone 7 94 - 8 - 9239/4.1=1 HG2 ARG 141 - HB THR 107 lone 7 96 - 7 - 9252/2.1=1 HD2 LYS 61 - HB THR 107 lone 5 94 - 6 - 9239/4.1=1 HD3 LYS 61 - HB THR 107 lone 5 94 - 5 - 9239/4.1=1 Peak 9249 from cnoeabs.peaks (1.99, 4.02, 68.28 ppm; 3.96 A): 5 out of 9 assignments used, quality = 0.90: QE MET 59 + HB THR 107 OK 57 100 - 57 - 10567/2.1=19, 10563=12...(13) HB2 GLN 111 + HB THR 107 OK 46 85 - 54 - ~9254=10, 9251/2.1=8...(11) HB VAL 63 + HB THR 107 OK 38 100 - 38 - 9251/2.1=7, 1793=7...(13) HB3 GLU 75 + HB THR 107 OK 18 81 - 22 - ~10221=5, ~10165=4...(6) QE MET 113 + HB THR 107 OK 17 98 - 17 - 9251/2.1=4, 9310/9236=2...(4) HB3 ARG 124 - HB THR 107 lone 5 72 - 8 - 3.9/7541=3, 9251/2.1=1 HB2 GLU 142 - HB THR 107 lone 5 100 - 5 - QE MET 11 - HB THR 107 lone 3 62 - 6 - HG3 PRO 52 - HB THR 107 lone 3 68 - 5 - 9251/2.1=1 Peak 9250 from cnoeabs.peaks (1.98, 3.71, 66.06 ppm; 6.17 A): 3 out of 7 assignments used, quality = 0.96: QE MET 59 + HA THR 107 OK 71 99 - 72 - 10567/3.2=24...(16) HB2 GLN 111 + HA THR 107 OK 66 77 - 85 - ~9254=19, ~9254=16...(16) HB VAL 63 + HA THR 107 OK 57 98 - 58 - 9249/3.0=10, 9251/3.2=9...(13) QE MET 113 - HA THR 107 OK 33 94 - 35 - 9333/9241=6, 9251/3.2=5...(12) HB3 GLU 75 - HA THR 107 OK 32 89 - 35 - ~10221=10, ~10165=7...(10) HB3 ARG 124 - HA THR 107 poor 9 81 - 11 - 9249/3.0=2, 9288/9241=2 HB2 GLU 142 - HA THR 107 lone 9 100 - 9 - 9251/3.2=1...(3) Peak 9251 from cnoeabs.peaks (1.98, 1.22, 21.95 ppm; 3.68 A): 5 out of 7 assignments used, quality = 0.88: QE MET 59 + QG2 THR 107 OK 60 98 - 62 - 10567=24, 10408/9246=13...(12) HB2 GLN 111 + QG2 THR 107 OK 37 72 - 51 - 3.0/9254=15...(9) HB VAL 63 + QG2 THR 107 OK 31 96 - 32 - 9249/2.1=6, 3.0/3461=4...(11) QE MET 113 + QG2 THR 107 OK 18 92 - 20 - 9329/9247=4, 9249/2.1=3...(8) HB3 GLU 75 + QG2 THR 107 OK 17 92 - 19 - 1.8/10221=6...(5) HB3 ARG 124 - QG2 THR 107 lone 5 85 - 6 - 9249/2.1=1 HB2 GLU 142 - QG2 THR 107 lone 5 100 - 4 - Peak 9252 from cnoeabs.peaks (1.60, 1.22, 21.95 ppm; 4.64 A): 3 out of 13 assignments used, quality = 0.95: HG LEU 108 + QG2 THR 107 OK 87 100 - 87 - 2.1/9246=46, 5.1/3463=17...(14) HB3 LEU 64 + QG2 THR 107 OK 44 81 - 54 - 3.1/10916=19, ~10164=12...(12) HG3 LYS 48 + QG2 THR 107 OK 27 99 - 27 - 1183/4.4=8, 4.9/3463=6...(6) HB2 LEU 97 - QG2 THR 107 OK 23 100 - 23 - 3.2/9245=4, 9248/2.1=4...(9) HB2 LEU 87 - QG2 THR 107 OK 15 85 - 18 - 9248/2.1=2, ~3457=1...(7) HB2 LEU 79 - QG2 THR 107 OK 14 85 - 16 - 3.1/9247=8, 9248/2.1=2...(4) HG3 ARG 49 - QG2 THR 107 OK 12 89 - 13 - 3493/4.4=3, 3498/9246=2...(4) HG2 ARG 144 - QG2 THR 107 lone 7 100 - 7 - 9248/2.1=1, 7274/4.4=1 HG2 ARG 141 - QG2 THR 107 lone 7 100 - 7 - 9248/2.1=1, 2.8/11630=1 HG3 ARG 144 - QG2 THR 107 lone 5 81 - 7 - 7274/4.4=1 HG3 LYS 36 - QG2 THR 107 lone 5 77 - 7 - 9248/2.1=1 HD2 LYS 61 - QG2 THR 107 lone 5 77 - 6 - HD3 LYS 61 - QG2 THR 107 lone 5 77 - 6 - Peak 9253 from cnoeabs.peaks (2.39, 1.22, 21.95 ppm; 4.69 A): 4 out of 8 assignments used, quality = 0.92: HG3 MET 59 + QG2 THR 107 OK 58 100 - 58 - 3.4/10567=19, 10575=9...(12) HG2 MET 59 + QG2 THR 107 OK 57 98 - 58 - 3.4/10567=19, 10575=9...(12) HB ILE 91 + QG2 THR 107 OK 44 100 - 44 - 3.0/3460=5, 2955/3.2=5...(20) HG3 GLU 37 + QG2 THR 107 OK 19 98 - 19 - 781/2.1=3, 9181/9245=2...(6) HG3 MET 11 - QG2 THR 107 lone 6 72 - 8 - 3.3/9251=2, 9181/9245=1 HG2 GLN 25 - QG2 THR 107 lone 5 100 - 5 - HG2 MET 46 - QG2 THR 107 lone 4 100 - 4 - HG3 GLN 25 - QG2 THR 107 lone 2 72 - 3 - Peak 9254 from cnoeabs.peaks (2.79, 1.22, 21.95 ppm; 5.53 A): 3 out of 6 assignments used, quality = 0.82: HG3 GLN 111 + QG2 THR 107 OK 74 94 - 79 - 3.5/11588=30...(12) HB3 ASN 84 + QG2 THR 107 OK 23 96 - 24 - 2561/2.1=5, ~2553=5...(7) HB3 TYR 119 + QG2 THR 107 OK 10 98 - 11 - 3641/10165=2, ~10311=1...(4) HB3 ASP 41 - QG2 THR 107 lone 4 77 - 6 - HB2 ASP 41 - QG2 THR 107 lone 4 62 - 6 - 7350/11588=1 HB2 ASN 128 - QG2 THR 107 lone 2 85 - 3 - Peak 9257 from cnoeabs.peaks (3.99, 0.73, 23.80 ppm; 4.21 A): 7 out of 8 assignments used, quality = 0.93: HA GLU 75 + QD2 LEU 108 OK 60 77 - 77 - 9258/2.1=23, 9257=22...(14) HA LEU 69 + QD2 LEU 108 OK 50 92 - 54 - 3.9/8477=25, 4.1/8473=15...(12) HA MET 113 + QD2 LEU 108 OK 25 89 - 29 - 9257=8, 9319/10174=4...(10) HA LYS 114 + QD2 LEU 108 OK 25 89 - 28 - 3.6/10175=8, 9257=7...(6) HB3 SER 127 + QD2 LEU 108 OK 16 100 - 16 - 9257=5, 9258/2.1=4...(4) HB2 SER 138 + QD2 LEU 108 OK 14 92 - 15 - 9257=4, 1.8/9257=3, 9957/2.1=1 HB3 SER 138 + QD2 LEU 108 OK 14 92 - 15 - 9257=4, 1.8/9257=3, 9957/2.1=1 HA GLU 122 - QD2 LEU 108 poor 9 89 - 10 - 9203/9196=1, 2005/8477=1 Peak 9258 from cnoeabs.peaks (3.98, 0.75, 26.39 ppm; 3.38 A): 1 out of 3 assignments used, quality = 0.55: HA GLU 75 + QD1 LEU 108 OK 55 100 - 55 - 9258=20, 9257/2.1=10...(10) HB3 SER 127 - QD1 LEU 108 lone 9 89 - 10 - 9257/2.1=3, 9957=2 HA3 GLY 143 - QD1 LEU 108 lone 4 96 - 4 - Peak 9259 from cnoeabs.peaks (4.24, 0.75, 26.39 ppm; 3.64 A): 3 out of 4 assignments used, quality = 0.60: HB THR 92 + QD1 LEU 108 OK 49 100 - 49 - 4.0/10553=14, 9259=11...(8) HA ARG 141 + QD1 LEU 108 OK 12 98 - 12 - 9259=3, 4772/2.1=1, 9204/10172=1 HA GLU 142 + QD1 LEU 108 OK 10 96 - 10 - 9259=3, 3.0/10232=2, ~10170=1 HB THR 102 - QD1 LEU 108 lone 7 85 - 8 - 9204/10172=3, 9259=2 Peak 9260 from cnoeabs.peaks (3.10, 0.75, 26.39 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.70: HA ALA 105 + QD1 LEU 108 OK 61 81 - 75 - 9263/2.1=23, 10166=21...(14) HD2 ARG 109 + QD1 LEU 108 OK 22 62 - 35 - 9263/2.1=9, 5.7/7290=7...(8) HB3 ASN 96 - QD1 LEU 108 poor 8 72 - 11 - 10122/9259=2, 9263/2.1=2...(4) HB3 HIS 10 - QD1 LEU 108 lone 3 100 - 3 - 9263/2.1=1 Peak 9263 from cnoeabs.peaks (3.10, 0.73, 23.80 ppm; 4.98 A): 2 out of 4 assignments used, quality = 0.82: HA ALA 105 + QD2 LEU 108 OK 73 81 - 89 - 9263=32, 9260/2.1=30...(15) HD2 ARG 109 + QD2 LEU 108 OK 33 62 - 54 - 5.7/7289=25, 9263=12...(9) HB3 ASN 96 - QD2 LEU 108 poor 10 72 - 14 - 9260/2.1=4, 10398/3.2=2...(5) HB3 HIS 10 - QD2 LEU 108 lone 5 100 - 5 - 9260/2.1=2 Peak 9265 from cnoeabs.peaks (2.38, 0.73, 23.80 ppm; 6.18 A): 3 out of 7 assignments used, quality = 0.99: HG2 MET 59 + QD2 LEU 108 OK 81 96 - 84 - 3.4/10408=27, ~10569=19...(18) HB ILE 91 + QD2 LEU 108 OK 79 85 - 92 - 2.1/8970=19, 9265=17...(32) HG3 MET 59 + QD2 LEU 108 OK 72 85 - 84 - 3.4/10408=27, ~10569=19...(18) HG2 GLN 25 - QD2 LEU 108 OK 30 85 - 35 - 1.8/9265=4, ~10935=4...(16) HG3 GLU 37 - QD2 LEU 108 OK 25 96 - 26 - 4.4/10226=8, 9202/9196=5...(7) HG3 MET 11 - QD2 LEU 108 OK 21 100 - 21 - 9202/9196=5, ~10598=4...(5) HG2 MET 46 - QD2 LEU 108 OK 20 81 - 25 - ~10700=3, ~10493=3...(9) Peak 9266 from cnoeabs.peaks (4.18, 0.73, 23.80 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.87: HA LEU 64 + QD2 LEU 108 OK 67 89 - 75 - 9266=24, 9878/2.1=12...(25) HA TRP 88 + QD2 LEU 108 OK 53 85 - 62 - 3.0/10069=19...(14) HG1 THR 74 + QD2 LEU 108 OK 19 85 - 22 - 2.8/3502=5, ~3510=3...(8) HA PHE 38 - QD2 LEU 108 poor 8 81 - 10 - 9266=3, 8931/8810=1 HA PHE 67 - QD2 LEU 108 poor 8 68 - 12 - ~8408=3, 8412/8477=2...(5) HA CYS 121 - QD2 LEU 108 lone 6 96 - 6 - 9266=2, 8826/8810=1, 4.9/9257=1 Peak 9267 from cnoeabs.peaks (6.84, 3.61, 60.23 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.70: HZ2 TRP 88 + HA ARG 109 OK 59 68 - 87 - 2.5/9268=34, 9269/2.9=19...(19) HD22 ASN 54 + HA ARG 109 OK 26 100 - 26 - 4.3/10435=13, 9269/2.9=7...(5) Peak 9268 from cnoeabs.peaks (6.42, 3.61, 60.23 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.69: HH2 TRP 88 + HA ARG 109 OK 69 92 - 75 - 2.5/9267=25...(13) Peak 9271 from cnoeabs.peaks (0.77, 3.61, 60.23 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.61: QD1 LEU 79 + HA ARG 109 OK 44 89 - 50 - 2.1/8728=10, 9934/2.9=6...(19) QG2 THR 74 + HA ARG 109 OK 19 81 - 23 - 3.2/3528=4, ~7285=3...(7) QD2 LEU 95 + HA ARG 109 OK 15 98 - 15 - 8943/9267=2, 8944/9268=2...(4) QD2 LEU 72 - HA ARG 109 poor 9 81 - 11 - ~7290=3, 9275/5.2=2, 8546/3.6=1 QD1 LEU 72 - HA ARG 109 lone 5 62 - 8 - ~7290=2, 3470/4.9=1, 8545/3.6=1 Peak 9272 from cnoeabs.peaks (0.65, 3.61, 60.23 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.59: QD2 LEU 66 + HA ARG 109 OK 45 68 - 67 - 2.1/3520=11, 9274/5.2=9...(22) QD2 LEU 39 + HA ARG 109 OK 25 72 - 35 - 11496/3.9=5, 3.2/3519=5...(13) Peak 9273 from cnoeabs.peaks (0.66, 1.38, 29.64 ppm; 5.45 A): 3 out of 4 assignments used, quality = 0.98: QD2 LEU 66 + HB2 ARG 109 OK 89 100 - 89 - 9272/3.0=16, 9274/3.6=15...(34) QD1 ILE 83 + HB2 ARG 109 OK 61 89 - 69 - 10030/3.6=28...(16) QD2 LEU 39 + HB2 ARG 109 OK 59 100 - 59 - 11496/2.8=11, 9272/3.0=9...(22) HB3 LEU 116 - HB2 ARG 109 OK 23 72 - 32 - ~10176=5, ~11089=4...(11) Peak 9274 from cnoeabs.peaks (0.67, 3.30, 43.65 ppm; 4.06 A): 4 out of 4 assignments used, quality = 0.94: QD1 ILE 83 + HD3 ARG 109 OK 74 100 - 74 - 10030=37, 3.1/11060=17...(12) QD2 LEU 66 + HD3 ARG 109 OK 60 96 - 63 - 9274=13, 2.1/3579=8...(20) QD2 LEU 39 + HD3 ARG 109 OK 22 94 - 24 - 11496/3.0=7, 864/3.6=3...(6) HB3 LEU 116 + HD3 ARG 109 OK 22 99 - 22 - 9273/3.6=8, 9274=4...(7) Peak 9275 from cnoeabs.peaks (0.76, 3.30, 43.65 ppm; 4.19 A): 5 out of 5 assignments used, quality = 0.87: QD1 ILE 136 + HD3 ARG 109 OK 54 100 - 55 - 9668=21, 3.0/10333=12...(11) QG2 VAL 73 + HD3 ARG 109 OK 35 100 - 35 - ~8570=9, ~8570=8...(7) QD1 LEU 108 + HD3 ARG 109 OK 29 77 - 37 - ~9263=6, 9271/5.2=6...(10) QD2 LEU 72 + HD3 ARG 109 OK 23 100 - 23 - 9275=9, ~10166=2...(4) QD1 LEU 72 + HD3 ARG 109 OK 23 100 - 23 - 2.1/9275=7, 10166/1.8=3...(5) Peak 9276 from cnoeabs.peaks (3.94, 3.61, 60.23 ppm; 5.58 A): 5 out of 7 assignments used, quality = 0.75: HA LYS 86 + HA ARG 109 OK 31 85 - 36 - 3539/3.0=7, 10745/3.9=6...(10) HA2 GLY 143 + HA ARG 109 OK 24 89 - 27 - 10745/3.9=8, 11637/3.0=6...(8) HA LYS 48 + HA ARG 109 OK 24 81 - 29 - ~7284=9, 7281/2.9=5...(8) HA3 GLY 94 + HA ARG 109 OK 23 68 - 34 - 3.0/3525=6, 3539/3.0=5...(10) HA ALA 60 + HA ARG 109 OK 19 68 - 28 - 3.6/6564=9, 3539/3.0=4...(8) HD3 PRO 129 - HA ARG 109 lone 10 100 - 10 - 10745/3.9=3, 3539/3.0=2...(4) HA LEU 29 - HA ARG 109 lone 6 100 - 6 - 10745/3.9=2 Peak 9277 from cnoeabs.peaks (7.36, 3.81, 66.23 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.61: H ARG 109 + HA THR 110 OK 39 77 - 51 - 7305/3.0=24, 7299/3.6=20...(6) QD PHE 43 + HA THR 110 OK 35 96 - 37 - 4816/3.2=8, 7305/3.0=8...(9) H GLY 77 - HA THR 110 lone 2 99 - 2 - Peak 9278 from cnoeabs.peaks (7.29, 1.03, 21.21 ppm; 3.42 A): 0 out of 3 assignments used, low quality = 0.00: H PHE 67 - QG2 THR 110 lone 9 98 - 10 - 3.6/3600=4, 6647/3.2=3 QE PHE 106 - QG2 THR 110 lone 3 99 - 3 - 4833=3 HZ2 TRP 17 - QG2 THR 110 lone 1 100 - 1 - Peak 9279 from cnoeabs.peaks (1.57, 3.81, 66.23 ppm; 4.88 A): 5 out of 9 assignments used, quality = 0.93: HG3 ARG 109 + HA THR 110 OK 55 98 - 57 - 4.3/9277=13, 7310/3.0=13...(7) HB2 LEU 66 + HA THR 110 OK 46 100 - 46 - ~10452=7, 7310/3.0=7...(15) HG2 ARG 109 + HA THR 110 OK 45 81 - 55 - 4.3/9277=13, ~7308=12...(8) HG2 ARG 145 + HA THR 110 OK 27 98 - 28 - 3.0/10742=5, 3521/4.9=5...(9) HG3 ARG 145 + HA THR 110 OK 26 94 - 28 - 3.0/10742=5, 3.0/10742=5...(9) HG3 ARG 124 - HA THR 110 OK 21 100 - 21 - ~9289=6, 7310/3.0=3...(7) HD3 LYS 85 - HA THR 110 OK 13 100 - 13 - 7310/3.0=3, 3522/4.9=2...(5) HD2 LYS 85 - HA THR 110 OK 12 94 - 13 - 7309/3.0=2, 3521/4.9=2...(6) HB2 LEU 126 - HA THR 110 lone 8 98 - 8 - 4279/9842=1, 9336/9337=1...(4) Peak 9280 from cnoeabs.peaks (2.00, 3.81, 66.23 ppm; 4.32 A): 3 out of 10 assignments used, quality = 0.96: QE MET 113 + HA THR 110 OK 70 92 - 76 - 9337=33, 4.2/3592=18...(12) HG3 PRO 52 + HA THR 110 OK 66 100 - 66 - 2.3/8231=13...(18) HB2 GLN 111 + HA THR 110 OK 62 100 - 63 - 4.6/7356=11, 9288/3.2=10...(18) HB3 GLU 90 - HA THR 110 OK 21 98 - 21 - 3.0/3592=5, 2928/3592=4...(8) QE MET 11 - HA THR 110 OK 15 100 - 15 - 42/5.0=4, 7328/3.6=2...(5) HB VAL 63 - HA THR 110 OK 12 85 - 14 - 7328/3.6=2, ~8367=2...(4) HG3 GLU 122 - HA THR 110 lone 8 99 - 8 - 1329/8231=1 QE MET 59 - HA THR 110 lone 8 81 - 9 - 7328/3.6=1...(3) HB3 GLU 37 - HA THR 110 lone 2 85 - 2 - HB2 GLU 37 - HA THR 110 lone 1 72 - 1 - Peak 9281 from cnoeabs.peaks (2.76, 3.81, 66.23 ppm; 5.17 A): 5 out of 7 assignments used, quality = 0.92: HE2 LYS 114 + HA THR 110 OK 61 96 - 64 - 9287/3.2=17, ~10638=17...(14) HG3 GLN 111 + HA THR 110 OK 41 62 - 66 - ~9284=16, 3.9/9292=12...(15) HE3 LYS 76 + HA THR 110 OK 37 100 - 37 - 9287/3.2=9, ~9287=6...(11) HE2 LYS 76 + HA THR 110 OK 36 94 - 38 - 9287/3.2=8, ~9287=7...(12) HB2 ASP 41 + HA THR 110 OK 17 94 - 18 - 7331/3.6=3, 9287/3.2=3...(7) HB3 ASP 40 - HA THR 110 lone 5 81 - 7 - 9287/3.2=1 HB2 ASN 54 - HA THR 110 lone 2 62 - 4 - Peak 9283 from cnoeabs.peaks (2.76, 4.11, 68.41 ppm; 6.07 A): 4 out of 8 assignments used, quality = 0.96: HE2 LYS 114 + HB THR 110 OK 73 94 - 77 - ~10638=28, 9287/2.1=20...(11) HG3 GLN 111 + HB THR 110 OK 58 68 - 86 - 4.7/3598=33, 1.8/9284=31...(15) HE3 LYS 76 + HB THR 110 OK 46 99 - 46 - 9287/2.1=11, 9281/3.0=10...(8) HE2 LYS 76 + HB THR 110 OK 42 92 - 46 - 9287/2.1=10, ~9287=10...(8) HB2 ASP 41 - HB THR 110 OK 16 96 - 16 - 9281/3.0=4, 7331/4.6=4...(4) HB3 ASN 84 - HB THR 110 poor 6 62 - 10 - 7331/4.6=3, 9254/9286=2...(4) HB3 ASP 40 - HB THR 110 lone 4 77 - 6 - 9287/2.1=2, 9281/3.0=1 HB2 ASN 54 - HB THR 110 lone 2 57 - 3 - Peak 9284 from cnoeabs.peaks (2.12, 4.11, 68.41 ppm; 5.14 A): 2 out of 4 assignments used, quality = 0.80: HG2 GLN 111 + HB THR 110 OK 72 96 - 74 - 4.7/3598=25, 1.8/9283=17...(14) HB2 GLU 75 + HB THR 110 OK 30 100 - 30 - ~9291=6, ~9291=5...(9) HB VAL 73 - HB THR 110 lone 9 99 - 9 - 7330/4.6=3, 10221/9286=1...(4) HG3 PRO 118 - HB THR 110 lone 4 68 - 5 - 7330/4.6=2 Peak 9285 from cnoeabs.peaks (1.99, 4.11, 68.41 ppm; 5.32 A): 3 out of 10 assignments used, quality = 0.96: HB2 GLN 111 + HB THR 110 OK 79 92 - 86 - 3.9/3598=31, 3.0/9284=23...(20) QE MET 113 + HB THR 110 OK 59 100 - 60 - 9337/3.0=37, 9333/2.1=18...(7) HG3 PRO 52 + HB THR 110 OK 57 77 - 74 - ~8231=10, 9288/2.1=10...(17) QE MET 59 - HB THR 110 OK 25 100 - 25 - 10567/9286=8, 9288/2.1=4...(7) HB3 GLU 75 - HB THR 110 OK 25 72 - 34 - 1.8/9284=11, ~9291=6...(8) HB VAL 63 - HB THR 110 OK 16 100 - 16 - 9251/9286=3, 7328/4.6=2...(5) HB3 ARG 124 - HB THR 110 OK 14 62 - 22 - ~9289=7, ~9293=4...(6) HB2 GLU 142 - HB THR 110 OK 11 98 - 11 - 9288/2.1=2, ~10507=1...(5) QE MET 11 - HB THR 110 poor 9 72 - 12 - 7328/4.6=2, 9288/2.1=2...(4) HG3 GLU 122 - HB THR 110 lone 5 62 - 9 - ~10451=1 Peak 9286 from cnoeabs.peaks (1.20, 4.11, 68.41 ppm; 4.57 A): 0 out of 2 assignments used, low quality = 0.23: HG13 ILE 56 - HB THR 110 OK 12 100 - 12 - 10239/4.1=4, 3.0/9285=4, ~9288=1 HG12 ILE 56 - HB THR 110 OK 12 100 - 12 - 10239/4.1=4, 3.0/9285=4, ~9288=1 Peak 9287 from cnoeabs.peaks (2.76, 1.03, 21.21 ppm; 4.19 A): 5 out of 7 assignments used, quality = 0.90: HE2 LYS 114 + QG2 THR 110 OK 55 96 - 58 - 3.0/10638=24...(12) HG3 GLN 111 + QG2 THR 110 OK 49 62 - 79 - 3.5/9294=27...(19) HE3 LYS 76 + QG2 THR 110 OK 31 100 - 32 - 3.9/10451=5, 9281/3.2=5...(12) HE2 LYS 76 + QG2 THR 110 OK 29 94 - 31 - 3.9/10451=5, 9281/3.2=5...(12) HB2 ASP 41 + QG2 THR 110 OK 10 94 - 11 - 9281/3.2=2, 7331/4.4=2...(5) HB3 ASP 40 - QG2 THR 110 lone 5 81 - 6 - 3806/10638=2 HB2 ASN 54 - QG2 THR 110 lone 1 62 - 2 - Peak 9288 from cnoeabs.peaks (1.98, 1.03, 21.21 ppm; 4.18 A): 5 out of 7 assignments used, quality = 0.85: HB2 GLN 111 + QG2 THR 110 OK 52 68 - 77 - 3.9/3603=23, 4.6/9294=21...(18) QE MET 113 + QG2 THR 110 OK 47 89 - 53 - 9337/3.2=24, 4.2/9291=12...(8) HB3 GLU 75 + QG2 THR 110 OK 21 94 - 22 - 3.0/9291=6, ~9284=5...(6) QE MET 59 + QG2 THR 110 OK 16 96 - 17 - 10403/10177=8...(4) HB3 ARG 124 + QG2 THR 110 OK 15 89 - 17 - 3.0/9289=7, 3.0/9293=4...(5) HB2 GLU 142 - QG2 THR 110 lone 9 100 - 8 - HB VAL 63 - QG2 THR 110 lone 8 94 - 8 - 9280/3.2=2, 9250/9241=1...(4) Peak 9289 from cnoeabs.peaks (1.67, 1.03, 21.21 ppm; 4.60 A): 0 out of 11 assignments used, low quality = 0.33: HD2 LYS 93 - QG2 THR 110 OK 20 94 - 21 - 3.0/10451=9, 3.0/9290=8...(4) HG2 ARG 124 - QG2 THR 110 OK 16 92 - 18 - 3.8/9293=4, 3.0/9288=3...(6) HB2 ARG 145 - QG2 THR 110 lone 6 100 - 6 - ~10742=2, ~9279=2, ~9279=1 HD3 LYS 48 - QG2 THR 110 lone 4 100 - 4 - HD2 LYS 48 - QG2 THR 110 lone 4 98 - 4 - HB2 LEU 95 - QG2 THR 110 lone 4 98 - 4 - 3.0/10452=2 HB VAL 71 - QG2 THR 110 lone 4 98 - 4 - HG2 ARG 89 - QG2 THR 110 lone 2 98 - 2 - HB2 MET 68 - QG2 THR 110 lone 1 89 - 1 - HG LEU 97 - QG2 THR 110 lone 1 72 - 1 - HG3 ARG 141 - QG2 THR 110 lone 1 77 - 1 - Peak 9290 from cnoeabs.peaks (1.41, 1.03, 21.21 ppm; 3.89 A): 4 out of 6 assignments used, quality = 0.88: HD2 LYS 114 + QG2 THR 110 OK 61 100 - 61 - 1.8/10638=26...(17) HG LEU 116 + QG2 THR 110 OK 52 99 - 53 - 3880=11, 2.1/3896=10...(13) HG3 LYS 93 + QG2 THR 110 OK 25 92 - 27 - 1.8/10451=8, 3.0/9289=7...(5) HB2 ARG 35 + QG2 THR 110 OK 11 100 - 11 - 1.8/10452=2, 3804/10638=1 HG2 LYS 24 - QG2 THR 110 lone 8 98 - 9 - 3804/10638=1 HG2 LYS 36 - QG2 THR 110 lone 5 98 - 5 - Peak 9291 from cnoeabs.peaks (2.20, 1.03, 21.21 ppm; 4.18 A): 4 out of 5 assignments used, quality = 0.67: HB2 MET 113 + QG2 THR 110 OK 49 85 - 57 - 3591/3.2=15, ~3592=14...(7) HG2 GLU 75 + QG2 THR 110 OK 16 94 - 17 - ~9284=4, 3.0/9288=4...(5) HB2 GLU 28 + QG2 THR 110 OK 13 68 - 20 - 9284/2.1=13, ~9284=6 HB2 MET 46 + QG2 THR 110 OK 13 85 - 15 - 4.0/3603=4, 3591/3.2=3...(5) HB3 PRO 12 - QG2 THR 110 lone 4 77 - 5 - 1.8/10452=2 Peak 9292 from cnoeabs.peaks (4.64, 3.81, 66.23 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: HG1 THR 110 + HA THR 110 OK 100 100 - 100 - 4.0=100 HA GLN 111 + HA THR 110 OK 98 100 - 98 - 5.0=93, ~3603=17...(18) HA ASP 32 - HA THR 110 OK 23 100 - 22 - 9293/3.2=9, 425/3.0=3...(5) HA LEU 87 - HA THR 110 OK 22 100 - 22 - 9293/3.2=10, ~10241=5...(4) HA ASN 139 - HA THR 110 OK 15 92 - 16 - 9293/3.2=8, 7327/3.6=3 Peak 9293 from cnoeabs.peaks (4.64, 1.03, 21.21 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: HG1 THR 110 + QG2 THR 110 OK 100 100 - 100 - 3.0=100 HA GLN 111 + QG2 THR 110 OK 76 100 - 76 - 2.9/3603=24, 5.0/3600=17...(20) HA ASP 32 - QG2 THR 110 OK 15 100 - 15 - 425/2.1=3, 3.8/3601=2...(7) HA LEU 87 - QG2 THR 110 OK 14 100 - 14 - 3.0/10241=4, 7327/4.4=2...(4) HA ASN 139 - QG2 THR 110 OK 10 92 - 11 - 7327/4.4=2, 9340/10638=2...(4) Peak 9294 from cnoeabs.peaks (6.65, 1.03, 21.21 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.50: HE22 GLN 111 + QG2 THR 110 OK 50 96 - 52 - 1.7/10242=32, 6.8/3603=9...(6) HD21 ASN 84 - QG2 THR 110 lone 1 81 - 1 - Peak 9300 from cnoeabs.peaks (1.40, 3.91, 62.06 ppm; 4.46 A): 2 out of 7 assignments used, quality = 0.89: HG LEU 116 + HA TYR 112 OK 81 100 - 81 - 2.1/10223=36...(15) HD2 LYS 114 + HA TYR 112 OK 42 99 - 42 - 9300=28, 5.9/7395=5...(6) HB2 ARG 35 - HA TYR 112 lone 9 100 - 9 - 3890/10223=2...(3) HG3 LYS 93 - HA TYR 112 poor 8 81 - 10 - 9300=3, 3890/10223=1...(4) HG2 LYS 36 - HA TYR 112 lone 7 92 - 8 - 3890/10223=2...(3) HG2 LYS 24 - HA TYR 112 lone 7 92 - 8 - 10906/9300=2...(3) HG2 LYS 86 - HA TYR 112 lone 4 72 - 5 - Peak 9301 from cnoeabs.peaks (1.00, 3.91, 62.06 ppm; 3.29 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 116 + HA TYR 112 OK 69 99 - 70 - 2.1/10223=21...(20) QD2 LEU 69 + HA TYR 112 OK 50 98 - 51 - 8459/3.7=12, 9878/2.9=11...(13) QD1 LEU 116 + HA TYR 112 OK 36 62 - 58 - 9301=14, 4.6/10245=13...(17) HG12 ILE 136 + HA TYR 112 OK 18 68 - 27 - 9301=9, 2.1/9302=4...(8) Peak 9302 from cnoeabs.peaks (0.76, 3.91, 62.06 ppm; 5.07 A): 5 out of 5 assignments used, quality = 0.92: QG2 VAL 73 + HA TYR 112 OK 64 98 - 66 - 8553/3.7=37, ~8569=13...(12) QD1 ILE 136 + HA TYR 112 OK 52 99 - 52 - 2.1/9301=15, ~9304=9...(12) QD2 LEU 72 + HA TYR 112 OK 27 100 - 27 - 9307/3.7=5, 10183/2.9=5...(10) QD1 LEU 72 + HA TYR 112 OK 25 100 - 25 - 9307/3.7=4, ~10183=3...(9) QD1 LEU 108 + HA TYR 112 OK 17 68 - 25 - ~9296=12, 2.1/9302=4...(6) Peak 9303 from cnoeabs.peaks (0.65, 3.91, 62.06 ppm; 4.40 A): 0 out of 2 assignments used, low quality = 0.31: QD1 LEU 126 - HA TYR 112 OK 31 62 - 50 - 9303=24, 9299/2.9=19...(9) QD2 LEU 39 - HA TYR 112 lone 4 62 - 7 - 863/9301=2, ~9305=1 Peak 9304 from cnoeabs.peaks (1.00, 3.25, 38.88 ppm; 5.02 A): 3 out of 4 assignments used, quality = 1.00: QD2 LEU 116 + HB2 TYR 112 OK 95 99 - 96 - ~10223=25, ~9301=21...(21) QD2 LEU 69 + HB2 TYR 112 OK 84 98 - 86 - 8459/2.7=30, ~8457=25...(12) QD1 LEU 116 + HB2 TYR 112 OK 52 62 - 83 - 10223/2.9=17, ~9402=14...(17) HG12 ILE 136 - HB2 TYR 112 OK 28 68 - 42 - 9301/2.9=11, ~9302=6...(10) Peak 9305 from cnoeabs.peaks (0.98, 3.41, 38.88 ppm; 5.62 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 116 + HB3 TYR 112 OK 92 96 - 96 - 10223/2.9=38...(20) HG12 ILE 136 + HB3 TYR 112 OK 54 94 - 57 - 9304/1.8=15, 4711/2.7=14...(10) HB2 LEU 39 - HB3 TYR 112 lone 8 100 - 8 - ~9303=3, 4711/2.7=2 Peak 9306 from cnoeabs.peaks (0.99, 6.93, 133.83 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.93: QD1 LEU 116 + QD TYR 112 OK 87 100 - 87 - 10223/3.7=30...(21) HG12 ILE 136 + QD TYR 112 OK 47 100 - 47 - 9304/2.7=12, 9301/3.7=11...(11) HB2 LEU 39 - QD TYR 112 lone 7 92 - 7 - 9305/2.7=3, 7454/9405=1 Peak 9307 from cnoeabs.peaks (0.76, 6.93, 133.83 ppm; 5.54 A): 3 out of 5 assignments used, quality = 0.96: QG2 VAL 73 + QD TYR 112 OK 83 92 - 90 - 2.1/8551=48, 8553=42...(20) QD1 ILE 136 + QD TYR 112 OK 54 94 - 57 - 2.1/9306=15, ~9304=11...(13) QD2 LEU 72 + QD TYR 112 OK 42 100 - 42 - 9948/8551=7, 10183/2.7=6...(17) QD1 LEU 72 - QD TYR 112 OK 36 96 - 37 - 2177/8551=5, 2151/8457=5...(17) QD2 LEU 95 - QD TYR 112 OK 12 68 - 17 - 10183/2.7=3, 10244/2.7=2...(9) Peak 9308 from cnoeabs.peaks (0.62, 6.93, 133.83 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 79 + QD TYR 112 OK 95 100 - 95 - 8717=39, 11559/2.2=36...(22) QD2 LEU 64 + QD TYR 112 OK 46 72 - 63 - 2.1/4710=32, 9303/3.7=9...(13) Peak 9309 from cnoeabs.peaks (6.92, 4.00, 60.14 ppm; 5.80 A): 2 out of 3 assignments used, quality = 0.83: QD TYR 112 + HA MET 113 OK 77 98 - 78 - 7381/3.0=34, ~7380=22...(13) QD PHE 23 + HA MET 113 OK 27 68 - 40 - 7381/3.0=12...(7) H LEU 29 - HA MET 113 poor 8 68 - 12 - 9405/11700=4...(3) Peak 9310 from cnoeabs.peaks (7.14, 1.99, 15.64 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.57: QD TYR 117 + QE MET 113 OK 51 98 - 52 - 2.2/10189=35...(8) QD PHE 106 + QE MET 113 OK 13 100 - 13 - 5670/10189=4...(3) Peak 9318 from cnoeabs.peaks (0.78, 4.00, 60.14 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.95: QD1 LEU 79 + HA MET 113 OK 88 96 - 91 - 2.1/9319=39, ~9323=36...(17) QG2 THR 74 + HA MET 113 OK 44 92 - 48 - 4.3/11700=14...(11) QD2 LEU 95 + HA MET 113 OK 30 100 - 30 - 10255/3.7=6, 9316/3.0=6...(10) QD2 LEU 72 - HA MET 113 OK 25 68 - 37 - 9331/5.4=5, 5.0/6736=4...(13) QD2 LEU 126 - HA MET 113 OK 19 62 - 31 - ~9317=10, 9316/3.0=8...(7) Peak 9319 from cnoeabs.peaks (0.62, 4.00, 60.14 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 79 + HA MET 113 OK 88 100 - 88 - 9327/3.7=32, 9323/3.0=29...(21) QD2 LEU 64 + HA MET 113 OK 24 72 - 33 - 9317/3.0=9, 9323/3.0=5...(7) Peak 9320 from cnoeabs.peaks (0.42, 4.00, 60.14 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.69: QG2 VAL 82 + HA MET 113 OK 69 100 - 69 - 10254/3.0=38...(17) Peak 9321 from cnoeabs.peaks (0.60, 2.19, 33.22 ppm; 5.88 A): 2 out of 2 assignments used, quality = 0.69: QD1 LEU 132 + HB2 MET 113 OK 62 62 - 100 - 9329/4.2=37, 9319/3.0=34...(21) QD1 ILE 56 + HB2 MET 113 OK 19 98 - 19 - 9329/4.2=10, 8623/6797=3...(4) Peak 9322 from cnoeabs.peaks (0.41, 2.19, 33.22 ppm; 6.33 A): 2 out of 2 assignments used, quality = 0.86: QD2 LEU 132 + HB2 MET 113 OK 71 72 - 98 - 9324/1.8=37, 9325/3.0=35...(16) QG2 VAL 82 + HB2 MET 113 OK 52 81 - 64 - 10254/4.1=26...(7) Peak 9323 from cnoeabs.peaks (0.62, 2.27, 33.22 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.83: QD2 LEU 79 + HB3 MET 113 OK 79 100 - 80 - 9327/3.0=33, 9326/3.0=29...(17) QD2 LEU 64 + HB3 MET 113 OK 15 72 - 21 - 9317/4.1=6, 9319/3.0=6...(4) Peak 9324 from cnoeabs.peaks (0.41, 2.27, 33.22 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.76: QD2 LEU 132 + HB3 MET 113 OK 60 68 - 89 - 9325/3.0=25, 9328/3.0=24...(15) QG2 VAL 82 + HB3 MET 113 OK 41 85 - 48 - 10254/4.1=13, 10008=12...(6) Peak 9325 from cnoeabs.peaks (0.41, 2.25, 32.48 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.88: QD2 LEU 132 + HG2 MET 113 OK 83 89 - 94 - 9330/3.3=30, 9328/1.8=26...(21) QG2 VAL 82 + HG2 MET 113 OK 22 62 - 35 - 9324/3.0=10, 9328/1.8=7...(7) HG3 LYS 123 + HG2 MET 113 OK 11 62 - 17 - 9330/3.3=5, 9328/1.8=4...(6) Peak 9326 from cnoeabs.peaks (0.62, 2.25, 32.48 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 79 + HG2 MET 113 OK 85 100 - 85 - 9327/1.8=38, 8734=34...(17) QD2 LEU 64 + HG2 MET 113 OK 13 72 - 18 - 9319/3.7=4, 9323/3.0=4...(4) Peak 9327 from cnoeabs.peaks (0.61, 2.75, 32.48 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.69: QD2 LEU 79 + HG3 MET 113 OK 69 96 - 72 - 9326/1.8=28, 9323/3.0=19...(16) Peak 9328 from cnoeabs.peaks (0.41, 2.75, 32.48 ppm; 4.14 A): 3 out of 3 assignments used, quality = 0.89: QD2 LEU 132 + HG3 MET 113 OK 83 89 - 94 - 9330/3.3=30, 9325/1.8=28...(23) QG2 VAL 82 + HG3 MET 113 OK 23 62 - 37 - 9324/3.0=10, 9325/1.8=7...(7) HG3 LYS 123 + HG3 MET 113 OK 12 62 - 19 - 9330/3.3=5, 9325/1.8=4...(6) Peak 9329 from cnoeabs.peaks (0.60, 1.99, 15.64 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.56: QD1 LEU 132 + QE MET 113 OK 49 62 - 78 - 2.1/9330=32, 2.1/9334=16...(19) QD1 ILE 56 + QE MET 113 OK 13 98 - 14 - 3.1/9332=4, 9683/9332=2...(5) Peak 9330 from cnoeabs.peaks (0.40, 1.99, 15.64 ppm; 2.58 A): 2 out of 2 assignments used, quality = 0.69: QD2 LEU 132 + QE MET 113 OK 64 100 - 65 - 2.1/9329=18, 9577=14...(16) HG3 LYS 123 + QE MET 113 OK 12 92 - 13 - 1.8/9466=2, 4515/9329=2 Peak 9331 from cnoeabs.peaks (0.77, 1.99, 15.64 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.45: QD1 ILE 136 + QE MET 113 OK 26 85 - 30 - 10466=10, 3.0/9332=6...(7) QD1 LEU 79 + QE MET 113 OK 18 62 - 29 - ~9327=5, 3.1/9336=5...(12) QD2 LEU 72 + QE MET 113 OK 10 98 - 10 - 9947/9329=3, 8543/3.3=1 QD1 LEU 72 - QE MET 113 lone 8 89 - 9 - QG2 VAL 73 - QE MET 113 lone 7 81 - 8 - 8553/10248=1...(3) QD2 LEU 95 - QE MET 113 lone 3 81 - 3 - Peak 9332 from cnoeabs.peaks (0.88, 1.99, 15.64 ppm; 3.29 A): 5 out of 5 assignments used, quality = 0.79: QG2 ILE 136 + QE MET 113 OK 52 100 - 52 - 10661=16, 3.0/9331=14...(16) QG2 VAL 80 + QE MET 113 OK 30 89 - 34 - 8756/9330=8...(11) QD1 LEU 97 + QE MET 113 OK 16 99 - 16 - 2.1/10130=3, 3.2/9335=2...(4) QD1 ILE 101 + QE MET 113 OK 15 100 - 15 - 10542/6.2=2, 10131/4.2=1...(4) QG2 ILE 101 + QE MET 113 OK 12 100 - 12 - 4638/9331=2, 9901/11045=1 Peak 9333 from cnoeabs.peaks (1.01, 1.99, 15.64 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.58: QD2 LEU 116 + QE MET 113 OK 39 99 - 40 - 3.2/10662=18...(12) QD2 LEU 69 + QE MET 113 OK 31 100 - 31 - 9315/6.2=3, 3.2/9334=3...(13) Peak 9334 from cnoeabs.peaks (1.37, 1.99, 15.64 ppm; 3.65 A): 5 out of 5 assignments used, quality = 0.88: HG LEU 132 + QE MET 113 OK 78 89 - 87 - 2.1/9330=40, 2.1/9329=32...(19) HB3 LEU 39 + QE MET 113 OK 16 92 - 17 - 3.2/11045=6, 4506/9330=2...(7) HB2 LEU 69 + QE MET 113 OK 16 62 - 26 - 3.2/9333=12, 3.0/3723=4...(5) HB2 ARG 109 + QE MET 113 OK 15 77 - 20 - 3.6/9338=6, 2.8/9336=6...(5) HB VAL 82 + QE MET 113 OK 13 100 - 13 - ~9328=2, ~9325=2...(4) Peak 9335 from cnoeabs.peaks (1.26, 1.99, 15.64 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.98: HB2 LEU 132 + QE MET 113 OK 97 98 - 99 - 3.2/9330=44, 3.2/9329=39...(22) HG3 LYS 61 + QE MET 113 OK 46 100 - 46 - 4.9/10251=37...(4) HG2 LYS 61 - QE MET 113 OK 40 89 - 45 - 4.9/10251=37...(4) QG2 THR 99 - QE MET 113 OK 35 100 - 36 - 9153=10, 10159/5.4=3...(10) HB3 LEU 97 - QE MET 113 OK 26 100 - 26 - 3.2/9332=6, 3.1/10107=5...(8) QG2 THR 102 - QE MET 113 lone 6 77 - 7 - Peak 9336 from cnoeabs.peaks (1.56, 1.99, 15.64 ppm; 4.14 A): 6 out of 9 assignments used, quality = 0.84: HB2 LEU 66 + QE MET 113 OK 53 92 - 57 - 3.1/11045=30...(11) HB3 LEU 79 + QE MET 113 OK 40 72 - 56 - ~9327=12, 3.1/9331=11...(14) HG2 ARG 109 + QE MET 113 OK 20 100 - 20 - 3.0/9338=8, 2.8/9334=4...(6) HG3 ARG 145 + QE MET 113 OK 12 99 - 12 - 3.0/9338=5, 3.0/9338=4 HB2 LEU 126 + QE MET 113 OK 12 96 - 12 - 3.0/10251=3...(3) HG2 ARG 145 + QE MET 113 OK 12 96 - 12 - 3.0/9338=5, 3.0/9338=4 HD2 LYS 85 - QE MET 113 poor 10 99 - 10 - 10050/3.3=2, ~8864=2, ~10050=1 HD3 LYS 85 - QE MET 113 lone 7 77 - 9 - ~8864=2, ~10050=2, 10050/3.3=2 HG3 ARG 124 - QE MET 113 lone 6 68 - 9 - Peak 9337 from cnoeabs.peaks (3.82, 1.99, 15.64 ppm; 3.39 A): 6 out of 6 assignments used, quality = 0.82: HA LEU 66 + QE MET 113 OK 45 100 - 45 - 4.0/11045=16, 4.0/9329=7...(14) HA THR 110 + QE MET 113 OK 40 85 - 47 - 3.2/9333=10, 3592/4.2=9...(10) HD2 PRO 118 + QE MET 113 OK 17 96 - 18 - 4.6/9310=11 HA GLN 133 + QE MET 113 OK 16 85 - 19 - 9619/9330=3, 9618/9331=2...(7) HA3 GLY 50 + QE MET 113 OK 13 100 - 13 - 3688/4.2=2, 3697/4.2=2...(4) HB2 SER 100 + QE MET 113 OK 12 92 - 13 - 10196/3.3=2, 9572/9330=1...(4) Peak 9338 from cnoeabs.peaks (3.10, 1.99, 15.64 ppm; 6.25 A): 6 out of 6 assignments used, quality = 0.76: HD2 ARG 109 + QE MET 113 OK 32 89 - 36 - 3.0/9336=9, 3.6/9334=5...(9) HB3 ASN 96 + QE MET 113 OK 25 94 - 27 - 3.5/10249=7, 1.8/3727=3...(8) HA ALA 105 + QE MET 113 OK 23 98 - 23 - 4.9/10155=7...(7) HD2 ARG 145 + QE MET 113 OK 17 77 - 22 - 3.0/9336=5, 3.0/9336=5...(5) HD3 ARG 145 + QE MET 113 OK 16 72 - 21 - 3.0/9336=5, 3.0/9336=5...(5) HB3 HIS 10 + QE MET 113 OK 12 99 - 12 - 4.0/10187=8, 9669/9331=1 Peak 9339 from cnoeabs.peaks (4.66, 1.41, 29.25 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.68: HA ASN 139 + HD2 LYS 114 OK 64 89 - 72 - 3753/3.6=13, 3741/3.6=11...(24) HA MET 11 + HD2 LYS 114 OK 10 98 - 10 - 5.1/10599=5, 10205=2 HA GLN 62 - HD2 LYS 114 lone 6 100 - 6 - 3.0/10887=2 Peak 9340 from cnoeabs.peaks (4.65, 1.49, 29.25 ppm; 4.76 A): 3 out of 6 assignments used, quality = 0.96: HA ASN 139 + HD3 LYS 114 OK 74 100 - 75 - 9339/1.8=21, 4682/3.0=10...(25) HG1 THR 110 + HD3 LYS 114 OK 65 98 - 67 - 3.0/10638=28, ~9290=12...(15) HA GLN 111 + HD3 LYS 114 OK 61 98 - 62 - 3615/3.6=20, 3741/3.6=15...(9) HA LEU 87 - HD3 LYS 114 OK 39 89 - 44 - 3753/3.6=9, 10054/2.9=9...(9) HA ASP 32 - HD3 LYS 114 OK 19 96 - 20 - ~10805=6, 9293/10638=2...(6) HA GLN 62 - HD3 LYS 114 lone 5 72 - 7 - 9339/1.8=2, ~10887=1 Peak 9341 from cnoeabs.peaks (7.15, 1.49, 29.25 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.95: QE TYR 115 + HD3 LYS 114 OK 90 98 - 92 - 10206/1.8=28...(23) QD TYR 117 + HD3 LYS 114 OK 48 92 - 53 - 8139/3.0=22, 8140/3.0=19...(5) Peak 9342 from cnoeabs.peaks (7.17, 1.41, 29.25 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.71: QE TYR 115 + HD2 LYS 114 OK 71 81 - 87 - 10265/2.9=19...(25) Peak 9343 from cnoeabs.peaks (4.66, 7.16, 118.50 ppm; 5.10 A): 3 out of 5 assignments used, quality = 0.50: HA GLN 111 + QE TYR 115 OK 26 61 - 42 - 3.9/9347=15, 10179=12...(11) HA ASN 139 + QE TYR 115 OK 25 90 - 28 - 9339/9342=10...(9) HG1 THR 110 + QE TYR 115 OK 11 61 - 18 - 3.0/9355=6, ~4727=5...(5) HA GLN 62 - QE TYR 115 lone 5 99 - 5 - 4375/10281=2, 9339/9342=1 HA MET 11 - QE TYR 115 lone 4 95 - 4 - 9339/9342=2 Peak 9344 from cnoeabs.peaks (4.52, 7.16, 118.50 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.96: HA TYR 115 + QE TYR 115 OK 92 93 - 100 - 5.7=97, 3.0/7432=39...(13) HA HIS 14 + QE TYR 115 OK 47 99 - 47 - 10696/8171=11...(8) Peak 9345 from cnoeabs.peaks (4.05, 7.16, 118.50 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.81: HD2 PRO 33 + QE TYR 115 OK 55 99 - 56 - 10215/4.5=21, ~10809=15...(7) HA LYS 24 + QE TYR 115 OK 31 96 - 32 - 11366/9311=7...(9) HD3 PRO 118 + QE TYR 115 OK 26 83 - 32 - 11708/10287=9...(9) HA GLN 25 + QE TYR 115 OK 17 75 - 22 - 3.9/9349=6, 10215/4.5=3...(5) Peak 9346 from cnoeabs.peaks (3.34, 7.16, 118.50 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.92: HD2 PRO 57 + QE TYR 115 OK 73 99 - 73 - 3.0/10589=27...(13) HD3 PRO 57 + QE TYR 115 OK 70 96 - 73 - 3.0/10589=27...(12) Peak 9347 from cnoeabs.peaks (2.78, 7.16, 118.50 ppm; 5.14 A): 0 out of 6 assignments used, low quality = 0.22: HG3 GLN 111 - QE TYR 115 OK 22 96 - 23 - 3.9/10179=16, 8372/9884=6 HB3 ASN 84 - QE TYR 115 lone 5 98 - 5 - 9844/9884=1 HB3 TYR 119 - QE TYR 115 lone 5 99 - 5 - 8372/9884=1 HB2 ASP 41 - QE TYR 115 lone 4 71 - 6 - 3609/10179=1, 898/9311=1 HB3 ASP 41 - QE TYR 115 lone 4 66 - 6 - 1.8/9347=1, 904/9311=1 HB2 ASN 128 - QE TYR 115 lone 4 75 - 5 - 10697/8171=1 Peak 9349 from cnoeabs.peaks (2.41, 7.16, 118.50 ppm; 6.75 A): 5 out of 5 assignments used, quality = 0.94: QE MET 46 + QE TYR 115 OK 82 90 - 91 - 8171=32, 10488/5.7=26...(25) HG3 GLN 25 + QE TYR 115 OK 29 90 - 32 - 8245/9808=6, 3.9/9345=4...(11) HB3 PRO 118 + QE TYR 115 OK 26 87 - 30 - 3.0/9345=8, 8245/9808=6...(8) HG3 GLN 133 + QE TYR 115 OK 19 80 - 25 - 10277/5.7=5, 9370/6.5=4...(9) HG2 GLN 133 + QE TYR 115 OK 17 75 - 23 - 10277/5.7=5, 9370/6.5=3...(8) Peak 9350 from cnoeabs.peaks (2.19, 7.16, 118.50 ppm; 5.14 A): 3 out of 6 assignments used, quality = 0.97: HB3 PRO 57 + QE TYR 115 OK 85 96 - 88 - 10589=42, 1.8/10585=28...(17) HB2 MET 46 + QE TYR 115 OK 60 95 - 63 - 4.2/8171=26, 10422=16...(16) HB2 MET 113 + QE TYR 115 OK 52 95 - 55 - 4.7/9311=22...(10) HG2 PRO 129 - QE TYR 115 OK 27 75 - 37 - 3.8/10277=19...(3) HB3 LYS 86 - QE TYR 115 OK 24 90 - 27 - 4.6/10283=7...(8) HG2 GLU 75 - QE TYR 115 OK 14 87 - 16 - 1084/8171=3...(8) Peak 9351 from cnoeabs.peaks (1.94, 7.16, 118.50 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.71: HB ILE 56 + QE TYR 115 OK 53 80 - 67 - 4.8/9346=22, 4.8/9346=21...(11) HB3 GLU 122 + QE TYR 115 OK 28 99 - 28 - 11034/9570=12, ~9920=4...(5) HB2 LYS 61 + QE TYR 115 OK 13 71 - 19 - 8331/10295=4...(7) HB3 PRO 98 - QE TYR 115 lone 7 93 - 7 - 9447/9443=2 HG2 PRO 52 - QE TYR 115 lone 6 95 - 7 - 4505/9570=1 HB3 PRO 52 - QE TYR 115 lone 6 93 - 7 - 4505/9570=1 HB2 ARG 89 - QE TYR 115 lone 4 80 - 5 - Peak 9352 from cnoeabs.peaks (1.77, 7.16, 118.50 ppm; 4.79 A): 3 out of 6 assignments used, quality = 0.88: HG2 PRO 57 + QE TYR 115 OK 75 90 - 83 - 2.3/10589=34, 10590=25...(11) HB3 ARG 35 + QE TYR 115 OK 31 90 - 35 - 602/2.2=8, ~593=7...(8) HG LEU 39 + QE TYR 115 OK 29 99 - 30 - ~8132=9, ~4750=8...(6) HB3 MET 59 - QE TYR 115 lone 7 99 - 7 - 11011/9884=2 HG LEU 72 - QE TYR 115 lone 6 87 - 7 - 1524/10589=1 HB3 ARG 55 - QE TYR 115 lone 5 99 - 5 - 8249/4722=1 Peak 9353 from cnoeabs.peaks (1.64, 7.16, 118.50 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.97: HB2 LYS 114 + QE TYR 115 OK 88 90 - 98 - 2.9/9358=28...(27) HB2 PRO 57 + QE TYR 115 OK 74 93 - 80 - 1.8/10589=35, 10585=22...(15) HG13 ILE 136 - QE TYR 115 OK 25 80 - 32 - 2.3/4722=10, ~4728=7...(6) HD3 LYS 93 - QE TYR 115 OK 25 90 - 28 - 3.0/9354=3, 3789/9342=2...(12) HB3 LEU 26 - QE TYR 115 OK 23 93 - 25 - ~10549=5, ~10876=4...(7) HG3 LYS 34 - QE TYR 115 OK 12 66 - 19 - ~11171=4, 1.8/10281=3...(7) HG2 ARG 140 - QE TYR 115 OK 10 75 - 13 - 1.8/4718=1, 3614/10179=1, 9353=1 HD2 LYS 24 - QE TYR 115 poor 9 66 - 13 - 3.0/9354=3, 5.3/9345=3...(5) Peak 9354 from cnoeabs.peaks (1.42, 7.16, 118.50 ppm; 3.96 A): 4 out of 7 assignments used, quality = 0.94: HD2 LYS 114 + QE TYR 115 OK 81 87 - 94 - 9342=34, 1.8/9341=22...(24) HG12 ILE 91 + QE TYR 115 OK 35 87 - 40 - 10642/4.5=7, ~4727=6...(17) HG LEU 116 + QE TYR 115 OK 32 66 - 49 - ~10220=11, 4.9/10287=10...(12) HB2 ARG 35 + QE TYR 115 OK 24 75 - 32 - 1.8/4718=6, 593/2.2=5...(9) HG3 LYS 93 - QE TYR 115 OK 21 99 - 21 - 9354=3, 3.0/9353=2...(9) HG2 LYS 36 - QE TYR 115 OK 19 96 - 20 - 3.0/10814=5, ~10784=4...(5) HG2 LYS 24 - QE TYR 115 OK 18 96 - 19 - 10906/9342=3, 4.0/9345=2...(4) Peak 9355 from cnoeabs.peaks (1.04, 7.16, 118.50 ppm; 4.21 A): 5 out of 5 assignments used, quality = 0.97: HG3 LYS 114 + QE TYR 115 OK 63 66 - 95 - 2.9/9342=28, 1.8/9358=28...(26) HB2 LEU 116 + QE TYR 115 OK 52 99 - 53 - 4727/2.2=16...(15) QG2 VAL 53 + QE TYR 115 OK 50 61 - 82 - 2.1/8237=46, 9808=19...(13) HG13 ILE 91 + QE TYR 115 OK 39 87 - 45 - 4727/2.2=9, ~9359=7...(18) QG2 THR 110 + QE TYR 115 OK 37 90 - 41 - 4727/2.2=6, 10638/9341=5...(14) Peak 9356 from cnoeabs.peaks (0.90, 7.16, 118.50 ppm; 3.53 A): 5 out of 5 assignments used, quality = 0.94: QG1 VAL 53 + QE TYR 115 OK 81 99 - 82 - 8237=50, 2.1/9808=25...(15) QD2 LEU 29 + QE TYR 115 OK 40 80 - 50 - 9356=12, 378/2.2=6...(16) QG1 VAL 63 + QE TYR 115 OK 22 99 - 22 - 9869/10282=4...(7) QG2 VAL 80 + QE TYR 115 OK 21 83 - 26 - 8756/9570=7, 9356=6...(6) HB2 LEU 64 + QE TYR 115 OK 19 61 - 32 - 3.1/9884=11, 9356=7...(6) Peak 9357 from cnoeabs.peaks (0.59, 7.16, 118.50 ppm; 4.49 A): 4 out of 5 assignments used, quality = 0.95: QD1 LEU 132 + QE TYR 115 OK 76 98 - 78 - 2.1/9570=41, 10295=19...(18) QD1 LEU 66 + QE TYR 115 OK 45 61 - 73 - 2.1/9907=20, 9903=16...(18) QD1 ILE 56 + QE TYR 115 OK 40 95 - 42 - 3.1/10431=10, 4729/2.2=9...(12) QG1 VAL 71 + QE TYR 115 OK 32 87 - 37 - 4729/2.2=8, 10218/4.5=4...(13) QG2 ILE 58 - QE TYR 115 poor 9 71 - 13 - 4508/9570=2...(3) Peak 9358 from cnoeabs.peaks (0.45, 7.16, 118.50 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.98: HG2 LYS 114 + QE TYR 115 OK 98 99 - 99 - 1.8/10265=40...(28) Peak 9359 from cnoeabs.peaks (1.43, 7.31, 132.50 ppm; 5.78 A): 2 out of 2 assignments used, quality = 0.98: HB3 LYS 114 + QD TYR 115 OK 93 94 - 99 - ~10259=31, ~10265=30...(31) HG12 ILE 91 + QD TYR 115 OK 69 94 - 73 - 10642/2.5=22...(20) Peak 9360 from cnoeabs.peaks (1.05, 7.31, 132.50 ppm; 5.15 A): 4 out of 4 assignments used, quality = 1.00: HG3 LYS 114 + QD TYR 115 OK 99 100 - 99 - 10265/2.2=39, ~9358=30...(37) QG2 VAL 53 + QD TYR 115 OK 96 99 - 97 - 9848/2.2=47, ~8237=39...(22) HG13 ILE 91 + QD TYR 115 OK 73 100 - 73 - ~10642=16, 1.8/9359=14...(24) HB2 LEU 116 + QD TYR 115 OK 59 68 - 88 - 3.9/7439=18, ~9366=17...(23) Peak 9361 from cnoeabs.peaks (0.90, 7.31, 132.50 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.94: QG1 VAL 53 + QD TYR 115 OK 89 94 - 95 - 8237/2.2=45, ~9848=33...(16) QG2 VAL 80 + QD TYR 115 OK 26 98 - 27 - 9356/2.2=10, 8755/4729=4...(7) QG1 VAL 63 + QD TYR 115 OK 25 92 - 28 - 9356/2.2=6, 9869/9883=3...(9) QD1 ILE 101 - QD TYR 115 OK 19 72 - 26 - ~10431=7, ~4722=6...(5) Peak 9362 from cnoeabs.peaks (0.64, 7.31, 132.50 ppm; 6.17 A): 2 out of 2 assignments used, quality = 0.69: QD1 LEU 126 + QD TYR 115 OK 50 92 - 55 - 4749/2.2=47...(5) QD2 LEU 64 + QD TYR 115 OK 38 68 - 57 - 10282/2.2=22, ~9356=12...(13) Peak 9363 from cnoeabs.peaks (1.02, 2.69, 41.04 ppm; 6.80 A): 4 out of 9 assignments used, quality = 0.92: QD2 LEU 116 + HB3 TYR 115 OK 79 81 - 97 - 5.0/3853=33, 9369/4.0=30...(22) QD2 LEU 69 + HB3 TYR 115 OK 40 85 - 47 - 7446/4.7=13, 9369/4.0=12...(11) QG2 THR 110 + HB3 TYR 115 OK 26 72 - 36 - 10241/4.0=13, 9355/4.5=7...(8) QD2 LEU 116 + HB3 ASP 13 OK 19 58 - 34 - 5.0/3853=9, 7455/9386=5...(10) QD2 LEU 116 - HB3 ASP 16 poor 8 54 - 14 - 5.0/3853=3, 2.1/9374=2...(4) QD2 LEU 69 - HB3 ASP 13 poor 7 61 - 12 - 7455/9386=3, 7446/3853=1...(4) QG2 THR 110 - HB3 ASP 13 lone 4 50 - 8 - 10241/7430=1 QG2 THR 110 - HB3 ASP 16 lone 3 47 - 7 - 9293/3.0=1 QD2 LEU 69 - HB3 ASP 16 lone 3 57 - 5 - Peak 9364 from cnoeabs.peaks (0.90, 2.69, 41.04 ppm; 6.80 A): 3 out of 12 assignments used, quality = 0.93: QG1 VAL 53 + HB3 TYR 115 OK 85 94 - 90 - 8237/4.5=45, ~8236=30...(14) QG2 VAL 80 + HB3 TYR 115 OK 32 98 - 33 - 9356/4.5=10, 9361/2.5=8...(9) QG1 VAL 63 + HB3 TYR 115 OK 27 92 - 30 - 9361/2.5=8, 9356/4.5=5...(8) QD1 ILE 101 - HB3 TYR 115 OK 20 72 - 27 - 4728/2.5=10, ~4728=8...(4) QG1 VAL 53 - HB3 ASP 13 OK 17 70 - 25 - 2.1/8241=7, ~8006=5...(4) QG2 VAL 80 - HB3 ASP 13 poor 10 74 - 13 - 9548/9564=2, 9702/7778=1...(4) QG1 VAL 63 - HB3 ASP 13 lone 6 67 - 10 - QG2 VAL 80 - HB3 ASP 16 lone 6 70 - 8 - ~9954=1, 2.1/8757=1 QG1 VAL 53 - HB3 ASP 16 lone 5 66 - 8 - 8239/4.6=2 QD1 ILE 101 - HB3 ASP 13 lone 3 50 - 7 - 4728/4660=1 QG1 VAL 63 - HB3 ASP 16 lone 3 63 - 4 - QD1 ILE 101 - HB3 ASP 16 lone 2 47 - 3 - Peak 9365 from cnoeabs.peaks (0.56, 2.69, 41.04 ppm; 5.42 A): 4 out of 9 assignments used, quality = 0.86: QD1 LEU 66 + HB3 TYR 115 OK 79 85 - 93 - 9367/1.8=33, ~11113=24...(19) QD1 ILE 58 + HB3 TYR 115 OK 14 92 - 15 - 9367/1.8=4, ~9367=2...(6) QG2 ILE 58 + HB3 TYR 115 OK 11 77 - 14 - 9367/1.8=4, ~9367=3...(4) QD1 LEU 66 + HB3 ASP 13 OK 10 61 - 17 - 9858=3, 9367/3842=3...(6) QD1 ILE 58 - HB3 ASP 13 lone 4 67 - 6 - QD1 LEU 66 - HB3 ASP 16 lone 3 57 - 6 - QG2 ILE 58 - HB3 ASP 13 lone 3 54 - 5 - QD1 ILE 58 - HB3 ASP 16 lone 1 63 - 2 - QG2 ILE 58 - HB3 ASP 16 lone 1 50 - 2 - Peak 9366 from cnoeabs.peaks (1.01, 2.95, 41.04 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 116 + HB2 TYR 115 OK 90 100 - 90 - 3894/4.7=27, 9377/1.8=22...(21) QD2 LEU 69 + HB2 TYR 115 OK 32 100 - 32 - 7446/4.7=10, 9369/4.0=7...(8) Peak 9367 from cnoeabs.peaks (0.57, 2.95, 41.04 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.88: QD1 LEU 66 + HB2 TYR 115 OK 84 94 - 89 - 2.1/11113=26...(19) QG1 VAL 71 + HB2 TYR 115 OK 15 72 - 21 - 10218/1.8=7, 4723/4.5=3...(6) QD1 ILE 58 + HB2 TYR 115 OK 10 81 - 13 - 9365/1.8=3, 959/11599=2...(5) QG2 ILE 58 - HB2 TYR 115 poor 9 89 - 10 - 9365/1.8=3, ~9365=2, 4723/4.5=1 Peak 9371 from cnoeabs.peaks (4.32, 0.99, 27.97 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.95: HA TYR 70 + QD1 LEU 116 OK 87 98 - 89 - 8479=23, 2.9/9399=20...(21) HA PRO 12 + QD1 LEU 116 OK 62 98 - 64 - 9371=37, 10226/2.1=30...(10) HA ILE 56 - QD1 LEU 116 OK 13 85 - 15 - 4.2/9393=7, 3.8/10228=4 Peak 9372 from cnoeabs.peaks (3.83, 0.99, 27.97 ppm; 4.06 A): 4 out of 8 assignments used, quality = 0.93: HA LEU 66 + QD1 LEU 116 OK 77 98 - 79 - 8390/2.1=22, 8390=16...(28) HD2 PRO 118 + QD1 LEU 116 OK 36 100 - 36 - 4.8/7454=11, 9372=6...(6) HA GLN 133 + QD1 LEU 116 OK 35 99 - 35 - 9616=9, 9375/2.1=4...(13) HA MET 68 + QD1 LEU 116 OK 26 72 - 36 - 3.6/10221=11, 9372=5...(12) HB2 SER 127 - QD1 LEU 116 OK 24 68 - 36 - 3.0/3887=5, 9375/2.1=5...(12) HB2 SER 100 - QD1 LEU 116 OK 14 100 - 14 - 8465/10228=3...(3) HA ALA 104 - QD1 LEU 116 OK 13 81 - 16 - 9372=3, 9375/2.1=2...(4) HA3 GLY 50 - QD1 LEU 116 lone 6 92 - 6 - 8465/10228=1, 10292/2.1=1 Peak 9373 from cnoeabs.peaks (3.14, 0.99, 27.97 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.97: HB2 TYR 70 + QD1 LEU 116 OK 78 98 - 80 - 9373=27, 9376/2.1=21...(12) HA LEU 39 + QD1 LEU 116 OK 74 100 - 74 - 9376/2.1=14, 3.0/839=9...(28) HA VAL 80 + QD1 LEU 116 OK 46 92 - 50 - 9373=13, 9376/2.1=8...(14) HB2 TRP 17 - QD1 LEU 116 lone 5 81 - 6 - 9376/2.1=1 Peak 9374 from cnoeabs.peaks (2.71, 0.99, 27.97 ppm; 4.63 A): 1 out of 5 assignments used, quality = 0.61: HB3 MET 46 + QD1 LEU 116 OK 61 89 - 68 - 3.0/10289=13...(17) HB2 ASN 84 - QD1 LEU 116 lone 9 99 - 9 - 10538/11611=2, ~11093=2 HB3 CYS 121 - QD1 LEU 116 lone 8 100 - 8 - 9897/9393=2 HB3 GLU 120 - QD1 LEU 116 lone 4 68 - 5 - 3.6/9437=1 HB3 ASP 16 - QD1 LEU 116 lone 3 68 - 4 - 9374=1 Peak 9375 from cnoeabs.peaks (4.33, 1.01, 24.27 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.96: HA TYR 70 + QD2 LEU 116 OK 89 100 - 89 - 8479/2.1=26, 2.9/9403=24...(21) HA PRO 12 + QD2 LEU 116 OK 66 100 - 66 - 10226=37, 9371/2.1=32...(8) Peak 9376 from cnoeabs.peaks (3.14, 1.01, 24.27 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.94: HB2 TYR 70 + QD2 LEU 116 OK 75 98 - 77 - 9376=22, 9373/2.1=18...(15) HA LEU 39 + QD2 LEU 116 OK 60 100 - 60 - 9373/2.1=12, 3.0/3899=7...(21) HA VAL 80 + QD2 LEU 116 OK 35 92 - 38 - 9376=9, 9373/2.1=9...(10) HB2 TRP 17 - QD2 LEU 116 lone 5 81 - 6 - 8152/9392=3 Peak 9377 from cnoeabs.peaks (2.69, 1.01, 24.27 ppm; 4.03 A): 5 out of 7 assignments used, quality = 0.92: HB3 TYR 115 + QD2 LEU 116 OK 80 98 - 82 - 1.8/9366=22, 4.7/3894=20...(20) HB2 PHE 43 + QD2 LEU 116 OK 36 89 - 41 - 5.8/10687=9, 9377=9...(10) HB3 ASP 13 + QD2 LEU 116 OK 14 85 - 17 - 3853/5.0=4, 9386/3901=2...(6) HB2 ASP 137 + QD2 LEU 116 OK 12 100 - 12 - 9377=3, ~9374=2...(5) HB2 ASP 32 + QD2 LEU 116 OK 12 100 - 12 - 9377=3, 7438/5.0=2...(4) HB3 ASP 16 - QD2 LEU 116 lone 6 100 - 6 - 9374/2.1=2, 3853/5.0=1 HB3 CYS 121 - QD2 LEU 116 lone 5 68 - 7 - 10920/8143=2, 9377=1 Peak 9378 from cnoeabs.peaks (1.88, 1.01, 24.27 ppm; 5.10 A): 6 out of 8 assignments used, quality = 0.94: HB2 LYS 36 + QD2 LEU 116 OK 66 99 - 67 - 9378=14, 10229/2.1=9...(18) HB3 LYS 93 + QD2 LEU 116 OK 37 68 - 54 - 10229/2.1=9, 9378=8...(22) HB3 ARG 140 + QD2 LEU 116 OK 32 62 - 51 - ~11091=12, 2.9/10231=9...(10) HB2 LYS 48 + QD2 LEU 116 OK 30 92 - 32 - 9378=6, 1.8/9378=6...(8) HB3 LYS 48 + QD2 LEU 116 OK 29 100 - 29 - 9378=6, 1.8/9378=6...(7) HB2 ARG 144 + QD2 LEU 116 OK 15 98 - 15 - 10514/9402=4, 9378=3...(5) HB3 LYS 85 - QD2 LEU 116 poor 9 62 - 14 - 9378=3, 3.6/11090=2...(5) HB3 ARG 141 - QD2 LEU 116 lone 5 81 - 6 - 10229/2.1=1 Peak 9391 from cnoeabs.peaks (0.53, 1.01, 24.27 ppm; 3.10 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9392 from cnoeabs.peaks (0.31, 1.01, 24.27 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.73: QD2 LEU 42 + QD2 LEU 116 OK 73 100 - 73 - 2.1/9391=24, 10230=22...(19) Peak 9393 from cnoeabs.peaks (0.59, 0.99, 27.97 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.68: QG1 VAL 71 + QD1 LEU 116 OK 45 77 - 58 - ~11092=15, 9393=14...(11) QD1 LEU 132 + QD1 LEU 116 OK 28 94 - 29 - 9393=5, 10294/4.6=3...(7) QD1 ILE 56 + QD1 LEU 116 OK 19 100 - 19 - 2.1/10228=3, 4.2/9371=2...(6) Peak 9394 from cnoeabs.peaks (0.29, 0.99, 27.97 ppm; 5.63 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9395 from cnoeabs.peaks (3.92, 0.68, 44.17 ppm; 5.25 A): 3 out of 4 assignments used, quality = 0.73: HA TYR 112 + HB3 LEU 116 OK 64 77 - 83 - 10223/3.1=35...(14) HD2 PRO 129 + HB3 LEU 116 OK 16 100 - 16 - 9381/3.9=4, 10696/3.2=4...(4) HA LYS 86 + HB3 LEU 116 OK 13 89 - 14 - 9381/3.9=5, 3.9/3874=1 HA2 GLY 143 - HB3 LEU 116 lone 3 85 - 4 - 10696/3.2=1 Peak 9396 from cnoeabs.peaks (6.25, 0.99, 27.97 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.87: QE TYR 119 + QD1 LEU 116 OK 87 92 - 94 - 9396=50, 9400/2.1=49...(13) Peak 9397 from cnoeabs.peaks (6.79, 0.99, 27.97 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.73: QE TYR 112 + QD1 LEU 116 OK 54 77 - 70 - 2.2/4711=25...(13) H LYS 76 + QD1 LEU 116 OK 40 99 - 40 - 10222/2.1=9, 4.6/3893=9...(14) HE21 GLN 133 - QD1 LEU 116 poor 8 72 - 12 - 5.3/9616=4, 9664/10227=3 HD21 ASN 96 - QD1 LEU 116 lone 5 89 - 5 - Peak 9398 from cnoeabs.peaks (6.94, 0.99, 27.97 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.70: QD TYR 112 + QD1 LEU 116 OK 52 68 - 77 - 9398=27, 3.7/10223=20...(16) QD PHE 23 + QD1 LEU 116 OK 37 98 - 38 - 9398=19, 9402/2.1=11...(6) HD21 ASN 139 - QD1 LEU 116 lone 7 98 - 7 - 9402/2.1=2 Peak 9399 from cnoeabs.peaks (7.50, 0.99, 27.97 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.85: H TYR 70 + QD1 LEU 116 OK 73 92 - 80 - 6709/2.1=19, 2.9/8479=15...(21) HD1 TRP 88 + QD1 LEU 116 OK 34 62 - 54 - 9399=41, 9403/2.1=10...(5) HE ARG 49 + QD1 LEU 116 OK 17 99 - 17 - 9403/2.1=4, 5.1/10691=3...(7) HE22 GLN 25 - QD1 LEU 116 lone 8 100 - 8 - 9403/2.1=2, 8393/8390=2 HE21 GLN 47 - QD1 LEU 116 lone 3 77 - 4 - Peak 9400 from cnoeabs.peaks (6.23, 1.01, 24.27 ppm; 3.24 A): 0 out of 2 assignments used, low quality = 0.41: QE TYR 119 - QD2 LEU 116 OK 29 72 - 40 - 2.2/11087=23, ~10685=8...(6) HZ PHE 38 - QD2 LEU 116 OK 17 96 - 17 - 9789=10, ~10722=5, 4741/9392=2 Peak 9401 from cnoeabs.peaks (6.78, 1.01, 24.27 ppm; 4.85 A): 2 out of 3 assignments used, quality = 0.84: QE TYR 112 + QD2 LEU 116 OK 78 100 - 79 - 2.2/9402=22, ~4711=21...(14) H LYS 76 + QD2 LEU 116 OK 25 81 - 30 - 4.6/3901=9, 9397/2.1=6...(10) HZ3 TRP 17 - QD2 LEU 116 lone 5 94 - 5 - 11539/9376=1, 8492/9375=1 Peak 9402 from cnoeabs.peaks (6.94, 1.01, 24.27 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.77: QD TYR 112 + QD2 LEU 116 OK 58 68 - 86 - 9402=25, 9398/2.1=24...(18) QD PHE 23 + QD2 LEU 116 OK 45 98 - 46 - 9402=20, 9398/2.1=17...(8) HD21 ASN 139 - QD2 LEU 116 lone 7 98 - 7 - 9398/2.1=3, 9730/9378=1 Peak 9403 from cnoeabs.peaks (7.50, 1.01, 24.27 ppm; 4.66 A): 4 out of 5 assignments used, quality = 0.92: H TYR 70 + QD2 LEU 116 OK 83 92 - 91 - 9399/2.1=23, 6709=21...(23) HD1 TRP 88 + QD2 LEU 116 OK 37 62 - 59 - 9399/2.1=36, 9403=16...(7) HE ARG 49 + QD2 LEU 116 OK 18 99 - 18 - 9399/2.1=5, 3.9/3884=3...(7) HE22 GLN 25 + QD2 LEU 116 OK 11 100 - 11 - 8393/8390=3, 9399/2.1=3 HE21 GLN 47 - QD2 LEU 116 lone 4 77 - 5 - Peak 9407 from cnoeabs.peaks (6.93, 3.22, 37.52 ppm; 5.14 A): 0 out of 2 assignments used, low quality = 0.32: QD TYR 112 - HB3 TYR 117 OK 32 100 - 32 - 9405/3.9=20...(7) QD PHE 23 - HB3 TYR 117 lone 9 94 - 9 - 4796/8726=3, 10736/8151=2 Peak 9408 from cnoeabs.peaks (6.90, 3.45, 37.52 ppm; 5.31 A): 0 out of 5 assignments used, low quality = 0.15: H LEU 29 - HB2 TYR 117 OK 15 85 - 17 - 10850/4.5=6, 10849/4.5=5...(4) HE21 GLN 22 - HB2 TYR 117 lone 8 100 - 8 - ~4669=3, 10984/4.5=2, ~5669=2 HD2 HIS 14 - HB2 TYR 117 lone 1 100 - 1 - HE21 GLN 25 - HB2 TYR 117 lone 1 94 - 1 - HE21 GLN 111 - HB2 TYR 117 lone 1 62 - 1 - Peak 9409 from cnoeabs.peaks (4.61, 6.56, 118.44 ppm; 4.72 A): 2 out of 4 assignments used, quality = 0.79: HA PRO 129 + QE TYR 117 OK 75 96 - 78 - 10276=38, 2.3/9530=30...(8) HA ARG 124 + QE TYR 117 OK 19 93 - 20 - 9952/8764=5...(7) HA HIS 10 - QE TYR 117 lone 9 98 - 9 - 4399/9532=2, 4383/9530=2...(4) HA ASP 16 - QE TYR 117 lone 2 73 - 2 - Peak 9410 from cnoeabs.peaks (0.59, 6.56, 118.44 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.76: QD1 LEU 132 + QE TYR 117 OK 72 88 - 82 - 2.1/9571=49, 10294=41...(9) QD1 ILE 56 + QE TYR 117 OK 13 98 - 13 - 9329/10189=4, 4731/2.2=3...(4) QG1 VAL 71 - QE TYR 117 poor 8 68 - 12 - 4508/9571=4, 8755/8764=3...(4) Peak 9411 from cnoeabs.peaks (0.40, 6.56, 118.44 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.85: QD2 LEU 132 + QE TYR 117 OK 83 98 - 85 - 9571=50, 2.1/10294=28...(10) HG3 LYS 123 + QE TYR 117 OK 14 88 - 16 - 4515/10294=4...(6) Peak 9412 from cnoeabs.peaks (4.00, 3.45, 37.52 ppm; 4.97 A): 4 out of 11 assignments used, quality = 0.80: HA MET 113 + HB2 TYR 117 OK 63 94 - 67 - 10257=26, 10256/1.8=26...(5) HB THR 107 + HB2 TYR 117 OK 20 81 - 25 - 9236/2.7=8, ~9235=6...(6) HA LYS 114 + HB2 TYR 117 OK 20 94 - 21 - ~10261=8, 9387/3.9=5...(4) HA LEU 69 + HB2 TYR 117 OK 14 92 - 15 - 9387/3.9=5, 9413/1.8=4...(4) HB2 SER 103 - HB2 TYR 117 lone 10 96 - 10 - ~10189=3, 9413/1.8=2...(4) HA GLU 122 - HB2 TYR 117 lone 7 94 - 7 - 9921/2.7=2, 9413/1.8=2 HB3 SER 100 - HB2 TYR 117 lone 6 96 - 6 - 3317/4.5=2, 9413/1.8=1 HB2 SER 138 - HB2 TYR 117 lone 4 92 - 4 - 9387/3.9=1, 9413/1.8=1 HB3 SER 138 - HB2 TYR 117 lone 4 92 - 4 - 9387/3.9=1, 9413/1.8=1 HA GLU 37 - HB2 TYR 117 lone 4 62 - 6 - 9413/1.8=3, 9387/3.9=2 HA LYS 123 - HB2 TYR 117 lone 1 72 - 2 - Peak 9413 from cnoeabs.peaks (4.00, 3.22, 37.52 ppm; 4.92 A): 5 out of 11 assignments used, quality = 0.84: HA MET 113 + HB3 TYR 117 OK 66 94 - 70 - 10257/1.8=34...(7) HA LYS 114 + HB3 TYR 117 OK 20 94 - 21 - ~10261=8, 9387/3.9=5...(4) HB THR 107 + HB3 TYR 117 OK 20 81 - 24 - 9236/2.7=7, ~9235=6...(6) HA LEU 69 + HB3 TYR 117 OK 18 92 - 19 - 9387/3.9=5, 3.9/8463=4...(5) HA GLU 37 + HB3 TYR 117 OK 12 62 - 19 - 4.9/11600=15, 9387/3.9=2 HB2 SER 103 - HB3 TYR 117 poor 10 96 - 10 - ~10189=3, 9412/1.8=3...(4) HA GLU 122 - HB3 TYR 117 lone 7 94 - 7 - 9921/2.7=2, 9412/1.8=2 HB3 SER 100 - HB3 TYR 117 lone 6 96 - 6 - 3317/4.5=2, 9412/1.8=1 HB2 SER 138 - HB3 TYR 117 lone 4 92 - 5 - 9387/3.9=1, 9412/1.8=1 HB3 SER 138 - HB3 TYR 117 lone 4 92 - 5 - 9387/3.9=1, 9412/1.8=1 HA LYS 123 - HB3 TYR 117 lone 1 72 - 2 - Peak 9415 from cnoeabs.peaks (2.71, 4.28, 66.72 ppm; 4.77 A): 3 out of 6 assignments used, quality = 0.82: HB3 MET 46 + HA PRO 118 OK 63 99 - 64 - 9415=30, 1064/2.3=7...(22) HB3 CYS 121 + HA PRO 118 OK 45 94 - 48 - 1.8/9416=32, 10241=16 HB3 GLU 120 + HA PRO 118 OK 11 89 - 13 - 4.6/9451=8, 9415=5 HB2 ASN 84 - HA PRO 118 lone 5 100 - 5 - 9415=2 HB2 PHE 38 - HA PRO 118 lone 3 77 - 4 - ~10302=2 HB3 TYR 70 - HA PRO 118 lone 2 77 - 2 - Peak 9416 from cnoeabs.peaks (2.88, 4.28, 66.72 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.45: HB2 CYS 121 + HA PRO 118 OK 45 89 - 51 - 9416=32, 1.8/10241=18...(4) HB3 ASP 32 - HA PRO 118 poor 8 72 - 11 - 9416=6, 8090/3.6=2, 7470/3.6=2 Peak 9421 from cnoeabs.peaks (0.52, 3.08, 61.73 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 42 + HA TYR 119 OK 93 100 - 93 - 9420/2.8=37, 8160/3.7=36...(19) Peak 9425 from cnoeabs.peaks (7.13, 4.28, 66.72 ppm; 5.98 A): 3 out of 3 assignments used, quality = 0.87: QD PHE 106 + HA PRO 118 OK 62 98 - 63 - 9425=24, 9426/2.3=17...(6) QE PHE 45 + HA PRO 118 OK 57 81 - 70 - 9427/3.6=26...(7) QD TYR 117 + HA PRO 118 OK 23 72 - 32 - 9425=13, 9426/2.3=8...(7) Peak 9426 from cnoeabs.peaks (7.13, 1.92, 30.04 ppm; 4.42 A): 3 out of 6 assignments used, quality = 0.65: QD PHE 106 + HB2 PRO 118 OK 35 98 - 36 - 9425/2.3=13, 10235/1.8=8...(5) QE PHE 45 + HB2 PRO 118 OK 35 81 - 43 - 9427/4.3=15...(7) QD TYR 117 + HB2 PRO 118 OK 16 72 - 22 - ~11703=10, 9425/2.3=7...(4) QD TYR 117 - HB2 ARG 140 poor 8 55 - 14 - 4.6/3954=2, 5667/3.4=2...(4) QD PHE 106 - HB2 ARG 140 lone 3 81 - 3 - QE PHE 45 - HB2 ARG 140 lone 3 63 - 4 - Peak 9428 from cnoeabs.peaks (7.12, 3.08, 61.73 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.84: QE PHE 45 + HA TYR 119 OK 78 100 - 78 - 9428=26, 2.2/10236=22...(14) QD PHE 106 + HA TYR 119 OK 28 68 - 41 - 9428=14, 9427/2.8=11...(10) Peak 9429 from cnoeabs.peaks (6.99, 3.08, 61.73 ppm; 4.76 A): 4 out of 6 assignments used, quality = 0.47: HD22 ASN 130 + HA TYR 119 OK 16 92 - 18 - 1.7/3987=7, 3.4/3982=5...(4) HH2 TRP 17 + HA TYR 119 OK 16 99 - 16 - 4.3/4770=7, 9429=6, 5588/9428=1 HD2 HIS 10 + HA TYR 119 OK 15 68 - 23 - 10305/2.8=21 HZ PHE 67 + HA TYR 119 OK 10 96 - 11 - 9429=4, 10243/4064=1 QE PHE 43 - HA TYR 119 lone 8 99 - 8 - 10737/9421=2...(4) HD22 ASN 128 - HA TYR 119 lone 7 92 - 7 - 10683/10693=1 Peak 9430 from cnoeabs.peaks (3.46, 6.24, 117.38 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.69: HB3 PHE 45 + QE TYR 119 OK 48 100 - 48 - 11502=20, 10831/2.2=19 HA LEU 42 + QE TYR 119 OK 40 62 - 64 - 3.8/8162=35, 3.9/9433=26...(4) HB2 TYR 117 - QE TYR 119 lone 3 77 - 3 - 947/9433=1, 955/8162=1 Peak 9431 from cnoeabs.peaks (2.79, 6.24, 117.38 ppm; 5.73 A): 3 out of 6 assignments used, quality = 0.95: HB3 TYR 119 + QE TYR 119 OK 89 89 - 100 - 4.5=100 HB3 ASP 41 + QE TYR 119 OK 40 92 - 44 - 10747=35, ~4674=5...(4) HB3 ASN 84 + QE TYR 119 OK 30 85 - 35 - 4001/2.2=14, 3999/4.5=9...(5) HG3 GLN 111 - QE TYR 119 OK 14 81 - 17 - 4674/2.2=5, 3993/4.5=4...(4) HB2 ASN 128 - QE TYR 119 lone 6 96 - 6 - 8148/9433=3 HB3 ASN 139 - QE TYR 119 lone 2 72 - 3 - 8148/9433=2 Peak 9432 from cnoeabs.peaks (2.67, 6.24, 117.38 ppm; 5.62 A): 0 out of 1 assignment used, low quality = 0.00: HB3 ASP 13 - QE TYR 119 lone 1 62 - 2 - Peak 9433 from cnoeabs.peaks (0.52, 6.24, 117.38 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 42 + QE TYR 119 OK 93 98 - 96 - 2.1/8162=48, 8160/2.2=48...(12) Peak 9434 from cnoeabs.peaks (0.34, 6.24, 117.38 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.89: HG2 LYS 123 + QE TYR 119 OK 89 100 - 89 - 9463=50, 1.8/9464=44...(8) Peak 9442 from cnoeabs.peaks (6.74, 4.16, 60.17 ppm; 4.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9444 from cnoeabs.peaks (7.14, 2.08, 35.06 ppm; 5.68 A): 2 out of 2 assignments used, quality = 0.74: QD PHE 106 + HG2 GLU 122 OK 65 100 - 65 - 9445/1.8=27, 9444=20...(10) QD TYR 117 + HG2 GLU 122 OK 26 94 - 28 - 9444=12, 9445/1.8=9, 9921/3.9=3 Peak 9445 from cnoeabs.peaks (7.13, 2.00, 35.06 ppm; 5.12 A): 3 out of 3 assignments used, quality = 0.84: QE PHE 45 + HG3 GLU 122 OK 66 77 - 85 - 9446/3.0=23, ~10244=17...(13) QD PHE 106 + HG3 GLU 122 OK 47 99 - 48 - 9444/1.8=23, 9446/3.0=11...(8) QD TYR 117 + HG3 GLU 122 OK 12 77 - 15 - 9444/1.8=9, 9921/3.9=3 Peak 9446 from cnoeabs.peaks (7.12, 1.51, 29.51 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.87: QE PHE 45 + HB2 GLU 122 OK 83 100 - 84 - 10247/1.8=30, 9446=16...(16) QD PHE 106 + HB2 GLU 122 OK 21 68 - 31 - 9446=9, 9445/3.0=6...(9) Peak 9453 from cnoeabs.peaks (1.13, 2.08, 35.06 ppm; 5.19 A): 2 out of 4 assignments used, quality = 0.74: HD2 LYS 123 + HG2 GLU 122 OK 67 72 - 92 - 1.8/9458=25, 9453=22...(26) QB ALA 105 + HG2 GLU 122 OK 21 62 - 33 - ~9459=9, ~9459=8...(8) HG LEU 64 - HG2 GLU 122 lone 7 98 - 7 - 10628/3.0=2, ~11017=1, ~10626=1 QG2 THR 18 - HG2 GLU 122 lone 4 96 - 4 - 10864/1.8=2 Peak 9454 from cnoeabs.peaks (0.37, 2.08, 35.06 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9455 from cnoeabs.peaks (1.11, 2.00, 35.06 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: HD2 LYS 123 + HG3 GLU 122 OK 96 98 - 98 - 9453/1.8=37, ~9458=31...(27) QB ALA 105 + HG3 GLU 122 OK 57 100 - 57 - 2.1/9459=18, 9453/1.8=10...(13) Peak 9456 from cnoeabs.peaks (1.20, 2.00, 35.06 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.72: HD3 LYS 123 + HG3 GLU 122 OK 62 62 - 99 - 1.8/9455=43, 9458/1.8=35...(25) HG12 ILE 56 + HG3 GLU 122 OK 16 100 - 15 - ~9458=4, ~1480=1 HG13 ILE 56 + HG3 GLU 122 OK 15 99 - 15 - 9458/1.8=4, ~1480=1 Peak 9457 from cnoeabs.peaks (0.38, 2.00, 35.06 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.95: HG3 LYS 123 + HG3 GLU 122 OK 91 92 - 99 - 2.9/9455=38, ~9453=29...(30) QD2 LEU 132 + HG3 GLU 122 OK 46 68 - 67 - 11034/3.0=20...(21) Peak 9458 from cnoeabs.peaks (1.24, 2.08, 35.06 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.35: HB3 LEU 87 - HG2 GLU 122 OK 15 100 - 15 - 10766/1.8=5, 4158/9453=2...(4) HG12 ILE 101 - HG2 GLU 122 OK 15 99 - 15 - 10174/4086=4...(4) QG2 THR 107 - HG2 GLU 122 OK 11 62 - 18 - 9458=6, 4158/9453=3...(5) Peak 9459 from cnoeabs.peaks (3.10, 2.00, 35.06 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.63: HA TYR 119 + HG3 GLU 122 OK 41 62 - 65 - 4064/3.0=20, 4072/3.0=18...(12) HA ALA 105 + HG3 GLU 122 OK 38 77 - 50 - 2.1/9455=15, ~9453=10...(8) HB3 ASN 96 - HG3 GLU 122 lone 5 68 - 8 - 4072/3.0=2, 4064/3.0=2 HB3 HIS 10 - HG3 GLU 122 lone 3 100 - 3 - Peak 9461 from cnoeabs.peaks (6.27, 2.35, 41.80 ppm; 4.26 A): 0 out of 1 assignment used, low quality = 0.00: QE PHE 38 - HE2 LYS 123 lone 4 100 - 4 - 10332/4180=2 Peak 9462 from cnoeabs.peaks (6.25, 2.64, 41.80 ppm; 3.78 A): 0 out of 1 assignment used, low quality = 0.27: QE TYR 119 - HE3 LYS 123 OK 27 92 - 30 - 9464/3.8=17, 9463/3.8=15 Peak 9463 from cnoeabs.peaks (6.25, 0.34, 22.91 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.88: QE TYR 119 + HG2 LYS 123 OK 88 100 - 89 - 9434=47, 9464/1.8=44...(8) Peak 9464 from cnoeabs.peaks (6.25, 0.39, 22.91 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.68: QE TYR 119 + HG3 LYS 123 OK 68 100 - 68 - 9463/1.8=35, 9462/3.8=33...(5) Peak 9465 from cnoeabs.peaks (0.71, 1.51, 31.59 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 87 + HB2 LYS 123 OK 90 100 - 90 - 9465=46, 10066/3.0=19...(25) QD2 LEU 87 + HB2 LYS 123 OK 89 100 - 89 - 2.1/9465=43...(21) Peak 9466 from cnoeabs.peaks (1.99, 0.34, 22.91 ppm; 6.59 A): 3 out of 10 assignments used, quality = 0.97: HG3 GLU 122 + HG2 LYS 123 OK 84 85 - 98 - 9455/2.9=28, ~9453=27...(28) HB VAL 63 + HG2 LYS 123 OK 54 99 - 55 - 10329/3.8=7, 3.0/4130=5...(22) QE MET 113 + HG2 LYS 123 OK 53 100 - 53 - 9330/4134=8, 9330/1.8=8...(17) HB3 GLU 90 - HG2 LYS 123 OK 41 81 - 50 - 3.0/9808=16...(7) QE MET 59 - HG2 LYS 123 OK 37 98 - 38 - 10567/2.9=7, 10329/3.8=5...(12) HB3 GLU 37 - HG2 LYS 123 OK 24 57 - 41 - 3.0/4130=6, ~4141=4...(12) HG3 PRO 52 - HG2 LYS 123 OK 19 94 - 20 - 7528/5.0=6, 10329/3.8=3...(6) HB2 GLN 111 - HG2 LYS 123 OK 17 100 - 17 - 10329/3.8=2, ~3615=2...(7) QE MET 11 - HG2 LYS 123 OK 13 92 - 15 - 10600/2984=4...(3) HB2 GLU 142 - HG2 LYS 123 lone 8 85 - 9 - 9468/3.8=2, 7552/4.8=1 Peak 9468 from cnoeabs.peaks (1.98, 2.35, 41.80 ppm; 4.27 A): 0 out of 6 assignments used, low quality = 0.40: HB3 GLU 75 - HE2 LYS 123 OK 18 100 - 18 - 8639/3.8=10, 9470/3.0=7 HB VAL 63 - HE2 LYS 123 OK 17 81 - 21 - 3.0/4174=3, 10132/3.0=2...(10) QE MET 59 - HE2 LYS 123 OK 12 85 - 14 - 10567/3.0=4...(4) QE MET 113 - HE2 LYS 123 poor 10 72 - 13 - 9330/3.8=3, 9330/4178=3...(5) HB3 ARG 124 - HE2 LYS 123 lone 7 98 - 7 - 9470/3.0=2, 9466/3.8=2 HB2 GLU 142 - HE2 LYS 123 lone 2 98 - 2 - Peak 9469 from cnoeabs.peaks (2.06, 2.35, 41.80 ppm; 4.49 A): 2 out of 8 assignments used, quality = 0.73: HG3 PRO 98 + HE2 LYS 123 OK 69 99 - 70 - ~4192=9, 3283=9...(17) HB2 PRO 52 + HE2 LYS 123 OK 11 94 - 12 - ~10329=1, 2.3/9806=1 HA ARG 35 - HE2 LYS 123 lone 7 99 - 7 - 6215/10331=4, 9781/9461=2 HD2 ARG 49 - HE2 LYS 123 lone 5 89 - 6 - 8193/3243=1, 9781/9461=1 HB3 LYS 61 - HE2 LYS 123 lone 3 77 - 4 - HB3 GLN 62 - HE2 LYS 123 lone 3 94 - 3 - HB2 LEU 26 - HE2 LYS 123 lone 2 81 - 3 - HB2 PRO 129 - HE2 LYS 123 lone 1 62 - 1 - Peak 9470 from cnoeabs.peaks (1.97, 1.12, 27.29 ppm; 4.78 A): 3 out of 6 assignments used, quality = 0.50: HB3 GLU 75 + HD2 LYS 123 OK 27 92 - 30 - 9468/3.0=17, 8639/2.9=13 HB2 LYS 34 + HD2 LYS 123 OK 23 98 - 24 - 2.9/4153=6, 497/3.7=3...(7) HB3 ARG 124 + HD2 LYS 123 OK 10 96 - 11 - 9468/3.0=3, 9466/2.9=3, ~10055=1 HB ILE 56 - HD2 LYS 123 lone 5 72 - 7 - 9468/3.0=1 HB2 LYS 61 - HD2 LYS 123 lone 3 81 - 3 - HB3 MET 11 - HD2 LYS 123 lone 2 96 - 3 - Peak 9477 from cnoeabs.peaks (0.79, 3.30, 41.21 ppm; 4.32 A): 3 out of 5 assignments used, quality = 0.99: QD2 LEU 126 + HD2 ARG 124 OK 95 100 - 95 - 10682=23, 2.1/10254=21...(31) QD1 LEU 79 + HD2 ARG 124 OK 70 85 - 82 - 2.1/9478=34, ~8726=10...(21) QG1 VAL 80 + HD2 ARG 124 OK 46 98 - 47 - 10682=9, 11073/3.0=8...(11) QD2 LEU 95 - HD2 ARG 124 OK 25 68 - 38 - 11070/3.0=4, 9479/1.8=4...(19) QG2 THR 74 - HD2 ARG 124 OK 25 92 - 27 - 9479/1.8=4, 10677/3.0=3...(11) Peak 9478 from cnoeabs.peaks (0.62, 3.30, 41.21 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.95: QD2 LEU 79 + HD2 ARG 124 OK 82 96 - 85 - 9478=21, 8726/1.8=17...(24) QD1 LEU 126 + HD2 ARG 124 OK 74 77 - 97 - 2.1/10682=22...(29) QD2 LEU 64 - HD2 ARG 124 OK 39 96 - 40 - 9480/1.8=8, 9483/3.8=7...(8) Peak 9479 from cnoeabs.peaks (0.80, 3.22, 41.21 ppm; 4.48 A): 3 out of 4 assignments used, quality = 0.90: QD2 LEU 126 + HD3 ARG 124 OK 77 81 - 95 - 2.1/10255=24...(29) QG1 VAL 80 + HD3 ARG 124 OK 43 98 - 44 - 11073/3.0=8, 10682/1.8=8...(11) QD1 LEU 95 + HD3 ARG 124 OK 20 62 - 33 - ~9477=4, ~11070=3...(18) HG LEU 42 - HD3 ARG 124 lone 2 68 - 3 - Peak 9480 from cnoeabs.peaks (0.62, 3.22, 41.21 ppm; 5.21 A): 3 out of 3 assignments used, quality = 0.98: QD2 LEU 79 + HD3 ARG 124 OK 85 96 - 89 - 9478/1.8=20, 8726=18...(26) QD1 LEU 126 + HD3 ARG 124 OK 75 77 - 97 - 2.1/11075=29...(30) QD2 LEU 64 + HD3 ARG 124 OK 46 96 - 48 - 9478/1.8=9, 9480=8...(10) Peak 9481 from cnoeabs.peaks (0.80, 1.80, 31.29 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 126 + HB2 ARG 124 OK 93 96 - 96 - 2.1/9482=24...(37) QG1 VAL 80 + HB2 ARG 124 OK 55 100 - 55 - 9490/4.6=11, 9954/3.0=10...(12) QD1 LEU 79 - HB2 ARG 124 OK 43 62 - 69 - ~8735=10, 10677/3.0=9...(24) QG2 THR 74 - HB2 ARG 124 OK 18 72 - 25 - 4.0/4212=6, 9484/1.8=4...(10) Peak 9482 from cnoeabs.peaks (0.64, 1.80, 31.29 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 126 + HB2 ARG 124 OK 95 96 - 98 - 11072/3.0=28...(36) QD2 LEU 64 - HB2 ARG 124 OK 27 77 - 35 - 11071/3.0=8, 11072/3.0=8...(11) Peak 9483 from cnoeabs.peaks (0.63, 1.97, 31.29 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 126 + HB3 ARG 124 OK 90 92 - 98 - 10259/3.0=24...(37) QD2 LEU 79 + HB3 ARG 124 OK 67 85 - 79 - 9483=11, 9478/3.8=9...(29) QD2 LEU 64 + HB3 ARG 124 OK 46 100 - 46 - 9483=9, 11071/3.0=6...(12) Peak 9484 from cnoeabs.peaks (0.80, 1.97, 31.29 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.99: QD2 LEU 126 + HB3 ARG 124 OK 95 96 - 98 - 2.1/11081=26...(36) QG1 VAL 80 + HB3 ARG 124 OK 67 100 - 67 - 9490/4.6=14, 9481/1.8=12...(14) QD1 LEU 79 + HB3 ARG 124 OK 45 62 - 73 - 2.1/9483=13...(23) QG2 THR 74 - HB3 ARG 124 OK 28 72 - 39 - 4.0/4221=8, 4.3/6796=6...(13) Peak 9486 from cnoeabs.peaks (4.16, 3.30, 41.21 ppm; 5.20 A): 5 out of 11 assignments used, quality = 0.91: HA LEU 126 + HD2 ARG 124 OK 71 94 - 76 - 4.0/10254=20...(15) HA3 GLY 125 + HD2 ARG 124 OK 36 100 - 36 - ~4230=11, ~4239=11...(7) HA TRP 88 + HD2 ARG 124 OK 29 68 - 42 - 3.0/2841=8, 3.0/7016=6...(11) HA LYS 76 + HD2 ARG 124 OK 22 99 - 22 - ~10679=6, 2.9/11074=4...(7) HG1 THR 74 + HD2 ARG 124 OK 12 68 - 18 - 3.0/9477=4, ~9479=3...(7) HA GLU 131 - HD2 ARG 124 poor 8 72 - 11 - 10289/5.2=3, 9486=2 HA LEU 64 - HD2 ARG 124 poor 7 62 - 12 - 4.0/9478=6, 11023/3.8=1 HA GLU 120 - HD2 ARG 124 lone 5 94 - 5 - 4013/11074=1 HB3 SER 44 - HD2 ARG 124 lone 4 99 - 4 - HB2 SER 44 - HD2 ARG 124 lone 4 99 - 4 - HA PHE 38 - HD2 ARG 124 lone 2 72 - 2 - Peak 9492 from cnoeabs.peaks (3.71, 0.64, 24.26 ppm; 3.90 A): 3 out of 5 assignments used, quality = 0.89: HB THR 74 + QD1 LEU 126 OK 84 99 - 85 - 8605=33, 3.0/9493=29...(25) HA LEU 108 + QD1 LEU 126 OK 18 85 - 21 - 4.9/9272=6, 11017=3...(7) HA ILE 136 + QD1 LEU 126 OK 17 99 - 17 - 6781/9496=2, 3.7/10257=2...(6) HA ILE 91 - QD1 LEU 126 lone 7 85 - 8 - 9928/11376=2...(3) HA THR 107 - QD1 LEU 126 lone 7 100 - 7 - Peak 9493 from cnoeabs.peaks (3.39, 0.64, 24.26 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.77: HA THR 74 + QD1 LEU 126 OK 77 89 - 86 - 9493=25, 3.0/9492=22...(30) Peak 9494 from cnoeabs.peaks (2.30, 0.64, 24.26 ppm; 3.99 A): 4 out of 5 assignments used, quality = 0.66: HG2 GLU 120 + QD1 LEU 126 OK 30 99 - 30 - 10340/4.7=7, 11604/3.1=5...(8) HG3 GLU 81 + QD1 LEU 126 OK 30 92 - 32 - 9969/2.1=8, 8771/10258=5...(8) HG3 GLU 75 + QD1 LEU 126 OK 24 96 - 25 - 9989/2.1=6, 3.0/9495=5...(7) HG3 GLN 62 + QD1 LEU 126 OK 10 99 - 10 - 3.5/4298=4, 10340/4.7=2, ~8759=1 HG2 GLN 62 - QD1 LEU 126 poor 10 94 - 10 - 3.5/4298=4, 10340/4.7=1...(4) Peak 9495 from cnoeabs.peaks (1.97, 0.64, 24.26 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.97: HB3 ARG 124 + QD1 LEU 126 OK 97 100 - 97 - 3.0/10259=24...(37) HB3 GLU 75 - QD1 LEU 126 OK 30 98 - 31 - 3.0/9494=8, 11081/2.1=6...(11) HB2 GLU 142 - QD1 LEU 126 OK 21 72 - 29 - ~10680=5, 11081/2.1=4...(8) HB3 MET 11 - QD1 LEU 126 OK 15 89 - 17 - 4225/11071=2...(9) HB2 LYS 34 - QD1 LEU 126 OK 15 92 - 16 - 8098/4739=3, 11081/2.1=2...(7) HB2 LYS 61 - QD1 LEU 126 lone 2 68 - 3 - Peak 9496 from cnoeabs.peaks (8.24, 0.64, 24.26 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.76: H GLY 125 + QD1 LEU 126 OK 76 89 - 85 - 3.6/10259=24...(20) H THR 102 - QD1 LEU 126 lone 2 96 - 2 - Peak 9497 from cnoeabs.peaks (8.33, 0.64, 24.26 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.80: H GLY 78 + QD1 LEU 126 OK 80 92 - 87 - 3.0/10256=28...(16) H ASP 13 - QD1 LEU 126 lone 4 68 - 6 - Peak 9501 from cnoeabs.peaks (2.46, 3.84, 64.70 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.72: HB3 GLU 131 + HB2 SER 127 OK 65 99 - 66 - 9502/1.8=33...(6) HG3 GLU 28 + HB2 SER 127 OK 19 100 - 19 - 9502/1.8=10, ~10262=4 HB2 ASP 65 - HB2 SER 127 lone 4 62 - 6 - 9502/1.8=1 Peak 9502 from cnoeabs.peaks (2.46, 3.99, 64.70 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.66: HB3 GLU 131 + HB3 SER 127 OK 58 99 - 59 - 9501/1.8=27, 9498/4.7=16...(6) HG3 GLU 28 + HB3 SER 127 OK 17 100 - 17 - 9501/1.8=8, 3.0/10262=5...(4) HB2 ASP 65 - HB3 SER 127 lone 2 62 - 4 - 9501/1.8=1 Peak 9503 from cnoeabs.peaks (2.60, 5.26, 50.43 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.74: HB3 PRO 129 + HA ASN 128 OK 62 62 - 99 - 3.0/4347=43, 3.0/4349=43...(29) HB2 GLU 120 + HA ASN 128 OK 31 100 - 31 - 4353/3.8=9, 4361/3.8=9...(6) Peak 9504 from cnoeabs.peaks (2.27, 5.26, 50.43 ppm; 4.29 A): 2 out of 7 assignments used, quality = 1.00: HG3 PRO 129 + HA ASN 128 OK 99 100 - 99 - 9528=50, 2.3/4347=45...(32) HG2 GLU 131 + HA ASN 128 OK 75 85 - 87 - ~9518=15, ~9565=12...(26) HB3 MET 113 - HA ASN 128 OK 30 94 - 32 - 4355/3.8=4, 4363/3.8=4...(14) HG3 GLU 142 - HA ASN 128 OK 29 85 - 34 - 10395/2.9=7, 9519/3.0=4...(13) HG3 GLU 90 - HA ASN 128 OK 27 94 - 28 - 9504=4, 4363/3.8=4...(14) HG2 GLU 90 - HA ASN 128 OK 22 89 - 25 - 4363/3.8=3, 4355/3.8=3...(11) HG2 MET 113 - HA ASN 128 OK 19 72 - 27 - 9504=3, 4355/3.8=3...(14) Peak 9505 from cnoeabs.peaks (2.08, 5.26, 50.43 ppm; 4.63 A): 2 out of 10 assignments used, quality = 1.00: HB2 PRO 129 + HA ASN 128 OK 99 100 - 99 - 3.0/4347=43, 3.0/4349=43...(30) HB2 GLU 131 + HA ASN 128 OK 85 92 - 92 - 11644/2.9=21, ~9517=19...(29) HB3 GLN 62 - HA ASN 128 OK 27 85 - 32 - 4352/3.8=5, 4360/3.8=5...(13) HB3 LYS 61 - HA ASN 128 OK 23 98 - 24 - 4360/3.8=4, 4352/3.8=4...(10) HG3 PRO 33 - HA ASN 128 OK 20 85 - 23 - 9515/3.0=2, ~9518=2...(11) HD2 ARG 49 - HA ASN 128 OK 19 92 - 21 - 4352/3.8=4, 4360/3.8=4...(9) HB3 LYS 36 - HA ASN 128 OK 11 77 - 15 - 10612=9, 9500/2.9=2, 9512/4.6=1 HB2 LEU 26 - HA ASN 128 OK 11 96 - 11 - 4360/3.8=2, 4352/3.8=2...(4) HG2 GLU 122 - HA ASN 128 OK 10 100 - 10 - 4368/4.8=1, 4352/3.8=1...(6) HG2 PRO 118 - HA ASN 128 OK 10 92 - 11 - 1.8/10263=5 Peak 9506 from cnoeabs.peaks (3.93, 2.79, 39.64 ppm; 3.35 A): 2 out of 5 assignments used, quality = 0.97: HD2 PRO 129 + HB2 ASN 128 OK 85 89 - 96 - 4.8=33, 4347/3.0=22...(37) HD3 PRO 129 + HB2 ASN 128 OK 78 81 - 95 - 4.8=33, 4349/3.0=18...(37) HA LYS 86 - HB2 ASN 128 OK 25 100 - 25 - 4350/3.0=6, 4357/4.8=4...(8) HA2 GLY 143 - HB2 ASN 128 OK 20 100 - 20 - 4348/3.0=6, 4364/4.8=5...(7) HA LEU 29 - HB2 ASN 128 lone 7 85 - 9 - 4350/3.0=3, 9507/1.8=1...(4) Peak 9507 from cnoeabs.peaks (3.94, 2.99, 39.64 ppm; 3.19 A): 2 out of 5 assignments used, quality = 0.97: HD3 PRO 129 + HB3 ASN 128 OK 91 96 - 95 - 4.8=29, 4349/3.0=22...(38) HD2 PRO 129 + HB3 ASN 128 OK 63 68 - 93 - 4.8=29, 9506/1.8=15...(37) HA LYS 86 - HB3 ASN 128 OK 23 99 - 24 - 4350/3.0=5, 3.0/10272=4...(9) HA2 GLY 143 - HB3 ASN 128 OK 18 100 - 19 - 4348/3.0=5, 4364/4.8=4...(5) HA LEU 29 - HB3 ASN 128 lone 8 98 - 8 - 4350/3.0=3, 4357/4.8=1 Peak 9515 from cnoeabs.peaks (2.07, 2.99, 39.64 ppm; 4.70 A): 2 out of 10 assignments used, quality = 0.99: HB2 PRO 129 + HB3 ASN 128 OK 99 99 - 100 - 4.1/10539=24, ~9528=22...(39) HB2 GLU 131 + HB3 ASN 128 OK 65 68 - 96 - 1.8/9517=34...(30) HB3 GLN 62 - HB3 ASN 128 OK 32 99 - 32 - 4352/4.8=4, 4360/4.8=4...(15) HB3 LYS 61 - HB3 ASN 128 OK 22 100 - 22 - 4360/4.8=3, 4352/4.8=3...(9) HD2 ARG 49 - HB3 ASN 128 OK 14 100 - 14 - 4352/4.8=3, 4360/4.8=3...(5) HG2 GLU 122 - HB3 ASN 128 OK 10 98 - 10 - 10323/3.4=1, 4360/4.8=1...(5) HB2 LEU 26 - HB3 ASN 128 lone 7 100 - 7 - 4360/4.8=1, 4352/4.8=1 HG2 PRO 118 - HB3 ASN 128 lone 5 68 - 7 - ~10263=3 HG3 PRO 98 - HB3 ASN 128 lone 2 62 - 2 - ~10145=1 HA ARG 35 - HB3 ASN 128 lone 1 62 - 1 - Peak 9516 from cnoeabs.peaks (2.28, 2.99, 39.64 ppm; 4.63 A): 2 out of 9 assignments used, quality = 0.99: HG2 GLU 131 + HB3 ASN 128 OK 95 100 - 95 - 2.9/9517=28, ~9518=22...(27) HG3 PRO 129 + HB3 ASN 128 OK 72 72 - 100 - ~4347=25, ~4349=25...(40) HG3 GLU 142 - HB3 ASN 128 OK 43 100 - 44 - 10395/3.9=9, 9519/1.8=8...(16) HG2 GLN 62 - HB3 ASN 128 OK 26 77 - 33 - 9511/3.4=4, 2.9/9515=4...(15) HB3 MET 113 - HB3 ASN 128 OK 25 98 - 25 - 1.8/10272=5, 9519/1.8=4...(10) HG2 GLU 90 - HB3 ASN 128 OK 19 100 - 19 - 9519/1.8=3, ~9504=2...(9) HG3 GLN 62 - HB3 ASN 128 OK 19 62 - 31 - 2.9/9515=4, 9514/3.4=4...(15) HG3 GLU 81 - HB3 ASN 128 lone 7 81 - 8 - ~10263=2, 8790/2492=2 HG3 GLU 75 - HB3 ASN 128 lone 4 72 - 6 - Peak 9517 from cnoeabs.peaks (2.46, 2.99, 39.64 ppm; 4.78 A): 1 out of 3 assignments used, quality = 0.95: HB3 GLU 131 + HB3 ASN 128 OK 95 99 - 96 - 4.0/10357=23...(31) HG3 GLU 28 - HB3 ASN 128 OK 12 100 - 12 - 9518/1.8=3, 9498/3.9=3 HB2 ASP 65 - HB3 ASN 128 lone 1 62 - 1 - Peak 9518 from cnoeabs.peaks (2.45, 2.79, 39.64 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLU 131 + HB2 ASN 128 OK 92 96 - 96 - 9517/1.8=25, 2.9/9565=21...(31) HG3 GLU 131 + HB2 ASN 128 OK 92 96 - 96 - 9565=24, 1.8/9519=21...(30) HB3 PRO 33 - HB2 ASN 128 OK 13 72 - 17 - 2.3/10264=3, 9510/3.4=3...(9) HG3 GLU 28 - HB2 ASN 128 OK 11 94 - 11 - 9517/1.8=3, 9498/3.9=3...(4) HG2 MET 11 - HB2 ASN 128 lone 4 94 - 4 - Peak 9519 from cnoeabs.peaks (2.27, 2.79, 39.64 ppm; 4.47 A): 2 out of 7 assignments used, quality = 0.99: HG2 GLU 131 + HB2 ASN 128 OK 91 100 - 91 - 1.8/9518=28, ~9517=18...(24) HG3 PRO 129 + HB2 ASN 128 OK 88 89 - 99 - 2.3/9526=28, 9528/3.0=27...(37) HG3 GLU 142 - HB2 ASN 128 OK 39 100 - 39 - 10395/3.9=8, 9516/1.8=6...(15) HB3 MET 113 - HB2 ASN 128 OK 23 100 - 23 - 9516/1.8=3, ~10272=3...(10) HG2 GLU 90 - HB2 ASN 128 OK 18 100 - 18 - 9516/1.8=3, 4363/4.8=2...(8) HG3 GLU 90 - HB2 ASN 128 OK 11 62 - 17 - 4363/4.8=2, 4355/4.8=2...(8) HG3 GLU 81 - HB2 ASN 128 lone 3 62 - 5 - ~10263=2 Peak 9520 from cnoeabs.peaks (0.90, 3.84, 64.70 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.83: QG2 VAL 80 + HB2 SER 127 OK 80 92 - 87 - 9521/1.8=41...(11) QG1 VAL 63 + HB2 SER 127 OK 15 98 - 16 - 10365/4.0=3...(5) QD2 LEU 29 - HB2 SER 127 poor 8 72 - 12 - 4.8/8078=2, 9558/9501=2...(4) QG1 VAL 53 - HB2 SER 127 lone 7 99 - 7 - 9523/4.7=2 Peak 9521 from cnoeabs.peaks (0.89, 3.99, 64.70 ppm; 4.46 A): 4 out of 5 assignments used, quality = 0.95: QG2 VAL 80 + HB3 SER 127 OK 84 99 - 85 - 9951=38, 9520/1.8=22...(12) QG2 ILE 136 + HB3 SER 127 OK 40 94 - 43 - 9520/1.8=9, 10331=6...(12) QD1 ILE 101 + HB3 SER 127 OK 29 99 - 29 - 9179=7, 9520/1.8=5...(9) QG2 ILE 101 + HB3 SER 127 OK 23 94 - 24 - 9520/1.8=5, 3.1/9179=4...(6) QD1 LEU 97 - HB3 SER 127 lone 7 89 - 8 - 9520/1.8=2, 9155/10159=1 Peak 9524 from cnoeabs.peaks (0.86, 2.79, 39.64 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.24: HB3 LEU 42 - HB2 ASN 128 OK 24 99 - 24 - 3.2/8148=8, 3.8/6310=6...(5) QD1 LEU 64 - HB2 ASN 128 lone 9 98 - 10 - 2.1/9844=2, 1848/3.9=2 QG2 ILE 83 - HB2 ASN 128 poor 9 89 - 10 - 10006=2, 10363/4683=2 QG2 ILE 56 - HB2 ASN 128 lone 7 100 - 7 - 10135/8289=2 Peak 9525 from cnoeabs.peaks (2.97, 3.94, 50.80 ppm; 3.67 A): 4 out of 5 assignments used, quality = 0.90: HB3 ASN 128 + HD3 PRO 129 OK 76 77 - 98 - 4.8=44, 3.0/4349=30...(38) HB2 ASP 30 + HD3 PRO 129 OK 27 98 - 27 - 9527/2.3=6, 10284/3.0=5...(11) HA VAL 71 + HD3 PRO 129 OK 25 100 - 25 - 9527/2.3=7, 10275/1.8=6...(7) HA VAL 82 + HD3 PRO 129 OK 21 89 - 23 - 10275/1.8=5, 4332/3.8=4...(8) HB3 TYR 27 - HD3 PRO 129 lone 8 99 - 8 - 9527/2.3=3, 10284/3.0=2 Peak 9526 from cnoeabs.peaks (2.80, 3.94, 50.80 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.99: HB2 ASN 128 + HD3 PRO 129 OK 99 100 - 99 - 4.8=53, 3.0/4349=34...(37) HB3 ASN 139 - HD3 PRO 129 OK 31 98 - 32 - 10369/1.8=8, ~10382=6...(9) HB3 ASP 41 - HD3 PRO 129 OK 16 100 - 16 - 10369/1.8=4, 4331/3.8=4...(6) Peak 9527 from cnoeabs.peaks (2.97, 2.26, 27.79 ppm; 4.73 A): 4 out of 6 assignments used, quality = 0.67: HA VAL 71 + HG3 PRO 129 OK 36 98 - 37 - 9525/2.3=15, 10284/2.3=9...(5) HB2 ASP 30 + HG3 PRO 129 OK 30 81 - 36 - 9525/2.3=14, 10284/2.3=8...(10) HA VAL 82 + HG3 PRO 129 OK 15 62 - 23 - 10275/2.3=6, 9525/2.3=6...(6) HB3 TYR 27 + HG3 PRO 129 OK 14 100 - 14 - 9525/2.3=6, 10284/2.3=5 HB2 PHE 106 - HG3 PRO 129 lone 4 62 - 7 - HB3 PHE 67 - HG3 PRO 129 lone 1 62 - 1 - Peak 9528 from cnoeabs.peaks (5.26, 2.26, 27.79 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.98: HA ASN 128 + HG3 PRO 129 OK 98 100 - 99 - 4347/2.3=44, 4349/2.3=44...(31) Peak 9529 from cnoeabs.peaks (5.26, 2.17, 27.79 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 128 + HG2 PRO 129 OK 99 100 - 99 - 4347/2.3=46, 4349/2.3=46...(31) Peak 9530 from cnoeabs.peaks (6.55, 2.59, 31.98 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.81: QE TYR 117 + HB3 PRO 129 OK 77 92 - 83 - 9530=50, 9532/2.3=32...(6) HE22 GLN 22 + HB3 PRO 129 OK 18 100 - 18 - 9531/2.3=10, 9532/2.3=7 Peak 9531 from cnoeabs.peaks (6.55, 2.17, 27.79 ppm; 4.74 A): 2 out of 2 assignments used, quality = 0.53: QE TYR 117 + HG2 PRO 129 OK 43 72 - 59 - 9530/2.3=35, 9532/1.8=30 HE22 GLN 22 + HG2 PRO 129 OK 18 100 - 18 - 9530/2.3=7, 9532/1.8=5, 11284=5 Peak 9532 from cnoeabs.peaks (6.56, 2.26, 27.79 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.72: QE TYR 117 + HG3 PRO 129 OK 67 100 - 68 - 9530/2.3=36, 9531/1.8=28...(9) HE22 GLN 22 + HG3 PRO 129 OK 15 92 - 16 - 9531/1.8=8, 9530/2.3=7 Peak 9533 from cnoeabs.peaks (6.99, 4.57, 55.90 ppm; 4.26 A): 3 out of 6 assignments used, quality = 0.87: HD22 ASN 130 + HA ASN 130 OK 72 72 - 99 - 4.4=88, 1.7/7632=38...(12) HD22 ASN 128 + HA ASN 130 OK 35 72 - 48 - ~10539=11, ~10356=10...(10) HD2 HIS 10 + HA ASN 130 OK 31 89 - 35 - 4775=29, 10305/10287=5...(4) QE PHE 43 - HA ASN 130 lone 4 89 - 4 - 7627/2.9=1 HZ PHE 67 - HA ASN 130 lone 2 81 - 3 - HH2 TRP 17 - HA ASN 130 lone 2 89 - 2 - Peak 9539 from cnoeabs.peaks (2.44, 2.82, 37.39 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.89: HG3 GLU 131 + HB2 ASN 130 OK 61 98 - 62 - 5.0/4423=21, 9542/1.8=13...(13) HB3 PRO 33 + HB2 ASN 130 OK 49 100 - 50 - 9542/1.8=22, 2.3/9541=16...(7) HG2 GLN 133 + HB2 ASN 130 OK 46 62 - 74 - 4.5/10389=18...(14) HG2 MET 11 - HB2 ASN 130 lone 9 99 - 9 - 9542/1.8=4, 7653/4.7=1 HG2 GLN 47 - HB2 ASN 130 poor 9 81 - 10 - 8179/3.0=3, ~8179=2...(4) HG3 GLN 47 - HB2 ASN 130 poor 9 81 - 10 - 8179/3.0=3, ~8179=2...(4) HG2 MET 68 - HB2 ASN 130 lone 5 96 - 5 - 9542/1.8=2 Peak 9540 from cnoeabs.peaks (2.26, 2.82, 37.39 ppm; 6.80 A): 6 out of 7 assignments used, quality = 0.94: HG3 PRO 129 + HB2 ASN 130 OK 65 100 - 65 - 10379/4.0=34, 10382=22...(9) HG2 GLU 131 + HB2 ASN 130 OK 60 77 - 78 - 5.0/4423=38, ~9542=17...(11) HG3 GLU 142 + HB2 ASN 130 OK 37 77 - 47 - 3.0/9541=10, 7652/4.7=9...(10) HB3 MET 113 + HB2 ASN 130 OK 13 89 - 14 - 7620/4.0=4, 7652/4.7=2...(4) HG3 GLU 90 + HB2 ASN 130 OK 12 98 - 12 - 7620/4.0=4, ~9543=2, ~9543=2 HG2 GLU 90 + HB2 ASN 130 OK 11 81 - 13 - 7620/4.0=3, 9543/1.8=2...(4) HG2 MET 113 - HB2 ASN 130 lone 8 81 - 10 - ~9543=2, 7620/4.0=2, ~9543=2 Peak 9541 from cnoeabs.peaks (2.11, 2.82, 37.39 ppm; 4.74 A): 3 out of 5 assignments used, quality = 0.55: HG2 PRO 33 + HB2 ASN 130 OK 35 77 - 46 - ~9542=17, 9544/1.8=12...(7) HB VAL 53 + HB2 ASN 130 OK 18 68 - 26 - 3.9/4417=7, 9544/1.8=7...(7) HB3 GLU 142 + HB2 ASN 130 OK 15 62 - 24 - 9544/1.8=6, 4.0/4423=5...(7) HB VAL 73 - HB2 ASN 130 lone 5 94 - 6 - 10689/10481=2, 9544/1.8=1 HB2 GLU 75 - HB2 ASN 130 lone 4 89 - 4 - 10689/10481=3 Peak 9542 from cnoeabs.peaks (2.44, 2.94, 37.39 ppm; 4.78 A): 3 out of 6 assignments used, quality = 0.88: HG3 GLU 131 + HB3 ASN 130 OK 61 100 - 61 - 5.0/4430=22, 9539/1.8=13...(11) HB3 GLU 131 + HB3 ASN 130 OK 45 77 - 58 - 4.0/4430=28, 9545/4.0=13...(10) HB3 PRO 33 + HB3 ASN 130 OK 44 94 - 47 - 9539/1.8=12, ~9541=12...(8) HG2 MET 11 - HB3 ASN 130 lone 8 100 - 8 - 9539/1.8=2, 9545/4.0=1 HG3 GLU 28 - HB3 ASN 130 poor 8 72 - 10 - 8049=4, 1.8/8050=2...(4) HG2 MET 68 - HB3 ASN 130 lone 3 81 - 4 - 9539/1.8=1 Peak 9543 from cnoeabs.peaks (2.27, 2.94, 37.39 ppm; 5.87 A): 5 out of 7 assignments used, quality = 0.93: HG2 GLU 131 + HB3 ASN 130 OK 71 100 - 71 - 5.0/4430=31, 1.8/9542=18...(10) HG3 PRO 129 + HB3 ASN 130 OK 51 89 - 57 - 10379/4.0=23...(9) HG3 GLU 142 + HB3 ASN 130 OK 42 100 - 43 - 7652/4.7=10, 3.0/9544=9...(9) HB3 MET 113 + HB3 ASN 130 OK 12 100 - 11 - 7620/4.0=3, 7652/4.7=3 HG2 GLU 90 + HB3 ASN 130 OK 10 100 - 10 - 7620/4.0=3, 7652/4.7=2...(5) HG3 GLU 90 - HB3 ASN 130 lone 5 62 - 8 - 7620/4.0=3, ~9540=1, 9540/1.8=1 HG3 GLU 81 - HB3 ASN 130 lone 4 62 - 6 - Peak 9544 from cnoeabs.peaks (2.11, 2.94, 37.39 ppm; 5.59 A): 3 out of 6 assignments used, quality = 0.79: HG2 PRO 33 + HB3 ASN 130 OK 55 94 - 59 - 2.3/9542=29, 9541/1.8=21...(5) HB VAL 53 + HB3 ASN 130 OK 32 89 - 36 - 9541/1.8=11, 3.9/4424=8...(7) HB3 GLU 142 + HB3 ASN 130 OK 30 85 - 35 - 9541/1.8=9, 3.0/9543=7...(8) HB VAL 73 - HB3 ASN 130 lone 6 77 - 7 - 9541/1.8=3, ~9921=1 HB3 GLN 25 - HB3 ASN 130 lone 5 81 - 6 - 9541/1.8=2, 461/9542=1 HB2 GLU 75 - HB3 ASN 130 lone 3 68 - 5 - 9541/1.8=2 Peak 9554 from cnoeabs.peaks (0.81, 4.14, 58.26 ppm; 4.64 A): 3 out of 3 assignments used, quality = 0.72: QG1 VAL 80 + HA GLU 131 OK 55 68 - 82 - 10404/3.0=19...(17) QD1 LEU 95 + HA GLU 131 OK 26 96 - 27 - 9553/3.0=11, 10404/3.0=5...(7) HG LEU 42 + HA GLU 131 OK 16 98 - 16 - 9553/3.0=7, 10404/3.0=3...(6) Peak 9555 from cnoeabs.peaks (0.90, 4.14, 58.26 ppm; 4.76 A): 3 out of 7 assignments used, quality = 0.94: QG2 VAL 80 + HA GLU 131 OK 86 100 - 86 - 2.1/9554=22, 9958/3.0=20...(16) QD1 ILE 101 + HA GLU 131 OK 39 85 - 46 - 10405/3.0=7, 9552/3.0=6...(13) QG2 ILE 101 + HA GLU 131 OK 28 72 - 39 - 9552/3.0=6, 10405/3.0=5...(12) QG1 VAL 63 - HA GLU 131 OK 24 81 - 29 - 10291/3.0=8, 10937/3.0=7...(6) QG1 VAL 53 - HA GLU 131 OK 18 85 - 22 - 9548/3.6=9, 10291/3.0=3...(5) QG2 ILE 136 - HA GLU 131 poor 7 72 - 10 - 9563/4.2=2, 9552/3.0=2...(4) QD1 LEU 97 - HA GLU 131 poor 7 62 - 10 - 9552/3.0=3, 9563/4.2=1...(4) Peak 9556 from cnoeabs.peaks (1.51, 2.45, 30.00 ppm; 5.55 A): 4 out of 7 assignments used, quality = 0.73: HB2 GLU 122 + HB3 GLU 131 OK 35 100 - 35 - 9550/4.0=12, 4069/1.8=3...(13) QB ALA 135 + HB3 GLU 131 OK 33 62 - 54 - ~10391=22, 10320=16...(7) HG2 LYS 34 + HB3 GLU 131 OK 24 89 - 27 - 9556=9, 9550/4.0=7...(7) HG3 LYS 85 + HB3 GLU 131 OK 17 77 - 23 - 3.5/9569=5, 3.5/9569=5...(5) HD3 LYS 114 - HB3 GLU 131 poor 10 57 - 17 - 9550/4.0=5, 9556=4...(5) HB2 LYS 123 - HB3 GLU 131 lone 6 92 - 7 - 9556=2, 9550/4.0=2 HG3 PRO 57 - HB3 GLU 131 lone 5 85 - 5 - 9556=1 Peak 9557 from cnoeabs.peaks (0.80, 2.45, 30.00 ppm; 4.49 A): 4 out of 4 assignments used, quality = 0.95: QG1 VAL 80 + HB3 GLU 131 OK 87 98 - 89 - 10404/1.8=25...(22) QD2 LEU 126 + HB3 GLU 131 OK 40 81 - 49 - 10404/1.8=9, 9562/2.9=7...(20) QD1 LEU 95 + HB3 GLU 131 OK 23 62 - 38 - 10404/1.8=7, 9554/3.0=6...(14) HG LEU 42 + HB3 GLU 131 OK 12 68 - 18 - 9554/3.0=4, 9553/4.0=4...(6) Peak 9558 from cnoeabs.peaks (0.91, 2.45, 30.00 ppm; 5.28 A): 4 out of 5 assignments used, quality = 0.95: QG2 VAL 80 + HB3 GLU 131 OK 69 72 - 95 - 2.1/9557=25, ~10404=22...(25) QD2 LEU 29 + HB3 GLU 131 OK 60 92 - 65 - 10291/1.8=18...(14) QG1 VAL 63 + HB3 GLU 131 OK 45 100 - 44 - 10937=14, 10291/1.8=8...(8) QG1 VAL 53 + HB3 GLU 131 OK 24 100 - 23 - 9548/4.6=9, 10291/1.8=2...(7) HB2 LEU 64 - HB3 GLU 131 poor 10 77 - 13 - 3.8/10394=3, 10291/1.8=2...(4) Peak 9559 from cnoeabs.peaks (0.79, 2.27, 36.81 ppm; 3.75 A): 4 out of 10 assignments used, quality = 0.74: QG1 VAL 80 + HG2 GLU 131 OK 54 85 - 64 - 9990/1.8=14, ~8750=12...(16) QD2 LEU 126 + HG2 GLU 131 OK 27 99 - 28 - 9990/1.8=7, 2.1/10406=6...(7) QD2 LEU 126 + HG3 GLU 142 OK 12 63 - 20 - ~11582=4, 2.1/10406=2...(7) QD2 LEU 95 + HG2 GLU 131 OK 12 89 - 13 - 9076/1.8=3, ~10404=2...(6) QD1 LEU 79 - HG2 GLU 131 lone 9 98 - 9 - 9562/1.8=2, 9554/4.2=1 QG2 THR 74 - HG2 GLU 131 lone 7 100 - 7 - 9562/1.8=1, 9554/4.2=1 QG1 VAL 80 - HG3 GLU 142 lone 4 50 - 8 - 9990/4465=1, 2.1/8751=1 QD1 LEU 79 - HG3 GLU 142 lone 4 62 - 6 - ~8735=2 QG2 THR 74 - HG3 GLU 142 lone 2 65 - 3 - QD2 LEU 95 - HG3 GLU 142 lone 1 53 - 2 - Peak 9561 from cnoeabs.peaks (1.49, 2.44, 36.81 ppm; 6.41 A): 3 out of 5 assignments used, quality = 0.96: HB3 LEU 29 + HG3 GLU 131 OK 70 100 - 70 - 10531/2.9=18, ~10291=13...(13) QB ALA 134 + HG3 GLU 131 OK 66 85 - 77 - 4574/4.2=27, 9661/5.0=24...(8) HG13 ILE 101 + HG3 GLU 131 OK 59 100 - 59 - ~10131=11, 2.1/9563=10...(12) HG2 LYS 34 - HG3 GLU 131 OK 24 85 - 28 - 9556/2.9=10, 9550/5.0=5...(7) HD3 LYS 114 - HG3 GLU 131 OK 21 100 - 21 - 9550/5.0=3, ~9567=3...(6) Peak 9562 from cnoeabs.peaks (0.80, 2.44, 36.81 ppm; 5.53 A): 2 out of 4 assignments used, quality = 0.97: QG1 VAL 80 + HG3 GLU 131 OK 93 100 - 93 - 2.1/8750=27, 9990=26...(22) QD2 LEU 126 + HG3 GLU 131 OK 52 96 - 54 - 9562=13, 9557/2.9=10...(11) QD1 LEU 79 - HG3 GLU 131 OK 14 62 - 22 - 9562=5, 9559/1.8=2...(6) QG2 THR 74 - HG3 GLU 131 OK 11 72 - 14 - 9562=3, 9559/1.8=2...(6) Peak 9565 from cnoeabs.peaks (2.80, 2.44, 36.81 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.98: HB2 ASN 128 + HG3 GLU 131 OK 98 99 - 99 - 9565=37, ~9517=28...(34) HB3 ASN 139 - HG3 GLU 131 OK 13 100 - 13 - 9565=5, 7599/10396=2...(4) HB3 ASP 41 - HG3 GLU 131 OK 11 100 - 11 - 9565=4, 7599/10396=1...(4) Peak 9566 from cnoeabs.peaks (2.96, 2.44, 36.81 ppm; 5.25 A): 8 out of 10 assignments used, quality = 0.79: HE2 LYS 85 + HG3 GLU 131 OK 24 96 - 25 - 9569/2.9=5, ~9569=4...(8) HE2 LYS 48 + HG3 GLU 131 OK 20 99 - 21 - 9568/1.8=4, 9569/2.9=4...(6) HE3 LYS 85 + HG3 GLU 131 OK 20 81 - 24 - 9569/2.9=5, ~9569=4...(8) HE3 LYS 48 + HG3 GLU 131 OK 19 92 - 21 - ~9568=5, 9569/2.9=4...(6) HE2 LYS 93 + HG3 GLU 131 OK 18 98 - 18 - 9569/2.9=4, 9568/1.8=3...(6) HB3 PHE 67 + HG3 GLU 131 OK 15 100 - 15 - 3.7/8401=7, 9569/2.9=3...(4) HB2 PHE 106 + HG3 GLU 131 OK 15 100 - 15 - 9569/2.9=3, 9568/1.8=3...(5) HE3 LYS 93 + HG3 GLU 131 OK 10 62 - 17 - ~9568=4, 9569/2.9=3...(6) HB2 TYR 115 - HG3 GLU 131 lone 9 99 - 9 - 9569/2.9=2, 9566=1, 9568/1.8=1 HB3 TYR 27 - HG3 GLU 131 lone 5 68 - 7 - 4.7/6112=2, 9568/1.8=1 Peak 9567 from cnoeabs.peaks (2.75, 2.27, 36.81 ppm; 5.33 A): 5 out of 18 assignments used, quality = 0.65: HG3 MET 113 + HG2 GLU 131 OK 26 98 - 26 - ~4465=3, ~4465=2, 3717=2...(12) HG3 MET 113 + HG3 GLU 142 OK 25 62 - 40 - 3720/3.0=4, ~3712=3...(18) HE2 LYS 76 + HG2 GLU 131 OK 17 99 - 17 - 5.1/10406=5, 6.2/4455=3...(4) HE3 LYS 76 + HG2 GLU 131 OK 15 92 - 16 - 5.1/10406=5, 6.2/4455=3 HE2 LYS 114 + HG2 GLU 131 OK 13 98 - 13 - ~9556=2, ~9561=2...(5) HB3 ASP 137 - HG2 GLU 131 lone 8 92 - 9 - 9707/9639=5 HE2 LYS 76 - HG3 GLU 142 lone 5 63 - 7 - HE3 LYS 76 - HG3 GLU 142 lone 4 55 - 7 - HB3 PHE 43 - HG2 GLU 131 lone 4 92 - 4 - 9641/9639=2 HE2 LYS 114 - HG3 GLU 142 lone 3 62 - 5 - HB3 ASP 40 - HG2 GLU 131 lone 3 100 - 3 - HB2 ASN 54 - HG3 GLU 142 lone 3 63 - 4 - ~11659=2 HB3 ASP 137 - HG3 GLU 142 lone 2 55 - 4 - 9707/9639=1 HB2 ASN 54 - HG2 GLU 131 lone 2 99 - 2 - HB2 ASN 96 - HG2 GLU 131 lone 2 57 - 3 - HB3 ASP 40 - HG3 GLU 142 lone 1 66 - 2 - HB3 PHE 43 - HG3 GLU 142 lone 1 55 - 2 - HB2 ASN 96 - HG3 GLU 142 lone 1 31 - 4 - 10123/4.0=2 Peak 9568 from cnoeabs.peaks (2.97, 2.27, 36.81 ppm; 5.61 A): 0 out of 16 assignments used, low quality = 0.42: HA VAL 71 - HG2 GLU 131 OK 24 94 - 26 - ~10396=6, ~11644=5...(5) HE2 LYS 48 - HG2 GLU 131 OK 14 68 - 21 - ~9566=4, 9566/1.8=4...(7) HE2 LYS 93 - HG2 GLU 131 OK 11 62 - 17 - 9566/1.8=4, 9569/2.9=2...(7) HB2 PHE 106 - HG2 GLU 131 poor 9 72 - 13 - 9566/1.8=3, ~9230=3...(5) HA VAL 71 - HG3 GLU 142 poor 6 58 - 10 - 3.2/8512=2, ~9894=1 HB3 PHE 67 - HG2 GLU 131 lone 5 72 - 7 - 9566/1.8=3, 9569/2.9=2 HB2 TYR 115 - HG2 GLU 131 lone 4 68 - 6 - 9566/1.8=2, 9569/2.9=1 HB3 TYR 27 - HG2 GLU 131 lone 4 99 - 4 - 9566/1.8=1 HB2 ASP 30 - HG2 GLU 131 lone 3 72 - 4 - HB3 TYR 27 - HG3 GLU 142 lone 2 63 - 3 - HB2 PHE 106 - HG3 GLU 142 lone 1 41 - 3 - HB2 ASP 30 - HG3 GLU 142 lone 1 41 - 3 - HE2 LYS 48 - HG3 GLU 142 lone 1 37 - 3 - HE2 LYS 93 - HG3 GLU 142 lone 1 34 - 3 - HB3 PHE 67 - HG3 GLU 142 lone 1 41 - 2 - HB2 TYR 115 - HG3 GLU 142 lone 1 37 - 2 - Peak 9569 from cnoeabs.peaks (2.95, 2.45, 30.00 ppm; 6.80 A): 6 out of 12 assignments used, quality = 0.94: HB3 ASN 130 + HB3 GLU 131 OK 51 68 - 75 - 4.7/4447=30, 4.0/9545=19...(11) HE2 LYS 85 + HB3 GLU 131 OK 40 100 - 40 - 9566/2.9=7, 9569=6...(10) HE3 LYS 85 + HB3 GLU 131 OK 38 96 - 40 - 1.8/9569=6, ~9566=6...(10) HE3 LYS 48 + HB3 GLU 131 OK 32 100 - 32 - ~9568=6, 9566/2.9=5...(7) HE2 LYS 48 + HB3 GLU 131 OK 30 100 - 30 - 9566/2.9=6, 1.8/9569=5...(7) HE2 LYS 93 + HB3 GLU 131 OK 27 100 - 26 - 9566/2.9=5, 9569=4...(7) HB2 PHE 106 - HB3 GLU 131 OK 23 100 - 23 - ~9230=5, 9566/2.9=4...(7) HE3 LYS 93 - HB3 GLU 131 OK 23 85 - 27 - ~9568=5, ~9566=5...(7) HB3 PHE 67 - HB3 GLU 131 OK 21 100 - 21 - 3.7/8401=6, 9566/2.9=4...(5) HE3 LYS 61 - HB3 GLU 131 OK 21 62 - 33 - 4.8/4443=7, ~1679=3...(15) HE2 LYS 61 - HB3 GLU 131 OK 20 62 - 33 - 4.8/4443=7, ~1680=3...(15) HB2 TYR 115 - HB3 GLU 131 OK 16 100 - 16 - 9589/4.6=5, 9566/2.9=3...(4) Peak 9570 from cnoeabs.peaks (7.16, 0.40, 25.33 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.46: QE TYR 115 + QD2 LEU 132 OK 46 100 - 46 - 10295/2.1=15, ~4729=10...(14) Peak 9571 from cnoeabs.peaks (6.56, 0.40, 25.33 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.70: QE TYR 117 + QD2 LEU 132 OK 70 100 - 71 - 9411=27, 10294/2.1=20...(10) HE22 GLN 22 - QD2 LEU 132 lone 6 77 - 8 - 11286/2.1=4 Peak 9572 from cnoeabs.peaks (3.83, 0.40, 25.33 ppm; 4.86 A): 4 out of 8 assignments used, quality = 0.99: HA GLN 133 + QD2 LEU 132 OK 88 100 - 88 - 2.8/7682=27, 9619=25...(23) HD2 PRO 118 + QD2 LEU 132 OK 65 99 - 66 - 7684/4.7=8, 1.8/4503=6...(30) HA LEU 66 + QD2 LEU 132 OK 52 89 - 59 - 1876/2.1=10, 4.0/4508=10...(18) HB2 SER 100 + QD2 LEU 132 OK 51 100 - 51 - 4.1/4502=8, 9164/3.2=7...(14) HA ALA 104 - QD2 LEU 132 OK 29 94 - 30 - 2.1/10979=7, 9583/2.1=5...(8) HA MET 68 - QD2 LEU 132 OK 28 89 - 32 - 8438/2.1=6, 8437/9686=4...(9) HB2 SER 127 - QD2 LEU 132 OK 23 85 - 27 - 9520/8756=7, 1.8/10293=6...(7) HA3 GLY 50 - QD2 LEU 132 poor 9 77 - 11 - ~6476=2, 9337/9330=2...(4) Peak 9575 from cnoeabs.peaks (2.73, 0.40, 25.33 ppm; 4.69 A): 3 out of 9 assignments used, quality = 0.77: HG3 MET 113 + QD2 LEU 132 OK 70 72 - 97 - 3.3/9330=39, 1.8/9325=32...(21) HB2 ASN 96 + QD2 LEU 132 OK 13 100 - 13 - ~9581=2, 10121/8741=2...(5) HB3 TYR 70 + QD2 LEU 132 OK 11 94 - 12 - 1.8/9573=5, 9670/9686=4 HB3 ASP 137 - QD2 LEU 132 poor 9 85 - 10 - 9708/9596=1 HB2 PHE 38 - QD2 LEU 132 lone 6 94 - 7 - 10028/10018=3 HB3 MET 46 - QD2 LEU 132 lone 6 62 - 9 - 1.8/10301=4, ~11506=2 HB3 PHE 43 - QD2 LEU 132 lone 5 85 - 6 - HB3 GLU 120 - QD2 LEU 132 lone 4 85 - 4 - 4023/10368=2 HB2 ASN 54 - QD2 LEU 132 lone 3 68 - 4 - Peak 9576 from cnoeabs.peaks (2.25, 0.40, 25.33 ppm; 3.58 A): 3 out of 3 assignments used, quality = 0.95: HG2 MET 113 + QD2 LEU 132 OK 88 100 - 88 - 3.3/9330=28, 1.8/9328=20...(21) HG3 PRO 129 + QD2 LEU 132 OK 36 81 - 44 - 3.8/9591=17...(8) HG3 GLU 90 + QD2 LEU 132 OK 30 98 - 31 - 3726/9330=6, 9807/8882=5...(11) Peak 9577 from cnoeabs.peaks (1.99, 0.40, 25.33 ppm; 3.05 A): 6 out of 9 assignments used, quality = 0.94: QE MET 113 + QD2 LEU 132 OK 85 100 - 85 - 9330=42, 9329/2.1=25...(18) HG3 GLU 122 + QD2 LEU 132 OK 23 81 - 28 - 3.0/11037=7, 3.0/11034=5...(8) HB VAL 63 + QD2 LEU 132 OK 16 100 - 16 - 2.1/9596=4, ~9600=3...(4) HB3 GLU 90 + QD2 LEU 132 OK 16 77 - 21 - 3.0/9576=4, 3.0/4503=3...(7) QE MET 59 + QD2 LEU 132 OK 13 99 - 13 - 10405/3.2=2, 1635/3.2=2 HG3 PRO 52 + QD2 LEU 132 OK 11 92 - 12 - 1.8/4505=1, 2.3/4505=1 HB2 GLN 111 - QD2 LEU 132 lone 6 99 - 6 - 10341/9686=2, 11022/8738=1 HB2 GLU 142 - QD2 LEU 132 lone 6 89 - 7 - 4.0/10410=2 QE MET 11 - QD2 LEU 132 lone 3 89 - 3 - Peak 9578 from cnoeabs.peaks (2.26, 0.59, 23.59 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.99: HG2 MET 113 + QD1 LEU 132 OK 95 96 - 98 - 9325/2.1=29, 3.3/9329=25...(27) HB3 MET 113 + QD1 LEU 132 OK 64 68 - 95 - 4.2/9329=22, ~9328=19...(22) HG3 PRO 129 + QD1 LEU 132 OK 63 96 - 66 - ~10273=20, ~10368=19...(12) HG3 GLU 90 - QD1 LEU 132 OK 37 100 - 37 - 9576/2.1=9, 3.8/4511=5...(12) Peak 9581 from cnoeabs.peaks (3.12, 0.59, 23.59 ppm; 4.33 A): 7 out of 7 assignments used, quality = 0.86: HA LEU 79 + QD1 LEU 132 OK 61 92 - 67 - 8714/2.1=18, 9581=16...(12) HD2 ARG 109 + QD1 LEU 132 OK 26 100 - 26 - 3.6/4514=3, ~3578=3...(14) HA ALA 105 + QD1 LEU 132 OK 16 94 - 17 - 9263/10174=4, 4.9/9583=2...(6) HD2 ARG 145 + QD1 LEU 132 OK 12 100 - 12 - 1.8/9581=2...(4) HD3 ARG 145 + QD1 LEU 132 OK 12 100 - 12 - 1.8/9581=1...(4) HB3 ASN 96 + QD1 LEU 132 OK 11 98 - 12 - ~9575=2, 9581=2, ~9575=2 HB3 PHE 106 + QD1 LEU 132 OK 11 94 - 12 - 2.5/10415=2, 9581=2 Peak 9583 from cnoeabs.peaks (3.84, 0.59, 23.59 ppm; 4.85 A): 4 out of 7 assignments used, quality = 0.97: HA GLN 133 + QD1 LEU 132 OK 76 85 - 89 - 9620=19, 9619/2.1=18...(24) HA MET 68 + QD1 LEU 132 OK 51 100 - 51 - 8438=8, 3.6/8467=7...(19) HA LEU 72 + QD1 LEU 132 OK 50 96 - 52 - 3.9/9947=16, 3.8/10420=8...(12) HD2 PRO 118 + QD1 LEU 132 OK 46 68 - 68 - 4.6/10415=9, 7684/4.6=7...(30) HB2 SER 100 - QD1 LEU 132 OK 39 77 - 50 - 9572/2.1=7, 4.1/4510=7...(14) HA ALA 104 - QD1 LEU 132 OK 37 100 - 37 - 9583=6, ~10979=5...(11) HB2 SER 127 - QD1 LEU 132 OK 37 100 - 37 - 9520/9600=6, 9583=5...(11) Peak 9584 from cnoeabs.peaks (4.61, 1.92, 40.13 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.90: HA PRO 129 + HB3 LEU 132 OK 82 100 - 82 - 10270/3.2=32...(10) HA ARG 124 + HB3 LEU 132 OK 26 85 - 31 - 9585/1.8=8, ~7545=6...(8) HA HIS 10 + HB3 LEU 132 OK 23 99 - 23 - 9585/1.8=6, 9587/2.9=6...(5) Peak 9585 from cnoeabs.peaks (4.61, 1.26, 40.13 ppm; 4.89 A): 3 out of 4 assignments used, quality = 0.93: HA PRO 129 + HB2 LEU 132 OK 85 98 - 87 - 10270/3.2=34...(10) HA ARG 124 + HB2 LEU 132 OK 36 98 - 37 - 9584/1.8=8, 9592/3.2=8...(8) HA HIS 10 + HB2 LEU 132 OK 25 100 - 25 - 9584/1.8=7, 9587/2.9=7...(5) HA ASP 16 - HB2 LEU 132 lone 2 81 - 3 - 9592/3.2=1 Peak 9591 from cnoeabs.peaks (4.60, 0.40, 25.33 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.79: HA PRO 129 + QD2 LEU 132 OK 76 96 - 79 - 10270=37, 2.3/10368=17...(12) HA HIS 10 + QD2 LEU 132 OK 13 85 - 15 - 9584/3.2=3, 10403/4.4=3...(5) Peak 9592 from cnoeabs.peaks (4.62, 0.59, 23.59 ppm; 4.78 A): 4 out of 5 assignments used, quality = 0.80: HA PRO 129 + QD1 LEU 132 OK 47 62 - 75 - ~10273=22, ~10368=20...(12) HA ARG 124 + QD1 LEU 132 OK 45 98 - 46 - 3.0/10413=10, ~7545=9...(11) HA LEU 87 + QD1 LEU 132 OK 20 62 - 32 - ~8878=22, ~6994=2...(7) HA HIS 10 + QD1 LEU 132 OK 15 81 - 18 - 9587/4.0=5, 9585/3.2=4...(6) HA ASP 16 - QD1 LEU 132 lone 6 100 - 6 - 10605/9582=1 Peak 9593 from cnoeabs.peaks (0.89, 1.26, 40.13 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.99: QG2 VAL 80 + HB2 LEU 132 OK 92 100 - 92 - 8756/3.2=32, 8754=24...(19) QG2 ILE 136 + HB2 LEU 132 OK 85 89 - 96 - 3.0/10340=16...(50) QD1 LEU 97 - HB2 LEU 132 OK 41 81 - 50 - 9594/1.8=5, 9600/3.2=5...(23) QG1 VAL 53 - HB2 LEU 132 OK 38 68 - 56 - 11616/2.9=8, 9548/3.6=7...(20) QD1 ILE 101 - HB2 LEU 132 OK 25 96 - 26 - 9596/3.2=3, 9594/1.8=3...(7) QG2 ILE 101 - HB2 LEU 132 OK 22 89 - 24 - 9594/1.8=3, 9600/3.2=2...(10) QG1 VAL 63 - HB2 LEU 132 OK 19 62 - 30 - 3.2/8354=5, 9548/3.6=5...(9) Peak 9594 from cnoeabs.peaks (0.89, 1.92, 40.13 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.99: QG2 VAL 80 + HB3 LEU 132 OK 93 100 - 93 - 8756/3.2=34, 8754/1.8=24...(19) QG2 ILE 136 + HB3 LEU 132 OK 86 89 - 97 - 9683/3.2=16, ~9686=15...(49) QD1 LEU 97 - HB3 LEU 132 OK 41 81 - 50 - 9593/1.8=5, 3.2/4488=5...(21) QG1 VAL 53 - HB3 LEU 132 OK 39 68 - 58 - 11616/2.9=8, 9548/3.6=7...(20) QD1 ILE 101 - HB3 LEU 132 OK 25 96 - 26 - 9593/1.8=3, 9596/3.2=3...(8) QG2 ILE 101 - HB3 LEU 132 OK 22 89 - 24 - 9593/1.8=3, 9596/3.2=3...(9) QG1 VAL 63 - HB3 LEU 132 OK 20 62 - 32 - 9548/3.6=5, 9600/3.2=5...(10) Peak 9595 from cnoeabs.peaks (0.77, 0.40, 25.33 ppm; 3.38 A): 4 out of 6 assignments used, quality = 0.96: QD1 ILE 136 + QD2 LEU 132 OK 76 85 - 89 - 9686=34, 10297/2.1=16...(38) QG2 VAL 73 + QD2 LEU 132 OK 45 81 - 56 - 3.2/8583=18, 2.1/9598=15...(12) QD2 LEU 72 + QD2 LEU 132 OK 43 98 - 44 - 9947/2.1=18, ~10420=4...(13) QD1 LEU 79 + QD2 LEU 132 OK 40 62 - 64 - 2.1/8738=27...(15) QD1 LEU 72 - QD2 LEU 132 OK 37 89 - 41 - ~9947=9, 10420/2.1=7...(13) QD2 LEU 95 - QD2 LEU 132 OK 17 81 - 21 - 8741=2, ~10423=2...(7) Peak 9596 from cnoeabs.peaks (0.90, 0.40, 25.33 ppm; 3.50 A): 4 out of 4 assignments used, quality = 0.93: QG2 VAL 80 + QD2 LEU 132 OK 77 89 - 87 - 8756=36, 9600/2.1=21...(22) QG1 VAL 53 + QD2 LEU 132 OK 46 100 - 47 - 8237/9570=10...(18) QG1 VAL 63 + QD2 LEU 132 OK 28 99 - 29 - 9600/2.1=7, 2.1/9577=3...(9) QD2 LEU 29 + QD2 LEU 132 OK 17 77 - 22 - 9622/4.7=4, 9600/2.1=3...(6) Peak 9597 from cnoeabs.peaks (0.10, 0.59, 23.59 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.72: QG1 VAL 73 + QD1 LEU 132 OK 72 81 - 88 - 9598/2.1=45, ~8583=35...(18) Peak 9599 from cnoeabs.peaks (1.51, 0.40, 25.33 ppm; 4.66 A): 4 out of 9 assignments used, quality = 1.00: HB2 LYS 123 + QD2 LEU 132 OK 87 99 - 88 - 4111=20, 3.0/4134=15...(26) HB2 GLU 122 + QD2 LEU 132 OK 77 100 - 78 - 11037=23, 1.8/11034=18...(31) QB ALA 135 + QD2 LEU 132 OK 69 81 - 84 - 9628/2.1=21, 10318=21...(22) HG3 PRO 57 + QD2 LEU 132 OK 51 96 - 53 - ~10423=13, 2.3/10301=8...(15) HG3 LYS 76 - QD2 LEU 132 OK 42 62 - 67 - 3.0/8655=35, 10092=12...(18) HG3 LYS 85 - QD2 LEU 132 OK 19 92 - 20 - 10049/8882=5...(3) HG2 LYS 93 - QD2 LEU 132 OK 19 62 - 30 - 10092=6, 9689/9686=3...(10) HB2 LEU 29 - QD2 LEU 132 OK 17 77 - 22 - 3.2/9596=4, 4748/9570=3...(7) HG2 LYS 34 - QD2 LEU 132 OK 12 72 - 17 - 4.0/4503=3, 10425/4.4=2...(4) Peak 9600 from cnoeabs.peaks (0.90, 0.59, 23.59 ppm; 2.84 A): 4 out of 4 assignments used, quality = 0.81: QG2 VAL 80 + QD1 LEU 132 OK 61 89 - 69 - 8755=20, 8756/2.1=16...(17) QG1 VAL 53 + QD1 LEU 132 OK 30 100 - 31 - 9596/2.1=6, 3.2/4511=3...(11) QG1 VAL 63 + QD1 LEU 132 OK 21 99 - 21 - 9596/2.1=4, 9548/4.1=2...(6) QD2 LEU 29 + QD1 LEU 132 OK 10 77 - 13 - 9622/4.6=2, 9596/2.1=2...(5) Peak 9601 from cnoeabs.peaks (8.44, 3.83, 58.15 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.73: H ASP 137 + HA GLN 133 OK 73 94 - 78 - 10449/3.6=20...(15) Peak 9602 from cnoeabs.peaks (4.19, 2.42, 33.16 ppm; 4.02 A): 0 out of 12 assignments used, low quality = 0.40: HA PHE 43 - HG3 GLN 47 OK 14 86 - 16 - 6394/4.9=8, 4.8/8178=4 HA PHE 43 - HG2 GLN 47 OK 14 86 - 16 - 6394/4.9=8, 4.8/8178=4 HA PHE 67 - HG2 GLN 133 OK 10 100 - 10 - 1926/3.5=3, 3.6/6674=2...(4) HA PHE 67 - HG3 GLN 133 OK 10 100 - 10 - 1926/3.5=3, 3.6/6674=2...(4) HA PHE 67 - HG3 GLN 47 poor 10 91 - 11 - 6394/4.9=3, 1930/3.5=3 HA PHE 67 - HG2 GLN 47 poor 10 91 - 11 - 6394/4.9=3, 1930/3.5=3 HA PHE 43 - HG3 GLN 133 lone 6 98 - 6 - ~4815=1 HA PHE 43 - HG2 GLN 133 lone 6 98 - 6 - ~4815=1 HA CYS 121 - HG3 GLN 47 lone 5 82 - 6 - 6394/4.9=4 HA CYS 121 - HG2 GLN 47 lone 5 82 - 6 - 6394/4.9=4 HA CYS 121 - HG3 GLN 133 lone 2 94 - 3 - HA CYS 121 - HG2 GLN 133 lone 2 94 - 3 - Peak 9613 from cnoeabs.peaks (1.66, 3.83, 58.15 ppm; 4.27 A): 6 out of 13 assignments used, quality = 0.90: HG13 ILE 136 + HA GLN 133 OK 64 94 - 67 - 2.1/9618=22, 1.8/9616=19...(9) HB VAL 71 + HA GLN 133 OK 37 98 - 38 - 2.1/9620=9, 2.1/8506=9...(9) HB2 MET 68 + HA GLN 133 OK 34 100 - 34 - 3.6/6663=5, 1960=3...(12) HB2 PRO 57 + HA GLN 133 OK 14 81 - 18 - 3.9/4518=3, 1520/2.8=2...(4) HG2 ARG 140 + HA GLN 133 OK 14 96 - 14 - 7764/9601=2...(4) HG2 ARG 124 + HA GLN 133 OK 13 100 - 13 - 4.9/4527=5, 4222/4527=1 HG2 ARG 89 - HA GLN 133 lone 9 98 - 10 - 2.8/4528=1, 7764/9601=1 HD3 LYS 93 - HA GLN 133 lone 8 85 - 10 - 4634/9601=1 HB2 LEU 95 - HA GLN 133 lone 7 98 - 7 - ~9621=2 HB2 LYS 114 - HA GLN 133 lone 7 85 - 8 - 3.6/9614=2, 10843/9616=1 HD2 LYS 48 - HA GLN 133 lone 5 98 - 5 - HB2 ARG 145 - HA GLN 133 lone 4 92 - 4 - HD3 LYS 48 - HA GLN 133 lone 3 77 - 4 - Peak 9614 from cnoeabs.peaks (1.49, 3.83, 58.15 ppm; 4.08 A): 4 out of 5 assignments used, quality = 0.95: QB ALA 134 + HA GLN 133 OK 74 85 - 87 - 9660/2.8=26, 4575/3.6=23...(18) HB3 LEU 29 + HA GLN 133 OK 63 100 - 63 - 3.1/9616=15, 9623/2.8=10...(22) HG13 ILE 101 + HA GLN 133 OK 39 100 - 39 - 9623/2.8=7, 2.1/9617=7...(10) HD3 LYS 114 + HA GLN 133 OK 12 100 - 12 - 9623/2.8=2, 9694/9601=2...(5) HG2 LYS 34 - HA GLN 133 lone 7 85 - 8 - 9623/2.8=2, 516/4.9=1 Peak 9615 from cnoeabs.peaks (1.19, 3.83, 58.15 ppm; 5.81 A): 4 out of 4 assignments used, quality = 0.64: QD1 LEU 26 + HA GLN 133 OK 30 89 - 34 - 10561=8, 2.1/10563=6...(11) HB3 LEU 108 + HA GLN 133 OK 25 100 - 25 - 3.6/7263=6, 3.2/9618=5...(5) HG12 ILE 56 + HA GLN 133 OK 18 72 - 25 - 2.1/9620=10, 3.2/9617=4...(4) HG13 ILE 56 + HA GLN 133 OK 18 77 - 23 - 2.1/9620=10, 3.2/9617=4, ~7683=3 Peak 9616 from cnoeabs.peaks (0.98, 3.83, 58.15 ppm; 4.21 A): 3 out of 3 assignments used, quality = 0.80: HG12 ILE 136 + HA GLN 133 OK 57 85 - 67 - 2.1/9618=22, 2.3/9617=13...(12) HB2 LEU 39 + HA GLN 133 OK 34 100 - 34 - 1.8/10311=8, 3.0/8134=7...(8) QD1 LEU 116 + HA GLN 133 OK 29 89 - 33 - 9372=6, 2.1/9375=4...(13) Peak 9617 from cnoeabs.peaks (0.90, 3.83, 58.15 ppm; 3.73 A): 6 out of 6 assignments used, quality = 0.90: QG2 VAL 80 + HA GLN 133 OK 52 99 - 53 - 9957/2.8=19, 8747=9...(12) QG2 ILE 136 + HA GLN 133 OK 45 62 - 72 - 4.3/9601=17, 3.0/9618=15...(18) QD1 ILE 101 + HA GLN 133 OK 27 77 - 35 - 2.1/9614=6, 10543/3.6=6...(10) QG1 VAL 53 + HA GLN 133 OK 25 92 - 28 - 9622/2.8=4, 11616/4.9=4...(11) QG2 ILE 101 + HA GLN 133 OK 18 62 - 29 - 3.2/9614=5, 2.1/9168=4...(8) QG1 VAL 63 + HA GLN 133 OK 14 89 - 15 - 9622/2.8=3, 11616/4.9=2 Peak 9618 from cnoeabs.peaks (0.76, 3.83, 58.15 ppm; 3.32 A): 5 out of 5 assignments used, quality = 0.86: QD1 ILE 136 + HA GLN 133 OK 69 100 - 69 - 9666=16, 2.1/9616=10...(18) QD1 LEU 72 + HA GLN 133 OK 23 100 - 23 - 9911/4.0=3, 9911/4.0=3...(4) QG2 VAL 73 + HA GLN 133 OK 21 100 - 21 - 8554/5.3=3, 4.4/4527=2...(5) QD2 LEU 72 + HA GLN 133 OK 20 96 - 20 - 10292/4.9=2, 9947/9620=2...(5) QD1 LEU 108 + HA GLN 133 OK 11 89 - 12 - 3.2/9615=3, 4.4/7263=2 Peak 9619 from cnoeabs.peaks (0.39, 3.83, 58.15 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.89: QD2 LEU 132 + HA GLN 133 OK 80 92 - 87 - 7682/2.8=26, 2.1/9620=23...(23) HG3 LYS 123 + HA GLN 133 OK 43 100 - 43 - 7682/2.8=14, 4473/4.9=9...(11) Peak 9620 from cnoeabs.peaks (0.59, 3.83, 58.15 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.93: QD1 LEU 132 + HA GLN 133 OK 84 94 - 89 - 2.1/9619=22, ~7682=17...(26) QG1 VAL 71 + HA GLN 133 OK 40 77 - 52 - 2.1/8506=9, 2.1/9613=7...(16) QD1 ILE 56 + HA GLN 133 OK 31 100 - 31 - 2.1/9615=5, 2.1/9615=5...(9) Peak 9626 from cnoeabs.peaks (1.28, 1.52, 18.21 ppm; 4.12 A): 0 out of 5 assignments used, low quality = 0.41: QB ALA 104 - QB ALA 135 OK 33 100 - 33 - 10156/4.0=8, 8760/9627=5...(7) HG12 ILE 58 - QB ALA 135 OK 11 94 - 12 - 4.5/10451=4, 3.2/9628=4 HG13 ILE 58 - QB ALA 135 poor 9 77 - 11 - 4.5/10451=4, 3.2/9628=4 QG2 THR 102 - QB ALA 135 lone 8 85 - 10 - 9626=5 HG2 LYS 61 - QB ALA 135 lone 5 72 - 7 - 4512/9628=2...(3) Peak 9627 from cnoeabs.peaks (0.80, 1.52, 18.21 ppm; 2.75 A): 4 out of 4 assignments used, quality = 0.67: QG1 VAL 80 + QB ALA 135 OK 44 100 - 44 - 9627=18, 2.1/8753=9...(9) QD1 LEU 79 + QB ALA 135 OK 21 68 - 31 - 9627=11, ~9631=7...(6) QD2 LEU 126 + QB ALA 135 OK 18 98 - 18 - 9627=8, ~10680=2...(5) QG2 THR 74 + QB ALA 135 OK 10 77 - 13 - 9627=5, 4.0/4590=2...(5) Peak 9628 from cnoeabs.peaks (0.59, 1.52, 18.21 ppm; 3.21 A): 4 out of 4 assignments used, quality = 0.82: QD1 LEU 132 + QB ALA 135 OK 71 98 - 72 - 9628=28, 2.1/10318=15...(16) QG1 VAL 71 + QB ALA 135 OK 19 85 - 22 - 9628=8, 10342/10964=1...(5) QD1 ILE 56 + QB ALA 135 OK 16 98 - 16 - 3.1/10319=3, 9680/3.7=2...(4) QG2 ILE 58 + QB ALA 135 OK 12 68 - 17 - 10024/10443=4...(5) Peak 9637 from cnoeabs.peaks (1.90, 1.48, 17.84 ppm; 4.55 A): 7 out of 12 assignments used, quality = 0.94: HB ILE 101 + QB ALA 134 OK 75 99 - 76 - 3333=9, 3329/2.1=8...(27) HB ILE 136 + QB ALA 134 OK 31 94 - 33 - 9691/4.0=6, 2.9/9637=5...(9) QE MET 68 + QB ALA 134 OK 21 100 - 21 - 9644/4.0=4, 3.3/9640=3...(5) HB3 LYS 93 + QB ALA 134 OK 20 68 - 29 - 3.4/9637=6, 5.1/10324=3...(11) HB3 LEU 69 + QB ALA 134 OK 17 100 - 17 - ~9650=3, 3.0/10321=3...(5) HG13 ILE 83 + QB ALA 134 OK 16 89 - 19 - 9644/4.0=8, ~9651=4, 9647/2.9=1 HB2 LYS 86 + QB ALA 134 OK 15 81 - 18 - 9644/4.0=3, 1.8/2697=2...(10) HB3 ARG 89 - QB ALA 134 lone 7 98 - 8 - 9709/10323=2, 2.8/9637=1 HB2 LYS 24 - QB ALA 134 lone 7 98 - 7 - 10884/10156=1 HB2 MET 59 - QB ALA 134 lone 6 68 - 9 - ~7710=3, 10108/9624=1 HB3 GLN 111 - QB ALA 134 lone 6 94 - 7 - ~9649=1, 3.0/9638=1 HB3 ARG 140 - QB ALA 134 lone 6 72 - 8 - 9709/10323=2, 2.9/9637=1 Peak 9638 from cnoeabs.peaks (2.13, 1.48, 17.84 ppm; 3.73 A): 3 out of 7 assignments used, quality = 0.93: HB2 GLN 133 + QB ALA 134 OK 64 81 - 79 - 4.0/9660=21, 4.5/4575=19...(22) HB3 GLN 133 + QB ALA 134 OK 61 77 - 79 - 4.0/9660=21, 4.5/4575=19...(22) HG3 PRO 118 + QB ALA 134 OK 52 98 - 53 - 9649/2.1=14, 2.3/11045=7...(15) HG2 GLU 81 - QB ALA 134 lone 7 92 - 8 - 9649/2.1=2, 1.8/9639=1 HG2 GLN 111 - QB ALA 134 lone 5 100 - 5 - 9649/2.1=1 HB2 GLU 75 - QB ALA 134 lone 5 81 - 6 - 9649/2.1=2 HB VAL 73 - QB ALA 134 lone 3 72 - 3 - 9649/2.1=1 Peak 9639 from cnoeabs.peaks (2.28, 1.48, 17.84 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.76: HG2 GLU 131 + QB ALA 134 OK 66 100 - 66 - 4.2/4574=28...(6) HG3 GLU 142 + QB ALA 134 OK 22 100 - 22 - 5.0/9661=5, 4435/4574=4...(7) HB3 MET 113 + QB ALA 134 OK 10 99 - 10 - 3.0/9641=1, ~4573=1 HG3 PRO 129 - QB ALA 134 poor 9 77 - 12 - 4435/4574=3, 2.3/10322=3...(4) HG3 GLU 81 - QB ALA 134 lone 8 77 - 10 - ~9649=2, 1.8/9638=2...(4) HG2 GLU 90 - QB ALA 134 lone 7 100 - 7 - 10073/9641=2, 10073/9641=1 HG3 GLU 75 - QB ALA 134 lone 5 68 - 8 - ~9649=2, 3.0/9638=1, 9927/4.0=1 HG2 GLN 62 - QB ALA 134 lone 2 72 - 3 - Peak 9640 from cnoeabs.peaks (2.43, 1.48, 17.84 ppm; 3.81 A): 7 out of 8 assignments used, quality = 0.93: HG3 GLU 131 + QB ALA 134 OK 57 96 - 59 - 4.2/4574=19, 1.8/9639=19...(7) HG2 GLN 133 + QB ALA 134 OK 49 68 - 72 - 4.5/9660=19, 2.9/9638=11...(20) HG3 GLN 133 + QB ALA 134 OK 45 62 - 72 - 4.5/9660=19, 2.9/9638=11...(20) HG3 GLN 47 + QB ALA 134 OK 16 85 - 18 - 7718/2.9=2, ~4557=2...(9) HG2 GLN 47 + QB ALA 134 OK 16 85 - 18 - 7718/2.9=2, ~4557=2...(9) HB3 PRO 33 + QB ALA 134 OK 15 100 - 15 - 2.3/9792=6, 2.3/10322=3 HG2 MET 68 + QB ALA 134 OK 12 98 - 12 - 2.9/9637=3, 3.3/9637=2...(4) HG2 MET 11 - QB ALA 134 lone 3 98 - 3 - Peak 9641 from cnoeabs.peaks (2.75, 1.48, 17.84 ppm; 3.98 A): 5 out of 9 assignments used, quality = 0.94: HB3 ASP 137 + QB ALA 134 OK 72 96 - 75 - 1.8/10323=26, ~4572=19...(8) HE2 LYS 76 + QB ALA 134 OK 37 96 - 39 - 4573/2.1=6, ~4573=4...(14) HE3 LYS 76 + QB ALA 134 OK 34 85 - 39 - 4573/2.1=6, ~4573=4...(14) HB3 PHE 43 + QB ALA 134 OK 33 96 - 34 - 1.8/11632=12, 4573/2.1=7...(8) HE2 LYS 114 + QB ALA 134 OK 26 94 - 28 - 1.8/3827=4, 4573/2.1=4...(11) HG3 MET 113 - QB ALA 134 lone 8 100 - 8 - 3.0/9639=2, 4573/2.1=1 HB3 ASP 40 - QB ALA 134 lone 5 100 - 5 - HB2 ASN 96 - QB ALA 134 lone 4 68 - 7 - 9081/9624=2, ~9085=2, 4573/2.1=2 HB2 ASN 54 - QB ALA 134 lone 3 100 - 3 - Peak 9643 from cnoeabs.peaks (1.76, 1.52, 18.21 ppm; 3.68 A): 4 out of 7 assignments used, quality = 0.77: HB ILE 83 + QB ALA 135 OK 43 72 - 59 - 3.2/10317=14...(12) HG LEU 39 + QB ALA 135 OK 32 94 - 34 - 9643=9, 2.1/10978=8...(8) HG LEU 95 + QB ALA 135 OK 31 94 - 33 - 9643=9, 2.1/9627=6...(13) HB2 PRO 12 + QB ALA 135 OK 14 96 - 15 - 9643=4, 2.3/9644=3...(4) HB3 MET 59 - QB ALA 135 poor 8 77 - 10 - 1.8/9644=3, 9643=2 HB3 ARG 35 - QB ALA 135 lone 7 100 - 7 - 9643=2 HB3 ARG 55 - QB ALA 135 lone 4 89 - 5 - Peak 9644 from cnoeabs.peaks (1.92, 1.52, 18.21 ppm; 3.91 A): 4 out of 12 assignments used, quality = 0.99: HB3 LEU 132 + QB ALA 135 OK 75 94 - 79 - 1.8/9626=25, 3.2/9628=20...(18) HB ILE 136 + QB ALA 135 OK 75 98 - 76 - 2.9/10964=24...(18) HG13 ILE 83 + QB ALA 135 OK 61 100 - 61 - 2.1/10317=20...(13) HB2 PRO 118 + QB ALA 135 OK 48 99 - 48 - 9644=7, 2.3/9655=7...(14) HB2 LYS 86 - QB ALA 135 OK 19 100 - 19 - 9644=4, 4.0/6974=2...(6) QE MET 68 - QB ALA 135 OK 18 85 - 22 - 9644=5, 7747/3.7=2...(5) HG3 PRO 12 - QB ALA 135 OK 17 96 - 18 - 9644=4, 2.3/9643=4, ~9633=1 HB2 MET 59 - QB ALA 135 OK 16 100 - 16 - 9644=3, 1.8/9643=2, 8299/10017=1 HG2 PRO 12 - QB ALA 135 OK 15 89 - 17 - 2.3/9643=4, 1.8/9644=3 HB2 ARG 140 - QB ALA 135 OK 13 85 - 15 - 9644=3, 7747/3.7=1 HB3 LEU 69 - QB ALA 135 OK 12 77 - 16 - 9644=3, 7747/3.7=1 HB2 GLN 62 - QB ALA 135 lone 7 89 - 8 - 8342/8753=2, 8347/9628=2 Peak 9645 from cnoeabs.peaks (2.76, 1.52, 18.21 ppm; 5.54 A): 5 out of 8 assignments used, quality = 0.85: HB3 ASN 84 + QB ALA 135 OK 53 62 - 85 - 3.5/9659=45...(10) HE3 LYS 76 + QB ALA 135 OK 35 99 - 36 - 9641/4.0=8, ~7735=3...(15) HE2 LYS 76 + QB ALA 135 OK 33 92 - 35 - 9641/4.0=8, 9652/3.7=3...(13) HE2 LYS 114 + QB ALA 135 OK 19 94 - 20 - 9641/4.0=5, 1.8/9645=3...(6) HB2 ASP 41 + QB ALA 135 OK 12 96 - 12 - 1.8/9645=4, 10028/10443=2 HB3 ASP 40 - QB ALA 135 lone 6 77 - 8 - 9652/3.7=1, ~10487=1 HG3 GLN 111 - QB ALA 135 lone 5 68 - 7 - HB2 ASN 54 - QB ALA 135 lone 3 57 - 5 - Peak 9646 from cnoeabs.peaks (3.14, 1.52, 18.21 ppm; 3.92 A): 3 out of 4 assignments used, quality = 0.80: HA VAL 80 + QB ALA 135 OK 67 98 - 68 - 9646=26, 3.2/9627=18...(16) HA LEU 39 + QB ALA 135 OK 27 100 - 27 - 3.9/10978=6, 3.7/9643=6...(7) HB2 TYR 70 + QB ALA 135 OK 17 92 - 19 - 9646=7, ~4696=4...(4) HB2 TRP 17 - QB ALA 135 lone 4 68 - 5 - ~10862=4 Peak 9648 from cnoeabs.peaks (2.42, 4.21, 54.36 ppm; 4.53 A): 3 out of 8 assignments used, quality = 0.99: HG2 GLN 133 + HA ALA 134 OK 85 100 - 85 - 4.5/10447=23...(23) HG3 GLN 133 + HA ALA 134 OK 85 100 - 85 - 4.5/10447=23...(22) HB3 PRO 118 + HA ALA 134 OK 66 100 - 66 - 2.3/9649=23, 7719/2.8=9...(15) HG3 GLN 47 - HA ALA 134 OK 30 96 - 31 - 4557/2.8=4, ~9640=3...(13) HG2 GLN 47 - HA ALA 134 OK 30 96 - 31 - 4557/2.8=4, ~9640=3...(13) HG2 MET 68 - HA ALA 134 OK 13 81 - 15 - 9640/2.1=2, ~9637=2...(8) QE MET 46 - HA ALA 134 OK 10 100 - 10 - 9640/2.1=1, 3.3/11507=1...(4) HB3 PRO 33 - HA ALA 134 poor 9 62 - 15 - ~9792=6, ~10322=3, 9640/2.1=2 Peak 9649 from cnoeabs.peaks (2.13, 4.21, 54.36 ppm; 4.89 A): 1 out of 5 assignments used, quality = 0.57: HG3 PRO 118 + HA ALA 134 OK 57 85 - 67 - 9638/2.1=12, 11551/3.6=9...(15) HB2 GLU 75 - HA ALA 134 lone 7 96 - 7 - 9638/2.1=2 HG2 GLU 81 - HA ALA 134 lone 6 72 - 9 - ~9639=2, 9638/2.1=2, 9649=2 HB VAL 73 - HA ALA 134 lone 6 92 - 6 - ~9612=2 HG2 GLN 111 - HA ALA 134 lone 5 100 - 5 - 9638/2.1=1 Peak 9653 from cnoeabs.peaks (3.83, 1.52, 18.21 ppm; 5.25 A): 4 out of 8 assignments used, quality = 1.00: HA GLN 133 + QB ALA 135 OK 94 100 - 95 - 3.6/9657=28...(30) HD2 PRO 118 + QB ALA 135 OK 65 99 - 66 - ~11551=11, 2.3/9655=10...(18) HA ALA 104 + QB ALA 135 OK 49 94 - 52 - 2.1/9626=24, 9653=7...(14) HA LEU 66 + QB ALA 135 OK 48 89 - 54 - 4.0/10317=13...(15) HB2 SER 127 - QB ALA 135 OK 37 85 - 44 - 9653=7, 9501/10320=5...(13) HB2 SER 100 - QB ALA 135 OK 36 100 - 36 - 9653=6, 7740/3.7=4...(13) HA MET 68 - QB ALA 135 OK 29 89 - 33 - 7740/3.7=5, 4.6/9644=4...(9) HA3 GLY 50 - QB ALA 135 poor 9 77 - 11 - 9653=2, 1.8/4588=1, ~7734=1 Peak 9654 from cnoeabs.peaks (3.69, 1.52, 18.21 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.21: HA ILE 91 - QB ALA 135 OK 21 85 - 25 - 5.0/4586=4, 7746/3.7=3...(8) Peak 9657 from cnoeabs.peaks (7.69, 1.52, 18.21 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.89: H ALA 134 + QB ALA 135 OK 83 100 - 83 - 7724/2.9=28, 4575/4.0=24...(15) H PHE 106 + QB ALA 135 OK 22 96 - 23 - 7731/2.9=6, 7741/3.7=5...(5) H GLU 28 + QB ALA 135 OK 16 94 - 16 - 7731/2.9=3, 4575/4.0=3...(6) Peak 9658 from cnoeabs.peaks (7.41, 1.52, 18.21 ppm; 3.97 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9659 from cnoeabs.peaks (6.63, 1.52, 18.21 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.52: HD21 ASN 84 + QB ALA 135 OK 52 85 - 61 - 8848=20, 1.7/8845=17...(9) QE PHE 23 - QB ALA 135 lone 0 62 - 0 - Peak 9660 from cnoeabs.peaks (8.05, 1.48, 17.84 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.76: H GLN 133 + QB ALA 134 OK 76 94 - 81 - 7714/2.9=32...(14) Peak 9661 from cnoeabs.peaks (8.20, 1.48, 17.84 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.51: H GLU 131 + QB ALA 134 OK 44 72 - 60 - 3.0/4574=28...(8) H GLU 142 + QB ALA 134 OK 12 98 - 13 - 5.0/9639=3, 4.0/10322=2...(6) H ARG 141 - QB ALA 134 lone 3 99 - 3 - H MET 11 - QB ALA 134 lone 1 81 - 2 - Peak 9663 from cnoeabs.peaks (7.71, 0.76, 13.00 ppm; 4.83 A): 4 out of 4 assignments used, quality = 0.79: H LEU 132 + QD1 ILE 136 OK 63 81 - 78 - 4.4/9686=32, 4.1/9685=20...(12) H SER 100 + QD1 ILE 136 OK 27 81 - 34 - 4.0/10467=6, 9166/2.5=4...(12) H GLN 62 + QD1 ILE 136 OK 12 72 - 16 - 4502/9686=3...(5) HD21 ASN 128 + QD1 ILE 136 OK 10 100 - 10 - 3.4/10752=2, ~10336=1, ~10462=1 Peak 9664 from cnoeabs.peaks (6.81, 0.76, 13.00 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.83: HE21 GLN 133 + QD1 ILE 136 OK 75 100 - 75 - 1.7/10453=37, ~9607=18...(9) H LYS 76 + QD1 ILE 136 OK 23 62 - 37 - 3.6/10332=5, 5.1/9689=4...(16) QD PHE 67 + QD1 ILE 136 OK 11 62 - 17 - 9665/3.0=3, ~10844=2...(7) HD21 ASN 96 - QD1 ILE 136 lone 8 100 - 8 - 3.5/9670=2 Peak 9665 from cnoeabs.peaks (6.82, 0.88, 16.73 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.59: HE21 GLN 133 + QG2 ILE 136 OK 41 68 - 61 - 1.7/9607=27, ~10453=14...(11) QD PHE 67 + QG2 ILE 136 OK 17 100 - 17 - 4.3/11232=5, 3.8/4744=4...(4) HZ2 TRP 88 + QG2 ILE 136 OK 16 100 - 16 - 8943/3.0=3, 10188/9332=2...(6) Peak 9666 from cnoeabs.peaks (3.84, 0.76, 13.00 ppm; 3.19 A): 4 out of 8 assignments used, quality = 0.94: HA GLN 133 + QD1 ILE 136 OK 64 96 - 66 - 9618=20, 9616/2.1=9...(17) HA MET 68 + QD1 ILE 136 OK 55 100 - 56 - 8436/3.0=9, 8437=9...(21) HA ALA 104 + QD1 ILE 136 OK 38 100 - 38 - 9666=8, 2.1/9196=4...(12) HD2 PRO 118 + QD1 ILE 136 OK 37 85 - 43 - 1.8/9667=9, 4602/2.5=4...(17) HB2 SER 127 - QD1 ILE 136 OK 29 99 - 29 - 9666=6, 9520/3.0=4...(7) HA LEU 72 - QD1 ILE 136 OK 28 85 - 33 - 2110=4, 4.9/8496=3...(11) HA LEU 66 - QD1 ILE 136 OK 23 62 - 37 - 9666=7, 3.7/10759=6...(12) HB2 SER 100 - QD1 ILE 136 OK 20 92 - 21 - 9666=4, 4.1/9663=3...(7) Peak 9667 from cnoeabs.peaks (4.05, 0.76, 13.00 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.74: HD3 PRO 118 + QD1 ILE 136 OK 64 81 - 79 - 9667=14, 3.0/9671=8...(34) HD2 PRO 33 + QD1 ILE 136 OK 15 100 - 15 - 1.8/9667=3, 432/9667=2...(5) HA GLN 25 + QD1 ILE 136 OK 14 81 - 17 - 2.9/9672=10 HA LYS 24 - QD1 ILE 136 lone 9 96 - 9 - Peak 9668 from cnoeabs.peaks (3.30, 0.76, 13.00 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.92: HD2 ARG 124 + QD1 ILE 136 OK 62 100 - 62 - 9668=14, 10748/4.2=9...(20) HD3 ARG 109 + QD1 ILE 136 OK 62 99 - 62 - 9668=20, 10237/3.0=14...(16) HB2 TRP 88 + QD1 ILE 136 OK 45 100 - 45 - 1.8/9669=10, 9668=8...(13) HB3 TRP 17 - QD1 ILE 136 lone 4 92 - 4 - 9032/9028=2 Peak 9669 from cnoeabs.peaks (3.09, 0.76, 13.00 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.69: HD3 ARG 49 + QD1 ILE 136 OK 38 92 - 42 - 9669=17, 10749/4.2=4...(9) HA2 GLY 78 + QD1 ILE 136 OK 38 96 - 40 - 9669=16, 10749/4.2=5...(7) HA TYR 119 + QD1 ILE 136 OK 20 99 - 21 - 10335/3.0=4...(6) HB3 HIS 10 - QD1 ILE 136 poor 7 68 - 10 - 9669=3, 10751/2.1=2...(4) Peak 9670 from cnoeabs.peaks (2.75, 0.76, 13.00 ppm; 5.16 A): 3 out of 8 assignments used, quality = 0.96: HB3 ASP 137 + QD1 ILE 136 OK 78 89 - 88 - 3.8/4642=29, ~9676=18...(17) HG3 MET 113 + QD1 ILE 136 OK 70 96 - 72 - 3.3/9331=19...(13) HE2 LYS 76 + QD1 ILE 136 OK 48 100 - 48 - 3.0/9689=7, 3.0/9688=6...(15) HE3 LYS 76 - QD1 ILE 136 OK 44 94 - 47 - 3.0/9689=7, 3.0/9688=6...(14) HE2 LYS 114 - QD1 ILE 136 OK 30 99 - 30 - 9676/3.0=4, ~10336=3...(9) HB2 ASN 54 - QD1 ILE 136 OK 17 98 - 17 - ~10437=6, 9670=3...(5) HB3 ASP 40 - QD1 ILE 136 OK 16 100 - 16 - ~6278=4, 9676/3.0=3...(4) HB3 PHE 43 - QD1 ILE 136 OK 13 89 - 14 - 7768/4642=3, 9652/4.8=3...(6) Peak 9671 from cnoeabs.peaks (2.42, 0.76, 13.00 ppm; 4.67 A): 4 out of 8 assignments used, quality = 1.00: HG2 GLN 133 + QD1 ILE 136 OK 76 100 - 76 - 3.5/10453=29...(16) HG3 GLN 133 + QD1 ILE 136 OK 75 100 - 76 - 3.5/10453=29...(15) HB3 PRO 118 + QD1 ILE 136 OK 74 98 - 76 - 3.0/9667=17, 9671=9...(32) HG2 MET 68 + QD1 ILE 136 OK 72 94 - 76 - 1.8/8427=13, 3.3/8424=13...(30) QE MET 46 - QD1 ILE 136 OK 28 96 - 29 - 9671=3, 4.2/9670=3...(9) HG2 GLN 47 - QD1 ILE 136 OK 23 100 - 23 - 9671=3, 1.8/9671=3...(9) HG3 GLN 47 - QD1 ILE 136 OK 23 100 - 23 - 9671=3, 1.8/9671=3...(9) HB3 PRO 33 - QD1 ILE 136 OK 14 81 - 17 - 3.0/9667=4, 3.0/9667=2...(5) Peak 9672 from cnoeabs.peaks (2.17, 0.76, 13.00 ppm; 5.03 A): 5 out of 5 assignments used, quality = 0.89: HB3 PRO 57 + QD1 ILE 136 OK 66 81 - 81 - ~8263=11, 2.3/9689=8...(32) HB3 LYS 86 + QD1 ILE 136 OK 39 92 - 42 - 9672=17, 10301/9686=3...(18) HB2 GLN 25 + QD1 ILE 136 OK 20 96 - 21 - 9672=9, 2.9/9667=4, 8254/9685=2 HG LEU 29 + QD1 ILE 136 OK 20 62 - 32 - 9672=13, ~10843=4...(7) HG2 PRO 129 + QD1 ILE 136 OK 15 99 - 15 - 9672=8, 10424/9686=1 Peak 9674 from cnoeabs.peaks (2.42, 1.91, 37.90 ppm; 5.40 A): 4 out of 7 assignments used, quality = 0.99: HB3 PRO 118 + HB ILE 136 OK 85 100 - 85 - ~9667=15, ~9667=11...(33) HG2 GLN 133 + HB ILE 136 OK 66 100 - 67 - 4.0/4528=11, 9671/2.5=9...(15) HG3 GLN 133 + HB ILE 136 OK 65 100 - 65 - 4.0/4528=11, 9671/2.5=9...(14) HG2 MET 68 + HB ILE 136 OK 64 77 - 83 - ~8427=12, 9671/2.5=9...(39) HG2 GLN 47 - HB ILE 136 OK 26 94 - 28 - 3.6/10675=3, 9671/2.5=3...(14) HG3 GLN 47 - HB ILE 136 OK 26 94 - 28 - 3.6/10675=3, 9671/2.5=3...(14) QE MET 46 - HB ILE 136 OK 24 100 - 24 - 9671/2.5=3, 4.2/9675=3...(7) Peak 9675 from cnoeabs.peaks (2.73, 1.91, 37.90 ppm; 6.52 A): 5 out of 7 assignments used, quality = 0.94: HB3 ASP 137 + HB ILE 136 OK 65 68 - 96 - 3.8/4610=38, ~9676=28...(19) HB3 TYR 70 + HB ILE 136 OK 65 100 - 65 - ~8479=15, 9670/2.5=14...(11) HB3 MET 46 + HB ILE 136 OK 29 81 - 35 - ~10710=8, ~11005=5...(11) HB2 ASN 96 + HB ILE 136 OK 16 96 - 16 - 9670/2.5=4, ~10335=3...(5) HB3 PHE 43 + HB ILE 136 OK 16 68 - 24 - 4.5/10458=8, 7768/4.6=6...(5) HB3 GLU 120 - HB ILE 136 lone 9 96 - 9 - ~9559=1, 9670/2.5=1, 3.6/9436=1 HB2 PHE 38 - HB ILE 136 lone 7 100 - 7 - ~10333=1 Peak 9676 from cnoeabs.peaks (2.76, 0.88, 16.73 ppm; 4.49 A): 5 out of 9 assignments used, quality = 0.95: HB3 ASP 137 + QG2 ILE 136 OK 65 77 - 84 - 3.8/4618=27, 1.8/9676=25...(17) HG3 MET 113 + QG2 ILE 136 OK 48 89 - 54 - 3.3/9332=16, ~9331=8...(13) HE2 LYS 76 + QG2 ILE 136 OK 36 100 - 36 - 3.0/10338=6, 9670/3.0=4...(13) HE3 LYS 76 + QG2 ILE 136 OK 35 99 - 35 - 3.0/10338=6, 9670/3.0=4...(14) HE2 LYS 114 + QG2 ILE 136 OK 30 100 - 30 - 1.8/10336=5, ~4600=3...(12) HB2 ASP 41 - QG2 ILE 136 OK 23 68 - 35 - 1.8/10462=9, 3.0/9679=7...(8) HB3 ASP 40 - QG2 ILE 136 OK 19 99 - 19 - ~6278=3, ~4600=3...(7) HB3 PHE 43 - QG2 ILE 136 OK 13 77 - 16 - 7768/4.3=5, 4.5/4744=3...(5) HB2 ASN 54 - QG2 ILE 136 OK 10 92 - 11 - ~10437=4, 9670/3.0=1 Peak 9679 from cnoeabs.peaks (4.47, 0.88, 16.73 ppm; 3.45 A): 4 out of 5 assignments used, quality = 0.90: HA ASP 137 + QG2 ILE 136 OK 82 98 - 84 - 2.9/4618=22, 9705=12...(30) HA ASP 41 + QG2 ILE 136 OK 22 92 - 24 - 3.0/10462=4, 7766/4.3=2...(11) HA SER 44 + QG2 ILE 136 OK 16 100 - 16 - 10326/3.0=2, ~10458=2...(5) HA SER 103 + QG2 ILE 136 OK 15 100 - 15 - 3.6/10457=3, 10460/4.0=1...(5) HA3 GLY 31 - QG2 ILE 136 lone 5 100 - 5 - Peak 9681 from cnoeabs.peaks (0.60, 3.71, 64.37 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.84: QD1 ILE 56 + HA ILE 136 OK 63 99 - 64 - 9683/3.2=20, 9680/2.9=13...(16) QD1 LEU 132 + HA ILE 136 OK 57 68 - 84 - 9683/3.2=22, 9685/4.2=18...(29) Peak 9682 from cnoeabs.peaks (0.58, 1.91, 37.90 ppm; 4.71 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 132 + HB ILE 136 OK 98 100 - 98 - ~9686=29, ~9686=24...(45) QG1 VAL 71 + HB ILE 136 OK 88 100 - 88 - 9685/2.5=17, 9683/2.1=14...(37) QD1 LEU 66 + HB ILE 136 OK 67 92 - 73 - 9892/2.1=14, ~9901=11...(19) QD1 ILE 56 - HB ILE 136 OK 36 72 - 50 - 9685/2.5=7, 9684/2.9=6...(15) QG2 ILE 58 - HB ILE 136 OK 25 96 - 26 - 8273=5, 10416/8326=3...(7) Peak 9683 from cnoeabs.peaks (0.60, 0.88, 16.73 ppm; 3.56 A): 2 out of 2 assignments used, quality = 0.80: QD1 LEU 132 + QG2 ILE 136 OK 59 68 - 88 - 9685/3.0=15...(42) QD1 ILE 56 + QG2 ILE 136 OK 52 99 - 53 - 9681/3.2=9, 1481=8...(17) Peak 9684 from cnoeabs.peaks (0.59, 1.65, 28.66 ppm; 4.10 A): 3 out of 8 assignments used, quality = 0.99: QD1 LEU 132 + HG13 ILE 136 OK 92 96 - 96 - ~9686=25, 9685/2.1=23...(41) QG1 VAL 71 + HG13 ILE 136 OK 64 81 - 79 - 9685/2.1=14, 9683/2.3=12...(27) QD1 ILE 56 + HG13 ILE 136 OK 54 99 - 55 - 9683/2.3=15, 9685/2.1=11...(14) QD1 LEU 132 - HD3 LYS 93 OK 17 75 - 23 - ~10092=4, 10422=4...(5) QG1 VAL 71 - HD3 LYS 93 poor 9 60 - 15 - ~8520=1 QD1 ILE 56 - HD3 LYS 93 poor 9 79 - 11 - 10597/1.8=2, 8335/3.0=1 QG2 ILE 58 - HG13 ILE 136 poor 8 62 - 14 - 10024/10023=2...(7) QG2 ILE 58 - HD3 LYS 93 lone 2 45 - 5 - 4.0/6521=1 Peak 9685 from cnoeabs.peaks (0.59, 0.76, 13.00 ppm; 2.92 A): 3 out of 3 assignments used, quality = 0.89: QD1 LEU 132 + QD1 ILE 136 OK 71 89 - 80 - 2.1/9686=25, 10297=16...(30) QG1 VAL 71 + QD1 ILE 136 OK 39 68 - 57 - 9685=12, 9683/3.0=5...(24) QD1 ILE 56 + QD1 ILE 136 OK 35 100 - 35 - 9683/3.0=8, 9681/4.2=4...(8) Peak 9686 from cnoeabs.peaks (0.41, 0.76, 13.00 ppm; 3.23 A): 3 out of 3 assignments used, quality = 0.85: QD2 LEU 132 + QD1 ILE 136 OK 79 89 - 89 - 9686=36, 2.1/9685=18...(38) HG3 LYS 123 + QD1 ILE 136 OK 15 62 - 24 - 9686=6, 9687/3.0=6...(8) QG2 VAL 82 + QD1 ILE 136 OK 14 62 - 23 - 4.4/10454=5, 2.1/9688=4...(4) Peak 9688 from cnoeabs.peaks (1.37, 0.76, 13.00 ppm; 3.16 A): 5 out of 5 assignments used, quality = 0.94: HG LEU 132 + QD1 ILE 136 OK 79 92 - 86 - 2.1/9686=28, 9688=21...(37) HB3 LEU 39 + QD1 ILE 136 OK 44 94 - 46 - 9688=11, 1.8/4639=6...(16) HB2 LEU 69 + QD1 ILE 136 OK 24 68 - 36 - 9688=6, 3.0/8468=4...(12) HB VAL 82 + QD1 ILE 136 OK 21 100 - 21 - 4.5/10454=5, 2.1/9686=4...(5) HB2 ARG 109 + QD1 ILE 136 OK 16 81 - 20 - 3.6/9668=7, 3.0/9271=3...(5) Peak 9689 from cnoeabs.peaks (1.53, 0.76, 13.00 ppm; 3.47 A): 5 out of 9 assignments used, quality = 0.94: QB ALA 135 + QD1 ILE 136 OK 58 89 - 65 - 10964/2.1=20...(17) HG2 LYS 93 + QD1 ILE 136 OK 48 98 - 49 - 10339/2.1=7, 9689=5...(24) HG3 PRO 57 + QD1 ILE 136 OK 38 68 - 57 - 9689=9, 2.3/9672=7...(29) HG3 LYS 76 + QD1 ILE 136 OK 36 98 - 37 - 9689=7, 10092/9686=5...(14) HD2 LYS 76 + QD1 ILE 136 OK 35 100 - 35 - 1.8/9688=5, 3.0/9689=4...(15) HB2 LEU 29 - QD1 ILE 136 OK 17 92 - 18 - 3.0/9672=6, 9689=3...(6) HG3 LYS 85 - QD1 ILE 136 lone 6 77 - 8 - 9689=2 HG2 ARG 55 - QD1 ILE 136 lone 6 77 - 7 - ~8249=3, 3.0/11135=1 HG3 ARG 55 - QD1 ILE 136 lone 5 68 - 7 - ~8249=3, 3.0/11135=1 Peak 9691 from cnoeabs.peaks (1.51, 1.91, 37.90 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.93: HG3 PRO 57 + HB ILE 136 OK 70 94 - 75 - ~8263=11, ~10631=9...(30) QB ALA 135 + HB ILE 136 OK 59 77 - 76 - 10964/2.9=20...(17) HB2 LYS 123 + HB ILE 136 OK 42 98 - 43 - ~9687=22, 4.2/4603=7...(8) HB2 GLU 122 - HB ILE 136 OK 20 100 - 20 - 9689/2.5=3, 9693/3.0=2...(8) HG3 LYS 85 - HB ILE 136 OK 18 89 - 20 - ~9692=7, 9693/3.0=3...(5) HB2 LEU 29 - HB ILE 136 OK 15 72 - 20 - ~9672=6, 9689/2.5=3...(7) HG2 LYS 34 - HB ILE 136 lone 5 77 - 6 - 9694/4.6=2 Peak 9692 from cnoeabs.peaks (1.33, 3.71, 64.37 ppm; 4.48 A): 0 out of 2 assignments used, low quality = 0.24: QB ALA 60 - HA ILE 136 OK 24 81 - 29 - 8326/3.0=7, 9816/4.9=4...(8) HG2 LYS 85 - HA ILE 136 poor 10 96 - 10 - 1.8/9693=4, ~9691=2, ~7745=1 Peak 9693 from cnoeabs.peaks (1.52, 3.71, 64.37 ppm; 4.01 A): 4 out of 8 assignments used, quality = 0.94: QB ALA 135 + HA ILE 136 OK 77 100 - 77 - 4590/2.9=21...(15) HG3 PRO 57 + HA ILE 136 OK 45 92 - 49 - ~8263=6, 1538/3.7=5...(20) HG2 LYS 93 + HA ILE 136 OK 34 100 - 34 - 10339/3.7=6, 9689/4.2=5...(14) HD2 LYS 76 + HA ILE 136 OK 32 98 - 33 - ~10464=9, 7745/2.9=4...(11) HG3 LYS 76 - HA ILE 136 OK 29 100 - 29 - ~10464=7, 7745/2.9=4...(9) HB2 LYS 123 - HA ILE 136 OK 27 85 - 32 - ~9687=12, 4.2/4591=5...(8) HG3 LYS 85 - HA ILE 136 OK 18 96 - 18 - 1.8/9692=9, 7745/2.9=2...(4) HB2 LEU 29 - HA ILE 136 OK 13 100 - 13 - 7745/2.9=3, 4581/4.9=2...(4) Peak 9703 from cnoeabs.peaks (1.74, 4.46, 56.38 ppm; 4.39 A): 4 out of 9 assignments used, quality = 0.93: HG3 ARG 140 + HA ASP 137 OK 82 100 - 82 - 10498=26, 2.9/4722=17...(20) HG3 ARG 89 + HA ASP 137 OK 52 77 - 68 - 1.8/10372=31...(15) HG LEU 66 + HA ASP 137 OK 16 72 - 22 - ~9897=6, ~8404=5...(6) HB2 ARG 49 + HA ASP 137 OK 11 99 - 11 - 9698/3.6=3, 1248/4.9=2 HD2 LYS 36 - HA ASP 137 lone 7 98 - 7 - 9698/3.6=4 HB2 GLU 81 - HA ASP 137 lone 6 100 - 6 - 9698/3.6=1 HB3 GLU 81 - HA ASP 137 lone 4 85 - 5 - HB3 ARG 144 - HA ASP 137 lone 4 94 - 4 - HB3 ARG 109 - HA ASP 137 lone 3 62 - 4 - 2903/10499=1 Peak 9704 from cnoeabs.peaks (1.66, 4.46, 56.38 ppm; 4.67 A): 3 out of 12 assignments used, quality = 1.00: HG13 ILE 136 + HA ASP 137 OK 96 100 - 97 - 2.3/9679=26, 4634/2.9=22...(33) HG2 ARG 140 + HA ASP 137 OK 82 100 - 82 - 1.8/10498=23...(22) HG2 ARG 89 + HA ASP 137 OK 68 89 - 76 - 10372=30, 3.0/10499=30...(20) HD3 LYS 93 - HA ASP 137 OK 25 96 - 26 - 4634/2.9=5, 3.4/4650=3...(7) HB2 MET 68 - HA ASP 137 OK 20 98 - 20 - ~10471=3, 7764/2.9=3...(7) HG2 ARG 124 - HA ASP 137 OK 19 96 - 20 - 7764/2.9=3, 4596/5.0=3...(9) HB2 LEU 95 - HA ASP 137 OK 18 89 - 21 - 3.0/9703=5, 3128/4.9=3...(7) HB2 LYS 114 - HA ASP 137 OK 18 96 - 19 - ~9710=2, 4.9/4646=2...(8) HB2 PRO 57 - HA ASP 137 OK 15 94 - 16 - 8263/9679=3, 4596/5.0=3 HB VAL 71 - HA ASP 137 OK 11 89 - 12 - 4596/5.0=2, 7764/2.9=1...(4) HD2 LYS 48 - HA ASP 137 lone 6 89 - 7 - 6.0/6430=2 HB2 ARG 145 - HA ASP 137 lone 3 77 - 4 - Peak 9705 from cnoeabs.peaks (0.85, 4.46, 56.38 ppm; 3.50 A): 3 out of 4 assignments used, quality = 0.49: QG2 ILE 83 + HA ASP 137 OK 34 99 - 34 - 11041/5.0=9, 2.1/9703=6...(8) QG2 ILE 56 + HA ASP 137 OK 13 68 - 20 - 3.1/11203=8, 9705=4, 9711/3.0=2 QD2 LEU 97 + HA ASP 137 OK 12 98 - 12 - 2.1/9705=2, ~7762=1 QD1 LEU 64 - HA ASP 137 lone 4 92 - 5 - Peak 9706 from cnoeabs.peaks (1.91, 2.74, 40.38 ppm; 4.87 A): 2 out of 13 assignments used, quality = 0.97: HB ILE 136 + HB3 ASP 137 OK 90 100 - 91 - 4.6/4658=30, ~9676=19...(22) HB ILE 101 + HB3 ASP 137 OK 66 92 - 72 - 3.0/9707=22, ~9711=12...(15) HB3 ARG 89 - HB3 ASP 137 OK 44 89 - 50 - ~10372=16, 9709/1.8=7...(11) HG13 ILE 83 - HB3 ASP 137 OK 32 98 - 33 - ~9705=11, ~9711=6...(7) QE MET 68 - HB3 ASP 137 OK 12 100 - 12 - 7761/3.8=2, 9697/4.5=2...(4) HB2 LYS 86 - HB3 ASP 137 OK 12 94 - 12 - 2.9/9707=3, ~9710=2, ~9710=2 HB3 LEU 69 - HB3 ASP 137 lone 10 99 - 10 - 9709/1.8=1, 7761/3.8=1 HB3 GLN 111 - HB3 ASP 137 lone 8 81 - 9 - 9697/4.5=2, 9709/1.8=2...(4) HB2 LYS 24 - HB3 ASP 137 lone 7 89 - 7 - 3354/9707=1 HB2 PRO 118 - HB3 ASP 137 lone 6 77 - 8 - 4712/3.0=3, 7761/3.8=2 HB2 MET 59 - HB3 ASP 137 lone 5 85 - 6 - 3354/9707=1 HB3 LEU 132 - HB3 ASP 137 lone 5 62 - 9 - 7761/3.8=2, 3.2/9575=2 HG3 PRO 12 - HB3 ASP 137 lone 4 68 - 5 - ~9703=2 Peak 9707 from cnoeabs.peaks (1.47, 2.74, 40.38 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.83: QB ALA 134 + HB3 ASP 137 OK 80 94 - 85 - 9710/1.8=31, ~4572=27...(10) HB2 LYS 76 + HB3 ASP 137 OK 15 68 - 22 - 9710/1.8=8, 2.9/2247=3...(8) HG3 LYS 86 - HB3 ASP 137 lone 10 99 - 10 - 9710/1.8=4, 2.9/9706=2 HG LEU 126 - HB3 ASP 137 lone 5 89 - 5 - 9710/1.8=2 HB3 LEU 29 - HB3 ASP 137 lone 3 62 - 5 - 4569/4573=1, 9710/1.8=1 Peak 9708 from cnoeabs.peaks (0.89, 2.74, 40.38 ppm; 4.78 A): 3 out of 7 assignments used, quality = 0.95: QG2 ILE 136 + HB3 ASP 137 OK 69 81 - 85 - 4.3/4658=32, 9676/1.8=19...(18) QD1 ILE 101 + HB3 ASP 137 OK 61 92 - 67 - 2.1/9707=24, ~9711=9...(15) QG2 ILE 101 + HB3 ASP 137 OK 56 81 - 69 - 3.2/9707=21, 3.2/4657=10...(15) QG2 VAL 80 - HB3 ASP 137 OK 18 100 - 18 - 9702/4.5=12, 7762/3.8=2 QD1 LEU 97 - HB3 ASP 137 OK 11 72 - 16 - ~9705=5, 7762/3.8=2...(4) QG1 VAL 53 - HB3 ASP 137 poor 8 77 - 11 - 9702/4.5=4, 4.0/8244=2...(4) QG1 VAL 63 - HB3 ASP 137 poor 8 72 - 10 - 9702/4.5=3, ~8364=3, 10932=2 Peak 9709 from cnoeabs.peaks (1.90, 2.69, 40.38 ppm; 4.65 A): 4 out of 12 assignments used, quality = 0.98: HB ILE 136 + HB2 ASP 137 OK 77 89 - 87 - 4.6/4652=28, ~9679=15...(20) HB ILE 101 + HB2 ASP 137 OK 68 100 - 68 - 2.1/9711=14, ~9707=14...(15) HB3 ARG 140 + HB2 ASP 137 OK 60 81 - 74 - 4722/3.0=13, ~4712=12...(17) HB3 ARG 89 + HB2 ASP 137 OK 47 100 - 48 - ~10372=14, 4650/3.0=7...(11) HG13 ILE 83 - HB2 ASP 137 OK 26 81 - 32 - ~9705=10, 3.2/9711=7...(7) HB3 LYS 93 - HB2 ASP 137 OK 15 77 - 19 - 4650/3.0=3, 9697/4.5=2...(7) QE MET 68 - HB2 ASP 137 OK 10 99 - 10 - 7761/3.8=2, 9706/1.8=2 HB3 GLN 111 - HB2 ASP 137 lone 9 98 - 10 - 9697/4.5=2, 4650/3.0=2 HB3 LEU 69 - HB2 ASP 137 lone 8 100 - 8 - 9697/4.5=1, 7761/3.8=1 HB2 LYS 86 - HB2 ASP 137 poor 8 72 - 10 - 2.9/9710=3, 9706/1.8=2, ~9707=2 HB2 LYS 24 - HB2 ASP 137 lone 7 100 - 7 - HB3 ARG 141 - HB2 ASP 137 lone 4 62 - 7 - 4650/3.0=2, 9697/4.5=2 Peak 9710 from cnoeabs.peaks (1.47, 2.69, 40.38 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.74: QB ALA 134 + HB2 ASP 137 OK 68 85 - 80 - 2.1/4572=31, 10323=25...(8) HB2 LYS 76 + HB2 ASP 137 OK 18 81 - 21 - 9707/1.8=4, ~2247=2...(10) HG3 LYS 86 - HB2 ASP 137 lone 8 100 - 8 - 9707/1.8=3, ~9706=1 HG LEU 126 - HB2 ASP 137 lone 4 96 - 4 - 9707/1.8=1 Peak 9711 from cnoeabs.peaks (0.88, 2.69, 40.38 ppm; 5.06 A): 3 out of 6 assignments used, quality = 0.99: QG2 ILE 136 + HB2 ASP 137 OK 87 98 - 89 - 4.3/4652=35, 9679/3.0=26...(19) QG2 ILE 101 + HB2 ASP 137 OK 75 98 - 77 - ~9707=16, 9705/3.0=11...(17) QD1 ILE 101 + HB2 ASP 137 OK 65 92 - 70 - ~9707=20, 9708/1.8=10...(15) QD1 LEU 97 - HB2 ASP 137 OK 20 100 - 20 - ~9705=6, 9705/3.0=3...(5) QG2 ILE 56 - HB2 ASP 137 OK 18 77 - 24 - ~11203=10, 11204/3.0=8 HB3 LEU 42 - HB2 ASP 137 OK 14 89 - 15 - 4.5/6332=7, 3.2/10920=4, ~9070=2 Peak 9713 from cnoeabs.peaks (3.23, 4.46, 56.38 ppm; 4.39 A): 4 out of 6 assignments used, quality = 0.95: HD2 ARG 140 + HA ASP 137 OK 65 99 - 66 - 2.9/10498=17...(15) HD3 ARG 89 + HA ASP 137 OK 64 94 - 68 - 10499=34, 3.0/10372=25...(13) HD3 ARG 140 + HA ASP 137 OK 52 81 - 65 - 2.9/10498=17...(14) HD3 ARG 124 + HA ASP 137 OK 11 85 - 13 - 10334/9679=2, 3.0/9704=1...(4) HG3 MET 46 - HA ASP 137 lone 4 77 - 5 - 5.1/6377=1 HB3 TYR 117 - HA ASP 137 lone 2 89 - 2 - Peak 9715 from cnoeabs.peaks (3.18, 4.26, 60.42 ppm; 4.24 A): 0 out of 5 assignments used, low quality = 0.35: HD2 ARG 144 - HA SER 138 OK 19 100 - 19 - 3.0/9718=5, 3.0/9718=5...(6) HD3 ARG 144 - HA SER 138 OK 19 96 - 20 - 3.0/9718=5, 3.0/9718=5...(6) HA VAL 73 - HA SER 138 lone 9 94 - 9 - 10347/3.0=2, 10347/3.0=2...(4) HD3 ARG 55 - HA SER 138 lone 3 99 - 3 - HD2 ARG 55 - HA SER 138 lone 3 100 - 3 - Peak 9716 from cnoeabs.peaks (2.68, 4.26, 60.42 ppm; 4.48 A): 0 out of 4 assignments used, low quality = 0.31: HB2 PHE 43 - HA SER 138 OK 18 94 - 19 - ~7779=6, 7778/2.9=4...(6) HB3 ASP 13 - HA SER 138 OK 16 96 - 17 - 122/2.9=6, ~117=5...(4) HB3 TYR 115 - HA SER 138 poor 9 81 - 11 - ~9714=5, 122/2.9=4, 4645/4.9=1 HB2 ASP 32 - HA SER 138 poor 8 68 - 12 - 3.0/10350=4, ~10484=2...(5) Peak 9717 from cnoeabs.peaks (1.89, 4.26, 60.42 ppm; 3.58 A): 5 out of 10 assignments used, quality = 0.77: HB3 ARG 141 + HA SER 138 OK 38 100 - 38 - 1.8/10469=14, 3.5/9715=6...(10) HB3 ARG 140 + HA SER 138 OK 31 96 - 32 - 4.0/7816=7, 4722/4.9=6...(13) HB3 LYS 93 + HA SER 138 OK 29 98 - 29 - 1.8/10344=11...(8) HB2 ARG 144 + HA SER 138 OK 15 68 - 23 - 4.0/9715=6, 4.0/9715=6...(5) HB3 GLN 111 + HA SER 138 OK 11 77 - 14 - 3.0/10348=3, 2.9/10485=2...(4) HB ILE 101 - HA SER 138 poor 10 62 - 16 - 4650/4.9=3, ~9699=3...(5) HB2 LYS 36 - HA SER 138 poor 9 72 - 13 - 3.6/10469=4, ~10474=3...(4) HB3 LYS 48 - HA SER 138 lone 7 81 - 8 - 2.9/9718=1, 3.6/10468=1 HB3 ARG 89 - HA SER 138 lone 7 68 - 10 - 4650/4.9=3, 2.8/10468=2 HB2 LYS 24 - HA SER 138 lone 4 68 - 5 - Peak 9718 from cnoeabs.peaks (1.60, 4.26, 60.42 ppm; 4.55 A): 7 out of 13 assignments used, quality = 0.84: HG2 ARG 141 + HA SER 138 OK 48 98 - 49 - 2.8/10469=16...(10) HG2 ARG 144 + HA SER 138 OK 32 100 - 32 - 3.0/9715=13, 3.0/9715=12...(4) HG3 ARG 144 + HA SER 138 OK 19 62 - 31 - 3.0/9715=13, 3.0/9715=12...(4) HG3 LYS 36 + HA SER 138 OK 18 92 - 19 - 2.9/10469=7, ~9700=4...(5) HG3 ARG 49 + HA SER 138 OK 14 72 - 19 - 3.0/1248=3, 3.0/1257=3...(7) HG3 LYS 48 + HA SER 138 OK 13 100 - 13 - 3.0/10468=2, 2.9/9717=2...(4) HB2 LEU 97 + HA SER 138 OK 11 99 - 11 - 3.0/10468=2, 3.1/10948=1 HB2 LEU 79 - HA SER 138 lone 8 96 - 8 - 3.1/3152=1, ~8729=1, ~8729=1 HG LEU 108 - HA SER 138 lone 7 96 - 7 - ~9257=2, ~9257=1 HB2 LEU 87 - HA SER 138 lone 4 68 - 6 - 3.0/10350=2 HB3 LEU 64 - HA SER 138 lone 3 62 - 5 - ~9723=2 HD2 LYS 61 - HA SER 138 lone 2 92 - 2 - HD3 LYS 61 - HA SER 138 lone 2 92 - 2 - Peak 9719 from cnoeabs.peaks (2.77, 4.00, 62.89 ppm; 5.04 A): 6 out of 14 assignments used, quality = 0.92: HE2 LYS 114 + HB3 SER 138 OK 55 81 - 68 - 10470/3.0=10, 1.8/3821=9...(17) HE2 LYS 114 + HB2 SER 138 OK 55 81 - 68 - 10470/3.0=10, 1.8/3821=9...(17) HB3 ASN 84 + HB2 SER 138 OK 23 81 - 29 - ~10349=16, 10348/3.0=12 HB3 ASN 84 + HB3 SER 138 OK 23 81 - 29 - ~10349=16, 10348/3.0=12 HB3 TYR 119 + HB2 SER 138 OK 20 77 - 25 - ~10709=9, 1.8/10709=9...(5) HB3 TYR 119 + HB3 SER 138 OK 19 77 - 25 - ~10709=10, 1.8/10709=7...(5) HB2 ASP 41 - HB2 SER 138 OK 15 100 - 15 - 10470/3.0=5, ~10472=4, ~10348=3 HB2 ASP 41 - HB3 SER 138 OK 15 100 - 15 - 10470/3.0=5, ~10472=4, ~10348=3 HG3 GLN 111 - HB2 SER 138 OK 15 85 - 18 - 10348/3.0=6, 3.9/10486=3...(7) HG3 GLN 111 - HB3 SER 138 OK 15 85 - 17 - 10348/3.0=6, 3.9/10486=3...(7) HE3 LYS 76 - HB2 SER 138 OK 14 92 - 15 - 10470/3.0=3, ~10470=1 HE3 LYS 76 - HB3 SER 138 OK 14 92 - 15 - 10470/3.0=3, ~10470=1 HE2 LYS 76 - HB2 SER 138 OK 11 77 - 14 - 10470/3.0=2, ~10470=2 HE2 LYS 76 - HB3 SER 138 OK 11 77 - 14 - 10470/3.0=2, ~10470=2 Peak 9721 from cnoeabs.peaks (1.51, 4.00, 62.89 ppm; 4.17 A): 6 out of 14 assignments used, quality = 0.96: HB2 GLU 122 + HB2 SER 138 OK 43 100 - 43 - 4066=7, 4066/1.8=6...(14) HB2 GLU 122 + HB3 SER 138 OK 43 100 - 43 - 4066=6, 4066/1.8=6...(14) QB ALA 135 + HB2 SER 138 OK 42 62 - 67 - 2.1/4584=16, ~4585=11...(17) QB ALA 135 + HB3 SER 138 OK 42 62 - 67 - 2.1/4584=16, ~4585=11...(17) HD3 LYS 114 + HB3 SER 138 OK 38 57 - 66 - 1.8/3788=8, 2.9/3777=7...(23) HD3 LYS 114 + HB2 SER 138 OK 38 57 - 66 - 1.8/3788=8, 2.9/3777=7...(23) HB2 LYS 123 - HB2 SER 138 poor 9 92 - 10 - 9699/4.0=4, 3.9/7524=2 HB2 LYS 123 - HB3 SER 138 poor 9 92 - 10 - 9699/4.0=4, 3.9/7524=2 HG2 LYS 34 - HB2 SER 138 lone 9 89 - 10 - 9699/4.0=4 HG2 LYS 34 - HB3 SER 138 lone 9 89 - 10 - 9699/4.0=4 HG3 PRO 57 - HB2 SER 138 lone 5 85 - 6 - 9699/4.0=1 HG3 PRO 57 - HB3 SER 138 lone 5 85 - 5 - 9699/4.0=1 HG3 LYS 85 - HB2 SER 138 lone 3 77 - 4 - HG3 LYS 85 - HB3 SER 138 lone 3 77 - 4 - Peak 9722 from cnoeabs.peaks (1.89, 4.00, 62.89 ppm; 5.89 A): 5 out of 18 assignments used, quality = 0.97: HB3 ARG 141 + HB3 SER 138 OK 57 100 - 58 - ~10469=16, ~10344=14...(12) HB3 ARG 141 + HB2 SER 138 OK 57 100 - 58 - ~10469=16, ~10344=14...(12) HB3 LYS 93 + HB3 SER 138 OK 46 100 - 45 - ~10344=13, ~10345=11...(8) HB3 LYS 93 + HB2 SER 138 OK 46 100 - 45 - ~10344=13, ~10345=11...(8) HB3 ARG 140 + HB3 SER 138 OK 39 100 - 40 - 4.0/9751=12, 9717/3.0=10...(13) HB3 ARG 140 - HB2 SER 138 OK 39 100 - 40 - 4.0/9751=12, 9717/3.0=10...(13) HB3 LEU 69 - HB2 SER 138 OK 32 68 - 47 - 1.8/2012=5, 3.2/2045=4...(18) HB3 LEU 69 - HB3 SER 138 OK 32 68 - 47 - 1.8/2012=5, ~2012=4...(18) HB3 GLN 111 - HB2 SER 138 OK 29 94 - 31 - ~10348=5, ~10485=5...(9) HB3 GLN 111 - HB3 SER 138 OK 29 94 - 31 - ~10348=5, ~10485=5...(9) HB ILE 101 - HB2 SER 138 OK 29 85 - 33 - 2.1/9723=5, 3.2/9179=5...(7) HB ILE 101 - HB3 SER 138 OK 29 85 - 33 - 2.1/9723=5, 3.2/9179=5...(7) HB3 ARG 89 - HB2 SER 138 OK 11 89 - 12 - 9717/3.0=3, 9697/4.0=2...(4) HB3 ARG 89 - HB3 SER 138 OK 11 89 - 12 - 9717/3.0=3, 9697/4.0=2...(4) HB2 LYS 24 - HB2 SER 138 lone 9 89 - 10 - ~9717=1, 9717/3.0=1, 9697/4.0=1 HB2 LYS 24 - HB3 SER 138 lone 9 89 - 10 - ~9717=1, 9717/3.0=1, 9697/4.0=1 HB3 LYS 48 - HB2 SER 138 lone 6 57 - 10 - ~9718=2, ~9718=2, 9717/3.0=2 HB3 LYS 48 - HB3 SER 138 lone 6 57 - 10 - ~9718=2, ~9718=2, 9717/3.0=2 Peak 9723 from cnoeabs.peaks (0.87, 4.00, 62.89 ppm; 3.87 A): 6 out of 14 assignments used, quality = 0.67: QG2 ILE 136 + HB2 SER 138 OK 25 89 - 28 - 4.3/10481=9, 9727/4.7=5...(7) QG2 ILE 136 + HB3 SER 138 OK 25 89 - 28 - 4.3/10481=9, 9727/4.7=5...(7) QG2 ILE 101 + HB2 SER 138 OK 14 89 - 16 - 3.1/9179=3, ~9179=2...(7) QG2 ILE 101 + HB3 SER 138 OK 14 89 - 16 - 3.1/9179=3, ~9179=2...(7) QD1 ILE 101 + HB2 SER 138 OK 11 77 - 14 - 9179=3, 9179/1.8=3...(4) QD1 ILE 101 + HB3 SER 138 OK 11 77 - 14 - 9179=3, 9179/1.8=3...(4) QD1 LEU 97 - HB2 SER 138 lone 7 94 - 8 - 9113/3.0=1 QD1 LEU 97 - HB3 SER 138 lone 7 94 - 8 - 9113/3.0=1 HB3 LEU 42 - HB3 SER 138 lone 4 98 - 4 - HB3 LEU 42 - HB2 SER 138 lone 4 98 - 4 - QG2 ILE 56 - HB2 SER 138 lone 3 92 - 3 - QG2 ILE 56 - HB3 SER 138 lone 3 92 - 3 - QD1 LEU 64 - HB2 SER 138 lone 2 68 - 3 - QD1 LEU 64 - HB3 SER 138 lone 2 68 - 3 - Peak 9729 from cnoeabs.peaks (0.86, 2.82, 39.01 ppm; 3.57 A): 2 out of 10 assignments used, quality = 0.68: QG2 ILE 83 + HB2 ASN 139 OK 61 100 - 61 - 10026/1.8=26...(8) QG2 ILE 56 + HB2 ASN 139 OK 17 92 - 18 - 3.1/8258=6, 9733/3.5=4...(5) QD1 LEU 64 - HB2 ASN 139 lone 9 100 - 9 - 10363/3.0=3, ~10495=2 QG2 ILE 83 - HB2 ASP 40 poor 9 51 - 18 - 10777/4.4=4, 10016/3.0=4...(6) HB3 LEU 42 - HB2 ASN 139 lone 5 81 - 6 - ~8148=2, 10363/3.0=1 QD2 LEU 97 - HB2 ASN 139 lone 1 81 - 2 - QG2 ILE 56 - HB2 ASP 40 lone 1 42 - 3 - QD1 LEU 64 - HB2 ASP 40 lone 1 51 - 1 - HB3 LEU 42 - HB2 ASP 40 lone 0 36 - 1 - QD2 LEU 97 - HB2 ASP 40 lone 0 36 - 1 - Peak 9741 from cnoeabs.peaks (1.73, 2.82, 39.01 ppm; 4.42 A): 9 out of 18 assignments used, quality = 0.92: HG3 ARG 140 + HB2 ASN 139 OK 53 96 - 56 - 4.9/7819=17...(9) HB2 GLU 81 + HB2 ASN 139 OK 32 98 - 33 - 10493/1.8=6, ~10362=6...(8) HB3 GLU 81 + HB2 ASN 139 OK 32 94 - 34 - 10493/1.8=7, 3.0/757=6...(8) HG3 ARG 89 + HB2 ASN 139 OK 23 89 - 26 - 7827/4.6=5, 10493/1.8=4...(9) HB3 ARG 144 + HB2 ASN 139 OK 18 99 - 18 - 10493/1.8=4, 9731/3.5=3...(6) HB2 ARG 49 + HB2 ASN 139 OK 14 94 - 14 - 8201/4.6=3, 10493/1.8=2...(7) HB2 GLU 81 + HB2 ASP 40 OK 13 48 - 27 - 3.0/757=5, ~756=3...(11) HB3 GLU 81 + HB2 ASP 40 OK 12 44 - 27 - 3.0/757=5, ~756=3...(10) HD2 LYS 36 + HB2 ASN 139 OK 12 100 - 12 - 9731/3.5=4, 10493/1.8=2...(5) HG LEU 66 - HB2 ASN 139 lone 8 85 - 10 - 9731/3.5=2, 9741=2...(5) HB3 ARG 109 - HB2 ASN 139 lone 6 77 - 7 - 2.8/9740=2, 10362/3.0=1...(4) HG3 ARG 140 - HB2 ASP 40 poor 5 46 - 12 - 3.8/10368=4, 4.9/7819=4 HB2 ARG 49 - HB2 ASP 40 lone 3 44 - 6 - 1247/4.4=2, ~6279=1 HG LEU 66 - HB2 ASP 40 lone 3 38 - 7 - ~6282=5 HD2 LYS 36 - HB2 ASP 40 lone 2 51 - 3 - HG3 ARG 89 - HB2 ASP 40 lone 1 40 - 3 - HB3 ARG 109 - HB2 ASP 40 lone 1 33 - 4 - ~6279=2 HB3 ARG 144 - HB2 ASP 40 lone 1 49 - 2 - Peak 9742 from cnoeabs.peaks (1.91, 2.82, 39.01 ppm; 4.87 A): 3 out of 26 assignments used, quality = 0.97: HB ILE 136 + HB2 ASN 139 OK 85 96 - 88 - 3.0/4600=32, ~4601=22...(15) HG13 ILE 83 + HB2 ASN 139 OK 68 92 - 74 - 3.2/9729=25, ~10026=21...(10) HB3 ARG 140 + HB2 ASN 139 OK 42 68 - 62 - 4.0/7819=26...(7) HB3 GLN 111 - HB2 ASN 139 OK 34 92 - 37 - ~10361=6, 3628/3.0=5...(13) HB3 ARG 89 - HB2 ASN 139 OK 22 96 - 23 - 7825/4.6=5, ~10362=5...(7) QE MET 68 - HB2 ASP 40 OK 18 51 - 35 - 8454/3.3=32, 10447/1.8=2 HG13 ILE 83 - HB2 ASP 40 poor 9 42 - 22 - ~6282=5, 3.2/9729=4...(7) HB ILE 101 - HB2 ASN 139 lone 7 98 - 7 - 7825/4.6=1, 9725/4.0=1 QE MET 68 - HB2 ASN 139 lone 7 100 - 7 - 8454/6284=2 HB2 LYS 24 - HB2 ASN 139 lone 7 96 - 7 - 11371/3.0=2 HB ILE 136 - HB2 ASP 40 poor 7 46 - 15 - 3.0/4600=5, ~6278=3...(5) HB2 PRO 118 - HB2 ASN 139 poor 6 62 - 10 - ~10358=2, 7824/4.6=1...(5) HB3 LEU 69 - HB2 ASN 139 lone 6 100 - 6 - 9725/4.0=1 HB2 LYS 86 - HB2 ASN 139 lone 6 85 - 7 - 9736/3.5=3 HB3 LEU 69 - HB2 ASP 40 lone 5 51 - 10 - ~6279=4, ~2007=4 HB2 MET 59 - HB2 ASN 139 lone 4 72 - 6 - 8299/9729=2 HB3 ARG 140 - HB2 ASP 40 poor 4 28 - 15 - 3.0/10368=6, 4.0/7819=5 HB3 LYS 93 - HB2 ASN 139 lone 3 62 - 6 - ~10362=1, 7825/4.6=1 HB2 LYS 86 - HB2 ASP 40 lone 2 38 - 5 - ~8867=2 HB3 ARG 89 - HB2 ASP 40 lone 1 46 - 3 - HB ILE 101 - HB2 ASP 40 lone 1 48 - 2 - HB3 GLN 111 - HB2 ASP 40 lone 1 42 - 3 - HB2 LYS 24 - HB2 ASP 40 lone 1 46 - 2 - HB2 MET 59 - HB2 ASP 40 lone 1 31 - 3 - ~6280=1 HB3 LYS 93 - HB2 ASP 40 lone 1 26 - 2 - HB2 PRO 118 - HB2 ASP 40 lone 1 26 - 2 - Peak 9754 from cnoeabs.peaks (4.27, 3.97, 45.14 ppm; 4.32 A): 0 out of 9 assignments used, low quality = 0.29: HA ARG 49 - HA3 GLY 143 OK 29 100 - 30 - 8198/1.8=11, 8200/3.5=10...(5) HA LEU 95 - HA3 GLY 143 lone 5 100 - 5 - 4.0/9066=2 HA2 GLY 50 - HA3 GLY 143 lone 5 94 - 5 - 10383/1.8=4 HA SER 138 - HA3 GLY 143 lone 3 98 - 3 - HB THR 99 - HA3 GLY 143 lone 2 99 - 2 - HA ALA 135 - HA3 GLY 143 lone 2 92 - 2 - HA ARG 140 - HA3 GLY 143 lone 2 94 - 2 - HA3 GLY 78 - HA3 GLY 143 lone 1 85 - 1 - HA PRO 118 - HA3 GLY 143 lone 1 81 - 1 - Peak 9757 from cnoeabs.peaks (6.98, 4.61, 55.75 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.78: HD2 HIS 10 + HA HIS 10 OK 78 98 - 80 - 4.6=60, 9758/3.0=29, 4.0/5=29 QE PHE 43 - HA HIS 10 lone 1 72 - 1 - HZ PHE 67 - HA HIS 10 lone 0 62 - 1 - HH2 TRP 17 - HA HIS 10 lone 0 72 - 0 - Peak 9758 from cnoeabs.peaks (6.98, 3.05, 30.06 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.88: * HD2 HIS 10 + HB2 HIS 10 OK 88 100 - 88 - 4.0=78, 9759/1.8=31, 9757/3.0=23 QD PHE 38 - HB2 HIS 10 lone 3 67 - 5 - 9759/1.8=4 Peak 9759 from cnoeabs.peaks (6.97, 3.10, 30.06 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.94: HD2 HIS 10 + HB3 HIS 10 OK 93 98 - 95 - 4.0=89, 9758/1.8=37...(4) QD PHE 38 + HB3 HIS 10 OK 11 85 - 13 - 4.3/11003=11, 9758/1.8=1 Peak 9766 from cnoeabs.peaks (7.30, 1.92, 27.30 ppm; 4.51 A): 6 out of 12 assignments used, quality = 0.88: HZ2 TRP 17 + HG2 PRO 12 OK 47 77 - 62 - ~10949=17, ~11252=14...(8) HZ2 TRP 17 + HG3 PRO 12 OK 46 75 - 62 - ~10949=17, ~11252=14...(8) QD TYR 115 + HG2 PRO 12 OK 26 88 - 29 - 9771/2.3=7, 10665=6...(7) QD TYR 115 + HG3 PRO 12 OK 22 87 - 26 - 9771/2.3=7, 10665/1.8=6...(6) H PHE 67 + HG2 PRO 12 OK 16 96 - 17 - 11048/2.3=6, 9771/2.3=4...(4) H PHE 67 + HG3 PRO 12 OK 16 95 - 17 - 11048/2.3=6, 9771/2.3=4...(4) H ASP 30 - HG2 PRO 12 poor 10 81 - 12 - 9771/2.3=4, 10665=3, 9769/2.3=3 H ASP 30 - HG3 PRO 12 poor 10 80 - 12 - 9771/2.3=4, 10665/1.8=3 H ARG 35 - HG2 PRO 12 lone 6 67 - 9 - 3.6/93=2, ~584=2, ~584=2 H ARG 35 - HG3 PRO 12 lone 6 66 - 9 - 3.6/101=2, ~584=2...(4) QE PHE 106 - HG2 PRO 12 lone 5 62 - 8 - 10665=2, 11048/2.3=2...(4) QE PHE 106 - HG3 PRO 12 lone 4 61 - 7 - 10665/1.8=2, 11048/2.3=2...(4) Peak 9768 from cnoeabs.peaks (1.25, 4.49, 53.68 ppm; 5.07 A): 2 out of 6 assignments used, quality = 0.97: HG3 LYS 61 + HA ASP 13 OK 88 98 - 90 - 3.0/8006=29, 3.8/9772=29...(14) HG2 LYS 61 + HA ASP 13 OK 74 81 - 90 - 3.0/8006=29, 3.8/9772=29...(14) HB2 LEU 132 - HA ASP 13 OK 22 94 - 23 - 9774=3, 1.8/8005=3...(11) HB3 LEU 97 - HA ASP 13 OK 12 100 - 12 - 1665/8005=2, 1654/9772=2...(5) QG2 THR 99 - HA ASP 13 lone 5 98 - 5 - 3.2/9158=2 QG2 THR 102 - HA ASP 13 lone 1 68 - 1 - Peak 9769 from cnoeabs.peaks (4.07, 2.16, 26.52 ppm; 3.81 A): 5 out of 7 assignments used, quality = 0.89: HA LEU 26 + HG LEU 29 OK 52 100 - 52 - 10917=13, 8060/2.1=10...(11) HA VAL 53 + HG LEU 29 OK 36 92 - 40 - 9840/3.7=11, 8060/2.1=8...(13) HD3 PRO 118 + HG LEU 29 OK 33 94 - 34 - 10851/2.1=7, 8060/2.1=6...(12) HA LYS 34 + HG LEU 29 OK 31 100 - 31 - 10917=8, 8060/2.1=7...(7) HA LEU 132 + HG LEU 29 OK 24 98 - 25 - 8060/2.1=6, 10537/2.1=5...(8) HA LYS 24 - HG LEU 29 poor 9 77 - 11 - 10851/2.1=3, 9777=2...(5) HA GLU 90 - HG LEU 29 lone 6 98 - 6 - 10537/2.1=2, 8060/2.1=2 Peak 9770 from cnoeabs.peaks (8.27, 4.39, 53.18 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.62: H ASP 32 + HA ASP 30 OK 58 94 - 62 - 6149/3.6=21, 8087/3.0=18...(5) H ALA 105 + HA ASP 30 OK 10 72 - 14 - 8081/3.0=5, 6147/3.6=5 H LEU 39 - HA ASP 30 lone 6 100 - 6 - 8081/3.0=4, 6147/3.6=1 H GLN 25 - HA ASP 30 lone 6 96 - 6 - 8081/3.0=4 H GLY 143 - HA ASP 30 lone 5 100 - 4 - 8081/3.0=2, 6147/3.6=1 Peak 9771 from cnoeabs.peaks (7.33, 2.89, 42.22 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.47: H ARG 35 + HB3 ASP 32 OK 36 68 - 54 - 10813/1.8=18...(7) H GLU 81 + HB3 ASP 32 OK 18 98 - 18 - 10813/1.8=9, 4.0/11168=4...(4) Peak 9772 from cnoeabs.peaks (2.08, 4.64, 52.22 ppm; 5.20 A): 8 out of 10 assignments used, quality = 0.95: HG3 PRO 33 + HA ASP 32 OK 68 72 - 94 - 2.3/425=38, 2.3/423=36...(13) HB2 LEU 26 + HA ASP 32 OK 38 100 - 38 - 3.0/423=5, 9785/3.0=5...(12) HG2 PRO 118 + HA ASP 32 OK 28 81 - 34 - 2.3/425=7, 3970/3.8=7...(8) HD2 ARG 49 + HA ASP 32 OK 26 98 - 26 - ~11169=10, 9785/3.0=4...(6) HB2 PRO 129 + HA ASP 32 OK 22 100 - 22 - 8088/3.0=3, 430/3.8=3...(8) HB3 LYS 36 + HA ASP 32 OK 15 62 - 24 - 10791/4.8=10, ~658=4...(5) HB3 GLN 62 + HA ASP 32 OK 15 94 - 15 - 9785/3.0=3, 9784/3.0=2...(7) HB3 LYS 61 + HA ASP 32 OK 11 100 - 11 - 1672/4.9=2, 8088/3.0=2...(4) HB2 GLU 131 - HA ASP 32 poor 10 81 - 12 - 430/3.8=2, 438/3.8=2...(5) HG2 GLU 122 - HA ASP 32 lone 8 100 - 8 - 438/3.8=2, 430/3.8=2 Peak 9773 from cnoeabs.peaks (8.88, 2.43, 32.01 ppm; 4.50 A): 4 out of 6 assignments used, quality = 0.93: H LYS 34 + HB3 PRO 33 OK 81 81 - 100 - 4.3=100 H ASN 84 + HB3 PRO 33 OK 42 96 - 44 - 481/2.3=8, 473/2.3=8...(7) H LYS 34 + HG2 MET 11 OK 20 45 - 44 - 3.6/444=8, ~9799=8...(15) H LYS 34 + HG2 MET 68 OK 16 62 - 26 - 3.6/444=8, 4.3/452=5...(9) H ASN 84 - HG2 MET 68 lone 7 78 - 9 - 6927/3.3=2, ~8454=2 H ASN 84 - HG2 MET 11 lone 3 58 - 6 - Peak 9774 from cnoeabs.peaks (6.96, 1.50, 25.32 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.77: QD PHE 38 + HG2 LYS 34 OK 77 100 - 77 - 9797/1.8=39, 8098/2.9=25...(5) HD21 ASN 139 - HG2 LYS 34 poor 10 77 - 13 - 8098/2.9=4, 8095/5.0=4 Peak 9775 from cnoeabs.peaks (2.40, 4.07, 57.19 ppm; 4.06 A): 5 out of 12 assignments used, quality = 0.89: HG3 GLN 25 + HA LEU 26 OK 72 96 - 75 - 6077/2.9=13, 227/4.8=12...(17) HG2 GLN 25 + HA LEU 26 OK 40 57 - 70 - 198/4.8=10, 1.8/227=9...(19) HG3 GLN 25 + HA LYS 34 OK 13 100 - 13 - 10522/4.0=2, 2.9/10917=2 HB ILE 91 + HA LEU 26 OK 12 57 - 21 - 2.1/10544=6, 6077/2.9=3...(7) HG2 MET 46 + HA LYS 34 OK 11 68 - 16 - 3.3/10485=4, 10715/3.0=3...(5) QE MET 46 - HA LYS 34 poor 9 62 - 14 - 10485=4, ~10715=3...(5) HB ILE 91 - HA LYS 34 poor 8 62 - 13 - 4.0/7049=4, 10522/4.0=2...(5) QE MET 46 - HA LEU 26 poor 7 57 - 12 - 10485=2, 10485/4.8=1 HG2 MET 46 - HA LEU 26 poor 6 61 - 10 - 3.3/10485=3, 6077/2.9=2 HG2 GLN 25 - HA LYS 34 lone 6 62 - 10 - 2.9/10917=2...(3) HG3 MET 59 - HA LYS 34 lone 4 62 - 7 - 10522/4.0=2, 10523/4.7=1 HG3 MET 59 - HA LEU 26 lone 4 57 - 7 - 199/4.8=1, ~6076=1, 6077/2.9=1 Peak 9776 from cnoeabs.peaks (7.05, 2.06, 58.74 ppm; 4.80 A): 0 out of 2 assignments used, low quality = 0.30: QE PHE 67 - HA ARG 35 OK 30 85 - 35 - 2.2/9803=17, ~10802=9...(6) HD1 TRP 17 - HA ARG 35 lone 4 94 - 4 - ~8040=3 Peak 9777 from cnoeabs.peaks (6.96, 2.06, 58.74 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.78: QD PHE 38 + HA ARG 35 OK 78 100 - 78 - 2.6/592=29, 4.3/11164=28...(11) HD2 HIS 10 - HA ARG 35 poor 9 72 - 12 - 4776/11164=5, 812/592=2...(4) Peak 9778 from cnoeabs.peaks (6.84, 2.06, 58.74 ppm; 5.43 A): 0 out of 2 assignments used, low quality = 0.12: HZ2 TRP 88 - HA ARG 35 OK 12 62 - 20 - 5.0/589=6, 10802/3.0=6...(5) HD22 ASN 54 - HA ARG 35 lone 2 100 - 2 - Peak 9779 from cnoeabs.peaks (6.71, 1.59, 25.32 ppm; 4.38 A): 3 out of 6 assignments used, quality = 0.77: QE TYR 27 + HG3 LYS 36 OK 59 72 - 82 - 11205/3.8=17...(22) QE TYR 70 + HG3 LYS 36 OK 34 100 - 34 - 8101/3.8=10, 10777/1.8=7...(7) HZ PHE 43 + HG3 LYS 36 OK 13 92 - 14 - 8101/3.8=4, 10776/4.6=3...(5) QE TYR 27 - HG3 LYS 48 poor 6 46 - 12 - 11205/695=3, 11181=2 QE TYR 70 - HG3 LYS 48 lone 3 73 - 4 - 8101/695=1 HZ PHE 43 - HG3 LYS 48 lone 1 62 - 2 - Peak 9780 from cnoeabs.peaks (6.28, 4.17, 60.77 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.94: QE PHE 38 + HA PHE 38 OK 94 94 - 100 - 4.7=100 QE PHE 38 - HA TRP 88 OK 16 62 - 25 - 2.2/791=6, 4.5/790=5...(6) Peak 9781 from cnoeabs.peaks (2.07, 6.28, 131.30 ppm; 6.80 A): 4 out of 9 assignments used, quality = 0.81: HA ARG 35 + QE PHE 38 OK 56 73 - 77 - 9777/2.2=36, 592/4.5=29...(8) HD2 ARG 49 + QE PHE 38 OK 35 85 - 42 - ~9829=26, 798/4.5=7...(5) HB2 LEU 26 + QE PHE 38 OK 19 81 - 23 - 3.1/9782=11, 798/4.5=3...(5) HG3 PRO 98 + QE PHE 38 OK 18 73 - 24 - 9469/9461=14, 798/4.5=3...(5) HB2 PRO 52 - QE PHE 38 poor 8 61 - 13 - 6234/6.3=3, 9469/9461=2...(4) HB3 GLN 62 - QE PHE 38 lone 7 87 - 8 - 807/4.5=1, 8343/9783=1 HB3 LYS 61 - QE PHE 38 lone 6 79 - 7 - 8332/8159=2 HG2 GLU 122 - QE PHE 38 lone 3 65 - 4 - 9458/10332=2 HB2 PRO 129 - QE PHE 38 lone 2 69 - 3 - Peak 9782 from cnoeabs.peaks (1.07, 6.28, 131.30 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.52: HG2 ARG 35 + QE PHE 38 OK 28 85 - 34 - 3.9/9781=13, ~4740=9...(6) QD2 LEU 26 + QE PHE 38 OK 21 73 - 29 - 10573/10600=7...(9) QG2 VAL 53 + QE PHE 38 OK 14 61 - 23 - 2.1/9783=9, 11233/8397=4...(7) HG3 LYS 114 - QE PHE 38 poor 6 57 - 11 - 11233/8397=4...(3) Peak 9783 from cnoeabs.peaks (0.90, 6.28, 131.30 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.37: QG1 VAL 63 - QE PHE 38 OK 27 83 - 33 - 10936/4.5=18...(4) QG1 VAL 53 - QE PHE 38 OK 13 85 - 15 - 2.1/9782=8, 9834/8397=3 QG2 VAL 80 - QE PHE 38 poor 10 76 - 13 - 9956/6.3=3, 11232/8397=2...(4) QD2 LEU 29 - QE PHE 38 poor 8 57 - 15 - ~4740=10, 8073/8490=1 Peak 9784 from cnoeabs.peaks (0.65, 6.28, 131.30 ppm; 6.22 A): 0 out of 1 assignment used, low quality = 0.28: QD1 LEU 126 - QE PHE 38 OK 28 69 - 40 - 4739/2.2=31, 11078/4.5=8...(4) Peak 9789 from cnoeabs.peaks (1.02, 6.23, 129.00 ppm; 4.38 A): 0 out of 3 assignments used, low quality = 0.17: QD2 LEU 116 - HZ PHE 38 OK 17 70 - 24 - ~10722=11, 9400=11, 9392/4741=3 QD2 LEU 69 - HZ PHE 38 lone 1 75 - 2 - QG2 THR 110 - HZ PHE 38 lone 1 79 - 2 - Peak 9790 from cnoeabs.peaks (3.86, 0.02, 26.33 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.87: HA LYS 36 + QD1 LEU 39 OK 78 89 - 87 - 8104=37, 2.8/11242=23...(17) HA LEU 72 + QD1 LEU 39 OK 44 81 - 54 - 2.9/860=11, ~852=10...(15) Peak 9791 from cnoeabs.peaks (3.48, 4.16, 62.87 ppm; 4.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9792 from cnoeabs.peaks (2.42, 4.16, 62.87 ppm; 5.46 A): 4 out of 16 assignments used, quality = 1.00: HG2 GLN 47 + HB3 SER 44 OK 94 99 - 95 - ~997=24, ~998=24...(17) HG3 GLN 47 + HB3 SER 44 OK 94 99 - 95 - ~997=24, ~998=24...(17) HG2 GLN 47 + HB2 SER 44 OK 94 99 - 95 - ~997=24, ~998=24...(17) HG3 GLN 47 + HB2 SER 44 OK 94 99 - 95 - ~997=24, ~998=24...(17) QE MET 46 - HB2 SER 44 OK 15 99 - 15 - ~9817=7, 4.2/11500=2...(4) QE MET 46 - HB3 SER 44 OK 15 99 - 15 - ~9817=7, 4.2/11500=2 HG3 GLN 133 - HB3 SER 44 OK 11 100 - 11 - 8178/3.0=2, ~8178=2...(5) HG2 GLN 133 - HB3 SER 44 OK 11 100 - 11 - 8178/3.0=3, ~8178=2...(5) HG3 GLN 133 - HB2 SER 44 OK 11 100 - 11 - 8178/3.0=2, ~8178=2...(5) HG2 GLN 133 - HB2 SER 44 OK 11 100 - 11 - 8178/3.0=3, ~8178=2...(5) HB3 PRO 118 - HB3 SER 44 lone 6 100 - 6 - 4.3/9424=1, 9817/3.0=1 HB3 PRO 118 - HB2 SER 44 lone 6 100 - 6 - 4.3/9424=1, 9817/3.0=1 HG2 MET 68 - HB3 SER 44 lone 5 89 - 5 - 2.9/8167=1 HG2 MET 68 - HB2 SER 44 lone 4 89 - 5 - 2.9/8167=1 HB3 PRO 33 - HB3 SER 44 lone 2 72 - 3 - HB3 PRO 33 - HB2 SER 44 lone 2 72 - 3 - Peak 9794 from cnoeabs.peaks (2.44, 4.47, 61.36 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.80: HG2 GLN 47 + HA SER 44 OK 55 77 - 71 - 3.0/997=28, 3.0/998=26...(12) HG3 GLN 47 + HA SER 44 OK 55 77 - 71 - 3.0/997=28, 3.0/998=26...(12) HB3 PRO 33 - HA SER 44 lone 3 100 - 3 - HG2 MET 68 - HA SER 44 lone 2 94 - 3 - HG2 MET 11 - HA SER 44 lone 2 100 - 2 - HG3 GLU 131 - HA SER 44 lone 2 99 - 2 - Peak 9800 from cnoeabs.peaks (2.39, 1.60, 25.35 ppm; 4.61 A): 8 out of 14 assignments used, quality = 0.85: HG3 GLU 37 + HG3 LYS 36 OK 35 59 - 60 - ~11486=24, ~11469=23...(8) HB ILE 91 + HG3 LYS 48 OK 31 98 - 31 - 9801/1.8=9, 3.0/1187=4...(9) HG3 MET 59 + HG3 LYS 48 OK 26 98 - 27 - 9801/1.8=7, ~9801=5...(9) HG2 MET 59 + HG3 LYS 48 OK 24 89 - 27 - 9801/1.8=7, ~9801=6...(9) HG2 GLN 25 + HG3 LYS 36 OK 16 69 - 24 - 221/3.0=2, 2.9/697=2...(14) HG3 GLN 25 + HG3 LYS 36 OK 14 59 - 23 - 2.9/697=2, ~686=2...(13) HG2 MET 46 + HG3 LYS 48 OK 11 99 - 11 - 9801/1.8=3, ~9822=2...(4) HB ILE 91 + HG3 LYS 36 OK 10 69 - 15 - 2958/1.8=2, ~2990=1...(5) HG2 GLN 25 - HG3 LYS 48 lone 8 98 - 8 - 9801/1.8=2, ~9801=1 HG3 GLU 37 - HG3 LYS 48 lone 7 89 - 8 - 4.4/6221=4, 9801/1.8=1 HG2 MET 46 - HG3 LYS 36 lone 6 70 - 9 - ~10491=2, ~10698=2, ~10489=2 HG3 GLN 25 - HG3 LYS 48 lone 6 89 - 6 - ~9801=2, 9801/1.8=2 HG3 MET 59 - HG3 LYS 36 lone 2 69 - 3 - HG2 MET 59 - HG3 LYS 36 lone 2 59 - 3 - Peak 9801 from cnoeabs.peaks (2.39, 1.45, 25.35 ppm; 5.25 A): 5 out of 7 assignments used, quality = 0.77: HB ILE 91 + HG2 LYS 48 OK 39 98 - 39 - 9800/1.8=7, 2958=5...(13) HG3 MET 59 + HG2 LYS 48 OK 32 98 - 33 - 9823/1.8=10, ~9823=9...(9) HG2 MET 59 + HG2 LYS 48 OK 29 89 - 33 - 9823/1.8=10, ~9823=9...(9) HG2 MET 46 + HG2 LYS 48 OK 12 99 - 12 - 9823/1.8=4, ~10490=1 HG2 GLN 25 + HG2 LYS 48 OK 10 98 - 10 - ~9823=2, 9800/1.8=2, ~9800=1 HG3 GLN 25 - HG2 LYS 48 lone 8 89 - 9 - 9823/1.8=3, ~9800=1 HG3 GLU 37 - HG2 LYS 48 lone 5 89 - 6 - 9823/1.8=2 Peak 9802 from cnoeabs.peaks (3.90, 1.61, 26.78 ppm; 4.60 A): 3 out of 6 assignments used, quality = 0.93: HD3 PRO 98 + HG3 ARG 49 OK 72 98 - 74 - 8195/1.8=22, 8193/3.0=21...(20) HA MET 46 + HG3 ARG 49 OK 68 100 - 68 - 11505=17, 11506/1.8=17...(11) HA TYR 112 + HG3 ARG 49 OK 16 89 - 17 - 9824/3.0=4, 8194/3.0=3...(5) HA TYR 112 - HG LEU 108 poor 10 54 - 18 - ~9296=10, 9302/2.1=3, 9302/2.1=2 HD3 PRO 98 - HG LEU 108 poor 8 63 - 12 - 9134=2, 3.8/3190=1...(4) HA MET 46 - HG LEU 108 lone 6 67 - 9 - 11505=2 Peak 9803 from cnoeabs.peaks (7.49, 2.07, 44.17 ppm; 4.73 A): 1 out of 5 assignments used, quality = 1.00: * HE ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 2.9=100 HD1 TRP 88 - HD2 ARG 49 OK 27 81 - 34 - ~8917=17, 10669/1.8=9...(5) H TYR 70 - HD2 ARG 49 OK 16 99 - 16 - 10669/1.8=4, 6705/3.0=3...(6) HE22 GLN 25 - HD2 ARG 49 lone 7 96 - 8 - 10669/1.8=3, ~10931=1, ~6064=1 HE21 GLN 47 - HD2 ARG 49 lone 3 92 - 3 - Peak 9804 from cnoeabs.peaks (7.11, 2.07, 44.17 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.62: QE PHE 45 + HD2 ARG 49 OK 62 81 - 76 - 9828/1.8=36...(8) Peak 9806 from cnoeabs.peaks (2.35, 4.10, 62.73 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.99: HB2 PRO 98 + HA PRO 52 OK 94 100 - 94 - 3262/2.3=13, 2.3/1342=11...(43) HB2 PRO 98 + HA THR 99 OK 78 82 - 94 - 3265/3.0=37, 2.3/9158=30...(22) HB3 GLN 47 - HA PRO 52 OK 44 81 - 54 - 2.9/8174=21, ~10475=9...(9) HB2 GLN 47 - HA PRO 52 OK 44 81 - 54 - 2.9/8174=21, 10475/2.3=8...(9) HE2 LYS 123 - HA THR 99 OK 18 78 - 23 - 9151/3.2=9, 9167/3.6=7...(4) HB2 GLN 47 - HA THR 99 OK 16 60 - 27 - 9167/3.6=6, 7163/3.0=5...(10) HE2 LYS 123 - HA PRO 52 OK 14 98 - 14 - 9469/2.3=4, 9469/1342=2 HB3 GLN 47 - HA THR 99 OK 13 60 - 22 - 7163/3.0=5, ~7163=4...(9) Peak 9807 from cnoeabs.peaks (7.15, 4.08, 62.40 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.90: QE TYR 115 + HA VAL 53 OK 86 96 - 90 - 9848/3.2=39, 9835/3.2=36...(13) QD TYR 117 + HA VAL 53 OK 25 94 - 27 - 9808/3.2=7, 2.7/11601=4...(8) QD PHE 106 - HA VAL 53 poor 7 62 - 11 - ~11240=5, 9230/3.0=2, ~4833=1 Peak 9808 from cnoeabs.peaks (7.16, 1.05, 21.00 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.87: QE TYR 115 + QG2 VAL 53 OK 85 100 - 85 - 9848=37, 8237/2.1=35...(18) QD TYR 117 + QG2 VAL 53 OK 17 85 - 20 - 9807/3.2=4, 4.6/1397=3...(8) Peak 9809 from cnoeabs.peaks (7.00, 1.05, 21.00 ppm; 3.82 A): 3 out of 6 assignments used, quality = 0.89: QE PHE 43 + QG2 VAL 53 OK 76 100 - 77 - 2.2/10633=33, ~10634=18...(10) HZ PHE 67 + QG2 VAL 53 OK 45 100 - 45 - ~9836=21, 10632/2.1=13...(9) HD22 ASN 130 + QG2 VAL 53 OK 20 100 - 19 - 10387/4.1=6, 10632/2.1=4...(6) HD22 ASN 128 - QG2 VAL 53 lone 5 100 - 5 - 10632/2.1=1 HH2 TRP 17 - QG2 VAL 53 lone 4 100 - 4 - 10632/2.1=2 HZ PHE 45 - QG2 VAL 53 lone 2 89 - 2 - Peak 9810 from cnoeabs.peaks (3.79, 4.08, 62.40 ppm; 4.47 A): 0 out of 2 assignments used, low quality = 0.42: HA TYR 27 - HA VAL 53 OK 28 96 - 30 - 8044/3.2=10, ~8239=5...(6) HA GLN 47 - HA VAL 53 OK 19 100 - 20 - ~8184=6, 2.9/10626=5...(6) Peak 9812 from cnoeabs.peaks (8.29, 0.56, 11.03 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.80: H LEU 64 + QD1 ILE 58 OK 70 99 - 71 - 4.3/8351=23, 4.4/8350=20...(9) H VAL 71 + QD1 ILE 58 OK 21 81 - 26 - 10580/3.1=5, 11448/4.1=4...(12) H GLN 25 + QD1 ILE 58 OK 13 77 - 17 - 4.0/8290=6, 6.4/9813=3...(5) H LEU 39 - QD1 ILE 58 lone 1 62 - 1 - Peak 9813 from cnoeabs.peaks (6.90, 0.56, 11.03 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.67: * HE21 GLN 22 + QD1 ILE 58 OK 57 100 - 57 - 1.7/11290=43, ~11286=14...(4) HE21 GLN 25 + QD1 ILE 58 OK 24 96 - 25 - 9836/8350=7...(5) HD2 HIS 14 - QD1 ILE 58 lone 6 100 - 6 - 4502/10719=1, 4.0/8287=1 H LEU 29 - QD1 ILE 58 lone 6 81 - 7 - 4.9/8292=4 HE21 GLN 111 - QD1 ILE 58 lone 3 68 - 5 - 4.6/9850=1, 9836/8350=1 Peak 9814 from cnoeabs.peaks (6.57, 0.56, 11.03 ppm; 4.36 A): 0 out of 2 assignments used, low quality = 0.39: HE22 GLN 22 - QD1 ILE 58 OK 32 62 - 51 - 1.7/9813=24, 11290=24...(5) QE TYR 117 - QD1 ILE 58 OK 11 99 - 11 - 4733/3.1=4, 10294/1588=1 Peak 9815 from cnoeabs.peaks (1.98, 0.56, 11.03 ppm; 3.69 A): 4 out of 6 assignments used, quality = 0.94: HB VAL 63 + QD1 ILE 58 OK 78 89 - 87 - 2.1/8351=35, 2.1/8350=32...(15) HB3 GLU 75 + QD1 ILE 58 OK 59 98 - 60 - 9850=19, ~8632=11...(11) QE MET 59 + QD1 ILE 58 OK 23 92 - 26 - 6.2/6541=10, 10566/2.1=4...(7) QE MET 113 + QD1 ILE 58 OK 13 81 - 16 - 10251/10579=4...(4) HB2 GLU 142 - QD1 ILE 58 lone 8 100 - 8 - 9850=3, 1.8/8290=2 HB3 ARG 124 - QD1 ILE 58 lone 2 94 - 3 - Peak 9816 from cnoeabs.peaks (4.25, 1.34, 16.46 ppm; 5.43 A): 0 out of 6 assignments used, low quality = 0.42: HA ALA 135 - QB ALA 60 OK 21 77 - 27 - 4.9/9692=16, 4.9/9851=6...(4) HB THR 92 - QB ALA 60 OK 15 96 - 15 - 9113/11585=3...(4) HA2 GLY 50 - QB ALA 60 OK 13 72 - 18 - 2.9/6475=8, ~8187=6 HA ARG 141 - QB ALA 60 lone 7 77 - 9 - 9113/11585=2...(5) HA GLU 142 - QB ALA 60 lone 4 100 - 4 - HA SER 138 - QB ALA 60 lone 3 62 - 4 - Peak 9817 from cnoeabs.peaks (4.50, 2.07, 30.27 ppm; 4.62 A): 3 out of 3 assignments used, quality = 0.79: HA HIS 14 + HB3 LYS 61 OK 52 77 - 67 - 9856/1.8=21, 9820/3.0=12...(23) HA ASP 13 + HB3 LYS 61 OK 50 72 - 69 - 8005/1.8=17, 9772/3.0=17...(11) HA TYR 115 + HB3 LYS 61 OK 12 96 - 12 - 9820/3.0=4, 9858/4.8=1 Peak 9818 from cnoeabs.peaks (4.48, 1.59, 28.90 ppm; 5.22 A): 2 out of 6 assignments used, quality = 0.94: HA ASP 13 + HD2 LYS 61 OK 76 89 - 86 - 8006/3.6=22, 8005/3.6=20...(15) HA ASP 13 + HD3 LYS 61 OK 76 89 - 86 - 8006/3.6=22, 8005/3.6=20...(15) HA SER 103 - HD2 LYS 61 lone 2 62 - 3 - HA SER 103 - HD3 LYS 61 lone 2 62 - 3 - HA SER 44 - HD2 LYS 61 lone 1 68 - 1 - HA SER 44 - HD3 LYS 61 lone 1 68 - 1 - Peak 9820 from cnoeabs.peaks (4.50, 3.62, 57.62 ppm; 5.25 A): 3 out of 3 assignments used, quality = 0.84: HA HIS 14 + HA LYS 61 OK 58 77 - 75 - 9856/3.0=21, 9817/3.0=18...(19) HA ASP 13 + HA LYS 61 OK 53 72 - 73 - 9772=23, 8006/3.0=18...(12) HA TYR 115 + HA LYS 61 OK 17 96 - 17 - 9854=5, 9817/3.0=4...(5) Peak 9821 from cnoeabs.peaks (7.16, 3.34, 49.96 ppm; 6.79 A): 2 out of 4 assignments used, quality = 0.99: QE TYR 115 + HD3 PRO 57 OK 94 100 - 94 - 10589/3.0=41...(16) QE TYR 115 + HD2 PRO 57 OK 91 98 - 94 - 10589/3.0=41...(16) QD TYR 117 - HD3 PRO 57 OK 29 62 - 47 - 9862/1.8=19, 9862=13...(4) QD TYR 117 - HD2 PRO 57 OK 29 59 - 49 - 9862=22, 9862/1.8=14...(4) Peak 9822 from cnoeabs.peaks (1.95, 3.34, 49.96 ppm; 4.66 A): 4 out of 16 assignments used, quality = 1.00: HB ILE 56 + HD2 PRO 57 OK 96 96 - 99 - 4.8=90, 2.1/8251=24...(33) HB ILE 56 + HD3 PRO 57 OK 92 93 - 99 - 4.8=90, 2.1/8251=24...(34) HB2 LYS 34 + HD2 PRO 57 OK 50 68 - 74 - 497/2.3=5, ~530=5...(45) HB2 LYS 34 + HD3 PRO 57 OK 47 63 - 74 - 497/2.3=5, ~530=5...(45) HB3 GLU 122 - HD2 PRO 57 OK 27 92 - 30 - 4075/2.3=3, ~1533=2...(18) HB3 GLU 122 - HD3 PRO 57 OK 26 88 - 30 - 4075/2.3=3, ~1533=2...(19) HB3 PRO 98 - HD2 PRO 57 OK 17 100 - 17 - 1459/4.2=4, ~10113=3...(6) HB3 PRO 98 - HD3 PRO 57 OK 17 98 - 17 - 1459/4.2=4, ~10113=3...(6) HB3 MET 11 - HD2 PRO 57 OK 10 72 - 14 - 1459/4.2=5, 6514/4.7=3...(4) HB3 MET 11 - HD3 PRO 57 poor 10 68 - 14 - 1459/4.2=5, 6514/4.7=3...(4) HB2 LYS 61 - HD2 PRO 57 lone 9 92 - 9 - 1459/4.2=2, 6514/4.7=2...(4) HB2 LYS 61 - HD3 PRO 57 lone 8 88 - 9 - 1459/4.2=2, 6514/4.7=2...(4) HG2 PRO 52 - HD2 PRO 57 lone 1 81 - 2 - HG2 PRO 52 - HD3 PRO 57 lone 1 77 - 2 - HB3 PRO 52 - HD2 PRO 57 lone 1 77 - 2 - HB3 PRO 52 - HD3 PRO 57 lone 1 73 - 2 - Peak 9823 from cnoeabs.peaks (0.65, 3.34, 49.96 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.63: QD2 LEU 66 + HD3 PRO 57 OK 40 68 - 60 - ~10423=14, ~8521=14...(12) QD2 LEU 66 + HD2 PRO 57 OK 37 63 - 59 - ~10423=14, 8402=13...(11) QD2 LEU 39 - HD3 PRO 57 lone 6 72 - 9 - 10910/10566=1 QD2 LEU 39 - HD2 PRO 57 lone 6 68 - 8 - 1912/8521=1 Peak 9824 from cnoeabs.peaks (1.59, 0.58, 16.80 ppm; 4.14 A): 5 out of 10 assignments used, quality = 0.90: HD2 LYS 61 + QG2 ILE 58 OK 57 100 - 57 - 5.2/8330=20, 6.2/8295=11...(16) HD3 LYS 61 + QG2 ILE 58 OK 57 100 - 57 - 5.2/8330=20, 6.2/8295=11...(16) HB2 LEU 97 + QG2 ILE 58 OK 22 72 - 31 - 3.0/8293=15, 3.2/8272=3...(10) HG2 ARG 144 + QG2 ILE 58 OK 19 85 - 22 - 4901/4.0=5, 4.9/1561=3...(8) HG3 ARG 109 + QG2 ILE 58 OK 17 68 - 25 - 3.9/8279=6, ~11117=3...(7) HG3 LYS 36 - QG2 ILE 58 lone 10 100 - 10 - ~8290=1 HG LEU 108 - QG2 ILE 58 poor 7 62 - 11 - 3.7/8280=2, 2.1/10171=2...(4) HB2 LEU 79 - QG2 ILE 58 lone 6 100 - 6 - ~11003=1 HG3 LYS 48 - QG2 ILE 58 lone 4 89 - 4 - HG2 ARG 141 - QG2 ILE 58 lone 2 68 - 3 - Peak 9825 from cnoeabs.peaks (8.66, 1.28, 26.45 ppm; 6.33 A): 0 out of 2 assignments used, low quality = 0.00: H ILE 56 - HG12 ILE 58 lone 3 100 - 3 - H ILE 56 - HG13 ILE 58 lone 3 90 - 3 - Peak 9826 from cnoeabs.peaks (8.96, 1.28, 26.45 ppm; 5.51 A): 4 out of 4 assignments used, quality = 0.92: H MET 59 + HG12 ILE 58 OK 71 81 - 87 - 6541/2.1=36, 1568/3.2=26...(12) H MET 59 + HG13 ILE 58 OK 60 69 - 87 - 6541/2.1=36, 1568/3.2=26...(12) H SER 127 + HG12 ILE 58 OK 19 92 - 21 - 1592/2.1=6, 1560/2.9=5...(4) H SER 127 + HG13 ILE 58 OK 17 80 - 21 - 1592/2.1=6, 1560/2.9=5...(4) Peak 9827 from cnoeabs.peaks (0.58, 1.26, 25.29 ppm; 4.54 A): 4 out of 10 assignments used, quality = 1.00: QD1 LEU 132 + HG3 LYS 61 OK 82 99 - 83 - 4512=11, 8332/3.0=10...(30) QG2 ILE 58 + HG3 LYS 61 OK 80 98 - 82 - 8330/3.8=33, 8295/4.9=21...(25) QD1 LEU 132 + HG2 LYS 61 OK 70 84 - 83 - 8332/3.0=10, 8331/3.0=10...(30) QG2 ILE 58 + HG2 LYS 61 OK 66 82 - 81 - 8330/3.8=33, 8295/4.9=21...(22) QG1 VAL 71 - HG3 LYS 61 OK 25 100 - 25 - 8331/3.0=4, 8330/3.8=3...(9) QD1 LEU 66 - HG3 LYS 61 OK 22 94 - 23 - 8330/3.8=3, 8332/3.0=2...(6) QG1 VAL 71 - HG2 LYS 61 OK 20 87 - 24 - 8331/3.0=4, 8330/3.8=3...(8) QD1 LEU 66 - HG2 LYS 61 OK 18 78 - 23 - 8330/3.8=3, 8332/3.0=2...(6) QD1 ILE 56 - HG3 LYS 61 OK 15 68 - 22 - 8331/3.0=5, 8332/3.0=3...(10) QD1 ILE 56 - HG2 LYS 61 OK 11 52 - 21 - 8331/3.0=5, 8332/3.0=3...(10) Peak 9828 from cnoeabs.peaks (1.32, 2.29, 33.54 ppm; 4.94 A): 4 out of 6 assignments used, quality = 0.52: QB ALA 60 + HG3 GLN 62 OK 20 62 - 33 - 9852=8, 9852/1.8=7...(6) QB ALA 60 + HG2 GLN 62 OK 19 59 - 32 - 9852/1.8=7, 9852=7...(6) HG LEU 79 + HG3 GLN 62 OK 14 62 - 23 - 2.1/8345=9, ~8345=7, ~8734=3 HG LEU 79 + HG2 GLN 62 OK 14 59 - 23 - 2.1/8345=9, ~8345=8, ~8734=3 HG2 LYS 85 - HG3 GLN 62 lone 4 100 - 4 - 10040/8893=1 HG2 LYS 85 - HG2 GLN 62 lone 4 98 - 4 - 10040/8893=1 Peak 9829 from cnoeabs.peaks (2.09, 0.93, 20.65 ppm; 3.07 A): 4 out of 8 assignments used, quality = 0.83: HB3 GLN 25 + QG2 VAL 63 OK 61 100 - 61 - 10938=11, 2.9/8360=8...(18) HB VAL 53 + QG2 VAL 63 OK 42 99 - 43 - 9867=15, 1389/2.1=7...(13) HB2 GLU 131 + QG2 VAL 63 OK 14 94 - 15 - 10291/2.1=3, ~10937=3...(5) HG3 PRO 33 + QG2 VAL 63 OK 10 98 - 11 - 2.3/11478=1, 3.8/8362=1 HG2 PRO 33 - QG2 VAL 63 lone 9 96 - 9 - 2.3/11478=1, 3.8/8362=1 HG2 PRO 118 - QG2 VAL 63 lone 7 94 - 7 - 9867=3, 9872/2.1=2 HB3 LYS 36 - QG2 VAL 63 lone 6 100 - 6 - 10971/8045=1, 9872/2.1=1 HB3 GLU 142 - QG2 VAL 63 lone 5 100 - 5 - 1.8/1804=1 Peak 9830 from cnoeabs.peaks (2.18, 0.93, 20.65 ppm; 3.31 A): 5 out of 6 assignments used, quality = 0.74: HB3 PRO 57 + QG2 VAL 63 OK 51 100 - 51 - 9873/2.1=13, 1.8/8352=10...(10) HG2 GLU 75 + QG2 VAL 63 OK 19 77 - 25 - 3.0/9867=6, 9873/2.1=6...(8) HB2 MET 113 + QG2 VAL 63 OK 15 89 - 17 - 9873/2.1=4, 3695/2.1=2...(8) HB3 LYS 86 + QG2 VAL 63 OK 13 98 - 13 - 8875/2.1=6, 8875=2, ~10956=1 HB2 MET 46 + QG2 VAL 63 OK 12 89 - 14 - 9873/2.1=3, 3.0/8360=2...(4) HG2 PRO 129 - QG2 VAL 63 lone 6 89 - 6 - 212/9829=1 Peak 9831 from cnoeabs.peaks (4.16, 0.93, 20.65 ppm; 5.44 A): 6 out of 11 assignments used, quality = 0.93: HA LEU 64 + QG2 VAL 63 OK 64 68 - 94 - 3.0/1807=31, 3.7/8353=29...(26) HA PHE 38 + QG2 VAL 63 OK 29 77 - 38 - ~10936=11, 3.0/8359=8...(7) HB3 SER 44 + QG2 VAL 63 OK 28 100 - 28 - 9875/2.1=8, ~9875=6...(4) HB2 SER 44 + QG2 VAL 63 OK 28 100 - 28 - 9875/2.1=7, ~9875=6...(4) HA LEU 126 + QG2 VAL 63 OK 26 92 - 28 - 4.0/9866=10, 9875/2.1=6...(5) HA LYS 76 + QG2 VAL 63 OK 24 98 - 24 - 9875/2.1=7, 4.1/8353=4...(7) HA TRP 88 - QG2 VAL 63 OK 23 72 - 32 - 6613/4.3=5, 10239/2.1=5...(11) HA GLU 131 - QG2 VAL 63 OK 23 68 - 34 - 9875/2.1=9, ~10937=8...(6) HA GLU 120 - QG2 VAL 63 poor 10 96 - 10 - 9875/2.1=2, 4048/9874=2 HG1 THR 74 - QG2 VAL 63 lone 5 72 - 7 - 6613/4.3=2 HA3 GLY 125 - QG2 VAL 63 lone 4 100 - 4 - Peak 9832 from cnoeabs.peaks (7.81, 0.91, 21.64 ppm; 4.08 A): 3 out of 4 assignments used, quality = 0.53: H TYR 27 + QG1 VAL 63 OK 33 85 - 39 - 8367/2.1=11, ~8056=10...(6) H SER 44 + QG1 VAL 63 OK 20 96 - 20 - 8367/2.1=5, 3.9/9875=4...(5) H GLY 94 + QG1 VAL 63 OK 11 100 - 11 - 8367/2.1=4, 10082/1801=2 H THR 110 - QG1 VAL 63 lone 7 72 - 10 - 8367/2.1=3, ~7328=1 Peak 9834 from cnoeabs.peaks (7.94, 0.93, 20.65 ppm; 4.39 A): 0 out of 1 assignment used, low quality = 0.12: H ASN 139 - QG2 VAL 63 OK 12 68 - 18 - 10933/10936=5...(5) Peak 9835 from cnoeabs.peaks (6.88, 0.93, 20.65 ppm; 4.55 A): 3 out of 5 assignments used, quality = 0.76: HE21 GLN 25 + QG2 VAL 63 OK 67 81 - 83 - 1.7/10935=22...(15) HE21 GLN 111 + QG2 VAL 63 OK 16 100 - 16 - 3.5/9867=7, 9836/2.1=3...(4) HE22 GLN 47 + QG2 VAL 63 OK 10 100 - 10 - 8180/2.1=6, 9836/2.1=2 HZ PHE 23 - QG2 VAL 63 lone 7 100 - 7 - ~4803=3, 9836/2.1=2 HD2 HIS 14 - QG2 VAL 63 lone 2 62 - 3 - Peak 9836 from cnoeabs.peaks (6.89, 0.91, 21.64 ppm; 4.04 A): 3 out of 6 assignments used, quality = 0.74: HE21 GLN 25 + QG1 VAL 63 OK 67 100 - 67 - 3.5/8361=22...(14) HE21 GLN 111 + QG1 VAL 63 OK 11 94 - 12 - 3.5/9872=4, 9835/2.1=3...(4) HE21 GLN 22 + QG1 VAL 63 OK 11 92 - 12 - 9813/8350=6, ~11292=3 HE22 GLN 47 - QG1 VAL 63 lone 6 72 - 9 - 8180/2.1=3, 9835/2.1=2 HZ PHE 23 - QG1 VAL 63 lone 6 77 - 7 - 3.8/4798=3, 2.2/4803=2 HD2 HIS 14 - QG1 VAL 63 lone 3 98 - 3 - Peak 9838 from cnoeabs.peaks (0.77, 4.17, 53.78 ppm; 4.58 A): 5 out of 6 assignments used, quality = 0.71: QD2 LEU 72 + HA LEU 64 OK 26 96 - 27 - 2.1/10168=4, ~8536=2...(11) QG2 VAL 73 + HA LEU 64 OK 23 77 - 29 - 2.1/8567=6, 3.9/8572=6...(5) QD1 LEU 72 + HA LEU 64 OK 22 85 - 26 - 10168=3, ~8536=2...(9) QD1 LEU 79 + HA LEU 64 OK 21 68 - 31 - 9853/3.6=7, 2.1/1813=6...(9) QD2 LEU 95 + HA LEU 64 OK 17 85 - 19 - 9853/3.6=6, ~10988=3...(5) QD1 ILE 136 - HA LEU 64 poor 10 81 - 12 - Peak 9839 from cnoeabs.peaks (3.07, 0.64, 24.26 ppm; 3.96 A): 5 out of 9 assignments used, quality = 0.88: HA2 GLY 78 + QD1 LEU 126 OK 70 89 - 78 - 1.8/10253=29...(10) HE2 LYS 86 + QD1 LEU 126 OK 28 94 - 30 - 3.9/4302=4, ~2741=4...(10) HE3 LYS 86 + QD1 LEU 126 OK 28 92 - 30 - 3.9/4302=4, ~2741=4...(10) HB3 TRP 88 + QD1 LEU 126 OK 12 99 - 13 - 1.8/10254=3, ~10682=1...(5) HD3 ARG 49 + QD1 LEU 126 OK 11 94 - 12 - 2352/10253=2...(3) HA TYR 119 - QD1 LEU 126 lone 5 81 - 6 - 4.9/4299=1, 6844/10350=1 HE3 LYS 34 - QD1 LEU 126 lone 3 72 - 4 - 4.6/9495=2 HB3 ASP 30 - QD1 LEU 126 lone 1 99 - 1 - HB2 TYR 27 - QD1 LEU 126 lone 1 77 - 1 - Peak 9840 from cnoeabs.peaks (4.01, 0.63, 25.34 ppm; 5.02 A): 3 out of 10 assignments used, quality = 0.93: HB THR 107 + QD2 LEU 64 OK 72 100 - 72 - 10164/2.1=24...(14) HA VAL 63 + QD2 LEU 64 OK 67 77 - 86 - 3.2/9869=25, 3.6/9845=19...(24) HA LYS 123 + QD2 LEU 64 OK 28 98 - 28 - 9882=4, 4.7/10916=3...(10) HA MET 113 - QD2 LEU 64 OK 26 62 - 42 - 3.0/9317=13, 4.9/9303=10...(8) HA GLU 81 - QD2 LEU 64 OK 16 92 - 17 - 2.9/9848=3, 9882=3...(5) HB3 SER 100 - QD2 LEU 64 OK 13 100 - 13 - 9882=2, 3461/10916=1...(4) HA GLU 37 - QD2 LEU 64 OK 13 94 - 14 - 4.9/1841=3, 9882=2, 6609/4.9=1 HA GLU 122 - QD2 LEU 64 OK 11 62 - 17 - 9882=3, 3.0/9847=3...(6) HB2 SER 103 - QD2 LEU 64 OK 10 100 - 10 - 10153/9880=2, 9882=1 HA LYS 114 - QD2 LEU 64 poor 8 62 - 13 - 4.8/10623=3, 10198/10282=2 Peak 9841 from cnoeabs.peaks (3.71, 0.63, 25.34 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.98: HA THR 107 + QD2 LEU 64 OK 77 100 - 77 - 3.2/10916=21...(15) HA LEU 108 + QD2 LEU 64 OK 74 89 - 83 - 11018/2.1=20, 8369=12...(30) HA ILE 91 + QD2 LEU 64 OK 66 81 - 82 - ~8968=20, 8369=15...(23) HB THR 74 - QD2 LEU 64 OK 43 100 - 43 - 8605=10, 3.0/8603=7...(12) HA ILE 136 - QD2 LEU 64 OK 35 98 - 35 - 3.7/11015=13...(8) Peak 9842 from cnoeabs.peaks (3.81, 0.63, 25.34 ppm; 5.87 A): 4 out of 4 assignments used, quality = 0.87: HA THR 110 + QD2 LEU 64 OK 56 100 - 56 - 3.6/9849=15...(12) HA3 GLY 50 + QD2 LEU 64 OK 43 94 - 45 - ~9850=29, 2.9/9847=12...(7) HA LEU 66 + QD2 LEU 64 OK 36 85 - 43 - 2.8/9847=12, 3.6/9883=8...(13) HD2 PRO 118 + QD2 LEU 64 OK 17 62 - 27 - 4.8/10300=10...(6) Peak 9844 from cnoeabs.peaks (2.78, 0.63, 25.34 ppm; 5.33 A): 3 out of 6 assignments used, quality = 0.83: HG3 GLN 111 + QD2 LEU 64 OK 74 96 - 77 - 8372=30, 1.8/11483=24...(12) HB3 ASN 84 + QD2 LEU 64 OK 20 98 - 20 - ~8855=5, 8372=4...(6) HB3 TYR 119 + QD2 LEU 64 OK 18 99 - 19 - 8372=6, 9435/2.1=2...(5) HB3 ASP 41 - QD2 LEU 64 poor 10 72 - 14 - 1.8/8372=4, 8372=3 HB2 ASP 41 - QD2 LEU 64 poor 10 68 - 14 - 8372=4, 1.8/8372=3, 7362/1847=1 HB2 ASN 128 - QD2 LEU 64 poor 9 81 - 11 - 9524/2.1=3, 3.9/9845=2 Peak 9845 from cnoeabs.peaks (8.29, 0.63, 25.34 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.98: H LEU 64 + QD2 LEU 64 OK 96 100 - 96 - 4.9=65, 1848/2.1=21...(16) H VAL 71 + QD2 LEU 64 OK 47 96 - 49 - 3.8/10593=18, 1848/2.1=7...(11) H THR 18 - QD2 LEU 64 OK 25 81 - 31 - 4.0/1844=7, 1848/2.1=5...(8) H ASN 128 - QD2 LEU 64 poor 10 68 - 14 - 4.6/7587=7, 1848/2.1=1...(5) Peak 9847 from cnoeabs.peaks (7.65, 0.63, 25.34 ppm; 5.06 A): 3 out of 5 assignments used, quality = 0.66: H LEU 97 + QD2 LEU 64 OK 34 100 - 34 - 7159/2.1=7, ~3193=6...(11) H LEU 66 + QD2 LEU 64 OK 29 77 - 37 - 4.4/1847=19, 2.8/11154=9...(5) H GLY 50 + QD2 LEU 64 OK 28 99 - 28 - 9850/2.1=9, 2.9/9842=8...(5) H GLU 122 - QD2 LEU 64 poor 8 68 - 12 - 3.6/1841=3, 3.0/9882=2...(4) HD21 ASN 130 - QD2 LEU 64 lone 2 89 - 2 - Peak 9848 from cnoeabs.peaks (7.32, 0.63, 25.34 ppm; 4.61 A): 4 out of 4 assignments used, quality = 0.84: QD TYR 115 + QD2 LEU 64 OK 50 89 - 57 - 2.2/9884=25, 9883=18...(13) H ASP 30 + QD2 LEU 64 OK 50 94 - 53 - 4.2/10623=19, 9883=18...(7) H ARG 35 + QD2 LEU 64 OK 28 99 - 28 - 4.6/11013=7, 4.6/9884=6...(11) H GLU 81 + QD2 LEU 64 OK 12 62 - 20 - 3.5/6860=5...(7) Peak 9849 from cnoeabs.peaks (8.53, 0.63, 25.34 ppm; 6.49 A): 3 out of 3 assignments used, quality = 0.94: H GLN 111 + QD2 LEU 64 OK 84 99 - 85 - 4.7/8372=28...(15) H LEU 108 + QD2 LEU 64 OK 55 68 - 82 - ~10222=22, ~11018=21...(16) H MET 46 + QD2 LEU 64 OK 21 72 - 29 - 4.0/10711=7, ~8183=4...(11) Peak 9850 from cnoeabs.peaks (7.67, 1.14, 27.00 ppm; 5.47 A): 0 out of 1 assignment used, low quality = 0.11: H GLY 50 - HG LEU 64 OK 11 72 - 15 - ~9842=7, 9847/2.1=3, 6477/3.0=3 Peak 9851 from cnoeabs.peaks (8.29, 1.14, 27.00 ppm; 5.17 A): 2 out of 4 assignments used, quality = 1.00: H LEU 64 + HG LEU 64 OK 100 100 - 100 - 5.2=99, 1848/2.1=28...(20) H VAL 71 + HG LEU 64 OK 51 94 - 54 - 9845/2.1=12, 3.9/8518=11...(11) H THR 18 - HG LEU 64 OK 32 77 - 42 - 3.0/11266=10...(9) H ASN 128 - HG LEU 64 poor 7 62 - 11 - 9845/2.1=3, 1816/3.0=2...(4) Peak 9852 from cnoeabs.peaks (9.21, 1.14, 27.00 ppm; 4.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9855 from cnoeabs.peaks (6.79, 3.82, 56.99 ppm; 6.09 A): 2 out of 3 assignments used, quality = 0.55: H LYS 76 + HA LEU 66 OK 41 100 - 41 - 4.0/1874=7...(15) QE TYR 112 + HA LEU 66 OK 23 89 - 26 - 8489/8393=6, 9401/8390=5...(7) HD21 ASN 96 - HA LEU 66 lone 3 77 - 4 - Peak 9856 from cnoeabs.peaks (1.00, 0.57, 21.20 ppm; 2.75 A): 4 out of 4 assignments used, quality = 0.90: QD2 LEU 116 + QD1 LEU 66 OK 61 99 - 62 - 2.1/9889=11, 2.1/9865=9...(28) QD2 LEU 69 + QD1 LEU 66 OK 45 98 - 46 - 9889=15, 2.1/8474=9...(13) QD1 LEU 116 + QD1 LEU 66 OK 34 62 - 55 - 9889=17, 2.1/9865=9...(20) HG12 ILE 136 + QD1 LEU 66 OK 26 68 - 39 - 9889=9, 2.3/9892=7...(11) Peak 9857 from cnoeabs.peaks (1.14, 0.57, 21.20 ppm; 3.33 A): 0 out of 3 assignments used, low quality = 0.37: HG LEU 64 - QD1 LEU 66 OK 27 100 - 27 - 9891=12, 2.1/9864=4...(8) QG2 THR 92 - QD1 LEU 66 OK 14 62 - 22 - 9891=7, 10096/2.1=3...(5) QG2 THR 18 - QD1 LEU 66 lone 4 100 - 4 - Peak 9858 from cnoeabs.peaks (2.69, 0.57, 21.20 ppm; 4.36 A): 5 out of 6 assignments used, quality = 0.92: HB3 TYR 115 + QD1 LEU 66 OK 83 100 - 83 - 1.8/9367=22, 4.5/9866=17...(19) HB2 ASP 137 + QD1 LEU 66 OK 24 96 - 24 - 9897=6, 9710/3.1=4...(6) HB2 PHE 43 + QD1 LEU 66 OK 18 100 - 18 - 5.8/4821=5, ~9910=4...(6) HB3 ASP 13 + QD1 LEU 66 OK 14 99 - 14 - 9897=4, 3842/9367=2...(4) HB2 ASP 32 + QD1 LEU 66 OK 10 99 - 11 - 10804/2.1=2, 8404/2.1=1 HB3 ASP 16 - QD1 LEU 66 lone 3 92 - 4 - Peak 9859 from cnoeabs.peaks (0.32, 0.57, 21.20 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.77: QD2 LEU 42 + QD1 LEU 66 OK 59 85 - 69 - 9893=36, 8156/2.1=20...(18) QD1 ILE 91 + QD1 LEU 66 OK 44 98 - 45 - ~9862=9, 8405/2.1=8...(13) Peak 9860 from cnoeabs.peaks (2.95, 0.57, 21.20 ppm; 4.25 A): 3 out of 9 assignments used, quality = 0.92: HB2 TYR 115 + QD1 LEU 66 OK 84 100 - 85 - 9367=22, 11113/2.1=21...(19) HB3 PHE 67 + QD1 LEU 66 OK 29 100 - 29 - 3.7/1913=16, ~11526=4...(6) HE2 LYS 85 + QD1 LEU 66 OK 25 99 - 26 - 8403/2.1=4, 2.9/1908=3...(8) HE3 LYS 85 - QD1 LEU 66 OK 22 89 - 25 - 8403/2.1=3, ~8403=3...(8) HE2 LYS 48 - QD1 LEU 66 OK 15 100 - 15 - 3.6/1909=2, 8403/2.1=2...(5) HE3 LYS 48 - QD1 LEU 66 OK 14 96 - 15 - 3.6/1909=2, 8403/2.1=2...(5) HE2 LYS 93 - QD1 LEU 66 OK 11 100 - 11 - 3.0/9684=1, 3.8/9865=1 HB2 PHE 106 - QD1 LEU 66 OK 10 100 - 10 - ~11522=3, 8403/2.1=2...(4) HE3 LYS 93 - QD1 LEU 66 poor 7 72 - 10 - 3.0/9684=1, 3.8/9865=1 Peak 9861 from cnoeabs.peaks (0.88, 0.67, 24.82 ppm; 3.07 A): 7 out of 7 assignments used, quality = 0.90: QG2 ILE 136 + QD2 LEU 66 OK 50 100 - 51 - 9901=12, 9892/2.1=10...(20) HB3 LEU 42 + QD2 LEU 66 OK 33 81 - 40 - 3.1/8405=19, ~9893=6...(10) QG2 VAL 80 + QD2 LEU 66 OK 25 68 - 36 - 4.4/9910=9, 9984=7...(10) QG2 ILE 101 + QD2 LEU 66 OK 23 100 - 23 - 9901=6, 9892/2.1=5...(6) QG2 ILE 56 + QD2 LEU 66 OK 22 68 - 33 - 4.2/8402=6, 4.2/8402=6...(8) QD1 ILE 101 + QD2 LEU 66 OK 22 96 - 23 - 9901=5, 9892/2.1=4...(7) QD1 LEU 97 + QD2 LEU 66 OK 16 100 - 16 - 9901=4, 9892/2.1=4, 11155/4.0=1 Peak 9862 from cnoeabs.peaks (1.05, 0.67, 24.82 ppm; 3.12 A): 3 out of 3 assignments used, quality = 0.59: HG3 LYS 114 + QD2 LEU 66 OK 32 100 - 32 - 9900=9, 2.9/1917=3...(12) HG13 ILE 91 + QD2 LEU 66 OK 26 98 - 27 - 9900=7, 2.1/8405=6...(5) QG2 VAL 53 + QD2 LEU 66 OK 17 100 - 17 - 9848/9907=4, 8236/1921=2...(4) Peak 9863 from cnoeabs.peaks (1.19, 0.67, 24.82 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.79: QD1 LEU 26 + QD2 LEU 66 OK 57 85 - 67 - 10576=15, 10577/2.1=13...(16) HG13 ILE 56 + QD2 LEU 66 OK 22 81 - 27 - 3.2/9901=6, 3.8/8400=6...(6) HG12 ILE 56 + QD2 LEU 66 OK 21 77 - 27 - 9899=7, 3.2/9901=6...(6) HB3 LEU 108 + QD2 LEU 66 OK 19 100 - 19 - ~10174=6, 4.4/11523=5...(4) Peak 9864 from cnoeabs.peaks (0.87, 0.57, 21.20 ppm; 3.30 A): 7 out of 7 assignments used, quality = 0.94: HB3 LEU 42 + QD1 LEU 66 OK 46 100 - 46 - 3.1/9893=14, ~8405=11...(12) QG2 ILE 56 + QD1 LEU 66 OK 42 99 - 42 - 9892=12, 9901/2.1=7...(11) QG2 ILE 136 + QD1 LEU 66 OK 40 72 - 55 - 9892=15, 9901/2.1=9...(15) QG2 ILE 83 + QD1 LEU 66 OK 38 68 - 56 - 3.1/10004=9, 2.1/1910=6...(28) QD1 LEU 64 + QD1 LEU 66 OK 26 85 - 30 - 2.1/9857=19, ~10988=2...(6) QG2 ILE 101 + QD1 LEU 66 OK 20 72 - 27 - 9892=6, 9901/2.1=4...(7) QD1 LEU 97 + QD1 LEU 66 OK 16 81 - 20 - 9892=6, 9901/2.1=3...(4) Peak 9865 from cnoeabs.peaks (1.41, 0.57, 21.20 ppm; 3.28 A): 4 out of 6 assignments used, quality = 0.89: HG LEU 116 + QD1 LEU 66 OK 66 98 - 67 - 2.1/9889=15, 2.1/9856=14...(27) HB2 ARG 35 + QD1 LEU 66 OK 42 100 - 42 - 2.9/10990=9, 1.8/1910=5...(14) HD2 LYS 114 + QD1 LEU 66 OK 27 100 - 27 - ~9862=5, 9342/9866=5...(6) HG2 LYS 36 + QD1 LEU 66 OK 26 99 - 26 - 1.8/1908=3, 688/3.1=3...(8) HG3 LYS 93 - QD1 LEU 66 lone 7 94 - 7 - HG2 LYS 24 - QD1 LEU 66 lone 5 99 - 6 - Peak 9866 from cnoeabs.peaks (7.17, 0.57, 21.20 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.64: QE TYR 115 + QD1 LEU 66 OK 64 72 - 88 - 2.2/1913=22, ~4750=21...(19) Peak 9868 from cnoeabs.peaks (6.95, 4.19, 58.85 ppm; 4.13 A): 1 out of 3 assignments used, quality = 0.60: QD PHE 38 + HA PHE 67 OK 60 81 - 73 - 2.2/8396=36, 9867/2.8=29...(7) QD PHE 23 - HA PHE 67 poor 9 68 - 14 - 10841/3.0=7...(3) HD21 ASN 139 - HA PHE 67 lone 5 99 - 5 - 9867/2.8=2, 11387/6718=1 Peak 9869 from cnoeabs.peaks (1.15, 4.19, 58.85 ppm; 6.29 A): 0 out of 4 assignments used, low quality = 0.34: QG2 THR 92 - HA PHE 67 OK 15 99 - 15 - 10084/4.9=10 QG2 THR 18 - HA PHE 67 OK 13 81 - 16 - 10858/5.6=8, 10843/3.0=4...(4) HG2 LYS 76 - HA PHE 67 OK 10 68 - 15 - ~6649=4, 6708/1930=2...(4) HG LEU 64 - HA PHE 67 poor 10 77 - 13 - ~9883=7, 9851/6718=2 Peak 9870 from cnoeabs.peaks (9.65, 2.43, 32.01 ppm; 5.04 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9871 from cnoeabs.peaks (9.67, 2.54, 31.81 ppm; 5.35 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9872 from cnoeabs.peaks (9.66, 1.91, 15.10 ppm; 4.37 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9873 from cnoeabs.peaks (7.30, 2.54, 31.81 ppm; 5.18 A): 4 out of 4 assignments used, quality = 0.80: H PHE 67 + HG3 MET 68 OK 56 77 - 72 - 3.6/1983=37, 4.3/8415=19...(12) H ASP 30 + HG3 MET 68 OK 28 98 - 28 - 8078/3.7=11, 8418/1.8=6...(4) QD TYR 115 + HG3 MET 68 OK 25 100 - 26 - 8418/1.8=5, 6664/4.4=3...(11) H ARG 35 + HG3 MET 68 OK 15 92 - 16 - 4.5/10992=6, 8418/1.8=3...(5) Peak 9874 from cnoeabs.peaks (8.58, 3.84, 55.33 ppm; 4.30 A): 3 out of 6 assignments used, quality = 0.97: H LEU 72 + HA MET 68 OK 89 94 - 94 - 3.4/1957=27, 4.3/8439=26...(35) H ASP 40 + HA MET 68 OK 53 100 - 53 - 8454/4.6=18, 6287/3.6=12...(14) H LEU 72 + HA ALA 104 OK 36 55 - 66 - 6750/2.8=8, 6735=7...(23) H LYS 85 - HA MET 68 OK 10 68 - 15 - 8454/4.6=2, 6732/1957=2...(5) H ASP 40 - HA ALA 104 poor 8 62 - 13 - 8454/1992=1 H LYS 85 - HA ALA 104 lone 3 35 - 9 - ~9204=1 Peak 9875 from cnoeabs.peaks (9.18, 1.17, 23.77 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.71: H TYR 112 + QD1 LEU 69 OK 59 81 - 72 - 4.5/8457=25, 9878/2.1=25...(13) H ASP 65 + QD1 LEU 69 OK 29 77 - 38 - 3.0/8386=18, 9878/2.1=11...(7) Peak 9876 from cnoeabs.peaks (8.55, 1.17, 23.77 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.48: H MET 46 + QD1 LEU 69 OK 40 81 - 49 - 2.9/10993=17...(7) H LYS 85 + QD1 LEU 69 OK 14 77 - 18 - 3.0/9933=3, 3.9/2040=3...(6) H CYS 121 - QD1 LEU 69 lone 5 96 - 5 - 1040/10993=1 Peak 9877 from cnoeabs.peaks (8.52, 1.01, 26.03 ppm; 6.03 A): 3 out of 3 assignments used, quality = 0.91: H LEU 108 + QD2 LEU 69 OK 78 98 - 80 - 4.8/8477=44...(9) H GLN 111 + QD2 LEU 69 OK 51 72 - 71 - 3.3/9919=39, ~9875=21...(12) H LYS 48 + QD2 LEU 69 OK 20 92 - 21 - 3501/8477=6...(5) Peak 9878 from cnoeabs.peaks (9.19, 1.01, 26.03 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.85: H TYR 112 + QD2 LEU 69 OK 77 99 - 78 - 9875/2.1=20, 4.5/8459=20...(19) H ASP 65 + QD2 LEU 69 OK 33 98 - 34 - ~8386=11, 9875/2.1=10...(6) Peak 9879 from cnoeabs.peaks (7.48, 1.90, 41.39 ppm; 5.35 A): 1 out of 5 assignments used, quality = 0.96: H TYR 70 + HB3 LEU 69 OK 96 96 - 100 - 4.6=100 HD1 TRP 88 - HB3 LEU 69 OK 30 100 - 30 - 9887/3.2=8, ~10066=6...(7) HE ARG 49 - HB3 LEU 69 OK 23 85 - 27 - 9887/3.2=4, ~1296=4...(10) HE21 GLN 47 - HB3 LEU 69 OK 17 100 - 17 - 5.1/10675=4, 6696/4.0=2...(8) HE22 GLN 62 - HB3 LEU 69 lone 3 85 - 4 - Peak 9880 from cnoeabs.peaks (7.23, 1.17, 23.77 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.47: QD PHE 45 + QD1 LEU 69 OK 35 94 - 37 - 4.8/9876=15, 3.1/9933=8...(11) H GLU 37 + QD1 LEU 69 OK 19 72 - 26 - 4.5/9892=5, 8993/9895=5...(8) HE3 TRP 17 - QD1 LEU 69 lone 3 81 - 3 - HZ PHE 106 - QD1 LEU 69 lone 1 62 - 2 - Peak 9881 from cnoeabs.peaks (7.35, 1.16, 24.82 ppm; 5.39 A): 3 out of 3 assignments used, quality = 0.77: H GLY 77 + HG2 LYS 76 OK 59 81 - 73 - 3.6/2242=27, 6820/5.1=26...(9) QD PHE 43 + HG2 LYS 76 OK 31 100 - 31 - 2272/3.0=5, 2248/4.1=3...(10) H ARG 109 + HG2 LYS 76 OK 19 98 - 20 - 7289/9944=7, 9977/9943=3...(6) Peak 9882 from cnoeabs.peaks (7.64, 1.16, 24.82 ppm; 5.15 A): 3 out of 6 assignments used, quality = 0.93: H VAL 82 + HG2 LYS 76 OK 78 81 - 96 - 3.2/11055=41...(23) H LEU 66 + HG2 LYS 76 OK 55 99 - 55 - 4.5/9891=14, 3.6/8386=13...(11) H LEU 97 + HG2 LYS 76 OK 34 89 - 38 - 4.0/10104=7, 11420=6...(10) H GLU 122 - HG2 LYS 76 OK 27 96 - 28 - ~7531=5, 7507/4.1=3...(11) H GLY 50 - HG2 LYS 76 OK 18 77 - 23 - 4.7/2280=12, 6475/3.0=5...(4) HD21 ASN 130 - HG2 LYS 76 lone 4 100 - 4 - Peak 9883 from cnoeabs.peaks (7.52, 1.17, 23.77 ppm; 4.52 A): 0 out of 1 assignment used, low quality = 0.45: H ILE 91 - QD1 LEU 69 OK 45 72 - 62 - 4.5/9935=18, 4.0/9894=17...(14) Peak 9884 from cnoeabs.peaks (8.00, 1.17, 23.77 ppm; 4.81 A): 3 out of 5 assignments used, quality = 0.94: H VAL 73 + QD1 LEU 69 OK 83 100 - 83 - 3.0/8461=18, 3.9/8595=14...(25) H GLN 47 + QD1 LEU 69 OK 50 96 - 51 - 3.0/9876=23...(10) H ALA 104 + QD1 LEU 69 OK 33 100 - 33 - 2.9/9197=5, ~9199=3...(16) H ARG 140 - QD1 LEU 69 OK 28 100 - 29 - 6.0/9929=4, 6.0/9929=3...(7) H ARG 145 - QD1 LEU 69 lone 8 81 - 9 - 4.3/2040=1 Peak 9886 from cnoeabs.peaks (6.82, 1.01, 26.03 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.77: HZ2 TRP 88 + QD2 LEU 69 OK 66 92 - 72 - ~9888=32, 9927=27...(12) QD PHE 67 + QD2 LEU 69 OK 32 98 - 33 - 9927=13, 3.7/8412=12...(7) HE21 GLN 133 - QD2 LEU 69 poor 9 92 - 10 - 5.3/8462=3, 10249/9333=1 HD21 ASN 96 - QD2 LEU 69 lone 3 77 - 3 - 10249/9333=1 Peak 9887 from cnoeabs.peaks (7.48, 1.01, 26.03 ppm; 4.85 A): 1 out of 5 assignments used, quality = 0.96: H TYR 70 + QD2 LEU 69 OK 96 96 - 100 - 4.8=100 HD1 TRP 88 - QD2 LEU 69 OK 35 100 - 35 - 5.0/9927=16, 9399/3892=8...(7) HE ARG 49 - QD2 LEU 69 OK 16 85 - 18 - 9879/3.2=4, 3.9/2046=3...(8) HE21 GLN 47 - QD2 LEU 69 lone 9 100 - 9 - 9879/3.2=3, 6696/5.0=2...(4) HE22 GLN 62 - QD2 LEU 69 lone 2 85 - 2 - Peak 9888 from cnoeabs.peaks (6.43, 1.17, 23.77 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.72: HH2 TRP 88 + QD1 LEU 69 OK 72 98 - 74 - 2.4/8458=42, ~9927=15...(10) Peak 9890 from cnoeabs.peaks (4.08, 1.16, 24.82 ppm; 5.28 A): 4 out of 7 assignments used, quality = 0.62: HA GLU 90 + HG2 LYS 76 OK 34 90 - 38 - 2.9/10075=8, 3.6/10085=8...(11) HA LEU 132 + HG2 LYS 76 OK 23 90 - 25 - 4.9/9615=9, 4477/1.8=6...(5) HA VAL 53 + HG2 LYS 76 OK 15 96 - 16 - 8060/8075=2, 1384/8074=2...(5) HA LEU 26 + HG2 LYS 76 OK 11 68 - 16 - 10537/8074=2...(3) HA LYS 34 - HG2 LYS 76 lone 7 81 - 9 - 8060/8075=1, 3.0/11555=1 HD3 PRO 33 - HG2 LYS 76 lone 2 81 - 2 - HA PRO 52 - HG2 LYS 76 lone 1 63 - 2 - Peak 9892 from cnoeabs.peaks (2.10, 1.17, 23.77 ppm; 4.29 A): 3 out of 8 assignments used, quality = 0.60: HB VAL 53 + QD1 LEU 69 OK 40 100 - 40 - 9931=10, 1390/2.1=6...(10) HB3 LYS 36 + QD1 LEU 69 OK 20 89 - 23 - 4.5/9880=7, 1.8/2040=2...(7) HG2 PRO 118 + QD1 LEU 69 OK 16 72 - 22 - 2.3/8465=5, 1.8/9931=4...(6) HB3 GLN 25 - QD1 LEU 69 lone 8 99 - 8 - 10938/9894=2...(3) HG2 PRO 33 - QD1 LEU 69 lone 5 100 - 5 - HG3 PRO 33 - QD1 LEU 69 lone 4 81 - 5 - HB2 GLU 131 - QD1 LEU 69 lone 2 72 - 3 - HB3 GLU 142 - QD1 LEU 69 lone 1 100 - 1 - Peak 9893 from cnoeabs.peaks (1.67, 1.17, 23.77 ppm; 3.29 A): 7 out of 12 assignments used, quality = 0.80: HB2 MET 68 + QD1 LEU 69 OK 31 92 - 34 - 4.4/2036=9, 4.2/8423=4...(11) HB2 LEU 95 + QD1 LEU 69 OK 28 99 - 28 - 3.1/9074=4, 3.0/9063=4...(13) HB VAL 71 + QD1 LEU 69 OK 24 99 - 25 - 4.6/6745=4...(9) HG2 ARG 89 + QD1 LEU 69 OK 23 99 - 23 - 3.8/8947=4, 2.8/2039=3...(8) HD2 LYS 93 + QD1 LEU 69 OK 13 92 - 14 - 4.9/9933=2, 3.0/2288=1 HG2 ARG 124 + QD1 LEU 69 OK 12 94 - 12 - 11071/11376=4, 3.0/9929=2 HG2 ARG 140 + QD1 LEU 69 OK 11 62 - 18 - 2.9/9929=3, 2.9/9929=3...(6) HD3 LYS 48 - QD1 LEU 69 lone 9 100 - 9 - 3.6/2040=1 HD2 LYS 48 - QD1 LEU 69 lone 9 99 - 9 - 3.6/2040=1 HG LEU 97 - QD1 LEU 69 lone 5 68 - 8 - 3.0/10129=2, 5.3/11420=1 HB2 ARG 145 - QD1 LEU 69 lone 4 100 - 4 - HG3 ARG 141 - QD1 LEU 69 lone 2 72 - 3 - Peak 9894 from cnoeabs.peaks (0.94, 1.17, 23.77 ppm; 2.64 A): 3 out of 3 assignments used, quality = 0.68: QG2 ILE 91 + QD1 LEU 69 OK 41 89 - 46 - 8971=10, 3.3/9935=8...(11) HB2 LEU 108 + QD1 LEU 69 OK 35 94 - 37 - 3.2/8473=9, ~8477=6...(9) QG2 VAL 63 + QD1 LEU 69 OK 17 89 - 19 - 2.1/9871=6, 2.1/8356=2...(5) Peak 9895 from cnoeabs.peaks (0.32, 1.17, 23.77 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.87: QD1 ILE 91 + QD1 LEU 69 OK 74 99 - 74 - 4.5/9883=18, 3.3/9894=17...(31) QD2 LEU 42 + QD1 LEU 69 OK 50 81 - 62 - ~8143=10, 8155/2.1=9...(23) Peak 9898 from cnoeabs.peaks (0.60, 6.70, 117.94 ppm; 5.58 A): 2 out of 3 assignments used, quality = 0.75: QD1 ILE 56 + QE TYR 70 OK 62 100 - 62 - 4693/2.2=34, 8260=20...(4) QG1 VAL 71 + QE TYR 70 OK 34 62 - 55 - ~8523=42, ~8523=15, 9907/6.3=6 QD1 LEU 132 - QE TYR 70 lone 5 85 - 5 - 1463/10606=2, 8482/6.3=1 Peak 9899 from cnoeabs.peaks (0.75, 1.67, 31.76 ppm; 3.99 A): 4 out of 5 assignments used, quality = 1.00: QD1 LEU 72 + HB VAL 71 OK 84 99 - 85 - 10171/2.1=23...(23) QD1 ILE 136 + HB VAL 71 OK 79 100 - 80 - 9685/2.1=16, 8496/3.0=9...(31) QD2 LEU 72 + HB VAL 71 OK 76 92 - 82 - ~11549=15, ~10171=14...(20) QG2 VAL 73 + HB VAL 71 OK 45 100 - 45 - 9961/4.6=16, ~9894=7...(8) QD1 LEU 108 - HB VAL 71 OK 22 94 - 24 - 10171/2.1=9, 2149/4.6=7 Peak 9900 from cnoeabs.peaks (1.78, 0.24, 22.24 ppm; 3.63 A): 7 out of 9 assignments used, quality = 0.95: HG LEU 72 + QG2 VAL 71 OK 72 98 - 73 - 5.3/2097=14, 2.1/8516=12...(18) HG2 PRO 57 + QG2 VAL 71 OK 48 99 - 48 - 2.3/2089=9, 10592/2.1=8...(20) HG LEU 39 + QG2 VAL 71 OK 33 94 - 35 - 852/4.3=6, 3.7/8505=5...(10) HB3 ARG 145 + QG2 VAL 71 OK 21 77 - 27 - 3.4/8505=4, 3.4/8505=4...(9) HD2 LYS 34 + QG2 VAL 71 OK 14 72 - 19 - 9800/8523=3, 8099/8525=3...(8) HD3 LYS 34 + QG2 VAL 71 OK 14 72 - 19 - 8099/8525=4, 9800/8523=4...(7) HB3 MET 59 + QG2 VAL 71 OK 14 100 - 14 - 9901/2.1=3, 1.8/8520=2...(5) HB3 ARG 55 - QG2 VAL 71 lone 2 98 - 2 - HB3 ARG 35 - QG2 VAL 71 lone 2 77 - 2 - Peak 9901 from cnoeabs.peaks (1.78, 0.58, 20.44 ppm; 3.65 A): 4 out of 9 assignments used, quality = 0.94: HG LEU 72 + QG1 VAL 71 OK 77 100 - 77 - 2.1/10171=15...(20) HG2 PRO 57 + QG1 VAL 71 OK 53 100 - 53 - 10592=11, 2.3/8513=9...(18) HG LEU 39 + QG1 VAL 71 OK 26 81 - 32 - 852/4.2=5, 9900/2.1=5...(9) HB3 ARG 145 + QG1 VAL 71 OK 23 92 - 25 - 9900/2.1=3, 1.8/2100=3...(9) HB3 MET 59 - QG1 VAL 71 OK 18 96 - 19 - 4.8/8320=4, 1.8/8514=4...(6) HD2 LYS 34 - QG1 VAL 71 OK 14 89 - 16 - 8099/8528=3, 9900/2.1=2...(5) HD3 LYS 34 - QG1 VAL 71 OK 13 89 - 15 - 8099/8528=3, 6747/4.2=2...(4) HB3 LYS 24 - QG1 VAL 71 lone 6 68 - 9 - ~8520=2, 8495/4.0=1...(4) HB3 ARG 55 - QG1 VAL 71 lone 3 89 - 3 - Peak 9904 from cnoeabs.peaks (7.29, 0.24, 22.24 ppm; 5.49 A): 1 out of 3 assignments used, quality = 0.80: H PHE 67 + QG2 VAL 71 OK 80 100 - 81 - 3.6/8523=30, 4.3/8524=27...(14) HZ2 TRP 17 - QG2 VAL 71 lone 5 100 - 5 - 11388/8483=2, 6664/8523=1 QE PHE 106 - QG2 VAL 71 lone 4 96 - 4 - 4.4/8505=1 Peak 9905 from cnoeabs.peaks (8.00, 0.24, 22.24 ppm; 4.93 A): 2 out of 6 assignments used, quality = 0.95: H VAL 73 + QG2 VAL 71 OK 91 94 - 96 - 3.0/2097=44, 9940/2.1=31...(21) H ALA 104 + QG2 VAL 71 OK 48 98 - 49 - 2.8/8506=10, 9906/2.1=8...(20) H ARG 145 - QG2 VAL 71 OK 26 99 - 27 - 6.0/8505=4, 6.0/8505=4...(10) H ARG 140 - QG2 VAL 71 OK 19 85 - 22 - 6750/4.3=3, 4.0/8520=3...(5) H GLN 47 - QG2 VAL 71 poor 10 72 - 13 - 6750/4.3=2, 6733/3.9=2...(4) H THR 51 - QG2 VAL 71 lone 2 85 - 3 - Peak 9906 from cnoeabs.peaks (8.00, 0.58, 20.44 ppm; 5.78 A): 2 out of 6 assignments used, quality = 0.97: H VAL 73 + QG1 VAL 71 OK 93 94 - 99 - 3.0/2103=48, ~2097=37...(25) H ALA 104 + QG1 VAL 71 OK 60 98 - 62 - 9905/2.1=11, 6750/4.2=10...(19) H ARG 145 - QG1 VAL 71 OK 29 99 - 30 - 9905/2.1=6, 4.0/9901=4...(9) H ARG 140 - QG1 VAL 71 OK 24 85 - 27 - 9905/2.1=5, 6750/4.2=4...(8) H GLN 47 - QG1 VAL 71 OK 12 72 - 17 - 6733/4.0=3, 6750/4.2=3...(5) H THR 51 - QG1 VAL 71 lone 4 85 - 5 - Peak 9907 from cnoeabs.peaks (7.50, 0.58, 20.44 ppm; 5.44 A): 2 out of 5 assignments used, quality = 0.93: H TYR 70 + QG1 VAL 71 OK 90 98 - 92 - 8483/2.1=47, 4.1/2098=41...(21) HE22 GLN 25 + QG1 VAL 71 OK 26 98 - 27 - 11697/4.2=18, 6722/4.0=3...(6) HD1 TRP 88 - QG1 VAL 71 OK 18 77 - 24 - 9399/9393=8, 8522/2.1=6...(5) HE ARG 49 - QG1 VAL 71 OK 17 100 - 17 - 11684/10271=4...(6) HE21 GLN 47 - QG1 VAL 71 lone 8 89 - 9 - 6722/4.0=3, 8522/2.1=1 Peak 9908 from cnoeabs.peaks (7.99, 1.81, 42.88 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.96: H VAL 73 + HB3 LEU 72 OK 89 89 - 100 - 4.4=100 H ALA 104 + HB3 LEU 72 OK 64 81 - 79 - ~10172=11, ~9197=10...(22) H ARG 140 - HB3 LEU 72 OK 24 96 - 25 - 2156/3.1=4, 2148/3.2=4...(6) H GLN 47 - HB3 LEU 72 OK 20 100 - 20 - 2156/3.1=3, 2148/3.2=3...(6) Peak 9909 from cnoeabs.peaks (8.00, 1.17, 42.88 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: H VAL 73 + HB2 LEU 72 OK 100 100 - 100 - 4.4=100 H ALA 104 + HB2 LEU 72 OK 79 100 - 79 - 2148/3.2=12, 2.9/9197=11...(22) H ARG 140 - HB2 LEU 72 OK 30 99 - 30 - 2156/3.1=5, 2148/3.2=5...(9) H GLN 47 - HB2 LEU 72 OK 20 94 - 21 - 2156/3.1=4, 2148/3.2=3...(6) H ARG 145 - HB2 LEU 72 OK 16 85 - 18 - 6750/3.4=2, 4.0/2120=2...(8) Peak 9910 from cnoeabs.peaks (1.90, 0.76, 26.47 ppm; 3.34 A): 4 out of 10 assignments used, quality = 0.94: QE MET 68 + QD1 LEU 72 OK 61 85 - 72 - 3.3/9912=19, 8424=16...(21) HB3 LEU 69 + QD1 LEU 72 OK 57 92 - 62 - 3.2/2151=8, 3.0/8468=5...(32) HB2 LYS 24 + QD1 LEU 72 OK 44 100 - 44 - 10880/2.1=8, 2152=4...(16) HB ILE 136 + QD1 LEU 72 OK 38 62 - 61 - 2.1/4617=8, 2.9/4625=6...(33) HB3 LYS 93 - QD1 LEU 72 OK 21 96 - 22 - 4.7/8545=8, 4.1/9035=4 HB ILE 101 - QD1 LEU 72 OK 11 99 - 11 - 10127/10172=3 HB3 ARG 140 - QD1 LEU 72 poor 10 98 - 10 - 4.0/2156=2 HB3 ARG 89 - QD1 LEU 72 lone 8 100 - 8 - HB3 ARG 141 - QD1 LEU 72 lone 8 89 - 9 - HB3 GLN 111 - QD1 LEU 72 lone 6 100 - 6 - Peak 9911 from cnoeabs.peaks (2.41, 0.76, 26.47 ppm; 3.86 A): 4 out of 7 assignments used, quality = 0.54: HG3 GLN 133 + QD1 LEU 72 OK 20 94 - 21 - 4.0/9618=5, 10306=3...(7) HG2 GLN 133 + QD1 LEU 72 OK 19 92 - 21 - 4.0/9618=5, 10306=3...(7) QE MET 46 + QD1 LEU 72 OK 19 99 - 19 - 10702/8541=4, 9952/2.1=2...(7) HB3 PRO 118 + QD1 LEU 72 OK 12 98 - 13 - 1.8/9943=2, 3.0/2150=2, ~9949=1 HG3 GLN 25 - QD1 LEU 72 lone 8 77 - 10 - 4.9/10227=4, 2988/8541=2 HG2 GLN 47 - QD1 LEU 72 lone 7 77 - 10 - 4.9/2156=2, 10306=1...(4) HG3 GLN 47 - QD1 LEU 72 lone 7 77 - 10 - 4.9/2156=2, 10306=1...(4) Peak 9912 from cnoeabs.peaks (2.54, 0.76, 26.47 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.87: HG3 MET 68 + QD1 LEU 72 OK 87 100 - 87 - 8427=24, 3.3/8424=15...(33) HB2 ASP 13 - QD1 LEU 72 lone 2 72 - 2 - HB2 ASP 16 - QD1 LEU 72 lone 1 62 - 1 - Peak 9913 from cnoeabs.peaks (7.53, 0.76, 26.47 ppm; 3.57 A): 3 out of 3 assignments used, quality = 0.86: H ILE 91 + QD1 LEU 72 OK 68 100 - 69 - 4.5/8541=15, 2.9/8962=9...(26) H LEU 95 + QD1 LEU 72 OK 41 96 - 42 - 3.5/9053=12, 3.5/9056=10...(11) H TRP 88 + QD1 LEU 72 OK 28 98 - 28 - 3.0/10168=5, 2986/8541=4...(11) Peak 9914 from cnoeabs.peaks (7.22, 0.75, 26.39 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.51: H GLU 37 + QD1 LEU 108 OK 31 98 - 32 - 9959=12, 10228/2.1=4...(11) QD PHE 45 + QD1 LEU 108 OK 29 100 - 29 - 9959=11, 10228/2.1=5...(8) HE3 TRP 17 - QD1 LEU 108 lone 5 100 - 5 - 10228/2.1=1, 10550/3.2=1 Peak 9915 from cnoeabs.peaks (7.32, 0.75, 26.39 ppm; 5.30 A): 0 out of 3 assignments used, low quality = 0.31: H GLU 81 - QD1 LEU 108 OK 23 94 - 24 - 3.4/8792=9, 8776/8798=5...(7) H ARG 35 - QD1 LEU 108 OK 11 77 - 14 - 6214/9914=5, 3.6/10173=4 H ASP 30 - QD1 LEU 108 poor 7 62 - 11 - 4.8/3511=2, 8080/9237=2 Peak 9916 from cnoeabs.peaks (6.54, 0.75, 26.39 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.49: HZ3 TRP 88 + QD1 LEU 108 OK 49 89 - 56 - ~10226=13, 2.5/4783=12...(12) HE22 GLN 22 - QD1 LEU 108 lone 3 62 - 4 - 11285/2.1=1 Peak 9917 from cnoeabs.peaks (8.22, 3.19, 65.90 ppm; 4.96 A): 3 out of 5 assignments used, quality = 1.00: H THR 74 + HA VAL 73 OK 100 100 - 100 - 3.6=100 H ARG 124 + HA VAL 73 OK 62 92 - 68 - 4.8/8582=30...(12) H ILE 136 + HA VAL 73 OK 47 99 - 48 - 2184/3.2=10, 2178/3.2=9...(14) H GLY 125 - HA VAL 73 OK 30 92 - 33 - 7559/3.6=7, 6768/3.0=5...(11) H MET 11 - HA VAL 73 lone 3 72 - 4 - Peak 9918 from cnoeabs.peaks (8.33, 3.19, 65.90 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.60: H GLY 78 + HA VAL 73 OK 60 72 - 83 - ~8712=34, 8558/4.8=32...(10) H THR 99 - HA VAL 73 lone 2 68 - 2 - Peak 9919 from cnoeabs.peaks (6.54, 0.11, 19.31 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.64: HZ3 TRP 88 + QG1 VAL 73 OK 53 72 - 74 - ~8556=32, 8555/2.1=24...(12) HE22 GLN 22 + QG1 VAL 73 OK 22 81 - 27 - 1.7/8551=13, ~8553=6...(5) Peak 9920 from cnoeabs.peaks (7.35, 0.11, 19.31 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.87: H GLY 77 + QG1 VAL 73 OK 77 94 - 81 - 8675=35, 4.5/8561=30...(13) H ARG 109 + QG1 VAL 73 OK 35 89 - 39 - 5.7/8570=7, 7290/2.1=7...(13) QD PHE 43 + QG1 VAL 73 OK 14 100 - 14 - 10633/10657=4...(6) Peak 9921 from cnoeabs.peaks (7.64, 0.11, 19.31 ppm; 4.63 A): 2 out of 5 assignments used, quality = 0.94: H VAL 82 + QG1 VAL 73 OK 92 96 - 96 - 3.2/8585=44...(17) H LEU 66 + QG1 VAL 73 OK 27 100 - 27 - 2491/8585=7...(8) H GLU 122 - QG1 VAL 73 OK 23 100 - 22 - 9452/9598=4, 3.6/8567=3...(9) H LEU 97 - QG1 VAL 73 poor 8 68 - 11 - 4.7/8570=5, 8070/8588=1 HD21 ASN 130 - QG1 VAL 73 lone 7 99 - 7 - ~9541=1, 9922/2.1=1 Peak 9922 from cnoeabs.peaks (7.63, 0.76, 23.82 ppm; 4.63 A): 1 out of 5 assignments used, quality = 0.98: H VAL 82 + QG2 VAL 73 OK 98 100 - 98 - 3.2/8594=42...(18) H LYS 93 - QG2 VAL 73 OK 36 89 - 40 - 5.1/8596=7, 4.4/9028=6...(11) H LEU 66 - QG2 VAL 73 OK 20 92 - 22 - 2491/8594=6, 9921/2.1=6...(4) H GLU 122 - QG2 VAL 73 OK 16 96 - 16 - 9921/2.1=5, 3.0/8573=3...(5) HD21 ASN 130 - QG2 VAL 73 lone 6 81 - 7 - 9921/2.1=2, ~9541=1 Peak 9924 from cnoeabs.peaks (7.51, 0.76, 23.82 ppm; 4.69 A): 0 out of 2 assignments used, low quality = 0.21: HE22 GLN 25 - QG2 VAL 73 OK 21 89 - 24 - ~8551=10, 11697/9961=8...(4) HE ARG 49 - QG2 VAL 73 poor 7 62 - 11 - 11597/8594=4, 3.9/8596=3 Peak 9925 from cnoeabs.peaks (8.58, 0.76, 23.82 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.92: H LEU 72 + QG2 VAL 73 OK 87 94 - 92 - 3.0/2179=35, 9961=25...(30) H ASP 40 + QG2 VAL 73 OK 26 100 - 26 - 6757/3.9=5, 9002/8593=3...(7) H LYS 85 + QG2 VAL 73 OK 12 68 - 18 - 10037/11036=5...(5) Peak 9927 from cnoeabs.peaks (1.51, 2.29, 36.56 ppm; 4.12 A): 5 out of 18 assignments used, quality = 0.82: HG3 LYS 76 + HG3 GLU 75 OK 50 72 - 69 - 8635/1.8=16, ~8634=13...(15) HG3 PRO 57 + HG3 GLU 75 OK 39 99 - 39 - ~11514=7, 8635/1.8=7...(14) HB2 LYS 123 + HG3 GLU 75 OK 25 100 - 25 - ~8639=6, ~8639=6...(6) QB ALA 135 + HG3 GLU 75 OK 12 89 - 13 - 8626/5.0=3, 8635/1.8=2...(5) HG3 LYS 85 + HG3 GLU 75 OK 11 96 - 11 - 10041/8642=3, 8635/1.8=2 HG2 LYS 93 - HG3 GLU 75 lone 6 72 - 8 - 8660/8642=1, 8635/1.8=1 HB2 LEU 29 - HG3 GLU 75 lone 5 85 - 6 - 8635/1.8=2 HB2 LYS 123 - HG2 GLU 120 poor 5 37 - 13 - 4012/3.8=9, 9465/8893=1 HG3 LYS 85 - HG2 GLU 120 poor 4 34 - 12 - 8864/3.0=4, ~11605=1...(4) HB2 GLU 122 - HG3 GLU 75 lone 3 98 - 3 - HG2 LYS 34 - HG3 GLU 75 lone 3 62 - 4 - ~10808=1 HG3 LYS 76 - HG2 GLU 120 poor 3 22 - 12 - 5.1/6810=3, 1.8/11553=2...(4) HB2 GLU 122 - HG2 GLU 120 lone 1 35 - 4 - 4012/3.8=2, 9449/7497=1 HG3 PRO 57 - HG2 GLU 120 lone 1 36 - 4 - 4012/3.8=1 QB ALA 135 - HG2 GLU 120 lone 1 29 - 4 - HG2 LYS 93 - HG2 GLU 120 lone 0 22 - 2 - HB2 LEU 29 - HG2 GLU 120 lone 0 28 - 1 - HG2 LYS 34 - HG2 GLU 120 lone 0 18 - 2 - 4012/3.8=1 Peak 9928 from cnoeabs.peaks (2.27, 4.35, 44.31 ppm; 5.10 A): 0 out of 7 assignments used, low quality = 0.00: HG3 GLU 142 - HA3 GLY 77 poor 10 89 - 11 - 8690/1.8=4, ~8676=4, 8679/3.0=3 HG3 GLU 90 - HA3 GLY 77 lone 6 92 - 7 - ~8690=2, ~8690=2, ~8679=1 HG2 GLU 131 - HA3 GLY 77 lone 5 89 - 6 - 8679/3.0=3, 8690/1.8=2 HB3 MET 113 - HA3 GLY 77 lone 4 96 - 4 - 8679/3.0=2, 8690/1.8=2 HG2 GLU 90 - HA3 GLY 77 lone 4 92 - 5 - 8690/1.8=2, 8679/3.0=2 HG2 MET 113 - HA3 GLY 77 lone 4 68 - 5 - ~8690=2, ~8690=1, ~8679=1 HG3 PRO 129 - HA3 GLY 77 lone 2 100 - 2 - Peak 9930 from cnoeabs.peaks (8.62, 0.78, 22.56 ppm; 3.51 A): 0 out of 3 assignments used, low quality = 0.40: H LEU 69 - QD1 LEU 79 OK 26 62 - 42 - 2.9/8468=7, 8466=7...(12) H LEU 69 - QD2 LEU 95 OK 19 47 - 40 - 4.4/8430=6, 8466=6...(12) H LEU 69 - QG2 THR 74 poor 7 35 - 19 - 4.3/8443=3, 8466=3...(9) Peak 9931 from cnoeabs.peaks (9.19, 0.78, 22.56 ppm; 3.75 A): 6 out of 6 assignments used, quality = 0.85: H TYR 112 + QD1 LEU 79 OK 42 100 - 42 - 9298=12, 4.5/8719=10...(8) H ASP 65 + QD1 LEU 79 OK 34 100 - 34 - 9853=14, 4.0/8384=5...(7) H TYR 112 + QG2 THR 74 OK 28 65 - 42 - 9298=12, 7367/3.2=7...(14) H ASP 65 + QD2 LEU 95 OK 27 85 - 32 - 9853=12, 4.0/8384=6...(8) H ASP 65 + QG2 THR 74 OK 16 66 - 24 - 9853=9, 4.0/8384=3...(7) H TYR 112 + QD2 LEU 95 OK 13 85 - 15 - 9298=4, 3.9/9316=2...(5) Peak 9932 from cnoeabs.peaks (9.55, 0.78, 22.56 ppm; 5.69 A): 3 out of 3 assignments used, quality = 0.91: HE1 TRP 88 + QD1 LEU 79 OK 83 89 - 94 - ~8718=30, 8921/2.1=30...(21) HE1 TRP 88 + QD2 LEU 95 OK 33 71 - 47 - 2.8/8943=11, 5.0/9975=8...(14) HE1 TRP 88 + QG2 THR 74 OK 15 54 - 28 - 2.8/8943=6, 5.0/8944=4...(11) Peak 9933 from cnoeabs.peaks (7.07, 0.78, 22.56 ppm; 4.13 A): 5 out of 6 assignments used, quality = 0.90: H MET 68 + QD1 LEU 79 OK 57 100 - 58 - 8443=16, 4.3/9930=13...(13) H MET 68 + QD2 LEU 95 OK 53 85 - 63 - 8443=16, 4.4/10095=15...(17) QD TYR 70 + QD1 LEU 79 OK 25 92 - 27 - 3.1/8480=7, 4.4/10943=6...(9) H MET 68 + QG2 THR 74 OK 21 65 - 32 - 8443=9, 3.6/11231=4...(10) QD TYR 70 + QD2 LEU 95 OK 13 74 - 17 - 4.4/10943=4, 3.1/8480=3...(5) QD TYR 70 - QG2 THR 74 poor 9 56 - 16 - 3.1/8480=6, 8523/10999=2 Peak 9934 from cnoeabs.peaks (7.34, 0.78, 22.56 ppm; 4.46 A): 7 out of 9 assignments used, quality = 0.92: H ARG 109 + QD1 LEU 79 OK 59 98 - 61 - 2.9/9271=15, ~8728=11...(17) H GLU 81 + QD1 LEU 79 OK 53 89 - 60 - ~6860=15, 3.5/6861=12...(15) H ARG 109 + QG2 THR 74 OK 20 63 - 32 - 2.9/9271=6, 7285/2.1=6...(6) H ARG 109 + QD2 LEU 95 OK 15 82 - 18 - 2.9/9271=5, 10236/9975=2...(6) QD PHE 43 + QD1 LEU 79 OK 15 81 - 18 - ~10829=7, 3.1/8618=3...(6) H GLU 81 + QD2 LEU 95 OK 15 71 - 21 - 3.5/6861=4, 3.4/10944=3...(9) H GLU 81 + QG2 THR 74 OK 12 54 - 22 - 3.5/6861=3, 4.9/9968=2...(10) QD PHE 43 - QD2 LEU 95 lone 4 64 - 7 - ~10114=3, ~10093=2 QD PHE 43 - QG2 THR 74 lone 3 48 - 6 - 8559/3.2=1, 3.1/8618=1 Peak 9935 from cnoeabs.peaks (6.53, 0.78, 22.56 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.57: HZ3 TRP 88 + QD1 LEU 79 OK 48 100 - 49 - 2.4/8721=31, 4.3/8720=13...(5) HZ3 TRP 88 + QD2 LEU 95 OK 17 85 - 20 - 2.4/8721=8, 4.3/8943=6...(4) HZ3 TRP 88 - QG2 THR 74 poor 9 66 - 14 - 2.4/8944=4, 4.3/8943=3...(5) Peak 9936 from cnoeabs.peaks (7.64, 0.78, 22.56 ppm; 4.10 A): 6 out of 18 assignments used, quality = 0.93: H VAL 82 + QD1 LEU 79 OK 50 92 - 54 - 4.0/9941=14, 2363/4.0=12...(15) H LEU 66 + QD1 LEU 79 OK 46 100 - 46 - ~11154=8, 4.4/9853=7...(11) H LEU 97 + QD2 LEU 95 OK 31 60 - 52 - 11419=15, 4.6/7128=12...(7) H LEU 66 + QD2 LEU 95 OK 29 86 - 34 - 4.6/8384=6, 4.4/9853=6...(10) H LEU 97 + QD1 LEU 79 OK 28 77 - 36 - 11419=9, 3.6/9083=8...(8) H GLU 122 + QD2 LEU 95 OK 26 85 - 30 - 9460/3.1=11, 3.1/9450=7...(6) H VAL 82 - QD2 LEU 95 OK 19 74 - 25 - 4.0/9941=6, ~6910=3...(10) H VAL 82 - QG2 THR 74 OK 18 56 - 31 - 3.2/8616=6, 4.0/9941=5...(9) H GLU 122 - QD1 LEU 79 OK 17 100 - 17 - 3.1/9450=3, 9452/8741=2...(5) H LEU 66 - QG2 THR 74 OK 15 67 - 23 - 4.4/9853=4, 4.6/8384=3...(6) H GLU 122 - QG2 THR 74 poor 9 65 - 14 - 3.1/9450=4, 3.6/8618=2 H LEU 97 - QG2 THR 74 poor 7 44 - 16 - 11419=4, 3.6/9083=3...(5) H GLY 50 - QD2 LEU 95 poor 6 47 - 13 - 10118/2.1=2, ~3144=1...(6) H GLY 50 - QD1 LEU 79 lone 3 62 - 4 - HD21 ASN 130 - QD1 LEU 79 lone 2 100 - 2 - HD21 ASN 130 - QD2 LEU 95 lone 2 85 - 2 - HD21 ASN 130 - QG2 THR 74 lone 1 66 - 1 - H GLY 50 - QG2 THR 74 lone 1 35 - 2 - Peak 9937 from cnoeabs.peaks (7.92, 0.78, 22.56 ppm; 4.88 A): 0 out of 3 assignments used, low quality = 0.20: H ASN 139 - QD1 LEU 79 OK 11 98 - 11 - 9726/3.1=3, 3.6/3152=2...(4) H ASN 139 - QD2 LEU 95 OK 10 82 - 12 - 3.6/3152=3, 4.7/8733=2...(4) H ASN 139 - QG2 THR 74 poor 8 63 - 13 - 7787/2.1=5, ~7813=3, ~10356=2 Peak 9938 from cnoeabs.peaks (8.09, 0.78, 22.56 ppm; 4.56 A): 4 out of 6 assignments used, quality = 0.79: H ASN 96 + QD2 LEU 95 OK 47 56 - 85 - 3.6/3124=24, 7121/4.9=20...(14) H ASN 96 + QD1 LEU 79 OK 42 72 - 58 - 3.0/9083=11, 3.6/3124=11...(12) H ASP 16 + QD2 LEU 95 OK 23 83 - 27 - 11581/3.1=19...(4) H ASN 96 + QG2 THR 74 OK 11 41 - 25 - 3.0/9083=4, 7128=3...(9) H ASP 16 - QD1 LEU 79 lone 6 99 - 6 - 11581/3132=3 H ASP 16 - QG2 THR 74 lone 1 64 - 2 - Peak 9939 from cnoeabs.peaks (6.55, 0.62, 26.93 ppm; 6.37 A): 2 out of 2 assignments used, quality = 0.86: QE TYR 117 + QD2 LEU 79 OK 81 85 - 95 - 2.2/8716=50, 9981=39...(15) HE22 GLN 22 + QD2 LEU 79 OK 24 100 - 24 - 11293/2.1=11...(7) Peak 9940 from cnoeabs.peaks (5.35, 0.62, 26.93 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9941 from cnoeabs.peaks (-1.13, 0.78, 22.56 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.82: QG1 VAL 82 + QD1 LEU 79 OK 66 100 - 67 - 9982=21, 8794/4.0=18...(16) QG1 VAL 82 + QD2 LEU 95 OK 31 85 - 36 - 9982=11, 8824/9075=6...(15) QG1 VAL 82 + QG2 THR 74 OK 25 65 - 38 - 9982=7, 2.1/8616=6...(13) Peak 9942 from cnoeabs.peaks (-1.13, 1.16, 24.82 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 82 + HG2 LYS 76 OK 97 100 - 98 - 2.1/11055=47, ~11718=28...(27) Peak 9943 from cnoeabs.peaks (0.42, 1.16, 24.82 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.95: QG2 VAL 82 + HG2 LYS 76 OK 95 100 - 95 - 11718/3.0=30...(23) Peak 9944 from cnoeabs.peaks (0.72, 1.16, 24.82 ppm; 3.74 A): 3 out of 3 assignments used, quality = 0.93: QD2 LEU 108 + HG2 LYS 76 OK 66 94 - 70 - 8654/3.0=23, 8660/1.8=19...(19) QD1 LEU 87 + HG2 LYS 76 OK 54 62 - 87 - 8660/1.8=24, ~8665=16...(25) QD2 LEU 87 + HG2 LYS 76 OK 54 68 - 80 - ~8660=17, 8665/3.0=14...(24) Peak 9945 from cnoeabs.peaks (0.59, 3.13, 67.65 ppm; 3.91 A): 5 out of 5 assignments used, quality = 0.93: QD1 LEU 132 + HA VAL 80 OK 83 99 - 84 - 9581=23, 8755/3.2=18...(22) QG1 VAL 71 + HA VAL 80 OK 27 89 - 30 - 2.1/8505=10, 3.2/8501=8...(6) QD1 LEU 66 + HA VAL 80 OK 26 62 - 42 - 2.1/8742=11, 2.1/2412=7...(11) QG2 ILE 58 + HA VAL 80 OK 19 72 - 26 - 8272/3.2=9, 10024/8742=6...(7) QD1 ILE 56 + HA VAL 80 OK 11 96 - 12 - 8755/3.2=3, 10871/8746=1 Peak 9946 from cnoeabs.peaks (0.67, 0.89, 24.85 ppm; 3.46 A): 4 out of 4 assignments used, quality = 0.91: QD1 ILE 83 + QG2 VAL 80 OK 67 100 - 67 - 8742/3.2=13...(24) QD2 LEU 66 + QG2 VAL 80 OK 47 100 - 48 - 9910/4.4=12, 2.1/8755=9...(13) QD2 LEU 39 + QG2 VAL 80 OK 35 99 - 35 - 2.1/11064=7, 862/3.2=5...(13) HB3 LEU 116 + QG2 VAL 80 OK 17 94 - 18 - ~10297=3, 8742/3.2=3...(7) Peak 9947 from cnoeabs.peaks (1.92, 0.89, 24.85 ppm; 3.84 A): 3 out of 13 assignments used, quality = 0.97: HB3 LEU 132 + QG2 VAL 80 OK 87 100 - 87 - 3.2/8756=27, 1.8/8754=21...(17) HG13 ILE 83 + QG2 VAL 80 OK 63 92 - 68 - 2.1/9984=18, ~8742=9...(20) HB2 GLN 62 + QG2 VAL 80 OK 48 99 - 48 - 8342=16, ~8759=9...(14) HB ILE 136 - QG2 VAL 80 OK 31 85 - 36 - 9987=5, 2.5/4638=3...(16) HB2 PRO 118 - QG2 VAL 80 OK 27 100 - 27 - 4.3/9956=4, 3.0/8748=4...(9) HB2 ARG 140 - QG2 VAL 80 OK 22 98 - 22 - 4.0/9738=3, 4.7/9958=3...(5) QE MET 68 - QG2 VAL 80 OK 18 62 - 29 - 4.2/2427=4, 4.6/8747=3...(12) HG3 PRO 12 - QG2 VAL 80 OK 12 100 - 12 - 1.8/9987=2 HG2 PRO 12 - QG2 VAL 80 OK 11 99 - 11 - 9987=3 HB2 LYS 86 - QG2 VAL 80 lone 9 96 - 10 - 1.8/8875=3 HB2 MET 59 - QG2 VAL 80 lone 9 100 - 9 - HB2 ARG 89 - QG2 VAL 80 lone 6 81 - 7 - 3.0/8762=2 HB3 PRO 52 - QG2 VAL 80 lone 4 62 - 6 - Peak 9948 from cnoeabs.peaks (1.63, 0.89, 24.85 ppm; 4.18 A): 6 out of 7 assignments used, quality = 0.76: HB3 LEU 26 + QG2 VAL 80 OK 43 85 - 50 - 3.0/10545=14...(9) HG3 LYS 34 + QG2 VAL 80 OK 23 100 - 23 - 11174/4.4=12, 4.0/8748=3...(4) HD2 LYS 24 + QG2 VAL 80 OK 18 100 - 18 - ~8760=4, ~8744=2...(7) HB2 LEU 87 + QG2 VAL 80 OK 14 85 - 17 - ~8744=2, 3.0/9992=2...(6) HG3 ARG 49 + QG2 VAL 80 OK 13 81 - 16 - 3.0/9949=7, 3.0/8752=2 HB3 LEU 64 + QG2 VAL 80 OK 11 89 - 12 - 10003/9984=2, 3.8/9962=1 HG3 ARG 144 - QG2 VAL 80 lone 3 89 - 3 - Peak 9949 from cnoeabs.peaks (1.36, 0.89, 24.85 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.52: HB VAL 82 + QG2 VAL 80 OK 27 68 - 40 - ~8743=12, ~9987=8...(7) HD3 LYS 76 + QG2 VAL 80 OK 24 81 - 30 - 8777/4.4=7, 3.0/8753=7...(8) HB3 ARG 49 + QG2 VAL 80 OK 13 72 - 18 - 8777/4.4=6, 3.0/9948=3...(5) Peak 9950 from cnoeabs.peaks (2.45, 0.80, 21.79 ppm; 5.97 A): 3 out of 8 assignments used, quality = 1.00: HB3 GLU 131 + QG1 VAL 80 OK 97 100 - 97 - 9557=26, 1.8/10404=26...(23) HG3 GLU 131 + QG1 VAL 80 OK 84 89 - 94 - 2.9/10404=25...(21) HB3 GLU 131 + QD2 LEU 126 OK 49 70 - 70 - 2.9/9562=12, 9557=12...(20) HG3 GLU 131 - QD2 LEU 126 OK 32 57 - 55 - 9562=13, 2.9/9557=11...(11) HG2 MET 11 - QG1 VAL 80 OK 27 85 - 31 - 8750/2.1=5, ~2427=3...(13) HG3 GLU 28 - QG1 VAL 80 OK 24 99 - 24 - 4.9/9961=6, 8750/2.1=5...(8) HG3 GLU 28 - QD2 LEU 126 poor 10 68 - 14 - 4.9/9961=2, 335/3.1=2, ~328=1 HG2 MET 11 - QD2 LEU 126 poor 7 54 - 12 - ~9495=3, ~11081=2...(4) Peak 9951 from cnoeabs.peaks (3.98, 0.89, 24.85 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.69: HB3 SER 127 + QG2 VAL 80 OK 69 92 - 75 - 9521=34, 1.8/9520=18...(12) HA GLU 75 - QG2 VAL 80 lone 7 100 - 7 - 8510/8755=1 HA3 GLY 143 - QG2 VAL 80 lone 2 94 - 2 - Peak 9952 from cnoeabs.peaks (4.61, 0.89, 24.85 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.69: HA PRO 129 + QG2 VAL 80 OK 55 100 - 55 - 10276/8764=12...(15) HA ARG 124 + QG2 VAL 80 OK 32 85 - 37 - ~9476=7, ~9481=5...(10) HA HIS 10 - QG2 VAL 80 lone 8 99 - 8 - 9591/8756=2 Peak 9953 from cnoeabs.peaks (4.01, 0.80, 21.79 ppm; 3.68 A): 9 out of 26 assignments used, quality = 0.91: HA GLU 81 + QG1 VAL 80 OK 59 89 - 66 - 2.9/2424=19, 9970=17...(11) HB3 SER 100 + QG1 VAL 80 OK 31 100 - 31 - ~8762=7, ~9165=6...(11) HA GLU 37 + QG1 VAL 80 OK 22 92 - 24 - 3.6/9960=13, 9970=5...(4) HA LYS 123 + QG1 VAL 80 OK 17 96 - 18 - 3.6/9476=7, ~8753=2...(6) HA GLU 81 + QD2 LEU 126 OK 17 57 - 29 - 2.9/6874=7, 9970=7...(7) HA LEU 69 + QG1 VAL 80 OK 15 62 - 24 - 4.9/8761=10, 10963/2.1=3...(10) HA LYS 123 + QD2 LEU 126 OK 13 65 - 20 - 3.6/9476=8, 4097/2.1=3...(4) HA LEU 69 + QD2 LEU 126 OK 13 37 - 35 - ~11377=7, 3.0/8470=6...(11) HA MET 113 + QG1 VAL 80 OK 11 68 - 16 - 3.0/9964=5, 3.7/8757=3...(6) HA GLU 122 - QG1 VAL 80 poor 10 68 - 14 - ~8753=4, ~9987=2...(6) HA VAL 63 - QG1 VAL 80 poor 9 72 - 13 - 10170/3.2=2, 6876/4.2=2...(4) HB THR 107 - QG1 VAL 80 lone 9 99 - 9 - 9243/2.1=2, 9203/8760=2...(4) HA GLU 37 - QD2 LEU 126 poor 7 60 - 11 - 3.6/9960=7, 9970=2 HB3 SER 138 - QG1 VAL 80 poor 7 62 - 11 - ~9991=3, ~10469=3, ~10344=2 HB2 SER 138 - QG1 VAL 80 poor 6 62 - 10 - ~9991=3, ~10469=3, ~10344=2 HB2 SER 103 - QG1 VAL 80 lone 6 100 - 6 - 9203/8760=1, 10147/3.2=1 HA LYS 114 - QG1 VAL 80 lone 5 68 - 7 - 10197/4.2=4 HA VAL 63 - QD2 LEU 126 lone 4 44 - 10 - ~9866=4, 11450/5.0=2, 8355/3.1=1 HA MET 113 - QD2 LEU 126 poor 4 41 - 10 - 3.0/9964=3, ~9317=3, 3.7/8757=1 HB THR 107 - QD2 LEU 126 lone 3 68 - 4 - HA LYS 114 - QD2 LEU 126 lone 3 41 - 7 - ~4302=1, ~3745=1 HB3 SER 100 - QD2 LEU 126 lone 2 71 - 3 - HB2 SER 103 - QD2 LEU 126 lone 1 71 - 1 - HB2 SER 138 - QD2 LEU 126 lone 1 37 - 2 - HB3 SER 138 - QD2 LEU 126 lone 1 37 - 2 - HA GLU 122 - QD2 LEU 126 lone 1 41 - 2 - Peak 9954 from cnoeabs.peaks (4.63, 0.80, 21.79 ppm; 3.89 A): 4 out of 12 assignments used, quality = 0.76: HA ARG 124 + QD2 LEU 126 OK 46 54 - 85 - 10342/2.1=17...(25) HA ARG 124 + QG1 VAL 80 OK 43 85 - 50 - 3.6/9490=10, 3.0/9476=9...(12) HA LEU 87 + QD2 LEU 126 OK 12 54 - 22 - ~11673=4, ~6995=4...(8) HA GLN 111 + QD2 LEU 126 OK 10 41 - 25 - ~11592=8, 10181/2.1=4...(8) HA LEU 87 - QG1 VAL 80 poor 9 85 - 10 - ~9948=2, 9992/2.1=2, 4.3/8760=2 HA GLN 111 - QG1 VAL 80 poor 8 68 - 12 - 10178/4.2=10 HA ASP 16 - QD2 LEU 126 lone 4 68 - 6 - 10342/2.1=2 HA ASP 16 - QG1 VAL 80 lone 4 99 - 4 - HA ASP 32 - QG1 VAL 80 lone 1 72 - 2 - HG1 THR 110 - QG1 VAL 80 lone 0 68 - 1 - HA ASP 32 - QD2 LEU 126 lone 0 44 - 1 - HG1 THR 110 - QD2 LEU 126 lone 0 41 - 1 - Peak 9955 from cnoeabs.peaks (7.14, 0.89, 24.85 ppm; 5.55 A): 2 out of 3 assignments used, quality = 0.75: QD TYR 117 + QG2 VAL 80 OK 57 92 - 62 - 2.2/8764=49, 4.6/8748=5...(9) QD PHE 106 + QG2 VAL 80 OK 43 100 - 43 - 4.5/9225=8, 5670/8764=6...(14) QE PHE 45 - QG2 VAL 80 lone 6 57 - 10 - 9446/8753=2, 9427/9956=2 Peak 9956 from cnoeabs.peaks (7.86, 0.89, 24.85 ppm; 4.71 A): 3 out of 3 assignments used, quality = 0.76: H ALA 135 + QG2 VAL 80 OK 65 89 - 73 - 2.9/8753=17, ~9627=15...(15) H TYR 119 + QG2 VAL 80 OK 24 96 - 25 - 7692/9957=4...(9) H PHE 38 + QG2 VAL 80 OK 11 81 - 13 - 9960/2.1=7, ~8757=2, 6.3/9783=2 Peak 9957 from cnoeabs.peaks (8.05, 0.89, 24.85 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.81: H GLN 133 + QG2 VAL 80 OK 81 92 - 89 - 4.7/8756=29, 4.6/8755=20...(20) Peak 9958 from cnoeabs.peaks (8.19, 0.89, 24.85 ppm; 4.44 A): 3 out of 3 assignments used, quality = 0.86: H GLU 131 + QG2 VAL 80 OK 72 94 - 76 - 5.0/8750=13...(18) H GLU 142 + QG2 VAL 80 OK 32 100 - 32 - 7851/2.1=5, 4.4/2427=4...(14) H ARG 141 + QG2 VAL 80 OK 25 85 - 29 - 3.2/9738=5, 4.0/2427=5...(10) Peak 9959 from cnoeabs.peaks (6.77, 0.80, 21.79 ppm; 4.79 A): 0 out of 4 assignments used, low quality = 0.00: QE TYR 112 - QG1 VAL 80 poor 7 62 - 11 - 8492/8761=6...(3) QE TYR 112 - QD2 LEU 126 poor 6 37 - 16 - ~4709=9, 8560/2188=3...(4) HZ3 TRP 17 - QG1 VAL 80 lone 3 98 - 3 - 8492/8761=2 HZ3 TRP 17 - QD2 LEU 126 lone 1 67 - 2 - Peak 9960 from cnoeabs.peaks (7.88, 0.80, 21.79 ppm; 4.30 A): 0 out of 2 assignments used, low quality = 0.10: H PHE 38 - QG1 VAL 80 OK 10 96 - 11 - 3.6/9970=4, 3.2/8757=2 H PHE 38 - QD2 LEU 126 lone 6 65 - 9 - ~11078=4, 3.6/9970=2, 3.2/8757=1 Peak 9961 from cnoeabs.peaks (7.71, 0.80, 21.79 ppm; 5.58 A): 0 out of 6 assignments used, low quality = 0.26: H PHE 106 - QG1 VAL 80 OK 15 68 - 22 - 9225/2.1=6, 4.0/2420=3...(6) HD21 ASN 128 - QG1 VAL 80 OK 13 89 - 15 - 8763/2.1=5, 9513/9557=3 H GLU 28 - QG1 VAL 80 poor 9 72 - 12 - ~10541=3, 4.9/9990=3 HD21 ASN 128 - QD2 LEU 126 lone 4 57 - 6 - 9513/9562=2, 9513/9557=2 H GLU 28 - QD2 LEU 126 lone 3 44 - 6 - 4.9/9990=1 H PHE 106 - QD2 LEU 126 lone 2 41 - 4 - Peak 9962 from cnoeabs.peaks (8.30, 0.89, 24.85 ppm; 4.79 A): 5 out of 5 assignments used, quality = 0.89: H ASN 128 + QG2 VAL 80 OK 67 100 - 68 - 9523=27, 4.7/9951=26...(11) H VAL 71 + QG2 VAL 80 OK 39 92 - 42 - 4.0/8755=10, ~8501=6...(15) H THR 99 + QG2 VAL 80 OK 27 92 - 30 - 3.0/9148=8, 4.0/8754=7...(7) H THR 18 + QG2 VAL 80 OK 13 100 - 13 - ~8761=4, 3.0/8762=3 H LEU 64 + QG2 VAL 80 OK 10 62 - 16 - 3.8/9948=3, 10580/8272=3 Peak 9963 from cnoeabs.peaks (8.83, 0.89, 24.85 ppm; 6.60 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9964 from cnoeabs.peaks (8.88, 0.80, 21.79 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.57: H ASN 84 + QG1 VAL 80 OK 42 68 - 62 - 5.7/8765=17, 5.7/8766=14...(11) H MET 113 + QG1 VAL 80 OK 17 89 - 19 - 5.2/8757=3, ~9991=3...(7) H MET 113 + QD2 LEU 126 OK 11 57 - 19 - 9317/2.1=7, 3.9/9298=3...(4) H ASN 84 - QD2 LEU 126 poor 5 41 - 12 - 5.7/8765=2, 4.0/8852=2...(5) Peak 9965 from cnoeabs.peaks (8.89, 3.13, 67.65 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.86: H ASN 84 + HA VAL 80 OK 79 100 - 80 - 3.2/2411=27, 6918=22...(16) H LYS 34 + HA VAL 80 OK 31 100 - 31 - 3.0/8746=4, 2438/4.9=3...(14) Peak 9966 from cnoeabs.peaks (8.58, 2.14, 35.27 ppm; 5.35 A): 3 out of 3 assignments used, quality = 0.78: H LYS 85 + HG2 GLU 81 OK 48 68 - 71 - 5.1/8780=21, 9967/1.8=17...(13) H LEU 72 + HG2 GLU 81 OK 46 94 - 49 - 8533=22, 9967/1.8=13...(9) H ASP 40 + HG2 GLU 81 OK 22 100 - 22 - 6273/3.7=8, 9967/1.8=7...(5) Peak 9967 from cnoeabs.peaks (8.57, 2.29, 35.27 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.81: H LYS 85 + HG3 GLU 81 OK 58 94 - 61 - 5.1/8787=15, 9966/1.8=14...(11) H LEU 72 + HG3 GLU 81 OK 43 100 - 43 - 8533/1.8=21, 2.9/11519=6...(9) H ASP 40 + HG3 GLU 81 OK 22 98 - 23 - 6273/3.7=8, 9966/1.8=7...(6) Peak 9968 from cnoeabs.peaks (0.79, 2.14, 35.27 ppm; 5.01 A): 5 out of 5 assignments used, quality = 0.92: QD1 LEU 79 + HG2 GLU 81 OK 52 99 - 52 - ~8786=8, 9996/1.8=8...(13) QD2 LEU 126 + HG2 GLU 81 OK 51 98 - 52 - ~9494=13, ~9494=10...(10) QG1 VAL 80 + HG2 GLU 81 OK 47 81 - 58 - 4.2/2455=30, 9989/1.8=11...(8) QG2 THR 74 + HG2 GLU 81 OK 24 100 - 24 - 9996/1.8=4, 8616/8782=3...(9) QD2 LEU 95 + HG2 GLU 81 OK 14 92 - 16 - 9996/1.8=2, 9934/4.9=2...(6) Peak 9969 from cnoeabs.peaks (0.80, 2.29, 35.27 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.74: QG1 VAL 80 + HG3 GLU 81 OK 60 98 - 62 - 4.2/2462=27, 9970/3.7=17...(8) QD2 LEU 126 + HG3 GLU 81 OK 35 81 - 43 - 2.1/9494=15, 9989=7...(8) QD1 LEU 95 - HG3 GLU 81 lone 4 62 - 6 - ~9968=2, ~8784=1, ~9995=1 HG LEU 42 - HG3 GLU 81 lone 1 68 - 2 - Peak 9970 from cnoeabs.peaks (0.80, 4.02, 58.92 ppm; 4.01 A): 3 out of 6 assignments used, quality = 0.82: QG1 VAL 80 + HA GLU 81 OK 69 100 - 70 - 2424/2.9=22, ~2430=15...(14) QD2 LEU 126 + HA GLU 81 OK 27 89 - 31 - 6874/2.9=8, 9969/3.7=7...(7) QG1 VAL 80 + HA GLU 37 OK 20 75 - 27 - 9960/3.6=15, 4.2/2431=5...(5) QD2 LEU 126 - HA GLU 37 poor 8 62 - 13 - 9960/3.6=9, 9953=1 HG LEU 42 - HA GLU 37 poor 4 37 - 11 - ~8161=6, ~8161=5 HG LEU 42 - HA GLU 81 lone 3 57 - 5 - ~10742=4 Peak 9971 from cnoeabs.peaks (7.53, 2.98, 66.39 ppm; 4.57 A): 3 out of 3 assignments used, quality = 0.86: H ILE 91 + HA VAL 82 OK 66 99 - 67 - 9973/2.4=40, ~9976=16...(10) H TRP 88 + HA VAL 82 OK 55 81 - 67 - ~8931=20, 4.6/9972=19...(10) H LEU 95 + HA VAL 82 OK 12 77 - 15 - 8833/4.9=7, 3.9/2476=4 Peak 9972 from cnoeabs.peaks (8.12, 2.98, 66.39 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.91: H LEU 87 + HA VAL 82 OK 88 100 - 88 - 8877/2.4=44, 8876/3.2=32...(17) H TYR 115 + HA VAL 82 OK 30 98 - 30 - 8829/2.4=11, 8831/3.2=9...(7) Peak 9973 from cnoeabs.peaks (7.52, -1.12, 18.38 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.63: H ILE 91 + QG1 VAL 82 OK 63 81 - 77 - 4.5/11029=18, 11024=18...(13) Peak 9974 from cnoeabs.peaks (7.33, -1.12, 18.38 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.97: H GLU 81 + QG1 VAL 82 OK 91 98 - 93 - 3.4/6895=43, 8776/2.1=42...(17) H ARG 109 + QG1 VAL 82 OK 67 89 - 75 - 7289/8810=17...(21) QD PHE 43 - QG1 VAL 82 poor 9 62 - 14 - 10225/8810=3, 9977/2.1=3...(5) Peak 9975 from cnoeabs.peaks (7.20, -1.12, 18.38 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.89: HE3 TRP 88 + QG1 VAL 82 OK 77 99 - 78 - 2.5/9984=31, 4.3/9985=22...(13) H LYS 36 + QG1 VAL 82 OK 31 92 - 34 - 3.9/9998=13...(11) QD TYR 27 + QG1 VAL 82 OK 29 98 - 29 - 10000/2.1=8, ~4791=4...(12) Peak 9976 from cnoeabs.peaks (7.75, -1.12, 18.38 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.77: H GLU 90 + QG1 VAL 82 OK 77 100 - 77 - 3.5/9973=44, ~9971=11...(15) Peak 9977 from cnoeabs.peaks (7.33, 0.42, 24.59 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.97: H GLU 81 + QG2 VAL 82 OK 93 98 - 95 - 8776=42, 3.4/6896=37...(26) H ARG 109 + QG2 VAL 82 OK 53 89 - 59 - 4.4/8800=17, 9974/2.1=11...(16) QD PHE 43 - QG2 VAL 82 poor 9 62 - 14 - 10557/8799=5...(5) Peak 9978 from cnoeabs.peaks (8.00, 0.42, 24.59 ppm; 4.54 A): 5 out of 6 assignments used, quality = 0.95: H VAL 73 + QG2 VAL 82 OK 89 92 - 97 - 10001=48, 3.0/8583=40...(20) H ALA 104 + QG2 VAL 82 OK 19 96 - 20 - 2.9/11566=7, 2179/8594=2...(5) H ARG 140 + QG2 VAL 82 OK 18 81 - 22 - 3.6/8822=5, 7822/4.4=3...(6) H ARG 145 + QG2 VAL 82 OK 15 100 - 15 - 4.3/8801=5, 4.3/11010=2...(4) H THR 51 + QG2 VAL 82 OK 12 89 - 14 - 8222/2.1=9, 8220/11567=1 H GLN 47 - QG2 VAL 82 lone 6 68 - 9 - 2157/8583=1, 2173/8585=1 Peak 9979 from cnoeabs.peaks (8.34, 0.42, 24.59 ppm; 4.36 A): 0 out of 2 assignments used, low quality = 0.40: H GLY 78 - QG2 VAL 82 OK 40 98 - 41 - 8561/8585=17...(9) H ASP 13 - QG2 VAL 82 lone 6 100 - 6 - 8561/8585=1 Peak 9980 from cnoeabs.peaks (8.56, 0.42, 24.59 ppm; 5.17 A): 2 out of 3 assignments used, quality = 0.97: H LYS 85 + QG2 VAL 82 OK 91 100 - 91 - 10037/2.1=39...(21) H LEU 72 + QG2 VAL 82 OK 71 92 - 77 - 3.0/10001=40...(17) H ASP 40 - QG2 VAL 82 OK 31 72 - 42 - 3.6/9987=12, 9982/2.1=5...(14) Peak 9981 from cnoeabs.peaks (8.88, 0.42, 24.59 ppm; 6.02 A): 1 out of 2 assignments used, quality = 0.96: H ASN 84 + QG2 VAL 82 OK 96 96 - 99 - 3.2/6908=47, ~6907=38...(30) H LYS 34 - QG2 VAL 82 OK 28 81 - 34 - 6915/4.4=10, 6898/3.2=8...(8) Peak 9982 from cnoeabs.peaks (8.56, -1.12, 18.38 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.98: H LYS 85 + QG1 VAL 82 OK 93 100 - 93 - 10037=47, 4.7/8871=29...(16) H LEU 72 + QG1 VAL 82 OK 69 92 - 75 - ~10001=25, ~9978=14...(17) H ASP 40 - QG1 VAL 82 OK 24 72 - 34 - 9980/2.1=6, 2475/2.4=5...(14) Peak 9984 from cnoeabs.peaks (6.52, -1.12, 18.38 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.70: HZ3 TRP 88 + QG1 VAL 82 OK 70 89 - 79 - 2.4/9985=35, 2.5/9975=22...(10) Peak 9985 from cnoeabs.peaks (6.43, -1.12, 18.38 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.85: HH2 TRP 88 + QG1 VAL 82 OK 85 100 - 86 - 2.4/9984=37, 2.5/8828=30...(11) Peak 9986 from cnoeabs.peaks (3.11, -1.12, 18.38 ppm; 4.21 A): 7 out of 8 assignments used, quality = 0.94: HA LEU 79 + QG1 VAL 82 OK 62 85 - 73 - 8794=27, 10006/2.1=16...(13) HD2 ARG 109 + QG1 VAL 82 OK 55 100 - 55 - 3.0/8807=8, 5.7/9974=6...(21) HA ALA 105 + QG1 VAL 82 OK 26 98 - 26 - 9263/8810=9...(8) HD3 ARG 145 + QG1 VAL 82 OK 21 100 - 21 - 2478/2.1=2, ~2478=2...(9) HD2 ARG 145 + QG1 VAL 82 OK 21 100 - 21 - ~2478=2, 2478/2.1=2...(10) HB3 PHE 106 + QG1 VAL 82 OK 20 89 - 22 - 3.0/8825=7, ~3428=2...(7) HB3 ASN 96 + QG1 VAL 82 OK 12 100 - 12 - 8570/10653=2...(5) HB3 HIS 10 - QG1 VAL 82 lone 1 68 - 2 - Peak 9987 from cnoeabs.peaks (3.14, 0.42, 24.59 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.85: HA VAL 80 + QG2 VAL 82 OK 68 96 - 70 - 10006=22, 3.6/8776=20...(12) HA LEU 39 + QG2 VAL 82 OK 36 100 - 36 - 8804=7, 6886/3.2=4...(15) HB2 TYR 70 + QG2 VAL 82 OK 15 94 - 16 - 3.6/11597=6, 10006=3, 2478/2.1=2 HB2 TRP 17 + QG2 VAL 82 OK 11 72 - 15 - 8805/2.1=14, 8152/8813=1 Peak 9988 from cnoeabs.peaks (-1.13, 3.67, 64.81 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.92: QG1 VAL 82 + HA ILE 83 OK 92 96 - 96 - 8824=41, 6907/2.9=34...(23) Peak 9989 from cnoeabs.peaks (-1.13, 0.85, 16.44 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.76: QG1 VAL 82 + QG2 ILE 83 OK 76 85 - 89 - 9988/3.2=30...(25) Peak 9990 from cnoeabs.peaks (-1.13, 1.30, 27.66 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 82 + HG12 ILE 83 OK 95 96 - 98 - 10020/2.1=50...(23) Peak 9991 from cnoeabs.peaks (-1.12, 1.91, 27.66 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.92: QG1 VAL 82 + HG13 ILE 83 OK 92 99 - 93 - 10020/2.1=42...(17) QG1 VAL 82 - HG3 PRO 12 poor 6 34 - 19 - 4.4/6913=3, 8806=3...(10) Peak 9992 from cnoeabs.peaks (1.38, 3.67, 64.81 ppm; 4.24 A): 4 out of 7 assignments used, quality = 0.96: HB VAL 82 + HA ILE 83 OK 74 81 - 91 - 2.1/9988=37, ~6907=21...(17) HB3 LEU 39 + HA ILE 83 OK 52 96 - 54 - 10660/3.2=9, 3.2/2503=7...(21) HG LEU 132 + HA ILE 83 OK 46 98 - 47 - 10660/3.2=10...(16) HG2 ARG 49 + HA ILE 83 OK 44 99 - 45 - 3.0/10012=11...(18) HG2 LYS 86 - HA ILE 83 OK 44 92 - 48 - 4.9/10048=11...(15) HB2 ARG 109 - HA ILE 83 OK 38 100 - 38 - 9273/4.2=8, 3.6/10035=7...(10) HB2 LEU 69 - HA ILE 83 OK 33 100 - 33 - 4.6/10774=12...(9) Peak 9993 from cnoeabs.peaks (1.51, 3.67, 64.81 ppm; 4.56 A): 7 out of 9 assignments used, quality = 0.91: QB ALA 135 + HA ILE 83 OK 57 89 - 65 - 10452/3.6=19...(11) HG3 LYS 85 + HA ILE 83 OK 40 96 - 42 - 10015/3.0=8, 1.8/2501=7...(9) HG3 LYS 76 + HA ILE 83 OK 25 72 - 35 - 10015/3.0=6, 10017/3.2=5...(12) HG3 PRO 57 + HA ILE 83 OK 22 99 - 22 - 10015/3.0=5, ~10659=4...(8) HG2 LYS 93 + HA ILE 83 OK 17 72 - 24 - 1.8/9041=4, 10017/3.2=4...(9) HB2 LEU 29 + HA ILE 83 OK 13 85 - 16 - 2.9/10011=3, 10017/3.2=2...(6) HB2 LYS 123 + HA ILE 83 OK 13 100 - 13 - 10015/3.0=2, ~6903=2...(5) HG2 LYS 34 - HA ILE 83 poor 10 62 - 15 - 5.0/2504=7, 515/3.6=4...(4) HB2 GLU 122 - HA ILE 83 lone 10 98 - 10 - 4.0/11148=2...(4) Peak 9994 from cnoeabs.peaks (1.52, 1.75, 38.66 ppm; 4.20 A): 4 out of 9 assignments used, quality = 0.95: QB ALA 135 + HB ILE 83 OK 73 100 - 73 - 10317/3.2=17, 9643=16...(16) HG3 LYS 85 + HB ILE 83 OK 49 100 - 49 - 10017/2.1=9, 10015=8...(14) HG3 LYS 76 + HB ILE 83 OK 41 96 - 42 - 10017/2.1=7, 10015=6...(14) HD2 LYS 76 + HB ILE 83 OK 39 85 - 46 - 9998/2.1=7, ~11136=7...(18) HG3 PRO 57 - HB ILE 83 OK 32 100 - 32 - 10015=6, 10014/3.0=6...(11) HG2 LYS 93 - HB ILE 83 OK 24 96 - 25 - 9998/2.1=4, 10002/3.2=3...(8) HB2 LEU 29 - HB ILE 83 OK 17 100 - 17 - 10017/2.1=3, 10015=2...(8) HB2 LYS 123 - HB ILE 83 OK 16 98 - 16 - 10014/3.0=4, 10015=3...(6) HB2 GLU 122 - HB ILE 83 lone 4 77 - 6 - 9993/3.0=1 Peak 9996 from cnoeabs.peaks (0.79, 1.75, 38.66 ppm; 4.14 A): 3 out of 4 assignments used, quality = 0.85: QG1 VAL 80 + HB ILE 83 OK 68 100 - 68 - 3.2/2412=15, 9964/4.7=11...(19) QD1 LEU 79 + HB ILE 83 OK 46 72 - 64 - 2.1/2510=9, ~2518=7...(24) QG2 THR 74 + HB ILE 83 OK 11 81 - 13 - ~11041=4, 4.3/11680=2, ~10658=2 QD2 LEU 126 - HB ILE 83 lone 9 99 - 9 - 2408/2412=2, 9964/4.7=1 Peak 9997 from cnoeabs.peaks (0.57, 1.75, 38.66 ppm; 4.56 A): 3 out of 5 assignments used, quality = 0.98: QD1 LEU 66 + HB ILE 83 OK 82 100 - 82 - 10004/3.2=13...(32) QG2 ILE 58 + HB ILE 83 OK 78 99 - 79 - 10024/3.2=41, 10016=17...(18) QD1 LEU 132 + HB ILE 83 OK 57 72 - 79 - ~10018=22, ~9999=19...(29) QD1 ILE 58 - HB ILE 83 OK 36 57 - 62 - ~10024=18, 3.1/10016=14...(17) QG1 VAL 71 - HB ILE 83 OK 18 92 - 20 - 10004/3.2=4, 8514/3.0=2...(7) Peak 9998 from cnoeabs.peaks (1.53, 0.85, 16.44 ppm; 2.88 A): 6 out of 8 assignments used, quality = 0.77: QB ALA 135 + QG2 ILE 83 OK 39 99 - 39 - 10317/3.1=9, 9643/2.1=8...(12) HD2 LYS 76 + QG2 ILE 83 OK 23 99 - 23 - 10002/3.1=3, 1.8/10660=3...(9) HG3 LYS 85 + QG2 ILE 83 OK 21 94 - 22 - 1.8/2518=4, 2619/3.2=3...(9) HG3 LYS 76 + QG2 ILE 83 OK 18 100 - 18 - 10002/3.1=3, 3.0/10660=2...(7) HG3 PRO 57 + QG2 ILE 83 OK 14 89 - 16 - 2.3/10659=4, 10014/3.2=2...(6) HG2 LYS 93 + QG2 ILE 83 OK 13 100 - 13 - 10002/3.1=2, 9994/2.1=1...(4) HB2 LEU 29 - QG2 ILE 83 lone 7 100 - 7 - HB2 LYS 123 - QG2 ILE 83 lone 6 81 - 7 - 10014/3.2=1, 10002/3.1=1 Peak 9999 from cnoeabs.peaks (0.40, 0.67, 15.13 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.72: QD2 LEU 132 + QD1 ILE 83 OK 68 96 - 71 - 2.1/10004=16...(31) HG3 LYS 123 + QD1 ILE 83 OK 12 77 - 15 - 4.8/10027=2, 3.0/10002=2...(5) Peak 10000 from cnoeabs.peaks (0.11, 0.67, 15.13 ppm; 5.79 A): 1 out of 1 assignment used, quality = 0.58: QG1 VAL 73 + QD1 ILE 83 OK 58 98 - 59 - 10653/10020=19...(13) Peak 10001 from cnoeabs.peaks (-1.13, 0.67, 15.13 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.79: QG1 VAL 82 + QD1 ILE 83 OK 79 89 - 89 - 9989/3.1=34, 9988/4.2=28...(21) Peak 10002 from cnoeabs.peaks (1.52, 0.67, 15.13 ppm; 3.10 A): 7 out of 8 assignments used, quality = 0.90: QB ALA 135 + QD1 ILE 83 OK 57 100 - 58 - 10317=20, 10017/3.1=7...(18) HD2 LYS 76 + QD1 ILE 83 OK 29 96 - 31 - 10022=7, ~11136=4...(10) HG3 LYS 76 + QD1 ILE 83 OK 29 100 - 30 - 10092/9999=4...(9) HG3 LYS 85 + QD1 ILE 83 OK 26 98 - 26 - 2619/2.1=5, 10017/3.1=5...(10) HG2 LYS 93 + QD1 ILE 83 OK 17 100 - 17 - 10022=4, 9998/3.1=2...(6) HG3 PRO 57 + QD1 ILE 83 OK 14 94 - 15 - 9998/3.1=2, 10014/4.2=2...(6) HB2 LYS 123 + QD1 ILE 83 OK 11 89 - 13 - 3.0/9999=3, 4111/10018=2...(5) HB2 LEU 29 - QD1 ILE 83 lone 7 100 - 7 - 10017/3.1=2 Peak 10003 from cnoeabs.peaks (1.63, 0.67, 15.13 ppm; 3.58 A): 6 out of 7 assignments used, quality = 0.85: HB3 LEU 64 + QD1 ILE 83 OK 46 85 - 54 - 3.2/2541=8, ~10988=6...(23) HB2 LEU 87 + QD1 ILE 83 OK 30 81 - 37 - 3.0/2542=5, 8881/10020=3...(20) HG3 ARG 49 + QD1 ILE 83 OK 28 77 - 36 - 1.8/10005=7, ~11136=6...(15) HB3 LEU 26 + QD1 ILE 83 OK 22 89 - 25 - 3.1/10571=8, 3.2/10913=5...(6) HD2 LYS 24 + QD1 ILE 83 OK 17 100 - 17 - 11365/2.1=3, 3.0/2542=3...(5) HG3 LYS 34 + QD1 ILE 83 OK 15 100 - 15 - 5.0/2545=4, 4.0/10031=4...(4) HG3 ARG 144 - QD1 ILE 83 lone 2 85 - 3 - Peak 10004 from cnoeabs.peaks (0.58, 0.67, 15.13 ppm; 2.71 A): 4 out of 5 assignments used, quality = 0.80: QD1 LEU 132 + QD1 ILE 83 OK 46 98 - 47 - 2.1/10018=16...(16) QD1 LEU 66 + QD1 ILE 83 OK 45 96 - 47 - 1912=9, 2.1/2540=3...(21) QG2 ILE 58 + QD1 ILE 83 OK 24 99 - 24 - 8273/2.1=5, 1566/2.1=3...(11) QG1 VAL 71 + QD1 ILE 83 OK 13 100 - 13 - 10784/2.1=1, 2.1/10023=1 QD1 ILE 56 - QD1 ILE 83 lone 5 62 - 8 - Peak 10005 from cnoeabs.peaks (1.40, 0.67, 15.13 ppm; 3.49 A): 6 out of 8 assignments used, quality = 0.85: HG LEU 116 + QD1 ILE 83 OK 49 96 - 51 - 2.1/10021=14, 3881=7...(18) HG2 LYS 86 + QD1 ILE 83 OK 34 96 - 35 - 2705/2.1=5, 11043/3.1=5...(15) HG2 ARG 49 + QD1 ILE 83 OK 32 85 - 37 - 1.8/10003=6, ~11136=6...(15) HB2 ARG 35 + QD1 ILE 83 OK 17 92 - 18 - 11043/3.1=2, 1.8/2540=2 HG2 LYS 24 + QD1 ILE 83 OK 11 62 - 18 - 1.8/2542=3, 3.0/10003=3...(8) HB2 LEU 69 + QD1 ILE 83 OK 11 72 - 15 - 11043/3.1=2, 10760/2.1=2...(4) HD2 LYS 114 - QD1 ILE 83 lone 7 81 - 9 - 3.0/10028=2, 11043/3.1=1 HG2 LYS 36 - QD1 ILE 83 lone 4 62 - 6 - Peak 10006 from cnoeabs.peaks (2.80, 0.85, 16.44 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.66: HB3 ASN 139 + QG2 ILE 83 OK 57 96 - 60 - 1.8/9729=22...(9) HB3 ASP 41 + QG2 ILE 83 OK 20 100 - 20 - 3.8/10777=5, ~10018=3...(9) HB2 ASN 128 - QG2 ILE 83 lone 5 100 - 5 - 9524=1 Peak 10007 from cnoeabs.peaks (3.12, 0.85, 16.44 ppm; 4.09 A): 4 out of 8 assignments used, quality = 0.93: HD2 ARG 109 + QG2 ILE 83 OK 65 94 - 69 - 1.8/11060=22, ~10030=16...(15) HA LEU 79 + QG2 ILE 83 OK 57 99 - 57 - 10008/3.1=9, 2505/2.1=9...(16) HA VAL 80 + QG2 ILE 83 OK 38 62 - 60 - 10029/3.1=12, ~10028=10...(13) HB3 ASN 96 + QG2 ILE 83 OK 24 89 - 27 - 4.7/7159=4, 9078=4...(11) HD3 ARG 145 - QG2 ILE 83 OK 23 100 - 23 - 10029/3.1=3, ~10035=2...(10) HD2 ARG 145 - QG2 ILE 83 OK 23 99 - 23 - 10029/3.1=3, ~10029=2...(10) HB3 PHE 106 - QG2 ILE 83 OK 13 100 - 13 - 10029/3.1=2, 6900/3.9=2...(6) HA ALA 105 - QG2 ILE 83 poor 9 81 - 11 - 10035/3.2=2, 10008/3.1=2...(4) Peak 10008 from cnoeabs.peaks (3.11, 0.67, 15.13 ppm; 3.26 A): 5 out of 8 assignments used, quality = 0.81: HD2 ARG 109 + QD1 ILE 83 OK 49 100 - 49 - 1.8/10030=21, ~11060=7...(14) HA LEU 79 + QD1 ILE 83 OK 43 81 - 53 - 3.6/10028=9, 3.0/10022=7...(20) HB3 ASN 96 + QD1 ILE 83 OK 14 100 - 14 - 9078/3.1=3, ~9084=2...(5) HD2 ARG 145 + QD1 ILE 83 OK 14 100 - 14 - 3582/10030=2...(4) HD3 ARG 145 + QD1 ILE 83 OK 13 99 - 13 - 3582/10030=2...(4) HA ALA 105 - QD1 ILE 83 poor 10 99 - 10 - 10202/10030=2...(4) HB3 PHE 106 - QD1 ILE 83 lone 6 85 - 7 - HB3 HIS 10 - QD1 ILE 83 lone 3 72 - 4 - 4.0/10779=3 Peak 10009 from cnoeabs.peaks (3.30, 0.67, 15.13 ppm; 4.03 A): 3 out of 4 assignments used, quality = 0.86: HD3 ARG 109 + QD1 ILE 83 OK 72 100 - 72 - 10030=35, 11060/3.1=17...(12) HB2 TRP 88 + QD1 ILE 83 OK 40 100 - 40 - 5.3/10024=16...(6) HD2 ARG 124 + QD1 ILE 83 OK 17 100 - 17 - 10030=3, 6.2/10027=2...(7) HB3 TRP 17 - QD1 ILE 83 lone 5 89 - 5 - 10034/4.2=3, 11138/2.1=1 Peak 10010 from cnoeabs.peaks (4.08, 0.67, 15.13 ppm; 5.57 A): 3 out of 7 assignments used, quality = 0.94: HA LEU 132 + QD1 ILE 83 OK 78 100 - 78 - 3.8/10018=43...(20) HA LYS 34 + QD1 ILE 83 OK 51 96 - 52 - 3.0/2545=15, ~10022=9...(11) HA LEU 26 + QD1 ILE 83 OK 42 89 - 47 - 3.8/10571=12...(15) HD3 PRO 118 - QD1 ILE 83 OK 16 62 - 26 - 4.8/7452=5, 4503/10018=3...(9) HA GLU 90 - QD1 ILE 83 OK 12 100 - 12 - 4503/10018=3...(4) HA VAL 53 - QD1 ILE 83 OK 12 100 - 12 - 4503/10018=4, 4511/10004=2 HD3 PRO 33 - QD1 ILE 83 lone 5 68 - 8 - 6162/2545=3, 441/2545=2 Peak 10011 from cnoeabs.peaks (3.95, 3.67, 64.81 ppm; 4.23 A): 0 out of 9 assignments used, low quality = 0.38: HA LYS 86 - HA ILE 83 OK 25 62 - 40 - 3.0/10048=18, ~8869=5...(12) HA3 GLY 94 - HA ILE 83 OK 18 89 - 20 - 3.5/8833=12, 9087/9086=2...(4) HA PHE 106 - HA ILE 83 poor 9 81 - 11 - 8915/8914=2, 8825/9988=1...(4) HD3 PRO 129 - HA ILE 83 lone 9 98 - 9 - 9525/4.9=3, 6979/10048=1 HA LEU 29 - HA ILE 83 lone 9 96 - 9 - 2.9/10014=2, ~10015=1 HA LYS 48 - HA ILE 83 lone 8 96 - 8 - 10033=4, 8915/8914=1 HA ALA 60 - HA ILE 83 lone 5 89 - 6 - 8915/8914=1, ~8319=1 HA2 GLY 143 - HA ILE 83 lone 3 68 - 5 - 1.8/10033=3 HB3 SER 103 - HA ILE 83 lone 2 62 - 3 - Peak 10012 from cnoeabs.peaks (3.09, 3.67, 64.81 ppm; 5.57 A): 3 out of 4 assignments used, quality = 0.46: HD3 ARG 49 + HA ILE 83 OK 32 62 - 51 - 8917/8914=11...(13) HA TYR 119 + HA ILE 83 OK 12 81 - 15 - 8917/8914=4, ~9435=4 HA2 GLY 78 + HA ILE 83 OK 10 72 - 14 - 8917/8914=3, 8706/8819=2...(4) HB3 HIS 10 - HA ILE 83 lone 4 94 - 4 - Peak 10013 from cnoeabs.peaks (2.77, 0.67, 15.13 ppm; 6.42 A): 6 out of 7 assignments used, quality = 0.92: HB3 ASN 84 + QD1 ILE 83 OK 65 89 - 73 - 4.0/2545=30, ~8855=23...(7) HE3 LYS 76 + QD1 ILE 83 OK 37 85 - 44 - ~11136=13, 3.0/10022=8...(8) HE2 LYS 76 + QD1 ILE 83 OK 29 68 - 44 - ~11136=13, 3.0/10022=8...(8) HB2 ASP 41 + QD1 ILE 83 OK 25 100 - 25 - ~10006=10, ~10026=8, 4.5/10734=4 HB3 TYR 119 + QD1 ILE 83 OK 19 85 - 22 - 1.8/10711=7, 9435/3.1=6...(5) HE2 LYS 114 + QD1 ILE 83 OK 11 72 - 15 - ~10026=4, 3.0/10005=2...(6) HG3 GLN 111 - QD1 ILE 83 lone 4 92 - 5 - Peak 10014 from cnoeabs.peaks (4.26, 0.85, 16.44 ppm; 4.29 A): 3 out of 7 assignments used, quality = 0.93: HA ALA 135 + QG2 ILE 83 OK 72 100 - 72 - 4.9/11041=16...(19) HA LEU 95 + QG2 ILE 83 OK 56 77 - 73 - 9061/3.2=17...(19) HA SER 138 + QG2 ILE 83 OK 47 98 - 48 - 4.8/10363=14...(10) HA ARG 49 - QG2 ILE 83 OK 26 72 - 36 - ~11136=7, 3.0/10660=6...(12) HA2 GLY 50 - QG2 ILE 83 OK 10 100 - 10 - 8230/8950=3, ~6474=1 HB THR 99 - QG2 ILE 83 lone 9 96 - 9 - 10162/9027=3 HA GLU 142 - QG2 ILE 83 lone 3 81 - 3 - Peak 10015 from cnoeabs.peaks (4.64, 0.85, 16.44 ppm; 6.02 A): 2 out of 5 assignments used, quality = 0.95: HA ASN 139 + QG2 ILE 83 OK 88 98 - 90 - 3.0/10006=35, 10363=34...(18) HA LEU 87 + QG2 ILE 83 OK 60 96 - 62 - 10056/9989=17...(17) HA GLN 111 - QG2 ILE 83 OK 22 100 - 22 - 8827/10012=3...(8) HA ASP 32 - QG2 ILE 83 OK 20 100 - 20 - ~11168=9, 10798/2521=3...(4) HG1 THR 110 - QG2 ILE 83 lone 7 100 - 7 - ~10452=2, 8827/10012=1 Peak 10016 from cnoeabs.peaks (4.43, 0.85, 16.44 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.91: HA ASN 84 + QG2 ILE 83 OK 79 99 - 80 - 8855=25, 2.9/2521=23...(18) HA ILE 58 + QG2 ILE 83 OK 44 100 - 44 - ~10024=11, 10017/2.1=6...(15) HA ASP 40 + QG2 ILE 83 OK 21 98 - 21 - 3.6/10777=5, 6929/4.3=3...(7) Peak 10017 from cnoeabs.peaks (4.42, 1.75, 38.66 ppm; 5.51 A): 2 out of 4 assignments used, quality = 0.95: HA ASN 84 + HB ILE 83 OK 84 92 - 91 - 2.9/2513=33, 8855/2.1=28...(17) HA ILE 58 + HB ILE 83 OK 71 94 - 75 - ~10024=27, 3.2/10016=17...(15) HA ASP 40 - HB ILE 83 OK 33 100 - 33 - 5.0/2505=7, 10016/2.1=7...(8) HA PRO 33 - HB ILE 83 OK 12 62 - 19 - 3.6/2513=13, 449/4.7=5 Peak 10018 from cnoeabs.peaks (4.45, 3.67, 64.81 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.49: HA ASP 137 + HA ILE 83 OK 34 85 - 40 - 9705/3.2=20, 9703/3.0=8...(5) HA ASP 41 + HA ILE 83 OK 22 94 - 24 - ~10777=10, ~10006=6...(4) HA3 GLY 31 - HA ILE 83 lone 1 62 - 2 - Peak 10019 from cnoeabs.peaks (6.84, 0.67, 15.13 ppm; 4.00 A): 3 out of 3 assignments used, quality = 0.73: HZ2 TRP 88 + QD1 ILE 83 OK 64 77 - 82 - 2.8/10024=27...(19) HD22 ASN 54 + QD1 ILE 83 OK 17 100 - 17 - 10020/2.1=10, 8834/4.2=3 QD PHE 67 + QD1 ILE 83 OK 11 62 - 18 - 10782/3.1=4, 4.3/6652=3...(7) Peak 10020 from cnoeabs.peaks (6.84, 1.91, 27.66 ppm; 6.00 A): 0 out of 4 assignments used, low quality = 0.21: HD22 ASN 54 - HG13 ILE 83 OK 21 99 - 21 - 10019/2.1=8, 8834/3.8=5...(4) HE21 GLN 62 - HG13 ILE 83 lone 4 62 - 6 - 9112/2533=2 HE21 GLN 62 - HG3 PRO 12 poor 3 17 - 15 - ~6603=3, 5.8/1750=2...(7) HD22 ASN 54 - HG3 PRO 12 lone 1 34 - 3 - Peak 10021 from cnoeabs.peaks (7.91, 1.30, 27.66 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.98: H ILE 83 + HG12 ILE 83 OK 96 96 - 100 - 4.4=100 HD22 ASN 139 + HG12 ILE 83 OK 59 85 - 69 - ~8835=18, 2514/3.2=16...(11) Peak 10022 from cnoeabs.peaks (8.89, 1.30, 27.66 ppm; 6.29 A): 2 out of 2 assignments used, quality = 1.00: H ASN 84 + HG12 ILE 83 OK 99 100 - 99 - 2521/3.2=35, 2513/3.0=34...(25) H LYS 34 + HG12 ILE 83 OK 68 100 - 68 - 2545/2.1=16, 2513/3.0=15...(9) Peak 10023 from cnoeabs.peaks (9.55, 1.30, 27.66 ppm; 6.03 A): 1 out of 1 assignment used, quality = 0.79: HE1 TRP 88 + HG12 ILE 83 OK 79 81 - 97 - 8836/3.2=48...(18) Peak 10024 from cnoeabs.peaks (9.54, 0.67, 15.13 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.92: HE1 TRP 88 + QD1 ILE 83 OK 92 100 - 92 - 2.8/10039=29...(18) Peak 10026 from cnoeabs.peaks (7.34, 0.67, 15.13 ppm; 5.77 A): 3 out of 3 assignments used, quality = 0.94: H GLU 81 + QD1 ILE 83 OK 79 94 - 84 - 3.5/10028=33...(16) H ARG 109 + QD1 ILE 83 OK 64 94 - 68 - 5.7/10030=26...(14) QD PHE 43 + QD1 ILE 83 OK 14 72 - 19 - 4.3/11213=6, 3.1/11214=4...(5) Peak 10027 from cnoeabs.peaks (8.21, 0.67, 15.13 ppm; 6.30 A): 4 out of 5 assignments used, quality = 0.94: H ILE 136 + QD1 ILE 83 OK 82 96 - 85 - ~11041=24, 4.5/10021=23...(17) H ARG 124 + QD1 ILE 83 OK 39 100 - 39 - 7545/10018=8, 4.8/9999=6...(12) H THR 74 + QD1 ILE 83 OK 36 81 - 44 - 4.4/10000=34, ~11680=6...(5) H ARG 141 + QD1 ILE 83 OK 12 85 - 14 - 4.7/2543=3, ~7827=2...(4) H MET 11 - QD1 ILE 83 lone 6 100 - 5 - Peak 10028 from cnoeabs.peaks (8.49, 0.67, 15.13 ppm; 5.81 A): 1 out of 1 assignment used, quality = 0.91: H VAL 80 + QD1 ILE 83 OK 91 100 - 91 - 2.8/8742=27, 4.0/9984=21...(19) Peak 10029 from cnoeabs.peaks (7.53, 0.85, 16.44 ppm; 5.14 A): 3 out of 3 assignments used, quality = 0.94: H LEU 95 + QG2 ILE 83 OK 72 94 - 76 - ~9061=20, 8833/3.2=17...(15) H TRP 88 + QG2 ILE 83 OK 56 96 - 58 - 7.3/8836=17, 8833/3.2=11...(12) H ILE 91 + QG2 ILE 83 OK 55 100 - 56 - 2.9/10658=18...(14) Peak 10032 from cnoeabs.peaks (3.67, 4.43, 55.60 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 83 + HA ASN 84 OK 100 100 - 100 - 4.8=100 HA THR 92 - HA ASN 84 OK 22 77 - 28 - 9124/8855=9, 6923/2.9=9...(6) Peak 10033 from cnoeabs.peaks (4.02, 4.43, 55.60 ppm; 5.46 A): 5 out of 7 assignments used, quality = 0.94: HA GLU 81 + HA ASN 84 OK 63 99 - 64 - 2438/2.9=24, 2440/3.0=20...(6) HA VAL 63 + HA ASN 84 OK 55 92 - 60 - 6948/3.6=9, 8364=9...(15) HA GLU 37 + HA ASN 84 OK 34 100 - 34 - 2440/3.0=8, 2553/3.0=8...(5) HA LYS 123 + HA ASN 84 OK 29 100 - 29 - 2561/3.0=5, 2553/3.0=5...(7) HB THR 107 + HA ASN 84 OK 28 100 - 28 - ~9254=5, 2553/3.0=5...(6) HB3 SER 100 - HA ASN 84 OK 25 96 - 26 - 10166/4.5=7, 4.5/2551=6...(7) HB2 SER 103 - HA ASN 84 lone 5 96 - 5 - Peak 10034 from cnoeabs.peaks (1.52, 4.43, 55.60 ppm; 4.15 A): 4 out of 9 assignments used, quality = 0.92: QB ALA 135 + HA ASN 84 OK 67 99 - 68 - 9659/4.5=24...(12) HG3 LYS 85 + HA ASN 84 OK 56 100 - 56 - 2615/3.6=19, ~10044=15...(11) HG3 LYS 76 + HA ASN 84 OK 29 92 - 32 - 6962/3.6=4, 10044/3.0=4...(13) HD2 LYS 76 + HA ASN 84 OK 21 77 - 27 - 6962/3.6=3, 1.8/8854=3...(14) HB2 LYS 123 - HA ASN 84 OK 20 100 - 20 - 3.0/10033=2, 10014/4.8=2...(10) HG2 LYS 93 - HA ASN 84 OK 16 92 - 17 - 6962/3.6=5, 9042/4.8=2...(8) HB2 LEU 29 - HA ASN 84 OK 14 98 - 14 - ~10533=2, 10044/3.0=2...(7) HG3 PRO 57 - HA ASN 84 OK 13 100 - 13 - 10014/4.8=4, 6962/3.6=2...(4) HB2 GLU 122 - HA ASN 84 lone 4 85 - 4 - Peak 10038 from cnoeabs.peaks (0.71, 1.70, 31.43 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 87 + HB2 LYS 85 OK 92 99 - 93 - 10039/1.8=19...(28) QD1 LEU 87 + HB2 LYS 85 OK 92 98 - 94 - 10046=26, 10039/1.8=19...(26) Peak 10039 from cnoeabs.peaks (0.72, 1.86, 31.43 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.96: QD2 LEU 87 + HB3 LYS 85 OK 81 94 - 86 - 10038/1.8=15...(27) QD1 LEU 87 + HB3 LYS 85 OK 80 92 - 87 - 10046/1.8=16...(25) QD2 LEU 108 - HB3 LYS 85 OK 10 68 - 15 - 10036/3.9=3, 8815/2592=3...(5) Peak 10040 from cnoeabs.peaks (0.71, 1.32, 25.93 ppm; 2.96 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 87 + HG2 LYS 85 OK 70 100 - 70 - 10049/1.8=12...(26) QD1 LEU 87 + HG2 LYS 85 OK 70 100 - 70 - 10046/3.0=10...(23) Peak 10041 from cnoeabs.peaks (0.72, 1.52, 25.93 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.91: QD2 LEU 87 + HG3 LYS 85 OK 71 81 - 87 - 10048/1.8=22...(28) QD1 LEU 87 + HG3 LYS 85 OK 66 77 - 86 - 10040/1.8=16...(24) QD2 LEU 108 + HG3 LYS 85 OK 11 85 - 13 - 10036/5.1=3, 10039/3.0=2...(5) Peak 10042 from cnoeabs.peaks (2.16, 1.32, 25.93 ppm; 4.78 A): 3 out of 4 assignments used, quality = 0.53: HG LEU 29 + HG2 LYS 85 OK 41 100 - 41 - 10043/1.8=7, 11011/3.0=4...(14) HB3 GLN 133 + HG2 LYS 85 OK 11 72 - 15 - ~10043=3, 10043/1.8=3...(6) HB2 GLN 133 + HG2 LYS 85 OK 10 68 - 15 - ~10043=3, 10043/1.8=3...(6) HB2 GLN 25 - HG2 LYS 85 lone 2 89 - 2 - Peak 10043 from cnoeabs.peaks (2.15, 1.52, 25.93 ppm; 5.00 A): 4 out of 5 assignments used, quality = 0.95: HG2 GLU 81 + HG3 LYS 85 OK 85 94 - 90 - 8780/1.8=29, 8779=20...(25) HG LEU 29 + HG3 LYS 85 OK 46 85 - 53 - 10042/1.8=19...(16) HB3 GLN 133 + HG3 LYS 85 OK 22 100 - 22 - 10042/1.8=5, ~10042=5...(6) HB2 GLN 133 + HG3 LYS 85 OK 21 99 - 21 - ~10042=6, 10042/1.8=5...(6) HG3 PRO 118 - HG3 LYS 85 lone 4 85 - 4 - Peak 10044 from cnoeabs.peaks (8.88, 1.32, 25.93 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.71: H ASN 84 + HG2 LYS 85 OK 71 77 - 92 - 3.1/6961=43, ~2615=22...(20) H MET 113 - HG2 LYS 85 lone 3 81 - 4 - 10542/10177=1 Peak 10045 from cnoeabs.peaks (7.57, 1.32, 25.93 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.48: H LYS 86 + HG2 LYS 85 OK 48 62 - 78 - 3.6/2573=36, 4.7/6961=29...(13) HD21 ASN 54 - HG2 LYS 85 poor 7 62 - 12 - ~8864=4, 6967/5.1=2...(4) Peak 10046 from cnoeabs.peaks (7.55, 1.52, 25.93 ppm; 4.66 A): 3 out of 4 assignments used, quality = 0.88: H LYS 86 + HG3 LYS 85 OK 85 99 - 86 - 6973/1.8=41, 6967/5.1=25...(15) HD21 ASN 54 + HG3 LYS 85 OK 16 99 - 16 - 3.5/8864=6, 2579/4.0=4...(5) H LEU 95 + HG3 LYS 85 OK 10 72 - 14 - 3.9/2617=4, 4.7/7102=3...(4) H TRP 88 - HG3 LYS 85 lone 5 68 - 7 - 7013/10049=2, 7014/10049=2 Peak 10047 from cnoeabs.peaks (-1.14, 1.30, 26.06 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.78: QG1 VAL 82 + HG LEU 87 OK 72 72 - 99 - 10055/2.1=45...(22) QG1 VAL 82 + HG LEU 79 OK 21 31 - 69 - 8794/3.7=23, 9982/2.1=21...(17) Peak 10050 from cnoeabs.peaks (3.65, 3.93, 57.01 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.63: HD3 PRO 12 + HA LYS 86 OK 38 94 - 40 - 2.3/2672=8, 2.3/2672=5...(17) HA ILE 83 + HA LYS 86 OK 26 72 - 36 - ~8869=7, 3.8/2672=6...(12) HA THR 92 + HA LYS 86 OK 20 100 - 20 - 9003/3.0=9, 8824/10053=3...(4) Peak 10051 from cnoeabs.peaks (0.72, 1.57, 28.74 ppm; 3.47 A): 4 out of 6 assignments used, quality = 0.93: QD2 LEU 87 + HD2 LYS 85 OK 61 85 - 71 - 10048/3.0=15...(19) QD1 LEU 87 + HD2 LYS 85 OK 57 81 - 69 - 10040/3.0=12...(16) QD2 LEU 87 + HD3 LYS 85 OK 40 56 - 71 - 10048/3.0=15...(19) QD1 LEU 87 + HD3 LYS 85 OK 36 53 - 69 - 10040/3.0=12...(15) QD2 LEU 108 - HD2 LYS 85 poor 9 81 - 10 - 10036/5.7=2, 10041/3.0=2...(4) QD2 LEU 108 - HD3 LYS 85 lone 5 53 - 10 - 10036/5.7=2, 10041/3.0=2...(4) Peak 10052 from cnoeabs.peaks (0.72, 2.95, 41.80 ppm; 3.96 A): 4 out of 18 assignments used, quality = 0.99: QD2 LEU 87 + HE2 LYS 85 OK 75 94 - 79 - 10048/3.5=17...(18) QD1 LEU 87 + HE2 LYS 85 OK 73 92 - 80 - 10051/2.9=17...(17) QD2 LEU 87 + HE3 LYS 85 OK 68 83 - 81 - 10048/3.5=17...(18) QD1 LEU 87 + HE3 LYS 85 OK 64 80 - 80 - 10051/2.9=17...(16) QD2 LEU 87 - HE3 LYS 48 OK 29 93 - 31 - 10771/3.6=7, ~8895=4...(9) QD1 LEU 87 - HE3 LYS 48 OK 28 90 - 31 - 8895/1.8=6, 11145/3.6=5...(8) QD1 LEU 87 - HE2 LYS 48 OK 27 90 - 29 - 11145/3.6=5, 10091/4.9=5...(8) QD2 LEU 87 - HE2 LYS 48 OK 26 93 - 28 - 10771/3.6=7, 2803/3.6=3...(8) QD1 LEU 87 - HE2 LYS 93 OK 20 91 - 22 - 8660/3.8=6, 10064/5.9=3...(6) QD2 LEU 87 - HE2 LYS 93 OK 19 94 - 20 - 8897/5.1=4, 8904/5.9=2...(8) QD1 LEU 87 - HE3 LYS 93 OK 12 55 - 23 - 8660/3.8=6, 8895/1.8=4...(5) QD2 LEU 87 - HE3 LYS 93 OK 12 57 - 21 - 8897/5.1=4, ~8895=3...(7) QD2 LEU 108 - HE2 LYS 85 lone 7 68 - 10 - 10041/3.5=2, 10051/2.9=1...(4) QD2 LEU 108 - HE3 LYS 85 lone 5 57 - 10 - 10041/3.5=2, 10051/2.9=1...(4) QD2 LEU 108 - HE2 LYS 48 lone 5 66 - 7 - 3501/7.0=2, 3505/3.6=1 QD2 LEU 108 - HE3 LYS 48 lone 5 66 - 7 - 3501/7.0=2, 3505/3.6=1 QD2 LEU 108 - HE2 LYS 93 lone 3 67 - 5 - 8660/3.8=1 QD2 LEU 108 - HE3 LYS 93 lone 2 37 - 4 - 8660/3.8=1 Peak 10053 from cnoeabs.peaks (-1.12, 3.93, 57.01 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.80: QG1 VAL 82 + HA LYS 86 OK 80 96 - 83 - 8877/3.6=44, 8871/3.0=39...(16) Peak 10054 from cnoeabs.peaks (6.77, 2.18, 28.31 ppm; 4.94 A): 0 out of 2 assignments used, low quality = 0.33: HZ3 TRP 17 - HB3 LYS 86 OK 33 99 - 34 - 4686=30, 5.9/8038=4 QE TYR 112 - HB3 LYS 86 lone 1 68 - 1 - Peak 10055 from cnoeabs.peaks (-1.13, 0.71, 22.21 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.82: QG1 VAL 82 + QD2 LEU 87 OK 82 85 - 96 - 8883/2.1=35, ~8798=25...(27) Peak 10056 from cnoeabs.peaks (0.42, 1.30, 26.06 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 82 + HG LEU 87 OK 100 100 - 100 - 8798/2.1=50, 8878/3.0=34...(31) QG2 VAL 82 - HG LEU 79 OK 36 51 - 71 - ~9941=16, ~9982=15...(20) Peak 10058 from cnoeabs.peaks (7.19, 4.17, 60.43 ppm; 3.60 A): 5 out of 9 assignments used, quality = 0.78: HE3 TRP 88 + HA TRP 88 OK 53 96 - 55 - 5.1=36, 7019/3.0=14...(9) QD TYR 27 + HA TRP 88 OK 26 94 - 27 - 7019/3.0=6, 11014/3.0=5...(10) H LYS 36 + HA PHE 38 OK 22 64 - 35 - 6235/2.9=22, ~6236=6...(4) H LYS 36 + HA TRP 88 OK 11 96 - 11 - 8997/8929=2, 9975/8931=1...(4) HE3 TRP 88 + HA PHE 38 OK 10 64 - 16 - 6235/2.9=3, 4.2/2830=2...(5) HE3 TRP 88 - HA GLU 120 poor 6 54 - 10 - 10303/4.9=2, 11061=2...(4) QD TYR 27 - HA PHE 38 lone 3 62 - 5 - 6235/2.9=1 QD TYR 27 - HA GLU 120 lone 2 52 - 3 - 10303/4.9=1 H LYS 36 - HA GLU 120 lone 1 54 - 3 - 6235/6243=1 Peak 10059 from cnoeabs.peaks (7.19, 3.07, 29.09 ppm; 5.90 A): 2 out of 3 assignments used, quality = 0.98: HE3 TRP 88 + HB3 TRP 88 OK 96 96 - 100 - 4.2=100 QD TYR 27 + HB3 TRP 88 OK 55 94 - 58 - 11013/1.8=22...(13) H LYS 36 - HB3 TRP 88 OK 15 96 - 15 - 10058/3.0=4, 11013/1.8=4...(4) Peak 10060 from cnoeabs.peaks (4.23, 0.71, 25.72 ppm; 4.44 A): 2 out of 7 assignments used, quality = 0.96: HA LYS 85 + QD1 LEU 87 OK 93 99 - 95 - 10064=28, 8904/2.1=26...(21) HA LYS 93 + QD1 LEU 87 OK 43 85 - 51 - 10064=12, 8904/2.1=7...(18) HA ILE 101 - QD1 LEU 87 OK 27 62 - 43 - 3.8/2812=10, ~10133=10...(11) HB THR 102 - QD1 LEU 87 OK 15 98 - 15 - 10064=4, 8904/2.1=3...(4) HA PHE 45 - QD1 LEU 87 OK 13 85 - 15 - 3.6/8907=5, 10064=3, 8904/2.1=1 HA THR 102 - QD1 LEU 87 OK 11 72 - 15 - 3.0/10064=3, ~7199=2...(4) HA ARG 141 - QD1 LEU 87 lone 8 85 - 10 - 10064=2, 8904/2.1=2 Peak 10061 from cnoeabs.peaks (1.73, 0.71, 25.72 ppm; 3.57 A): 5 out of 9 assignments used, quality = 0.93: HB2 GLU 81 + QD1 LEU 87 OK 66 98 - 67 - 10065=14, 3.0/8781=12...(16) HB3 GLU 81 + QD1 LEU 87 OK 63 94 - 67 - 10065=13, 3.0/8781=12...(17) HB3 ARG 144 + QD1 LEU 87 OK 20 99 - 20 - 10065=4, 1.8/8891=2...(5) HB2 ARG 49 + QD1 LEU 87 OK 19 94 - 20 - 10065=4, 3.0/2811=2...(5) HB3 ARG 109 + QD1 LEU 87 OK 11 77 - 14 - 4.0/11402=3, 2.8/8890=3, 10065=2 HD2 LYS 36 - QD1 LEU 87 lone 10 100 - 10 - 10065=2, 8783/8882=2 HG LEU 66 - QD1 LEU 87 lone 7 85 - 8 - 4.8/11401=2, 2.9/11145=2 HG3 ARG 89 - QD1 LEU 87 lone 3 89 - 3 - 7035/8954=1 HG3 ARG 140 - QD1 LEU 87 lone 2 96 - 2 - Peak 10062 from cnoeabs.peaks (0.32, 0.71, 25.72 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 91 + QD1 LEU 87 OK 73 98 - 75 - 10066=19, 11029/8883=17...(23) QD2 LEU 42 + QD1 LEU 87 OK 30 85 - 35 - ~10950=7, 8812/8883=6...(9) Peak 10063 from cnoeabs.peaks (1.05, 4.17, 60.43 ppm; 4.39 A): 2 out of 15 assignments used, quality = 0.94: HG13 ILE 91 + HA TRP 88 OK 92 100 - 93 - 8929=32, 1.8/10067=26...(20) HG13 ILE 91 + HA PHE 38 OK 27 69 - 39 - 10759/3.6=8, 8989=7...(11) HG3 LYS 114 - HA TRP 88 OK 23 92 - 25 - 8929=4, 8809/8931=3...(10) QG2 VAL 53 - HA TRP 88 OK 18 89 - 20 - 2.1/10239=3, 2967/8976=2...(9) HB2 LEU 116 - HA TRP 88 OK 16 89 - 18 - 8929=5, 2975/10067=2...(5) HB2 LEU 116 - HA PHE 38 OK 13 57 - 23 - 10722/4.7=10...(4) HG13 ILE 91 - HA GLU 120 OK 11 59 - 19 - 1.8/4013=4, 8989=3...(6) HG3 LYS 114 - HA PHE 38 poor 10 60 - 16 - 10759/3.6=5, ~9786=1...(4) QG2 VAL 53 - HA PHE 38 poor 7 57 - 12 - 10759/3.6=5, 8240/4.9=3 HB2 LEU 116 - HA GLU 120 poor 7 48 - 14 - ~9437=10, 9419/9424=2 QG2 VAL 53 - HA GLU 120 lone 3 48 - 6 - 8241/3.0=2 HG3 LYS 114 - HA GLU 120 lone 3 50 - 5 - 2.9/4013=1 QG2 THR 110 - HA TRP 88 lone 3 68 - 4 - 10175/9266=1 QG2 THR 110 - HA PHE 38 lone 1 40 - 2 - QG2 THR 110 - HA GLU 120 lone 1 34 - 2 - Peak 10065 from cnoeabs.peaks (6.43, 6.53, 121.14 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: HH2 TRP 88 + HZ3 TRP 88 OK 100 100 - 100 - 2.4=100 Peak 10067 from cnoeabs.peaks (0.67, 6.83, 113.40 ppm; 5.12 A): 2 out of 4 assignments used, quality = 0.94: QD1 ILE 83 + HZ2 TRP 88 OK 92 95 - 97 - 10024/2.8=39, 10039=38...(23) QD2 LEU 66 + HZ2 TRP 88 OK 33 99 - 33 - 11045/10188=6...(15) HB3 LEU 116 - HZ2 TRP 88 OK 33 83 - 39 - 3.2/10222=11, 8924/2.8=8...(9) QD2 LEU 39 - HZ2 TRP 88 OK 25 99 - 25 - 2520/10782=3, 8128/7.8=2...(13) Peak 10068 from cnoeabs.peaks (7.62, 4.29, 59.11 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.89: H LYS 93 + HA ARG 89 OK 87 100 - 87 - 7079=40, 3.2/7064=30...(16) H VAL 82 + HA ARG 89 OK 19 85 - 23 - 2914/4.9=4, 3004/2858=3...(8) H GLU 122 - HA ARG 89 poor 9 62 - 13 - 4.7/10241=3, 4.7/10240=3...(4) Peak 10069 from cnoeabs.peaks (7.55, 4.29, 59.11 ppm; 4.79 A): 0 out of 3 assignments used, low quality = 0.00: H LYS 86 - HA ARG 89 lone 9 100 - 9 - 8869/8948=2, 4.6/2853=1 H LEU 95 - HA ARG 89 poor 8 62 - 13 - 7029/3.5=3, 9058/8947=2...(4) HD21 ASN 54 - HA ARG 89 lone 1 100 - 1 - Peak 10071 from cnoeabs.peaks (2.75, 2.03, 28.78 ppm; 4.26 A): 2 out of 9 assignments used, quality = 0.97: HG3 MET 113 + HB2 GLU 90 OK 95 99 - 96 - 3718/3.0=15, 1.8/2922=15...(48) HE2 LYS 76 + HB2 GLU 90 OK 49 98 - 50 - 10073/3.0=10, ~10073=10...(14) HE3 LYS 76 - HB2 GLU 90 OK 44 89 - 49 - 10073/3.0=12, ~10073=9...(14) HE2 LYS 114 - HB2 GLU 90 OK 12 96 - 13 - 10073/3.0=4...(4) HB3 ASP 40 - HB2 GLU 90 lone 5 100 - 5 - HB3 ASP 137 - HB2 GLU 90 lone 4 94 - 4 - 10073/3.0=1 HB2 ASN 54 - HB2 GLU 90 lone 4 100 - 3 - 10446=1 HB3 PHE 43 - HB2 GLU 90 lone 3 94 - 3 - HB2 ASN 96 - HB2 GLU 90 lone 1 62 - 2 - Peak 10072 from cnoeabs.peaks (2.76, 2.27, 36.00 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.65: HE3 LYS 76 + HG2 GLU 90 OK 43 99 - 44 - 10072/3.0=7, 10210/1.8=5...(13) HE2 LYS 76 + HG2 GLU 90 OK 39 92 - 42 - 10072/3.0=7, ~10072=5...(13) HE2 LYS 114 - HG2 GLU 90 lone 9 94 - 10 - 7.0/7399=2, 10072/3.0=1 HG3 GLN 111 - HG2 GLU 90 lone 6 68 - 8 - 3.0/2934=1 HB3 ASP 40 - HG2 GLU 90 lone 2 77 - 3 - HB2 ASP 41 - HG2 GLU 90 lone 2 96 - 2 - HB2 ASN 54 - HG2 GLU 90 lone 1 57 - 2 - HB3 ASN 84 - HG2 GLU 90 lone 1 62 - 1 - Peak 10076 from cnoeabs.peaks (0.72, 2.03, 28.78 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.91: QD2 LEU 87 + HB2 GLU 90 OK 72 89 - 81 - 8898=28, 9807/3.0=19...(20) QD1 LEU 87 + HB2 GLU 90 OK 67 85 - 78 - 2.1/8898=28, 9807/3.0=12...(22) QD2 LEU 108 - HB2 GLU 90 poor 10 77 - 13 - 8954/3.9=5, ~8957=2...(4) Peak 10077 from cnoeabs.peaks (0.32, 2.03, 28.78 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.77: QD1 ILE 91 + HB2 GLU 90 OK 77 100 - 77 - 7059/4.7=31, 9808/3.0=23...(12) QD2 LEU 42 - HB2 GLU 90 poor 8 68 - 12 - 7059/4.7=7...(3) Peak 10079 from cnoeabs.peaks (7.21, 1.42, 27.10 ppm; 5.01 A): 4 out of 5 assignments used, quality = 0.95: HE3 TRP 88 + HG12 ILE 91 OK 71 81 - 87 - ~8999=25, ~8995=25...(13) H GLU 37 + HG12 ILE 91 OK 65 99 - 66 - 8998/3.2=24, 8993/2.1=11...(16) QD TYR 27 + HG12 ILE 91 OK 34 85 - 40 - 8997/1.8=12, 2.6/10641=6...(11) QD PHE 45 + HG12 ILE 91 OK 30 85 - 35 - 8998/3.2=12, 9000/4.4=8...(9) HE3 TRP 17 - HG12 ILE 91 lone 9 96 - 9 - 8998/3.2=2, 9000/4.4=1...(4) Peak 10080 from cnoeabs.peaks (6.43, 0.93, 18.02 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.71: HH2 TRP 88 + QG2 ILE 91 OK 71 100 - 71 - 2.4/8999=44, ~8995=17...(8) Peak 10081 from cnoeabs.peaks (7.63, 0.93, 18.02 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.96: H LYS 93 + QG2 ILE 91 OK 92 98 - 94 - 3.2/2969=30, 7082/3.2=24...(27) H VAL 82 + QG2 ILE 91 OK 50 98 - 51 - 4.0/11026=33, 7061/4.0=9...(8) H GLU 122 - QG2 ILE 91 OK 17 85 - 19 - 3.0/11533=5, 7061/4.0=2...(7) H LEU 66 - QG2 ILE 91 OK 11 77 - 15 - 2485/11026=5, 3.6/8387=2...(4) HD21 ASN 130 - QG2 ILE 91 lone 2 62 - 3 - 5.5/2969=1 Peak 10082 from cnoeabs.peaks (7.80, 0.93, 18.02 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.76: H GLY 94 + QG2 ILE 91 OK 70 89 - 79 - 9001/3.2=33...(13) H SER 44 + QG2 ILE 91 OK 20 72 - 28 - ~9817=9, 9001/3.2=6...(6) Peak 10083 from cnoeabs.peaks (8.01, 0.93, 18.02 ppm; 4.80 A): 4 out of 5 assignments used, quality = 0.91: H VAL 73 + QG2 ILE 91 OK 83 85 - 97 - 10079=50, 8996/3.3=26...(31) H ALA 104 + QG2 ILE 91 OK 24 92 - 26 - 8996/3.3=7, ~9202=3...(10) H ARG 145 + QG2 ILE 91 OK 17 100 - 17 - ~10390=9, 8996/3.3=2, 4.0/8972=2 H ARG 140 + QG2 ILE 91 OK 13 72 - 19 - 8996/3.3=3, ~7787=3...(4) H THR 51 - QG2 ILE 91 lone 5 94 - 6 - 10684/10700=2 Peak 10084 from cnoeabs.peaks (7.76, 2.39, 35.83 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.97: H GLU 90 + HB ILE 91 OK 95 99 - 96 - 7048/4.0=41, 7065/4.7=30...(22) H GLU 90 + HG3 GLU 37 OK 41 85 - 48 - 3.5/7055=7, 7040/3.0=6...(18) Peak 10086 from cnoeabs.peaks (7.22, 1.15, 22.16 ppm; 4.90 A): 3 out of 3 assignments used, quality = 0.76: H GLU 37 + QG2 THR 92 OK 53 100 - 53 - 4.4/9024=12, 9004/3.9=11...(13) HE3 TRP 17 + QG2 THR 92 OK 35 100 - 35 - 4.2/9032=30, 9004/3.9=3 QD PHE 45 + QG2 THR 92 OK 22 99 - 22 - 9004/3.9=5, 9000/9005=3...(6) Peak 10087 from cnoeabs.peaks (7.80, 1.15, 22.16 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.80: H GLY 94 + QG2 THR 92 OK 80 89 - 90 - 3.2/3009=31...(22) H SER 44 - QG2 THR 92 lone 7 72 - 9 - 7096/4.4=3, 10082/8971=1 Peak 10088 from cnoeabs.peaks (7.53, 4.24, 67.71 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.96: H ILE 91 + HB THR 92 OK 91 100 - 91 - 7060/4.0=36, ~3005=27...(14) H LEU 95 + HB THR 92 OK 61 89 - 69 - 9058/2.1=18, 7081/4.7=12...(14) H TRP 88 - HB THR 92 OK 35 92 - 38 - 7067/4.0=10, 9005/2.1=9...(10) Peak 10090 from cnoeabs.peaks (8.07, 4.22, 58.90 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.70: H ASN 96 + HA LYS 93 OK 70 98 - 72 - 11692=30, 9044/3.6=21...(13) Peak 10092 from cnoeabs.peaks (8.68, 1.84, 32.09 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.95: H THR 92 + HB2 LYS 93 OK 92 99 - 93 - 3.2/3022=34, ~3034=23...(26) H VAL 53 + HB2 LYS 93 OK 33 89 - 37 - 10093/1.8=9, 9045/4.7=8...(8) H ASN 130 - HB2 LYS 93 OK 11 99 - 11 - 10093/1.8=3, 9045/4.7=2...(4) Peak 10093 from cnoeabs.peaks (8.69, 1.89, 32.09 ppm; 4.32 A): 3 out of 3 assignments used, quality = 0.77: H THR 92 + HB3 LYS 93 OK 61 68 - 90 - 3.2/3034=32, ~3022=20...(28) H VAL 53 + HB3 LYS 93 OK 33 100 - 34 - 9045/4.7=13, 3.0/3033=7...(6) H ASN 130 + HB3 LYS 93 OK 11 96 - 11 - 9045/4.7=4, 10092/1.8=2...(4) Peak 10095 from cnoeabs.peaks (7.80, 3.65, 66.86 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.72: H GLY 94 + HA THR 92 OK 72 77 - 94 - 10087/3.2=37...(21) HE22 GLN 133 - HA THR 92 lone 5 72 - 7 - 10453/9018=4 Peak 10096 from cnoeabs.peaks (1.72, 1.15, 22.16 ppm; 3.46 A): 5 out of 6 assignments used, quality = 0.67: HG3 ARG 89 + QG2 THR 92 OK 30 98 - 31 - 3.8/8947=15, 2.8/9025=8...(6) HG LEU 66 + QG2 THR 92 OK 24 99 - 24 - 2.1/9891=11, 9022/2.1=5...(5) HB3 ARG 144 + QG2 THR 92 OK 16 85 - 19 - 3.0/9026=4, 9022/2.1=4...(7) HB3 GLU 81 + QG2 THR 92 OK 15 94 - 16 - 3.0/10085=6, 4.6/3009=4 HB3 ARG 109 + QG2 THR 92 OK 12 100 - 12 - 3.6/9011=3, 9022/2.1=2, ~11617=1 HD2 LYS 36 - QG2 THR 92 poor 8 77 - 10 - 2.9/10100=3, 5.3/10084=3 Peak 10097 from cnoeabs.peaks (1.98, 1.15, 22.16 ppm; 3.80 A): 5 out of 7 assignments used, quality = 0.81: QE MET 59 + QG2 THR 92 OK 36 96 - 37 - 9200/10088=5...(14) HB3 GLU 75 + QG2 THR 92 OK 36 94 - 38 - 8636=9, 1.8/8629=7...(11) HB2 GLU 142 + QG2 THR 92 OK 27 100 - 26 - 4839/2.1=5, 3.0/3007=3...(12) HB VAL 63 + QG2 THR 92 OK 26 94 - 28 - 2.1/8353=9, 8356=7...(6) QE MET 113 + QG2 THR 92 OK 16 89 - 18 - 9200/10088=2...(5) HB3 ARG 124 - QG2 THR 92 lone 8 89 - 9 - HB2 GLN 111 - QG2 THR 92 lone 6 68 - 9 - 1.8/9025=1, 9200/10088=1 Peak 10098 from cnoeabs.peaks (3.84, 1.15, 22.16 ppm; 5.60 A): 2 out of 7 assignments used, quality = 0.97: HA ALA 104 + QG2 THR 92 OK 93 100 - 93 - 2.1/10088=50, ~10201=29...(18) HA LEU 72 + QG2 THR 92 OK 63 94 - 67 - 3.8/9028=15, 3.9/9028=13...(21) HA MET 68 - QG2 THR 92 OK 42 100 - 42 - 4.9/9869=7, 4.6/8423=5...(14) HB2 SER 127 - QG2 THR 92 OK 24 100 - 24 - 10363/9074=3...(10) HA GLN 133 - QG2 THR 92 OK 21 89 - 24 - 9615=6, 3405/10088=2...(6) HB2 SER 100 - QG2 THR 92 OK 14 81 - 17 - 10161/10120=3, ~2999=2...(5) HD2 PRO 118 - QG2 THR 92 poor 8 72 - 11 - 8213/8224=1 Peak 10099 from cnoeabs.peaks (1.27, 1.15, 22.16 ppm; 2.54 A): 4 out of 7 assignments used, quality = 0.74: HB3 LEU 97 + QG2 THR 92 OK 50 89 - 57 - 3.2/9130=10...(24) QB ALA 104 + QG2 THR 92 OK 23 62 - 37 - 9197=12, 2.1/9194=4...(11) QG2 THR 99 + QG2 THR 92 OK 22 94 - 23 - 3.2/10120=6, 2.1/10162=5...(6) QG2 THR 102 + QG2 THR 92 OK 12 100 - 12 - 2.1/3007=3, 3380/2.1=2...(5) HB2 LEU 132 - QG2 THR 92 lone 5 98 - 5 - HG2 LYS 61 - QG2 THR 92 lone 4 100 - 4 - HG3 LYS 61 - QG2 THR 92 lone 4 94 - 4 - Peak 10100 from cnoeabs.peaks (1.42, 1.15, 22.16 ppm; 3.67 A): 4 out of 6 assignments used, quality = 0.88: HG12 ILE 91 + QG2 THR 92 OK 57 96 - 59 - 2.1/8979=21, 3.2/8971=11...(10) HG3 LYS 93 + QG2 THR 92 OK 53 98 - 54 - 5.1/3009=11, 4.0/10090=9...(15) HG2 LYS 24 + QG2 THR 92 OK 29 92 - 31 - 3.0/9026=6, 4.0/10085=4...(11) HG2 LYS 36 + QG2 THR 92 OK 18 92 - 19 - 3.8/10084=5, 2.9/10082=3...(5) HD2 LYS 114 - QG2 THR 92 lone 7 77 - 9 - 7091/4.4=2, 2990/8979=1 HB2 ARG 35 - QG2 THR 92 lone 3 62 - 5 - Peak 10101 from cnoeabs.peaks (1.27, 4.24, 67.71 ppm; 4.05 A): 4 out of 8 assignments used, quality = 0.96: QB ALA 104 + HB THR 92 OK 78 89 - 88 - 10088/2.1=48...(16) HB3 LEU 97 + HB THR 92 OK 57 62 - 91 - 10099/2.1=19, ~10104=18...(25) QG2 THR 102 + HB THR 92 OK 37 99 - 38 - 4.0/10148=7, 10102/3.0=6...(11) QG2 THR 99 + HB THR 92 OK 36 72 - 50 - ~10162=12, ~10121=11...(8) HG2 LYS 61 - HB THR 92 lone 9 94 - 10 - 10099/2.1=2, 10102/3.0=2...(4) HB2 LEU 132 - HB THR 92 lone 8 81 - 9 - 10099/2.1=2, 8949/2858=1...(4) HG3 LYS 61 - HB THR 92 lone 6 72 - 8 - 10099/2.1=1, ~10099=1...(4) HG12 ILE 58 - HB THR 92 lone 6 72 - 8 - 10102/3.0=1, 10104/4.0=1 Peak 10102 from cnoeabs.peaks (1.28, 3.65, 66.86 ppm; 4.55 A): 3 out of 6 assignments used, quality = 0.93: QB ALA 104 + HA THR 92 OK 87 98 - 89 - 10088/3.2=46...(20) QG2 THR 102 + HA THR 92 OK 37 92 - 40 - 10103/3.6=8, 10087/3.0=7...(11) HG2 LYS 61 + HA THR 92 OK 10 81 - 12 - 3226/9116=2, 3219/9124=2...(5) HG12 ILE 58 - HA THR 92 lone 9 89 - 9 - 10104/2.9=2, 10103/3.6=1 HB2 LEU 132 - HA THR 92 poor 7 62 - 11 - 10103/3.6=2, 10087/3.0=2...(4) HG13 ILE 58 - HA THR 92 lone 6 68 - 8 - 10104/2.9=2, ~10104=2 Peak 10105 from cnoeabs.peaks (7.53, 4.22, 58.90 ppm; 4.18 A): 3 out of 3 assignments used, quality = 0.83: H ILE 91 + HA LYS 93 OK 61 99 - 62 - 7061/2.9=22, ~7082=10...(13) H LEU 95 + HA LYS 93 OK 49 77 - 64 - 4.6/10090=23...(13) H TRP 88 + HA LYS 93 OK 15 81 - 19 - 7081/2.9=6, 7110/3.6=4...(5) Peak 10106 from cnoeabs.peaks (5.03, 1.84, 32.09 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.49: HG1 THR 92 + HB2 LYS 93 OK 49 89 - 55 - 5.0/10092=20, ~10090=12...(9) Peak 10107 from cnoeabs.peaks (7.81, 1.65, 28.90 ppm; 4.65 A): 2 out of 8 assignments used, quality = 0.98: H GLY 94 + HD3 LYS 93 OK 95 100 - 95 - 7100/3.4=29, 3044/3.4=21...(26) H GLY 94 + HG13 ILE 136 OK 57 81 - 70 - 10458/2.9=19, 7105=10...(20) H TYR 27 - HD3 LYS 93 OK 42 85 - 49 - 3032/3.4=8, 3044/3.4=8...(13) H SER 44 - HD3 LYS 93 OK 22 96 - 23 - 3032/3.4=4, 3044/3.4=4...(8) H SER 44 - HG13 ILE 136 OK 16 75 - 22 - 10458/2.9=6, ~10326=3...(6) H THR 110 - HD3 LYS 93 OK 16 72 - 22 - 4.0/9289=8, 10108/1.8=2...(7) H THR 110 - HG13 ILE 136 poor 7 53 - 13 - 4.0/9289=4, 10458/2.9=3 H TYR 27 - HG13 ILE 136 lone 4 64 - 6 - Peak 10108 from cnoeabs.peaks (7.81, 1.68, 28.90 ppm; 5.07 A): 3 out of 10 assignments used, quality = 1.00: H GLY 94 + HD2 LYS 93 OK 97 100 - 98 - 4.7/3069=33, 3044/3.4=24...(31) H TYR 27 + HD2 LYS 93 OK 58 96 - 61 - 3.0/8043=12, 3032/3.4=8...(18) H GLY 94 + HD3 LYS 48 OK 55 91 - 60 - 3.2/3067=12, 4.7/3069=11...(19) H LEU 26 - HD2 LYS 93 OK 36 72 - 49 - ~3033=5, ~3021=5...(21) H SER 44 - HD2 LYS 93 OK 31 100 - 31 - 3032/3.4=4, 3044/3.4=4...(10) H THR 110 - HD2 LYS 93 OK 23 89 - 26 - 4.0/9289=9, 10107/1.8=3...(7) H SER 44 - HD3 LYS 48 OK 13 91 - 15 - 3.9/8167=5, 3.9/8167=5 H THR 110 - HD3 LYS 48 OK 11 77 - 14 - 7303/6.0=5, 7301/5.3=4...(4) H TYR 27 - HD3 LYS 48 lone 8 85 - 9 - ~10808=2, 3032/3069=1 H LEU 26 - HD3 LYS 48 lone 3 61 - 5 - Peak 10109 from cnoeabs.peaks (1.90, 3.96, 46.49 ppm; 5.13 A): 3 out of 12 assignments used, quality = 0.91: HB3 LYS 93 + HA3 GLY 94 OK 75 81 - 92 - 1.8/9054=26, ~7100=26...(21) HB ILE 136 + HA3 GLY 94 OK 51 85 - 60 - 10458/3.0=18...(13) QE MET 68 + HA3 GLY 94 OK 27 98 - 28 - 8421=8, 9060/3.5=5...(9) HB2 LYS 24 - HA3 GLY 94 OK 20 100 - 20 - ~7103=4, 7101/3.0=4...(7) HB3 ARG 141 - HA3 GLY 94 OK 18 68 - 26 - 3.0/10375=6, ~9051=5...(7) HB3 ARG 89 - HA3 GLY 94 OK 16 100 - 16 - 7101/3.0=4, 9060/3.5=4...(4) HB3 LEU 69 - HA3 GLY 94 OK 16 100 - 16 - 9060/3.5=4, 10110/1.8=2...(5) HB ILE 101 - HA3 GLY 94 OK 11 100 - 11 - 7101/3.0=2, 9060/3.5=2...(4) HG13 ILE 83 - HA3 GLY 94 poor 9 77 - 12 - 3.8/10011=6, 9991/8825=1 HB3 ARG 140 - HA3 GLY 94 poor 9 85 - 11 - 9060/3.5=3, 7101/3.0=2...(4) HB2 LYS 86 - HA3 GLY 94 lone 7 68 - 10 - 3.5/2726=1 HB3 GLN 111 - HA3 GLY 94 lone 4 99 - 4 - Peak 10110 from cnoeabs.peaks (1.90, 3.64, 46.49 ppm; 5.47 A): 3 out of 12 assignments used, quality = 0.93: HB3 LYS 93 + HA2 GLY 94 OK 78 81 - 96 - ~7100=29, 4.7/7108=28...(23) HB ILE 136 + HA2 GLY 94 OK 56 85 - 66 - 10458/3.0=20...(15) QE MET 68 + HA2 GLY 94 OK 32 98 - 33 - 8421/1.8=13, 9060/3.5=6...(7) HB3 ARG 141 - HA2 GLY 94 OK 26 68 - 39 - 1.8/9051=7, ~10502=7...(11) HB2 LYS 24 - HA2 GLY 94 OK 23 100 - 23 - ~7103=5, 7101/3.0=4...(7) HB3 ARG 89 - HA2 GLY 94 OK 18 100 - 18 - 7101/3.0=4, 9060/3.5=4...(4) HB3 LEU 69 - HA2 GLY 94 OK 18 100 - 18 - 9060/3.5=4, 10109/1.8=3...(5) HB ILE 101 - HA2 GLY 94 OK 15 100 - 15 - ~7099=2, 7101/3.0=2...(5) HB3 ARG 140 - HA2 GLY 94 OK 10 85 - 12 - 9060/3.5=3, 7101/3.0=2...(4) HG13 ILE 83 - HA2 GLY 94 lone 7 77 - 10 - 10109/1.8=2 HB2 LYS 86 - HA2 GLY 94 lone 7 68 - 10 - ~2726=1, 10109/1.8=1 HB3 GLN 111 - HA2 GLY 94 lone 5 99 - 5 - Peak 10111 from cnoeabs.peaks (8.10, 3.96, 46.49 ppm; 5.45 A): 0 out of 1 assignment used, low quality = 0.31: H ASP 16 - HA3 GLY 94 OK 31 99 - 32 - 10112/1.8=31 Peak 10112 from cnoeabs.peaks (8.10, 3.64, 46.49 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.50: H ASP 16 + HA2 GLY 94 OK 50 100 - 50 - 10111/1.8=45...(3) Peak 10114 from cnoeabs.peaks (4.19, 0.82, 26.88 ppm; 4.43 A): 6 out of 6 assignments used, quality = 0.91: HA PHE 43 + HG LEU 42 OK 72 97 - 75 - 2.8/6328=22, ~6329=21...(9) HA CYS 121 + HG LEU 42 OK 25 89 - 28 - 8157/2.1=8, ~10740=7...(6) HA PHE 43 + QD1 LEU 95 OK 25 99 - 25 - 2.8/6328=12, 4.9/913=8...(4) HA CYS 121 + QD1 LEU 95 OK 19 92 - 21 - ~9450=7, ~9448=6...(5) HA PHE 67 + QD1 LEU 95 OK 15 100 - 15 - ~9980=4, ~11231=3, ~8730=2 HA PHE 67 + HG LEU 42 OK 12 99 - 12 - 8157/2.1=5, 6331/6328=1 Peak 10115 from cnoeabs.peaks (2.52, 0.78, 22.75 ppm; 3.92 A): 0 out of 2 assignments used, low quality = 0.00: HB2 ASP 13 - QD1 LEU 79 lone 8 83 - 10 - 8008/3.1=4, ~10667=2 HB2 ASP 13 - QD2 LEU 95 lone 3 99 - 3 - 10952/8443=1 Peak 10116 from cnoeabs.peaks (1.00, 0.82, 26.88 ppm; 3.37 A): 4 out of 8 assignments used, quality = 0.94: QD2 LEU 116 + HG LEU 42 OK 72 95 - 75 - 9392/2.1=34, 9391/2.1=26...(15) QD1 LEU 116 + HG LEU 42 OK 48 64 - 75 - ~9392=19, ~9391=15...(17) QD2 LEU 69 + HG LEU 42 OK 40 94 - 43 - 8143/2.1=11, 8155/2.1=9...(9) QD2 LEU 69 + QD1 LEU 95 OK 31 96 - 32 - 2.1/9074=6, 3.2/9073=3...(15) QD2 LEU 116 - QD1 LEU 95 OK 15 98 - 16 - 9392/958=5, 8143/950=3...(4) HG12 ILE 136 - QD1 LEU 95 OK 12 72 - 16 - ~10759=2, ~11135=2...(4) HG12 ILE 136 - HG LEU 42 lone 6 69 - 9 - 8155/2.1=2, 8143/2.1=1 QD1 LEU 116 - QD1 LEU 95 lone 6 68 - 8 - 8143/950=1, 8155/958=1 Peak 10117 from cnoeabs.peaks (1.28, 0.82, 26.88 ppm; 4.29 A): 6 out of 8 assignments used, quality = 0.85: HG12 ILE 58 + HG LEU 42 OK 42 98 - 43 - 2.1/943=7, ~959=7...(11) HG13 ILE 58 + HG LEU 42 OK 37 89 - 42 - 2.1/943=7, ~959=7...(11) QB ALA 104 + HG LEU 42 OK 25 99 - 25 - 9195/3.0=9, 10088/9074=4...(6) QB ALA 104 + QD1 LEU 95 OK 21 100 - 21 - 10088/9074=6, 9195/934=2...(8) HG12 ILE 58 + QD1 LEU 95 OK 17 100 - 17 - 2.1/943=3, 2.9/3162=2...(9) HG13 ILE 58 + QD1 LEU 95 OK 15 92 - 16 - 2.1/943=3, 2.9/3162=2...(8) QG2 THR 102 - QD1 LEU 95 lone 2 68 - 3 - QG2 THR 102 - HG LEU 42 lone 2 64 - 3 - Peak 10118 from cnoeabs.peaks (7.65, 0.82, 26.88 ppm; 4.88 A): 7 out of 10 assignments used, quality = 0.89: H LEU 97 + QD1 LEU 95 OK 59 100 - 59 - 11419/2.1=24...(7) H LEU 97 + HG LEU 42 OK 27 98 - 28 - 4.6/7129=11, 9098/7120=4...(7) H GLU 122 + QD1 LEU 95 OK 27 77 - 35 - 9460/3.1=10, ~9450=8...(7) H GLY 50 + QD1 LEU 95 OK 20 96 - 21 - 11579/3.1=4, 6473/4.0=2...(8) H LEU 66 + QD1 LEU 95 OK 17 85 - 19 - 4.4/11417=7, 11441/2.1=4...(5) H GLU 122 + HG LEU 42 OK 14 74 - 20 - ~10740=8, 3.6/10114=5...(4) H LEU 66 + HG LEU 42 OK 14 82 - 17 - 4.8/3149=7, 4.4/11417=5 H GLY 50 - HG LEU 42 lone 6 94 - 7 - 7135/7129=1 HD21 ASN 130 - HG LEU 42 lone 4 91 - 4 - ~10737=1 HD21 ASN 130 - QD1 LEU 95 lone 2 94 - 2 - Peak 10119 from cnoeabs.peaks (8.08, 0.82, 26.88 ppm; 5.69 A): 2 out of 4 assignments used, quality = 0.98: H ASN 96 + QD1 LEU 95 OK 95 99 - 96 - 7121/4.8=41, 3.6/3125=33...(16) H ASN 96 + HG LEU 42 OK 70 97 - 72 - 4.6/3141=18, 4.6/3133=18...(14) H ASP 16 - QD1 LEU 95 OK 18 72 - 25 - 11581/3.1=9, 11580/3.1=8 H ASP 16 - HG LEU 42 lone 4 69 - 6 - 11581/3133=2, 11580/3141=2 Peak 10120 from cnoeabs.peaks (0.78, 3.11, 37.09 ppm; 5.30 A): 5 out of 5 assignments used, quality = 0.92: QD2 LEU 95 + HB3 ASN 96 OK 73 96 - 76 - 7128/3.9=22...(10) QD1 LEU 79 + HB3 ASN 96 OK 52 100 - 53 - 9083/3.0=14, 7128/3.9=12...(13) QG2 THR 74 + HB3 ASN 96 OK 21 100 - 21 - 9083/3.0=5, 7128/3.9=4...(4) QD2 LEU 126 + HB3 ASN 96 OK 13 94 - 13 - 9083/3.0=4, 8757/1.8=3...(4) QG1 VAL 80 + HB3 ASN 96 OK 11 72 - 15 - 9083/3.0=5, 8757/1.8=2 Peak 10121 from cnoeabs.peaks (0.77, 2.74, 37.09 ppm; 5.06 A): 3 out of 4 assignments used, quality = 0.86: QD2 LEU 95 + HB2 ASN 96 OK 71 99 - 72 - 7128/3.9=21, 3.9/9062=19...(9) QD1 LEU 79 + HB2 ASN 96 OK 44 92 - 49 - 7128/3.9=11...(13) QG2 THR 74 + HB2 ASN 96 OK 17 85 - 19 - 7128/3.9=4, 11419/4.7=4...(5) QD2 LEU 72 - HB2 ASN 96 poor 8 77 - 10 - 11419/4.7=2, 9083/3.0=2 Peak 10122 from cnoeabs.peaks (4.24, 3.11, 37.09 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.67: HB THR 92 + HB3 ASN 96 OK 41 100 - 42 - 10123/1.8=18...(5) HA ARG 141 + HB3 ASN 96 OK 23 98 - 24 - 10123/1.8=9, 9099/4.7=6...(5) HB THR 102 + HB3 ASN 96 OK 18 85 - 21 - 9085/3.0=7, 10123/1.8=6...(5) HA GLU 142 + HB3 ASN 96 OK 10 96 - 10 - 10123/1.8=4, 9085/3.0=2 Peak 10123 from cnoeabs.peaks (4.25, 2.74, 37.09 ppm; 4.16 A): 4 out of 4 assignments used, quality = 0.69: HB THR 92 + HB2 ASN 96 OK 47 100 - 47 - 10122/1.8=17, ~9011=11...(6) HA ARG 141 + HB2 ASN 96 OK 22 94 - 24 - 10122/1.8=10, 9099/4.7=6...(5) HB THR 102 + HB2 ASN 96 OK 17 77 - 22 - 10122/1.8=8, 9085/3.0=7...(5) HA GLU 142 + HB2 ASN 96 OK 11 99 - 10 - 10122/1.8=4, 9099/4.7=2 Peak 10128 from cnoeabs.peaks (1.15, 1.60, 41.43 ppm; 3.72 A): 3 out of 6 assignments used, quality = 0.93: QG2 THR 92 + HB2 LEU 97 OK 88 100 - 88 - 9130/3.2=22...(28) HG LEU 64 + HB2 LEU 97 OK 30 68 - 45 - 10105/1.8=9, 2.1/3200=7...(17) HG2 LYS 76 + HB2 LEU 97 OK 13 77 - 17 - 10105/1.8=5, 9130/3.2=5...(5) QD1 LEU 69 - HB2 LEU 97 lone 6 68 - 8 - 11420/4.0=2, 10129/1.8=2 HB2 LEU 72 - HB2 LEU 97 lone 3 68 - 5 - 11420/4.0=1 QG2 THR 18 - HB2 LEU 97 lone 1 72 - 2 - Peak 10129 from cnoeabs.peaks (1.17, 1.26, 41.43 ppm; 3.66 A): 4 out of 5 assignments used, quality = 0.89: QG2 THR 92 + HB3 LEU 97 OK 70 81 - 86 - 10104/1.8=24...(27) QD1 LEU 26 + HB3 LEU 97 OK 45 68 - 67 - 10548/4.0=10, 2.1/3206=8...(32) HG2 LYS 76 + HB3 LEU 97 OK 22 100 - 21 - 10104/1.8=6, 9130/3.2=4...(5) QD1 LEU 69 + HB3 LEU 97 OK 14 100 - 14 - 11420/4.0=3, 10104/1.8=2 HB2 LEU 72 - HB3 LEU 97 lone 6 100 - 6 - 11420/4.0=2 Peak 10130 from cnoeabs.peaks (2.00, 0.85, 22.50 ppm; 3.34 A): 4 out of 10 assignments used, quality = 0.74: QE MET 59 + QD2 LEU 97 OK 53 94 - 56 - 3.4/9127=13...(13) QE MET 11 + QD2 LEU 97 OK 28 96 - 29 - 3.3/9127=10, 9129/2.1=7...(6) QE MET 113 + QD2 LEU 97 OK 14 99 - 15 - 9332/2.1=4, 10188/9112=2 HB VAL 63 + QD2 LEU 97 OK 10 96 - 11 - ~11455=3, ~9870=2 HB2 GLU 142 - QD2 LEU 97 poor 10 77 - 13 - 9129/2.1=3, 3.0/10948=2...(5) HB2 GLN 111 - QD2 LEU 97 lone 10 100 - 10 - 9129/2.1=2, 1.8/10131=1 HB3 GLU 90 - QD2 LEU 97 lone 6 89 - 7 - 4.7/10137=3, ~8958=1, 9129/2.1=1 HB3 GLU 37 - QD2 LEU 97 lone 5 68 - 8 - 3.0/9127=3, ~9128=2 HG3 PRO 52 - QD2 LEU 97 lone 3 98 - 3 - HG3 GLU 122 - QD2 LEU 97 lone 2 92 - 2 - Peak 10131 from cnoeabs.peaks (1.90, 0.85, 22.50 ppm; 3.28 A): 7 out of 11 assignments used, quality = 0.93: HB ILE 101 + QD2 LEU 97 OK 55 100 - 55 - 2.1/3222=8, 3.0/9122=6...(29) HB3 ARG 141 + QD2 LEU 97 OK 52 77 - 68 - 2.8/3220=8, 3.0/9122=7...(41) HG13 ILE 83 + QD2 LEU 97 OK 33 68 - 48 - 1.8/11006=20, 3.8/9124=6...(15) HB ILE 136 + QD2 LEU 97 OK 23 77 - 29 - 2.1/3222=4, 4606/2.1=3...(15) HB3 LYS 93 + QD2 LEU 97 OK 17 89 - 19 - 3.0/9122=4, 10109/2.1=3...(5) HB3 ARG 140 + QD2 LEU 97 OK 12 92 - 13 - 10109/2.1=1 HB3 ARG 89 + QD2 LEU 97 OK 10 100 - 10 - ~8948=2, ~8949=2...(4) HB3 GLN 111 - QD2 LEU 97 lone 9 100 - 9 - 1.8/10130=2, ~9129=1 HB3 LEU 69 - QD2 LEU 97 lone 7 98 - 8 - 10109/2.1=1 QE MET 68 - QD2 LEU 97 lone 6 94 - 7 - HB2 LYS 24 - QD2 LEU 97 lone 5 100 - 5 - Peak 10132 from cnoeabs.peaks (1.88, 0.88, 26.03 ppm; 4.03 A): 6 out of 8 assignments used, quality = 0.93: HB3 ARG 141 + QD1 LEU 97 OK 81 99 - 82 - 2.8/3227=10, 4791/2.1=9...(39) HB3 LYS 93 + QD1 LEU 97 OK 29 94 - 31 - 4.1/9034=4, ~9122=3...(14) HB3 LYS 48 + QD1 LEU 97 OK 20 89 - 22 - 2.9/3225=2, 3.6/3227=2...(5) HB3 ARG 140 + QD1 LEU 97 OK 16 92 - 17 - 2.9/11575=2, 2.9/11015=2...(6) HB2 LYS 48 + QD1 LEU 97 OK 13 62 - 21 - 2.9/3225=2, 3.6/3227=2...(4) HB2 ARG 144 + QD1 LEU 97 OK 12 77 - 15 - ~11427=2, 3.0/3225=1, 3.0/3225=1 HB3 GLN 111 - QD1 LEU 97 lone 6 68 - 9 - 1.8/9129=4, ~10130=2 HB2 LYS 36 - QD1 LEU 97 lone 5 81 - 6 - 3.0/9115=2 Peak 10133 from cnoeabs.peaks (8.08, 0.88, 26.03 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.90: H ASN 96 + QD1 LEU 97 OK 90 100 - 90 - 7149/4.8=39...(12) H ASP 16 - QD1 LEU 97 lone 3 62 - 4 - 11468/2.1=2 Peak 10134 from cnoeabs.peaks (8.24, 0.88, 26.03 ppm; 6.33 A): 1 out of 3 assignments used, quality = 0.64: H THR 102 + QD1 LEU 97 OK 64 94 - 68 - 4.0/9191=13, 3.9/9190=12...(14) H GLY 125 - QD1 LEU 97 lone 8 92 - 8 - 4.6/9129=2, 4.6/9485=1 H THR 74 - QD1 LEU 97 poor 7 62 - 12 - ~9108=2, ~9111=2, ~9125=2 Peak 10136 from cnoeabs.peaks (8.68, 0.88, 26.03 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.93: H THR 92 + QD1 LEU 97 OK 89 100 - 89 - 3.9/9130=31, 2.9/9116=27...(18) H ASN 130 + QD1 LEU 97 OK 27 98 - 27 - 10125/4.8=12, 4.6/9552=3...(10) H VAL 53 + QD1 LEU 97 OK 12 85 - 15 - 10125/4.8=8, 2994/9116=1 Peak 10137 from cnoeabs.peaks (7.54, 0.85, 22.50 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.78: H LEU 95 + QD2 LEU 97 OK 59 100 - 59 - 4.6/10138=18...(8) H TRP 88 + QD2 LEU 97 OK 30 100 - 30 - 9103/2.1=5, 8.8/9112=5...(10) H ILE 91 + QD2 LEU 97 OK 24 89 - 27 - ~10136=11, 9098/5.0=4...(8) Peak 10138 from cnoeabs.peaks (8.08, 0.85, 22.50 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.94: H ASN 96 + QD2 LEU 97 OK 94 100 - 94 - 7149/5.0=38...(12) Peak 10139 from cnoeabs.peaks (7.81, 1.68, 26.52 ppm; 4.33 A): 7 out of 10 assignments used, quality = 0.92: H TYR 27 + HG LEU 26 OK 44 61 - 72 - 6090/3.0=18, 6091/3.0=16...(9) H GLY 94 + HG LEU 97 OK 42 100 - 42 - ~9124=6, 7104=6...(14) H LEU 26 + HG LEU 26 OK 36 41 - 88 - 5.3=54, 2.9/239=16...(14) H LEU 26 + HG LEU 97 OK 30 72 - 41 - 3.9/255=7, 2.9/239=7...(8) H TYR 27 + HG LEU 97 OK 29 96 - 31 - 6092=6, 4.6/255=6...(9) H GLY 94 + HG LEU 26 OK 13 67 - 19 - 274/2.1=2, 7104=2...(9) H SER 44 + HG LEU 26 OK 10 67 - 16 - 3.9/8167=3, 3.9/8167=3...(7) H THR 110 - HG LEU 26 poor 8 54 - 15 - 274/2.1=4, 282/2.1=2...(7) H SER 44 - HG LEU 97 lone 5 100 - 5 - H THR 110 - HG LEU 97 lone 3 89 - 3 - Peak 10140 from cnoeabs.peaks (7.54, 1.68, 26.52 ppm; 5.25 A): 6 out of 10 assignments used, quality = 0.85: H LEU 95 + HG LEU 97 OK 55 98 - 56 - 10137/2.1=23...(5) H TRP 88 + HG LEU 97 OK 28 96 - 29 - 10137/2.1=12, 9103/2.1=8...(4) H ILE 91 + HG LEU 97 OK 23 72 - 31 - ~10136=15, 10137/2.1=9...(4) H LYS 86 + HG LEU 97 OK 22 77 - 28 - 9103/2.1=10, 8868/3.0=8...(5) HD21 ASN 54 + HG LEU 97 OK 15 77 - 19 - ~9112=13, 9103/2.1=5 H LEU 95 + HG LEU 26 OK 11 63 - 18 - ~9063=4, 9098/7158=3...(5) H LYS 86 - HG LEU 26 poor 7 45 - 15 - 3.0/2676=2, 4.0/2698=2...(6) H TRP 88 - HG LEU 26 lone 5 61 - 9 - ~10900=2, 10137/3220=1 H ILE 91 - HG LEU 26 poor 4 41 - 10 - 4.0/10580=2, 7049/4.3=2 HD21 ASN 54 - HG LEU 26 lone 1 45 - 3 - Peak 10142 from cnoeabs.peaks (1.49, 2.06, 27.30 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.99: HG13 ILE 101 + HG3 PRO 98 OK 97 100 - 97 - ~9175=25, ~9175=23...(27) HG2 LYS 34 + HG3 PRO 98 OK 74 85 - 87 - ~9131=16, ~9131=12...(43) HD3 LYS 114 - HG3 PRO 98 lone 8 100 - 8 - 3.6/10113=3, 9135/2.3=1 HB3 LEU 29 - HG3 PRO 98 lone 7 100 - 7 - 9141/2.3=2, 9135/2.3=1 QB ALA 134 - HG3 PRO 98 lone 3 85 - 4 - Peak 10143 from cnoeabs.peaks (1.61, 2.06, 27.30 ppm; 4.72 A): 5 out of 11 assignments used, quality = 1.00: HB2 LEU 97 + HG3 PRO 98 OK 94 94 - 100 - 9111/2.3=28, ~9108=25...(46) HG3 ARG 49 + HG3 PRO 98 OK 77 100 - 77 - ~8195=23, 9802/2.3=15...(20) HB3 LEU 64 + HG3 PRO 98 OK 70 99 - 71 - 3.8/10147=15, 8368=15...(14) HG3 LYS 34 + HG3 PRO 98 OK 53 57 - 92 - 1.8/10112=19, ~9138=16...(46) HB2 LEU 87 + HG3 PRO 98 OK 50 100 - 50 - ~9145=8, ~9146=7...(12) HD2 LYS 24 - HG3 PRO 98 poor 10 57 - 17 - ~9145=3, ~9146=3...(5) HG3 LYS 48 - HG3 PRO 98 lone 6 81 - 7 - 9134/2.3=2, 3.0/10113=2 HG LEU 108 - HG3 PRO 98 lone 5 98 - 6 - 9802/2.3=2, 6615/10147=1 HG3 ARG 144 - HG3 PRO 98 lone 5 99 - 5 - 9134/2.3=1 HG2 ARG 141 - HG3 PRO 98 lone 5 96 - 5 - 9134/2.3=2 HG2 ARG 144 - HG3 PRO 98 lone 4 85 - 5 - Peak 10144 from cnoeabs.peaks (8.20, 2.35, 32.00 ppm; 6.42 A): 0 out of 5 assignments used, low quality = 0.29: H ARG 124 - HB2 PRO 98 OK 29 92 - 32 - 3.6/4102=12, 4.8/4137=11 H MET 11 - HB2 PRO 98 lone 7 100 - 7 - 10973/1.8=1, ~14=1, ~14=1 H ILE 136 - HB2 PRO 98 lone 3 77 - 4 - H ARG 141 - HB2 PRO 98 lone 3 99 - 3 - H GLU 142 - HB2 PRO 98 lone 3 72 - 4 - Peak 10145 from cnoeabs.peaks (7.72, 2.35, 32.00 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.75: H SER 100 + HB2 PRO 98 OK 58 100 - 58 - 4.6/3265=25...(7) H GLN 62 + HB2 PRO 98 OK 34 100 - 34 - 6577/1.8=9, ~6565=5...(9) H LEU 132 + HB2 PRO 98 OK 11 100 - 11 - 8315/10529=2...(4) HD21 ASN 128 - HB2 PRO 98 lone 6 94 - 7 - 7604/4.2=3, 5.6/3265=1 Peak 10146 from cnoeabs.peaks (7.42, 2.35, 32.00 ppm; 6.11 A): 2 out of 2 assignments used, quality = 0.67: H ILE 101 + HB2 PRO 98 OK 62 92 - 68 - 4.6/10145=20...(8) HD22 ASN 84 + HB2 PRO 98 OK 13 96 - 14 - 8846/10529=2...(6) Peak 10147 from cnoeabs.peaks (8.29, 2.06, 27.30 ppm; 4.96 A): 0 out of 4 assignments used, low quality = 0.15: H LEU 64 - HG3 PRO 98 OK 15 100 - 15 - 3.8/8368=10...(3) H VAL 71 - HG3 PRO 98 lone 7 92 - 8 - 3.8/10113=4 H GLN 25 - HG3 PRO 98 lone 2 62 - 3 - 4.6/1759=2 H THR 18 - HG3 PRO 98 lone 1 72 - 2 - Peak 10148 from cnoeabs.peaks (8.25, 4.24, 67.71 ppm; 5.26 A): 2 out of 3 assignments used, quality = 0.57: H ALA 105 + HB THR 92 OK 40 92 - 43 - 3.7/9204=17, ~9011=12...(6) H THR 102 + HB THR 92 OK 28 100 - 28 - 4.0/10087=7, 4.1/9019=5...(9) H ASP 32 - HB THR 92 lone 1 68 - 2 - Peak 10149 from cnoeabs.peaks (7.72, 4.27, 68.69 ppm; 5.53 A): 1 out of 4 assignments used, quality = 0.99: H SER 100 + HB THR 99 OK 99 99 - 100 - 4.4=100 H LEU 132 - HB THR 99 OK 31 99 - 31 - 10150/2.1=10, 3294/3.0=5...(7) HD21 ASN 128 - HB THR 99 OK 15 99 - 15 - 7604/3.8=5, 10150/2.1=4...(4) H GLN 62 - HB THR 99 OK 14 96 - 15 - 10150/2.1=5, 3294/3.0=3...(4) Peak 10150 from cnoeabs.peaks (7.72, 1.26, 21.65 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.99: H SER 100 + QG2 THR 99 OK 99 99 - 100 - 4.0=100 H LEU 132 - QG2 THR 99 OK 35 99 - 35 - 7666=5, 2.8/4470=4...(11) H GLN 62 - QG2 THR 99 OK 18 96 - 18 - 6579=2, 10149/2.1=2...(9) HD21 ASN 128 - QG2 THR 99 OK 12 99 - 12 - 7604/4.0=3, 5.6/3300=3...(4) Peak 10152 from cnoeabs.peaks (7.43, 4.10, 62.91 ppm; 4.75 A): 3 out of 4 assignments used, quality = 0.73: H ILE 101 + HA THR 99 OK 59 100 - 60 - 7181/3.6=26, 7184/4.8=25...(6) HD22 ASN 84 + HA THR 99 OK 24 99 - 24 - 7181/3.6=7, 10153/3.2=5...(5) H ILE 101 + HA PRO 52 OK 11 82 - 14 - 4.6/7175=5, 10533/2.3=2...(4) HD22 ASN 84 - HA PRO 52 lone 5 79 - 6 - 3.5/10928=2 Peak 10153 from cnoeabs.peaks (7.42, 1.26, 21.65 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.80: H ILE 101 + QG2 THR 99 OK 71 92 - 77 - 7181/4.0=31...(11) HD22 ASN 84 + QG2 THR 99 OK 33 96 - 34 - 7181/4.0=9, 10152/3.2=8...(8) Peak 10154 from cnoeabs.peaks (7.61, 1.26, 21.65 ppm; 5.91 A): 1 out of 2 assignments used, quality = 0.47: H LYS 93 + QG2 THR 99 OK 47 89 - 53 - 4.1/9152=13...(11) HD22 ASN 96 - QG2 THR 99 lone 4 81 - 5 - 5.5/9088=3 Peak 10156 from cnoeabs.peaks (8.27, 3.83, 62.85 ppm; 6.57 A): 0 out of 4 assignments used, low quality = 0.15: H LEU 39 - HB2 SER 100 OK 15 100 - 15 - 3.3/10974=5, 4.8/8117=4 H GLN 25 - HB2 SER 100 lone 6 100 - 6 - 10941/9165=2 H ASP 32 - HB2 SER 100 lone 4 77 - 5 - ~10125=2 H GLY 143 - HB2 SER 100 lone 3 99 - 3 - Peak 10157 from cnoeabs.peaks (3.23, 1.26, 21.65 ppm; 6.44 A): 2 out of 4 assignments used, quality = 0.53: HD3 ARG 89 + QG2 THR 99 OK 39 100 - 39 - 5.5/8949=15, 3.5/9152=12...(4) HD2 ARG 140 + QG2 THR 99 OK 23 89 - 26 - 3.4/9152=7, 2855/8949=3...(10) HD3 ARG 124 - QG2 THR 99 poor 7 62 - 11 - 3.8/9153=2, 3.0/9154=1 HB3 TYR 117 - QG2 THR 99 lone 6 68 - 9 - 4.5/10160=5 Peak 10158 from cnoeabs.peaks (2.92, 1.26, 21.65 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.24: HB3 ASN 130 - QG2 THR 99 OK 24 62 - 39 - 1.8/10117=24...(4) HE2 LYS 61 - QG2 THR 99 poor 9 68 - 13 - 4.8/1665=2, 4.8/1676=2...(4) HE3 LYS 61 - QG2 THR 99 poor 9 68 - 13 - 4.8/1665=2, 4.8/1676=2...(4) HB2 HIS 14 - QG2 THR 99 lone 7 99 - 7 - HD2 ARG 35 - QG2 THR 99 lone 2 89 - 2 - Peak 10159 from cnoeabs.peaks (3.99, 1.26, 21.65 ppm; 3.61 A): 0 out of 9 assignments used, low quality = 0.16: HB3 SER 127 - QG2 THR 99 OK 16 100 - 16 - 1.8/10119=6, 4.7/3300=3...(5) HB3 SER 138 - QG2 THR 99 poor 10 81 - 12 - 3.0/3302=3 HB2 SER 138 - QG2 THR 99 poor 10 81 - 12 - 3.0/3302=3 HA LYS 114 - QG2 THR 99 lone 6 77 - 8 - 3.0/10123=4, 6.3/10117=1 HA LEU 69 - QG2 THR 99 lone 5 81 - 6 - 3.0/9152=2 HA MET 113 - QG2 THR 99 lone 5 77 - 6 - 5.4/9153=3 HA GLU 75 - QG2 THR 99 lone 3 89 - 4 - 3.0/9153=1 HA GLU 122 - QG2 THR 99 lone 3 77 - 4 - HA3 GLY 143 - QG2 THR 99 lone 2 68 - 2 - Peak 10160 from cnoeabs.peaks (3.82, 1.26, 21.65 ppm; 4.11 A): 4 out of 5 assignments used, quality = 0.52: HB2 SER 100 + QG2 THR 99 OK 23 62 - 37 - 1.8/10118=13, 3.0/9161=9...(6) HA LEU 66 + QG2 THR 99 OK 19 92 - 20 - 3.0/10123=7, 10119=6 HA THR 110 + QG2 THR 99 OK 13 100 - 13 - 9337/9153=2, 3.0/3301=2 HA3 GLY 50 + QG2 THR 99 OK 11 98 - 11 - 1.8/3302=3, 1306/2.1=2, ~3292=1 HD2 PRO 118 - QG2 THR 99 poor 9 72 - 13 - 10119=4, 7179/4.0=2 Peak 10161 from cnoeabs.peaks (3.84, 4.10, 62.91 ppm; 4.12 A): 5 out of 18 assignments used, quality = 0.78: HB2 SER 100 + HA THR 99 OK 53 98 - 55 - 3311/4.8=21, 7179/3.6=13...(8) HB2 SER 127 + HA THR 99 OK 22 94 - 23 - ~10159=6, 10119/3.2=6...(8) HA GLN 133 + HA THR 99 OK 17 100 - 17 - 10119/3.2=5, 7179/3.6=4...(4) HD2 PRO 118 + HA PRO 52 OK 15 73 - 21 - 3.0/10456=5, ~1357=3...(9) HA ALA 104 + HA THR 99 OK 13 99 - 13 - 10119/3.2=4...(4) HA LEU 66 - HA THR 99 poor 10 77 - 12 - 10119/3.2=5, ~10123=2...(4) HA3 GLY 50 - HA PRO 52 poor 9 45 - 20 - 10655/3.6=6, 1.8/3292=5...(5) HD2 PRO 118 - HA THR 99 lone 9 94 - 9 - 7179/3.6=3, 3307/4.8=2 HB2 SER 100 - HA PRO 52 poor 8 78 - 10 - 4.1/7175=5, 4.5/10152=2 HA3 GLY 50 - HA THR 99 poor 7 62 - 11 - 1.8/3292=2, ~3302=1...(4) HA MET 68 - HA THR 99 lone 6 96 - 6 - 10084/10120=2 HA GLN 133 - HA PRO 52 lone 6 81 - 8 - 4528/2.3=1 HA LEU 72 - HA THR 99 lone 4 72 - 6 - 10084/10120=3, 3.0/10163=1 HB2 SER 127 - HA PRO 52 lone 4 73 - 5 - 4320/4.8=3 HA ALA 104 - HA PRO 52 lone 3 79 - 4 - HA MET 68 - HA PRO 52 lone 2 76 - 2 - HA LEU 66 - HA PRO 52 lone 1 57 - 2 - HA LEU 72 - HA PRO 52 lone 1 53 - 2 - Peak 10162 from cnoeabs.peaks (1.16, 4.27, 68.69 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.57: QG2 THR 92 + HB THR 99 OK 45 100 - 45 - 10120/3.0=22...(7) HG2 LYS 76 + HB THR 99 OK 22 89 - 25 - 10120/3.0=10, ~10164=8, ~10123=7 QD1 LEU 69 - HB THR 99 lone 4 81 - 5 - ~9152=1, 10163/3.0=1 HB2 LEU 72 - HB THR 99 lone 3 81 - 3 - 10163/3.0=1 Peak 10163 from cnoeabs.peaks (1.15, 4.10, 62.91 ppm; 4.25 A): 0 out of 12 assignments used, low quality = 0.44: QG2 THR 92 - HA THR 99 OK 35 100 - 35 - 10162/3.0=17...(7) HG2 LYS 76 - HA THR 99 OK 13 77 - 17 - 10162/3.0=8, ~10164=4, ~10123=4 QG2 THR 92 - HA PRO 52 lone 8 82 - 10 - 3005/3.6=2...(4) HG LEU 64 - HA THR 99 lone 5 68 - 7 - 10121/3.0=3, ~9155=2 QD1 LEU 69 - HA THR 99 lone 3 68 - 4 - 10162/3.0=2 HB2 LEU 72 - HA THR 99 lone 3 68 - 4 - ~11676=2, 10162/3.0=1 QG2 THR 18 - HA THR 99 lone 2 72 - 2 - QD1 LEU 69 - HA PRO 52 lone 1 49 - 3 - HG LEU 64 - HA PRO 52 lone 1 49 - 2 - HG2 LYS 76 - HA PRO 52 lone 1 57 - 2 - QG2 THR 18 - HA PRO 52 lone 1 53 - 2 - HB2 LEU 72 - HA PRO 52 lone 1 49 - 1 - Peak 10164 from cnoeabs.peaks (1.47, 1.26, 21.65 ppm; 3.12 A): 0 out of 6 assignments used, low quality = 0.12: HB3 LYS 123 - QG2 THR 99 OK 12 62 - 19 - 3.0/10124=10...(3) HB2 LYS 76 - QG2 THR 99 poor 9 92 - 10 - ~10162=3, ~10121=2...(4) HG LEU 126 - QG2 THR 99 lone 3 100 - 3 - HB3 LEU 66 - QG2 THR 99 lone 3 62 - 5 - 3.0/10160=4 QB ALA 134 - QG2 THR 99 lone 3 72 - 5 - 4.0/9626=2 HG3 LYS 86 - QG2 THR 99 lone 2 100 - 2 - 4.9/8868=1 Peak 10166 from cnoeabs.peaks (7.43, 4.01, 62.85 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: H ILE 101 + HB3 SER 100 OK 100 100 - 100 - 4.5=100 HD22 ASN 84 - HB3 SER 100 OK 30 99 - 30 - 3314/1.8=8, 7181/4.1=7...(8) Peak 10169 from cnoeabs.peaks (2.96, 4.03, 62.73 ppm; 4.69 A): 5 out of 10 assignments used, quality = 0.67: HB2 PHE 106 + HA VAL 63 OK 36 100 - 36 - 1.8/10170=14, 10219=13...(6) HE2 LYS 93 + HA VAL 63 OK 19 99 - 19 - 3.0/10956=10, ~11455=3...(4) HE2 LYS 85 + HA VAL 63 OK 16 98 - 16 - 4.8/10956=7, 4.8/8355=3 HE3 LYS 85 + HA VAL 63 OK 13 85 - 15 - 4.8/10956=7, 4.8/8355=3 HE3 LYS 93 + HA VAL 63 OK 13 68 - 19 - 3.0/10956=10, ~11455=3...(4) HE2 LYS 48 - HA VAL 63 lone 10 100 - 10 - ~11455=1, ~9870=1 HE3 LYS 48 - HA VAL 63 lone 9 94 - 10 - ~11455=1, ~9870=1 HB2 TYR 115 - HA VAL 63 lone 9 100 - 9 - ~9361=3, ~9364=2, 10640/1791=1 HB3 PHE 67 - HA VAL 63 lone 8 100 - 8 - ~10934=6 HB3 TYR 27 - HA VAL 63 lone 4 62 - 6 - ~8045=5 Peak 10170 from cnoeabs.peaks (3.13, 4.03, 62.73 ppm; 4.76 A): 0 out of 8 assignments used, low quality = 0.41: HB3 PHE 106 - HA VAL 63 OK 29 99 - 29 - 1.8/10219=12, 10218=7...(5) HA VAL 80 - HA VAL 63 OK 17 92 - 19 - 3.6/6876=4, 3.2/1790=2...(5) HA LEU 39 - HA VAL 63 poor 10 62 - 15 - 3.6/6273=9, 5.0/8364=4 HA LEU 79 - HA VAL 63 lone 7 100 - 7 - 10150/8364=2 HD3 ARG 145 - HA VAL 63 lone 6 85 - 7 - ~10935=1, 10935/3.2=1 HD2 ARG 145 - HA VAL 63 lone 6 81 - 7 - ~10935=1, 10935/3.2=1 HD2 ARG 109 - HA VAL 63 lone 4 68 - 5 - 3.6/10956=1, 10935/3.2=1 HB3 ASN 96 - HA VAL 63 lone 3 57 - 4 - 10935/3.2=1 Peak 10171 from cnoeabs.peaks (7.65, 0.89, 13.44 ppm; 5.43 A): 2 out of 6 assignments used, quality = 0.95: H LEU 97 + QD1 ILE 101 OK 91 98 - 93 - 4.8/9175=38, 4.8/9173=35...(17) H LEU 66 + QD1 ILE 101 OK 41 92 - 44 - 4.5/9901=6, 4.5/9892=6...(13) H GLU 122 - QD1 ILE 101 OK 22 85 - 26 - ~10174=9, ~7535=5...(5) H GLY 50 - QD1 ILE 101 OK 16 92 - 17 - 9104/9175=4...(5) H VAL 82 - QD1 ILE 101 poor 8 62 - 13 - 3.4/6875=3, 6898/10542=2...(5) HD21 ASN 130 - QD1 ILE 101 lone 5 98 - 5 - Peak 10172 from cnoeabs.peaks (8.25, 0.89, 13.44 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.96: H THR 102 + QD1 ILE 101 OK 88 100 - 89 - 3343/3.1=26, 4.6/3360=20...(20) H ALA 105 + QD1 ILE 101 OK 63 92 - 68 - 10173/2.1=14...(16) H ASP 32 - QD1 ILE 101 lone 3 68 - 4 - Peak 10173 from cnoeabs.peaks (8.25, 1.23, 26.96 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.92: H THR 102 + HG12 ILE 101 OK 81 94 - 86 - 3343/3.2=25, 4.6/3344=24...(16) H ALA 105 + HG12 ILE 101 OK 55 99 - 55 - 10172/2.1=16...(12) H ASP 32 - HG12 ILE 101 lone 2 85 - 2 - Peak 10174 from cnoeabs.peaks (8.46, 1.23, 26.96 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.78: H ASP 137 + HG12 ILE 101 OK 63 94 - 66 - 9694/1.8=19, 7762/2.1=10...(15) H LYS 123 + HG12 ILE 101 OK 40 89 - 45 - 5.0/4167=8, 2.9/4101=7...(12) H GLY 15 - HG12 ILE 101 lone 9 100 - 9 - 4140/4167=1, 4151/4158=1 Peak 10176 from cnoeabs.peaks (1.28, 1.90, 37.21 ppm; 3.15 A): 4 out of 5 assignments used, quality = 0.90: QB ALA 104 + HB ILE 101 OK 61 100 - 61 - 9199=16, 10198/3.0=12...(14) HG12 ILE 58 + HB ILE 101 OK 43 94 - 46 - ~10135=9, 3332=7...(17) HG13 ILE 58 + HB ILE 101 OK 34 77 - 44 - ~10135=9, 1.8/3332=6...(17) QG2 THR 102 + HB ILE 101 OK 32 85 - 38 - 9191/2.1=5, 3.2/3329=5...(18) HG2 LYS 61 - HB ILE 101 lone 2 72 - 3 - Peak 10177 from cnoeabs.peaks (1.32, 0.89, 13.44 ppm; 2.82 A): 0 out of 4 assignments used, low quality = 0.17: HG3 LYS 24 - QD1 ILE 101 OK 17 68 - 26 - 10133/3.1=5, 3.0/3362=3...(11) HG2 LYS 85 - QD1 ILE 101 lone 9 100 - 9 - 3.0/10179=3, 9145/9175=1 HG12 ILE 83 - QD1 ILE 101 poor 8 72 - 11 - 9146/9173=2, 10133/3.1=1...(4) HG LEU 79 - QD1 ILE 101 lone 7 85 - 8 - 10133/3.1=2, 3.0/10130=1 Peak 10178 from cnoeabs.peaks (1.62, 0.89, 13.44 ppm; 3.43 A): 5 out of 10 assignments used, quality = 0.94: HB2 LEU 87 + QD1 ILE 101 OK 60 98 - 61 - 3.0/10129=15...(21) HG3 LYS 34 + QD1 ILE 101 OK 55 92 - 60 - 2.9/9180=16, 1.8/3365=8...(23) HB2 LEU 97 + QD1 ILE 101 OK 45 62 - 73 - 4.8/9175=15, 4.8/9173=14...(33) HD2 LYS 24 + QD1 ILE 101 OK 31 92 - 34 - 3.0/10177=13, 3.7/3362=3...(11) HB3 LEU 64 + QD1 ILE 101 OK 12 99 - 12 - 9131/9175=3, 9134/9173=1 HB3 LEU 26 - QD1 ILE 101 poor 8 62 - 12 - 3.1/10908=3, 3.0/10179=2 HG3 ARG 49 - QD1 ILE 101 lone 7 96 - 7 - 9802/9173=2 HG LEU 108 - QD1 ILE 101 lone 4 72 - 6 - HG2 ARG 141 - QD1 ILE 101 lone 4 68 - 6 - HG3 ARG 144 - QD1 ILE 101 lone 3 99 - 3 - Peak 10179 from cnoeabs.peaks (1.70, 0.89, 13.44 ppm; 3.71 A): 2 out of 5 assignments used, quality = 0.64: HB ILE 58 + QD1 ILE 101 OK 57 100 - 57 - 2.1/8272=8, 3.0/8270=7...(23) HB2 LYS 85 + QD1 ILE 101 OK 16 100 - 16 - 3.0/10177=8, 2.9/3361=2 HG LEU 26 - QD1 ILE 101 poor 9 68 - 13 - 2.1/10908=4, ~10908=1 HD2 LYS 86 - QD1 ILE 101 lone 5 100 - 5 - HB3 LEU 95 - QD1 ILE 101 lone 3 100 - 3 - Peak 10180 from cnoeabs.peaks (2.04, 1.49, 26.96 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.96: HG2 PRO 98 + HG13 ILE 101 OK 81 85 - 95 - ~9175=21, ~9175=20...(26) HB3 LYS 34 + HG13 ILE 101 OK 64 99 - 65 - 9180/2.1=18, 10534/3.0=7...(28) HB2 PRO 33 + HG13 ILE 101 OK 37 99 - 37 - 2.3/9792=11, 9180/2.1=6...(11) HB2 GLU 90 - HG13 ILE 101 OK 15 89 - 17 - 9180/2.1=6, ~8958=3...(5) Peak 10181 from cnoeabs.peaks (1.30, 0.88, 17.37 ppm; 2.70 A): 5 out of 7 assignments used, quality = 0.81: HG13 ILE 58 + QG2 ILE 101 OK 35 96 - 37 - 2.1/10135=11, 1.8/3340=5...(11) HG LEU 87 + QG2 ILE 101 OK 34 98 - 34 - 10129/3.1=9, 3.0/3340=5...(13) HG12 ILE 58 + QG2 ILE 101 OK 29 81 - 35 - 2.1/10135=11, 1.8/3340=3...(12) QB ALA 104 + QG2 ILE 101 OK 23 62 - 37 - 2.1/9169=7, 9195=6...(14) HG3 LYS 24 + QG2 ILE 101 OK 21 92 - 23 - 10129/3.1=4, 3.0/3338=3...(8) HG12 ILE 83 - QG2 ILE 101 lone 9 89 - 10 - 10129/3.1=2, 1.8/3338=1 HG LEU 79 - QG2 ILE 101 lone 3 77 - 4 - 10129/3.1=1 Peak 10182 from cnoeabs.peaks (2.32, 1.49, 26.96 ppm; 4.95 A): 0 out of 3 assignments used, low quality = 0.14: HB3 GLN 47 - HG13 ILE 101 OK 14 72 - 19 - ~10474=5, ~10675=5...(6) HG2 GLU 142 - HG13 ILE 101 lone 6 100 - 6 - ~10131=3 HG3 GLU 120 - HG13 ILE 101 lone 2 96 - 2 - Peak 10183 from cnoeabs.peaks (3.44, 1.49, 26.96 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.72: HD2 PRO 98 + HG13 ILE 101 OK 72 72 - 99 - 9175/2.1=48, 1.8/9171=39...(22) HA LEU 42 - HG13 ILE 101 lone 5 89 - 5 - HB2 TYR 117 - HG13 ILE 101 lone 1 77 - 2 - Peak 10184 from cnoeabs.peaks (4.53, 1.90, 37.21 ppm; 5.39 A): 0 out of 1 assignment used, low quality = 0.00: HA HIS 14 - HB ILE 101 lone 1 68 - 1 - Peak 10185 from cnoeabs.peaks (8.00, 4.21, 63.05 ppm; 5.83 A): 3 out of 6 assignments used, quality = 0.80: H ALA 104 + HA THR 102 OK 75 99 - 76 - 3.6/10186=15...(18) H GLN 47 + HA THR 102 OK 12 77 - 15 - 3.0/6379=4, 6397=2...(4) H ARG 140 + HA THR 102 OK 10 89 - 11 - 7814/10186=2...(4) H VAL 73 - HA THR 102 lone 7 96 - 8 - 6769/3.6=2 H ARG 145 - HA THR 102 lone 3 98 - 3 - H THR 51 - HA THR 102 lone 2 81 - 2 - Peak 10186 from cnoeabs.peaks (4.46, 4.21, 63.05 ppm; 3.93 A): 4 out of 5 assignments used, quality = 0.66: HA SER 103 + HA THR 102 OK 34 98 - 35 - 3.0/10152=11...(5) HA ASP 137 + HA THR 102 OK 21 100 - 20 - 10187/3.2=4, 2.9/7756=3...(6) HA3 GLY 31 + HA THR 102 OK 20 99 - 20 - 406/3.6=6, 10187/3.2=5...(5) HA ASP 41 + HA THR 102 OK 19 99 - 19 - 10509/3.2=15, 7211/3.6=1 HA SER 44 - HA THR 102 lone 9 96 - 9 - 3.6/6365=3, 10187/3.2=2 Peak 10187 from cnoeabs.peaks (4.47, 1.27, 22.25 ppm; 4.38 A): 4 out of 5 assignments used, quality = 0.65: HA SER 103 + QG2 THR 102 OK 28 100 - 28 - 10186/3.2=10...(4) HA ASP 41 + QG2 THR 102 OK 25 85 - 29 - 10509=22, 10186/3.2=6 HA3 GLY 31 + QG2 THR 102 OK 22 100 - 22 - 406/4.2=7, 10186/3.2=6...(5) HA ASP 137 + QG2 THR 102 OK 18 94 - 19 - 10186/3.2=6, 7211/4.2=2...(8) HA SER 44 - QG2 THR 102 lone 7 100 - 7 - 10186/3.2=3, 4.9/3379=2 Peak 10189 from cnoeabs.peaks (7.14, 3.96, 62.40 ppm; 5.69 A): 2 out of 3 assignments used, quality = 0.91: QD PHE 106 + HB3 SER 103 OK 89 100 - 90 - 2.5/10145=35, ~10147=28...(12) QD TYR 117 + HB3 SER 103 OK 17 92 - 19 - 3442/10145=5...(8) QE PHE 45 - HB3 SER 103 lone 6 57 - 10 - 4.7/10152=6 Peak 10190 from cnoeabs.peaks (8.47, 1.28, 18.55 ppm; 4.93 A): 0 out of 1 assignment used, low quality = 0.29: H LYS 123 - QB ALA 104 OK 29 85 - 33 - 7534/4.1=8, 2.9/9203=8...(6) Peak 10191 from cnoeabs.peaks (8.14, 1.28, 18.55 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.73: H THR 107 + QB ALA 104 OK 55 81 - 67 - 7231/3.7=21...(10) H SER 138 + QB ALA 104 OK 40 99 - 41 - 3.6/9205=12...(8) H HIS 14 - QB ALA 104 lone 9 100 - 9 - 3.6/9205=5, 10211/4.1=1 Peak 10192 from cnoeabs.peaks (7.68, 1.28, 18.55 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.67: H PHE 106 + QB ALA 104 OK 48 62 - 77 - 3.7/9222=29, 4.6/7227=26...(10) H ALA 134 + QB ALA 104 OK 36 81 - 45 - 2.9/10156=12, 7230/3.7=5...(13) Peak 10193 from cnoeabs.peaks (7.44, 1.28, 18.55 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.74: H ILE 101 + QB ALA 104 OK 65 94 - 69 - 4.7/10198=22...(10) HD22 ASN 84 + QB ALA 104 OK 25 89 - 28 - 8766/8760=10...(8) Peak 10195 from cnoeabs.peaks (7.28, 3.84, 54.97 ppm; 5.76 A): 0 out of 6 assignments used, low quality = 0.37: H PHE 67 - HA MET 68 OK 19 35 - 53 - 6664/2.9=26, 6681/3.6=22...(7) H PHE 67 - HA ALA 104 OK 13 68 - 19 - 3.6/6671=5, 4.4/1883=2...(6) QE PHE 106 - HA ALA 104 OK 11 98 - 11 - 6.5/7234=10 HZ2 TRP 17 - HA MET 68 poor 6 52 - 11 - 4526/2.9=4, 6681/3.6=3 QE PHE 106 - HA MET 68 lone 4 59 - 7 - 6.5/7234=2, 6681/3.6=1...(4) HZ2 TRP 17 - HA ALA 104 lone 2 92 - 2 - Peak 10196 from cnoeabs.peaks (8.50, 3.11, 55.10 ppm; 5.97 A): 3 out of 3 assignments used, quality = 0.83: H LEU 108 + HA ALA 105 OK 76 81 - 93 - 3.6/3414=34, ~7248=25...(11) H LYS 48 + HA ALA 105 OK 20 92 - 22 - ~9214=4, 3485/3414=3...(10) H VAL 80 + HA ALA 105 OK 11 89 - 13 - 3.5/10205=7, 6866/10205=1 Peak 10197 from cnoeabs.peaks (1.99, 3.84, 54.97 ppm; 3.72 A): 8 out of 20 assignments used, quality = 0.82: QE MET 59 + HA ALA 104 OK 38 100 - 38 - 10402=16, 9200/2.1=12...(6) HB VAL 63 + HA ALA 104 OK 30 100 - 30 - 9200/2.1=7, 3.0/3403=7...(8) QE MET 113 + HA ALA 104 OK 19 100 - 19 - 9200/2.1=5, 9338/4.9=3...(4) HB3 GLU 75 + HA ALA 104 OK 17 62 - 27 - 9200/2.1=5, 3.0/8645=5...(8) HB2 GLU 142 + HA ALA 104 OK 16 94 - 17 - ~10510=6, 9200/2.1=5...(4) QE MET 59 + HA MET 68 OK 11 62 - 17 - 10402=8, 10401/4.9=2, 1635/4.6=1 QE MET 11 + HA MET 68 OK 10 44 - 24 - 43/3.0=3, 45/3.7=3...(11) HB2 GLN 111 + HA ALA 104 OK 10 96 - 11 - 9200/2.1=3, 9249/3403=1, ~9199=1 QE MET 11 - HA ALA 104 poor 9 81 - 12 - 9200/2.1=4, ~9202=4 HB3 GLU 75 - HA MET 68 poor 8 32 - 25 - 1.8/2208=6, 3.0/8645=4...(7) QE MET 113 - HA MET 68 poor 7 63 - 12 - 3723/4.9=2, 9332/8436=1 HB VAL 63 - HA MET 68 poor 7 63 - 11 - ~9870=2, ~8352=2, 1797/1957=1 HG3 PRO 52 - HA ALA 104 lone 4 85 - 5 - 9200/2.1=1 HB2 GLN 111 - HA MET 68 lone 3 57 - 6 - HG3 GLU 122 - HA ALA 104 lone 3 72 - 4 - 9459/4.9=2 HB2 GLU 142 - HA MET 68 lone 2 55 - 3 - HB3 GLU 90 - HA ALA 104 lone 2 68 - 2 - HG3 PRO 52 - HA MET 68 lone 1 47 - 3 - HG3 GLU 122 - HA MET 68 lone 1 38 - 3 - HB3 GLU 90 - HA MET 68 lone 0 35 - 1 - Peak 10198 from cnoeabs.peaks (1.49, 1.28, 18.55 ppm; 3.46 A): 2 out of 5 assignments used, quality = 0.65: HG13 ILE 101 + QB ALA 104 OK 53 100 - 53 - 3.0/10127=14...(11) QB ALA 134 + QB ALA 104 OK 25 89 - 28 - 4.0/9626=8, 2.9/10192=8...(7) HB3 LEU 29 - QB ALA 104 lone 8 100 - 8 - 3.2/10841=3 HG2 LYS 34 - QB ALA 104 lone 5 81 - 7 - 1.8/9201=1, 3333/10127=1 HD3 LYS 114 - QB ALA 104 lone 4 99 - 4 - Peak 10199 from cnoeabs.peaks (0.88, 3.84, 54.97 ppm; 3.43 A): 3 out of 12 assignments used, quality = 0.93: QG2 ILE 101 + HA ALA 104 OK 69 100 - 69 - 9169=17, ~10127=13...(16) QD1 ILE 101 + HA ALA 104 OK 61 100 - 61 - ~10198=10, 9195/2.1=9...(15) QG2 ILE 136 + HA ALA 104 OK 44 100 - 44 - 10328=8, 9195/2.1=7...(12) QG2 ILE 136 - HA MET 68 OK 27 63 - 43 - 3.0/9666=5, 2.1/4602=4...(20) QG2 VAL 80 - HA ALA 104 OK 24 81 - 30 - ~8760=11, 8747=4...(7) QD1 LEU 97 - HA ALA 104 OK 17 100 - 17 - 9195/2.1=5, 9130/9194=3...(5) QG2 VAL 80 - HA MET 68 OK 17 44 - 38 - 8747=4, 2427/3.0=4...(19) QG2 ILE 101 - HA MET 68 OK 13 63 - 20 - 9169=6, 2.1/9168=3 HB3 LEU 42 - HA ALA 104 OK 12 68 - 17 - 9195/2.1=8, ~10096=6, ~10117=2 QD1 ILE 101 - HA MET 68 poor 10 61 - 16 - 3.1/9169=3, 3.2/9168=2 QD1 LEU 97 - HA MET 68 lone 5 62 - 8 - 9130/10084=2 HB3 LEU 42 - HA MET 68 lone 2 35 - 4 - 3.8/1956=3 Peak 10200 from cnoeabs.peaks (0.77, 3.84, 54.97 ppm; 3.64 A): 5 out of 12 assignments used, quality = 0.95: QD2 LEU 72 + HA ALA 104 OK 59 98 - 60 - ~10172=9, 2148/2.8=8...(19) QD1 LEU 72 + HA ALA 104 OK 49 89 - 55 - 10172/2.1=9, 2150=7...(17) QD2 LEU 72 + HA MET 68 OK 43 59 - 73 - 2142=11, 8430/3.0=11...(29) QD1 LEU 72 + HA MET 68 OK 37 50 - 74 - 9912/3.7=17, 2.1/2142=10...(27) QD1 ILE 136 + HA ALA 104 OK 34 85 - 40 - 9666=6, 3.0/10157=5...(10) QD1 ILE 136 - HA MET 68 OK 28 47 - 59 - 8437=8, 3.0/8436=7...(25) QD2 LEU 95 - HA MET 68 OK 21 44 - 48 - 10095/3.7=12, 8430/3.0=8...(15) QG2 VAL 73 - HA ALA 104 OK 20 81 - 25 - 3.9/3398=3, 2179/2.8=3...(8) QG2 VAL 73 - HA MET 68 OK 13 44 - 29 - 8437=4, 3.9/6758=4...(11) QD2 LEU 95 - HA ALA 104 OK 12 81 - 15 - ~10096=8, ~10117=2 QD1 LEU 79 - HA MET 68 OK 10 32 - 31 - 8466/3.6=7, 8443/2.9=5...(9) QD1 LEU 79 - HA ALA 104 lone 4 62 - 7 - Peak 10201 from cnoeabs.peaks (5.01, 1.28, 18.55 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.78: HG1 THR 92 + QB ALA 104 OK 78 96 - 81 - 3.0/10088=45...(10) Peak 10202 from cnoeabs.peaks (3.31, 3.11, 55.10 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.80: HB2 TRP 88 + HA ALA 105 OK 64 94 - 68 - 8928/2.1=29, ~8927=25...(7) HD3 ARG 109 + HA ALA 105 OK 46 98 - 47 - 9211/2.1=12...(12) HD2 ARG 124 - HA ALA 105 lone 7 92 - 8 - 9211/2.1=3, 10333/10335=1 HB3 PHE 38 - HA ALA 105 lone 1 68 - 2 - Peak 10203 from cnoeabs.peaks (7.49, 3.84, 54.97 ppm; 6.14 A): 6 out of 12 assignments used, quality = 0.86: H TYR 70 + HA MET 68 OK 53 60 - 88 - 6696/3.6=34, 1930/4.9=33...(18) H TYR 70 + HA ALA 104 OK 47 99 - 48 - 9210/9213=8, ~2059=7...(14) HD1 TRP 88 + HA MET 68 OK 15 61 - 25 - 6678/2.9=7, 6696/3.6=5...(7) HE21 GLN 47 + HA MET 68 OK 14 63 - 22 - 6678/2.9=5, 1930/4.9=4...(6) HE ARG 49 + HA MET 68 OK 13 52 - 24 - 6678/2.9=5, ~9828=5...(6) HD1 TRP 88 + HA ALA 104 OK 11 100 - 11 - 8926/9213=5, 9399/9372=2 HE22 GLN 25 - HA ALA 104 lone 6 68 - 9 - ~9202=5, ~9202=1 HE21 GLN 47 - HA ALA 104 lone 5 100 - 5 - 6.8/3398=1 HE ARG 49 - HA ALA 104 lone 4 92 - 4 - HE22 GLN 25 - HA MET 68 lone 3 35 - 9 - 6678/2.9=2, 6696/3.6=1...(4) HE22 GLN 62 - HA ALA 104 lone 1 77 - 2 - HE22 GLN 62 - HA MET 68 lone 1 41 - 2 - Peak 10204 from cnoeabs.peaks (7.51, 3.11, 55.10 ppm; 5.47 A): 0 out of 2 assignments used, low quality = 0.00: HE22 GLN 25 - HA ALA 105 lone 8 92 - 8 - 10935/8974=1, 9210/2.1=1...(4) HE ARG 49 - HA ALA 105 lone 5 68 - 7 - 3.9/9223=3, 9210/2.1=1 Peak 10205 from cnoeabs.peaks (7.33, 3.11, 55.10 ppm; 6.58 A): 2 out of 2 assignments used, quality = 0.66: H ARG 109 + HA ALA 105 OK 58 72 - 80 - 4.4/3414=34...(16) H GLU 81 + HA ALA 105 OK 20 100 - 20 - 9915/9260=4, 3.5/10196=4...(5) Peak 10206 from cnoeabs.peaks (7.23, 3.11, 55.10 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.60: QD PHE 45 + HA ALA 105 OK 40 94 - 42 - 10159/2.1=18...(10) H GLU 37 + HA ALA 105 OK 22 72 - 30 - 10159/2.1=11...(7) HZ PHE 106 + HA ALA 105 OK 15 62 - 24 - 8.2/7236=13, 3.8/5641=3...(4) HE3 TRP 17 - HA ALA 105 lone 5 81 - 7 - 10086/9011=2, 10550/3414=1 Peak 10207 from cnoeabs.peaks (7.35, 1.12, 17.85 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.66: H ARG 109 + QB ALA 105 OK 50 100 - 50 - 7289/9221=9, 7280/2.1=9...(12) QD PHE 43 + QB ALA 105 OK 31 100 - 31 - 10212/3.7=16...(5) H GLY 77 - QB ALA 105 lone 6 72 - 8 - 10212/3.7=5 Peak 10208 from cnoeabs.peaks (7.21, 1.12, 17.85 ppm; 4.90 A): 4 out of 5 assignments used, quality = 0.90: HE3 TRP 88 + QB ALA 105 OK 75 96 - 78 - 4.2/9211=31, 4.2/8927=23...(13) H GLU 37 + QB ALA 105 OK 29 89 - 32 - 10159=24, 10331/4179=3...(5) QD TYR 27 + QB ALA 105 OK 26 98 - 26 - ~9229=7, 2.6/9228=7...(6) QD PHE 45 + QB ALA 105 OK 21 62 - 34 - 10159=24, 3.1/9215=4...(5) HE3 TRP 17 - QB ALA 105 lone 4 81 - 4 - 4.2/9211=2 Peak 10209 from cnoeabs.peaks (7.14, 1.12, 17.85 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.87: QD PHE 106 + QB ALA 105 OK 80 100 - 80 - 4.5/7237=34, 3.7/9232=26...(13) QD TYR 117 + QB ALA 105 OK 36 94 - 38 - 7241/3.7=11, 3442/4.7=11...(7) Peak 10210 from cnoeabs.peaks (8.00, 1.12, 17.85 ppm; 5.19 A): 4 out of 6 assignments used, quality = 0.93: H ALA 104 + QB ALA 105 OK 88 100 - 88 - 2.9/9222=37, 4.6/7229=32...(11) H VAL 73 + QB ALA 105 OK 29 98 - 30 - 3404/4.1=8, 7225/2.9=8...(8) H ARG 140 + QB ALA 105 OK 15 92 - 16 - 7225/2.9=4, 3404/4.1=3...(4) H ARG 145 + QB ALA 105 OK 11 96 - 11 - 7225/2.9=2, 6.0/3416=1...(5) H GLN 47 - QB ALA 105 poor 9 81 - 11 - 7225/2.9=2, 6394/9215=2 H THR 51 - QB ALA 105 lone 1 77 - 2 - Peak 10211 from cnoeabs.peaks (8.15, 1.12, 17.85 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.95: H THR 107 + QB ALA 105 OK 92 100 - 93 - 3.5/7237=35, 7248/2.9=28...(19) H SER 138 + QB ALA 105 OK 33 98 - 34 - 7231/2.9=9, 10191/4.1=7...(8) H HIS 14 - QB ALA 105 lone 7 85 - 7 - 10191/4.1=2, 7231/2.9=1 Peak 10215 from cnoeabs.peaks (9.54, 1.12, 17.85 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.74: HE1 TRP 88 + QB ALA 105 OK 74 100 - 74 - 2.6/8926=31, 8922=25...(12) Peak 10216 from cnoeabs.peaks (1.13, 3.12, 38.76 ppm; 5.18 A): 3 out of 4 assignments used, quality = 0.93: QB ALA 105 + HB3 PHE 106 OK 89 89 - 100 - 4.7=100 HD2 LYS 123 + HB3 PHE 106 OK 24 94 - 26 - 10222/4.6=9, 9232/3.0=8...(5) HG LEU 64 + HB3 PHE 106 OK 16 81 - 20 - 10222/4.6=16, 10164/10218=2 QG2 THR 18 - HB3 PHE 106 lone 4 77 - 5 - 10222/4.6=3 Peak 10218 from cnoeabs.peaks (4.02, 3.12, 38.76 ppm; 4.56 A): 3 out of 7 assignments used, quality = 0.94: HB2 SER 103 + HB3 PHE 106 OK 76 85 - 89 - 1.8/10145=31, 10147=28...(16) HB THR 107 + HB3 PHE 106 OK 61 98 - 63 - 4.1/3445=24, 9236/2.5=18...(7) HA VAL 63 + HB3 PHE 106 OK 34 99 - 34 - 10170=15, 10219/1.8=10...(5) HA GLU 81 - HB3 PHE 106 OK 25 100 - 25 - 10219/1.8=7, 2.9/6870=4...(8) HA LYS 123 - HB3 PHE 106 OK 24 100 - 24 - 4100/4.7=9, 10219/1.8=5...(5) HB3 SER 100 - HB3 PHE 106 lone 7 85 - 9 - 7258/4.6=4, 10217/4.0=2 HA GLU 37 - HB3 PHE 106 lone 5 100 - 5 - 10219/1.8=1 Peak 10219 from cnoeabs.peaks (4.03, 2.95, 38.76 ppm; 4.35 A): 4 out of 6 assignments used, quality = 0.73: HB THR 107 + HB2 PHE 106 OK 43 81 - 53 - 4.1/3437=22, 9236/2.5=12...(6) HA VAL 63 + HB2 PHE 106 OK 31 100 - 31 - 10170/1.8=12, 10169=10...(6) HA GLU 81 + HB2 PHE 106 OK 20 96 - 20 - 10218/1.8=4, ~6870=3...(10) HA LYS 123 + HB2 PHE 106 OK 14 89 - 16 - 4100/4.7=7, 10218/1.8=3...(4) HA GLU 37 - HB2 PHE 106 lone 3 94 - 3 - HA GLN 25 - HB2 PHE 106 lone 2 62 - 4 - 11460/4.0=1 Peak 10220 from cnoeabs.peaks (2.11, 3.72, 57.78 ppm; 4.98 A): 3 out of 5 assignments used, quality = 0.71: HB VAL 73 + HA LEU 108 OK 51 94 - 54 - 4.0/11257=9, 2.1/3470=7...(16) HB2 GLU 75 + HA LEU 108 OK 30 89 - 34 - 8630/4.0=12, 8630/3.8=10...(6) HB VAL 53 + HA LEU 108 OK 14 68 - 21 - 10627/3.6=8, 2.1/3466=4...(6) HG2 PRO 33 - HA LEU 108 lone 2 77 - 2 - HB3 GLU 142 - HA LEU 108 lone 1 62 - 2 - Peak 10221 from cnoeabs.peaks (2.11, 1.22, 21.95 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.68: HG2 GLN 111 + QG2 THR 107 OK 50 68 - 75 - 1.8/9254=29...(13) HB2 GLU 75 + QG2 THR 107 OK 26 96 - 27 - 1.8/9251=5, 8630/9246=5...(8) HB VAL 73 + QG2 THR 107 OK 13 99 - 14 - 2.1/9246=4, ~9244=2...(4) HG2 PRO 33 - QG2 THR 107 lone 2 62 - 3 - Peak 10223 from cnoeabs.peaks (0.60, 3.72, 57.78 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.76: QD1 ILE 56 + HA LEU 108 OK 67 100 - 67 - 11017=16, 2.1/3467=8...(23) QD1 LEU 132 + HA LEU 108 OK 29 77 - 38 - 10174/4.0=23, 9582=6...(5) Peak 10224 from cnoeabs.peaks (1.01, 3.72, 57.78 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.74: QD2 LEU 69 + HA LEU 108 OK 69 100 - 69 - 8477/4.0=33, ~9894=10...(16) QD2 LEU 116 + HA LEU 108 OK 16 100 - 16 - 10175/4.0=6...(5) Peak 10225 from cnoeabs.peaks (7.34, 0.73, 23.80 ppm; 4.59 A): 2 out of 3 assignments used, quality = 0.96: H ARG 109 + QD2 LEU 108 OK 94 99 - 95 - 7289=49, 3.6/3469=40...(18) H GLU 81 + QD2 LEU 108 OK 33 85 - 38 - 8776/8798=9, 9974/8810=8...(10) QD PHE 43 - QD2 LEU 108 OK 25 85 - 29 - 3500/2.1=5, 3471/4.0=5...(7) Peak 10226 from cnoeabs.peaks (7.21, 0.73, 23.80 ppm; 4.17 A): 4 out of 5 assignments used, quality = 0.81: HE3 TRP 88 + QD2 LEU 108 OK 70 96 - 73 - ~9916=20, 4.2/10069=13...(16) H GLU 37 + QD2 LEU 108 OK 22 89 - 25 - 9914/2.1=8, 9998/8810=3...(7) QD TYR 27 + QD2 LEU 108 OK 12 98 - 12 - 11013/10069=2...(4) QD PHE 45 + QD2 LEU 108 OK 10 62 - 16 - 9914/2.1=8, 10159/9221=3...(6) HE3 TRP 17 - QD2 LEU 108 lone 3 81 - 4 - 9914/2.1=1 Peak 10227 from cnoeabs.peaks (8.27, 0.76, 26.47 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.50: H LEU 39 + QD1 LEU 72 OK 38 100 - 39 - 4.1/2149=10, 6269/4.9=7...(13) H GLN 25 + QD1 LEU 72 OK 19 100 - 19 - 4.6/9910=6, 4.6/2152=4...(5) H GLY 143 - QD1 LEU 72 lone 8 98 - 8 - 3.6/9259=1 H ASP 32 - QD1 LEU 72 lone 3 72 - 4 - Peak 10228 from cnoeabs.peaks (7.22, 1.61, 26.57 ppm; 5.26 A): 3 out of 6 assignments used, quality = 0.75: QD PHE 45 + HG3 ARG 49 OK 41 65 - 63 - ~9804=26, ~9828=23...(5) QD PHE 45 + HG LEU 108 OK 37 99 - 37 - 9914/2.1=21...(5) H GLU 37 + HG LEU 108 OK 32 85 - 38 - 9914/2.1=22, 10550/3.0=9...(5) HE3 TRP 17 - HG LEU 108 lone 7 92 - 8 - 9914/2.1=4, 10550/3.0=3 H GLU 37 - HG3 ARG 49 poor 7 51 - 13 - 6215/3.0=3, 6222/3.0=2...(4) HE3 TRP 17 - HG3 ARG 49 lone 3 57 - 6 - 4770/3.0=4 Peak 10229 from cnoeabs.peaks (5.03, 0.76, 26.47 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.52: HG1 THR 92 + QD1 LEU 72 OK 52 89 - 59 - 4.1/10230=20...(10) Peak 10230 from cnoeabs.peaks (3.65, 0.76, 26.47 ppm; 3.23 A): 2 out of 3 assignments used, quality = 0.74: HA THR 92 + QD1 LEU 72 OK 53 99 - 53 - 4.1/10229=10, 3.2/9028=8...(18) HA2 GLY 94 + QD1 LEU 72 OK 46 81 - 56 - 3.0/8545=12, 1.8/9056=12...(10) HD3 PRO 12 - QD1 LEU 72 lone 7 100 - 7 - 4.8/2152=1 Peak 10231 from cnoeabs.peaks (1.29, 0.75, 26.39 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.57: QB ALA 104 + QD1 LEU 108 OK 52 85 - 61 - 9196/2.1=27, 10172=17...(10) HG LEU 87 + QD1 LEU 108 OK 11 85 - 12 - 11566/8798=2, 3.0/3513=1 HG13 ILE 58 - QD1 LEU 108 lone 7 100 - 7 - 3.2/10171=2 HG12 ILE 58 - QD1 LEU 108 lone 7 96 - 7 - 3.2/10171=2 HG12 ILE 83 - QD1 LEU 108 lone 3 68 - 5 - 10566/10569=1 HG3 LYS 24 - QD1 LEU 108 lone 2 72 - 2 - Peak 10232 from cnoeabs.peaks (1.99, 0.75, 26.39 ppm; 3.98 A): 3 out of 10 assignments used, quality = 0.96: QE MET 59 + QD1 LEU 108 OK 83 100 - 83 - 10408/2.1=44, 10569=19...(18) HB3 GLU 75 + QD1 LEU 108 OK 55 72 - 75 - 3.0/9258=28...(15) HB VAL 63 + QD1 LEU 108 OK 49 100 - 49 - 2.1/3511=7, 2.1/3511=5...(17) QE MET 113 - QD1 LEU 108 OK 33 100 - 33 - 9331/2.1=7, 9331=6...(10) HB2 GLN 111 - QD1 LEU 108 OK 19 92 - 21 - 3616/3.8=11, 10169=2...(5) HB2 GLU 142 - QD1 LEU 108 OK 17 98 - 18 - 3.0/9259=4, 10170/2.1=3...(6) QE MET 11 - QD1 LEU 108 OK 12 72 - 16 - 10592/3.8=5, 10598/2.1=2 HG3 PRO 52 - QD1 LEU 108 lone 4 77 - 6 - 3616/3.8=2 HB3 ARG 124 - QD1 LEU 108 lone 4 62 - 7 - HG3 GLU 122 - QD1 LEU 108 lone 3 62 - 5 - Peak 10233 from cnoeabs.peaks (6.82, 1.38, 29.64 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.97: HZ2 TRP 88 + HB2 ARG 109 OK 95 100 - 95 - 9267/3.0=30, ~9268=26...(24) QD PHE 67 + HB2 ARG 109 OK 41 100 - 41 - 9267/3.0=10, 4691/3.6=9...(6) HD22 ASN 54 - HB2 ARG 109 OK 14 62 - 22 - 10234/1.8=5, 9269/4.0=5...(5) HE21 GLN 133 - HB2 ARG 109 lone 4 62 - 6 - 5.3/10431=2, 11124/3.6=1 Peak 10234 from cnoeabs.peaks (6.83, 1.72, 29.64 ppm; 5.71 A): 2 out of 3 assignments used, quality = 0.98: HZ2 TRP 88 + HB3 ARG 109 OK 96 98 - 98 - 9267/3.0=34, ~9268=31...(18) QD PHE 67 + HB3 ARG 109 OK 46 92 - 50 - 10735/1.8=13...(7) HD22 ASN 54 - HB3 ARG 109 OK 27 89 - 30 - 9267/3.0=11, 9269/4.0=8...(5) Peak 10235 from cnoeabs.peaks (6.83, 1.58, 26.88 ppm; 5.10 A): 3 out of 3 assignments used, quality = 0.94: HZ2 TRP 88 + HG3 ARG 109 OK 87 98 - 89 - 9267/3.9=26...(16) QD PHE 67 + HG3 ARG 109 OK 40 92 - 43 - 10741/3.0=10...(6) HD22 ASN 54 + HG3 ARG 109 OK 22 89 - 24 - 9267/3.9=8, 9269/4.3=7...(5) Peak 10237 from cnoeabs.peaks (0.87, 3.30, 43.65 ppm; 4.38 A): 3 out of 7 assignments used, quality = 0.60: QG2 ILE 136 + HD3 ARG 109 OK 42 81 - 52 - 3.0/9668=14, 10333=14...(9) HB3 LEU 42 + HD3 ARG 109 OK 21 100 - 21 - 11060=10, ~8150=5...(5) QD1 LEU 97 + HD3 ARG 109 OK 13 89 - 15 - ~9126=8, ~9126=2, 3228/11060=1 QD1 LEU 64 - HD3 ARG 109 poor 8 77 - 11 - 11060=5, 2541/10030=2 QG2 ILE 56 - HD3 ARG 109 lone 8 96 - 8 - 9185/1.8=2, 9901/9274=1 QG2 ILE 101 - HD3 ARG 109 lone 7 81 - 8 - 9185/1.8=1, 9220/9211=1 QD1 ILE 101 - HD3 ARG 109 lone 5 68 - 7 - ~9185=1 Peak 10238 from cnoeabs.peaks (1.31, 3.30, 43.65 ppm; 4.71 A): 3 out of 5 assignments used, quality = 0.95: HG12 ILE 83 + HD3 ARG 109 OK 65 89 - 73 - 2.1/10030=34...(12) HG2 LYS 85 + HD3 ARG 109 OK 64 94 - 68 - 3.0/3579=8, 2611/3.0=6...(30) HG LEU 79 + HD3 ARG 109 OK 61 96 - 64 - 11019=14, 2.1/9275=14...(22) HG LEU 87 - HD3 ARG 109 OK 10 72 - 14 - 11019=3, ~8890=3...(4) HG3 LYS 24 - HD3 ARG 109 lone 5 85 - 6 - 11019=1 Peak 10240 from cnoeabs.peaks (3.71, 1.03, 21.21 ppm; 3.91 A): 3 out of 5 assignments used, quality = 0.83: HA THR 107 + QG2 THR 110 OK 69 99 - 70 - 9241=33, 3452/2.1=30...(8) HA LEU 108 + QG2 THR 110 OK 39 96 - 41 - 3472/4.4=14...(5) HA ILE 136 + QG2 THR 110 OK 13 92 - 14 - 3.7/9289=3, 3593/2.1=3...(4) HB THR 74 - QG2 THR 110 lone 8 100 - 8 - 3593/2.1=3, 7320/4.4=2 HA ILE 91 - QG2 THR 110 lone 3 68 - 5 - Peak 10241 from cnoeabs.peaks (8.11, 1.03, 21.21 ppm; 6.58 A): 2 out of 2 assignments used, quality = 0.64: H TYR 115 + QG2 THR 110 OK 48 94 - 51 - 4.6/7442=9, 4.5/4727=8...(14) H LEU 87 + QG2 THR 110 OK 29 99 - 30 - 3.0/9293=13, 7000/3.0=4...(7) Peak 10242 from cnoeabs.peaks (6.88, 1.03, 21.21 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.60: HE21 GLN 111 + QG2 THR 110 OK 60 100 - 61 - 1.7/9294=41, 6.8/3603=11...(6) HE22 GLN 47 - QG2 THR 110 lone 3 100 - 3 - HE21 GLN 25 - QG2 THR 110 lone 1 81 - 1 - HZ PHE 23 - QG2 THR 110 lone 1 100 - 1 - HD2 HIS 14 - QG2 THR 110 lone 1 62 - 1 - Peak 10243 from cnoeabs.peaks (7.19, 4.64, 57.42 ppm; 3.50 A): 0 out of 3 assignments used, low quality = 0.14: H LYS 36 - HA GLN 111 OK 14 100 - 15 - 11711/2.9=6, 10179=5 QD TYR 27 - HA GLN 111 lone 4 85 - 5 - 10179=3 HE3 TRP 88 - HA GLN 111 lone 2 89 - 2 - Peak 10244 from cnoeabs.peaks (0.77, 3.25, 38.88 ppm; 5.59 A): 4 out of 7 assignments used, quality = 0.96: QD1 LEU 79 + HB2 TYR 112 OK 75 81 - 92 - ~8717=37, ~8717=33...(12) QG2 THR 74 + HB2 TYR 112 OK 48 72 - 67 - ~2192=12, 3.2/3668=11...(13) QG2 VAL 73 + HB2 TYR 112 OK 47 62 - 75 - ~8551=34, 8553/2.7=22...(7) QD1 ILE 136 + HB2 TYR 112 OK 40 68 - 60 - 2.1/9304=16, ~9301=11...(9) QD2 LEU 72 - HB2 TYR 112 OK 28 89 - 32 - 4712/2.7=6, 10183/1.8=6...(8) QD1 LEU 72 - HB2 TYR 112 OK 22 72 - 31 - 9307/2.7=5, ~9307=5...(10) QD2 LEU 95 - HB2 TYR 112 OK 18 94 - 19 - 9298/4.0=4, 10183/1.8=4...(6) Peak 10245 from cnoeabs.peaks (8.38, 3.91, 62.06 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.73: H LEU 116 + HA TYR 112 OK 73 100 - 73 - 9381=26, 4.6/10223=17...(15) Peak 10246 from cnoeabs.peaks (7.15, 4.00, 60.14 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.81: QD TYR 117 + HA MET 113 OK 63 92 - 69 - 2.7/10257=27...(12) QE TYR 115 + HA MET 113 OK 48 98 - 49 - 9311/3.6=16, 11595/3.7=6...(18) Peak 10248 from cnoeabs.peaks (6.93, 1.99, 15.64 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.75: QD TYR 112 + QE MET 113 OK 59 100 - 59 - 4.9/3722=32, 9309/5.4=21...(9) QD PHE 23 + QE MET 113 OK 39 92 - 42 - 10187=19, 10822/3.3=6...(10) Peak 10249 from cnoeabs.peaks (6.81, 1.99, 15.64 ppm; 4.76 A): 4 out of 4 assignments used, quality = 0.59: HZ2 TRP 88 + QE MET 113 OK 37 81 - 45 - 10188=19, 4.3/10250=17...(8) QD PHE 67 + QE MET 113 OK 15 92 - 16 - 10188=8, 10222/9333=3...(4) HE21 GLN 133 + QE MET 113 OK 14 98 - 14 - 9664/9331=4, 9665/9332=3 HD21 ASN 96 + QE MET 113 OK 12 89 - 13 - 3.5/9338=5, 3.5/3727=3...(4) Peak 10250 from cnoeabs.peaks (6.54, 1.99, 15.64 ppm; 5.52 A): 0 out of 2 assignments used, low quality = 0.20: HZ3 TRP 88 - QE MET 113 OK 20 68 - 29 - 4.3/10188=23...(5) HE22 GLN 22 - QE MET 113 lone 6 85 - 7 - 10416/9329=3 Peak 10251 from cnoeabs.peaks (8.43, 1.99, 15.64 ppm; 5.59 A): 0 out of 1 assignment used, low quality = 0.17: H LYS 61 - QE MET 113 OK 17 89 - 20 - 4.9/9335=5, 4.9/9335=4...(6) Peak 10252 from cnoeabs.peaks (7.75, 1.99, 15.64 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.60: H GLU 90 + QE MET 113 OK 60 96 - 63 - 4.6/3726=16, 4.6/3725=13...(11) Peak 10255 from cnoeabs.peaks (0.78, 2.75, 32.48 ppm; 5.52 A): 1 out of 4 assignments used, quality = 0.94: QD1 LEU 79 + HG3 MET 113 OK 94 99 - 95 - 2.1/9327=50, ~9326=36...(19) QG2 THR 74 - HG3 MET 113 OK 23 96 - 24 - 9316/5.2=7, 9318/3.7=5...(6) QD2 LEU 95 - HG3 MET 113 OK 21 100 - 21 - 2402/9327=5, 9316/5.2=4...(5) QD2 LEU 126 - HG3 MET 113 OK 14 72 - 19 - 9316/5.2=5, 2395/9327=3...(6) Peak 10256 from cnoeabs.peaks (3.23, 4.00, 60.14 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.47: HB3 TYR 117 + HA MET 113 OK 47 68 - 69 - 1.8/10257=37...(7) HD3 ARG 124 - HA MET 113 poor 7 62 - 12 - 8726/9319=4, 8197/3.6=2, ~9313=1 HD2 ARG 140 - HA MET 113 lone 7 89 - 8 - HD3 ARG 89 - HA MET 113 lone 7 100 - 7 - ~7379=3 Peak 10257 from cnoeabs.peaks (3.46, 4.00, 60.14 ppm; 4.67 A): 0 out of 3 assignments used, low quality = 0.45: HB2 TYR 117 - HA MET 113 OK 45 77 - 58 - 1.8/10256=25...(5) HB3 PHE 45 - HA MET 113 lone 4 100 - 4 - 7457/11700=1, 4666/10246=1 HA LEU 42 - HA MET 113 lone 2 62 - 4 - Peak 10258 from cnoeabs.peaks (7.30, 1.65, 33.25 ppm; 4.32 A): 3 out of 5 assignments used, quality = 0.94: QD TYR 115 + HB2 LYS 114 OK 86 96 - 89 - 2.2/10200=22...(21) H ASP 30 + HB2 LYS 114 OK 40 92 - 43 - 10201/1.8=9, 6132/3.6=6...(11) H ARG 35 + HB2 LYS 114 OK 35 81 - 43 - 10260/1.8=8, 10262/2.9=7...(11) H PHE 67 - HB2 LYS 114 OK 32 89 - 36 - 11233/2.9=12...(9) HZ2 TRP 17 - HB2 LYS 114 lone 1 62 - 1 - Peak 10259 from cnoeabs.peaks (7.17, 1.65, 33.25 ppm; 5.80 A): 1 out of 1 assignment used, quality = 0.72: QE TYR 115 + HB2 LYS 114 OK 72 72 - 99 - 9342/3.6=45...(29) Peak 10260 from cnoeabs.peaks (7.30, 1.44, 33.25 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.96: QD TYR 115 + HB3 LYS 114 OK 93 100 - 93 - 10201=24, 2.2/10261=17...(29) H ASP 30 + HB3 LYS 114 OK 45 98 - 47 - 10201=12, 10258/1.8=7...(11) H ARG 35 - HB3 LYS 114 OK 42 92 - 45 - 10262/2.9=7, 10258/1.8=7...(13) H PHE 67 - HB3 LYS 114 OK 29 77 - 37 - 11233/2.9=9, 10201=8...(12) Peak 10261 from cnoeabs.peaks (7.15, 1.44, 33.25 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.95: QE TYR 115 + HB3 LYS 114 OK 86 89 - 97 - 10206/3.6=30...(26) QD TYR 117 + HB3 LYS 114 OK 58 99 - 58 - 10204/2.9=23...(8) QD PHE 106 + HB3 LYS 114 OK 11 77 - 14 - ~11240=9, ~4833=2, ~10264=1 Peak 10262 from cnoeabs.peaks (7.30, 0.45, 24.49 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.99: QD TYR 115 + HG2 LYS 114 OK 98 100 - 98 - 2.2/9358=32, 4.5/7422=25...(34) H ARG 35 + HG2 LYS 114 OK 55 92 - 60 - 4.6/10263=22...(14) H ASP 30 - HG2 LYS 114 OK 45 98 - 46 - 10201/2.9=9, 6132/2.9=9...(10) H PHE 67 - HG2 LYS 114 OK 27 77 - 35 - 11233/1.8=12...(8) Peak 10263 from cnoeabs.peaks (7.18, 0.45, 24.49 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.29: H LYS 36 - HG2 LYS 114 OK 29 81 - 35 - 10202/2.9=10...(7) Peak 10264 from cnoeabs.peaks (7.30, 1.05, 24.49 ppm; 5.39 A): 3 out of 6 assignments used, quality = 0.96: QD TYR 115 + HG3 LYS 114 OK 85 85 - 99 - 2.2/10265=42, ~9358=32...(33) H PHE 67 + HG3 LYS 114 OK 55 98 - 56 - 11233=21, 10201/2.9=9...(12) H ASP 30 + HG3 LYS 114 OK 38 77 - 49 - 10201/2.9=9, 4.2/3783=9...(10) H ARG 35 - HG3 LYS 114 OK 36 62 - 57 - 10262/1.8=10, 2.8/585=9...(14) QE PHE 106 - HG3 LYS 114 OK 15 68 - 23 - 11240=12, 2.2/10204=7...(4) HZ2 TRP 17 - HG3 LYS 114 lone 2 81 - 2 - Peak 10265 from cnoeabs.peaks (7.16, 1.05, 24.49 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 115 + HG3 LYS 114 OK 95 96 - 99 - 9342/2.9=41, 9358/1.8=39...(34) Peak 10266 from cnoeabs.peaks (8.12, 1.05, 24.49 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.96: H TYR 115 + HG3 LYS 114 OK 90 100 - 90 - 7422/1.8=43, 3752/2.9=25...(17) H LEU 87 + HG3 LYS 114 OK 63 100 - 64 - 3764/2.9=16, 3752/2.9=14...(16) Peak 10267 from cnoeabs.peaks (4.64, 1.05, 24.49 ppm; 5.07 A): 4 out of 6 assignments used, quality = 0.99: HA ASN 139 + HG3 LYS 114 OK 78 100 - 79 - 9339/2.9=17, 9340/2.9=10...(23) HA GLN 111 + HG3 LYS 114 OK 73 99 - 74 - 3615/2.9=26, 3741/2.9=19...(11) HA LEU 87 + HG3 LYS 114 OK 64 92 - 69 - 3.0/10266=16...(16) HG1 THR 110 + HG3 LYS 114 OK 60 99 - 61 - ~10638=17, ~9290=10...(15) HA ASP 32 - HG3 LYS 114 OK 24 98 - 25 - ~10805=6, ~8091=6...(7) HA GLN 62 - HG3 LYS 114 lone 4 68 - 6 - 9339/2.9=2 Peak 10268 from cnoeabs.peaks (7.33, 1.41, 29.25 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.62: H GLU 81 + HD2 LYS 114 OK 48 98 - 49 - 10207=21, 10199/3.6=7...(11) H ARG 35 + HD2 LYS 114 OK 27 68 - 40 - 10274/1.8=7, 2.8/583=7...(12) Peak 10270 from cnoeabs.peaks (7.83, 2.70, 40.90 ppm; 5.13 A): 1 out of 14 assignments used, quality = 0.77: H TRP 17 + HB3 ASP 16 OK 77 77 - 100 - 4.6=100 H SER 44 - HB3 ASP 16 poor 10 85 - 11 - 10961/1.8=2, 3.6/965=2...(5) H LEU 26 - HB3 TYR 115 poor 9 74 - 12 - ~10215=6, ~492=3 H SER 44 - HB3 TYR 115 poor 7 57 - 12 - 3.6/964=3, 4.5/985=2...(5) H LEU 26 - HB3 ASP 16 lone 6 100 - 6 - 10961/1.8=2, 6040/4.0=2 H TRP 17 - HB3 TYR 115 poor 5 50 - 11 - 3.6/152=3, 4.6/157=2...(4) H ARG 55 - HB3 ASP 16 lone 4 68 - 6 - 10961/1.8=1 H THR 110 - HB3 ASP 16 lone 4 100 - 4 - 10961/1.8=1 H TYR 27 - HB3 TYR 115 lone 3 68 - 5 - ~10853=3 H THR 110 - HB3 TYR 115 lone 3 73 - 4 - 4.0/9363=1 H TYR 27 - HB3 ASP 16 lone 2 96 - 2 - H GLY 94 - HB3 ASP 16 lone 1 68 - 1 - H GLY 94 - HB3 TYR 115 lone 1 43 - 2 - H ARG 55 - HB3 TYR 115 lone 1 43 - 2 - Peak 10271 from cnoeabs.peaks (7.31, 2.82, 42.01 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.95: QD TYR 115 + HE3 LYS 114 OK 92 99 - 93 - 2.2/8139=29, ~9342=24...(22) H ARG 35 + HE3 LYS 114 OK 40 100 - 40 - 6178/3.0=8, 6185/3.0=7...(11) H ASP 30 - HE3 LYS 114 OK 39 100 - 39 - 6132/3.0=9, 4.2/3827=7...(9) Peak 10272 from cnoeabs.peaks (7.30, 2.76, 42.01 ppm; 4.50 A): 3 out of 12 assignments used, quality = 0.95: QD TYR 115 + HE2 LYS 114 OK 88 98 - 90 - ~9342=22, ~10206=21...(20) H ASP 30 + HE2 LYS 114 OK 37 94 - 39 - 10209/1.8=9, 6132/3.0=8...(10) H ARG 35 + HE2 LYS 114 OK 33 85 - 38 - 10271/1.8=7, 10262/3.7=7...(10) H PHE 67 - HE2 LYS 114 OK 25 85 - 30 - 11233/3.7=10...(7) QD TYR 115 - HE2 LYS 76 OK 20 86 - 23 - 2.2/8140=5, ~8140=4...(8) QD TYR 115 - HE3 LYS 76 OK 19 82 - 23 - 2.2/8140=5, ~8140=4...(8) H ASP 30 - HE2 LYS 76 OK 16 81 - 20 - 6131/3.0=4, 6131/3.9=4...(5) H ASP 30 - HE3 LYS 76 OK 15 77 - 20 - 6131/3.0=4, 6131/3.9=4...(5) H PHE 67 - HE2 LYS 76 lone 7 72 - 9 - 6649/5.1=2, 11233/3784=1 H PHE 67 - HE3 LYS 76 lone 6 68 - 9 - 6649/5.1=2, 11233/3784=1 H ARG 35 - HE2 LYS 76 lone 4 72 - 6 - H ARG 35 - HE3 LYS 76 lone 4 68 - 6 - Peak 10274 from cnoeabs.peaks (7.32, 1.49, 29.25 ppm; 5.45 A): 4 out of 4 assignments used, quality = 0.94: QD TYR 115 + HD3 LYS 114 OK 67 68 - 99 - ~9342=40, ~10206=37...(25) H ARG 35 + HD3 LYS 114 OK 50 89 - 56 - 10268/1.8=16, 6178=8...(15) H GLU 81 + HD3 LYS 114 OK 42 85 - 49 - 10268/1.8=29...(8) H ASP 30 + HD3 LYS 114 OK 41 77 - 54 - 10203/2.9=9, 4.2/350=8...(13) Peak 10275 from cnoeabs.peaks (2.26, 2.76, 42.01 ppm; 4.49 A): 5 out of 21 assignments used, quality = 0.95: HG3 GLU 90 + HE2 LYS 76 OK 56 89 - 63 - 1.8/10073=17, ~10073=15...(13) HG3 GLU 90 + HE3 LYS 76 OK 53 85 - 63 - 1.8/10073=19, ~10073=14...(13) HB3 MET 113 + HE2 LYS 114 OK 40 81 - 49 - 4.7/3809=7, 4.1/7387=5...(19) HG2 MET 113 + HE2 LYS 76 OK 38 75 - 51 - 3711=5, 3711/1.8=4...(28) HG2 MET 113 + HE3 LYS 76 OK 37 71 - 52 - 3711/1.8=6, 3.3/10276=4...(28) HG2 MET 113 - HE2 LYS 114 OK 34 89 - 39 - 7400/7.0=5, 3.0/3703=4...(18) HB3 MET 113 - HE2 LYS 76 OK 33 68 - 49 - 1.8/3694=5, 3.0/3711=5...(25) HB3 MET 113 - HE3 LYS 76 OK 31 64 - 49 - 3703/1.8=4, ~3694=4...(25) HG2 GLU 90 - HE2 LYS 76 OK 29 60 - 49 - 10073/1.8=12, 10073=10...(9) HG2 GLU 90 - HE3 LYS 76 OK 27 56 - 49 - 10073=12, 10073/1.8=11...(10) HG3 GLU 90 - HE2 LYS 114 OK 18 100 - 18 - 1.8/10073=5, 7400/7.0=2...(5) HG3 PRO 129 - HE2 LYS 114 OK 12 100 - 11 - 10382/1.8=2, ~10283=2...(5) HG2 GLU 90 - HE2 LYS 114 poor 9 72 - 12 - 10073=3, 3.0/10072=2...(4) HG2 GLU 131 - HE2 LYS 114 lone 6 68 - 9 - 9567=1, ~9556=1, ~9561=1...(5) HG2 GLU 131 - HE2 LYS 76 lone 5 55 - 10 - 9567=2, 10406/5.1=2...(5) HG2 GLU 131 - HE3 LYS 76 lone 5 52 - 10 - 9567/1.8=2, 10406/5.1=2...(5) HG3 PRO 129 - HE2 LYS 76 lone 4 89 - 5 - HG3 PRO 129 - HE3 LYS 76 lone 4 85 - 4 - HG3 GLU 142 - HE2 LYS 76 lone 2 55 - 4 - HG3 GLU 142 - HE3 LYS 76 lone 2 52 - 4 - HG3 GLU 142 - HE2 LYS 114 lone 2 68 - 3 - Peak 10276 from cnoeabs.peaks (1.99, 2.76, 42.01 ppm; 4.13 A): 9 out of 30 assignments used, quality = 0.93: HB3 GLU 90 + HE2 LYS 76 OK 37 68 - 55 - 3.0/10073=12, ~10073=10...(11) QE MET 113 + HE2 LYS 76 OK 37 90 - 41 - 9334/3.0=5, 3727=5...(15) QE MET 113 + HE2 LYS 114 OK 36 100 - 36 - 3729/7.0=6, 3727=4...(13) HB3 GLU 90 + HE3 LYS 76 OK 35 64 - 55 - 3.0/10073=14...(11) QE MET 113 + HE3 LYS 76 OK 34 86 - 40 - 3727/1.8=6, 9334/3.0=5...(12) HB2 GLN 111 + HE2 LYS 114 OK 16 100 - 16 - ~10205=6, ~9340=3...(5) QE MET 11 + HE2 LYS 114 OK 12 92 - 13 - 10599/3.0=6, 10600/3.7=4 HB VAL 63 + HE2 LYS 76 OK 11 87 - 12 - 8356/3.9=4, 2.1/10932=2 HB3 GLU 90 + HE2 LYS 114 OK 10 81 - 12 - 3.0/10073=4, 1.8/10072=2...(4) HB VAL 63 - HE3 LYS 76 poor 10 84 - 12 - 8356/3.9=4, 2.1/10932=2 QE MET 59 - HE2 LYS 76 lone 7 86 - 8 - 10408/11719=4, ~10576=1 QE MET 59 - HE3 LYS 76 lone 6 82 - 8 - 10408/11719=4, ~10576=1 HB VAL 63 - HE2 LYS 114 lone 5 99 - 6 - 2.1/10932=1 HG3 GLU 122 - HE2 LYS 76 lone 5 72 - 7 - 4089/3.9=1 HG3 GLU 122 - HE3 LYS 76 lone 4 68 - 6 - 4089/3.9=1 QE MET 59 - HE2 LYS 114 lone 4 98 - 4 - 10408/11719=1 HG3 PRO 52 - HE2 LYS 114 lone 4 94 - 4 - 9288/9287=1 HB2 GLN 111 - HE2 LYS 76 lone 4 89 - 5 - HB2 GLN 111 - HE3 LYS 76 lone 4 85 - 5 - HG3 GLU 122 - HE2 LYS 114 lone 4 85 - 4 - HB2 GLU 142 - HE2 LYS 76 lone 3 72 - 5 - HB3 GLU 37 - HE2 LYS 114 lone 3 57 - 6 - 3.0/758=2, ~757=1, ~757=1 HB2 GLU 142 - HE3 LYS 76 lone 3 68 - 5 - QE MET 11 - HE2 LYS 76 lone 3 78 - 4 - QE MET 11 - HE3 LYS 76 lone 3 75 - 4 - HG3 PRO 52 - HE2 LYS 76 lone 3 81 - 3 - HB2 GLU 142 - HE2 LYS 114 lone 2 85 - 3 - HG3 PRO 52 - HE3 LYS 76 lone 2 77 - 3 - HB3 GLU 37 - HE2 LYS 76 lone 2 46 - 3 - HB3 GLU 37 - HE3 LYS 76 lone 1 43 - 3 - Peak 10277 from cnoeabs.peaks (2.41, 4.51, 60.60 ppm; 3.54 A): 3 out of 7 assignments used, quality = 0.72: QE MET 46 + HA TYR 115 OK 64 96 - 66 - 10488=34, 10479/3.0=11...(10) HG3 GLN 133 + HA TYR 115 OK 12 90 - 13 - 10212=5, 1.8/10212=4...(4) HG2 GLN 133 + HA TYR 115 OK 12 88 - 13 - 10212=5, 1.8/10212=4...(4) HB3 PRO 118 - HA TYR 115 lone 7 95 - 7 - 10212=2 HG3 GLN 25 - HA TYR 115 lone 3 73 - 5 - 9370/3.0=1, 9349/5.7=1 HG2 GLN 47 - HA TYR 115 lone 2 73 - 3 - HG3 GLN 47 - HA TYR 115 lone 2 73 - 3 - Peak 10278 from cnoeabs.peaks (1.04, 4.51, 60.60 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: HB2 LEU 116 + HA TYR 115 OK 96 98 - 98 - 7442/3.6=33, ~9366=26...(22) HG13 ILE 91 + HA TYR 115 OK 64 81 - 79 - ~10642=24, 1.8/10213=15...(18) HG3 LYS 114 + HA TYR 115 OK 54 59 - 92 - ~7422=45, ~3752=26...(15) QG2 THR 110 + HA TYR 115 OK 46 90 - 51 - 10241/3.0=22...(9) Peak 10279 from cnoeabs.peaks (0.51, 4.51, 60.60 ppm; 4.18 A): 0 out of 1 assignment used, low quality = 0.38: QD1 LEU 42 - HA TYR 115 OK 38 81 - 46 - 11435/3.6=15...(6) Peak 10280 from cnoeabs.peaks (4.33, 2.69, 41.04 ppm; 4.41 A): 4 out of 9 assignments used, quality = 0.80: HA PRO 12 + HB3 ASP 13 OK 46 79 - 58 - 75/3.8=33, 8003/1.8=29...(5) HA TYR 70 + HB3 ASP 13 OK 35 79 - 44 - 10602/3.0=17...(8) HA PRO 12 + HB3 TYR 115 OK 32 100 - 32 - 3.5/6012=10...(10) HA TYR 70 + HB3 TYR 115 OK 16 100 - 16 - 8479/10217=3...(7) HA ILE 56 - HB3 ASP 13 poor 9 42 - 20 - 10602/3.0=7, ~8007=5...(6) HA ILE 56 - HB3 TYR 115 lone 3 62 - 5 - 4.2/8024=2 HA PRO 12 - HB3 ASP 16 lone 2 75 - 3 - 3.5/6012=1 HA TYR 70 - HB3 ASP 16 lone 2 75 - 3 - HA ILE 56 - HB3 ASP 16 lone 0 39 - 1 - Peak 10281 from cnoeabs.peaks (1.49, 7.16, 118.50 ppm; 4.25 A): 2 out of 5 assignments used, quality = 0.98: HD3 LYS 114 + QE TYR 115 OK 94 98 - 96 - 1.8/9342=35, 9341=29...(23) HB3 LEU 29 + QE TYR 115 OK 61 99 - 62 - 3.2/9356=13, 362/2.2=10...(20) HG13 ILE 101 - QE TYR 115 OK 33 99 - 33 - 2.1/4722=8, 3.2/4722=7...(11) QB ALA 134 - QE TYR 115 OK 16 87 - 18 - 4.0/4748=2, 10324/4.5=2...(6) HG2 LYS 34 - QE TYR 115 OK 16 80 - 20 - 11171/2.2=3, 1.8/4719=3...(6) Peak 10282 from cnoeabs.peaks (0.63, 7.16, 118.50 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.79: QD2 LEU 64 + QE TYR 115 OK 67 98 - 69 - 9884=31, 9883/2.2=16...(18) QD1 LEU 126 + QE TYR 115 OK 37 99 - 37 - 10350/9929=11...(8) Peak 10283 from cnoeabs.peaks (8.13, 7.16, 118.50 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.95: H TYR 115 + QE TYR 115 OK 91 93 - 98 - 6.5=58, 3.0/10208=32...(25) H LEU 87 + QE TYR 115 OK 47 83 - 56 - 10284/2.2=13, 3.0/4715=9...(15) H HIS 14 - QE TYR 115 OK 30 80 - 37 - 3.0/9344=11, 4714/2.2=10...(6) Peak 10284 from cnoeabs.peaks (8.12, 7.31, 132.50 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: H TYR 115 + QD TYR 115 OK 100 100 - 100 - 4.5=100 H LEU 87 + QD TYR 115 OK 55 99 - 56 - 3839/2.5=12, 3831/3.7=12...(12) Peak 10285 from cnoeabs.peaks (8.63, 0.99, 27.97 ppm; 5.61 A): 2 out of 2 assignments used, quality = 0.95: H LEU 69 + QD1 LEU 116 OK 85 100 - 85 - 4.7/10228=22...(24) H LEU 42 + QD1 LEU 116 OK 65 98 - 67 - 10733/2.1=23, 10221=16...(17) Peak 10286 from cnoeabs.peaks (8.63, 1.01, 24.27 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.98: H LEU 69 + QD2 LEU 116 OK 87 100 - 87 - 4.0/9403=24...(16) H LEU 42 + QD2 LEU 116 OK 84 98 - 86 - 5.1/9392=36, 4.4/9391=34...(19) Peak 10289 from cnoeabs.peaks (3.90, 0.99, 27.97 ppm; 4.17 A): 3 out of 3 assignments used, quality = 0.94: HA TYR 112 + QD1 LEU 116 OK 85 96 - 88 - 10223=37, 10245/4.6=21...(24) HA MET 46 + QD1 LEU 116 OK 51 98 - 53 - 3.0/9374=19, 4.1/10694=7...(11) HD3 PRO 98 + QD1 LEU 116 OK 12 92 - 13 - 1.8/10695=3, 8195/2.1=2...(4) Peak 10290 from cnoeabs.peaks (2.94, 1.01, 24.27 ppm; 4.47 A): 4 out of 12 assignments used, quality = 0.92: HB2 TYR 115 + QD2 LEU 116 OK 77 85 - 90 - 9366=26, 4.7/3894=25...(20) HE3 LYS 93 + QD2 LEU 116 OK 31 100 - 31 - 10225=4, 3.8/3898=4...(12) HB3 PHE 67 + QD2 LEU 116 OK 28 81 - 35 - 2.6/10222=10, 10225=5...(9) HE2 LYS 93 + QD2 LEU 116 OK 27 89 - 31 - 10225=5, 3.8/3898=4...(14) HE3 LYS 48 - QD2 LEU 116 OK 19 96 - 20 - 10225=3, 4.9/9378=3...(8) HE3 LYS 85 - QD2 LEU 116 OK 18 100 - 18 - 10225=3, 2.9/11090=2...(6) HE2 LYS 48 - QD2 LEU 116 OK 17 85 - 20 - 10225=3, 4.9/9378=3...(8) HE2 LYS 85 - QD2 LEU 116 OK 16 92 - 18 - 10225=3, 2.9/11090=2...(5) HE3 LYS 61 - QD2 LEU 116 lone 5 96 - 5 - 8149/8143=2 HE2 LYS 61 - QD2 LEU 116 lone 5 96 - 5 - 8149/8143=2 HB2 PHE 106 - QD2 LEU 116 lone 4 81 - 5 - HB3 ASN 130 - QD2 LEU 116 lone 2 98 - 2 - Peak 10291 from cnoeabs.peaks (3.90, 1.04, 44.17 ppm; 5.78 A): 3 out of 3 assignments used, quality = 0.88: HA TYR 112 + HB2 LEU 116 OK 65 77 - 84 - 10245/3.9=28...(13) HA MET 46 + HB2 LEU 116 OK 59 100 - 59 - ~9374=19, 11005/3.1=15...(8) HD3 PRO 98 + HB2 LEU 116 OK 15 100 - 15 - 8195/3.0=4, ~10695=4...(4) Peak 10292 from cnoeabs.peaks (3.82, 1.01, 24.27 ppm; 5.17 A): 3 out of 6 assignments used, quality = 0.99: HA LEU 66 + QD2 LEU 116 OK 92 100 - 92 - 8390=28, 3.0/11090=20...(32) HA THR 110 + QD2 LEU 116 OK 65 85 - 76 - 3.2/3896=11, 3588/3.2=10...(25) HD2 PRO 118 + QD2 LEU 116 OK 47 96 - 48 - 4.8/3901=20, 9375=7...(11) HA GLN 133 - QD2 LEU 116 OK 27 85 - 32 - 9616/2.1=9, 9375=5...(10) HB2 SER 100 - QD2 LEU 116 OK 17 92 - 18 - 8465/2042=4, 9372/2.1=3...(6) HA3 GLY 50 - QD2 LEU 116 OK 12 100 - 12 - 9337/9333=2, 8465/2042=2 Peak 10293 from cnoeabs.peaks (3.92, 1.01, 24.27 ppm; 6.07 A): 2 out of 3 assignments used, quality = 0.99: HA TYR 112 + QD2 LEU 116 OK 97 99 - 98 - 10223/2.1=43...(26) HA MET 46 + QD2 LEU 116 OK 50 62 - 80 - ~9374=25, 10696=17...(14) HD2 PRO 129 - QD2 LEU 116 OK 27 94 - 29 - 10696=7, 9395/3.2=6...(6) Peak 10295 from cnoeabs.peaks (1.88, 0.99, 27.97 ppm; 3.68 A): 5 out of 10 assignments used, quality = 0.81: HB3 LYS 93 + QD1 LEU 116 OK 38 96 - 39 - 10229=11, 3039/2.1=4...(14) HB2 LYS 36 + QD1 LEU 116 OK 36 77 - 47 - 10229=9, 9378/2.1=6...(17) HB3 ARG 140 + QD1 LEU 116 OK 34 94 - 36 - 10229=10, 3.4/11091=9...(8) HB3 LYS 48 + QD1 LEU 116 OK 18 85 - 21 - 10229=5, 9378/2.1=3...(7) HB2 LYS 48 + QD1 LEU 116 OK 11 57 - 20 - 1.8/10229=4, 9378/2.1=3...(7) HB3 GLN 111 - QD1 LEU 116 poor 10 72 - 14 - 4.6/9297=4, 10229=3...(4) HB3 ARG 89 - QD1 LEU 116 poor 8 62 - 13 - 3.5/11091=3, 10229=3 HB2 LYS 24 - QD1 LEU 116 lone 6 62 - 10 - 3.0/10690=2, 1.8/10229=2 HB2 ARG 144 - QD1 LEU 116 lone 5 72 - 7 - 9378/2.1=1, 10514/9398=1 HB3 ARG 141 - QD1 LEU 116 lone 5 100 - 5 - 10229=1 Peak 10296 from cnoeabs.peaks (1.17, 0.99, 27.97 ppm; 3.77 A): 4 out of 5 assignments used, quality = 0.95: QD1 LEU 69 + QD1 LEU 116 OK 88 100 - 88 - 10228=28, 2042/2.1=17...(37) HB2 LEU 72 + QD1 LEU 116 OK 28 100 - 28 - 10228=8, 3.2/10227=4...(9) HG2 LYS 76 + QD1 LEU 116 OK 25 99 - 25 - 5.1/9397=5, 10228=3...(9) QD1 LEU 26 + QD1 LEU 116 OK 21 81 - 25 - ~10571=4, ~10231=2...(9) QG2 THR 92 - QD1 LEU 116 poor 9 68 - 14 - 11578/9371=2, 9891/9393=2 Peak 10297 from cnoeabs.peaks (0.80, 1.01, 24.27 ppm; 3.80 A): 3 out of 4 assignments used, quality = 0.68: HG LEU 42 + QD2 LEU 116 OK 52 62 - 83 - 2.1/9392=42, 2.1/9391=33...(16) QG1 VAL 80 + QD2 LEU 116 OK 24 99 - 25 - 3.2/9376=5, ~9373=4...(9) QD2 LEU 126 + QD2 LEU 116 OK 11 85 - 13 - 3.1/11090=2, 8470/2026=1 QD1 LEU 95 - QD2 LEU 116 poor 8 57 - 14 - 958/9392=4, 950/8143=2...(5) Peak 10298 from cnoeabs.peaks (0.63, 3.45, 37.52 ppm; 6.43 A): 3 out of 3 assignments used, quality = 0.89: QD2 LEU 79 + HB2 TYR 117 OK 84 94 - 89 - 8716/2.7=45, 9981/4.5=39...(7) QD2 LEU 64 + HB2 TYR 117 OK 22 98 - 22 - 10300/3.9=12, 9842/4.5=4...(4) QD1 LEU 126 + HB2 TYR 117 OK 13 81 - 15 - 10300/3.9=7, 10255/1.8=2 Peak 10299 from cnoeabs.peaks (0.90, 6.56, 118.44 ppm; 5.33 A): 4 out of 6 assignments used, quality = 0.84: QG2 VAL 80 + QE TYR 117 OK 73 96 - 76 - 8764=49, 9955/2.2=19...(11) QG1 VAL 53 + QE TYR 117 OK 22 88 - 25 - ~9808=6, 9596/9571=6...(6) QG1 VAL 63 + QE TYR 117 OK 14 85 - 16 - 9596/9571=3, 8350/9814=3...(5) QG2 ILE 136 + QE TYR 117 OK 11 59 - 19 - 9596/9571=7...(3) QD1 ILE 101 - QE TYR 117 lone 5 73 - 7 - 9596/9571=2...(3) QG2 ILE 101 - QE TYR 117 lone 4 59 - 7 - 9596/9571=1...(4) Peak 10301 from cnoeabs.peaks (7.11, 2.42, 30.04 ppm; 5.50 A): 0 out of 1 assignment used, low quality = 0.38: QE PHE 45 - HB3 PRO 118 OK 38 72 - 53 - 11550/2.3=34, ~4828=8...(8) Peak 10302 from cnoeabs.peaks (7.87, 2.42, 30.04 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.72: H TYR 119 + HB3 PRO 118 OK 72 72 - 100 - 4.3=100 H PHE 38 - HB3 PRO 118 poor 10 99 - 10 - 6235/10788=4, 11551/2.3=1 Peak 10303 from cnoeabs.peaks (7.21, 3.08, 61.73 ppm; 5.53 A): 4 out of 4 assignments used, quality = 0.71: HE3 TRP 88 + HA TYR 119 OK 38 98 - 39 - 4753/3.7=11...(8) H GLU 37 + HA TYR 119 OK 33 85 - 38 - 4753/3.7=10, 10304/2.8=9...(10) HE3 TRP 17 + HA TYR 119 OK 17 77 - 22 - 4770=8, 4.3/9429=7...(4) QD TYR 27 + HA TYR 119 OK 17 99 - 17 - 4753/3.7=6, 10304/2.8=4 Peak 10307 from cnoeabs.peaks (8.49, 3.08, 61.73 ppm; 5.30 A): 0 out of 1 assignment used, low quality = 0.00: H VAL 80 - HA TYR 119 lone 6 96 - 6 - 4.7/6844=4 Peak 10308 from cnoeabs.peaks (9.03, 3.08, 61.73 ppm; 4.96 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10310 from cnoeabs.peaks (-1.13, 2.39, 35.83 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.89: QG1 VAL 82 + HB ILE 91 OK 86 89 - 96 - 10636/2.1=46...(16) QG1 VAL 82 + HG3 GLU 37 OK 23 73 - 32 - 9998/4.4=13...(8) Peak 10311 from cnoeabs.peaks (4.01, 3.08, 61.73 ppm; 5.81 A): 4 out of 12 assignments used, quality = 0.92: HA GLU 122 + HA TYR 119 OK 70 89 - 78 - 3.0/4064=30, 3.0/3987=27...(8) HA LYS 123 + HA TYR 119 OK 47 81 - 58 - 3.7/11097=26...(8) HB2 SER 138 + HA TYR 119 OK 28 85 - 33 - ~10709=11, 10709/3.0=5...(9) HB3 SER 138 + HA TYR 119 OK 28 85 - 32 - ~10709=11, ~10348=4...(9) HA GLU 37 - HA TYR 119 OK 19 72 - 26 - 2.8/10303=12, ~10304=6 HB THR 107 - HA TYR 119 OK 15 89 - 17 - 9236/9428=3, ~9254=2...(6) HA MET 113 - HA TYR 119 OK 15 89 - 16 - 5.4/9338=6, 9320/10704=4 HA LEU 69 - HA TYR 119 OK 11 85 - 13 - 4066/4064=2, 7512/3987=1...(4) HA LYS 114 - HA TYR 119 poor 9 89 - 10 - 3.0/6469=1 HA GLU 81 - HA TYR 119 poor 9 68 - 13 - 3.6/3987=5, 2440/3.0=2...(4) HB3 SER 100 - HA TYR 119 lone 8 99 - 8 - ~7467=3 HB2 SER 103 - HA TYR 119 lone 5 99 - 5 - Peak 10312 from cnoeabs.peaks (7.65, 4.19, 63.76 ppm; 5.20 A): 2 out of 5 assignments used, quality = 0.77: H GLU 122 + HA CYS 121 OK 72 72 - 100 - 3.6=100 H LEU 66 + HA CYS 121 OK 16 81 - 20 - 4.6/6653=4, 4056/3.0=3...(5) H GLY 50 - HA CYS 121 lone 8 98 - 8 - 9805/2.9=4, 9805/4042=1 HD21 ASN 130 - HA CYS 121 lone 5 92 - 6 - 7502/2.9=1, 4057/4.9=1 H LEU 97 - HA CYS 121 lone 5 100 - 5 - Peak 10313 from cnoeabs.peaks (7.46, 4.19, 63.76 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.47: H LEU 126 + HA CYS 121 OK 47 96 - 49 - 3.6/10317=33...(5) Peak 10314 from cnoeabs.peaks (8.23, 4.19, 63.76 ppm; 3.93 A): 3 out of 4 assignments used, quality = 0.65: H GLY 125 + HA CYS 121 OK 45 100 - 45 - 3.0/10317=25...(4) H THR 74 + HA CYS 121 OK 21 96 - 21 - 4.0/8618=4, 3.2/8628=3...(9) H ARG 124 + HA CYS 121 OK 20 62 - 32 - 9488=12, 4.7/7522=10...(6) H ILE 136 - HA CYS 121 lone 5 81 - 6 - 7557/9488=2 Peak 10315 from cnoeabs.peaks (4.28, 2.87, 26.59 ppm; 4.90 A): 2 out of 7 assignments used, quality = 0.57: HA PRO 118 + HB2 CYS 121 OK 52 100 - 52 - 9416=34, 10241/1.8=19...(4) HA3 GLY 78 + HB2 CYS 121 OK 11 100 - 11 - 9451/4.1=5, ~8694=3, 10316/1.8=3 HA LEU 95 - HB2 CYS 121 lone 8 85 - 9 - 9451/4.1=6, 10316/1.8=2 HA ARG 140 - HB2 CYS 121 lone 7 98 - 7 - 10241/1.8=4, 9451/4.1=2 HA ARG 89 - HB2 CYS 121 lone 7 77 - 9 - 10241/1.8=4, 9451/4.1=3 HA ARG 49 - HB2 CYS 121 lone 4 89 - 5 - 9451/4.1=2, 10316/1.8=1 HA THR 18 - HB2 CYS 121 lone 2 92 - 2 - Peak 10316 from cnoeabs.peaks (4.27, 2.71, 26.59 ppm; 5.76 A): 4 out of 9 assignments used, quality = 0.64: HA PRO 118 + HB3 CYS 121 OK 46 89 - 52 - 9416/1.8=33, 10241=20 HA ARG 140 + HB3 CYS 121 OK 13 98 - 14 - 10241=5, 10240/1.8=5, 9451/4.1=2 HA3 GLY 78 + HB3 CYS 121 OK 13 92 - 14 - 9451/4.1=5, 10315/1.8=4, ~8694=4 HA LEU 95 + HB3 CYS 121 OK 11 100 - 11 - 9451/4.1=6, 10315/1.8=3 HA ALA 135 - HB3 CYS 121 lone 7 85 - 8 - 2.1/10538=5 HA ARG 49 - HB3 CYS 121 lone 5 100 - 5 - 9451/4.1=2, 10315/1.8=2 HA2 GLY 50 - HB3 CYS 121 lone 3 89 - 4 - ~10312=2 HA SER 138 - HB3 CYS 121 lone 3 94 - 3 - HB THR 99 - HB3 CYS 121 lone 2 96 - 2 - Peak 10317 from cnoeabs.peaks (3.77, 4.19, 63.76 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.46: HA2 GLY 125 + HA CYS 121 OK 46 100 - 46 - 3.6/10313=26...(5) Peak 10321 from cnoeabs.peaks (7.11, 1.94, 29.51 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.68: QE PHE 45 + HB3 GLU 122 OK 68 94 - 72 - 9446/1.8=25...(14) Peak 10322 from cnoeabs.peaks (7.01, 1.94, 29.51 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.92: HZ PHE 45 + HB3 GLU 122 OK 87 100 - 87 - 2.2/10321=40, ~9446=24...(15) HD22 ASN 130 + HB3 GLU 122 OK 27 85 - 31 - 1.7/4073=8, ~4065=6...(10) HZ PHE 67 + HB3 GLU 122 OK 12 77 - 16 - 10243/1.8=7, 10244/3.0=6 HD22 ASN 128 - HB3 GLU 122 lone 5 85 - 6 - 10323/3.0=1 HH2 TRP 17 - HB3 GLU 122 lone 4 68 - 6 - 5588/10321=2, 5.0/8039=1 QE PHE 43 - HB3 GLU 122 lone 2 68 - 3 - Peak 10323 from cnoeabs.peaks (7.00, 2.08, 35.06 ppm; 5.79 A): 2 out of 6 assignments used, quality = 0.95: HZ PHE 45 + HG2 GLU 122 OK 92 99 - 93 - ~10321=33, ~10247=30...(14) HD22 ASN 130 + HG2 GLU 122 OK 42 99 - 42 - 1.7/4080=10, ~4087=8...(9) HZ PHE 67 - HG2 GLU 122 OK 28 96 - 29 - 10244=14, 10243/3.0=9...(4) HD22 ASN 128 - HG2 GLU 122 OK 10 99 - 10 - 3.4/9515=2, 10324/1.8=1...(4) HH2 TRP 17 - HG2 GLU 122 lone 7 92 - 8 - 10246/3.0=3, 10245/1.8=2 QE PHE 43 - HG2 GLU 122 lone 5 92 - 5 - 10246/3.0=1, 10324/1.8=1 Peak 10324 from cnoeabs.peaks (6.99, 2.00, 35.06 ppm; 6.62 A): 3 out of 6 assignments used, quality = 0.84: HZ PHE 45 + HG3 GLU 122 OK 64 68 - 95 - ~10321=40, ~10247=37...(13) HD22 ASN 130 + HG3 GLU 122 OK 42 96 - 44 - 1.7/4087=10, ~4080=9...(9) HZ PHE 67 + HG3 GLU 122 OK 23 99 - 24 - 10244/1.8=11...(4) HH2 TRP 17 - HG3 GLU 122 lone 10 100 - 10 - 10246/3.0=4, 9429/9459=2 HD22 ASN 128 - HG3 GLU 122 lone 10 96 - 10 - 10323/1.8=2, ~9515=2, ~10264=1 QE PHE 43 - HG3 GLU 122 lone 7 100 - 7 - 4742/1.8=1 Peak 10325 from cnoeabs.peaks (7.64, 1.51, 31.59 ppm; 6.17 A): 2 out of 5 assignments used, quality = 0.97: H GLU 122 + HB2 LYS 123 OK 95 100 - 95 - ~7532=34, 9452/3.0=25...(21) H VAL 82 + HB2 LYS 123 OK 47 99 - 48 - 11401/9465=8, 7523/3.9=6...(11) H LEU 66 - HB2 LYS 123 OK 41 100 - 41 - 10336/4.2=11...(7) HD21 ASN 130 - HB2 LYS 123 OK 13 96 - 13 - 7523/3.9=4, 10328/3.0=2...(5) H LYS 93 - HB2 LYS 123 lone 5 68 - 8 - 7523/3.9=1 Peak 10326 from cnoeabs.peaks (8.23, 0.34, 22.91 ppm; 5.42 A): 4 out of 4 assignments used, quality = 0.95: H THR 74 + HG2 LYS 123 OK 66 96 - 69 - 3.6/8582=23, 4.4/8586=13...(18) H ARG 124 + HG2 LYS 123 OK 62 62 - 100 - 4.8=100 H GLY 125 + HG2 LYS 123 OK 39 100 - 39 - 7559/4.8=22, 10327/1.8=3...(8) H ILE 136 + HG2 LYS 123 OK 34 81 - 41 - 7557/4.8=10, 3.7/4131=3...(15) Peak 10327 from cnoeabs.peaks (8.24, 0.39, 22.91 ppm; 6.53 A): 3 out of 3 assignments used, quality = 0.75: H ALA 105 + HG3 LYS 123 OK 57 68 - 85 - 10335/3.8=30...(16) H GLY 125 + HG3 LYS 123 OK 25 77 - 32 - 7557/4.8=18, 10335/3.8=5...(6) H THR 102 + HG3 LYS 123 OK 24 100 - 24 - 10335/3.8=9, 7199/2.9=6...(4) Peak 10328 from cnoeabs.peaks (7.64, 0.39, 22.91 ppm; 5.88 A): 2 out of 6 assignments used, quality = 0.96: H GLU 122 + HG3 LYS 123 OK 93 96 - 96 - ~7532=39, 3.1/7533=31...(21) H LEU 66 + HG3 LYS 123 OK 39 99 - 40 - 10336/4.8=12...(8) H VAL 82 - HG3 LYS 123 OK 24 81 - 30 - 10325/3.0=7, 7523/5.0=5...(7) HD21 ASN 130 - HG3 LYS 123 OK 10 100 - 10 - 7523/5.0=3, 10325/3.0=2...(4) H LEU 97 - HG3 LYS 123 lone 7 89 - 7 - 10336/4.8=1, 9098/8884=1 H GLY 50 - HG3 LYS 123 lone 3 77 - 4 - Peak 10329 from cnoeabs.peaks (1.99, 2.64, 41.80 ppm; 5.76 A): 5 out of 9 assignments used, quality = 0.91: HG3 GLU 122 + HE3 LYS 123 OK 70 81 - 87 - ~9453=22, ~9453=21...(19) HB VAL 63 + HE3 LYS 123 OK 36 100 - 36 - 9468/1.8=6, 3.0/4185=5...(13) QE MET 113 + HE3 LYS 123 OK 26 100 - 26 - 9330/3.8=8, 9330/4189=7...(6) QE MET 59 + HE3 LYS 123 OK 26 99 - 27 - 10567/3.0=7, 9468/1.8=4...(9) HG3 PRO 52 + HE3 LYS 123 OK 16 92 - 18 - ~9469=5, ~9469=4...(5) HB2 GLN 111 - HE3 LYS 123 lone 9 99 - 9 - 9466/3.8=1, 9251/4191=1...(4) HB3 GLU 90 - HE3 LYS 123 lone 7 77 - 9 - 9466/3.8=3, 10132/3.0=2 QE MET 11 - HE3 LYS 123 lone 4 89 - 5 - 9466/3.8=1 HB2 GLU 142 - HE3 LYS 123 lone 4 89 - 5 - 9468/1.8=2 Peak 10330 from cnoeabs.peaks (7.20, 2.64, 41.80 ppm; 5.20 A): 0 out of 3 assignments used, low quality = 0.12: HE3 TRP 88 - HE3 LYS 123 OK 12 98 - 12 - ~4708=4, 10331/1.8=4...(4) QD TYR 27 - HE3 LYS 123 lone 4 96 - 5 - 10331/1.8=1 H LYS 36 - HE3 LYS 123 lone 3 94 - 3 - Peak 10331 from cnoeabs.peaks (7.21, 2.35, 41.80 ppm; 4.80 A): 0 out of 5 assignments used, low quality = 0.33: H GLU 37 - HE2 LYS 123 OK 24 99 - 24 - 2.8/4174=4, ~4185=3...(9) HE3 TRP 88 - HE2 LYS 123 OK 12 81 - 14 - 10330/1.8=7, ~4708=3...(4) QD TYR 27 - HE2 LYS 123 lone 4 85 - 5 - 10330/1.8=3 QD PHE 45 - HE2 LYS 123 lone 4 85 - 5 - 10159/4179=3 HE3 TRP 17 - HE2 LYS 123 lone 1 96 - 1 - Peak 10332 from cnoeabs.peaks (6.26, 1.23, 26.96 ppm; 5.82 A): 0 out of 1 assignment used, low quality = 0.00: QE PHE 38 - HG12 ILE 101 lone 5 85 - 6 - 9461/4180=4 Peak 10333 from cnoeabs.peaks (8.47, 2.35, 41.80 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.98: H LYS 123 + HE2 LYS 123 OK 98 99 - 99 - 7532/3.8=37, 7537/1.8=35...(25) H GLY 15 - HE2 LYS 123 OK 44 81 - 54 - 10334/1.8=14...(7) Peak 10334 from cnoeabs.peaks (8.47, 2.64, 41.80 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.99: H LYS 123 + HE3 LYS 123 OK 98 100 - 98 - 7537=38, 7532/3.8=37...(25) H GLY 15 + HE3 LYS 123 OK 50 92 - 54 - 4151/3.0=13...(7) Peak 10335 from cnoeabs.peaks (8.24, 2.64, 41.80 ppm; 4.83 A): 0 out of 3 assignments used, low quality = 0.43: H ALA 105 - HE3 LYS 123 OK 36 68 - 53 - 2.9/4190=15, ~4179=10...(10) H THR 102 - HE3 LYS 123 OK 11 100 - 11 - 10327/3.8=4, 7199/3.0=4 H GLY 125 - HE3 LYS 123 lone 6 77 - 8 - 10327/3.8=4, 10326/3.8=2 Peak 10337 from cnoeabs.peaks (8.95, 4.15, 47.69 ppm; 5.56 A): 0 out of 1 assignment used, low quality = 0.35: H SER 127 - HA3 GLY 125 OK 35 68 - 52 - 7580/3.6=24...(7) Peak 10338 from cnoeabs.peaks (0.11, 0.64, 24.26 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.81: QG1 VAL 73 + QD1 LEU 126 OK 81 100 - 81 - 4.4/9496=23, 8587=15...(20) Peak 10339 from cnoeabs.peaks (0.43, 0.64, 24.26 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.55: QG2 VAL 82 + QD1 LEU 126 OK 55 94 - 58 - 8797/10249=16...(23) Peak 10341 from cnoeabs.peaks (4.28, 0.64, 24.26 ppm; 3.55 A): 2 out of 7 assignments used, quality = 0.76: HA3 GLY 78 + QD1 LEU 126 OK 72 99 - 73 - 1.8/10256=28...(11) HA LEU 95 + QD1 LEU 126 OK 15 77 - 20 - 3.0/10257=4, 3124/2.1=2...(10) HA ARG 140 - QD1 LEU 126 poor 10 94 - 10 - 8566/10338=2...(4) HA ARG 89 - QD1 LEU 126 lone 6 85 - 7 - 8566/10338=2, 8947/11376=1 HA ARG 49 - QD1 LEU 126 lone 5 81 - 6 - 5.2/10256=1...(3) HA THR 18 - QD1 LEU 126 lone 4 96 - 4 - HA PRO 118 - QD1 LEU 126 lone 4 100 - 4 - 8566/10338=1 Peak 10342 from cnoeabs.peaks (4.62, 0.64, 24.26 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.94: HA ARG 124 + QD1 LEU 126 OK 94 100 - 94 - 3.6/9496=27...(27) HA PRO 129 - QD1 LEU 126 OK 12 81 - 15 - 10277/4749=3, 9993/2.1=2...(7) HA ASP 16 - QD1 LEU 126 OK 12 98 - 12 - 10343/2.1=1, 4205/9482=1...(7) HA HIS 10 - QD1 LEU 126 OK 11 94 - 11 - 3.0/10256=2...(7) Peak 10343 from cnoeabs.peaks (4.62, 0.79, 22.01 ppm; 4.91 A): 2 out of 15 assignments used, quality = 0.97: HA ARG 124 + QD2 LEU 126 OK 95 99 - 96 - 10342/2.1=32, ~9482=19...(27) HA ARG 124 + QG1 VAL 80 OK 42 68 - 62 - 3.0/9476=10, 3.0/9481=10...(13) HA ARG 124 - QG2 THR 74 OK 28 65 - 42 - 4203/4.0=8, 10673=5...(15) HA LEU 87 - QD2 LEU 126 OK 19 57 - 33 - ~11673=8, ~6995=6...(11) HA PRO 129 - QG1 VAL 80 OK 13 41 - 31 - 9952/2.1=11, ~8752=5...(8) HA ASP 16 - QD2 LEU 126 OK 12 100 - 12 - 10342/2.1=4...(4) HA HIS 10 - QD2 LEU 126 OK 11 85 - 12 - 10342/2.1=4, ~10256=1 HA PRO 129 - QD2 LEU 126 poor 10 68 - 14 - 10342/2.1=4...(4) HA ASP 16 - QG1 VAL 80 lone 4 71 - 6 - HA LEU 87 - QG1 VAL 80 poor 4 34 - 13 - ~9948=3, 9992/2.1=2, 4.3/8760=1 HA HIS 10 - QG1 VAL 80 lone 4 54 - 8 - 9952/2.1=2 HA HIS 10 - QG2 THR 74 lone 3 51 - 5 - HA ASP 16 - QG2 THR 74 lone 2 67 - 3 - HA LEU 87 - QG2 THR 74 lone 2 32 - 5 - HA PRO 129 - QG2 THR 74 lone 1 39 - 4 - Peak 10344 from cnoeabs.peaks (5.09, 0.79, 22.01 ppm; 4.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10345 from cnoeabs.peaks (8.33, 0.79, 22.01 ppm; 3.71 A): 2 out of 6 assignments used, quality = 0.82: H GLY 78 + QD2 LEU 126 OK 71 92 - 77 - 9497/2.1=28, ~8704=14...(19) H GLY 78 + QG2 THR 74 OK 38 57 - 67 - 8558/3.2=24, 8693/2.1=16...(14) H GLY 78 - QG1 VAL 80 lone 4 60 - 7 - 4.4/6851=2, 9497/4304=2 H ASP 13 - QD2 LEU 126 lone 3 68 - 4 - 9497/2.1=1, 3.5/8761=1 H ASP 13 - QG1 VAL 80 lone 1 41 - 4 - 3.5/8761=2 H ASP 13 - QG2 THR 74 lone 1 39 - 3 - Peak 10346 from cnoeabs.peaks (8.96, 1.57, 41.41 ppm; 6.40 A): 2 out of 2 assignments used, quality = 0.94: H SER 127 + HB2 LEU 126 OK 89 89 - 100 - 4.2=100 H MET 59 + HB2 LEU 126 OK 44 77 - 57 - 11022/3.1=28...(5) Peak 10347 from cnoeabs.peaks (8.97, 1.84, 41.41 ppm; 5.93 A): 2 out of 2 assignments used, quality = 1.00: H SER 127 + HB3 LEU 126 OK 100 100 - 100 - 4.2=100 H MET 59 + HB3 LEU 126 OK 64 100 - 64 - 11022/3.1=39...(6) Peak 10348 from cnoeabs.peaks (8.97, 1.46, 27.00 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.97: H SER 127 + HG LEU 126 OK 91 100 - 91 - 7582/5.2=41, 7585/3.0=37...(10) H MET 59 + HG LEU 126 OK 72 100 - 72 - 11022/2.1=49...(5) Peak 10349 from cnoeabs.peaks (8.96, 0.64, 24.26 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.95: H SER 127 + QD1 LEU 126 OK 89 100 - 89 - 7587=32, 7582/4.7=31...(11) H MET 59 + QD1 LEU 126 OK 56 98 - 58 - 11022=27, 10347/3.1=10...(10) Peak 10350 from cnoeabs.peaks (8.82, 0.64, 24.26 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.78: H LEU 79 + QD1 LEU 126 OK 78 94 - 82 - 3.6/10256=28...(15) Peak 10352 from cnoeabs.peaks (8.87, 3.84, 64.70 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.32: H MET 113 - HB2 SER 127 OK 32 100 - 32 - 5.2/10193=7, 3.0/4322=6...(9) Peak 10353 from cnoeabs.peaks (8.20, 3.99, 64.70 ppm; 6.51 A): 4 out of 5 assignments used, quality = 0.59: H GLU 142 + HB3 SER 127 OK 29 81 - 36 - 10354/4.7=29, 9958/9521=3 H ILE 136 + HB3 SER 127 OK 23 68 - 33 - 4.0/9521=10, 4.8/10332=7...(7) H ARG 141 + HB3 SER 127 OK 15 100 - 15 - 10354/4.7=7, 3.2/9751=3...(4) H ARG 124 + HB3 SER 127 OK 12 85 - 14 - 10354/4.7=4...(3) H MET 11 - HB3 SER 127 lone 7 98 - 7 - 10354/4.7=3 Peak 10356 from cnoeabs.peaks (8.70, 2.79, 39.64 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.50: H ASN 130 + HB2 ASN 128 OK 50 68 - 73 - 10358/1.8=24...(16) H VAL 53 - HB2 ASN 128 poor 9 89 - 11 - 10358/1.8=4...(4) Peak 10357 from cnoeabs.peaks (8.18, 2.99, 39.64 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.83: H GLU 131 + HB3 ASN 128 OK 79 94 - 84 - 10359/1.8=24...(12) H GLU 142 + HB3 ASN 128 OK 19 62 - 30 - 10373/3.4=7, 10359/1.8=7...(11) Peak 10358 from cnoeabs.peaks (8.69, 2.99, 39.64 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.91: H ASN 130 + HB3 ASN 128 OK 89 98 - 91 - 10539=35, 10356/1.8=28...(18) H VAL 53 + HB3 ASN 128 OK 13 100 - 13 - 10356/1.8=5...(4) H THR 92 - HB3 ASN 128 lone 2 72 - 3 - Peak 10359 from cnoeabs.peaks (8.18, 2.79, 39.64 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.89: H GLU 131 + HB2 ASN 128 OK 86 94 - 91 - 10357/1.8=38...(13) H GLU 142 + HB2 ASN 128 OK 23 62 - 37 - 10373/3.4=9, 10357/1.8=9...(11) Peak 10360 from cnoeabs.peaks (4.62, 5.26, 50.43 ppm; 6.23 A): 3 out of 4 assignments used, quality = 0.95: HA PRO 129 + HA ASN 128 OK 89 89 - 100 - 4.8=100 HA ASP 16 + HA ASN 128 OK 39 94 - 41 - 3.0/9503=39, 151/10371=1 HA ARG 124 + HA ASN 128 OK 29 100 - 29 - 4359/3.8=7, 4351/3.8=7...(8) HA HIS 10 - HA ASN 128 OK 24 98 - 24 - 4351/3.8=7, 4359/3.8=7...(6) Peak 10361 from cnoeabs.peaks (1.82, 3.84, 64.70 ppm; 5.94 A): 2 out of 5 assignments used, quality = 0.94: HB VAL 80 + HB2 SER 127 OK 90 94 - 95 - ~9951=40, ~9521=38...(10) HB3 MET 68 + HB2 SER 127 OK 37 100 - 37 - ~4326=5, 4.4/6684=5...(13) HB2 ARG 141 - HB2 SER 127 lone 8 100 - 8 - 2427/9520=2, 2416/10265=1 HB2 MET 11 - HB2 SER 127 lone 5 89 - 5 - HD3 LYS 36 - HB2 SER 127 lone 5 100 - 5 - 2427/9520=1 Peak 10362 from cnoeabs.peaks (2.18, 5.26, 50.43 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.98: HG2 PRO 129 + HA ASN 128 OK 97 98 - 99 - 2.3/4347=45, 2.3/4349=44...(31) HB3 LYS 86 + HA ASN 128 OK 46 100 - 46 - 4354/3.8=10, 4362/3.8=10...(11) HB2 GLN 25 - HA ASN 128 OK 15 62 - 24 - 4362/3.8=6, 4354/3.8=6...(9) HB2 MET 113 - HA ASN 128 OK 14 72 - 19 - 1.8/9504=4, 10272/3.0=2...(9) HB3 PRO 57 - HA ASN 128 OK 11 100 - 11 - 4362/3.8=2, 4354/3.8=2...(4) HB2 MET 46 - HA ASN 128 lone 2 72 - 2 - Peak 10363 from cnoeabs.peaks (0.81, 3.84, 64.70 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.50: QD1 LEU 95 + HB2 SER 127 OK 36 100 - 36 - 10366/4.7=17...(6) HG LEU 42 + HB2 SER 127 OK 21 100 - 21 - 10366/4.7=11...(3) Peak 10364 from cnoeabs.peaks (0.81, 3.99, 64.70 ppm; 5.40 A): 4 out of 4 assignments used, quality = 0.92: QG1 VAL 80 + HB3 SER 127 OK 82 89 - 92 - 2.1/9521=43, ~9520=25...(13) QD1 LEU 95 + HB3 SER 127 OK 34 81 - 42 - 10363/1.8=18...(7) HG LEU 42 + HB3 SER 127 OK 20 85 - 24 - 10366/4.7=11...(3) QD2 LEU 126 + HB3 SER 127 OK 16 62 - 26 - 7588/4.0=12, 10265/1.8=6...(5) Peak 10368 from cnoeabs.peaks (0.40, 2.59, 31.98 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 132 + HB3 PRO 129 OK 93 100 - 93 - 10270/2.3=42, 10273=39...(18) HG3 LYS 123 - HB3 PRO 129 lone 8 99 - 8 - 10270/2.3=5, 9411/9530=2 Peak 10369 from cnoeabs.peaks (2.80, 3.92, 50.80 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.97: HB2 ASN 128 + HD2 PRO 129 OK 97 98 - 99 - 4.8=54, 3.0/4347=35...(37) HB3 ASN 139 - HD2 PRO 129 OK 33 100 - 33 - 9526/1.8=8, ~10382=6...(9) HB3 ASP 41 - HD2 PRO 129 OK 17 100 - 17 - 9526/1.8=4, 4331/3.8=4...(6) Peak 10370 from cnoeabs.peaks (5.26, 2.08, 31.98 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 128 + HB2 PRO 129 OK 100 100 - 100 - 4347/3.0=50, 4349/3.0=50...(30) Peak 10371 from cnoeabs.peaks (5.27, 2.59, 31.98 ppm; 6.17 A): 1 out of 1 assignment used, quality = 0.92: HA ASN 128 + HB3 PRO 129 OK 92 92 - 100 - 4347/3.0=46, 4349/3.0=46...(32) Peak 10375 from cnoeabs.peaks (8.72, 3.92, 50.80 ppm; 5.43 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10376 from cnoeabs.peaks (8.17, 3.92, 50.80 ppm; 6.25 A): 1 out of 1 assignment used, quality = 0.65: H GLU 131 + HD2 PRO 129 OK 65 77 - 85 - 10357/4.8=29...(15) Peak 10377 from cnoeabs.peaks (7.73, 3.92, 50.80 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.99: H LEU 132 + HD2 PRO 129 OK 78 98 - 80 - 4.5/10376=35...(12) H GLN 62 + HD2 PRO 129 OK 76 100 - 77 - 2.9/4351=13, ~4359=11...(22) HD21 ASN 128 + HD2 PRO 129 OK 72 72 - 100 - 4.6/4347=49...(29) H SER 100 - HD2 PRO 129 OK 18 98 - 19 - 10155/4.8=8, 4333/3.8=2...(5) Peak 10379 from cnoeabs.peaks (8.69, 2.26, 27.79 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.89: H ASN 130 + HG3 PRO 129 OK 86 99 - 87 - 7616/3.8=33, 7621/2.3=27...(17) H VAL 53 + HG3 PRO 129 OK 18 100 - 18 - ~9840=5, 4382/2.3=5...(4) H THR 92 - HG3 PRO 129 poor 8 77 - 11 - 4382/2.3=3, 3.5/7053=3 Peak 10380 from cnoeabs.peaks (2.81, 2.17, 27.79 ppm; 5.20 A): 5 out of 6 assignments used, quality = 0.93: HB2 ASN 128 + HG2 PRO 129 OK 72 72 - 100 - 3.0/9529=39, ~4347=32...(35) HB3 ASN 139 + HG2 PRO 129 OK 38 96 - 40 - ~10382=12, 9526/2.3=9...(6) HB2 ASN 139 + HG2 PRO 129 OK 31 72 - 43 - ~10369=8, ~9526=8...(8) HB2 ASN 130 + HG2 PRO 129 OK 30 72 - 41 - 4.0/7619=17, 10283/2.3=8...(6) HB3 ASP 41 + HG2 PRO 129 OK 14 81 - 17 - 9526/2.3=5, 10369/2.3=5...(4) HE3 LYS 114 - HG2 PRO 129 lone 8 85 - 9 - 10283/2.3=3, 10274/2.3=2 Peak 10381 from cnoeabs.peaks (2.97, 2.17, 27.79 ppm; 5.26 A): 4 out of 5 assignments used, quality = 0.94: HB3 ASN 128 + HG2 PRO 129 OK 72 72 - 100 - 3.0/9529=40, ~4347=32...(38) HA VAL 71 + HG2 PRO 129 OK 46 100 - 46 - 9525/2.3=16, 9527/1.8=16...(5) HB2 ASP 30 + HG2 PRO 129 OK 46 96 - 47 - 9525/2.3=20, 9527/1.8=13...(9) HA VAL 82 + HG2 PRO 129 OK 27 85 - 32 - 10275/2.3=8, 9525/2.3=7...(7) HB3 TYR 27 - HG2 PRO 129 OK 22 100 - 22 - 9525/2.3=7, 9527/1.8=6...(4) Peak 10382 from cnoeabs.peaks (2.82, 2.26, 27.79 ppm; 5.65 A): 3 out of 5 assignments used, quality = 0.79: HB2 ASN 130 + HG3 PRO 129 OK 52 100 - 53 - 4.0/10379=26, 9540=9...(8) HB2 ASN 139 + HG3 PRO 129 OK 51 100 - 52 - ~10369=9, ~9526=9...(10) HE3 LYS 114 + HG3 PRO 129 OK 11 96 - 12 - 10283/2.3=2, 7.0/7399=1...(6) HB2 ASP 40 - HG3 PRO 129 lone 3 100 - 3 - HB3 ASN 54 - HG3 PRO 129 lone 2 98 - 2 - Peak 10383 from cnoeabs.peaks (2.80, 2.08, 31.98 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.97: HB2 ASN 128 + HB2 PRO 129 OK 94 94 - 100 - 10369/3.0=29...(38) HB3 ASN 139 + HB2 PRO 129 OK 40 100 - 40 - ~10382=11, 10369/3.0=10...(6) HB3 ASP 41 - HB2 PRO 129 OK 17 98 - 17 - 10369/3.0=5, 9526/3.0=5...(4) Peak 10385 from cnoeabs.peaks (8.32, 2.94, 37.39 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.43: H ASN 128 - HB3 ASN 130 OK 28 62 - 44 - 10393/4.7=22, 5.6/4429=9...(6) H THR 99 - HB3 ASN 130 OK 21 94 - 23 - 4.0/10116=9, 3.0/10763=7...(4) Peak 10389 from cnoeabs.peaks (8.05, 2.82, 37.39 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.73: H GLN 133 + HB2 ASN 130 OK 73 89 - 82 - 7674/3.0=34...(6) Peak 10391 from cnoeabs.peaks (7.84, 4.14, 58.26 ppm; 4.63 A): 1 out of 4 assignments used, quality = 0.65: H ALA 135 + HA GLU 131 OK 65 92 - 71 - 3.7/4574=29, 3.5/4438=28...(7) H TYR 119 - HA GLU 131 poor 9 81 - 12 - 7724/4438=4, 4578/4574=3...(4) H ARG 55 - HA GLU 131 lone 2 99 - 2 - H TRP 17 - HA GLU 131 lone 1 96 - 1 - Peak 10392 from cnoeabs.peaks (8.06, 4.14, 58.26 ppm; 5.04 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10394 from cnoeabs.peaks (8.30, 2.45, 30.00 ppm; 4.61 A): 5 out of 5 assignments used, quality = 0.94: H ASN 128 + HB3 GLU 131 OK 88 96 - 91 - 11644/1.8=29, 9498=25...(20) H VAL 71 + HB3 GLU 131 OK 31 100 - 31 - 11644/1.8=8, 10396/2.9=6...(10) H LEU 64 + HB3 GLU 131 OK 15 89 - 17 - 4.4/10937=7, 11644/1.8=5...(4) H THR 18 + HB3 GLU 131 OK 15 100 - 15 - 11644/1.8=4, 10396/2.9=3...(4) H THR 99 + HB3 GLU 131 OK 11 68 - 16 - 10393/4.0=4, 10396/2.9=3...(5) Peak 10395 from cnoeabs.peaks (8.30, 2.27, 36.46 ppm; 4.38 A): 3 out of 10 assignments used, quality = 0.77: H ASN 128 + HG2 GLU 131 OK 52 66 - 78 - 10396/1.8=22...(19) H ASN 128 + HG3 GLU 142 OK 45 100 - 45 - 10354/5.0=14, 9500/3.0=8...(15) H VAL 71 + HG2 GLU 131 OK 15 55 - 27 - 10396/1.8=7, 11644/2.9=5...(7) H THR 18 - HG2 GLU 131 poor 8 65 - 12 - 10396/1.8=3, 11644/2.9=3...(4) H THR 99 - HG2 GLU 131 poor 6 55 - 12 - 10396/1.8=4, 10393/5.0=3 H VAL 71 - HG3 GLU 142 lone 6 92 - 7 - 4.0/8512=2 H LEU 64 - HG2 GLU 131 lone 3 34 - 10 - 11644/2.9=4, 10394/2.9=3 H LEU 64 - HG3 GLU 142 lone 3 62 - 5 - H THR 18 - HG3 GLU 142 lone 3 100 - 3 - H THR 99 - HG3 GLU 142 lone 3 92 - 3 - Peak 10396 from cnoeabs.peaks (8.30, 2.44, 36.81 ppm; 4.47 A): 4 out of 5 assignments used, quality = 0.93: H ASN 128 + HG3 GLU 131 OK 87 100 - 87 - 9498/2.9=22...(20) H VAL 71 + HG3 GLU 131 OK 27 92 - 30 - 11644/2.9=6, 10394/2.9=5...(11) H THR 99 + HG3 GLU 131 OK 14 92 - 15 - 10393/5.0=3, 4.6/4467=2...(6) H THR 18 + HG3 GLU 131 OK 13 100 - 13 - 11644/2.9=3, 10394/2.9=3...(4) H LEU 64 - HG3 GLU 131 lone 6 62 - 9 - 11644/2.9=4, 10394/2.9=3 Peak 10400 from cnoeabs.peaks (7.00, 2.27, 36.81 ppm; 5.58 A): 2 out of 12 assignments used, quality = 0.98: HD22 ASN 128 + HG2 GLU 131 OK 97 99 - 98 - 9510/1.8=24, ~9518=22...(26) HD22 ASN 130 + HG2 GLU 131 OK 48 99 - 48 - 3.4/9543=11, ~9542=10...(10) HD22 ASN 128 - HG3 GLU 142 OK 31 63 - 49 - 10374/5.0=10, 9512/3.0=8...(14) HZ PHE 45 - HG2 GLU 131 OK 29 99 - 29 - 10399/5.0=16...(4) HD22 ASN 130 - HG3 GLU 142 OK 17 63 - 27 - 3.4/9543=7, ~9544=5...(7) HZ PHE 67 - HG2 GLU 131 lone 5 96 - 5 - 5.8/9568=1 QE PHE 43 - HG2 GLU 131 lone 5 92 - 5 - HZ PHE 45 - HG3 GLU 142 lone 4 63 - 7 - 10399/7652=2 HH2 TRP 17 - HG2 GLU 131 lone 2 92 - 2 - QE PHE 43 - HG3 GLU 142 lone 2 55 - 3 - HZ PHE 67 - HG3 GLU 142 lone 2 60 - 3 - HH2 TRP 17 - HG3 GLU 142 lone 1 55 - 2 - Peak 10401 from cnoeabs.peaks (7.01, 2.44, 36.81 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.81: HD22 ASN 128 + HG3 GLU 131 OK 62 68 - 93 - 3.4/9565=20, 1.7/9513=19...(25) HD22 ASN 130 + HG3 GLU 131 OK 33 68 - 48 - 3.4/9542=11, 3.4/9539=10...(12) HZ PHE 45 + HG3 GLU 131 OK 25 96 - 26 - 10399/5.0=19, 4826/4.2=3 Peak 10402 from cnoeabs.peaks (4.59, 4.14, 58.26 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.67: HA PRO 129 + HA GLU 131 OK 67 77 - 87 - 10289=37, 3.6/9546=32...(14) Peak 10404 from cnoeabs.peaks (0.80, 2.09, 30.00 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.82: QG1 VAL 80 + HB2 GLU 131 OK 71 94 - 75 - 9557/1.8=16...(17) QD2 LEU 126 + HB2 GLU 131 OK 25 72 - 35 - 9557/1.8=7, 3.9/4441=5...(16) QD1 LEU 95 + HB2 GLU 131 OK 20 72 - 27 - 9554/3.0=5, 9553/4.0=5...(11) HG LEU 42 - HB2 GLU 131 poor 10 77 - 13 - 9554/3.0=3, 9553/4.0=3...(6) Peak 10405 from cnoeabs.peaks (0.89, 2.09, 30.00 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.95: QG2 VAL 80 + HB2 GLU 131 OK 88 100 - 89 - 2.1/10404=21...(23) QD1 ILE 101 + HB2 GLU 131 OK 36 89 - 40 - 10131/2.9=5, 9555/3.0=5...(16) QG2 ILE 101 + HB2 GLU 131 OK 28 77 - 37 - 9555/3.0=4, 9563/2.9=4...(16) QG1 VAL 63 - HB2 GLU 131 OK 18 77 - 23 - 10937/1.8=6, 2.1/9829=4...(6) QG1 VAL 53 - HB2 GLU 131 OK 13 81 - 16 - 9548/4.6=6, 9555/3.0=2 QG2 ILE 136 - HB2 GLU 131 poor 8 77 - 10 - 9563/2.9=2, ~9559=2...(4) QD1 LEU 97 - HB2 GLU 131 lone 6 68 - 9 - 9552/4.0=2, 9563/2.9=1 Peak 10406 from cnoeabs.peaks (1.47, 2.27, 36.81 ppm; 4.89 A): 5 out of 8 assignments used, quality = 0.88: QB ALA 134 + HG2 GLU 131 OK 54 85 - 64 - 4574/4.2=22, 9639=21...(5) HG LEU 126 + HG2 GLU 131 OK 49 96 - 51 - 2.1/9559=10, ~9562=7...(12) HB2 LYS 76 + HG2 GLU 131 OK 33 81 - 41 - 9561/1.8=6, 2.9/4455=5...(13) HG LEU 126 + HG3 GLU 142 OK 16 60 - 27 - ~11582=7, 10683/3.0=5...(7) QB ALA 134 + HG3 GLU 142 OK 11 50 - 21 - 9639=6, 9661/5.0=4...(7) HB2 LYS 76 - HG3 GLU 142 poor 5 47 - 11 - 4.6/8679=3, ~11555=1 HG3 LYS 86 - HG2 GLU 131 lone 4 100 - 4 - HG3 LYS 86 - HG3 GLU 142 lone 2 66 - 3 - Peak 10407 from cnoeabs.peaks (0.78, 1.26, 40.13 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.96: QD1 LEU 79 + HB2 LEU 132 OK 89 99 - 90 - ~8738=37, ~8738=36...(21) QD2 LEU 95 + HB2 LEU 132 OK 44 100 - 44 - 8741/3.2=9, ~10423=6...(14) QG2 THR 74 + HB2 LEU 132 OK 42 96 - 44 - ~11037=14, ~9582=13...(7) QD2 LEU 126 - HB2 LEU 132 poor 10 72 - 14 - 9621/3.8=5, 2428/8754=2...(4) Peak 10408 from cnoeabs.peaks (0.77, 1.92, 40.13 ppm; 6.20 A): 5 out of 6 assignments used, quality = 1.00: QD1 ILE 136 + HB3 LEU 132 OK 81 81 - 99 - 9686/3.2=31...(40) QG2 VAL 73 + HB3 LEU 132 OK 66 77 - 85 - ~9598=33, ~8583=31...(14) QD2 LEU 72 + HB3 LEU 132 OK 64 96 - 66 - 9947/3.2=21...(12) QD1 LEU 72 + HB3 LEU 132 OK 57 85 - 67 - ~9947=20, ~10420=10...(13) QD1 LEU 79 + HB3 LEU 132 OK 57 68 - 85 - ~8738=34, ~8738=32...(15) QD2 LEU 95 - HB3 LEU 132 OK 33 85 - 38 - 10407/1.8=6, ~10423=6...(11) Peak 10409 from cnoeabs.peaks (7.85, 0.40, 25.33 ppm; 5.59 A): 2 out of 4 assignments used, quality = 0.99: H ALA 135 + QD2 LEU 132 OK 96 100 - 96 - 7729/4.7=29...(21) H TYR 119 + QD2 LEU 132 OK 68 100 - 68 - 2.8/10704=24...(12) H ARG 55 - QD2 LEU 132 lone 5 77 - 7 - 4.5/9575=1 H TRP 17 - QD2 LEU 132 lone 3 68 - 4 - 4.6/9575=1, 4.0/9573=1 Peak 10410 from cnoeabs.peaks (8.19, 0.40, 25.33 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.77: H GLU 131 + QD2 LEU 132 OK 68 98 - 69 - 7659/4.4=31, 7675/4.7=25...(7) H GLU 142 + QD2 LEU 132 OK 29 100 - 29 - 7659/4.4=10, 10418/3.8=8...(5) H ARG 141 - QD2 LEU 132 lone 7 77 - 9 - 9958/8756=3, 10418/3.8=2 Peak 10411 from cnoeabs.peaks (7.86, 0.59, 23.59 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.90: H ALA 135 + QD1 LEU 132 OK 79 94 - 83 - 2.9/9628=25, 7729/4.6=17...(19) H TYR 119 + QD1 LEU 132 OK 52 99 - 52 - ~10704=12, 4476/4.0=9...(12) H PHE 38 - QD1 LEU 132 lone 3 72 - 4 - Peak 10412 from cnoeabs.peaks (8.04, 0.59, 23.59 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.97: H GLN 133 + QD1 LEU 132 OK 92 92 - 100 - 4.6=100 H ILE 58 + QD1 LEU 132 OK 61 100 - 61 - 4509/2.1=11, 4493/3.2=9...(15) H ARG 144 - QD1 LEU 132 OK 16 98 - 15 - 4509/2.1=2, 4501/2.1=2...(7) Peak 10413 from cnoeabs.peaks (8.21, 0.59, 23.59 ppm; 4.17 A): 4 out of 6 assignments used, quality = 0.95: H ILE 136 + QD1 LEU 132 OK 77 100 - 77 - 3.7/9628=19...(19) H ARG 124 + QD1 LEU 132 OK 53 100 - 53 - 7545/2.1=11, 3.0/9592=9...(17) H THR 74 + QD1 LEU 132 OK 45 94 - 48 - 4.4/9597=15, 4.4/10297=7...(13) H GLY 125 + QD1 LEU 132 OK 11 68 - 17 - 3.6/9592=8, 4.6/10300=3 H MET 11 - QD1 LEU 132 lone 9 94 - 9 - 3.6/9592=3, 11245/9592=1 H ARG 141 - QD1 LEU 132 lone 4 68 - 5 - Peak 10414 from cnoeabs.peaks (8.48, 0.59, 23.59 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.66: H VAL 80 + QD1 LEU 132 OK 45 68 - 67 - 2.8/9581=22, 4.0/9600=22...(7) H LYS 123 + QD1 LEU 132 OK 38 72 - 52 - ~4099=11, 5.0/4515=11...(8) Peak 10415 from cnoeabs.peaks (7.14, 0.59, 23.59 ppm; 6.34 A): 2 out of 3 assignments used, quality = 0.98: QD TYR 117 + QD1 LEU 132 OK 95 100 - 95 - 2.2/10294=48, ~9571=46...(15) QE TYR 115 + QD1 LEU 132 OK 61 72 - 84 - 10295=39, 2.2/4729=22...(20) QD PHE 106 - QD1 LEU 132 OK 25 92 - 27 - 5670/10294=5, 2.5/9581=4...(8) Peak 10416 from cnoeabs.peaks (6.55, 0.59, 23.59 ppm; 5.45 A): 2 out of 2 assignments used, quality = 0.52: QE TYR 117 + QD1 LEU 132 OK 42 62 - 68 - 10294=39, 9571/2.1=19...(8) HE22 GLN 22 + QD1 LEU 132 OK 18 99 - 18 - 11286=8, 11290/1588=3...(5) Peak 10417 from cnoeabs.peaks (8.17, 1.26, 40.13 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.48: H GLU 131 + HB2 LEU 132 OK 48 77 - 63 - 7675/3.8=30, 7659/3.6=29...(6) Peak 10418 from cnoeabs.peaks (8.19, 4.08, 57.69 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.79: H GLU 131 + HA LEU 132 OK 71 98 - 73 - 7659/2.8=36, 7675/3.6=30...(6) H GLU 142 + HA LEU 132 OK 27 100 - 27 - 7659/2.8=12, 10410/3.8=8...(4) H ARG 141 - HA LEU 132 lone 6 77 - 7 - 10410/3.8=2, 9958/11616=2 Peak 10419 from cnoeabs.peaks (4.00, 0.40, 25.33 ppm; 4.43 A): 3 out of 9 assignments used, quality = 0.98: HA MET 113 + QD2 LEU 132 OK 87 100 - 87 - 9319/2.1=27, 3.7/9328=23...(17) HA GLU 122 + QD2 LEU 132 OK 64 100 - 64 - 3.0/11037=17...(16) HA LEU 69 + QD2 LEU 132 OK 50 100 - 50 - 3.0/4506=6, ~8467=5...(19) HB3 SER 100 - QD2 LEU 132 OK 25 68 - 38 - 1.8/9572=7, 4.1/4502=7...(10) HA LYS 114 - QD2 LEU 132 OK 25 100 - 25 - 10198/9570=6...(7) HB3 SER 127 - QD2 LEU 132 OK 22 85 - 26 - 9521/8756=9, 1.8/9572=3...(6) HB2 SER 138 - QD2 LEU 132 OK 17 100 - 17 - 10332/9686=2...(7) HB3 SER 138 - QD2 LEU 132 OK 17 100 - 17 - 10332/9686=2...(7) HB2 SER 103 - QD2 LEU 132 lone 2 68 - 3 - Peak 10420 from cnoeabs.peaks (0.76, 0.59, 23.59 ppm; 2.75 A): 4 out of 5 assignments used, quality = 0.94: QD1 ILE 136 + QD1 LEU 132 OK 71 94 - 75 - 9686/2.1=20, 9685=18...(25) QD2 LEU 72 + QD1 LEU 132 OK 43 100 - 43 - 9947=18, 2.1/10297=5...(13) QG2 VAL 73 + QD1 LEU 132 OK 39 92 - 43 - 10297=9, ~9598=7...(12) QD1 LEU 72 + QD1 LEU 132 OK 37 96 - 38 - 2.1/9947=11, 10297=7...(9) QD2 LEU 95 - QD1 LEU 132 poor 7 68 - 11 - 2.1/10423=2, 9595/2.1=1 Peak 10421 from cnoeabs.peaks (1.52, 0.59, 23.59 ppm; 3.24 A): 4 out of 9 assignments used, quality = 0.94: QB ALA 135 + QD1 LEU 132 OK 74 100 - 74 - 9628=29, 10318/2.1=15...(17) HB2 LYS 123 + QD1 LEU 132 OK 43 96 - 45 - 4111/2.1=9, 3.0/4515=9...(11) HG3 LYS 76 + QD1 LEU 132 OK 40 98 - 41 - 10092/2.1=14, ~8655=11...(9) HB2 GLU 122 + QD1 LEU 132 OK 29 72 - 39 - 11037/2.1=7, 10298=7...(14) HG3 PRO 57 - QD1 LEU 132 OK 26 99 - 26 - 1.8/10423=7, 2.3/10422=5...(7) HD2 LYS 76 - QD1 LEU 132 OK 24 89 - 28 - ~10092=8, 10298=4...(6) HG2 LYS 93 - QD1 LEU 132 OK 16 98 - 17 - 10092/2.1=4, 10298=3...(4) HB2 LEU 29 - QD1 LEU 132 OK 13 100 - 13 - 3.2/9600=2, 10298=2...(4) HG3 LYS 85 - QD1 LEU 132 lone 8 100 - 8 - 10298=1 Peak 10422 from cnoeabs.peaks (1.65, 0.59, 23.59 ppm; 3.67 A): 3 out of 7 assignments used, quality = 0.94: HG13 ILE 136 + QD1 LEU 132 OK 87 94 - 92 - ~9686=20, 2.1/10297=18...(38) HB2 PRO 57 + QD1 LEU 132 OK 40 100 - 40 - 2.3/10423=9, 3.9/10412=6...(12) HB3 LEU 26 + QD1 LEU 132 OK 25 81 - 31 - 3.2/10577=7, 3.0/10547=7...(10) HB2 LYS 114 - QD1 LEU 132 OK 18 99 - 19 - 4.6/9368=8...(5) HD3 LYS 93 - QD1 LEU 132 OK 18 99 - 18 - ~10092=3, 10299=2...(4) HB2 MET 68 - QD1 LEU 132 OK 17 62 - 27 - 2.9/8434=4, 1.8/10300=4...(7) HG2 ARG 140 - QD1 LEU 132 OK 12 92 - 13 - 11574/9600=1 Peak 10423 from cnoeabs.peaks (1.77, 0.59, 23.59 ppm; 4.65 A): 6 out of 7 assignments used, quality = 0.89: HG LEU 39 + QD1 LEU 132 OK 52 99 - 53 - 3.0/4514=7, ~864=5...(23) HB2 PRO 12 + QD1 LEU 132 OK 36 89 - 41 - 2.3/4513=3, 2.3/4513=3...(21) HG LEU 95 + QD1 LEU 132 OK 30 85 - 35 - ~8741=5, 1903=5...(13) HG2 PRO 57 + QD1 LEU 132 OK 25 62 - 41 - 2.3/10422=8, 10423=8...(10) HB3 MET 59 + QD1 LEU 132 OK 21 89 - 24 - 4.8/8320=5, 3.9/6538=4...(6) HB3 ARG 55 + QD1 LEU 132 OK 10 96 - 11 - 4.4/6518=3, 8249/9683=2 HB3 ARG 35 - QD1 LEU 132 lone 9 100 - 9 - 2.9/10911=1, 602/4729=1 Peak 10424 from cnoeabs.peaks (2.19, 0.40, 25.33 ppm; 4.76 A): 4 out of 6 assignments used, quality = 0.99: HB2 MET 113 + QD2 LEU 132 OK 85 92 - 93 - 4.2/9330=35, 3.0/9328=30...(15) HB3 PRO 57 + QD2 LEU 132 OK 61 100 - 61 - 10589/9570=12, ~10423=12...(19) HB3 LYS 86 + QD2 LEU 132 OK 57 96 - 60 - 2696/2.1=4, 2.9/4506=4...(37) HG2 PRO 129 + QD2 LEU 132 OK 56 85 - 66 - 3.8/9591=29...(9) HG2 GLU 75 - QD2 LEU 132 OK 25 81 - 31 - 3.9/10293=3, ~8638=3...(13) HB2 MET 46 - QD2 LEU 132 OK 24 92 - 26 - 10711/8738=8...(8) Peak 10426 from cnoeabs.peaks (1.90, 2.42, 33.16 ppm; 3.46 A): 8 out of 48 assignments used, quality = 0.81: HB ILE 136 + HG2 GLN 133 OK 31 85 - 36 - 2.5/9671=5, 4528/4.0=4...(14) HB ILE 136 + HG3 GLN 133 OK 30 85 - 35 - 2.5/9671=5, 4528/4.0=4...(13) QE MET 68 + HG2 GLN 133 OK 16 98 - 16 - 1995=2, 1995/1.8=2...(4) QE MET 68 + HG3 GLN 133 OK 16 98 - 16 - 1995/1.8=2, 1995=2...(4) HB ILE 101 + HG2 GLN 47 OK 15 91 - 17 - ~10182=5, 10675/3.6=5...(4) HB ILE 101 + HG3 GLN 47 OK 15 91 - 17 - ~10182=5, 10675/3.6=5...(4) QE MET 68 + HG3 GLN 47 OK 11 86 - 13 - 10675/3.6=2, 1995/1.8=2, 1995=2 QE MET 68 + HG2 GLN 47 OK 11 86 - 13 - 10675/3.6=2, 1995/1.8=2, 1995=2 HB ILE 136 - HG3 GLN 47 poor 9 72 - 13 - 10675/3.6=1, 2.5/9671=1 HB ILE 136 - HG2 GLN 47 poor 9 72 - 13 - 10675/3.6=1, 2.5/9671=1 HB ILE 101 - HG2 GLN 133 lone 9 100 - 9 - 9168/4.0=3 HB3 ARG 140 - HG3 GLN 47 poor 9 72 - 12 - 10473/3.6=6, 10474/3.0=3 HB3 ARG 140 - HG2 GLN 47 poor 9 72 - 12 - 10473/3.6=6, 10474/3.0=3 HB ILE 101 - HG3 GLN 133 lone 9 100 - 9 - 9168/4.0=3 HB3 LEU 69 - HG2 GLN 47 lone 9 89 - 10 - 10675/3.6=3, 9879/3.5=1...(4) HB3 LEU 69 - HG3 GLN 47 lone 9 89 - 10 - 10675/3.6=3, 9879/3.5=1...(4) HB3 LEU 69 - HG2 GLN 133 lone 8 99 - 8 - 3.2/9930=1, 2019/4.0=1 HB3 LEU 69 - HG3 GLN 133 lone 8 100 - 8 - 3.2/9930=1, 2019/4.0=1 HB3 GLN 111 - HG3 GLN 133 lone 5 99 - 5 - HB3 GLN 111 - HG2 GLN 133 lone 5 99 - 5 - HB3 ARG 89 - HG3 GLN 47 lone 5 90 - 5 - 10675/3.6=2, 3.5/10315=1 HB3 ARG 89 - HG2 GLN 47 lone 5 90 - 5 - 10675/3.6=2, 3.5/10315=1 HB3 ARG 140 - HG2 GLN 133 lone 3 85 - 4 - HB3 ARG 140 - HG3 GLN 133 lone 3 85 - 4 - HB3 ARG 89 - HG3 GLN 133 lone 3 100 - 3 - HB2 LYS 24 - HG3 GLN 47 lone 3 90 - 3 - HB2 LYS 24 - HG2 GLN 47 lone 3 90 - 3 - HB3 ARG 89 - HG2 GLN 133 lone 3 100 - 3 - HB2 LYS 24 - HG3 GLN 133 lone 3 100 - 3 - HB2 LYS 24 - HG2 GLN 133 lone 3 100 - 3 - HG13 ILE 83 - HG2 GLN 133 lone 2 77 - 3 - HG13 ILE 83 - HG3 GLN 133 lone 2 77 - 3 - HB3 ARG 141 - HG3 GLN 47 lone 2 56 - 4 - HB3 ARG 141 - HG2 GLN 47 lone 2 56 - 4 - HB3 LYS 93 - HG2 GLN 47 lone 2 68 - 3 - HB3 LYS 93 - HG3 GLN 47 lone 2 68 - 3 - HB2 LYS 86 - HG3 GLN 133 lone 2 68 - 3 - HB2 LYS 86 - HG2 GLN 133 lone 2 67 - 3 - HB3 GLN 111 - HG3 GLN 47 lone 2 88 - 2 - HB3 GLN 111 - HG2 GLN 47 lone 2 88 - 2 - HB3 LYS 93 - HG2 GLN 133 lone 1 81 - 2 - HB3 LYS 93 - HG3 GLN 133 lone 1 81 - 2 - HG13 ILE 83 - HG2 GLN 47 lone 1 64 - 2 - HG13 ILE 83 - HG3 GLN 47 lone 1 64 - 2 - HB2 LYS 86 - HG3 GLN 47 lone 1 56 - 2 - HB2 LYS 86 - HG2 GLN 47 lone 1 56 - 2 - HB3 ARG 141 - HG3 GLN 133 lone 1 68 - 1 - HB3 ARG 141 - HG2 GLN 133 lone 1 67 - 1 - Peak 10427 from cnoeabs.peaks (1.62, 2.42, 33.16 ppm; 4.77 A): 8 out of 28 assignments used, quality = 0.67: HG3 ARG 49 + HG3 GLN 133 OK 15 85 - 18 - 3.0/10312=6, ~10312=4...(5) HG3 ARG 49 + HG2 GLN 133 OK 15 85 - 18 - 3.0/10312=6, ~10312=4...(5) HG3 ARG 49 + HG2 GLN 47 OK 14 72 - 19 - 8183/4.9=6, 3.0/10312=5 HG3 ARG 49 + HG3 GLN 47 OK 14 72 - 19 - 8183/4.9=6, 3.0/10312=5 HB3 LEU 64 + HG3 GLN 133 OK 12 92 - 13 - ~8373=3, ~8373=3...(4) HB3 LEU 64 + HG2 GLN 133 OK 11 91 - 12 - ~8373=3, ~8373=3...(4) HG3 LYS 34 + HG3 GLN 47 OK 11 88 - 13 - 8183/4.9=3, 2.9/10807=1...(5) HG3 LYS 34 + HG2 GLN 47 OK 11 88 - 13 - 8183/4.9=3, 2.9/10807=1...(5) HG3 LYS 34 - HG2 GLN 133 lone 7 99 - 7 - HG3 LYS 34 - HG3 GLN 133 lone 7 99 - 7 - HB3 LEU 64 - HG2 GLN 47 lone 6 79 - 8 - 8183/4.9=3 HB3 LEU 64 - HG3 GLN 47 lone 6 79 - 8 - 8183/4.9=3 HB2 LEU 87 - HG3 GLN 133 lone 5 89 - 6 - ~8892=2, ~8892=1 HB2 LEU 87 - HG2 GLN 133 lone 5 88 - 6 - ~8892=2, ~8892=1 HG3 ARG 144 - HG3 GLN 47 lone 5 79 - 7 - 8183/4.9=1 HG3 ARG 144 - HG2 GLN 47 lone 5 79 - 7 - 8183/4.9=1 HG3 ARG 144 - HG3 GLN 133 lone 5 92 - 5 - HG3 ARG 144 - HG2 GLN 133 lone 4 91 - 4 - HD2 LYS 24 - HG3 GLN 47 lone 4 88 - 4 - 8183/4.9=1 HD2 LYS 24 - HG2 GLN 47 lone 4 88 - 4 - 8183/4.9=1 HB2 LEU 87 - HG3 GLN 47 lone 4 76 - 5 - 8183/4.9=3 HB2 LEU 87 - HG2 GLN 47 lone 4 76 - 5 - 8183/4.9=3 HD2 LYS 24 - HG3 GLN 133 lone 2 99 - 2 - HD2 LYS 24 - HG2 GLN 133 lone 2 99 - 2 - HB3 LEU 26 - HG3 GLN 133 lone 2 81 - 3 - HB3 LEU 26 - HG2 GLN 133 lone 2 81 - 3 - HB3 LEU 26 - HG2 GLN 47 lone 2 68 - 3 - HB3 LEU 26 - HG3 GLN 47 lone 2 68 - 3 - Peak 10428 from cnoeabs.peaks (1.46, 2.42, 33.16 ppm; 4.30 A): 10 out of 24 assignments used, quality = 0.81: HG2 LYS 48 + HG3 GLN 47 OK 24 56 - 44 - 6445/4.9=9, 3.8/9821=8...(12) HG2 LYS 48 + HG2 GLN 47 OK 24 56 - 44 - 6445/4.9=9, 3.8/9821=8...(12) HB3 LYS 123 + HG3 GLN 47 OK 14 68 - 21 - ~4148=3, ~4137=3...(9) HB3 LYS 123 + HG2 GLN 47 OK 14 68 - 21 - ~4148=3, ~4137=3...(9) HG2 LYS 48 + HG3 GLN 133 OK 14 68 - 21 - 3.8/9821=3, 4.9/6438=3...(9) HG2 LYS 48 + HG2 GLN 133 OK 14 67 - 21 - 3.8/9821=3, 4.9/6438=3...(9) HB2 LYS 76 + HG3 GLN 133 OK 13 99 - 13 - 3.5/10312=3, ~11554=2...(6) HB2 LYS 76 + HG2 GLN 133 OK 13 99 - 13 - 3.5/10312=3, ~11554=2...(6) HB3 LEU 66 + HG3 GLN 133 OK 11 81 - 14 - 3.1/10309=3, 1891/4.0=3...(4) HB3 LEU 66 + HG2 GLN 133 OK 11 81 - 14 - 3.1/10309=3, 1891/4.0=3...(4) HB3 LYS 123 - HG3 GLN 133 lone 7 81 - 9 - 3.0/10310=2, ~10310=2 HB3 LYS 123 - HG2 GLN 133 lone 7 81 - 9 - 3.0/10310=2, ~10310=2 HB2 LYS 76 - HG2 GLN 47 lone 5 88 - 6 - 3.5/10312=1, 6445/4.9=1 HB2 LYS 76 - HG3 GLN 47 lone 5 88 - 6 - 3.5/10312=1, 6445/4.9=1 HB3 LEU 66 - HG3 GLN 47 lone 3 68 - 4 - HB3 LEU 66 - HG2 GLN 47 lone 3 68 - 4 - HG3 LYS 86 - HG3 GLN 133 lone 2 96 - 2 - HG3 LYS 86 - HG2 GLN 133 lone 2 96 - 2 - HG LEU 126 - HG2 GLN 47 lone 2 91 - 2 - HG LEU 126 - HG3 GLN 47 lone 2 91 - 2 - HG LEU 126 - HG3 GLN 133 lone 2 100 - 2 - HG LEU 126 - HG2 GLN 133 lone 2 100 - 2 - HG3 LYS 86 - HG3 GLN 47 lone 1 84 - 2 - HG3 LYS 86 - HG2 GLN 47 lone 1 84 - 2 - Peak 10429 from cnoeabs.peaks (0.76, 2.42, 33.16 ppm; 4.41 A): 3 out of 20 assignments used, quality = 0.95: QD1 ILE 136 + HG2 GLN 133 OK 72 100 - 72 - 10453/3.5=26...(16) QD1 ILE 136 + HG3 GLN 133 OK 72 100 - 72 - 10453/3.5=26...(15) QD1 LEU 72 + HG2 GLN 133 OK 34 100 - 34 - 9911/1.8=10, 9911=9...(6) QD1 LEU 72 - HG3 GLN 133 OK 34 100 - 34 - 9911=10, 9911/1.8=9...(6) QD2 LEU 72 - HG3 GLN 133 OK 32 100 - 32 - 2.1/9911=8, ~9911=6...(8) QD2 LEU 72 - HG2 GLN 133 OK 32 99 - 32 - 2.1/9911=8, ~9911=6...(8) QG2 VAL 73 - HG2 GLN 133 OK 23 99 - 23 - 8554/3.5=8, 9618/4.0=5...(4) QG2 VAL 73 - HG3 GLN 133 OK 23 100 - 23 - 8554/3.5=8, 9618/4.0=5...(4) QD1 ILE 136 - HG3 GLN 47 OK 19 90 - 20 - 9671=3, 9671/1.8=2...(6) QD1 ILE 136 - HG2 GLN 47 OK 19 90 - 20 - 9671=3, 9671/1.8=2...(6) QD1 LEU 72 - HG3 GLN 47 OK 15 91 - 16 - 9911=4, 9911/1.8=4...(5) QD1 LEU 72 - HG2 GLN 47 OK 15 91 - 16 - 9911=4, 9911/1.8=4...(5) QD2 LEU 72 - HG3 GLN 47 OK 14 89 - 16 - 2.1/9911=3, ~9911=2...(6) QD2 LEU 72 - HG2 GLN 47 OK 14 89 - 16 - 2.1/9911=3, ~9911=2...(6) QD1 LEU 108 - HG3 GLN 47 OK 11 64 - 16 - 3509/4.9=5, 9944/1.8=2...(7) QD1 LEU 108 - HG2 GLN 47 OK 11 64 - 16 - 3509/4.9=5, 9944/1.8=2...(7) QD1 LEU 108 - HG2 GLN 133 poor 9 77 - 12 - 9618/4.0=3, 9944/1.8=1, 9944=1 QD1 LEU 108 - HG3 GLN 133 poor 9 77 - 12 - 9618/4.0=3, 9944/1.8=1, 9944=1 QG2 VAL 73 - HG2 GLN 47 lone 7 89 - 7 - 2179/4.9=2 QG2 VAL 73 - HG3 GLN 47 lone 7 89 - 7 - 2179/4.9=2 Peak 10431 from cnoeabs.peaks (1.38, 3.83, 58.15 ppm; 4.63 A): 6 out of 7 assignments used, quality = 0.95: HG LEU 132 + HA GLN 133 OK 78 100 - 78 - 2.1/9619=21, 2.1/9620=20...(13) HB3 LEU 39 + HA GLN 133 OK 45 100 - 45 - 1.8/9616=13, 3.0/8134=8...(14) HB2 LEU 69 + HA GLN 133 OK 32 98 - 32 - 7681/2.8=5, 4.0/6680=3...(12) HB VAL 82 + HA GLN 133 OK 15 94 - 16 - 4472/4.9=4, 7681/2.8=4...(4) HG2 ARG 49 + HA GLN 133 OK 13 92 - 14 - 7681/2.8=4, 4472/4.9=3, ~10983=2 HB2 ARG 109 + HA GLN 133 OK 13 100 - 13 - 3.6/11127=2, 7681/2.8=2 HG2 LYS 86 - HA GLN 133 lone 8 77 - 10 - 7681/2.8=2, 4472/4.9=2 Peak 10433 from cnoeabs.peaks (8.22, 2.42, 33.16 ppm; 5.05 A): 5 out of 20 assignments used, quality = 0.93: H ILE 136 + HG3 GLN 133 OK 61 98 - 62 - 4527/4.0=18...(13) H ILE 136 + HG2 GLN 133 OK 59 98 - 61 - 4527/4.0=18...(13) H THR 74 + HG2 GLN 133 OK 25 100 - 25 - 10436/3.5=7, 4527/4.0=5...(8) H THR 74 + HG3 GLN 133 OK 24 100 - 25 - 10436/3.5=7, 4527/4.0=5...(8) H ARG 124 + HG2 GLN 133 OK 24 88 - 27 - 4527/4.0=8, 10436/3.5=7...(6) H ARG 124 - HG3 GLN 133 OK 24 89 - 27 - 4527/4.0=8, 10436/3.5=7...(6) H ILE 136 - HG3 GLN 47 OK 17 86 - 19 - ~10471=3, 3.9/9674=2...(7) H ILE 136 - HG2 GLN 47 OK 17 86 - 19 - ~10471=3, 3.9/9674=2...(7) H THR 74 - HG2 GLN 47 OK 11 91 - 12 - 6775/4.9=2, ~1100=2, ~1110=1 H THR 74 - HG3 GLN 47 OK 11 91 - 12 - 6775/4.9=2, ~1100=2, ~1110=1 H ARG 124 - HG2 GLN 47 poor 8 76 - 10 - 4.8/10310=3, 4.2/10428=2 H ARG 124 - HG3 GLN 47 poor 8 76 - 10 - 4.8/10310=3, 4.2/10428=2 H GLY 125 - HG2 GLN 133 lone 5 94 - 5 - 4527/4.0=2 H GLY 125 - HG3 GLN 133 lone 5 94 - 5 - 4527/4.0=2 H MET 11 - HG2 GLN 133 lone 5 67 - 7 - 4.8/8001=1 H MET 11 - HG3 GLN 133 lone 5 68 - 7 - 4.8/8001=1 H MET 11 - HG3 GLN 47 lone 3 56 - 6 - 4.8/8001=2 H MET 11 - HG2 GLN 47 lone 3 56 - 6 - 4.8/8001=2 H GLY 125 - HG2 GLN 47 lone 2 82 - 2 - H GLY 125 - HG3 GLN 47 lone 2 82 - 2 - Peak 10434 from cnoeabs.peaks (8.21, 2.14, 27.86 ppm; 4.97 A): 2 out of 10 assignments used, quality = 0.94: H ILE 136 + HB2 GLN 133 OK 76 98 - 78 - 4527/3.0=21, 7725/4.5=20...(15) H ILE 136 + HB3 GLN 133 OK 76 98 - 78 - 4527/3.0=21, 7725/4.5=20...(15) H ARG 124 - HB2 GLN 133 OK 24 100 - 24 - 4527/3.0=9, 10436/4.5=6...(7) H ARG 124 - HB3 GLN 133 OK 24 100 - 24 - 4527/3.0=9, 10436/4.5=6...(7) H THR 74 - HB2 GLN 133 OK 19 85 - 22 - 4527/3.0=6, 10436/4.5=6...(5) H THR 74 - HB3 GLN 133 OK 19 85 - 22 - 4527/3.0=6, 10436/4.5=6...(5) H MET 11 - HB2 GLN 133 lone 5 99 - 5 - 4527/3.0=1 H MET 11 - HB3 GLN 133 lone 5 99 - 5 - 4527/3.0=1 H ARG 141 - HB2 GLN 133 lone 2 81 - 3 - H ARG 141 - HB3 GLN 133 lone 2 81 - 3 - Peak 10438 from cnoeabs.peaks (8.68, 2.42, 33.16 ppm; 5.04 A): 2 out of 12 assignments used, quality = 0.95: H ASN 130 + HG2 GLN 133 OK 79 96 - 82 - 10390/4.5=21...(14) H ASN 130 + HG3 GLN 133 OK 78 96 - 81 - 10390/4.5=21...(13) H VAL 53 - HG3 GLN 133 OK 13 81 - 16 - 4.0/9847=5, ~1383=2...(7) H VAL 53 - HG2 GLN 133 OK 12 81 - 15 - 4.0/9847=5, ~1383=2...(6) H ASN 130 - HG2 GLN 47 OK 11 84 - 13 - 2.9/8179=3, ~8179=3...(5) H ASN 130 - HG3 GLN 47 OK 11 84 - 13 - 2.9/8179=3, ~8179=3...(5) H VAL 53 - HG2 GLN 47 OK 11 68 - 16 - 3.6/10456=6, ~10981=2...(6) H VAL 53 - HG3 GLN 47 OK 11 68 - 16 - 3.6/10456=6, ~10981=2...(6) H THR 92 - HG3 GLN 133 lone 6 100 - 6 - H THR 92 - HG2 GLN 133 lone 6 100 - 6 - H THR 92 - HG2 GLN 47 lone 4 90 - 4 - H THR 92 - HG3 GLN 47 lone 4 90 - 4 - Peak 10439 from cnoeabs.peaks (3.96, 2.42, 33.16 ppm; 4.05 A): 4 out of 24 assignments used, quality = 0.94: HA LYS 48 + HG3 GLN 47 OK 64 86 - 75 - 9821=13, ~6437=11...(17) HA LYS 48 + HG2 GLN 47 OK 64 86 - 75 - 9821=13, ~6437=11...(17) HA LYS 48 + HG3 GLN 133 OK 29 98 - 30 - 9821=6, 9821/1.8=4...(12) HA LYS 48 + HG2 GLN 133 OK 29 98 - 30 - 9821=6, 9821/1.8=4...(12) HB3 SER 103 - HG2 GLN 47 OK 18 88 - 21 - 1.8/8177=3, ~1099=2...(10) HB3 SER 103 - HG3 GLN 47 OK 18 88 - 21 - 1.8/8177=3, ~1099=2...(10) HA PHE 106 - HG3 GLN 133 lone 9 100 - 9 - 3.0/4566=2, ~4566=1, ~4557=1 HA PHE 106 - HG2 GLN 133 lone 9 100 - 9 - 3.0/4566=2, ~4566=1, ~4557=1 HA PHE 106 - HG2 GLN 47 lone 6 91 - 7 - 6442/4.9=3 HA PHE 106 - HG3 GLN 47 lone 6 91 - 7 - 6442/4.9=3 HB3 SER 103 - HG3 GLN 133 lone 5 99 - 5 - HB3 SER 103 - HG2 GLN 133 lone 5 99 - 5 - HA ALA 60 - HG2 GLN 47 lone 5 90 - 5 - ~8328=2 HA ALA 60 - HG3 GLN 47 lone 5 90 - 5 - ~8328=2 HA3 GLY 94 - HG3 GLN 133 lone 3 100 - 3 - 9056/9911=1 HA3 GLY 94 - HG2 GLN 133 lone 3 100 - 3 - 9056/9911=1 HA3 GLY 94 - HG2 GLN 47 lone 3 90 - 3 - 6442/4.9=1 HA3 GLY 94 - HG3 GLN 47 lone 3 90 - 3 - 6442/4.9=1 HA ALA 60 - HG3 GLN 133 lone 3 100 - 3 - HA ALA 60 - HG2 GLN 133 lone 3 100 - 3 - HA3 GLY 143 - HG3 GLN 47 lone 1 56 - 2 - HA3 GLY 143 - HG2 GLN 47 lone 1 56 - 2 - HA3 GLY 143 - HG3 GLN 133 lone 1 68 - 1 - HA3 GLY 143 - HG2 GLN 133 lone 1 67 - 1 - Peak 10442 from cnoeabs.peaks (0.41, 1.52, 18.21 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.76: QD2 LEU 132 + QB ALA 135 OK 65 72 - 90 - 2.1/9628=30, 3.2/9626=27...(23) QG2 VAL 82 + QB ALA 135 OK 31 81 - 38 - 8743/9646=7...(13) Peak 10443 from cnoeabs.peaks (0.68, 1.52, 18.21 ppm; 3.31 A): 4 out of 4 assignments used, quality = 0.82: QD1 ILE 83 + QB ALA 135 OK 61 98 - 62 - 10317=23, 3.1/10017=8...(19) QD2 LEU 66 + QB ALA 135 OK 31 81 - 37 - 10317=12, 2.1/9628=9...(9) QD2 LEU 39 + QB ALA 135 OK 20 77 - 25 - 2.1/9643=6, 10978=5...(6) HB3 LEU 116 + QB ALA 135 OK 18 100 - 18 - 3.1/10964=7, 10317=2...(4) Peak 10444 from cnoeabs.peaks (0.87, 1.52, 18.21 ppm; 2.70 A): 5 out of 7 assignments used, quality = 0.76: QG2 ILE 136 + QB ALA 135 OK 48 85 - 56 - 10319=20, 2.3/10964=14...(12) QG2 ILE 101 + QB ALA 135 OK 24 85 - 28 - 10319=10, 3.1/10319=4...(6) QD1 ILE 101 + QB ALA 135 OK 18 72 - 25 - 10319=9, 3.1/10319=4...(7) QD1 LEU 97 + QB ALA 135 OK 17 92 - 18 - 10319=6, 3.2/9626=2, 9113/2.1=1 QG2 ILE 56 + QB ALA 135 OK 12 94 - 13 - 10319=4, 3.1/9628=2 QD1 LEU 64 - QB ALA 135 lone 6 72 - 8 - 2.1/11012=2, 9195/9626=1 HB3 LEU 42 - QB ALA 135 lone 5 99 - 5 - Peak 10445 from cnoeabs.peaks (6.64, 4.26, 54.53 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.53: HD21 ASN 84 + HA ALA 135 OK 53 92 - 58 - 8841=22, 8848/2.1=22...(4) HE22 GLN 111 - HA ALA 135 lone 1 89 - 1 - Peak 10446 from cnoeabs.peaks (6.96, 4.26, 54.53 ppm; 5.35 A): 0 out of 2 assignments used, low quality = 0.33: HD21 ASN 139 - HA ALA 135 OK 33 68 - 49 - ~9735=13, 9732/2.1=10...(10) QD PHE 38 - HA ALA 135 lone 2 100 - 2 - Peak 10447 from cnoeabs.peaks (8.05, 4.21, 54.36 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.81: H GLN 133 + HA ALA 134 OK 81 89 - 91 - 9660/2.1=44, 7714/2.8=37...(16) Peak 10448 from cnoeabs.peaks (8.15, 4.21, 54.36 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.66: H SER 138 + HA ALA 134 OK 54 81 - 66 - 3.2/4571=29, 4.5/4572=17...(7) H THR 107 + HA ALA 134 OK 26 99 - 27 - 7250/2.8=7, 3.5/4567=6...(8) Peak 10450 from cnoeabs.peaks (8.45, 1.52, 18.21 ppm; 4.35 A): 3 out of 3 assignments used, quality = 0.89: H ASP 137 + QB ALA 135 OK 84 100 - 84 - 7752/3.7=28, 7757/2.9=26...(17) H GLY 15 + QB ALA 135 OK 19 92 - 21 - 7752/3.7=7, 7737/2.9=5...(4) H LYS 123 + QB ALA 135 OK 18 62 - 29 - 5.0/10318=7, 4.7/4590=6...(11) Peak 10451 from cnoeabs.peaks (8.04, 1.52, 18.21 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.96: H GLN 133 + QB ALA 135 OK 96 100 - 96 - 7729/2.9=34, 9660/4.0=33...(19) H ILE 58 - QB ALA 135 OK 32 89 - 36 - 4.5/9626=6, 7729/2.9=5...(12) H ARG 144 - QB ALA 135 lone 5 72 - 6 - 7729/2.9=1 Peak 10452 from cnoeabs.peaks (8.89, 1.52, 18.21 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.78: H ASN 84 + QB ALA 135 OK 71 100 - 71 - 5.7/9659=18...(15) H LYS 34 + QB ALA 135 OK 24 96 - 25 - 3.0/4586=5, 6936/9659=3...(9) Peak 10453 from cnoeabs.peaks (7.80, 0.76, 13.00 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.66: HE22 GLN 133 + QD1 ILE 136 OK 66 89 - 74 - 1.7/9664=27...(9) Peak 10454 from cnoeabs.peaks (7.91, 0.76, 13.00 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.57: HD22 ASN 139 + QD1 ILE 136 OK 35 72 - 48 - 3.5/10752=12...(7) H ILE 83 + QD1 ILE 136 OK 34 89 - 38 - 4.0/11135=6, 3.4/8792=6...(12) Peak 10455 from cnoeabs.peaks (8.06, 0.76, 13.00 ppm; 5.03 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10456 from cnoeabs.peaks (7.80, 0.88, 16.73 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.72: HE22 GLN 133 + QG2 ILE 136 OK 58 77 - 75 - 10453/3.0=25...(11) H GLY 94 + QG2 ILE 136 OK 34 72 - 47 - 10458/2.1=12, 3.2/9034=4...(16) Peak 10457 from cnoeabs.peaks (8.00, 0.88, 16.73 ppm; 4.72 A): 3 out of 6 assignments used, quality = 0.97: H ARG 140 + QG2 ILE 136 OK 84 98 - 86 - ~4599=17, 4.6/10336=17...(23) H VAL 73 + QG2 ILE 136 OK 62 100 - 62 - 3.2/4611=9, 6768/4.0=6...(21) H ALA 104 + QG2 ILE 136 OK 53 100 - 53 - 2.9/9195=8, 2.8/10328=8...(18) H GLN 47 - QG2 ILE 136 OK 22 92 - 24 - 4.6/10710=4, 4.6/9676=4...(8) H ARG 145 - QG2 ILE 136 OK 15 89 - 17 - ~10390=6, 6.0/10335=2...(4) H THR 51 - QG2 ILE 136 lone 3 62 - 5 - Peak 10458 from cnoeabs.peaks (7.81, 1.91, 37.90 ppm; 5.05 A): 2 out of 4 assignments used, quality = 0.72: H GLY 94 + HB ILE 136 OK 65 100 - 66 - 10456/2.1=12, 7105/2.9=8...(21) H SER 44 + HB ILE 136 OK 21 94 - 22 - ~9679=4, ~10326=4...(7) H THR 110 - HB ILE 136 poor 10 68 - 14 - 4.6/11118=2, 7302/3.0=2...(6) H TYR 27 - HB ILE 136 lone 3 81 - 4 - Peak 10459 from cnoeabs.peaks (9.46, 1.91, 37.90 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10461 from cnoeabs.peaks (4.47, 1.65, 28.66 ppm; 5.40 A): 1 out of 10 assignments used, quality = 0.97: HA ASP 137 + HG13 ILE 136 OK 97 98 - 99 - 9679/2.3=29, 2.9/4634=27...(33) HA ASP 41 - HG13 ILE 136 OK 34 92 - 37 - 9679/2.3=8, ~10462=6...(8) HA SER 44 - HG13 ILE 136 OK 28 100 - 28 - 10326/2.1=7, 9679/2.3=6...(6) HA ASP 137 - HD3 LYS 93 OK 24 78 - 31 - 2.9/4634=6, 4650/3.4=3...(8) HA SER 44 - HD3 LYS 93 OK 22 81 - 27 - ~8167=3, ~10108=3...(10) HA SER 103 - HG13 ILE 136 OK 21 100 - 21 - 9679/2.3=5, 10326/2.1=4...(4) HA SER 103 - HD3 LYS 93 OK 18 82 - 22 - 10151/4.9=5, ~10154=3...(5) HA3 GLY 31 - HG13 ILE 136 lone 8 100 - 8 - 9679/2.3=2, 10460/4.5=1 HA ASP 41 - HD3 LYS 93 lone 4 70 - 6 - HA3 GLY 31 - HD3 LYS 93 lone 2 82 - 3 - Peak 10462 from cnoeabs.peaks (2.80, 0.88, 16.73 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.89: HB3 ASN 139 + QG2 ILE 136 OK 82 100 - 82 - 4601/3.2=26, ~4600=18...(15) HB3 ASP 41 + QG2 ILE 136 OK 30 96 - 31 - 4601/3.2=7, 3.0/9679=7...(9) HE3 LYS 114 + QG2 ILE 136 OK 12 62 - 19 - 1.8/9676=4, ~9670=2...(6) HB2 ASN 128 - QG2 ILE 136 lone 9 92 - 9 - 4601/3.2=2, 3.9/9523=2...(4) Peak 10463 from cnoeabs.peaks (3.23, 0.88, 16.73 ppm; 4.05 A): 4 out of 6 assignments used, quality = 0.98: HD2 ARG 140 + QG2 ILE 136 OK 80 99 - 81 - 2.9/11575=12, 10503=10...(49) HD3 ARG 140 + QG2 ILE 136 OK 65 81 - 80 - 2.9/11575=12...(48) HD3 ARG 89 + QG2 ILE 136 OK 46 94 - 49 - 10499/9679=6, 2900/2.1=4...(24) HD3 ARG 124 + QG2 ILE 136 OK 46 85 - 53 - 1.8/10333=10, ~9668=7...(22) HG3 MET 46 - QG2 ILE 136 OK 16 77 - 21 - 3.0/9676=4, 3.0/10710=4...(8) HB3 TYR 117 - QG2 ILE 136 poor 9 89 - 10 - 4.5/11705=4, 4.5/10328=3 Peak 10465 from cnoeabs.peaks (1.53, 0.99, 28.66 ppm; 4.83 A): 4 out of 9 assignments used, quality = 0.97: QB ALA 135 + HG12 ILE 136 OK 70 89 - 78 - 10964=27, 3.7/7749=25...(15) HG2 LYS 93 + HG12 ILE 136 OK 65 98 - 67 - 9689/2.1=9, 3.0/4631=6...(33) HG3 PRO 57 + HG12 ILE 136 OK 53 68 - 79 - ~8263=11, ~9672=10...(31) HD2 LYS 76 + HG12 ILE 136 OK 40 100 - 40 - 9689/2.1=7, ~9688=5...(14) HG3 LYS 76 - HG12 ILE 136 OK 31 98 - 32 - 9689/2.1=7, ~9689=4...(11) HB2 LEU 29 - HG12 ILE 136 OK 23 92 - 25 - ~9672=7, 9689/2.1=3...(9) HG2 ARG 55 - HG12 ILE 136 poor 9 77 - 12 - ~8249=8, ~11135=2, 9689/2.1=1 HG3 LYS 85 - HG12 ILE 136 poor 9 77 - 11 - 9693/3.7=2, 9689/2.1=2...(4) HG3 ARG 55 - HG12 ILE 136 poor 8 68 - 12 - ~8249=8, ~11135=2 Peak 10466 from cnoeabs.peaks (1.99, 0.76, 13.00 ppm; 2.76 A): 5 out of 10 assignments used, quality = 0.73: QE MET 113 + QD1 ILE 136 OK 46 100 - 46 - 9331=19, 9330/9686=8...(9) HB2 GLN 111 + QD1 ILE 136 OK 25 96 - 26 - 10341=9, 3.0/10752=3...(8) QE MET 59 + QD1 ILE 136 OK 17 100 - 17 - 10661/3.0=3, 1635/2.5=2 HG3 PRO 52 + QD1 ILE 136 OK 12 85 - 13 - 10341=4, 1.8/4637=1...(4) HB3 GLU 75 + QD1 ILE 136 OK 10 62 - 16 - 10341=4, 3.0/10332=2...(6) HB VAL 63 - QD1 ILE 136 lone 7 100 - 7 - QE MET 11 - QD1 ILE 136 lone 6 81 - 7 - 10341=3 HB3 GLU 90 - QD1 ILE 136 lone 6 68 - 9 - 10341=2, 3.0/8957=2, ~8958=1 HB2 GLU 142 - QD1 ILE 136 lone 4 94 - 4 - 10341=2 HG3 GLU 122 - QD1 ILE 136 lone 4 72 - 5 - 3.0/9689=1, 9577/9686=1 Peak 10467 from cnoeabs.peaks (1.26, 0.76, 13.00 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.96: HB2 LEU 132 + QD1 ILE 136 OK 93 100 - 93 - 3.2/9686=30, 10340=22...(40) HB3 LEU 97 + QD1 ILE 136 OK 41 98 - 42 - 10340=9, 3.2/4638=5...(17) QG2 THR 99 - QD1 ILE 136 OK 38 100 - 38 - 10340=8, 9155/3.0=5...(11) QG2 THR 102 - QD1 ILE 136 OK 16 96 - 17 - 10340=4, 9191/3.0=2...(4) HG3 LYS 61 - QD1 ILE 136 OK 16 100 - 16 - 10340=4, 4504/9686=3...(5) HG2 LYS 61 - QD1 ILE 136 OK 15 100 - 15 - 1.8/10340=3, 4504/9686=3...(4) Peak 10468 from cnoeabs.peaks (1.68, 4.26, 60.42 ppm; 4.47 A): 6 out of 10 assignments used, quality = 0.86: HG3 ARG 141 + HA SER 138 OK 47 99 - 48 - 2.8/10469=16...(10) HD2 LYS 93 + HA SER 138 OK 46 100 - 46 - 10345=22, 3.4/10344=11...(10) HB2 LEU 95 + HA SER 138 OK 30 72 - 41 - 1.8/10345=16, 3128=4...(12) HG2 ARG 89 + HA SER 138 OK 13 72 - 17 - 10372/4.9=10, 2.8/9717=3 HD3 LYS 48 + HA SER 138 OK 11 96 - 12 - 3.0/9718=2, 3069/10344=2 HG LEU 97 + HA SER 138 OK 11 98 - 11 - 3.0/9718=2, 2.1/10948=2...(4) HD2 LYS 48 - HA SER 138 lone 7 72 - 10 - 3.0/9718=2, 3.6/9717=1 HG LEU 26 - HA SER 138 lone 3 85 - 4 - HB2 ARG 145 - HA SER 138 lone 3 85 - 3 - HB VAL 71 - HA SER 138 lone 2 72 - 3 - Peak 10469 from cnoeabs.peaks (1.81, 4.26, 60.42 ppm; 3.74 A): 3 out of 8 assignments used, quality = 0.46: HB2 ARG 141 + HA SER 138 OK 29 89 - 33 - 1.8/9717=9, 3.5/9715=7...(8) HB VAL 80 + HA SER 138 OK 13 100 - 13 - ~9702=7, ~9991=2 HD3 LYS 36 + HA SER 138 OK 13 94 - 13 - ~9712=4, ~9698=2...(5) HB3 MET 68 - HA SER 138 lone 6 89 - 7 - ~10474=2, 4.2/8420=1 HB3 LEU 72 - HA SER 138 lone 5 96 - 6 - ~10474=1 HD3 LYS 86 - HA SER 138 lone 3 68 - 4 - 1.8/10345=3 HB2 MET 11 - HA SER 138 lone 2 100 - 2 - HB2 ARG 124 - HA SER 138 lone 2 72 - 2 - Peak 10470 from cnoeabs.peaks (2.77, 4.26, 60.42 ppm; 4.65 A): 5 out of 7 assignments used, quality = 0.71: HE2 LYS 114 + HA SER 138 OK 32 81 - 40 - 9719/3.0=6, 9719/3.0=6...(12) HB3 ASN 84 + HA SER 138 OK 32 81 - 39 - 3.0/10349=26, 3.5/8843=5...(5) HB2 ASP 41 + HA SER 138 OK 17 100 - 17 - 3.0/10472=7, 899/4.9=3...(5) HG3 GLN 111 + HA SER 138 OK 14 85 - 17 - 3.9/10485=4, 3.0/9717=4...(6) HB3 TYR 119 + HA SER 138 OK 12 77 - 15 - ~10709=7, 9719/3.0=2...(5) HE3 LYS 76 - HA SER 138 lone 8 92 - 9 - 9719/3.0=1, 9719/3.0=1, ~7779=1 HE2 LYS 76 - HA SER 138 lone 7 77 - 9 - 9719/3.0=1, 9719/3.0=1 Peak 10472 from cnoeabs.peaks (4.46, 4.26, 60.42 ppm; 4.36 A): 2 out of 5 assignments used, quality = 0.93: HA ASP 137 + HA SER 138 OK 90 94 - 95 - 4.9=69, 7777/2.9=26...(19) HA ASP 41 + HA SER 138 OK 27 99 - 27 - 7789/3.6=7, 7777/2.9=5...(8) HA SER 103 - HA SER 138 poor 9 72 - 12 - 7789/3.6=3, 7777/2.9=3 HA3 GLY 31 - HA SER 138 lone 7 77 - 9 - 4.9/10350=3, 7777/2.9=2 HA SER 44 - HA SER 138 lone 6 68 - 9 - 7777/2.9=3, 7789/3.6=2 Peak 10473 from cnoeabs.peaks (3.70, 4.01, 62.85 ppm; 4.00 A): 0 out of 3 assignments used, low quality = 0.38: HA THR 107 - HB3 SER 100 OK 29 77 - 38 - ~11044=6, 3448=5...(11) HA ILE 136 - HB3 SER 100 OK 13 92 - 14 - ~9162=2, ~4602=2...(6) HA ILE 91 - HB3 SER 100 lone 8 100 - 8 - 8964=3, ~7047=1 Peak 10476 from cnoeabs.peaks (3.70, 4.46, 56.38 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.95: HA ILE 136 + HA ASP 137 OK 95 98 - 97 - 5.0=71, 3.2/9679=22...(28) HA THR 107 - HA ASP 137 OK 32 89 - 36 - 3.0/4647=8, 7760/2.9=7...(10) HA ILE 91 - HA ASP 137 OK 22 100 - 22 - 7760/2.9=5, 7775/3.6=4...(8) HB THR 74 - HA ASP 137 poor 9 72 - 12 - 7760/2.9=4, 7775/3.6=2 Peak 10480 from cnoeabs.peaks (8.45, 4.26, 60.42 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.93: H ASP 137 + HA SER 138 OK 93 99 - 94 - 7776/2.9=41, 7788/3.6=29...(18) H GLY 15 + HA SER 138 OK 13 72 - 18 - 7776/2.9=5, 7788/3.6=4...(5) Peak 10481 from cnoeabs.peaks (8.44, 4.00, 62.89 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.94: H ASP 137 + HB2 SER 138 OK 76 85 - 89 - 7776/4.0=29...(16) H ASP 137 + HB3 SER 138 OK 76 85 - 89 - 7776/4.0=29...(16) H LYS 61 - HB2 SER 138 lone 1 62 - 2 - H LYS 61 - HB3 SER 138 lone 1 62 - 2 - Peak 10482 from cnoeabs.peaks (6.95, 4.00, 62.89 ppm; 5.57 A): 2 out of 6 assignments used, quality = 0.90: HD21 ASN 139 + HB2 SER 138 OK 69 99 - 69 - 10491/4.7=31...(7) HD21 ASN 139 + HB3 SER 138 OK 69 99 - 69 - 10491/4.7=31...(7) QD PHE 38 - HB2 SER 138 lone 7 81 - 8 - 9794/9721=3, 10491/4.7=2 QD PHE 38 - HB3 SER 138 lone 7 81 - 8 - 9794/9721=3, 10491/4.7=2 QD PHE 23 - HB2 SER 138 lone 4 68 - 6 - 10187/3723=1 QD PHE 23 - HB3 SER 138 lone 4 68 - 6 - 10187/3723=1 Peak 10485 from cnoeabs.peaks (4.64, 4.26, 60.42 ppm; 5.81 A): 4 out of 6 assignments used, quality = 0.94: HA ASN 139 + HA SER 138 OK 85 85 - 100 - 4.8=100 HA GLN 111 + HA SER 138 OK 34 100 - 34 - 3.9/10348=7, 10484/2.9=5...(10) HA ASP 32 + HA SER 138 OK 25 100 - 25 - 3.0/9716=7, 10484/2.9=5...(8) HA LEU 87 + HA SER 138 OK 12 100 - 12 - 3.0/9718=2, 7794/3.6=2 HG1 THR 110 - HA SER 138 lone 6 100 - 6 - 7794/3.6=1 HA ASP 16 - HA SER 138 lone 2 62 - 3 - Peak 10486 from cnoeabs.peaks (4.65, 4.00, 62.89 ppm; 3.89 A): 2 out of 14 assignments used, quality = 0.94: HA ASN 139 + HB2 SER 138 OK 75 100 - 75 - 3.0/4673=15...(17) HA ASN 139 + HB3 SER 138 OK 75 100 - 75 - 3.0/4673=15...(17) HA GLN 111 - HB2 SER 138 OK 17 94 - 18 - 10484/4.0=3, 7794/4.7=2...(6) HA GLN 111 - HB3 SER 138 OK 17 94 - 18 - 10484/4.0=3, 7794/4.7=2...(6) HA ASP 32 - HB2 SER 138 poor 10 92 - 11 - 10484/4.0=3, 10350/3.0=2...(5) HA ASP 32 - HB3 SER 138 poor 10 92 - 11 - 10484/4.0=3, 10350/3.0=2...(5) HA GLN 62 - HB2 SER 138 poor 8 81 - 10 - 7794/4.7=3, 10350/3.0=2 HA GLN 62 - HB3 SER 138 poor 8 81 - 10 - 7794/4.7=3, 10350/3.0=2 HA LEU 87 - HB2 SER 138 lone 6 81 - 7 - 10350/3.0=1 HA LEU 87 - HB3 SER 138 lone 6 81 - 7 - 10350/3.0=1 HG1 THR 110 - HB3 SER 138 lone 3 94 - 4 - HG1 THR 110 - HB2 SER 138 lone 3 94 - 4 - HA MET 11 - HB3 SER 138 lone 2 68 - 2 - HA MET 11 - HB2 SER 138 lone 2 68 - 2 - Peak 10487 from cnoeabs.peaks (4.27, 2.83, 39.41 ppm; 4.38 A): 5 out of 27 assignments used, quality = 0.75: HA ARG 140 + HB2 ASN 139 OK 38 46 - 82 - 2.9/7819=27, 10497=22...(13) HA SER 138 + HB2 ASN 139 OK 29 46 - 63 - 3.6/7795=26...(8) HA ALA 135 + HB2 ASN 139 OK 20 40 - 51 - 4.9/4600=18...(7) HA ARG 140 + HB2 ASP 40 OK 19 96 - 19 - 10368=6, 2.9/7819=6, 4.9/4682=5 HA SER 138 + HB2 ASP 40 OK 14 96 - 14 - 3.6/7795=6, 4.8/4682=5 HA ARG 49 - HB2 ASP 40 lone 8 100 - 8 - 1238/4.4=2, ~6286=1 HA ARG 49 - HB2 ASN 139 poor 7 51 - 14 - 10354/3.0=2, 9748/3.5=2...(6) HA ALA 135 - HB2 ASP 40 lone 7 89 - 7 - 4.9/4600=3 HA ARG 140 - HB3 ASN 54 poor 7 64 - 10 - ~11658=4, 10497=3...(4) HA LEU 95 - HB2 ASN 139 poor 6 51 - 11 - 9748/3.5=2, 10354/3.0=2...(5) HB THR 99 - HB2 ASN 139 lone 3 48 - 6 - 10354/3.0=1, 2.1/10117=1 HB THR 99 - HB2 ASP 40 lone 2 98 - 2 - 2.1/10117=1 HA PRO 118 - HB2 ASN 139 lone 2 38 - 6 - 7823/4.6=3 HA LEU 95 - HB2 ASP 40 lone 2 100 - 2 - HA LEU 95 - HB3 ASN 54 lone 2 70 - 3 - ~10437=1 HA ALA 135 - HB3 ASN 54 lone 2 56 - 3 - HA SER 138 - HB3 ASN 54 lone 2 64 - 2 - HA PRO 118 - HB2 ASP 40 lone 1 85 - 2 - HA3 GLY 78 - HB2 ASN 139 lone 1 40 - 3 - HA PRO 118 - HB3 ASN 54 lone 1 53 - 2 - HA2 GLY 50 - HB2 ASN 139 lone 1 42 - 3 - HA ARG 49 - HB3 ASN 54 lone 1 69 - 1 - HA2 GLY 50 - HB2 ASP 40 lone 1 92 - 1 - HA3 GLY 78 - HB2 ASP 40 lone 1 89 - 1 - HB THR 99 - HB3 ASN 54 lone 0 66 - 1 - HA2 GLY 50 - HB3 ASN 54 lone 0 59 - 1 - HA3 GLY 78 - HB3 ASN 54 lone 0 56 - 1 - Peak 10488 from cnoeabs.peaks (7.36, 2.82, 39.01 ppm; 5.41 A): 0 out of 4 assignments used, low quality = 0.21: QD PHE 43 - HB2 ASP 40 OK 21 33 - 63 - ~875=19, ~875=17, ~876=7...(14) H GLY 77 - HB2 ASN 139 lone 9 100 - 9 - 10777/9729=3, 8682/4600=2 QD PHE 43 - HB2 ASN 139 lone 2 77 - 3 - 10197/3739=1 H GLY 77 - HB2 ASP 40 lone 2 51 - 4 - Peak 10490 from cnoeabs.peaks (8.17, 2.82, 39.01 ppm; 4.69 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10493 from cnoeabs.peaks (1.73, 2.80, 39.01 ppm; 4.54 A): 7 out of 9 assignments used, quality = 0.90: HG3 ARG 140 + HB3 ASN 139 OK 47 89 - 53 - 4.9/7820=21...(9) HB3 GLU 81 + HB3 ASN 139 OK 37 99 - 38 - 10362/3.0=7, 9731/3.5=6...(11) HB2 GLU 81 + HB3 ASN 139 OK 33 92 - 36 - ~10362=6, 9741/1.8=5...(11) HG3 ARG 89 + HB3 ASN 139 OK 24 96 - 25 - 10362/3.0=6, 7827/4.6=5...(9) HB3 ARG 144 + HB3 ASN 139 OK 20 100 - 20 - 3.0/10495=5, 9731/3.5=4...(6) HB2 ARG 49 + HB3 ASN 139 OK 14 85 - 16 - 8201/4.6=3, 3.0/10495=2...(6) HD2 LYS 36 + HB3 ASN 139 OK 12 100 - 12 - 9731/3.5=4, 9741/1.8=2...(5) HG LEU 66 - HB3 ASN 139 lone 9 94 - 10 - 9741/1.8=2, 9731/3.5=2...(4) HB3 ARG 109 - HB3 ASN 139 lone 6 89 - 7 - 10362/3.0=2, ~9740=1, 9731/3.5=1 Peak 10494 from cnoeabs.peaks (1.89, 2.80, 39.01 ppm; 5.08 A): 4 out of 9 assignments used, quality = 0.87: HB3 ARG 140 + HB3 ASN 139 OK 72 100 - 72 - 4.0/7820=31, ~10368=17...(10) HB3 GLN 111 + HB3 ASN 139 OK 35 92 - 39 - ~10361=7, 3628/3.0=6...(13) HB3 ARG 89 + HB3 ASN 139 OK 19 85 - 23 - 7825/4.6=7, ~10362=5...(5) HB3 ARG 141 + HB3 ASN 139 OK 11 100 - 11 - 7825/4.6=8 HB2 LYS 24 - HB3 ASN 139 lone 7 85 - 8 - 11371/3.0=2, 3.7/10495=2 HB3 LYS 93 - HB3 ASN 139 lone 5 100 - 5 - 7825/4.6=2, ~10362=1 HB ILE 101 - HB3 ASN 139 lone 5 81 - 6 - 7825/4.6=2, 3331/10336=1 HB3 LEU 69 - HB3 ASN 139 lone 2 62 - 3 - HB3 LYS 48 - HB3 ASN 139 lone 2 62 - 3 - 9730/3.5=1 Peak 10495 from cnoeabs.peaks (1.63, 2.80, 39.01 ppm; 5.14 A): 0 out of 7 assignments used, low quality = 0.36: HB2 LEU 87 - HB3 ASN 139 OK 20 77 - 26 - 3.0/4697=4, ~2786=3...(13) HB3 LEU 64 - HB3 ASN 139 OK 10 81 - 13 - ~9729=3, ~10363=3...(4) HG3 ARG 144 - HB3 ASN 139 OK 10 81 - 12 - 3.0/10493=4, ~10362=3...(4) HB3 LEU 26 - HB3 ASN 139 lone 5 92 - 6 - 10659/10026=3, 10365/1.8=2 HG3 ARG 49 - HB3 ASN 139 lone 5 72 - 7 - 3.0/10493=3, ~9741=2 HG3 LYS 34 - HB3 ASN 139 lone 4 100 - 4 - ~10519=1 HD2 LYS 24 - HB3 ASN 139 lone 3 100 - 3 - 3.7/10494=1 Peak 10496 from cnoeabs.peaks (0.88, 1.93, 30.10 ppm; 5.52 A): 4 out of 14 assignments used, quality = 1.00: QG2 ILE 136 + HB2 ARG 140 OK 95 100 - 95 - 10329/3.0=18...(50) QG2 ILE 101 + HB2 ARG 140 OK 77 100 - 77 - 11016/2.9=11...(36) QG2 ILE 136 + HB2 PRO 118 OK 75 85 - 88 - ~9667=14, 10329/2.3=14...(36) QD1 ILE 101 + HB2 ARG 140 OK 72 98 - 73 - 11015/2.9=10...(30) QD1 LEU 97 - HB2 ARG 140 OK 29 100 - 29 - 10132/1.8=4, 11016/2.9=3...(12) QG2 VAL 80 - HB2 ARG 140 OK 21 72 - 29 - 9738/4.0=4, 9958/4.7=4...(8) QG2 VAL 80 - HB2 PRO 118 OK 18 55 - 33 - 9956/4.3=5, 11705/3.0=4...(11) QG2 ILE 101 - HB2 PRO 118 OK 17 85 - 20 - 11705/3.0=3, ~11705=2...(4) HB3 LEU 42 - HB2 PRO 118 OK 17 59 - 28 - ~8147=6, ~11701=6...(8) QD1 ILE 101 - HB2 PRO 118 OK 15 81 - 19 - 11705/3.0=3, ~11705=2...(4) QG2 ILE 56 - HB2 ARG 140 OK 11 62 - 17 - 10604/4.0=4, 11016/2.9=1...(7) QD1 LEU 97 - HB2 PRO 118 poor 9 85 - 10 - 11705/3.0=2 HB3 LEU 42 - HB2 ARG 140 lone 6 77 - 8 - QG2 ILE 56 - HB2 PRO 118 lone 3 47 - 6 - Peak 10497 from cnoeabs.peaks (2.83, 4.28, 57.11 ppm; 4.66 A): 4 out of 5 assignments used, quality = 0.92: HB2 ASN 139 + HA ARG 140 OK 85 98 - 87 - 7819/2.9=29, 10368=24...(14) HB2 ASP 40 + HA ARG 140 OK 23 100 - 23 - 10368=7, 7819/2.9=6, 4682/4.9=5 HE3 LYS 114 + HA ARG 140 OK 22 92 - 25 - 10368=8, 4682/4.9=6...(5) HB3 ASN 54 + HA ARG 140 OK 10 100 - 10 - ~11658=5, 10487=2...(4) HB2 ASN 130 - HA ARG 140 lone 7 98 - 7 - 10368=3, 7819/2.9=2, 4682/4.9=1 Peak 10498 from cnoeabs.peaks (4.46, 1.74, 27.04 ppm; 4.24 A): 3 out of 5 assignments used, quality = 0.82: HA ASP 137 + HG3 ARG 140 OK 72 94 - 77 - 9703=18, 4722/2.9=15...(20) HA ASP 41 + HG3 ARG 140 OK 20 99 - 20 - 10369/3.8=4, 7814/4.9=4...(5) HA SER 103 + HG3 ARG 140 OK 18 72 - 25 - 4722/2.9=5, 4712/2.9=4...(6) HA SER 44 - HG3 ARG 140 poor 8 68 - 12 - 4722/2.9=3, 4712/2.9=2...(5) HA3 GLY 31 - HG3 ARG 140 lone 6 77 - 7 - 10369/3.8=2, 4712/2.9=2...(4) Peak 10499 from cnoeabs.peaks (4.46, 3.23, 43.40 ppm; 3.76 A): 1 out of 5 assignments used, quality = 0.50: HA ASP 137 + HD3 ARG 89 OK 50 100 - 50 - 10372/3.0=18, 9713=16...(11) HA SER 103 - HD3 ARG 89 lone 5 100 - 5 - 10372/3.0=2 HA ASP 41 - HD3 ARG 89 lone 5 96 - 6 - 10372/3.0=2 HA SER 44 - HD3 ARG 89 lone 4 99 - 4 - 10372/3.0=1 HA3 GLY 31 - HD3 ARG 89 lone 2 100 - 2 - Peak 10502 from cnoeabs.peaks (3.94, 4.24, 56.73 ppm; 3.99 A): 0 out of 8 assignments used, low quality = 0.30: HA LYS 48 - HA ARG 141 OK 20 92 - 22 - 3.8/4772=3, 3.0/4771=3...(8) HA2 GLY 143 - HA ARG 141 OK 12 77 - 16 - 3.0/7865=6, ~7864=4...(6) HA3 GLY 94 - HA ARG 141 poor 9 81 - 11 - ~9051=2, 9046=2...(5) HA ALA 60 - HA ARG 141 lone 2 81 - 3 - 2.1/9816=1 HA LYS 86 - HA ARG 141 lone 2 72 - 2 - HD3 PRO 129 - HA ARG 141 lone 1 100 - 1 - HA PHE 106 - HA ARG 141 lone 1 72 - 2 - HA LEU 29 - HA ARG 141 lone 1 99 - 1 - Peak 10503 from cnoeabs.peaks (0.87, 3.22, 43.34 ppm; 3.71 A): 5 out of 14 assignments used, quality = 0.94: QG2 ILE 136 + HD2 ARG 140 OK 67 89 - 75 - 11016/2.9=10, 10463=9...(47) QG2 ILE 136 + HD3 ARG 140 OK 49 66 - 74 - 10334=10, 11016/2.9=10...(47) QG2 ILE 101 + HD2 ARG 140 OK 37 89 - 42 - 11016/2.9=7, 11015/2.9=6...(18) QD1 ILE 101 + HD2 ARG 140 OK 29 77 - 37 - 11016/2.9=6, 11015/2.9=5...(15) QG2 ILE 101 + HD3 ARG 140 OK 27 66 - 41 - 11016/2.9=7, 11015/2.9=6...(18) QD1 ILE 101 - HD3 ARG 140 OK 20 55 - 37 - 11016/2.9=6, 11015/2.9=5...(15) QD1 LEU 97 - HD2 ARG 140 OK 12 94 - 13 - 11016/2.9=2, 10132/3.4=2 QG2 ILE 56 - HD2 ARG 140 lone 9 92 - 10 - 10604/6.0=2, 11016/2.9=2 QD1 LEU 97 - HD3 ARG 140 poor 8 71 - 11 - 11016/2.9=2, 10132/3.4=2 QG2 ILE 56 - HD3 ARG 140 lone 7 69 - 9 - 10604/6.0=2, 11016/2.9=2 HB3 LEU 42 - HD2 ARG 140 lone 3 98 - 3 - HB3 LEU 42 - HD3 ARG 140 lone 2 76 - 3 - QD1 LEU 64 - HD2 ARG 140 lone 2 68 - 2 - QD1 LEU 64 - HD3 ARG 140 lone 1 47 - 2 - Peak 10504 from cnoeabs.peaks (0.76, 3.22, 43.34 ppm; 4.86 A): 2 out of 10 assignments used, quality = 0.97: QD1 ILE 136 + HD2 ARG 140 OK 91 99 - 92 - 10377=14, 10759/2.9=12...(55) QD1 ILE 136 + HD3 ARG 140 OK 71 78 - 92 - 10759/2.9=12...(55) QD2 LEU 72 - HD2 ARG 140 OK 21 100 - 21 - 10377=4, 10377/1.8=3...(6) QG2 VAL 73 - HD2 ARG 140 OK 19 98 - 19 - 8574/5.4=6, 2179/6.0=3...(5) QD1 LEU 72 - HD2 ARG 140 OK 19 100 - 19 - 2.1/10377=3, 2156/6.0=2...(6) QD2 LEU 72 - HD3 ARG 140 OK 16 80 - 20 - 10377/1.8=3, 10377=3...(6) QD1 LEU 72 - HD3 ARG 140 OK 14 79 - 17 - 2156/6.0=2, ~10377=2...(6) QG2 VAL 73 - HD3 ARG 140 OK 14 76 - 18 - 8574/5.4=6, 2179/6.0=3...(5) QD1 LEU 108 - HD2 ARG 140 lone 3 68 - 4 - QD1 LEU 108 - HD3 ARG 140 lone 2 47 - 4 - Peak 10505 from cnoeabs.peaks (1.08, 1.68, 27.30 ppm; 3.54 A): 0 out of 2 assignments used, low quality = 0.39: QD2 LEU 26 - HG3 ARG 141 OK 39 99 - 39 - 279=9, 2.1/271=6...(15) HG2 ARG 35 - HG3 ARG 141 lone 5 89 - 5 - Peak 10507 from cnoeabs.peaks (4.64, 2.10, 29.77 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.76: HA ASN 139 + HB3 GLU 142 OK 57 100 - 58 - 10359/3.0=29, 10358=25...(4) HA ASP 32 + HB3 GLU 142 OK 33 98 - 34 - 10378/1.8=8, 3.0/4851=6...(10) HA GLN 111 + HB3 GLU 142 OK 15 99 - 15 - 10508/3.0=3, 3606/1.8=2...(6) HA GLN 62 - HB3 GLU 142 poor 10 68 - 14 - 10379/3.0=4, 10508/3.0=3 HA LEU 87 - HB3 GLU 142 lone 7 92 - 7 - 10378/1.8=2 HG1 THR 110 - HB3 GLU 142 lone 5 99 - 5 - ~9288=1 Peak 10508 from cnoeabs.peaks (4.65, 2.32, 36.46 ppm; 5.11 A): 4 out of 14 assignments used, quality = 0.81: HA ASN 139 + HG2 GLU 142 OK 65 100 - 66 - 10359=45, 10358/3.0=22...(5) HA ASP 32 + HG2 GLU 142 OK 25 81 - 31 - 10380/3.0=10...(6) HA GLN 62 + HG2 GLU 142 OK 16 92 - 18 - 10379/4.0=4, 10507/3.0=3...(4) HA GLN 111 + HG2 GLU 142 OK 15 85 - 17 - 10507/3.0=4, 2.9/4854=3...(7) HA LEU 87 - HG2 GLU 142 lone 5 68 - 8 - 10507/3.0=2, 10378/3.0=2 HG1 THR 110 - HG2 GLU 142 lone 5 85 - 6 - 10507/3.0=2, ~9288=1 HA LEU 87 - HG3 GLU 120 poor 3 21 - 16 - 4.0/8642=9, ~10767=2...(4) HA ASN 139 - HG3 GLU 120 lone 2 39 - 6 - 10380/4849=2, 10361/4842=2 HA GLN 62 - HG3 GLU 120 lone 2 32 - 7 - HA MET 11 - HG2 GLU 142 lone 2 81 - 2 - HA GLN 111 - HG3 GLU 120 lone 1 29 - 4 - HA ASP 32 - HG3 GLU 120 lone 1 27 - 3 - 10380/4849=1 HG1 THR 110 - HG3 GLU 120 lone 0 29 - 1 - HA MET 11 - HG3 GLU 120 lone 0 27 - 1 - Peak 10510 from cnoeabs.peaks (8.01, 4.25, 56.56 ppm; 4.11 A): 0 out of 4 assignments used, low quality = 0.12: H ALA 104 - HA GLU 142 OK 12 77 - 15 - 10509/2.9=5, 2.9/9204=2...(7) H THR 51 - HA GLU 142 lone 7 100 - 7 - 8207/10518=3, 3.6/1306=2 H VAL 73 - HA GLU 142 lone 3 68 - 4 - 10509/2.9=2 H ARG 145 - HA GLU 142 lone 2 100 - 2 - Peak 10513 from cnoeabs.peaks (7.28, 1.87, 30.76 ppm; 5.72 A): 0 out of 3 assignments used, low quality = 0.00: H PHE 67 - HB2 ARG 144 poor 6 62 - 10 - 8398/3.0=4, 6650/1.8=2 QE PHE 106 - HB2 ARG 144 lone 1 96 - 1 - HZ2 TRP 17 - HB2 ARG 144 lone 1 89 - 1 - Peak 10514 from cnoeabs.peaks (6.93, 1.87, 30.76 ppm; 4.92 A): 0 out of 2 assignments used, low quality = 0.20: QD PHE 23 - HB2 ARG 144 OK 20 81 - 25 - 10821/4.0=17, 4794/4.0=7 QD TYR 112 - HB2 ARG 144 lone 3 100 - 3 - 8553/8597=1 Peak 10515 from cnoeabs.peaks (8.48, 3.93, 45.14 ppm; 5.26 A): 0 out of 1 assignment used, low quality = 0.00: H VAL 80 - HA2 GLY 143 lone 5 92 - 6 - 4.1/11636=4 Peak 10516 from cnoeabs.peaks (4.12, 4.36, 55.57 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.64: HA ARG 145 + HA ARG 144 OK 64 92 - 69 - 3.0/7887=37, ~7886=14...(8) HB THR 110 - HA ARG 144 lone 1 81 - 1 - HA THR 99 - HA ARG 144 lone 1 62 - 1 - Peak 10517 from cnoeabs.peaks (3.92, 4.36, 55.57 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.58: HA2 GLY 143 + HA ARG 144 OK 58 72 - 80 - 3.5/4874=34...(10) HD2 PRO 129 - HA ARG 144 lone 9 100 - 9 - ~7875=3, 7875/3.0=2 HA TYR 112 - HA ARG 144 lone 3 89 - 3 - 4.9/10384=2 HA LYS 86 - HA ARG 144 lone 2 77 - 3 - Peak 10518 from cnoeabs.peaks (4.26, 3.93, 45.14 ppm; 3.67 A): 1 out of 6 assignments used, quality = 0.55: HA GLU 142 + HA2 GLY 143 OK 55 94 - 58 - 7865/3.0=23, 9754/1.8=16...(8) HA2 GLY 50 - HA2 GLY 143 lone 9 94 - 9 - 3.6/8207=7, 9754/1.8=1 HB THR 92 - HA2 GLY 143 lone 5 77 - 6 - 7865/3.0=2, 9754/1.8=2 HA SER 138 - HA2 GLY 143 lone 2 89 - 3 - HA ALA 135 - HA2 GLY 143 lone 2 96 - 2 - HB THR 99 - HA2 GLY 143 lone 2 85 - 2 - Peak 10519 from cnoeabs.peaks (3.98, 4.36, 55.57 ppm; 4.48 A): 1 out of 9 assignments used, quality = 0.58: HA3 GLY 143 + HA ARG 144 OK 58 72 - 80 - 1.8/10381=35...(10) HB3 SER 138 - HA ARG 144 lone 4 77 - 6 - ~9717=2, 10347/5.2=2 HB2 SER 138 - HA ARG 144 lone 4 77 - 5 - ~9717=2, 10347/5.2=1 HA GLU 75 - HA ARG 144 lone 4 92 - 4 - 7876/3.0=1, 8683/6833=1 HA LEU 69 - HA ARG 144 lone 3 77 - 4 - HB3 SER 127 - HA ARG 144 lone 2 100 - 2 - HA LYS 114 - HA ARG 144 lone 2 72 - 2 - HA MET 113 - HA ARG 144 lone 1 72 - 2 - HA GLU 122 - HA ARG 144 lone 1 72 - 1 - Peak 10520 from cnoeabs.peaks (7.13, 1.57, 27.07 ppm; 5.41 A): 3 out of 9 assignments used, quality = 0.92: QD PHE 106 + HG3 ARG 145 OK 66 98 - 67 - 10385/2.9=34, 5641/3.0=8...(23) QD PHE 106 + HG2 ARG 145 OK 65 96 - 67 - 10385/2.9=34, 5641/3.0=8...(23) QD PHE 106 + HG2 ARG 109 OK 36 81 - 45 - 3.7/9234=6, 5641/3.0=5...(14) QD TYR 117 - HG2 ARG 109 poor 8 56 - 14 - ~10736=9, 9310/9336=2 QD TYR 117 - HG3 ARG 145 lone 6 72 - 8 - ~10736=5, 9310/9336=1 QD TYR 117 - HG2 ARG 145 lone 6 71 - 8 - ~10736=5, 9310/9336=1 QE PHE 45 - HG3 ARG 145 lone 3 81 - 3 - 10385/2.9=2 QE PHE 45 - HG2 ARG 145 lone 3 80 - 3 - 10385/2.9=2 QE PHE 45 - HG2 ARG 109 lone 1 64 - 2 - Peak 10521 from cnoeabs.peaks (7.32, 4.13, 57.32 ppm; 5.08 A): 0 out of 4 assignments used, low quality = 0.00: H GLU 81 - HA ARG 145 lone 6 77 - 8 - 8778/4.0=1, 8778/4.0=1...(4) H ARG 35 - HA ARG 145 lone 3 94 - 3 - 6181/3.0=1 H ASP 30 - HA ARG 145 lone 1 85 - 1 - QD TYR 115 - HA ARG 145 lone 1 77 - 1 - Peak 10523 from cnoeabs.peaks (3.21, 4.13, 57.32 ppm; 4.87 A): 5 out of 7 assignments used, quality = 0.82: HD3 ARG 124 + HA ARG 145 OK 59 92 - 65 - 3.0/10847=12, 3.0/4939=9...(23) HG3 MET 46 + HA ARG 145 OK 30 96 - 31 - 4.1/10389=23...(4) HD3 ARG 141 + HA ARG 145 OK 15 100 - 15 - ~7890=2, ~4909=2...(5) HD2 ARG 141 + HA ARG 145 OK 14 94 - 14 - ~7890=2, ~4909=2...(4) HD3 ARG 140 + HA ARG 145 OK 13 94 - 14 - 6403/10679=2...(3) HD2 ARG 140 - HA ARG 145 poor 9 68 - 13 - 6403/10679=2...(3) HB3 TYR 117 - HA ARG 145 lone 2 89 - 3 - Peak 10526 from cnoeabs.peaks (-1.14, 0.11, 19.31 ppm; 3.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10527 from cnoeabs.peaks (1.34, 3.62, 57.62 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.84: QB ALA 60 + HA LYS 61 OK 80 100 - 80 - 1648/3.0=32, 2.1/8333=20...(15) HB3 ARG 49 + HA LYS 61 OK 20 99 - 21 - 6563/3.0=5, 1643/4.8=3...(7) HD3 LYS 76 - HA LYS 61 lone 5 96 - 5 - 6563/3.0=2, 1643/4.8=1 Peak 10528 from cnoeabs.peaks (7.70, 1.26, 25.29 ppm; 5.09 A): 0 out of 6 assignments used, low quality = 0.45: H ALA 134 - HG3 LYS 61 OK 18 94 - 19 - 3.2/7679=6, ~7679=4...(6) H ALA 134 - HG2 LYS 61 OK 15 78 - 20 - 3.2/7679=6, ~7679=4...(6) H PHE 106 - HG3 LYS 61 OK 12 100 - 12 - ~8334=2, ~8334=2...(5) H PHE 106 - HG2 LYS 61 OK 10 85 - 12 - 3.0/8334=3, ~11130=2...(5) H GLU 28 - HG3 LYS 61 lone 4 100 - 4 - ~6090=1 H GLU 28 - HG2 LYS 61 lone 3 86 - 4 - ~6090=1 Peak 10529 from cnoeabs.peaks (1.33, 2.35, 32.00 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.95: QB ALA 60 + HB2 PRO 98 OK 88 100 - 89 - 8313/3.0=36, 8311/2.3=35...(16) HB3 ARG 49 + HB2 PRO 98 OK 47 92 - 51 - 8196/3.0=14, ~8195=14...(13) HG2 LYS 85 + HB2 PRO 98 OK 12 68 - 17 - 9145/3.0=7, 9144/2.3=6, ~9138=3 HD3 LYS 76 - HB2 PRO 98 lone 3 85 - 4 - 8666/4137=1 Peak 10534 from cnoeabs.peaks (2.04, 1.90, 37.21 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.97: HG2 PRO 98 + HB ILE 101 OK 91 94 - 97 - ~9175=18, ~9175=17...(32) HB3 LYS 34 + HB ILE 101 OK 61 94 - 65 - 9180/3.2=13...(27) HB2 PRO 33 - HB ILE 101 OK 35 100 - 35 - ~9792=7, 10180/3.0=6...(11) HB2 GLU 90 - HB ILE 101 OK 13 77 - 17 - 9180/3.2=4, ~8958=3...(7) Peak 10535 from cnoeabs.peaks (2.05, 0.88, 17.37 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.98: HG2 PRO 98 + QG2 ILE 101 OK 89 100 - 90 - ~9175=12, ~9175=12...(34) HG3 PRO 98 + QG2 ILE 101 OK 78 89 - 88 - ~9175=12, ~9175=12...(33) HB2 PRO 33 - QG2 ILE 101 OK 22 89 - 24 - ~9792=5, 10534/2.1=3...(12) HB2 PRO 52 - QG2 ILE 101 lone 8 96 - 8 - 2.3/11023=1 HA ARG 35 - QG2 ILE 101 lone 4 89 - 5 - ~6178=1 Peak 10540 from cnoeabs.peaks (9.32, 0.89, 13.44 ppm; 6.53 A): 1 out of 1 assignment used, quality = 0.75: H ALA 60 + QD1 ILE 101 OK 75 81 - 92 - ~8316=30, 4.6/10541=28...(19) Peak 10541 from cnoeabs.peaks (8.41, 0.89, 13.44 ppm; 5.28 A): 0 out of 4 assignments used, low quality = 0.44: H LYS 61 - QD1 ILE 101 OK 44 85 - 51 - 4.6/10540=20...(12) H GLU 75 - QD1 ILE 101 lone 10 100 - 10 - 8623/1481=2 H TYR 117 - QD1 ILE 101 lone 4 68 - 6 - 4.8/11705=2 H GLY 31 - QD1 ILE 101 lone 2 68 - 3 - Peak 10542 from cnoeabs.peaks (8.88, 0.89, 13.44 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.43: H ASN 84 - QD1 ILE 101 OK 29 81 - 35 - 5.7/3360=12, 6933/5.0=7...(8) H MET 113 - QD1 ILE 101 OK 20 77 - 26 - 4.1/10131=5, 6.2/9332=5...(5) Peak 10543 from cnoeabs.peaks (7.70, 0.89, 13.44 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.82: H ALA 134 + QD1 ILE 101 OK 69 81 - 85 - 2.8/3361=10, 2.9/3365=9...(35) H PHE 106 + QD1 ILE 101 OK 35 94 - 37 - 4.6/10172=12, 3.7/9220=6...(9) H GLU 28 + QD1 ILE 101 OK 13 96 - 13 - ~10139=3, 3.0/9172=3...(4) Peak 10544 from cnoeabs.peaks (7.97, 1.90, 37.21 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10545 from cnoeabs.peaks (3.13, 1.19, 41.53 ppm; 6.80 A): 7 out of 8 assignments used, quality = 0.87: HA LEU 79 + HB3 LEU 108 OK 45 100 - 45 - 10546/1.8=16...(16) HA VAL 80 + HB3 LEU 108 OK 36 92 - 39 - 10546/1.8=12...(6) HD2 ARG 109 + HB3 LEU 108 OK 29 68 - 43 - 5.7/7287=28...(3) HB3 PHE 106 + HB3 LEU 108 OK 19 99 - 19 - 10399/1.8=6, ~11130=6...(4) HD3 ARG 145 + HB3 LEU 108 OK 16 85 - 19 - 10399/1.8=6, ~10399=5 HD2 ARG 145 + HB3 LEU 108 OK 15 81 - 19 - 10399/1.8=6, ~10399=5 HA LEU 39 + HB3 LEU 108 OK 14 62 - 22 - 3.8/8112=12, 10546/1.8=5 HB3 ASN 96 - HB3 LEU 108 lone 5 57 - 9 - 10399/1.8=4, ~8544=2 Peak 10546 from cnoeabs.peaks (3.13, 0.93, 41.53 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.66: HA LEU 79 + HB2 LEU 108 OK 38 89 - 43 - 10545/1.8=10...(18) HA VAL 80 + HB2 LEU 108 OK 29 100 - 29 - 2410/4.4=9, 8743/10010=8...(4) HB3 PHE 106 + HB2 LEU 108 OK 14 85 - 16 - ~11130=6, 10545/1.8=4...(4) HA LEU 39 + HB2 LEU 108 OK 11 89 - 13 - 10545/1.8=3...(4) HB2 TYR 70 - HB2 LEU 108 lone 2 62 - 4 - Peak 10547 from cnoeabs.peaks (6.52, 0.93, 41.53 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.77: HZ3 TRP 88 + HB2 LEU 108 OK 77 99 - 78 - 10551/1.8=24...(13) Peak 10548 from cnoeabs.peaks (6.40, 0.93, 41.53 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10549 from cnoeabs.peaks (7.35, 0.93, 41.53 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.98: H ARG 109 + HB2 LEU 108 OK 98 98 - 100 - 4.4=100 QD PHE 43 - HB2 LEU 108 OK 42 100 - 42 - 3492/1.8=10, 3471/3.0=10...(8) H GLY 77 - HB2 LEU 108 lone 8 81 - 9 - 8675/8588=3, 8682/3.0=1 Peak 10550 from cnoeabs.peaks (7.22, 1.19, 41.53 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.73: QD PHE 45 + HB3 LEU 108 OK 48 100 - 48 - 9914/3.2=22...(7) H GLU 37 + HB3 LEU 108 OK 41 92 - 45 - 9914/3.2=24...(8) HE3 TRP 17 + HB3 LEU 108 OK 12 96 - 12 - 9914/3.2=4, 10228/3.0=3 Peak 10551 from cnoeabs.peaks (6.51, 1.19, 41.53 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.64: HZ3 TRP 88 + HB3 LEU 108 OK 64 81 - 79 - 10547/1.8=44, ~10226=24...(10) Peak 10552 from cnoeabs.peaks (8.65, 0.73, 23.80 ppm; 5.36 A): 0 out of 2 assignments used, low quality = 0.32: H ILE 56 - QD2 LEU 108 OK 32 92 - 34 - 4.0/10170=13, 4.8/3504=6...(8) H LEU 42 - QD2 LEU 108 lone 7 72 - 10 - 10733/8477=4...(3) Peak 10553 from cnoeabs.peaks (8.67, 0.75, 26.39 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.67: H THR 92 + QD1 LEU 108 OK 59 98 - 60 - 4.0/9259=17...(14) H ILE 56 + QD1 LEU 108 OK 18 89 - 21 - 10552/2.1=5, 4.8/3512=3...(7) H ASN 130 - QD1 LEU 108 lone 2 72 - 3 - Peak 10554 from cnoeabs.peaks (8.85, 3.61, 60.23 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.51: H MET 113 + HA ARG 109 OK 51 68 - 75 - 3.9/7354=36, 7373=20...(11) Peak 10555 from cnoeabs.peaks (9.54, 3.61, 60.23 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.96: HE1 TRP 88 + HA ARG 109 OK 96 98 - 98 - 5.0/9268=43...(16) Peak 10556 from cnoeabs.peaks (9.53, 1.72, 29.64 ppm; 6.73 A): 1 out of 1 assignment used, quality = 0.79: HE1 TRP 88 + HB3 ARG 109 OK 79 81 - 97 - 2.8/10734=29, ~9267=28...(18) Peak 10560 from cnoeabs.peaks (6.94, 3.41, 38.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.96: QD TYR 112 + HB3 TYR 112 OK 89 89 - 100 - 2.7=100 QD PHE 23 + HB3 TYR 112 OK 61 100 - 61 - 3669/1.8=11, 7381/4.7=10...(11) HD21 ASN 139 - HB3 TYR 112 lone 3 85 - 3 - Peak 10561 from cnoeabs.peaks (6.46, 3.41, 38.88 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10563 from cnoeabs.peaks (4.01, 1.99, 17.69 ppm; 4.29 A): 6 out of 13 assignments used, quality = 0.85: HB THR 107 + QE MET 59 OK 60 96 - 62 - 2.1/10567=21, 10401=15...(15) HA VAL 63 + QE MET 59 OK 26 62 - 42 - 10401=11, 3.2/1799=6...(13) HA LYS 123 + QE MET 59 OK 19 92 - 21 - 10401=4, 4.7/10567=4...(8) HA LEU 69 + QE MET 59 OK 16 72 - 22 - 10401=6, 4.9/10402=4...(4) HB3 SER 100 + QE MET 59 OK 15 100 - 16 - 10401=4, 1.8/10564=4 HA GLU 37 + QE MET 59 OK 11 85 - 13 - 10401=3, 3.8/1637=1...(4) HA MET 113 - QE MET 59 poor 8 77 - 10 - 3686=1, 3.0/7388=1...(5) HB2 SER 103 - QE MET 59 lone 6 100 - 6 - 10401=2 HA GLU 122 - QE MET 59 lone 6 77 - 8 - 10401=2 HA GLU 81 - QE MET 59 lone 5 81 - 6 - 10401=1 HA LYS 114 - QE MET 59 lone 3 77 - 4 - HB2 SER 138 - QE MET 59 lone 2 72 - 3 - HB3 SER 138 - QE MET 59 lone 2 72 - 3 - Peak 10564 from cnoeabs.peaks (3.83, 1.99, 17.69 ppm; 4.11 A): 6 out of 9 assignments used, quality = 0.73: HA ALA 104 + QE MET 59 OK 39 96 - 40 - 10155=14, 2.1/9200=14...(9) HA MET 68 + QE MET 59 OK 18 92 - 20 - 10402=8, 4.9/10401=2...(4) HA GLN 133 + QE MET 59 OK 17 100 - 17 - 10402=4, 9618/10466=1 HA LEU 72 + QE MET 59 OK 15 62 - 24 - 10402=8, 3.0/10406=5...(4) HB2 SER 100 + QE MET 59 OK 12 100 - 13 - 1.8/10401=4, 11044/10567=2 HD2 PRO 118 + QE MET 59 OK 12 98 - 12 - 10402=5, 3.0/1635=2 HA LEU 66 - QE MET 59 lone 8 85 - 9 - 11154/10409=1 HB2 SER 127 - QE MET 59 lone 5 89 - 6 - HA3 GLY 50 - QE MET 59 lone 1 72 - 2 - Peak 10565 from cnoeabs.peaks (1.62, 1.99, 17.69 ppm; 4.01 A): 3 out of 11 assignments used, quality = 0.93: HG LEU 108 + QE MET 59 OK 72 89 - 81 - 2.1/10408=44...(13) HB2 LEU 97 + QE MET 59 OK 58 81 - 71 - 1.8/10405=24...(17) HB3 LEU 64 + QE MET 59 OK 45 100 - 45 - 3.1/10409=12...(15) HB2 LEU 87 - QE MET 59 OK 22 100 - 22 - 3.0/10566=6, 1.8/10567=3...(5) HG3 ARG 49 - QE MET 59 OK 16 100 - 16 - 10404=3, ~10576=2...(5) HG3 LYS 48 - QE MET 59 OK 12 62 - 18 - ~9801=3, 9823/3.4=3...(6) HG2 ARG 141 - QE MET 59 poor 10 85 - 11 - 3.8/10400=4, 10404=2 HG3 LYS 34 - QE MET 59 poor 9 77 - 12 - 10522/3.4=2, 10522/3.4=2...(4) HG3 ARG 144 - QE MET 59 lone 7 100 - 7 - 10404=1, 1.8/10404=1 HD2 LYS 24 - QE MET 59 lone 6 77 - 8 - 3.0/10566=3 HG2 ARG 144 - QE MET 59 lone 5 68 - 7 - 10404=1, 1.8/10404=1 Peak 10566 from cnoeabs.peaks (1.30, 1.99, 17.69 ppm; 3.58 A): 0 out of 6 assignments used, low quality = 0.37: HG12 ILE 83 - QE MET 59 OK 28 92 - 31 - 1.8/1635=7, 3.0/1636=6...(11) HG LEU 87 - QE MET 59 OK 12 99 - 12 - 3.0/10567=2, 3.0/10565=2 HG13 ILE 58 - QE MET 59 lone 8 94 - 9 - 2.1/9815=4, 6539/6.2=2 HG12 ILE 58 - QE MET 59 lone 7 77 - 9 - 2.1/9815=4, 6539/6.2=2 HG LEU 79 - QE MET 59 lone 6 81 - 7 - 2.1/10409=3 HG3 LYS 24 - QE MET 59 lone 5 94 - 5 - Peak 10567 from cnoeabs.peaks (1.22, 1.99, 17.69 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.77: QG2 THR 107 + QE MET 59 OK 59 100 - 59 - 9251=17, 9246/10408=13...(12) HG12 ILE 101 + QE MET 59 OK 31 72 - 43 - 2.1/10407=8, 3.0/1635=8...(13) HD3 LYS 123 + QE MET 59 OK 18 100 - 18 - 3.0/9468=3, 10132=2...(7) HB3 LEU 87 - QE MET 59 poor 10 62 - 16 - 3.0/10566=5, 1.8/10565=3...(4) Peak 10568 from cnoeabs.peaks (0.87, 1.99, 17.69 ppm; 3.18 A): 6 out of 7 assignments used, quality = 0.92: QD1 LEU 97 + QE MET 59 OK 52 92 - 56 - 2.1/10107=14...(12) QG2 ILE 101 + QE MET 59 OK 40 85 - 47 - 10407=10, 2.1/1635=8...(16) QD1 ILE 101 + QE MET 59 OK 33 72 - 45 - 10407=9, 2.1/10567=7...(14) QD1 LEU 64 + QE MET 59 OK 32 72 - 45 - 10407=9, 2.1/10409=9...(14) QG2 ILE 56 + QE MET 59 OK 25 94 - 27 - 3.1/10409=4, 10407=4...(8) QG2 ILE 136 + QE MET 59 OK 20 85 - 24 - 10661=6, 2.1/1635=4...(4) HB3 LEU 42 - QE MET 59 lone 9 99 - 9 - 10407=1 Peak 10569 from cnoeabs.peaks (0.74, 1.99, 17.69 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 108 + QE MET 59 OK 65 96 - 67 - 10408=19, 4.0/10403=14...(14) QD1 LEU 108 + QE MET 59 OK 65 85 - 76 - 2.1/10408=41...(16) Peak 10570 from cnoeabs.peaks (8.51, 1.99, 17.69 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: H LEU 108 + QE MET 59 OK 92 100 - 92 - 4.8/10408=48...(10) H LYS 48 + QE MET 59 OK 30 100 - 30 - 3464/10403=5...(11) Peak 10572 from cnoeabs.peaks (8.96, 1.92, 35.50 ppm; 5.45 A): 1 out of 2 assignments used, quality = 0.96: H MET 59 + HB2 MET 59 OK 96 96 - 100 - 3.9=100 H SER 127 - HB2 MET 59 lone 9 100 - 9 - 1593/3.0=3, 10573/1.8=2 Peak 10573 from cnoeabs.peaks (8.97, 1.78, 35.50 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: H MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.9=100 H SER 127 - HB3 MET 59 OK 12 96 - 12 - 1593/3.0=4, 10572/1.8=3 Peak 10574 from cnoeabs.peaks (0.87, 2.38, 32.38 ppm; 3.44 A): 5 out of 14 assignments used, quality = 0.95: QD1 LEU 64 + HG2 MET 59 OK 52 85 - 61 - 8378=12, 8299/3.0=9...(19) QD1 LEU 64 + HG3 MET 59 OK 47 78 - 61 - 8378=11, 8299/3.0=9...(19) QD1 LEU 97 + HG2 MET 59 OK 45 81 - 56 - 2.1/9127=9, 10568/3.4=6...(19) QD1 LEU 97 + HG3 MET 59 OK 43 74 - 59 - ~9127=12, 9128/1.8=10...(19) QG2 ILE 101 + HG2 MET 59 OK 40 72 - 56 - 3.1/9181=9, 10407/3.4=6...(25) QG2 ILE 101 - HG3 MET 59 OK 36 65 - 55 - 3.1/9181=8, 10407/3.4=6...(25) QG2 ILE 83 - HG2 MET 59 OK 34 68 - 50 - 8299/3.0=7, 3.2/10413=7...(21) QG2 ILE 83 - HG3 MET 59 OK 30 60 - 49 - 8299/3.0=7, 8301/3.7=7...(21) QG2 ILE 56 - HG2 MET 59 OK 22 99 - 22 - 8299/3.0=3, 10568/3.4=3...(8) QG2 ILE 56 - HG3 MET 59 OK 20 93 - 22 - 8299/3.0=3, 10568/3.4=3...(9) QG2 ILE 136 - HG2 MET 59 OK 16 72 - 22 - 10407/3.4=2, 10410=2...(8) QG2 ILE 136 - HG3 MET 59 OK 14 65 - 21 - 10407/3.4=2, 10410=1...(8) HB3 LEU 42 - HG2 MET 59 OK 10 100 - 10 - 8299/3.0=1, 8301/3.7=1...(4) HB3 LEU 42 - HG3 MET 59 lone 10 95 - 10 - 8299/3.0=1, 8301/3.7=1...(4) Peak 10575 from cnoeabs.peaks (1.22, 2.38, 32.38 ppm; 4.54 A): 4 out of 8 assignments used, quality = 0.98: HG12 ILE 101 + HG2 MET 59 OK 69 92 - 75 - 2.1/9181=16, ~9181=11...(23) QG2 THR 107 + HG2 MET 59 OK 64 100 - 64 - 9253=19, 10567/3.4=17...(13) HG12 ILE 101 + HG3 MET 59 OK 63 84 - 75 - 2.1/9181=15, ~9181=12...(23) QG2 THR 107 + HG3 MET 59 OK 61 94 - 64 - 9253/1.8=18...(12) HD3 LYS 123 - HG2 MET 59 OK 21 99 - 22 - 10567/3.4=5, 10412=3...(8) HB3 LEU 87 - HG2 MET 59 OK 20 85 - 24 - ~10566=3, 10412=3...(12) HD3 LYS 123 - HG3 MET 59 OK 20 93 - 21 - 10567/3.4=5, 10412=3...(8) HB3 LEU 87 - HG3 MET 59 OK 18 78 - 23 - ~10566=3, 10567/3.4=3...(12) Peak 10576 from cnoeabs.peaks (1.35, 2.38, 32.38 ppm; 4.48 A): 4 out of 6 assignments used, quality = 0.64: QB ALA 60 + HG2 MET 59 OK 28 92 - 30 - 10411/3.7=15, 10413=4...(6) QB ALA 60 + HG3 MET 59 OK 24 84 - 28 - 10411/3.7=15, 10413=4...(5) HB3 ARG 49 + HG2 MET 59 OK 21 100 - 21 - 6558/4.6=4, 3.0/10700=2...(6) HB3 ARG 49 + HG3 MET 59 OK 18 94 - 19 - 6558/4.6=4, 3.0/10700=2...(6) HD3 LYS 76 - HG2 MET 59 lone 9 100 - 9 - 6558/4.6=2, 8666/2988=1 HD3 LYS 76 - HG3 MET 59 lone 8 95 - 8 - 6558/4.6=2, 8666/2988=1 Peak 10577 from cnoeabs.peaks (3.75, 1.28, 26.45 ppm; 5.58 A): 4 out of 6 assignments used, quality = 1.00: HA3 GLY 15 + HG12 ILE 58 OK 93 100 - 93 - 8026/2.1=25, ~8026=25...(14) HA2 GLY 15 + HG12 ILE 58 OK 91 100 - 91 - 8026/2.1=30, ~8026=22...(13) HA3 GLY 15 + HG13 ILE 58 OK 85 92 - 93 - 8026/2.1=25, ~8026=25...(14) HA2 GLY 15 + HG13 ILE 58 OK 83 92 - 90 - 8026/2.1=30, ~8026=22...(13) QA GLY 2 - HG12 ILE 58 lone 2 100 - 2 - QA GLY 2 - HG13 ILE 58 lone 2 90 - 2 - Peak 10578 from cnoeabs.peaks (7.74, 0.56, 11.03 ppm; 5.38 A): 3 out of 3 assignments used, quality = 0.87: H GLN 62 + QD1 ILE 58 OK 77 92 - 84 - 3.3/10579=37...(12) H LEU 132 + QD1 ILE 58 OK 37 85 - 43 - 7670/3.1=7, 7671/4.9=7...(10) H SER 100 + QD1 ILE 58 OK 11 85 - 12 - ~9161=2, 6573/10579=2...(4) Peak 10579 from cnoeabs.peaks (8.43, 0.56, 11.03 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.86: H LYS 61 + QD1 ILE 58 OK 86 92 - 94 - 8295/3.1=33, ~8330=22...(22) Peak 10580 from cnoeabs.peaks (8.29, 0.58, 16.80 ppm; 4.72 A): 4 out of 4 assignments used, quality = 0.91: H LEU 64 + QG2 ILE 58 OK 78 98 - 80 - 4.4/8349=22, 3.6/8281=22...(11) H VAL 71 + QG2 ILE 58 OK 44 100 - 44 - 11448/3.2=8, 6731=6...(14) H ASN 128 + QG2 ILE 58 OK 17 85 - 20 - 4.6/1568=5, 9523/8272=4...(7) H THR 18 + QG2 ILE 58 OK 14 94 - 15 - 11448/3.2=3...(6) Peak 10581 from cnoeabs.peaks (8.44, 1.28, 26.45 ppm; 6.09 A): 2 out of 4 assignments used, quality = 0.80: H LYS 61 + HG12 ILE 58 OK 60 62 - 97 - 10579/2.1=43, ~8330=34...(18) H LYS 61 + HG13 ILE 58 OK 50 52 - 96 - 10579/2.1=43, ~8330=34...(17) H ASP 137 - HG12 ILE 58 lone 5 85 - 6 - 10450/9626=1 H ASP 137 - HG13 ILE 58 lone 4 73 - 5 - 10450/9626=1 Peak 10582 from cnoeabs.peaks (7.71, 1.70, 39.04 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.52: H ALA 134 + HB ILE 58 OK 25 62 - 41 - ~1561=10, 10543/10179=8...(8) HD21 ASN 128 + HB ILE 58 OK 15 77 - 19 - ~8289=15, 8294/2.1=2 H GLU 28 + HB ILE 58 OK 14 85 - 16 - ~8293=5, 11460/8282=4...(5) H PHE 106 + HB ILE 58 OK 13 81 - 16 - 9226/2.9=5...(3) Peak 10583 from cnoeabs.peaks (9.31, 0.58, 16.80 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.90: H ALA 60 + QG2 ILE 58 OK 90 100 - 91 - 4.5/1568=35, 4.6/8295=32...(10) Peak 10584 from cnoeabs.peaks (6.88, 1.28, 26.45 ppm; 5.76 A): 0 out of 10 assignments used, low quality = 0.00: HZ PHE 23 - HG12 ILE 58 lone 7 100 - 7 - 11196/3.2=4 HZ PHE 23 - HG13 ILE 58 lone 7 91 - 7 - 11196/3.2=4 HE21 GLN 25 - HG12 ILE 58 lone 4 81 - 5 - 9813/2.1=3 HE21 GLN 25 - HG13 ILE 58 lone 4 69 - 5 - 9813/2.1=3 HE21 GLN 111 - HG12 ILE 58 lone 3 100 - 3 - HE21 GLN 111 - HG13 ILE 58 lone 2 90 - 3 - HE22 GLN 47 - HG12 ILE 58 lone 2 100 - 2 - HE22 GLN 47 - HG13 ILE 58 lone 2 90 - 2 - HD2 HIS 14 - HG12 ILE 58 lone 2 62 - 3 - HD2 HIS 14 - HG13 ILE 58 lone 1 52 - 3 - Peak 10585 from cnoeabs.peaks (7.15, 1.65, 31.87 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.87: QE TYR 115 + HB2 PRO 57 OK 81 99 - 82 - 10590/2.3=28, 10421=26...(17) QD TYR 117 + HB2 PRO 57 OK 29 89 - 33 - 9862/3.0=11, 10590/2.3=9...(5) Peak 10586 from cnoeabs.peaks (8.01, 2.18, 31.87 ppm; 5.10 A): 0 out of 3 assignments used, low quality = 0.29: H ARG 145 - HB3 PRO 57 OK 29 96 - 31 - 7886/3.9=13, 7896/2.3=4...(7) H THR 51 - HB3 PRO 57 lone 6 100 - 6 - 10653/10587=1...(3) H ALA 104 - HB3 PRO 57 lone 3 62 - 5 - Peak 10587 from cnoeabs.peaks (8.55, 2.18, 31.87 ppm; 5.49 A): 3 out of 3 assignments used, quality = 0.55: H MET 46 + HB3 PRO 57 OK 29 81 - 36 - 2.9/1042=10, 5.1/1076=6...(7) H LYS 85 + HB3 PRO 57 OK 22 77 - 28 - 3.0/8861=8, 4.7/6981=6...(9) H CYS 121 + HB3 PRO 57 OK 18 96 - 19 - 9443/10589=7, 9449/2.3=3 Peak 10589 from cnoeabs.peaks (7.17, 2.18, 31.87 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.55: QE TYR 115 + HB3 PRO 57 OK 55 85 - 64 - 10421/1.8=14...(13) Peak 10590 from cnoeabs.peaks (7.15, 1.78, 27.60 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.86: QE TYR 115 + HG2 PRO 57 OK 80 99 - 81 - 10585/2.3=28...(13) QD TYR 117 + HG2 PRO 57 OK 26 89 - 30 - 9862/2.3=11...(4) Peak 10591 from cnoeabs.peaks (4.33, 1.52, 27.60 ppm; 5.91 A): 0 out of 2 assignments used, low quality = 0.18: HA TYR 70 - HG3 PRO 57 OK 18 100 - 18 - 1485/2.3=6, 1487/2.3=6...(4) HA PRO 12 - HG3 PRO 57 lone 5 100 - 5 - 1485/2.3=1, 1487/2.3=1 Peak 10592 from cnoeabs.peaks (0.58, 1.78, 27.60 ppm; 3.90 A): 4 out of 5 assignments used, quality = 0.94: QG1 VAL 71 + HG2 PRO 57 OK 58 100 - 58 - 9895=12, 8513/2.3=10...(19) QD1 LEU 66 + HG2 PRO 57 OK 54 92 - 59 - 10423=24, 8521/2.3=13...(10) QD1 ILE 56 + HG2 PRO 57 OK 48 72 - 67 - 3.1/11009=12, 8253/2.3=9...(20) QD1 LEU 132 + HG2 PRO 57 OK 40 100 - 40 - 10423=13, 10422/2.3=7...(11) QG2 ILE 58 - HG2 PRO 57 OK 22 96 - 23 - 10427/3.8=16, ~10419=3 Peak 10593 from cnoeabs.peaks (0.63, 1.67, 31.76 ppm; 3.58 A): 0 out of 3 assignments used, low quality = 0.28: QD2 LEU 64 - HB VAL 71 OK 28 100 - 28 - 10424=8, ~8518=6...(5) QD2 LEU 79 - HB VAL 71 poor 10 77 - 13 - ~8496=2, ~10999=2...(5) QD1 LEU 126 - HB VAL 71 lone 9 96 - 10 - 9497/3.8=2, 10257=2...(4) Peak 10594 from cnoeabs.peaks (0.56, 4.41, 62.67 ppm; 4.97 A): 0 out of 1 assignment used, low quality = 0.39: QD1 ILE 58 - HA PRO 57 OK 39 100 - 39 - 1585/3.6=19, 10419/2.3=8...(6) Peak 10595 from cnoeabs.peaks (1.08, 0.60, 11.24 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.58: QD2 LEU 26 + QD1 ILE 56 OK 58 99 - 58 - 10428=22, 5.0/10868=7...(18) HG2 ARG 35 - QD1 ILE 56 lone 6 89 - 7 - 6085/10868=2 Peak 10597 from cnoeabs.peaks (1.67, 0.60, 11.24 ppm; 4.09 A): 3 out of 12 assignments used, quality = 0.65: HG2 ARG 124 + QD1 ILE 56 OK 45 94 - 48 - 1.8/10676=7, 10674=6...(16) HG LEU 97 + QD1 ILE 56 OK 25 68 - 38 - 2.1/1481=6, ~9129=5...(17) HB VAL 71 + QD1 ILE 56 OK 14 99 - 14 - 10424=1, 4616/9683=1 HG2 ARG 89 - QD1 ILE 56 lone 9 99 - 9 - 10372/11203=3, ~10143=1 HB2 MET 68 - QD1 ILE 56 lone 8 92 - 9 - 3.0/8438=1, ~8436=1 HG3 ARG 141 - QD1 ILE 56 poor 7 72 - 10 - 10505/10595=8 HG2 ARG 140 - QD1 ILE 56 poor 7 62 - 11 - ~11016=2, 11015/3.1=1 HD2 LYS 93 - QD1 ILE 56 lone 6 92 - 6 - 1.8/9684=1, 3.0/8335=1 HB2 ARG 145 - QD1 ILE 56 lone 5 100 - 5 - HB2 LEU 95 - QD1 ILE 56 lone 4 99 - 4 - HD2 LYS 48 - QD1 ILE 56 lone 3 99 - 3 - HD3 LYS 48 - QD1 ILE 56 lone 3 100 - 3 - Peak 10598 from cnoeabs.peaks (6.72, 1.69, 26.81 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.57: HZ PHE 43 + HG LEU 26 OK 57 89 - 64 - 10883/2.1=39, ~10881=15...(9) HZ PHE 43 - HG LEU 97 poor 7 54 - 13 - 10883/265=6, ~4744=4 Peak 10600 from cnoeabs.peaks (0.30, 6.28, 131.30 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.69: QD2 LEU 42 + QE PHE 38 OK 69 83 - 83 - 4741/2.2=37, 5.1/8166=33...(12) Peak 10601 from cnoeabs.peaks (1.05, 6.71, 128.07 ppm; 5.84 A): 4 out of 4 assignments used, quality = 0.93: QG2 VAL 53 + HZ PHE 43 OK 88 97 - 91 - 2.1/10634=45...(11) HB2 LEU 116 + HZ PHE 43 OK 20 59 - 34 - 3.2/10687=23...(6) HG13 ILE 91 + HZ PHE 43 OK 16 97 - 17 - 8111/8125=5...(5) HG3 LYS 114 + HZ PHE 43 OK 16 98 - 17 - 8111/8125=4...(6) Peak 10602 from cnoeabs.peaks (0.66, 6.71, 128.07 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.95: QD2 LEU 39 + HZ PHE 43 OK 77 96 - 80 - 2.1/8125=36, ~4755=26...(11) QD2 LEU 66 + HZ PHE 43 OK 54 95 - 57 - 2.1/4821=18, ~4820=11...(12) HB3 LEU 116 + HZ PHE 43 OK 35 59 - 59 - 3.2/10687=29, ~4743=24...(7) QD1 ILE 83 + HZ PHE 43 OK 20 78 - 25 - 10571/10962=7...(8) Peak 10603 from cnoeabs.peaks (7.82, 0.60, 11.24 ppm; 5.34 A): 4 out of 5 assignments used, quality = 0.95: H LEU 26 + QD1 ILE 56 OK 81 96 - 84 - 10868=34, 5.0/10595=32...(11) H TYR 27 + QD1 ILE 56 OK 52 100 - 52 - 3.9/10868=24...(9) H THR 110 + QD1 ILE 56 OK 33 100 - 33 - 3.6/9272=9, 10239/2.1=8...(6) H SER 44 + QD1 ILE 56 OK 16 98 - 17 - 2.9/11203=5, ~11204=2...(5) H GLY 94 - QD1 ILE 56 lone 8 89 - 9 - ~9034=1 Peak 10604 from cnoeabs.peaks (8.00, 0.86, 17.79 ppm; 4.18 A): 3 out of 6 assignments used, quality = 0.49: H ALA 104 + QG2 ILE 56 OK 24 100 - 24 - 3.6/11204=5, ~9200=5...(5) H VAL 73 + QG2 ILE 56 OK 21 99 - 21 - ~8601=6, 6754/3.2=3...(6) H ARG 140 + QG2 ILE 56 OK 15 94 - 16 - 4.6/9729=3, 4.9/11016=2...(6) H GLN 47 - QG2 ILE 56 lone 6 85 - 7 - H ARG 145 - QG2 ILE 56 lone 4 94 - 4 - H THR 51 - QG2 ILE 56 lone 1 72 - 1 - Peak 10605 from cnoeabs.peaks (6.94, 0.86, 17.79 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.61: * QD PHE 23 + QG2 ILE 56 OK 53 100 - 53 - 10430=28, 11193/3.1=11...(7) HD21 ASN 139 + QG2 ILE 56 OK 16 81 - 20 - 9733=8, 3.5/9729=5...(4) QD TYR 112 - QG2 ILE 56 lone 9 92 - 9 - 8491/1458=2, 4710/1838=2...(4) Peak 10606 from cnoeabs.peaks (6.71, 0.86, 17.79 ppm; 6.48 A): 2 out of 3 assignments used, quality = 0.71: QE TYR 70 + QG2 ILE 56 OK 61 100 - 61 - ~4693=32, 9898/3.1=26...(6) HZ PHE 43 + QG2 ILE 56 OK 27 94 - 28 - 8260/3.1=13, ~11222=8...(6) QE TYR 27 - QG2 ILE 56 lone 5 68 - 7 - 2.2/10431=4 Peak 10607 from cnoeabs.peaks (6.59, 0.86, 17.79 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10608 from cnoeabs.peaks (4.03, 0.86, 17.79 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.50: HA VAL 63 + QG2 ILE 56 OK 30 94 - 32 - 11202/3.1=8, 10429=6...(8) HA GLN 25 + QG2 ILE 56 OK 28 85 - 33 - 11202/3.1=17, ~8254=8...(4) HA GLU 37 - QG2 ILE 56 lone 4 77 - 5 - 3.8/9186=1 HA GLU 81 - QG2 ILE 56 lone 3 81 - 4 - 11202/3.1=1 HA LYS 123 - QG2 ILE 56 lone 3 68 - 4 - Peak 10609 from cnoeabs.peaks (7.84, 1.54, 26.43 ppm; 4.44 A): 2 out of 10 assignments used, quality = 1.00: * H ARG 55 + HG3 ARG 55 OK 96 100 - 96 - 5.1=66, 3.0/1422=20...(21) H ARG 55 + HG2 ARG 55 OK 96 99 - 96 - 5.1=66, 3.0/1422=20...(21) H ALA 135 - HG3 ARG 55 lone 3 77 - 4 - 9631/2392=2 H ALA 135 - HG2 ARG 55 lone 3 75 - 4 - 9631/2392=2 H LEU 26 - HG3 ARG 55 lone 2 72 - 2 - H LEU 26 - HG2 ARG 55 lone 2 71 - 2 - H TRP 17 - HG3 ARG 55 lone 2 100 - 2 - H TRP 17 - HG2 ARG 55 lone 2 99 - 2 - H TYR 119 - HG3 ARG 55 lone 0 62 - 1 - H TYR 119 - HG2 ARG 55 lone 0 61 - 1 - Peak 10610 from cnoeabs.peaks (8.66, 1.54, 26.43 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.81: H ILE 56 + HG3 ARG 55 OK 57 100 - 57 - 1414/3.0=31, 3.6/1422=16...(5) H ILE 56 + HG2 ARG 55 OK 56 99 - 57 - 1414/3.0=31, 3.6/1422=16...(5) H THR 92 - HG3 ARG 55 lone 3 68 - 4 - 1414/3.0=2, 10613/5.1=1 H THR 92 - HG2 ARG 55 lone 3 66 - 4 - 1414/3.0=2, 10613/5.1=1 Peak 10611 from cnoeabs.peaks (8.89, 1.54, 26.43 ppm; 5.65 A): 0 out of 4 assignments used, low quality = 0.43: H ASN 84 - HG3 ARG 55 OK 25 100 - 25 - 8856/1.8=6, 8856=5...(5) H ASN 84 - HG2 ARG 55 OK 25 99 - 25 - 8856/1.8=6, 8856=5...(5) H LYS 34 - HG3 ARG 55 lone 3 92 - 3 - H LYS 34 - HG2 ARG 55 lone 3 90 - 3 - Peak 10622 from cnoeabs.peaks (4.82, 2.75, 39.70 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 3.0=100 HA ASN 54 - HB3 ASP 40 OK 30 70 - 43 - 10623/1.8=7, 4.3/11656=5...(24) HA TRP 17 - HB2 ASN 54 lone 3 68 - 4 - 3.0/11663=1 HA TRP 17 - HB3 ASP 40 lone 1 40 - 1 - Peak 10623 from cnoeabs.peaks (4.82, 2.83, 39.70 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 3.0=100 HA ASN 54 - HB2 ASP 40 OK 26 70 - 38 - 10622/1.8=8, 3.0/10444=5...(21) HA TRP 17 - HB3 ASN 54 lone 3 68 - 4 - HA TRP 17 - HB2 ASP 40 lone 0 40 - 1 - Peak 10624 from cnoeabs.peaks (7.55, 2.75, 39.70 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 3.5=100 HD21 ASN 54 - HB3 ASP 40 OK 45 70 - 64 - 11657=14, 1.7/11656=12...(25) H LYS 86 - HB2 ASN 54 OK 16 100 - 16 - 4.0/10447=4, 3.6/8862=3...(5) H LYS 86 - HB3 ASP 40 OK 12 70 - 17 - 6969/3.3=4, 10049/3.0=3...(5) Peak 10625 from cnoeabs.peaks (7.55, 2.83, 39.70 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 3.5=100 HD21 ASN 54 - HB2 ASP 40 OK 41 70 - 59 - 11657/1.8=14...(22) H LYS 86 - HB3 ASN 54 OK 10 100 - 10 - 10624/1.8=4, ~2670=3 H LYS 86 - HB2 ASP 40 poor 10 70 - 14 - 6969/3.3=4, 10049/3.0=4...(4) Peak 10626 from cnoeabs.peaks (8.00, 4.08, 62.40 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.88: H VAL 73 + HA VAL 53 OK 69 100 - 69 - 4.0/8571=28, ~8240=19...(11) H GLN 47 + HA VAL 53 OK 57 96 - 59 - 2.9/9839=24, 8184/3.2=19...(12) H ARG 140 + HA VAL 53 OK 13 100 - 13 - 4.0/9846=3, 2167/8571=2...(5) H ALA 104 - HA VAL 53 lone 9 100 - 9 - 2167/8571=2 H ARG 145 - HA VAL 53 lone 4 81 - 5 - 10684/10694=1 Peak 10627 from cnoeabs.peaks (7.33, 2.10, 30.41 ppm; 5.29 A): 0 out of 2 assignments used, low quality = 0.30: H ARG 109 - HB VAL 53 OK 18 85 - 21 - 10631/2.1=11, ~10176=3...(4) H GLU 81 - HB VAL 53 OK 15 99 - 15 - 10631/2.1=6, 4.4/1389=2...(5) Peak 10628 from cnoeabs.peaks (6.98, 2.10, 30.41 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.70: QE PHE 43 + HB VAL 53 OK 58 72 - 81 - ~10633=30, ~10634=29...(10) HZ PHE 67 + HB VAL 53 OK 27 62 - 43 - ~9836=33, 11220/2.1=6...(5) HD2 HIS 10 - HB VAL 53 lone 9 98 - 9 - 8238/2.1=4, 8097/10581=3 HH2 TRP 17 - HB VAL 53 lone 2 72 - 2 - Peak 10629 from cnoeabs.peaks (7.36, 4.08, 62.40 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.65: QD PHE 43 + HA VAL 53 OK 65 72 - 90 - 10633/3.2=38, ~10628=24...(11) H GLY 77 - HA VAL 53 lone 10 100 - 10 - 10633/3.2=2, 8674/4503=2 H ASP 41 - HA VAL 53 lone 3 62 - 5 - 4.4/8243=1 Peak 10630 from cnoeabs.peaks (6.99, 4.08, 62.40 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.99: QE PHE 43 + HA VAL 53 OK 95 100 - 96 - ~10634=40, ~10633=38...(11) HZ PHE 67 + HA VAL 53 OK 64 98 - 66 - ~9836=43, 10632/3.2=16...(6) HD22 ASN 130 + HA VAL 53 OK 53 94 - 56 - 10387/3.0=14, ~10386=12...(10) HD22 ASN 128 - HA VAL 53 OK 20 94 - 21 - ~10356=5, ~10358=4...(8) HD2 HIS 10 - HA VAL 53 poor 8 62 - 13 - 8238/3.2=4, 10628/3.0=3 HH2 TRP 17 - HA VAL 53 lone 7 100 - 7 - 10632/3.2=2, 9809/3.2=1 HZ PHE 45 - HA VAL 53 lone 3 62 - 5 - Peak 10631 from cnoeabs.peaks (7.34, 0.91, 22.18 ppm; 3.75 A): 3 out of 3 assignments used, quality = 0.66: * QD PHE 43 + QG1 VAL 53 OK 52 85 - 62 - 3.8/10634=20...(11) H ARG 109 + QG1 VAL 53 OK 19 99 - 20 - 10627/2.1=9, 3.6/3466=2...(5) H GLU 81 + QG1 VAL 53 OK 11 85 - 13 - 10627/2.1=7, 6875=2 Peak 10632 from cnoeabs.peaks (7.00, 0.91, 22.18 ppm; 3.55 A): 3 out of 6 assignments used, quality = 0.89: * QE PHE 43 + QG1 VAL 53 OK 72 100 - 73 - 2.2/10634=25...(11) HZ PHE 67 + QG1 VAL 53 OK 53 100 - 53 - 2.2/9836=30, 3.8/9838=10...(9) HD22 ASN 130 + QG1 VAL 53 OK 17 100 - 16 - 10387/4.0=5, 9809/2.1=4...(6) HH2 TRP 17 - QG1 VAL 53 lone 6 100 - 6 - 5600/9836=2, 5597/9838=1 HD22 ASN 128 - QG1 VAL 53 lone 5 100 - 5 - 9809/2.1=1 HZ PHE 45 - QG1 VAL 53 lone 1 89 - 1 - Peak 10633 from cnoeabs.peaks (7.36, 1.05, 21.00 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.52: QD PHE 43 + QG2 VAL 53 OK 52 96 - 54 - 2.2/9809=15, 3.8/4756=9...(11) H ARG 109 - QG2 VAL 53 lone 5 77 - 6 - 10631/2.1=2 H GLY 77 - QG2 VAL 53 lone 3 99 - 3 - 8675/10657=1 Peak 10634 from cnoeabs.peaks (6.72, 0.91, 22.18 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.64: HZ PHE 43 + QG1 VAL 53 OK 64 99 - 65 - 2.2/10632=19...(9) QE TYR 70 - QG1 VAL 53 lone 3 72 - 4 - 4.7/11305=3 Peak 10635 from cnoeabs.peaks (6.62, 0.91, 22.18 ppm; 4.29 A): 0 out of 1 assignment used, low quality = 0.38: QE PHE 23 - QG1 VAL 53 OK 38 94 - 41 - 2.2/8238=29...(3) Peak 10636 from cnoeabs.peaks (6.67, 1.05, 21.00 ppm; 4.61 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10637 from cnoeabs.peaks (6.60, 1.05, 21.00 ppm; 4.69 A): 0 out of 1 assignment used, low quality = 0.35: QE PHE 23 - QG2 VAL 53 OK 35 89 - 39 - ~8238=23, 10635/2.1=13, ~4798=8 Peak 10638 from cnoeabs.peaks (1.49, 1.03, 21.21 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.57: HD3 LYS 114 + QG2 THR 110 OK 57 100 - 57 - 1.8/9290=16, 3.0/9287=12...(15) HB3 LEU 29 - QG2 THR 110 poor 10 98 - 10 - 1.8/10451=4, 3794/9290=1 HG13 ILE 101 - QG2 THR 110 lone 5 100 - 5 - ~9286=1 QB ALA 134 - QG2 THR 110 lone 4 72 - 5 - 4.0/10451=1 HG2 LYS 34 - QG2 THR 110 lone 3 94 - 3 - Peak 10640 from cnoeabs.peaks (2.41, 3.26, 50.40 ppm; 6.12 A): 5 out of 5 assignments used, quality = 0.86: HB3 PRO 118 + HD2 PRO 52 OK 56 81 - 68 - 10455/1.8=11...(26) QE MET 46 + HD2 PRO 52 OK 41 85 - 48 - 10487/4.8=20...(6) HG3 GLN 25 + HD2 PRO 52 OK 28 96 - 29 - 8229/4.6=8, 8223/4.8=8...(4) HG3 GLN 133 + HD2 PRO 52 OK 16 72 - 22 - 8229/4.6=4, 8223/4.8=3...(9) HG2 GLN 133 + HD2 PRO 52 OK 11 68 - 16 - 1.8/10315=3, ~10455=2...(7) Peak 10641 from cnoeabs.peaks (2.40, 4.10, 62.73 ppm; 5.46 A): 4 out of 10 assignments used, quality = 0.56: HG3 GLN 25 + HA PRO 52 OK 22 100 - 21 - 9811/3.6=9, 10640/3.6=5...(6) HB ILE 91 + HA PRO 52 OK 21 68 - 31 - ~8986=11, ~8986=9...(6) HG2 MET 46 + HA PRO 52 OK 20 72 - 28 - 3.0/10928=13, 9811/3.6=7...(4) HG3 MET 59 + HA THR 99 OK 11 49 - 22 - ~9153=6, ~10405=6...(4) HG3 MET 59 - HA PRO 52 poor 10 68 - 15 - 10455/3.6=4, 10453/3.6=4 HB ILE 91 - HA THR 99 poor 5 49 - 11 - ~10124=5, 4.7/1348=3 HG2 GLN 25 - HA PRO 52 lone 3 68 - 5 - HG3 GLN 25 - HA THR 99 lone 2 82 - 3 - HG2 GLN 25 - HA THR 99 lone 2 49 - 4 - 9024/10120=2 HG2 MET 46 - HA THR 99 lone 1 53 - 3 - Peak 10642 from cnoeabs.peaks (3.81, 2.05, 32.05 ppm; 4.68 A): 3 out of 4 assignments used, quality = 0.94: HA3 GLY 50 + HB2 PRO 52 OK 73 96 - 76 - ~9831=20, 10655/3.0=17...(12) HA THR 110 + HB2 PRO 52 OK 69 100 - 69 - 10457/2.3=14...(20) HD2 PRO 118 + HB2 PRO 52 OK 32 68 - 47 - ~10640=5, 1.8/1349=4...(24) HA LEU 66 - HB2 PRO 52 lone 5 89 - 5 - 10643/3.0=1, 8231/3.0=1 Peak 10643 from cnoeabs.peaks (3.81, 3.54, 50.40 ppm; 4.49 A): 3 out of 4 assignments used, quality = 0.94: HA3 GLY 50 + HD3 PRO 52 OK 77 89 - 87 - 3.6/8205=33, 1.8/9831=29...(12) HA THR 110 + HD3 PRO 52 OK 66 100 - 66 - 8231/1.8=15...(23) HA GLN 47 + HD3 PRO 52 OK 29 62 - 46 - 10672=13, 10457/3.6=12...(6) HA LEU 66 - HD3 PRO 52 lone 7 77 - 9 - 8213/4.6=4, 8231/1.8=1 Peak 10644 from cnoeabs.peaks (7.66, 3.26, 50.40 ppm; 6.77 A): 1 out of 2 assignments used, quality = 0.97: H GLY 50 + HD2 PRO 52 OK 97 99 - 98 - 8188/1.8=49, 6482/4.8=40...(13) H LEU 97 - HD2 PRO 52 OK 32 94 - 34 - 10645/4.6=11, 6484/4.8=9...(7) Peak 10645 from cnoeabs.peaks (7.66, 0.96, 19.03 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.92: H GLY 50 + QG2 THR 51 OK 88 100 - 88 - 6482/4.0=33, 8188/4.6=21...(13) H LEU 97 + QG2 THR 51 OK 30 99 - 31 - 6484/4.0=7, 7150/2.1=4...(12) HD21 ASN 130 - QG2 THR 51 lone 1 68 - 2 - Peak 10646 from cnoeabs.peaks (7.49, 0.96, 19.03 ppm; 5.52 A): 3 out of 6 assignments used, quality = 0.77: HE ARG 49 + QG2 THR 51 OK 62 89 - 70 - 2.9/8216=31, 5.1/8225=17...(7) H TYR 70 + QG2 THR 51 OK 28 98 - 29 - 4.6/8225=4, 3.6/11513=4...(9) HE22 GLN 25 + QG2 THR 51 OK 13 62 - 21 - 3.5/8229=9, ~8223=6...(4) HD1 TRP 88 - QG2 THR 51 lone 8 100 - 8 - 10669/8216=2, 3.9/8216=2 HE21 GLN 47 - QG2 THR 51 lone 2 100 - 2 - HE22 GLN 62 - QG2 THR 51 lone 2 81 - 3 - Peak 10647 from cnoeabs.peaks (7.39, 0.96, 19.03 ppm; 6.27 A): 2 out of 3 assignments used, quality = 0.94: H ARG 49 + QG2 THR 51 OK 91 100 - 91 - 8208/4.0=31...(15) H LYS 114 + QG2 THR 51 OK 38 100 - 38 - 8208/4.0=12...(10) H ASP 41 - QG2 THR 51 lone 9 92 - 9 - 6292/10462=1, 8208/4.0=1 Peak 10648 from cnoeabs.peaks (7.12, 0.96, 19.03 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.48: QE PHE 45 + QG2 THR 51 OK 48 100 - 48 - 2.2/10649=33, 4.4/8214=9...(5) QD PHE 106 - QG2 THR 51 lone 2 57 - 4 - 5590/10649=2 Peak 10649 from cnoeabs.peaks (7.02, 0.96, 19.03 ppm; 5.35 A): 0 out of 1 assignment used, low quality = 0.41: HZ PHE 45 - QG2 THR 51 OK 41 85 - 48 - 2.2/10648=41, 5.8/8214=8 Peak 10650 from cnoeabs.peaks (6.64, 0.96, 19.03 ppm; 4.70 A): 0 out of 2 assignments used, low quality = 0.00: HE22 GLN 111 - QG2 THR 51 lone 7 89 - 8 - 4.6/8228=4, 10898/616=1 HD21 ASN 84 - QG2 THR 51 lone 5 92 - 5 - 3.5/11513=3 Peak 10651 from cnoeabs.peaks (4.26, 0.96, 19.03 ppm; 3.96 A): 2 out of 8 assignments used, quality = 0.85: HA2 GLY 50 + QG2 THR 51 OK 66 100 - 66 - 3.6/1317=25...(8) HA ARG 49 + QG2 THR 51 OK 56 85 - 66 - 3.0/8225=15...(10) HA LEU 95 - QG2 THR 51 poor 9 89 - 10 - 10652/2.1=2, ~10113=1 HA ALA 135 - QG2 THR 51 lone 8 100 - 8 - 10445/10650=3 HB THR 99 - QG2 THR 51 lone 7 100 - 7 - 10162/8224=2, 10162/8224=1 HA SER 138 - QG2 THR 51 lone 6 100 - 6 - 10652/2.1=1 HA GLU 142 - QG2 THR 51 lone 6 68 - 8 - 10510/4.0=4, 10652/2.1=1 HA ARG 140 - QG2 THR 51 lone 5 68 - 8 - 3.0/10461=1, 3.8/8227=1 Peak 10652 from cnoeabs.peaks (4.26, 4.36, 69.71 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.76: HA2 GLY 50 + HB THR 51 OK 55 100 - 55 - 9831/4.8=16...(6) HA ARG 49 + HB THR 51 OK 48 85 - 56 - 10463/2.1=16, ~8225=10...(10) HA LEU 95 - HB THR 51 lone 8 89 - 9 - 3.0/10113=3, 10463/2.1=3 HA GLU 142 - HB THR 51 lone 5 68 - 8 - 10510/4.0=4, 10651/2.1=1 HA SER 138 - HB THR 51 lone 5 100 - 5 - 10463/2.1=2 HB THR 99 - HB THR 51 lone 4 100 - 4 - 10463/2.1=2 HA ALA 135 - HB THR 51 lone 4 100 - 4 - 10463/2.1=2 HA ARG 140 - HB THR 51 lone 3 68 - 5 - 10651/2.1=1 Peak 10654 from cnoeabs.peaks (5.41, 4.26, 44.44 ppm; 5.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10655 from cnoeabs.peaks (3.54, 3.82, 44.44 ppm; 6.45 A): 1 out of 1 assignment used, quality = 0.97: HD3 PRO 52 + HA3 GLY 50 OK 97 100 - 97 - 8205/3.6=49, 8188/2.9=45...(12) Peak 10656 from cnoeabs.peaks (0.96, 3.82, 44.44 ppm; 5.76 A): 3 out of 3 assignments used, quality = 0.95: QG2 THR 51 + HA3 GLY 50 OK 86 100 - 87 - 1317/3.6=39...(10) QD1 LEU 29 + HA3 GLY 50 OK 47 98 - 48 - 8070/2.9=22, 6489/3.6=11...(9) HG3 ARG 35 + HA3 GLY 50 OK 30 99 - 30 - 8192/2.9=7, 6489/3.6=7...(8) Peak 10657 from cnoeabs.peaks (0.97, 4.26, 44.44 ppm; 5.60 A): 4 out of 4 assignments used, quality = 0.92: QG2 THR 51 + HA2 GLY 50 OK 78 92 - 84 - 1317/3.6=33, 4.6/9831=29...(11) QD1 LEU 29 + HA2 GLY 50 OK 41 96 - 43 - 8070/2.9=21, 6489/3.6=10...(7) HG3 ARG 35 + HA2 GLY 50 OK 29 94 - 31 - 8192/2.9=9, 6489/3.6=6...(8) HB2 LEU 39 + HA2 GLY 50 OK 10 72 - 14 - ~6476=4, 8192/2.9=4...(4) Peak 10658 from cnoeabs.peaks (0.97, 4.27, 55.41 ppm; 5.81 A): 4 out of 4 assignments used, quality = 0.96: QG2 THR 51 + HA ARG 49 OK 76 89 - 85 - 10645/3.6=25...(11) HG3 ARG 35 + HA ARG 49 OK 52 92 - 57 - 10467/3.0=15...(11) QD1 LEU 29 + HA ARG 49 OK 43 94 - 46 - 8070/3.6=19, 10670/2.9=6...(11) HB2 LEU 39 + HA ARG 49 OK 36 77 - 46 - 10661/5.2=7, 10660/3.0=6...(14) Peak 10659 from cnoeabs.peaks (0.95, 1.74, 30.11 ppm; 5.99 A): 2 out of 3 assignments used, quality = 0.97: QG2 THR 51 + HB2 ARG 49 OK 91 99 - 92 - 8216/3.7=30, 4.0/8220=27...(14) HG3 ARG 35 + HB2 ARG 49 OK 69 98 - 71 - 10468/1.8=25...(18) QD1 LEU 29 - HB2 ARG 49 OK 38 96 - 40 - 8070/4.7=18, 8070/1255=5...(8) Peak 10660 from cnoeabs.peaks (0.97, 1.34, 30.11 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.99: QG2 THR 51 + HB3 ARG 49 OK 81 89 - 91 - 8216/3.7=28...(15) HG3 ARG 35 + HB3 ARG 49 OK 71 92 - 77 - 10467/1.8=18...(17) HB2 LEU 39 + HB3 ARG 49 OK 54 77 - 70 - 10661/3.7=10...(25) QD1 LEU 29 + HB3 ARG 49 OK 52 94 - 55 - 8070/4.7=20, 10658/3.0=9...(12) Peak 10661 from cnoeabs.peaks (0.97, 3.08, 44.17 ppm; 4.60 A): 4 out of 4 assignments used, quality = 0.90: QG2 THR 51 + HD3 ARG 49 OK 61 89 - 68 - 8216=29, 8225/3.7=14...(11) HG3 ARG 35 + HD3 ARG 49 OK 50 92 - 54 - 10467/3.7=9, 2.9/1296=5...(20) HB2 LEU 39 + HD3 ARG 49 OK 37 77 - 48 - 1.8/1295=7, 3.0/10975=7...(18) QD1 LEU 29 + HD3 ARG 49 OK 22 94 - 23 - 2.1/10983=5, 10658/5.2=3...(6) Peak 10662 from cnoeabs.peaks (8.52, 1.74, 30.11 ppm; 5.97 A): 3 out of 3 assignments used, quality = 0.62: H GLN 111 + HB2 ARG 49 OK 31 94 - 33 - 9805/4.7=18...(4) H LEU 108 + HB2 ARG 49 OK 28 81 - 34 - 10663/1.8=9, ~3494=5...(9) H LYS 48 + HB2 ARG 49 OK 23 68 - 34 - 6453/3.7=18, 4.6/8201=3...(8) Peak 10663 from cnoeabs.peaks (8.53, 1.34, 30.11 ppm; 6.42 A): 3 out of 3 assignments used, quality = 0.78: H MET 46 + HB3 ARG 49 OK 51 72 - 70 - 2.9/8196=18, 9805/4.7=14...(12) H GLN 111 + HB3 ARG 49 OK 39 99 - 40 - 9805/4.7=21...(4) H LEU 108 + HB3 ARG 49 OK 27 68 - 40 - 10662/1.8=16, ~3494=6...(9) Peak 10664 from cnoeabs.peaks (7.39, 2.07, 44.17 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.97: H ARG 49 + HD2 ARG 49 OK 93 100 - 93 - 6.4=45, 1274/3.0=22...(18) H LYS 114 + HD2 ARG 49 OK 55 100 - 55 - 1265/3.0=12, 1256/3.7=11...(9) H ASP 41 - HD2 ARG 49 OK 16 92 - 17 - 1265/3.0=4, 1274/3.0=3...(6) Peak 10665 from cnoeabs.peaks (7.00, 2.07, 44.17 ppm; 5.14 A): 2 out of 6 assignments used, quality = 0.72: HZ PHE 45 + HD2 ARG 49 OK 69 92 - 75 - 2.2/9804=41, ~9828=27...(6) QE PHE 43 + HD2 ARG 49 OK 11 99 - 11 - 9829/1.8=3, 4742=2, 4818/5.2=2 HD22 ASN 128 - HD2 ARG 49 lone 8 100 - 8 - 3.4/9515=2, 3.4/10264=2 HD22 ASN 130 - HD2 ARG 49 lone 5 100 - 5 - 5.5/7617=1 HZ PHE 67 - HD2 ARG 49 lone 4 100 - 4 - HH2 TRP 17 - HD2 ARG 49 lone 3 99 - 3 - 5588/9827=2 Peak 10666 from cnoeabs.peaks (7.10, 3.08, 44.17 ppm; 4.83 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10667 from cnoeabs.peaks (7.20, 3.08, 44.17 ppm; 5.52 A): 4 out of 5 assignments used, quality = 0.76: H LYS 36 + HD3 ARG 49 OK 40 68 - 60 - ~8195=23, 9826/1.8=21...(11) HE3 TRP 88 + HD3 ARG 49 OK 38 100 - 38 - 5.3/8917=14, 5.1/10669=7...(7) QD TYR 27 + HD3 ARG 49 OK 27 100 - 27 - 9826/1.8=9, ~11182=7...(5) H GLU 37 + HD3 ARG 49 OK 12 72 - 16 - 10682/8194=3, 6215/1.8=2...(4) HE3 TRP 17 - HD3 ARG 49 lone 4 62 - 7 - 4770=2, 4586/9828=1 Peak 10668 from cnoeabs.peaks (7.37, 3.08, 44.17 ppm; 5.21 A): 4 out of 4 assignments used, quality = 0.78: H ARG 49 + HD3 ARG 49 OK 62 68 - 91 - 6.4=55, 2.9/1245=15...(18) H LYS 114 + HD3 ARG 49 OK 28 77 - 36 - 10664/1.8=6, 1256/3.7=5...(9) H GLY 77 + HD3 ARG 49 OK 12 77 - 16 - 4.5/6839=9, 8677/3.7=2 H ASP 41 + HD3 ARG 49 OK 10 96 - 10 - 10664/1.8=2, 1265/3.0=2...(5) Peak 10669 from cnoeabs.peaks (7.49, 3.08, 44.17 ppm; 4.84 A): 1 out of 5 assignments used, quality = 1.00: HE ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 2.9=100 HD1 TRP 88 - HD3 ARG 49 OK 42 89 - 48 - 2.6/8917=19, 9803/1.8=7...(10) H TYR 70 - HD3 ARG 49 OK 20 100 - 20 - 9803/1.8=4, 6705/3.0=3...(9) HE22 GLN 25 - HD3 ARG 49 OK 12 92 - 13 - 4.4/11512=5, 9803/1.8=2...(4) HE21 GLN 47 - HD3 ARG 49 lone 3 96 - 3 - Peak 10671 from cnoeabs.peaks (4.21, 1.60, 25.35 ppm; 5.09 A): 3 out of 12 assignments used, quality = 0.96: HA LYS 93 + HG3 LYS 48 OK 83 99 - 84 - 3016/3.0=9, 4.9/1189=8...(37) HA LYS 85 + HG3 LYS 48 OK 51 85 - 60 - 1148/2.9=7, 1160/2.9=6...(27) HA PHE 45 + HG3 LYS 48 OK 48 99 - 49 - 1019/4.9=20, 1020/2.9=10...(9) HA ILE 101 - HG3 LYS 48 OK 27 100 - 27 - 1019/4.9=5, 1020/2.9=4...(7) HA PHE 45 - HG3 LYS 36 OK 26 70 - 37 - 3.1/704=10, 1020/3.0=6...(10) HA LYS 93 - HG3 LYS 36 OK 23 70 - 33 - 3015/1.8=4, ~3027=4...(11) HA ALA 134 - HG3 LYS 48 OK 19 99 - 19 - ~10321=5, ~9637=4...(6) HA LYS 85 - HG3 LYS 36 OK 15 56 - 27 - ~685=2, 2572/3.0=2...(13) HA THR 102 - HG3 LYS 48 OK 12 100 - 12 - 6431/4.9=1, ~8186=1 HA ALA 134 - HG3 LYS 36 lone 4 70 - 6 - ~10321=1 HA ILE 101 - HG3 LYS 36 lone 4 73 - 5 - HA THR 102 - HG3 LYS 36 lone 2 73 - 2 - Peak 10672 from cnoeabs.peaks (3.54, 3.80, 59.57 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.78: HD3 PRO 52 + HA GLN 47 OK 78 96 - 81 - 10454=45, 1.8/10673=33...(8) Peak 10673 from cnoeabs.peaks (3.25, 3.80, 59.57 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.79: HD2 PRO 52 + HA GLN 47 OK 72 100 - 72 - 1.8/10454=42...(10) HD2 ARG 89 + HA GLN 47 OK 15 98 - 16 - 3.5/10675=4...(6) HB2 TYR 112 + HA GLN 47 OK 11 100 - 11 - 1338/10454=4...(5) Peak 10674 from cnoeabs.peaks (2.05, 3.80, 59.57 ppm; 3.85 A): 3 out of 5 assignments used, quality = 0.96: HG3 PRO 98 + HA GLN 47 OK 68 98 - 70 - 2.3/1093=12, ~10678=8...(24) HG2 PRO 98 + HA GLN 47 OK 65 94 - 68 - 2.3/1093=12, 3275/2.9=7...(24) HB2 PRO 52 + HA GLN 47 OK 63 100 - 63 - 3.0/10454=23...(9) HB2 PRO 33 - HA GLN 47 OK 19 72 - 27 - 3.0/8174=6, ~10981=3...(14) HA ARG 35 - HA GLN 47 lone 3 98 - 3 - Peak 10675 from cnoeabs.peaks (1.90, 3.80, 59.57 ppm; 3.84 A): 0 out of 12 assignments used, low quality = 0.32: HB3 ARG 140 - HA GLN 47 OK 18 77 - 23 - 10474/2.9=3, 4.0/1090=3...(9) HB ILE 101 - HA GLN 47 OK 17 100 - 17 - ~10182=7, 10474/2.9=3...(6) HB3 LEU 69 - HA GLN 47 lone 9 100 - 9 - ~9884=3, 10474/2.9=1...(4) HB3 ARG 89 - HA GLN 47 lone 8 99 - 8 - 3.5/10471=4, 2872/10673=1 QE MET 68 - HA GLN 47 lone 7 100 - 7 - 1995/3.6=1, 1995/3.6=1 HB ILE 136 - HA GLN 47 lone 5 92 - 6 - ~10457=1 HB3 LYS 93 - HA GLN 47 lone 3 72 - 4 - HB3 GLN 111 - HA GLN 47 lone 2 96 - 2 - HB2 LYS 24 - HA GLN 47 lone 2 99 - 2 - HB2 MET 59 - HA GLN 47 lone 1 62 - 2 - ~6402=1 HB2 LYS 86 - HA GLN 47 lone 1 77 - 1 - HG13 ILE 83 - HA GLN 47 lone 1 85 - 1 - Peak 10678 from cnoeabs.peaks (2.04, 2.36, 28.08 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.92: HG2 PRO 98 + HB2 GLN 47 OK 83 89 - 93 - 1.8/10475=17...(35) HB2 PRO 33 + HB2 GLN 47 OK 56 100 - 56 - 3.0/10981=7, ~8174=5...(27) HB3 LYS 34 - HB2 GLN 47 lone 10 98 - 10 - ~10427=1, 435/10981=1 HB2 GLU 90 - HB2 GLN 47 lone 2 85 - 3 - Peak 10680 from cnoeabs.peaks (4.09, 2.42, 33.10 ppm; 4.31 A): 4 out of 20 assignments used, quality = 0.96: HD3 PRO 33 + HG3 GLN 47 OK 55 100 - 55 - 8174/3.6=6, 436=5...(27) HD3 PRO 33 + HG2 GLN 47 OK 55 100 - 55 - 8174/3.6=6, 436=5...(27) HA PRO 52 + HG2 GLN 47 OK 54 99 - 55 - 10459/3.0=26...(7) HA PRO 52 + HG3 GLN 47 OK 54 99 - 55 - 10459/3.0=26...(7) HA VAL 53 - HG2 GLN 133 OK 16 59 - 27 - 3.2/8185=5, ~9847=3...(11) HA VAL 53 - HG3 GLN 133 OK 13 56 - 24 - 3.2/8185=4, ~8185=3...(9) HA VAL 53 - HG2 GLN 47 OK 13 68 - 19 - 9839/3.6=7, 10981/3.0=2...(4) HA VAL 53 - HG3 GLN 47 OK 13 68 - 19 - 9839/3.6=7, 10981/3.0=2...(4) HD3 PRO 33 - HG2 GLN 133 OK 12 95 - 12 - 436=1 HD3 PRO 33 - HG3 GLN 133 OK 11 91 - 12 - 436/1.8=1 HA PRO 52 - HG2 GLN 133 OK 10 92 - 11 - 10456/1.8=2...(5) HA PRO 52 - HG3 GLN 133 OK 10 88 - 11 - 3.6/10315=2...(5) HA THR 99 - HG3 GLN 47 poor 10 89 - 11 - 8174/3.6=3, ~7163=2...(6) HA THR 99 - HG2 GLN 47 poor 10 89 - 11 - 8174/3.6=3, ~7163=2...(6) HB THR 110 - HG2 GLN 47 lone 4 72 - 6 - 8174/3.6=2, ~1111=1 HB THR 110 - HG3 GLN 47 lone 4 72 - 6 - 8174/3.6=2, ~1111=1 HA THR 99 - HG2 GLN 133 lone 3 80 - 4 - 10161/4.0=2 HA THR 99 - HG3 GLN 133 lone 3 76 - 4 - 10161/4.0=2 HB THR 110 - HG2 GLN 133 lone 1 64 - 1 - HB THR 110 - HG3 GLN 133 lone 1 60 - 1 - Peak 10681 from cnoeabs.peaks (7.38, 3.90, 57.09 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.74: H ARG 49 + HA MET 46 OK 58 100 - 59 - 4.6/6433=16...(12) H LYS 114 + HA MET 46 OK 36 100 - 36 - 4.7/1042=5, 7398/3.0=5...(13) H ASP 41 - HA MET 46 lone 7 94 - 7 - ~6377=2 Peak 10682 from cnoeabs.peaks (7.20, 3.90, 57.09 ppm; 5.19 A): 0 out of 4 assignments used, low quality = 0.41: H GLU 37 - HA MET 46 OK 27 81 - 33 - 8172/4.1=12, 8105/3.0=5...(8) HE3 TRP 88 - HA MET 46 OK 19 99 - 20 - 8172/4.1=7, 11062/4.1=4...(6) QD TYR 27 - HA MET 46 lone 8 100 - 8 - 8172/4.1=3, 9826/8193=1 HE3 TRP 17 - HA MET 46 lone 2 72 - 3 - 8172/4.1=1 Peak 10683 from cnoeabs.peaks (6.99, 2.42, 18.74 ppm; 4.93 A): 4 out of 6 assignments used, quality = 0.57: HD22 ASN 130 + QE MET 46 OK 24 81 - 29 - 3.4/10481=12...(7) QE PHE 43 + QE MET 46 OK 21 94 - 22 - 4.8/10486=8...(6) HD22 ASN 128 + QE MET 46 OK 17 81 - 21 - 3.4/10697=15 HZ PHE 67 + QE MET 46 OK 14 89 - 16 - 5.8/10482=3, 7.8/8170=2...(5) HD2 HIS 10 - QE MET 46 lone 7 81 - 8 - 10305/7464=2...(4) HH2 TRP 17 - QE MET 46 lone 5 94 - 5 - 9429/10693=1 Peak 10684 from cnoeabs.peaks (8.01, 2.42, 18.74 ppm; 4.46 A): 4 out of 5 assignments used, quality = 0.74: H THR 51 + QE MET 46 OK 43 94 - 45 - 4.0/10487=18, 8217=16...(6) H VAL 73 + QE MET 46 OK 32 85 - 38 - 4.0/10689=13...(13) H ARG 145 + QE MET 46 OK 20 100 - 20 - 3.6/10487=4, ~10523=3...(8) H ARG 140 + QE MET 46 OK 16 72 - 23 - 4.6/10697=6, 4.9/10490=2...(6) H ALA 104 - QE MET 46 lone 8 92 - 9 - Peak 10685 from cnoeabs.peaks (8.13, 2.42, 18.74 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.84: H TYR 115 + QE MET 46 OK 65 92 - 71 - 3.0/10488=30...(12) H HIS 14 + QE MET 46 OK 48 85 - 56 - 3.0/10696=45...(8) H LEU 87 + QE MET 46 OK 12 81 - 14 - 3831/10488=3...(6) H SER 138 - QE MET 46 lone 4 62 - 6 - Peak 10686 from cnoeabs.peaks (8.39, 2.42, 18.74 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.81: H LEU 116 + QE MET 46 OK 49 68 - 72 - 3.6/10488=30...(10) H TYR 117 + QE MET 46 OK 41 94 - 44 - 9390/10696=14...(11) H GLY 31 + QE MET 46 OK 37 94 - 39 - 3.6/10695=30, 4.7/8170=10 H SER 103 - QE MET 46 lone 5 98 - 5 - 4.6/10684=2 Peak 10687 from cnoeabs.peaks (8.69, 2.42, 18.74 ppm; 5.03 A): 3 out of 3 assignments used, quality = 0.82: H VAL 53 + QE MET 46 OK 59 100 - 59 - 4.1/10492=22...(10) H THR 92 + QE MET 46 OK 36 77 - 46 - 4.3/10700=23...(9) H ASN 130 + QE MET 46 OK 32 99 - 33 - 4.0/10481=11...(7) Peak 10688 from cnoeabs.peaks (2.70, 3.22, 34.70 ppm; 5.67 A): 4 out of 7 assignments used, quality = 0.92: HB3 TYR 115 + HG3 MET 46 OK 71 91 - 78 - ~10488=21, ~10277=18...(14) HB2 PHE 43 + HG3 MET 46 OK 46 77 - 60 - ~972=14, ~971=14...(9) HB3 CYS 121 + HG3 MET 46 OK 43 81 - 53 - 4.1/1074=13...(10) HB3 ASP 13 + HG3 MET 46 OK 14 72 - 19 - 1085/3.3=6, ~10488=5...(6) HB2 ASP 32 - HG3 MET 46 lone 7 98 - 7 - 10806/10619=2, 10806/10619=1 HB2 ASP 137 - HG3 MET 46 lone 7 99 - 7 - 10920/11008=2 HB3 ASP 16 - HG3 MET 46 lone 3 100 - 3 - Peak 10689 from cnoeabs.peaks (2.12, 2.42, 18.74 ppm; 3.47 A): 0 out of 3 assignments used, low quality = 0.34: HB2 GLU 75 - QE MET 46 OK 22 100 - 22 - 3.9/10478=6, 3.0/1084=5...(6) HB VAL 73 - QE MET 46 OK 16 100 - 16 - 4.0/10684=4, 3.0/1087=3...(4) HG2 GLN 111 - QE MET 46 lone 4 81 - 4 - 4.7/1082=1 Peak 10691 from cnoeabs.peaks (2.94, 2.42, 18.74 ppm; 4.38 A): 8 out of 13 assignments used, quality = 0.90: HB2 TYR 115 + QE MET 46 OK 60 81 - 73 - 2.9/10488=29...(11) HB2 HIS 14 + QE MET 46 OK 31 62 - 50 - 3.0/10696=43...(3) HB3 ASN 130 + QE MET 46 OK 30 99 - 30 - 1.8/10481=13...(5) HB3 PHE 67 + QE MET 46 OK 19 77 - 25 - 3.7/8170=6, 3.0/10486=4...(8) HE3 LYS 93 + QE MET 46 OK 11 100 - 11 - 3.8/10491=3, 3.0/10490=2 HE3 LYS 48 + QE MET 46 OK 10 94 - 11 - 3.0/10490=2, 3.6/9822=2 HE2 LYS 61 + QE MET 46 OK 10 98 - 10 - 8149/10701=4...(3) HE3 LYS 61 + QE MET 46 OK 10 98 - 10 - 8149/10701=4...(3) HE2 LYS 93 - QE MET 46 poor 9 85 - 11 - 3.8/10491=3, 3.0/10490=2 HE2 LYS 48 - QE MET 46 poor 9 81 - 11 - 3.0/10490=2, 3.6/9822=2 HE3 LYS 85 - QE MET 46 lone 5 99 - 5 - HE2 LYS 85 - QE MET 46 lone 4 89 - 4 - HB2 PHE 106 - QE MET 46 lone 4 77 - 5 - 1.8/10483=1 Peak 10693 from cnoeabs.peaks (3.09, 2.42, 18.74 ppm; 5.23 A): 2 out of 4 assignments used, quality = 0.59: HA TYR 119 + QE MET 46 OK 47 99 - 48 - 10483=20, 9421/10701=13...(8) HD3 ARG 49 + QE MET 46 OK 22 92 - 24 - 8194/5.2=11, 8216/8229=3...(5) HA2 GLY 78 - QE MET 46 lone 8 96 - 8 - ~8691=1, 11503/5.2=1 HB3 HIS 10 - QE MET 46 lone 3 68 - 4 - 4.0/10683=2 Peak 10694 from cnoeabs.peaks (4.08, 2.42, 18.74 ppm; 4.08 A): 5 out of 6 assignments used, quality = 0.78: HA VAL 53 + QE MET 46 OK 61 100 - 61 - 3.2/10492=20...(15) HA LYS 34 + QE MET 46 OK 17 92 - 18 - 3.6/8170=4, ~10715=3...(6) HD3 PRO 33 + QE MET 46 OK 13 77 - 17 - 2.3/10489=5, ~10715=3 HA LEU 26 + QE MET 46 OK 12 81 - 14 - 10537/10493=1...(3) HA LEU 132 + QE MET 46 OK 11 98 - 12 - 11039/10693=2, 1397/10492=1 HA GLU 90 - QE MET 46 lone 7 98 - 8 - 10075/10702=1 Peak 10695 from cnoeabs.peaks (4.38, 2.42, 18.74 ppm; 3.33 A): 0 out of 3 assignments used, low quality = 0.13: HA ASP 30 - QE MET 46 OK 13 99 - 13 - 3.0/8170=7, 3.6/10686=4 HA ASN 96 - QE MET 46 lone 4 92 - 4 - 3.0/10483=3 HB THR 18 - QE MET 46 lone 1 100 - 1 - Peak 10696 from cnoeabs.peaks (4.53, 2.42, 18.74 ppm; 3.00 A): 0 out of 1 assignment used, low quality = 0.00: HA HIS 14 - QE MET 46 lone 8 77 - 10 - 3.0/10685=5, 3.0/10691=2 Peak 10697 from cnoeabs.peaks (2.80, 2.42, 18.74 ppm; 4.75 A): 0 out of 3 assignments used, low quality = 0.14: HB2 ASN 128 - QE MET 46 OK 14 98 - 15 - 3.4/10683=6, 4.8/1083=2...(5) HB3 ASN 139 - QE MET 46 lone 9 100 - 9 - 4.6/10684=4...(3) HB3 ASP 41 - QE MET 46 lone 8 100 - 8 - 8148/10701=5 Peak 10698 from cnoeabs.peaks (1.41, 2.42, 18.74 ppm; 5.07 A): 3 out of 7 assignments used, quality = 0.93: HG LEU 116 + QE MET 46 OK 63 89 - 71 - 11094=22, 2.1/10492=14...(16) HG12 ILE 91 + QE MET 46 OK 56 68 - 83 - 3.2/10700=29...(25) HD2 LYS 114 + QE MET 46 OK 56 99 - 56 - 3.0/10481=20...(11) HB2 ARG 35 - QE MET 46 OK 24 94 - 26 - 11042/5.2=5, 3.6/8170=5...(7) HG2 LYS 36 - QE MET 46 OK 23 100 - 23 - 3.0/10489=4, 4.6/10788=4...(7) HG2 LYS 24 - QE MET 46 OK 18 100 - 18 - 10902/4.2=5...(3) HG3 LYS 93 - QE MET 46 OK 18 100 - 18 - 3.0/10490=3, 3.8/10482=2...(6) Peak 10699 from cnoeabs.peaks (1.06, 2.42, 18.74 ppm; 2.90 A): 3 out of 4 assignments used, quality = 0.82: QG2 VAL 53 + QE MET 46 OK 57 100 - 57 - 10492=23, 3.2/10694=7...(14) HG13 ILE 91 + QE MET 46 OK 42 94 - 45 - 3.2/10700=11, 3.0/1086=7...(17) HG3 LYS 114 + QE MET 46 OK 27 100 - 27 - 3.7/10481=5, 2.9/10491=4...(8) HG2 ARG 35 - QE MET 46 lone 3 62 - 5 - 2.9/10491=2, 4.5/8170=1 Peak 10700 from cnoeabs.peaks (0.94, 2.42, 18.74 ppm; 3.56 A): 2 out of 3 assignments used, quality = 0.45: QG2 ILE 91 + QE MET 46 OK 36 68 - 54 - 2.1/1086=12...(20) QG2 VAL 63 + QE MET 46 OK 14 68 - 21 - 2.1/10493=7...(5) HB2 LEU 108 - QE MET 46 lone 5 77 - 7 - Peak 10701 from cnoeabs.peaks (0.51, 2.42, 18.74 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.64: QD1 LEU 42 + QE MET 46 OK 64 92 - 70 - 10494=29, 11008/3.3=15...(13) Peak 10702 from cnoeabs.peaks (0.32, 2.42, 18.74 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 91 + QE MET 46 OK 85 98 - 87 - 3.3/10700=29...(29) QD2 LEU 42 + QE MET 46 OK 75 85 - 88 - 2.1/10701=49, ~10708=22...(16) Peak 10704 from cnoeabs.peaks (7.30, 2.19, 31.86 ppm; 5.42 A): 3 out of 6 assignments used, quality = 0.67: QD TYR 115 + HB2 MET 46 OK 41 85 - 47 - 8170/4.2=19...(6) H PHE 67 + HB2 MET 46 OK 35 98 - 36 - ~1932=7, 8170/4.2=7...(10) H ASP 30 + HB2 MET 46 OK 14 77 - 18 - 8170/4.2=11, 11297=2 H ARG 35 - HB2 MET 46 poor 9 62 - 15 - 8170/4.2=5, ~591=3...(4) HZ2 TRP 17 - HB2 MET 46 lone 5 81 - 7 - 2.8/8038=5 QE PHE 106 - HB2 MET 46 lone 2 68 - 4 - 9278/9291=1 Peak 10705 from cnoeabs.peaks (8.54, 2.19, 31.86 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.99: H MET 46 + HB2 MET 46 OK 98 98 - 100 - 4.0=100 H CYS 121 + HB2 MET 46 OK 74 100 - 74 - 1058/1.8=15, 1074/3.0=14...(14) H GLN 111 - HB2 MET 46 OK 23 68 - 34 - 3.6/3591=6, 1040/3.0=5...(10) Peak 10707 from cnoeabs.peaks (1.05, 2.39, 34.70 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.95: HG13 ILE 91 + HG2 MET 46 OK 82 99 - 83 - 10699/3.3=14, ~10700=10...(27) QG2 VAL 53 + HG2 MET 46 OK 75 100 - 75 - 10492/3.3=23...(15) HG3 LYS 114 - HG2 MET 46 OK 38 100 - 38 - 10699/3.3=9, 11007/1.8=6...(9) Peak 10708 from cnoeabs.peaks (0.52, 2.39, 34.70 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.82: QD1 LEU 42 + HG2 MET 46 OK 82 100 - 83 - 10701/3.3=34...(18) Peak 10709 from cnoeabs.peaks (0.92, 2.39, 34.70 ppm; 5.43 A): 3 out of 7 assignments used, quality = 0.96: QG2 ILE 91 + HG2 MET 46 OK 81 92 - 88 - 3.2/10707=17...(29) QG1 VAL 53 + HG2 MET 46 OK 63 72 - 87 - ~8241=20, ~10492=19...(18) QD2 LEU 29 + HG2 MET 46 OK 40 99 - 41 - 10493/3.3=17...(7) HB2 LEU 64 - HG2 MET 46 OK 34 100 - 33 - 10493/3.3=8, ~10711=8...(8) QG2 VAL 63 - HG2 MET 46 OK 30 92 - 33 - ~10493=7, 9830/3.0=4...(9) QG1 VAL 63 - HG2 MET 46 OK 25 77 - 33 - ~10700=8, ~9830=4...(10) HB2 LEU 108 - HG2 MET 46 OK 13 85 - 15 - 10493/3.3=4, 3.2/9265=3...(4) Peak 10710 from cnoeabs.peaks (0.88, 2.19, 31.86 ppm; 5.40 A): 5 out of 6 assignments used, quality = 0.88: QD1 LEU 97 + HB2 MET 46 OK 42 100 - 42 - ~10106=8, ~9110=7...(9) HB3 LEU 42 + HB2 MET 46 OK 40 68 - 59 - ~10708=20, ~11008=20...(6) QG2 ILE 136 + HB2 MET 46 OK 37 100 - 37 - 9676/1.8=8, ~11005=4...(13) QG2 ILE 101 + HB2 MET 46 OK 26 100 - 26 - ~9173=4, ~9171=3...(9) QD1 ILE 101 + HB2 MET 46 OK 25 100 - 25 - 9173/3.0=7, ~9171=4...(6) QG2 VAL 80 - HB2 MET 46 lone 7 81 - 9 - 4722/10422=1...(3) Peak 10711 from cnoeabs.peaks (0.61, 2.19, 31.86 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.35: QD2 LEU 79 - HB2 MET 46 OK 26 100 - 26 - 8265=6, 8726/3.0=4...(9) QD2 LEU 64 - HB2 MET 46 OK 12 62 - 20 - 10500=4, ~8378=2...(6) Peak 10712 from cnoeabs.peaks (1.04, 2.19, 31.86 ppm; 5.62 A): 3 out of 5 assignments used, quality = 0.97: HG13 ILE 91 + HB2 MET 46 OK 78 96 - 81 - 10707/3.0=13...(24) HB2 LEU 116 + HB2 MET 46 OK 75 96 - 78 - ~9374=23, 10291/3.0=13...(18) QG2 VAL 53 + HB2 MET 46 OK 54 77 - 70 - 10492/4.2=22...(11) HG3 LYS 114 - HB2 MET 46 OK 29 81 - 35 - 10707/3.0=6, 11006/1.8=5...(11) QG2 THR 110 - HB2 MET 46 OK 20 81 - 24 - 3.2/3591=6, 3603/4.0=4...(6) Peak 10715 from cnoeabs.peaks (2.04, 2.39, 34.70 ppm; 4.98 A): 3 out of 4 assignments used, quality = 0.62: HG2 PRO 98 + HG2 MET 46 OK 38 94 - 40 - 2.3/1067=8, ~1059=7...(8) HB3 LYS 34 + HG2 MET 46 OK 22 94 - 24 - 2.9/10522=6, ~10485=3...(8) HB2 PRO 33 + HG2 MET 46 OK 20 100 - 20 - ~10489=3, ~10694=2...(5) HB2 GLU 90 - HG2 MET 46 lone 7 77 - 9 - 4.7/7055=3, 10077/2988=1...(4) Peak 10716 from cnoeabs.peaks (2.38, 7.23, 132.28 ppm; 6.80 A): 5 out of 7 assignments used, quality = 0.75: HB ILE 91 + QD PHE 45 OK 41 62 - 67 - 3.2/8993=19, 2.1/8998=18...(16) HG2 MET 46 + QD PHE 45 OK 31 59 - 52 - 5.1/6382=33...(7) HG3 GLU 37 + QD PHE 45 OK 17 70 - 24 - 3.8/749=4, 1.8/773=3...(12) HG2 MET 59 + QD PHE 45 OK 16 70 - 22 - 6388/4.8=4, ~10400=3...(7) HG3 MET 59 + QD PHE 45 OK 14 62 - 22 - 6388/4.8=4, ~10400=3...(6) HG2 GLN 25 - QD PHE 45 poor 10 62 - 16 - 6388/4.8=4, 10586/8998=2...(6) HG3 MET 11 - QD PHE 45 lone 5 70 - 7 - 9024/10086=1, 6388/4.8=1 Peak 10717 from cnoeabs.peaks (0.52, 7.23, 132.28 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.61: QD1 LEU 42 + QD PHE 45 OK 61 70 - 87 - 10738/2.2=49...(15) Peak 10718 from cnoeabs.peaks (8.53, 7.23, 132.28 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.51: H MET 46 + QD PHE 45 OK 42 42 - 100 - 4.8=100 H LEU 108 + QD PHE 45 OK 15 46 - 33 - 4.4/9914=14...(5) H GLN 111 - QD PHE 45 lone 6 69 - 8 - 10721/2.4=3, 6371/4.2=3 Peak 10719 from cnoeabs.peaks (8.80, 7.23, 132.28 ppm; 5.99 A): 1 out of 2 assignments used, quality = 0.72: H PHE 45 + QD PHE 45 OK 72 72 - 100 - 4.2=100 H LEU 79 - QD PHE 45 lone 1 39 - 3 - Peak 10720 from cnoeabs.peaks (8.54, 3.46, 38.81 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.96: H MET 46 + HB3 PHE 45 OK 96 96 - 100 - 4.4=100 H CYS 121 - HB3 PHE 45 OK 20 100 - 20 - 6371/3.5=9, 1018/3.0=5...(4) H GLN 111 - HB3 PHE 45 poor 8 62 - 14 - 6371/3.5=5, 10721/1.8=3 Peak 10721 from cnoeabs.peaks (8.53, 3.51, 38.81 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.96: H MET 46 + HB2 PHE 45 OK 96 96 - 100 - 4.4=100 H CYS 121 - HB2 PHE 45 OK 12 81 - 15 - 6371/3.5=8, 1018/3.0=4 H GLN 111 - HB2 PHE 45 OK 12 99 - 11 - 6371/3.5=4, 10718/2.4=3 Peak 10722 from cnoeabs.peaks (4.78, 7.13, 130.92 ppm; 5.16 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10728 from cnoeabs.peaks (6.72, 4.16, 62.87 ppm; 4.80 A): 0 out of 4 assignments used, low quality = 0.00: QE TYR 70 - HB2 SER 44 poor 7 72 - 10 - 8486=4, 8486/1.8=4 QE TYR 70 - HB3 SER 44 poor 7 72 - 10 - 8486=4, 8486/1.8=4 HZ PHE 43 - HB3 SER 44 lone 6 99 - 7 - 3.8/10730=2, 5.8/9814=1 HZ PHE 43 - HB2 SER 44 lone 6 99 - 6 - 3.8/10730=2, 5.8/9814=1 Peak 10729 from cnoeabs.peaks (7.23, 4.16, 62.87 ppm; 5.45 A): 2 out of 8 assignments used, quality = 0.51: QD PHE 45 + HB3 SER 44 OK 30 94 - 32 - 6368/4.6=26, 3.8/4826=4 QD PHE 45 + HB2 SER 44 OK 30 94 - 32 - 6368/4.6=26, 3.8/4826=4 H GLU 37 - HB3 SER 44 poor 10 72 - 14 - 6368/4.6=5, 3.6/6243=2 H GLU 37 - HB2 SER 44 poor 10 72 - 14 - 6368/4.6=5, 3.6/6243=2 HE3 TRP 17 - HB3 SER 44 lone 4 81 - 4 - 6368/4.6=3 HE3 TRP 17 - HB2 SER 44 lone 4 81 - 4 - 6368/4.6=3 HZ PHE 106 - HB3 SER 44 lone 2 62 - 3 - 6368/4.6=1 HZ PHE 106 - HB2 SER 44 lone 2 62 - 3 - 6368/4.6=1 Peak 10730 from cnoeabs.peaks (7.37, 4.16, 62.87 ppm; 5.06 A): 6 out of 6 assignments used, quality = 0.93: H ASP 41 + HB2 SER 44 OK 61 72 - 84 - 2.9/896=17, ~896=12...(22) H ASP 41 + HB3 SER 44 OK 61 72 - 84 - 2.9/896=17, ~896=12...(22) H GLY 77 + HB3 SER 44 OK 17 98 - 18 - 4.6/2251=4, 4.6/2263=3...(6) H GLY 77 + HB2 SER 44 OK 17 98 - 18 - 4.6/2251=4, 4.6/2263=3...(6) QD PHE 43 + HB3 SER 44 OK 17 62 - 27 - 5.0/6352=16, 3.8/10728=7...(4) QD PHE 43 + HB2 SER 44 OK 17 62 - 26 - 5.0/6352=16, 3.8/10728=7...(4) Peak 10732 from cnoeabs.peaks (1.02, 3.45, 57.70 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.82: QD2 LEU 116 + HA LEU 42 OK 46 62 - 73 - 9392/3.8=21, 9391/3.9=17...(14) QD2 LEU 69 + HA LEU 42 OK 44 68 - 65 - 8143/3.9=13...(11) HB2 LEU 116 + HA LEU 42 OK 40 68 - 60 - ~10733=11, 11086/3.9=11...(11) QG2 THR 110 - HA LEU 42 lone 8 89 - 9 - 10828/4.9=5 Peak 10735 from cnoeabs.peaks (6.30, 0.31, 25.30 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.71: QD TYR 119 + QD2 LEU 42 OK 71 77 - 92 - 8160/2.1=46, 2.2/8162=42...(14) Peak 10736 from cnoeabs.peaks (6.93, 0.52, 22.80 ppm; 5.23 A): 0 out of 2 assignments used, low quality = 0.11: QD TYR 112 - QD1 LEU 42 OK 11 100 - 12 - 8459/8143=4, 9407/8151=3 QD PHE 23 - QD1 LEU 42 poor 10 77 - 13 - 9402/9391=3...(4) Peak 10737 from cnoeabs.peaks (7.00, 0.52, 22.80 ppm; 5.04 A): 5 out of 6 assignments used, quality = 0.89: HZ PHE 45 + QD1 LEU 42 OK 62 96 - 65 - 2.2/10738=40...(5) QE PHE 43 + QD1 LEU 42 OK 51 96 - 53 - 11224/2.1=24...(8) HD22 ASN 128 + QD1 LEU 42 OK 20 100 - 20 - 3.4/8148=7, ~9524=6...(4) HZ PHE 67 + QD1 LEU 42 OK 16 99 - 17 - 11224/2.1=9, 7.2/8157=3...(4) HH2 TRP 17 + QD1 LEU 42 OK 11 96 - 12 - 8163/2.1=3, 9429/9421=2...(4) HD22 ASN 130 - QD1 LEU 42 lone 9 100 - 9 - 9429/9421=2...(3) Peak 10738 from cnoeabs.peaks (7.12, 0.52, 22.80 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.64: QE PHE 45 + QD1 LEU 42 OK 64 100 - 64 - 2.2/8161=28...(10) Peak 10739 from cnoeabs.peaks (7.86, 0.52, 22.80 ppm; 4.54 A): 3 out of 3 assignments used, quality = 0.93: H TYR 119 + QD1 LEU 42 OK 89 99 - 90 - 9420=43, 4.0/8160=32...(14) H PHE 38 + QD1 LEU 42 OK 23 72 - 32 - 6.3/8159=17, 3.6/8161=10...(4) H ALA 135 + QD1 LEU 42 OK 12 94 - 13 - 3980/9421=3...(4) Peak 10740 from cnoeabs.peaks (8.54, 0.52, 22.80 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.84: H MET 46 + QD1 LEU 42 OK 69 96 - 72 - 5.1/10708=19...(13) H CYS 121 + QD1 LEU 42 OK 46 100 - 47 - 4.0/9439=18, 4.1/10920=9...(11) H GLN 111 - QD1 LEU 42 lone 6 62 - 9 - ~11417=2, 4.7/8148=1 Peak 10741 from cnoeabs.peaks (8.78, 0.52, 22.80 ppm; 4.56 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10742 from cnoeabs.peaks (7.32, 0.31, 25.30 ppm; 5.65 A): 4 out of 4 assignments used, quality = 0.70: QD TYR 115 + QD2 LEU 42 OK 44 72 - 61 - 2.5/11599=26, ~10920=16...(12) H GLU 81 + QD2 LEU 42 OK 29 81 - 36 - 8776/8813=14...(8) H ASP 30 + QD2 LEU 42 OK 14 81 - 17 - 9883/8156=3, 9999/8813=3...(7) H ARG 35 + QD2 LEU 42 OK 12 92 - 13 - 8132/8122=5...(3) Peak 10743 from cnoeabs.peaks (8.64, 0.31, 25.30 ppm; 6.07 A): 2 out of 2 assignments used, quality = 1.00: H LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 5.1=100 H LEU 69 + QD2 LEU 42 OK 66 94 - 70 - 946/2.1=17, 909/3.8=14...(14) Peak 10744 from cnoeabs.peaks (8.77, 0.31, 25.30 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.97: H PHE 43 + QD2 LEU 42 OK 97 99 - 98 - 6329/2.1=48, 6326/3.1=43...(15) Peak 10745 from cnoeabs.peaks (8.76, -0.23, 40.39 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: H PHE 43 + HB2 LEU 42 OK 100 100 - 100 - 4.5=100 Peak 10746 from cnoeabs.peaks (7.21, 3.45, 57.70 ppm; 5.68 A): 2 out of 5 assignments used, quality = 0.81: QD PHE 45 + HA LEU 42 OK 74 81 - 91 - 2.4/919=48, 2.4/1022=45...(9) H GLU 37 + HA LEU 42 OK 27 98 - 27 - 8161/3.9=13, 1027/918=5...(5) HE3 TRP 88 - HA LEU 42 poor 9 85 - 10 - 4753/8165=4, 8161/3.9=4 QD TYR 27 - HA LEU 42 lone 6 89 - 7 - 8161/3.9=3, 4753/8165=2 HE3 TRP 17 - HA LEU 42 lone 5 94 - 5 - 8161/3.9=2 Peak 10747 from cnoeabs.peaks (6.24, 2.80, 41.76 ppm; 6.14 A): 0 out of 1 assignment used, low quality = 0.23: QE TYR 119 - HB3 ASP 41 OK 23 100 - 23 - 9431=10, 9433/8148=6...(4) Peak 10748 from cnoeabs.peaks (7.37, 2.83, 39.41 ppm; 5.41 A): 2 out of 12 assignments used, quality = 0.97: H ASP 41 + HB2 ASP 40 OK 94 94 - 100 - 4.4=100 H LYS 114 + HB2 ASP 40 OK 46 72 - 63 - 873/3.0=10, 3.0/3739=10...(14) H ASP 41 - HB2 ASN 139 OK 22 44 - 50 - ~892=9, 6299/1.8=9...(9) H ASP 41 - HB3 ASN 54 OK 19 62 - 31 - 3.6/871=9, 4.1/6284=9...(6) H LYS 114 - HB2 ASN 139 OK 14 31 - 47 - 3.0/3739=8, 4.9/3785=7...(10) H ARG 49 - HB2 ASP 40 poor 9 62 - 14 - 6286/3.3=3, 2.9/10487=2...(5) H LYS 114 - HB3 ASN 54 poor 8 43 - 18 - ~10247=4, 10749/1.8=2...(9) H ARG 49 - HB2 ASN 139 poor 3 26 - 12 - ~10354=2, 2.9/10487=2 H GLY 77 - HB2 ASP 40 lone 3 81 - 3 - 10749/1.8=1 H GLY 77 - HB2 ASN 139 lone 2 36 - 5 - 8682/4600=1, 10777/9729=1 H ARG 49 - HB3 ASN 54 lone 1 37 - 3 - H GLY 77 - HB3 ASN 54 lone 1 50 - 2 - Peak 10749 from cnoeabs.peaks (7.37, 2.75, 39.41 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.97: H ASP 41 + HB3 ASP 40 OK 94 94 - 100 - 4.4=100 H LYS 114 + HB3 ASP 40 OK 53 72 - 73 - 873/3.0=13, ~3739=11...(18) H ASP 41 - HB2 ASN 54 OK 20 62 - 33 - 3.6/876=11, 4.1/6285=8...(6) H LYS 114 - HB2 ASN 54 OK 12 43 - 28 - ~10247=7, 3.6/3685=2...(12) H ARG 49 - HB3 ASP 40 OK 11 62 - 17 - 6286/3.3=3, 873/3.0=2...(4) H GLY 77 - HB3 ASP 40 poor 8 81 - 10 - 10488/1.8=2, 4.6/2258=1 H GLY 77 - HB2 ASN 54 lone 2 50 - 5 - H ARG 49 - HB2 ASN 54 lone 2 37 - 5 - Peak 10750 from cnoeabs.peaks (6.98, 1.38, 40.66 ppm; 6.05 A): 2 out of 2 assignments used, quality = 0.70: QD PHE 38 + HB3 LEU 39 OK 58 62 - 94 - 8131/3.2=39, ~8129=38...(11) HD2 HIS 10 + HB3 LEU 39 OK 29 100 - 28 - 8131/3.2=11, 6260/3.3=8...(4) Peak 10751 from cnoeabs.peaks (6.99, 0.98, 40.66 ppm; 5.87 A): 4 out of 6 assignments used, quality = 0.88: QE PHE 43 + HB2 LEU 39 OK 67 92 - 73 - ~8130=33, 4755/3.2=23...(8) HZ PHE 67 + HB2 LEU 39 OK 42 85 - 49 - ~10940=15, 4755/3.2=12...(6) HH2 TRP 17 + HB2 LEU 39 OK 21 92 - 23 - ~8130=21 HD2 HIS 10 + HB2 LEU 39 OK 21 85 - 24 - 10750/1.8=9, 8131/3.2=7...(5) HD22 ASN 128 - HB2 LEU 39 lone 2 77 - 2 - HD22 ASN 130 - HB2 LEU 39 lone 1 77 - 2 - Peak 10752 from cnoeabs.peaks (8.27, 0.98, 40.66 ppm; 4.74 A): 1 out of 5 assignments used, quality = 0.98: H LEU 39 + HB2 LEU 39 OK 98 98 - 100 - 3.3=100 H GLN 25 - HB2 LEU 39 OK 32 92 - 34 - 853/3.2=8, 837/1.8=7...(8) H GLY 143 - HB2 LEU 39 OK 26 100 - 26 - 837/1.8=6, 816/3.0=4...(8) H ASP 32 - HB2 LEU 39 OK 21 98 - 21 - 837/1.8=4, 861/3.2=4...(6) H ALA 105 - HB2 LEU 39 lone 2 81 - 2 - Peak 10753 from cnoeabs.peaks (8.60, 0.98, 40.66 ppm; 6.35 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10754 from cnoeabs.peaks (8.64, 3.14, 57.29 ppm; 6.71 A): 2 out of 2 assignments used, quality = 0.97: H LEU 42 + HA LEU 39 OK 92 100 - 92 - 3.8/825=34, 6305/3.6=33...(17) H LEU 69 + HA LEU 39 OK 58 100 - 58 - 6287/3.6=19, 4.0/6711=10...(15) Peak 10755 from cnoeabs.peaks (8.59, 0.67, 22.21 ppm; 4.43 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10756 from cnoeabs.peaks (7.81, 0.02, 26.33 ppm; 5.86 A): 2 out of 5 assignments used, quality = 0.96: H TYR 27 + QD1 LEU 39 OK 90 94 - 95 - 3.0/8046=46, 11186=44...(13) H LEU 26 + QD1 LEU 39 OK 65 68 - 96 - 4.8/10578=36...(15) H THR 110 - QD1 LEU 39 OK 17 85 - 20 - 4.6/856=5, 7307/3.2=2...(6) H GLY 94 - QD1 LEU 39 OK 12 100 - 12 - 283/8046=1, 7103/10977=1...(4) H SER 44 - QD1 LEU 39 lone 7 100 - 7 - Peak 10757 from cnoeabs.peaks (6.95, 1.77, 26.52 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.69: QD PHE 38 + HG LEU 39 OK 69 81 - 84 - ~8129=35, 8126/2.1=33...(14) HD21 ASN 139 - HG LEU 39 lone 6 99 - 6 - 8126/2.1=2, 9732/9643=1 QD PHE 23 - HG LEU 39 lone 5 68 - 7 - 10555/614=2, 10779/851=2 Peak 10758 from cnoeabs.peaks (2.97, 0.02, 26.33 ppm; 5.25 A): 4 out of 4 assignments used, quality = 0.94: HB3 TYR 27 + QD1 LEU 39 OK 75 100 - 75 - 3.0/8046=43...(8) HA VAL 71 + QD1 LEU 39 OK 61 100 - 61 - 3.6/860=13, 8118/2.1=12...(17) HA VAL 82 + QD1 LEU 39 OK 31 72 - 43 - 8118/2.1=10, 3.0/856=5...(17) HB2 ASP 30 + QD1 LEU 39 OK 12 89 - 14 - 286/8046=5, 8118/2.1=3...(4) Peak 10760 from cnoeabs.peaks (2.73, 6.23, 129.00 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: HB2 PHE 38 + HZ PHE 38 OK 99 99 - 100 - 5.8=100 HB3 TYR 70 + HZ PHE 38 OK 74 99 - 75 - 11541=49, 11543/3.8=38...(5) HB3 GLU 120 - HZ PHE 38 OK 30 97 - 30 - 5557/3.8=9, 810/5.8=8...(5) HB3 MET 46 - HZ PHE 38 OK 13 86 - 15 - 5557/3.8=4, 810/5.8=3...(5) HB2 ASN 84 - HZ PHE 38 lone 6 65 - 10 - 5557/3.8=3, 810/5.8=2...(4) HB2 ASN 96 - HZ PHE 38 lone 4 90 - 5 - 4557/3.8=1 Peak 10761 from cnoeabs.peaks (0.28, 6.23, 129.00 ppm; 5.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10763 from cnoeabs.peaks (0.65, 6.97, 131.22 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.79: QD2 LEU 39 + QD PHE 38 OK 59 67 - 89 - 2.1/8126=38, 8129/2.2=32...(14) QD2 LEU 66 + QD PHE 38 OK 49 62 - 79 - ~8521=29, 8394=22...(14) Peak 10766 from cnoeabs.peaks (4.08, 2.01, 30.23 ppm; 3.42 A): 4 out of 12 assignments used, quality = 0.85: HA LYS 34 + HB2 GLU 37 OK 44 94 - 47 - 10918/3.0=15, 9799/3.0=9...(13) HA LYS 34 + HB3 GLU 37 OK 42 90 - 46 - 10918/3.0=15, 9799/3.0=9...(12) HA GLU 90 + HB3 GLU 37 OK 32 96 - 33 - 2910=5, 2910/1.8=4...(12) HA GLU 90 + HB2 GLU 37 OK 30 99 - 31 - 2910/1.8=5, 2910=5...(11) HA LEU 26 - HB2 GLU 37 lone 5 85 - 6 - 10918/3.0=2, 10889/4.0=2 HD3 PRO 33 - HB2 GLU 37 lone 5 72 - 7 - HD3 PRO 33 - HB3 GLU 37 lone 5 68 - 7 - HA LEU 26 - HB3 GLU 37 lone 5 81 - 6 - 10918/3.0=2, 10889/4.0=2 HA VAL 53 - HB2 GLU 37 lone 2 100 - 2 - HA VAL 53 - HB3 GLU 37 lone 2 98 - 2 - HA LEU 132 - HB2 GLU 37 lone 1 99 - 1 - HA LEU 132 - HB3 GLU 37 lone 1 96 - 1 - Peak 10768 from cnoeabs.peaks (6.92, 2.23, 36.00 ppm; 4.86 A): 0 out of 2 assignments used, low quality = 0.00: H LEU 29 - HG2 GLU 37 lone 5 77 - 6 - 4.3/320=1, 3.6/306=1 QD TYR 112 - HG2 GLU 37 lone 3 94 - 3 - Peak 10771 from cnoeabs.peaks (6.65, 4.03, 58.84 ppm; 4.88 A): 0 out of 2 assignments used, low quality = 0.15: HD21 ASN 84 - HA GLN 25 OK 15 35 - 43 - 1.7/8844=22, 8842=21 HE22 GLN 111 - HA GLN 25 lone 2 41 - 4 - ~11463=1 Peak 10777 from cnoeabs.peaks (6.70, 1.41, 25.32 ppm; 5.65 A): 3 out of 3 assignments used, quality = 0.94: * QE TYR 27 + HG2 LYS 36 OK 84 89 - 95 - 11180/3.8=27...(21) QE TYR 70 + HG2 LYS 36 OK 51 100 - 51 - 9779/1.8=14, 8101/3.8=14...(7) HZ PHE 43 + HG2 LYS 36 OK 19 77 - 25 - 9779/1.8=5, 8101/3.8=5...(7) Peak 10779 from cnoeabs.peaks (6.76, 3.87, 59.28 ppm; 4.80 A): 0 out of 1 assignment used, low quality = 0.15: HZ3 TRP 17 - HA LYS 36 OK 15 89 - 17 - 2.5/657=7, 4522/3.6=4...(4) Peak 10781 from cnoeabs.peaks (8.90, 1.41, 25.32 ppm; 6.30 A): 0 out of 2 assignments used, low quality = 0.41: H LYS 34 - HG2 LYS 36 OK 41 100 - 41 - 3.6/10606=19, 4.6/6185=8...(6) H ASN 84 - HG2 LYS 36 poor 10 92 - 11 - 449/10606=2, 473/686=1...(4) Peak 10782 from cnoeabs.peaks (8.34, 1.73, 28.90 ppm; 5.73 A): 3 out of 6 assignments used, quality = 0.61: H GLY 78 + HB2 GLU 81 OK 36 66 - 54 - 3.6/9994=26, 3.6/8689=14...(6) H GLY 78 + HB3 GLU 81 OK 32 77 - 42 - 3.6/8685=14, 3.6/8689=12...(5) H GLY 78 + HD2 LYS 36 OK 11 100 - 11 - 3.6/8685=2, 3.6/8689=2...(4) H ASP 13 - HD2 LYS 36 lone 3 89 - 4 - ~9773=1 H ASP 13 - HB2 GLU 81 lone 2 54 - 4 - H ASP 13 - HB3 GLU 81 lone 2 64 - 3 - Peak 10783 from cnoeabs.peaks (7.30, 3.87, 59.28 ppm; 4.98 A): 4 out of 4 assignments used, quality = 0.94: H ARG 35 + HA LYS 36 OK 82 92 - 89 - 11235=43, 6191/2.8=33...(11) QD TYR 115 + HA LYS 36 OK 45 100 - 46 - ~10814=13, 10784/3.0=10...(8) H ASP 30 + HA LYS 36 OK 26 98 - 27 - 6194/2.8=7, 6214/3.6=4...(9) H PHE 67 + HA LYS 36 OK 20 77 - 26 - 9867/11207=4...(8) Peak 10784 from cnoeabs.peaks (7.30, 2.09, 32.16 ppm; 5.00 A): 4 out of 4 assignments used, quality = 0.89: H ARG 35 + HB3 LYS 36 OK 71 92 - 78 - 11235/3.0=32...(11) QD TYR 115 + HB3 LYS 36 OK 46 100 - 47 - ~10814=17, 10783/3.0=9...(10) H ASP 30 + HB3 LYS 36 OK 17 98 - 18 - 6194/3.9=6, 10783/3.0=5...(4) H PHE 67 + HB3 LYS 36 OK 17 77 - 22 - 10783/3.0=4, 4.4/677=4...(5) Peak 10789 from cnoeabs.peaks (4.04, 3.87, 59.28 ppm; 4.43 A): 3 out of 3 assignments used, quality = 0.80: HD2 PRO 33 + HA LYS 36 OK 50 96 - 52 - 10786/2.8=11, 2.3/650=7...(20) HA GLN 25 + HA LYS 36 OK 48 100 - 48 - ~11462=13, 10786/2.8=11...(12) HA LYS 24 + HA LYS 36 OK 25 68 - 38 - 11340/2.8=11, ~11341=9...(7) Peak 10790 from cnoeabs.peaks (4.41, 1.87, 32.16 ppm; 4.55 A): 3 out of 9 assignments used, quality = 0.77: HA PRO 33 + HB2 LYS 36 OK 65 100 - 65 - 10791/1.8=29...(15) HA ASP 40 + HB2 LYS 36 OK 21 72 - 28 - ~6272=13, 10791/1.8=9...(4) HA PRO 57 + HB2 LYS 36 OK 17 100 - 17 - 10791/1.8=7, 10787/3.9=6 HA PRO 33 - HB3 LYS 48 lone 6 79 - 8 - 10791/674=2...(3) HA PRO 33 - HB2 LYS 48 lone 6 74 - 8 - 10791/674=2...(3) HA PRO 57 - HB3 LYS 48 lone 5 79 - 6 - HA PRO 57 - HB2 LYS 48 lone 4 73 - 6 - HA ASP 40 - HB3 LYS 48 lone 2 51 - 4 - HA ASP 40 - HB2 LYS 48 lone 2 46 - 4 - Peak 10791 from cnoeabs.peaks (4.41, 2.09, 32.16 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.64: HA PRO 33 + HB3 LYS 36 OK 51 99 - 52 - 10790/1.8=15...(11) HA ASP 40 + HB3 LYS 36 OK 16 85 - 19 - ~6272=9, 10787/3.9=5 HA PRO 57 + HB3 LYS 36 OK 12 98 - 12 - 10787/3.9=4, 10790/1.8=4 Peak 10792 from cnoeabs.peaks (4.37, 1.73, 28.90 ppm; 4.67 A): 5 out of 15 assignments used, quality = 0.73: HA ARG 144 + HD2 LYS 36 OK 46 72 - 64 - 3.0/4886=8, 3.9/4913=6...(31) HA ARG 144 + HB3 GLU 81 OK 21 50 - 42 - 3.0/4886=5, 4877=3...(22) HA ARG 144 + HB2 GLU 81 OK 17 41 - 42 - 3.0/4886=4, ~4886=3...(22) HA ASP 30 + HD2 LYS 36 OK 13 68 - 19 - 10615/3.0=10, 10615/3.0=10 HA ASN 96 + HD2 LYS 36 OK 10 100 - 10 - 10999/3.0=4, 10999/3.0=4 HB THR 51 - HB3 GLU 81 poor 10 57 - 17 - 2.1/11393=3, 8768/3.0=3...(6) HB THR 51 - HB2 GLU 81 poor 8 48 - 16 - 2.1/11393=3, 8768/3.0=3...(6) HB THR 18 - HD2 LYS 36 lone 7 89 - 7 - 10999/3.0=2, 10999/3.0=2 HB THR 51 - HD2 LYS 36 lone 5 81 - 6 - 2.1/11393=2 HA ASN 96 - HB2 GLU 81 lone 2 67 - 3 - HA ASN 96 - HB3 GLU 81 lone 2 78 - 2 - HB THR 18 - HB3 GLU 81 lone 1 64 - 2 - HA ASP 30 - HB3 GLU 81 lone 1 46 - 2 - HB THR 18 - HB2 GLU 81 lone 1 54 - 2 - HA ASP 30 - HB2 GLU 81 lone 1 38 - 2 - Peak 10799 from cnoeabs.peaks (4.62, 2.03, 31.79 ppm; 4.08 A): 2 out of 8 assignments used, quality = 0.52: HA ARG 124 + HB3 LYS 34 OK 37 94 - 39 - 4198/1.8=5, ~4207=3...(17) HA LEU 87 + HB3 LYS 34 OK 23 72 - 32 - 4.1/8898=6, 10798/4.1=4...(12) HA LEU 87 - HB2 PRO 33 poor 6 36 - 17 - 10525/2.3=5, 10798/4.3=4...(7) HA HIS 10 - HB3 LYS 34 lone 6 72 - 8 - HA ARG 124 - HB2 PRO 33 poor 5 52 - 11 - 10798/4.3=3, 10525/2.3=3 HA ASP 16 - HB2 PRO 33 lone 4 59 - 6 - 424/3.0=1 HA ASP 16 - HB3 LYS 34 lone 3 100 - 3 - HA HIS 10 - HB2 PRO 33 lone 0 36 - 1 - Peak 10800 from cnoeabs.peaks (7.08, 1.79, 28.37 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.51: H MET 68 + HD2 LYS 34 OK 26 89 - 30 - 9798/2.9=21, 6666/2.9=5...(4) H MET 68 + HD3 LYS 34 OK 26 89 - 29 - 9798/2.9=21, 6666/2.9=5...(4) QD TYR 70 + HD2 LYS 34 OK 10 100 - 10 - 9795/2.9=7, 5.0/8495=2 QD TYR 70 - HD3 LYS 34 lone 10 100 - 10 - 9795/2.9=7, 5.0/8495=2 Peak 10801 from cnoeabs.peaks (7.22, 1.79, 28.37 ppm; 4.76 A): 2 out of 6 assignments used, quality = 0.47: H GLU 37 + HD3 LYS 34 OK 27 98 - 28 - 8094/5.8=11, 6192/6181=5...(9) H GLU 37 + HD2 LYS 34 OK 27 98 - 28 - 8094/5.8=11, 6192/6181=5...(8) HE3 TRP 17 - HD2 LYS 34 lone 10 100 - 10 - 5.3/8040=5, 8094/5.8=3 HE3 TRP 17 - HD3 LYS 34 lone 10 100 - 10 - 5.3/8040=5, 8094/5.8=3 QD PHE 45 - HD3 LYS 34 lone 6 100 - 6 - 8094/5.8=1 QD PHE 45 - HD2 LYS 34 lone 6 100 - 6 - 8094/5.8=1 Peak 10802 from cnoeabs.peaks (7.06, 1.50, 25.32 ppm; 5.45 A): 3 out of 3 assignments used, quality = 0.83: QE PHE 67 + HG2 LYS 34 OK 50 100 - 51 - 9796/2.9=36...(4) H MET 68 + HG2 LYS 34 OK 44 85 - 52 - 9798/1.8=40, 6666/3.7=5...(7) HD1 TRP 17 + HG2 LYS 34 OK 39 96 - 41 - 10805/2.9=15, ~8039=12...(4) Peak 10805 from cnoeabs.peaks (7.05, 1.96, 31.79 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.56: HD1 TRP 17 + HB2 LYS 34 OK 34 100 - 34 - 10804/4.1=13...(4) QE PHE 67 + HB2 LYS 34 OK 33 99 - 33 - 10804/4.1=20...(3) QE PHE 67 - HB3 MET 11 lone 4 67 - 7 - ~8417=2, 10804/6164=2 HD1 TRP 17 - HB3 MET 11 lone 3 70 - 4 - 10804/6164=1 Peak 10807 from cnoeabs.peaks (2.41, 1.79, 28.37 ppm; 4.83 A): 4 out of 14 assignments used, quality = 0.68: HB3 PRO 118 + HD2 LYS 34 OK 30 99 - 30 - 10522/2.9=7, ~11479=2...(13) HB3 PRO 118 + HD3 LYS 34 OK 30 99 - 30 - 10522/2.9=7, ~11479=2...(13) QE MET 46 + HD2 LYS 34 OK 19 100 - 19 - 10485/4.7=4, ~10715=4...(4) QE MET 46 + HD3 LYS 34 OK 19 100 - 19 - 10485/4.7=4, ~10715=4...(4) HG3 GLN 25 - HD2 LYS 34 poor 9 72 - 13 - 10522/2.9=3, 4.9/11369=2 HG3 GLN 25 - HD3 LYS 34 poor 9 72 - 13 - 10522/2.9=3, 4.9/11369=2 HG3 GLN 47 - HD2 LYS 34 lone 7 81 - 8 - 10427/2.9=2, ~10427=1, ~10678=1 HG2 GLN 47 - HD2 LYS 34 lone 7 81 - 8 - 10427/2.9=2, ~10427=1, ~10678=1 HG3 GLN 47 - HD3 LYS 34 lone 7 81 - 8 - 10427/2.9=2, ~10427=1, ~10678=1 HG2 GLN 47 - HD3 LYS 34 lone 7 81 - 8 - 10427/2.9=2, ~10427=1, ~10678=1 HG3 GLN 133 - HD2 LYS 34 lone 5 96 - 5 - 10427/2.9=1 HG3 GLN 133 - HD3 LYS 34 lone 5 96 - 5 - 10427/2.9=1 HG2 GLN 133 - HD2 LYS 34 lone 5 94 - 5 - 10427/2.9=1 HG2 GLN 133 - HD3 LYS 34 lone 5 94 - 5 - 10427/2.9=1 Peak 10808 from cnoeabs.peaks (2.21, 1.79, 28.37 ppm; 3.93 A): 0 out of 8 assignments used, low quality = 0.25: HB3 PRO 12 - HD3 LYS 34 OK 13 98 - 14 - 10582/4.7=3, ~8011=1...(4) HB3 PRO 12 - HD2 LYS 34 OK 13 98 - 14 - 10582/4.7=3, ~8011=1...(4) HB2 GLU 28 - HD3 LYS 34 lone 9 94 - 9 - 10582/4.7=2, ~10863=2...(5) HB2 GLU 28 - HD2 LYS 34 lone 9 94 - 9 - 10582/4.7=2, ~10863=2...(5) HG2 GLU 28 - HD3 LYS 34 lone 8 85 - 9 - ~10863=2, ~10540=2...(4) HG2 GLU 28 - HD2 LYS 34 lone 8 85 - 9 - ~10863=2, ~10540=2...(4) HG2 GLU 75 - HD3 LYS 34 lone 3 68 - 5 - HG2 GLU 75 - HD2 LYS 34 lone 3 68 - 5 - Peak 10809 from cnoeabs.peaks (7.32, 2.10, 27.30 ppm; 5.62 A): 3 out of 4 assignments used, quality = 0.82: H ARG 35 + HG2 PRO 33 OK 60 99 - 61 - 4.6/473=28, 4.6/467=13...(11) QD TYR 115 + HG2 PRO 33 OK 48 89 - 54 - ~10215=15, ~9345=9...(14) H ASP 30 + HG2 PRO 33 OK 12 94 - 13 - 4.2/10994=3, 6172/473=2...(4) H GLU 81 - HG2 PRO 33 lone 4 62 - 6 - 10178/10810=1 Peak 10810 from cnoeabs.peaks (4.63, 2.10, 27.30 ppm; 3.56 A): 4 out of 6 assignments used, quality = 0.83: HA ASP 32 + HG2 PRO 33 OK 74 94 - 78 - 425/2.3=27, 423/2.3=26...(14) HG1 THR 110 + HG2 PRO 33 OK 15 92 - 16 - 424/2.3=4, 422/2.3=4, 2.8/472=2 HA LEU 87 + HG2 PRO 33 OK 15 99 - 15 - 422/2.3=3, 424/2.3=3...(6) HA GLN 111 + HG2 PRO 33 OK 10 92 - 11 - 422/2.3=3, 424/2.3=3...(4) HA ASN 139 - HG2 PRO 33 poor 7 62 - 10 - 422/2.3=3, 424/2.3=3...(4) HA ASP 16 - HG2 PRO 33 lone 3 85 - 4 - Peak 10813 from cnoeabs.peaks (7.32, 2.69, 42.22 ppm; 4.83 A): 3 out of 3 assignments used, quality = 0.69: H ARG 35 + HB2 ASP 32 OK 53 77 - 69 - 9771/1.8=30...(7) H GLU 81 + HB2 ASP 32 OK 27 94 - 28 - 9771/1.8=15, 4.0/10804=5...(5) H ASP 30 + HB2 ASP 32 OK 11 62 - 17 - 8082/4.0=13 Peak 10819 from cnoeabs.peaks (8.88, 2.89, 42.22 ppm; 4.88 A): 0 out of 2 assignments used, low quality = 0.00: H ASN 84 - HB3 ASP 32 poor 9 68 - 14 - 4.7/11168=6, 4.0/3999=2...(4) H MET 113 - HB3 ASP 32 lone 2 89 - 2 - ~7393=1 Peak 10820 from cnoeabs.peaks (8.90, 2.69, 42.22 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.84: H LYS 34 + HB2 ASP 32 OK 80 99 - 81 - 6162/4.8=25...(8) H ASN 84 + HB2 ASP 32 OK 21 89 - 23 - 433/4.8=11, 441/4.8=10...(4) Peak 10829 from cnoeabs.peaks (9.67, 0.96, 25.10 ppm; 5.03 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10830 from cnoeabs.peaks (9.19, 1.49, 42.06 ppm; 5.84 A): 2 out of 2 assignments used, quality = 0.92: H ASP 65 + HB3 LEU 29 OK 81 96 - 84 - 8072/3.1=26...(11) H TYR 112 + HB3 LEU 29 OK 58 98 - 60 - 11693/3.0=37...(7) Peak 10831 from cnoeabs.peaks (9.66, 1.49, 42.06 ppm; 6.21 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10832 from cnoeabs.peaks (7.31, 2.16, 26.52 ppm; 5.17 A): 3 out of 3 assignments used, quality = 0.99: H ASP 30 + HG LEU 29 OK 88 100 - 88 - 4.4/363=26, 6133=26...(11) QD TYR 115 + HG LEU 29 OK 71 100 - 71 - ~9356=14, 386/2.1=14...(12) H ARG 35 + HG LEU 29 OK 65 100 - 65 - 6188/2.1=16, 378/2.1=12...(11) Peak 10833 from cnoeabs.peaks (7.69, 2.16, 26.52 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.95: H ALA 134 + HG LEU 29 OK 79 100 - 79 - 10834/2.1=19, 7723/3.0=9...(24) H GLU 28 + HG LEU 29 OK 75 98 - 76 - 4.7/363=26, 10834/2.1=15...(10) H PHE 106 - HG LEU 29 OK 35 99 - 36 - 10834/2.1=9, 6115/5.2=5...(11) Peak 10834 from cnoeabs.peaks (7.69, 0.91, 23.00 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.93: H ALA 134 + QD2 LEU 29 OK 74 99 - 75 - 10833/2.1=13, 3.2/9622=9...(29) H GLU 28 + QD2 LEU 29 OK 59 89 - 67 - 4.7/371=23, 3.0/8058=18...(11) H PHE 106 + QD2 LEU 29 OK 33 92 - 36 - 10833/2.1=6, 6115/4.9=4...(14) Peak 10835 from cnoeabs.peaks (7.84, 0.96, 25.10 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.81: H LEU 26 + QD1 LEU 29 OK 56 77 - 72 - 2.9/8060=13, ~10851=11...(16) H ALA 135 + QD1 LEU 29 OK 47 72 - 64 - ~10834=11, ~10833=10...(23) H ARG 55 + QD1 LEU 29 OK 20 100 - 20 - 10618/2.1=16, 11456/8580=1 H TRP 17 - QD1 LEU 29 lone 5 100 - 5 - 6049/10837=2 Peak 10836 from cnoeabs.peaks (5.98, 0.96, 25.10 ppm; 4.81 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10837 from cnoeabs.peaks (7.06, 0.96, 25.10 ppm; 5.81 A): 2 out of 3 assignments used, quality = 0.72: H MET 68 + QD1 LEU 29 OK 52 68 - 78 - 10529=34, 4.4/11531=19...(13) QE PHE 67 + QD1 LEU 29 OK 42 100 - 42 - 4.4/10844=12...(11) HD1 TRP 17 - QD1 LEU 29 lone 3 100 - 3 - Peak 10838 from cnoeabs.peaks (7.70, 3.94, 58.31 ppm; 4.76 A): 3 out of 3 assignments used, quality = 0.84: H GLU 28 + HA LEU 29 OK 60 96 - 63 - 6113/3.0=34...(6) H ALA 134 + HA LEU 29 OK 47 81 - 57 - 6115/3.0=12, 10833/3.7=7...(15) H PHE 106 + HA LEU 29 OK 26 94 - 27 - 10827/3.6=10, 6115/3.0=6...(9) Peak 10840 from cnoeabs.peaks (8.54, 0.91, 23.00 ppm; 5.14 A): 2 out of 3 assignments used, quality = 0.51: H GLN 111 + QD2 LEU 29 OK 36 96 - 37 - ~11693=21, ~8072=10...(4) H MET 46 + QD2 LEU 29 OK 24 100 - 24 - 5.9/10493=10, ~10501=6...(5) H CYS 121 - QD2 LEU 29 lone 8 92 - 9 - 9443/9356=3, 1082/10493=2 Peak 10841 from cnoeabs.peaks (1.29, 0.91, 23.00 ppm; 3.84 A): 0 out of 7 assignments used, low quality = 0.33: QB ALA 104 - QD2 LEU 29 OK 14 77 - 18 - 10198/3.2=2, 9197/8074=2...(6) HG13 ILE 58 - QD2 LEU 29 OK 13 100 - 13 - 2.1/8292=6, 3.2/8272=4 HG12 ILE 58 - QD2 LEU 29 OK 11 92 - 12 - 2.1/8292=6, 3.2/8272=4 HG LEU 79 - QD2 LEU 29 poor 7 62 - 10 - ~8737=6 HG3 LYS 24 - QD2 LEU 29 lone 6 81 - 7 - 4.0/10851=3, ~9779=1 HG LEU 87 - QD2 LEU 29 lone 5 92 - 6 - HG12 ILE 83 - QD2 LEU 29 lone 5 77 - 7 - Peak 10842 from cnoeabs.peaks (1.66, 0.91, 23.00 ppm; 3.74 A): 6 out of 13 assignments used, quality = 0.81: HB2 LYS 114 + QD2 LEU 29 OK 39 94 - 41 - 10843/2.1=7, 3749/3.2=5...(16) HB2 MET 68 + QD2 LEU 29 OK 31 99 - 32 - ~11531=7, 11529/8066=7...(9) HB2 PRO 57 + QD2 LEU 29 OK 26 92 - 28 - 10843/2.1=5, 2.3/373=3...(12) HG13 ILE 136 + QD2 LEU 29 OK 18 99 - 18 - ~9672=5, 10843/2.1=4...(6) HD3 LYS 93 + QD2 LEU 29 OK 15 94 - 15 - 10843/2.1=3, 3.0/373=1 HB VAL 71 + QD2 LEU 29 OK 13 92 - 15 - 10843/2.1=3, ~9896=3...(5) HG2 ARG 124 - QD2 LEU 29 lone 8 98 - 8 - 10843/2.1=1, ~10534=1, ~10679=1 HD2 LYS 48 - QD2 LEU 29 lone 4 92 - 5 - HD3 LYS 48 - QD2 LEU 29 lone 2 62 - 4 - HG2 ARG 140 - QD2 LEU 29 lone 2 100 - 2 - HB2 LEU 95 - QD2 LEU 29 lone 2 92 - 2 - HG2 ARG 89 - QD2 LEU 29 lone 1 92 - 1 - HB2 ARG 145 - QD2 LEU 29 lone 1 81 - 1 - Peak 10843 from cnoeabs.peaks (1.65, 0.96, 25.10 ppm; 3.99 A): 6 out of 12 assignments used, quality = 0.88: HB2 LYS 114 + QD1 LEU 29 OK 43 100 - 43 - 10842/2.1=9, 3749/3.1=7...(13) HB2 MET 68 + QD1 LEU 29 OK 41 92 - 45 - 2.9/11531=11...(8) HB2 PRO 57 + QD1 LEU 29 OK 31 99 - 31 - 10842/2.1=6, 1517/3.1=3...(12) HG13 ILE 136 + QD1 LEU 29 OK 23 100 - 23 - ~9672=6, 10842/2.1=4...(8) HB VAL 71 + QD1 LEU 29 OK 20 77 - 26 - 4.6/8071=13, 10842/2.1=3...(5) HD3 LYS 93 + QD1 LEU 29 OK 18 100 - 18 - 10842/2.1=3, 3.0/381=2 HG2 ARG 124 - QD1 LEU 29 poor 10 89 - 11 - 10842/2.1=2, ~10534=1...(4) HD2 LYS 48 - QD1 LEU 29 lone 5 77 - 6 - 10842/2.1=1 HG2 ARG 140 - QD1 LEU 29 lone 3 100 - 3 - HB2 LEU 95 - QD1 LEU 29 lone 3 77 - 4 - HG2 ARG 89 - QD1 LEU 29 lone 2 77 - 2 - HB2 ARG 145 - QD1 LEU 29 lone 1 62 - 2 - Peak 10844 from cnoeabs.peaks (2.38, 0.96, 25.10 ppm; 4.59 A): 3 out of 7 assignments used, quality = 0.95: HG2 GLN 25 + QD1 LEU 29 OK 89 100 - 89 - 9778=32, 10532/2.1=32...(24) HG3 MET 11 + QD1 LEU 29 OK 38 85 - 45 - 3.3/10601=16, 9778=12...(6) HG2 MET 46 + QD1 LEU 29 OK 28 100 - 28 - ~10493=10, 4.1/10501=5...(6) HB ILE 91 - QD1 LEU 29 OK 24 100 - 24 - 223/9778=2, 2957/2.1=2...(9) HG3 GLU 37 - QD1 LEU 29 lone 9 100 - 9 - 10532/2.1=2, 9778=2, 9799/8060=1 HG2 MET 59 - QD1 LEU 29 lone 7 100 - 7 - 223/9778=1, ~11515=1 HG3 MET 59 - QD1 LEU 29 lone 7 100 - 7 - 223/9778=1, ~11515=1 Peak 10847 from cnoeabs.peaks (2.43, 3.94, 58.31 ppm; 4.58 A): 6 out of 9 assignments used, quality = 0.77: HG2 GLN 133 + HA LEU 29 OK 34 77 - 44 - 2.9/343=8, 2.9/343=7...(13) HG3 GLN 133 + HA LEU 29 OK 32 72 - 44 - 2.9/343=8, 2.9/343=7...(13) HG3 GLU 131 + HA LEU 29 OK 22 92 - 23 - 9561/2.9=6, ~10531=6...(6) HB3 PRO 33 + HA LEU 29 OK 15 100 - 15 - ~9792=4, ~10850=3...(5) HB3 PRO 118 + HA LEU 29 OK 12 62 - 20 - ~10850=4, ~10849=4...(6) HG2 MET 68 + HA LEU 29 OK 10 100 - 10 - 8418/3.6=4, 9915/4.0=3 HG2 GLN 47 - HA LEU 29 lone 4 92 - 5 - HG3 GLN 47 - HA LEU 29 lone 4 92 - 5 - HG2 MET 11 - HA LEU 29 lone 3 94 - 3 - 9915/4.0=1 Peak 10848 from cnoeabs.peaks (3.01, 3.94, 58.31 ppm; 6.36 A): 3 out of 3 assignments used, quality = 0.73: HD3 ARG 35 + HA LEU 29 OK 59 92 - 64 - ~10882=19, 8057/3.0=14...(9) HE3 LYS 36 + HA LEU 29 OK 20 94 - 21 - ~8057=8, 8063/4.0=5...(4) HE2 LYS 36 + HA LEU 29 OK 20 92 - 21 - ~8057=8, 8057/3.0=5...(4) Peak 10851 from cnoeabs.peaks (4.06, 0.91, 23.00 ppm; 3.34 A): 5 out of 5 assignments used, quality = 0.68: HA LEU 26 + QD2 LEU 29 OK 32 85 - 38 - 2.9/10867=7, 8060/2.1=5...(12) HD3 PRO 118 + QD2 LEU 29 OK 28 99 - 28 - 3.0/8066=4, 2.3/375=4...(11) HA LYS 34 + QD2 LEU 29 OK 15 72 - 21 - 3.6/378=5, 8060/2.1=4...(6) HA LYS 24 + QD2 LEU 29 OK 14 100 - 14 - 9777/2.1=3, 10850/4.9=2...(4) HD2 PRO 33 + QD2 LEU 29 OK 12 89 - 13 - 9777/2.1=2, ~9792=2...(4) Peak 10852 from cnoeabs.peaks (6.91, 2.22, 29.57 ppm; 5.86 A): 1 out of 4 assignments used, quality = 1.00: H LEU 29 + HB2 GLU 28 OK 100 100 - 100 - 4.3=100 HE21 GLN 25 - HB2 GLU 28 OK 16 68 - 24 - 5.5/8052=21, 10936/9868=3 HE21 GLN 22 - HB2 GLU 28 OK 13 94 - 14 - 6113/4.0=5, 324/1.8=4 HD2 HIS 14 - HB2 GLU 28 poor 9 85 - 11 - 6113/4.0=4, 10854/3.0=3 Peak 10854 from cnoeabs.peaks (6.91, 2.45, 36.00 ppm; 5.81 A): 1 out of 3 assignments used, quality = 0.84: H LEU 29 + HG3 GLU 28 OK 84 100 - 84 - 3.6/309=37, 6113/4.9=33...(9) HE21 GLN 22 - HG3 GLU 28 poor 9 77 - 12 - 6113/4.9=4, 10852/3.0=3 HD2 HIS 14 - HG3 GLU 28 poor 9 62 - 14 - 4.0/8049=5, 6113/4.9=3...(4) Peak 10855 from cnoeabs.peaks (7.81, 2.45, 36.00 ppm; 5.04 A): 3 out of 5 assignments used, quality = 0.87: H TYR 27 + HG3 GLU 28 OK 77 94 - 82 - 3.1/332=29, ~325=21...(12) H LEU 26 + HG3 GLU 28 OK 30 68 - 44 - 3.6/8053=24...(5) H GLY 94 + HG3 GLU 28 OK 17 100 - 17 - 4.7/335=4, 7100/3.0=3...(7) H SER 44 - HG3 GLU 28 lone 4 100 - 4 - 6102/4.9=1 H THR 110 - HG3 GLU 28 lone 3 85 - 3 - Peak 10860 from cnoeabs.peaks (4.03, 1.86, 29.57 ppm; 4.08 A): 4 out of 4 assignments used, quality = 0.70: HA GLN 25 + HB3 GLU 28 OK 44 92 - 48 - 8052/1.8=21, 8053/3.0=17...(4) HA VAL 63 + HB3 GLU 28 OK 29 89 - 32 - ~9868=12, 8052/1.8=10...(5) HA GLU 81 + HB3 GLU 28 OK 15 72 - 20 - 8052/1.8=7, ~11300=7, 8053/3.0=5 HA GLU 37 + HB3 GLU 28 OK 13 68 - 18 - 8052/1.8=6, 8053/3.0=5...(5) Peak 10861 from cnoeabs.peaks (3.06, 2.45, 36.00 ppm; 5.78 A): 3 out of 8 assignments used, quality = 0.68: HB2 TYR 27 + HG3 GLU 28 OK 53 100 - 53 - 4.7/332=26, 3.9/10855=21...(5) HE2 LYS 34 + HG3 GLU 28 OK 18 99 - 18 - 3.7/10863=6, ~10808=5...(5) HE3 LYS 34 + HG3 GLU 28 OK 18 100 - 18 - 3.7/10863=6, ~10808=5...(5) HB3 ASP 30 - HG3 GLU 28 lone 7 89 - 8 - 6104/4.9=6, 6096/10855=1 HE3 LYS 86 - HG3 GLU 28 lone 6 98 - 6 - 6104/4.9=3 HE2 LYS 86 - HG3 GLU 28 lone 6 96 - 6 - 6104/4.9=3 HB3 TRP 88 - HG3 GLU 28 lone 5 89 - 6 - 6104/4.9=2, 10641/8054=2 HB2 HIS 10 - HG3 GLU 28 lone 4 94 - 4 - Peak 10862 from cnoeabs.peaks (1.30, 2.45, 36.00 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.67: HG3 LYS 24 + HG3 GLU 28 OK 59 100 - 59 - 1.8/10893=30...(7) HG LEU 87 + HG3 GLU 28 OK 19 100 - 19 - 3.0/10542=5...(9) HG LEU 79 - HG3 GLU 28 lone 4 96 - 4 - 10907/10893=1 HG12 ILE 83 - HG3 GLU 28 lone 4 100 - 4 - HG13 ILE 58 - HG3 GLU 28 lone 1 77 - 2 - Peak 10863 from cnoeabs.peaks (1.63, 2.45, 36.00 ppm; 5.23 A): 3 out of 5 assignments used, quality = 0.81: HD2 LYS 24 + HG3 GLU 28 OK 62 100 - 62 - 3.0/10893=29...(8) HB3 LEU 26 + HG3 GLU 28 OK 37 99 - 38 - 4.6/10855=16...(4) HG3 LYS 34 + HG3 GLU 28 OK 21 100 - 22 - 3.7/10540=4, 3.7/10861=4...(8) HG3 ARG 144 - HG3 GLU 28 lone 3 62 - 4 - HB3 LEU 64 - HG3 GLU 28 lone 2 62 - 3 - Peak 10864 from cnoeabs.peaks (0.94, 4.07, 57.28 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.53: HG3 ARG 35 + HA LEU 26 OK 39 62 - 63 - 10866/2.9=18, 1.8/241=8...(21) QG2 THR 51 + HA LEU 26 OK 12 68 - 18 - 10866/2.9=6, 11187/3.6=3...(6) HG3 ARG 35 + HA LYS 34 OK 11 57 - 19 - ~8093=6, 6188/3.6=5...(6) QG2 THR 51 - HA LYS 34 lone 4 61 - 7 - 6188/3.6=2, 2.1/8209=1 Peak 10865 from cnoeabs.peaks (0.90, 4.07, 57.28 ppm; 3.36 A): 8 out of 10 assignments used, quality = 0.92: QG1 VAL 63 + HA LEU 26 OK 45 96 - 47 - 2.1/10544=11...(11) QG2 VAL 80 + HA LEU 26 OK 37 94 - 40 - 8748=11, 9948/3.0=6...(8) QG1 VAL 53 + HA LEU 26 OK 33 98 - 33 - 8239/2.9=8, 8239/3.6=6...(9) QD2 LEU 29 + HA LEU 26 OK 27 68 - 40 - 2.1/8060=8, 2.1/9769=7...(9) QG1 VAL 53 + HA LYS 34 OK 23 93 - 25 - 2.1/10581=8, 1392=4...(6) QD1 ILE 101 + HA LYS 34 OK 18 57 - 31 - 9180/3.0=7, 2.1/486=5...(12) QG2 VAL 80 + HA LYS 34 OK 16 88 - 18 - 8748=4, 9948/4.0=3...(5) QD2 LEU 29 + HA LYS 34 OK 14 61 - 24 - 2.1/8060=5, 2.1/10917=5...(6) QG1 VAL 63 - HA LYS 34 lone 6 91 - 7 - QD1 ILE 101 - HA LEU 26 lone 5 62 - 7 - 10908/3.8=1 Peak 10870 from cnoeabs.peaks (0.69, 4.07, 57.28 ppm; 5.02 A): 0 out of 2 assignments used, low quality = 0.00: HB3 LEU 116 - HA LEU 26 poor 8 62 - 13 - 10571/3.8=5, ~10231=3, ~1271=1 HB3 LEU 116 - HA LYS 34 lone 2 57 - 4 - ~10797=1 Peak 10871 from cnoeabs.peaks (0.59, 4.07, 57.28 ppm; 3.71 A): 5 out of 8 assignments used, quality = 0.85: QD1 ILE 56 + HA LEU 26 OK 57 99 - 58 - 10595/3.8=22...(13) QD1 LEU 132 + HA LEU 26 OK 39 96 - 40 - 4511=6, 10577/4.0=6...(14) QD1 LEU 132 + HA LYS 34 OK 20 91 - 22 - 4511=4, 2.1/4503=3...(9) QG2 ILE 58 + HA LEU 26 OK 20 62 - 32 - 10572/3.8=13, 2.1/8282=4...(8) QD1 ILE 56 + HA LYS 34 OK 13 94 - 14 - 1480/3.0=2, 10595/241=2 QG1 VAL 71 - HA LEU 26 poor 8 81 - 10 - 10577/4.0=3, 10911/3.8=1 QG1 VAL 71 - HA LYS 34 lone 4 75 - 6 - QG2 ILE 58 - HA LYS 34 lone 3 57 - 6 - 10572/241=1, 10024/10031=1 Peak 10872 from cnoeabs.peaks (0.02, 4.07, 57.28 ppm; 6.29 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 39 + HA LEU 26 OK 99 100 - 99 - 10869/2.9=46...(18) QD1 LEU 39 + HA LYS 34 OK 59 96 - 61 - 8133/3.6=20, ~8120=15...(15) Peak 10873 from cnoeabs.peaks (0.92, 2.07, 41.95 ppm; 5.89 A): 3 out of 5 assignments used, quality = 0.99: QG2 VAL 63 + HB2 LEU 26 OK 85 99 - 86 - 10575/3.2=22, ~11455=20...(15) HB2 LEU 108 + HB2 LEU 26 OK 78 96 - 81 - 1.8/248=16, 10906/3.2=15...(23) QD2 LEU 29 + HB2 LEU 26 OK 63 92 - 69 - 10851/3.0=14, ~8060=10...(13) HB2 LEU 64 - HB2 LEU 26 OK 31 99 - 31 - 10569/3.1=7, ~10900=5...(9) QG2 ILE 91 - HB2 LEU 26 OK 30 99 - 30 - ~10573=8, 10575/3.2=6...(7) Peak 10874 from cnoeabs.peaks (0.03, 2.07, 41.95 ppm; 6.70 A): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 39 + HB2 LEU 26 OK 76 77 - 99 - 10578/3.2=44...(19) Peak 10875 from cnoeabs.peaks (7.65, 1.18, 24.43 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.82: H LEU 66 + QD1 LEU 26 OK 58 81 - 71 - 3.6/10902=17, 8379=15...(16) H LEU 97 + QD1 LEU 26 OK 57 100 - 57 - 10548=29, 10558/2.1=18...(9) H GLY 50 - QD1 LEU 26 lone 9 98 - 9 - 10878/2.1=2, 3209/2.1=1 H GLU 122 - QD1 LEU 26 poor 7 72 - 10 - 5.2/9456=3, 9460/2.1=1 HD21 ASN 130 - QD1 LEU 26 lone 2 92 - 2 - Peak 10876 from cnoeabs.peaks (7.30, 1.18, 24.43 ppm; 4.08 A): 4 out of 4 assignments used, quality = 0.84: H ARG 35 + QD1 LEU 26 OK 60 92 - 65 - 6187/2.1=11, 4.5/273=10...(18) H PHE 67 + QD1 LEU 26 OK 41 77 - 53 - 10549=15, 3.6/10561=11...(13) QD TYR 115 + QD1 LEU 26 OK 25 100 - 25 - 10549=6, 1913/10577=3...(10) H ASP 30 + QD1 LEU 26 OK 12 98 - 12 - 4.8/10906=3, 492/4.0=2...(5) Peak 10877 from cnoeabs.peaks (6.79, 1.18, 24.43 ppm; 4.17 A): 0 out of 3 assignments used, low quality = 0.42: H LYS 76 - QD1 LEU 26 OK 28 99 - 28 - 10552=17, 4.4/10584=3...(4) QE TYR 112 - QD1 LEU 26 OK 19 99 - 19 - 2.2/10551=9, ~10882=4...(4) HZ3 TRP 17 - QD1 LEU 26 lone 4 68 - 6 - 8130/10576=3, ~10881=1, ~10880=1 Peak 10878 from cnoeabs.peaks (7.66, 1.08, 26.57 ppm; 4.08 A): 6 out of 8 assignments used, quality = 0.90: H LEU 97 + QD2 LEU 26 OK 59 100 - 60 - 10548/2.1=35...(9) H LEU 66 + QD2 LEU 26 OK 50 62 - 80 - 3.6/10818=25...(13) H LEU 66 + HG2 ARG 35 OK 25 52 - 48 - 4.8/11466=9, 3.6/11188=9...(11) H GLY 50 + HG2 ARG 35 OK 16 92 - 17 - 8192/1.8=7, ~10657=3...(5) H GLY 50 + QD2 LEU 26 OK 14 100 - 14 - 10875/2.1=3, 2.9/10563=2...(5) H LEU 97 + HG2 ARG 35 OK 13 91 - 14 - 10548/273=6, 11422/2.9=3...(4) HD21 ASN 130 - QD2 LEU 26 lone 2 77 - 2 - HD21 ASN 130 - HG2 ARG 35 lone 1 65 - 1 - Peak 10880 from cnoeabs.peaks (7.21, 1.08, 26.57 ppm; 4.94 A): 7 out of 10 assignments used, quality = 0.89: H GLU 37 + HG2 ARG 35 OK 43 77 - 56 - 6192/4.5=24, 6215/3.9=18...(5) QD TYR 27 + QD2 LEU 26 OK 33 98 - 34 - 4.6/6094=13, 10889/3.8=8...(5) H GLU 37 + QD2 LEU 26 OK 27 89 - 30 - 3.9/6198=10, 6192/6187=5...(7) QD TYR 27 + HG2 ARG 35 OK 26 87 - 30 - 4.6/6094=12, ~11182=5...(6) HE3 TRP 88 + HG2 ARG 35 OK 24 85 - 28 - 11066=17, 5.1/8929=3...(6) HE3 TRP 88 + QD2 LEU 26 OK 22 96 - 23 - 11066=12, 10889/3.8=3...(5) HE3 TRP 17 + QD2 LEU 26 OK 12 81 - 14 - 2.5/10962=4, ~10877=2...(5) HE3 TRP 17 - HG2 ARG 35 lone 5 69 - 8 - 6192/4.5=2, 5.0/11629=2 QD PHE 45 - HG2 ARG 35 lone 3 52 - 5 - 6192/4.5=2 QD PHE 45 - QD2 LEU 26 lone 2 62 - 3 - Peak 10881 from cnoeabs.peaks (6.98, 1.08, 26.57 ppm; 3.85 A): 3 out of 8 assignments used, quality = 0.65: QE PHE 43 + QD2 LEU 26 OK 41 77 - 53 - 2.2/10883=30, ~10598=11...(9) HZ PHE 67 + QD2 LEU 26 OK 28 68 - 41 - 2.2/10556=32...(7) HD2 HIS 10 + QD2 LEU 26 OK 19 96 - 20 - 10555=11, 10551/2.1=4 QE PHE 43 - HG2 ARG 35 poor 9 65 - 13 - 2.2/10883=6, 9802/3.9=3 HH2 TRP 17 - QD2 LEU 26 lone 7 77 - 9 - 2.4/10962=2, 2.5/11629=2...(4) HZ PHE 67 - HG2 ARG 35 lone 4 57 - 7 - ~11167=2, 7.8/11629=2 HD2 HIS 10 - HG2 ARG 35 lone 3 85 - 4 - HH2 TRP 17 - HG2 ARG 35 lone 2 65 - 3 - 2.5/11629=2 Peak 10882 from cnoeabs.peaks (6.92, 1.08, 26.57 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.51: H LEU 29 + HG2 ARG 35 OK 35 83 - 43 - 8057/3.0=13, 6126/1.8=12...(8) H LEU 29 + QD2 LEU 26 OK 15 94 - 16 - 4.9/10569=5, 4.6/10570=4...(5) QD TYR 112 + QD2 LEU 26 OK 11 77 - 14 - ~10877=9, 10551/2.1=3 QD TYR 112 - HG2 ARG 35 lone 2 65 - 3 - 8047/6094=1 Peak 10883 from cnoeabs.peaks (6.73, 1.08, 26.57 ppm; 3.67 A): 0 out of 2 assignments used, low quality = 0.25: HZ PHE 43 - QD2 LEU 26 OK 25 62 - 41 - 2.2/10881=11...(9) HZ PHE 43 - HG2 ARG 35 lone 5 52 - 9 - 8130/8121=3, 2.2/10881=2...(4) Peak 10889 from cnoeabs.peaks (7.21, 4.07, 57.28 ppm; 3.76 A): 5 out of 10 assignments used, quality = 0.78: H GLU 37 + HA LYS 34 OK 46 82 - 56 - 6192/3.6=19, 8094/3.0=15...(9) QD TYR 27 + HA LEU 26 OK 31 98 - 31 - 6098/3.6=14, 2.6/10567=5...(7) QD TYR 27 + HA LYS 34 OK 19 93 - 21 - 8094/3.0=4, 11170/4.0=3...(5) H GLU 37 + HA LEU 26 OK 17 89 - 20 - 6098/3.6=3, 6192/6175=2...(7) HE3 TRP 88 + HA LEU 26 OK 13 96 - 13 - 11066/3.8=5, 6098/3.6=3 HE3 TRP 17 - HA LYS 34 lone 7 75 - 9 - 8094/3.0=5, 6192/3.6=2 HE3 TRP 88 - HA LYS 34 lone 5 91 - 5 - 6191/3.6=1 QD PHE 45 - HA LYS 34 lone 4 57 - 6 - 8094/3.0=2, 6192/3.6=1 HE3 TRP 17 - HA LEU 26 lone 3 81 - 4 - QD PHE 45 - HA LEU 26 lone 1 62 - 2 - Peak 10890 from cnoeabs.peaks (6.94, 4.07, 57.28 ppm; 4.57 A): 3 out of 6 assignments used, quality = 0.57: QD PHE 23 + HA LEU 26 OK 41 100 - 42 - 8047/3.6=17...(5) QD TYR 112 + HA LEU 26 OK 15 85 - 18 - 8047/3.6=9, 10551/4.0=8 QD PHE 23 + HA LYS 34 OK 13 96 - 13 - 8098/3.0=6, 10555/241=2...(6) HD21 ASN 139 - HA LYS 34 lone 4 82 - 5 - 8095/3.0=3 QD TYR 112 - HA LYS 34 lone 3 79 - 3 - HD21 ASN 139 - HA LEU 26 lone 2 89 - 2 - Peak 10897 from cnoeabs.peaks (8.28, 1.08, 26.57 ppm; 5.64 A): 4 out of 10 assignments used, quality = 0.92: H LEU 64 + QD2 LEU 26 OK 54 94 - 57 - 11709/3.1=17...(8) H LEU 39 + QD2 LEU 26 OK 52 77 - 67 - 4.3/10574=41...(11) H LEU 39 + HG2 ARG 35 OK 42 65 - 64 - 4.3/10912=18...(15) H GLN 25 + QD2 LEU 26 OK 41 89 - 46 - 4.7/6085=21, 2.9/276=7...(10) H GLN 25 - HG2 ARG 35 OK 20 77 - 26 - 4.7/6085=17, 11626/4.5=3...(6) H VAL 71 - QD2 LEU 26 OK 16 68 - 24 - 11709/3.1=6, 4.0/10911=3...(8) H LEU 64 - HG2 ARG 35 OK 13 83 - 15 - 11709/257=3, 4.3/616=3...(5) H GLY 143 - QD2 LEU 26 lone 5 68 - 7 - 10895/5.0=1 H VAL 71 - HG2 ARG 35 lone 3 57 - 6 - 11709/257=1 H GLY 143 - HG2 ARG 35 lone 3 57 - 6 - 11626/4.5=1 Peak 10898 from cnoeabs.peaks (6.65, 1.08, 26.57 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.00: HE22 GLN 111 - HG2 ARG 35 lone 7 92 - 8 - 11524/9900=3, 10988=1...(4) HE22 GLN 111 - QD2 LEU 26 lone 7 100 - 7 - 11524/10910=3, 4.6/10919=2 Peak 10899 from cnoeabs.peaks (3.82, 1.08, 26.57 ppm; 4.63 A): 3 out of 12 assignments used, quality = 0.93: HA LEU 66 + QD2 LEU 26 OK 82 98 - 84 - 2.8/11443=26...(14) HA LEU 66 + HG2 ARG 35 OK 52 87 - 60 - 3.7/11466=14...(13) HA THR 110 + QD2 LEU 26 OK 23 96 - 24 - ~274=3, ~267=2...(11) HD2 PRO 118 - QD2 LEU 26 OK 22 85 - 26 - ~268=3, ~252=2...(10) HA3 GLY 50 - HG2 ARG 35 OK 18 91 - 20 - ~8192=5, 10656/1.8=5...(4) HA3 GLY 50 - QD2 LEU 26 OK 15 100 - 15 - 2.9/10878=3...(4) HA GLN 133 - QD2 LEU 26 OK 13 68 - 20 - 10561/2.1=6, 4.9/276=2...(5) HA THR 110 - HG2 ARG 35 OK 12 85 - 15 - ~10452=2, ~9290=1, ~9290=1 HA GLN 133 - HG2 ARG 35 lone 6 57 - 10 - 10849/10882=2, 10561/273=1 HB2 SER 100 - QD2 LEU 26 lone 6 77 - 7 - 10561/2.1=1 HD2 PRO 118 - HG2 ARG 35 lone 5 73 - 7 - 10849/10882=1 HB2 SER 100 - HG2 ARG 35 lone 3 65 - 5 - 10849/10882=1 Peak 10900 from cnoeabs.peaks (4.17, 1.08, 26.57 ppm; 4.99 A): 7 out of 16 assignments used, quality = 0.83: HA LEU 64 + QD2 LEU 26 OK 35 100 - 35 - ~11709=9, 3.0/10569=7...(10) HA PHE 38 + HG2 ARG 35 OK 28 92 - 31 - ~9785=10, ~9786=10...(6) HA PHE 38 + QD2 LEU 26 OK 21 100 - 21 - 3.6/10897=5, 4.7/9782=4...(6) HA TRP 88 + HG2 ARG 35 OK 20 91 - 22 - 5.1/11066=11, 8929=5 HA TRP 88 + QD2 LEU 26 OK 17 100 - 17 - 5.1/11066=8, 8930/10573=1 HB3 SER 44 + QD2 LEU 26 OK 17 92 - 18 - 8167/2.1=5, ~8167=4...(5) HB2 SER 44 + QD2 LEU 26 OK 16 92 - 18 - 8167/2.1=5, ~8167=4...(5) HA LEU 64 - HG2 ARG 35 lone 9 90 - 10 - ~10988=2, ~11517=2...(4) HA GLU 120 - QD2 LEU 26 lone 3 98 - 3 - HB3 SER 44 - HG2 ARG 35 lone 3 80 - 3 - HB2 SER 44 - HG2 ARG 35 lone 3 80 - 3 - HA GLU 120 - HG2 ARG 35 lone 3 87 - 3 - HG1 THR 74 - QD2 LEU 26 lone 2 100 - 2 - HG1 THR 74 - HG2 ARG 35 lone 2 91 - 2 - HA3 GLY 125 - QD2 LEU 26 lone 1 68 - 2 - HA3 GLY 125 - HG2 ARG 35 lone 1 57 - 1 - Peak 10901 from cnoeabs.peaks (4.35, 1.08, 26.57 ppm; 3.93 A): 4 out of 8 assignments used, quality = 0.92: HA ASP 65 + QD2 LEU 26 OK 78 100 - 78 - 10818=40, 10902/2.1=29...(17) HA ASP 65 + HG2 ARG 35 OK 37 92 - 40 - 11188=13, 3.6/11443=9...(14) HB THR 51 + HG2 ARG 35 OK 24 77 - 31 - 2.1/616=7, 1316/1.8=5...(10) HB THR 51 + QD2 LEU 26 OK 21 89 - 24 - 10562/2.1=10...(4) HA ARG 144 - QD2 LEU 26 lone 5 94 - 5 - 10902/2.1=2 HA3 GLY 77 - QD2 LEU 26 lone 3 100 - 3 - HA ARG 144 - HG2 ARG 35 lone 2 83 - 2 - HA3 GLY 77 - HG2 ARG 35 lone 1 92 - 1 - Peak 10902 from cnoeabs.peaks (4.35, 1.18, 24.43 ppm; 3.41 A): 2 out of 4 assignments used, quality = 0.68: HA ASP 65 + QD1 LEU 26 OK 62 99 - 62 - 10818/2.1=23, 10562=23...(17) HB THR 51 + QD1 LEU 26 OK 18 72 - 25 - 10562=10, 10553/2.1=4...(7) HA ARG 144 - QD1 LEU 26 lone 5 81 - 6 - 10562=2, 10553/2.1=1 HA3 GLY 77 - QD1 LEU 26 lone 2 99 - 2 - Peak 10903 from cnoeabs.peaks (3.03, 1.08, 26.57 ppm; 5.59 A): 4 out of 10 assignments used, quality = 0.97: HB3 ASP 65 + QD2 LEU 26 OK 68 77 - 88 - 3.0/10818=44, ~10902=26...(16) HD3 ARG 35 + QD2 LEU 26 OK 58 68 - 86 - 3.0/624=20, ~273=15...(20) HD3 ARG 35 + HG2 ARG 35 OK 57 57 - 100 - 3.0=100 HB2 PHE 67 + QD2 LEU 26 OK 49 77 - 64 - 4.4/10556=38...(9) HE2 LYS 36 - HG2 ARG 35 OK 30 57 - 53 - 6.7/6198=11, 11671/4.5=8...(19) HB3 ASP 65 - HG2 ARG 35 OK 29 65 - 44 - 3.0/11188=15...(11) HE3 LYS 36 - HG2 ARG 35 OK 28 52 - 53 - 6.7/6198=11, 11671/4.5=8...(19) HB2 PHE 67 - HG2 ARG 35 OK 24 65 - 37 - ~10802=12, 3.7/11629=10...(11) HE2 LYS 36 - QD2 LEU 26 OK 12 68 - 17 - 6.7/6198=8, 8115/10574=3 HE3 LYS 36 - QD2 LEU 26 OK 11 62 - 17 - 6.7/6198=8, 8115/10574=2 Peak 10904 from cnoeabs.peaks (3.04, 1.18, 24.43 ppm; 5.72 A): 2 out of 3 assignments used, quality = 0.96: HB3 ASP 65 + QD1 LEU 26 OK 93 99 - 94 - 3.0/10902=35, ~10818=34...(20) HB2 PHE 67 + QD1 LEU 26 OK 51 99 - 51 - 3.7/8408=18, 10843=12...(11) HB2 HIS 10 - QD1 LEU 26 OK 11 68 - 17 - 4.0/10551=7, 10564=4...(4) Peak 10905 from cnoeabs.peaks (0.03, 1.64, 41.95 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 39 + HB3 LEU 26 OK 94 98 - 96 - 10907/3.2=39...(17) Peak 10906 from cnoeabs.peaks (0.93, 1.18, 24.43 ppm; 3.01 A): 5 out of 5 assignments used, quality = 0.86: QG2 VAL 63 + QD1 LEU 26 OK 55 100 - 55 - 10575=22, ~11455=7...(14) HB2 LEU 108 + QD1 LEU 26 OK 45 100 - 45 - 10569/2.1=6, 3479=5...(18) QD2 LEU 29 + QD1 LEU 26 OK 20 77 - 25 - 2.1/8075=5, 10851/4.0=3...(10) QG2 ILE 91 + QD1 LEU 26 OK 17 100 - 17 - 10575=7, ~10573=2...(4) HB2 LEU 64 + QD1 LEU 26 OK 12 92 - 13 - 10569/2.1=4, ~10900=1 Peak 10907 from cnoeabs.peaks (0.03, 1.18, 24.43 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 39 + QD1 LEU 26 OK 92 98 - 94 - 10578=48, 10915/2.1=34...(20) Peak 10908 from cnoeabs.peaks (0.89, 1.08, 26.57 ppm; 2.94 A): 5 out of 10 assignments used, quality = 0.76: QD1 LEU 97 + QD2 LEU 26 OK 48 89 - 54 - 4.8/10558=8, 2.1/279=7...(24) QG2 VAL 80 + QD2 LEU 26 OK 34 99 - 35 - 10545/3.8=5, 9948/3.1=5...(10) QD1 ILE 101 + QD2 LEU 26 OK 12 99 - 12 - 10179/2.1=2...(3) QG2 ILE 136 + QD2 LEU 26 OK 11 94 - 12 - 9683/10595=3 QG2 ILE 101 + QD2 LEU 26 OK 10 94 - 11 - 8272/10572=1, 1462/2.1=1 QG2 VAL 80 - HG2 ARG 35 lone 7 89 - 7 - QG2 ILE 136 - HG2 ARG 35 lone 4 83 - 5 - QD1 LEU 97 - HG2 ARG 35 lone 3 77 - 4 - QG2 ILE 101 - HG2 ARG 35 lone 2 83 - 3 - QD1 ILE 101 - HG2 ARG 35 lone 2 89 - 3 - Peak 10909 from cnoeabs.peaks (0.95, 1.08, 26.57 ppm; 3.11 A): 6 out of 6 assignments used, quality = 0.93: HG3 ARG 35 + HG2 ARG 35 OK 65 65 - 100 - 1.8=100 HG3 ARG 35 + QD2 LEU 26 OK 50 77 - 65 - 10575/2.1=12...(24) QD1 LEU 29 + HG2 ARG 35 OK 24 61 - 39 - 4.6/10882=6, 616=5...(15) QD1 LEU 29 + QD2 LEU 26 OK 21 72 - 29 - 2.1/10569=6, 8075/2.1=4...(9) QG2 THR 51 + HG2 ARG 35 OK 19 69 - 27 - 616=6, 2.1/10901=3...(10) QG2 THR 51 + QD2 LEU 26 OK 19 81 - 23 - 2.1/10553=4, ~10562=3...(6) Peak 10910 from cnoeabs.peaks (0.66, 1.08, 26.57 ppm; 2.81 A): 4 out of 8 assignments used, quality = 0.95: QD2 LEU 39 + QD2 LEU 26 OK 71 100 - 71 - 2.1/10574=18...(21) QD2 LEU 66 + QD2 LEU 26 OK 57 99 - 57 - 2.1/11466=11...(17) QD2 LEU 39 + HG2 ARG 35 OK 39 90 - 43 - 2.1/10912=10, 8121=8...(14) QD2 LEU 66 + HG2 ARG 35 OK 37 89 - 41 - 9900=8, 2.1/11466=8...(14) QD1 ILE 83 - QD2 LEU 26 OK 19 85 - 22 - 10024/10572=6...(5) HB3 LEU 116 - HG2 ARG 35 OK 11 57 - 20 - ~624=2, 3.1/3888=2...(5) QD1 ILE 83 - HG2 ARG 35 poor 8 73 - 11 - 10005/2.9=1 HB3 LEU 116 - QD2 LEU 26 lone 6 68 - 9 - 10913/2.1=2 Peak 10911 from cnoeabs.peaks (0.58, 1.08, 26.57 ppm; 3.06 A): 6 out of 10 assignments used, quality = 0.94: QD1 LEU 66 + QD2 LEU 26 OK 67 96 - 70 - 2.1/10571=15...(19) QD1 LEU 66 + HG2 ARG 35 OK 41 85 - 48 - 10990/1.8=10...(14) QG2 ILE 58 + QD2 LEU 26 OK 31 99 - 32 - 1563/2.1=5, 8275/3.1=5...(11) QD1 ILE 56 + QD2 LEU 26 OK 27 62 - 44 - 10595=15, 2.1/280=6...(13) QD1 LEU 132 + QD2 LEU 26 OK 24 98 - 24 - 10577/2.1=6, 10547/3.8=4...(6) QG1 VAL 71 + QD2 LEU 26 OK 15 100 - 15 - 8527/10556=4...(3) QD1 LEU 132 - HG2 ARG 35 lone 7 87 - 8 - QG2 ILE 58 - HG2 ARG 35 lone 5 89 - 6 - QG1 VAL 71 - HG2 ARG 35 lone 5 92 - 5 - QD1 ILE 56 - HG2 ARG 35 lone 3 52 - 5 - 10595=2 Peak 10912 from cnoeabs.peaks (0.03, 1.08, 26.57 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.90: QD1 LEU 39 + QD2 LEU 26 OK 77 98 - 78 - 10907/2.1=23...(18) QD1 LEU 39 + HG2 ARG 35 OK 56 87 - 64 - 2.1/8121=10, 8111=10...(24) Peak 10913 from cnoeabs.peaks (0.67, 1.18, 24.43 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 39 + QD1 LEU 26 OK 80 99 - 81 - 10576=23, 2.1/10907=22...(20) QD2 LEU 66 + QD1 LEU 26 OK 68 100 - 69 - 10576=19, 2.1/10577=16...(16) QD1 ILE 83 + QD1 LEU 26 OK 33 100 - 33 - 10571/2.1=11, 10576=3...(10) HB3 LEU 116 - QD1 LEU 26 OK 16 94 - 17 - 10571/2.1=8, 3.1/10296=2...(5) Peak 10914 from cnoeabs.peaks (0.58, 1.18, 24.43 ppm; 3.88 A): 4 out of 5 assignments used, quality = 0.96: QD1 LEU 66 + QD1 LEU 26 OK 71 85 - 83 - 10577=27, 2.1/10576=16...(19) QG2 ILE 58 + QD1 LEU 26 OK 51 92 - 56 - 10572/2.1=32, 8275/3.2=7...(13) QD1 ILE 56 + QD1 LEU 26 OK 50 81 - 61 - 10595/2.1=26...(15) QD1 LEU 132 + QD1 LEU 26 OK 43 100 - 43 - 10577=14, 10547/4.0=7...(11) QG1 VAL 71 - QD1 LEU 26 OK 28 99 - 28 - 10577=7, 8529/10552=4...(8) Peak 10915 from cnoeabs.peaks (0.03, 1.69, 26.81 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.87: QD1 LEU 39 + HG LEU 26 OK 86 98 - 87 - 10907/2.1=32...(16) QD1 LEU 39 + HG LEU 97 OK 13 63 - 21 - 8113=5, 10907/271=3...(7) Peak 10917 from cnoeabs.peaks (2.15, 4.07, 57.19 ppm; 3.65 A): 5 out of 12 assignments used, quality = 0.77: HG LEU 29 + HA LEU 26 OK 42 91 - 47 - 9769=11, 2.1/8060=9...(10) HB2 GLN 25 + HA LEU 26 OK 30 57 - 53 - 6074/2.9=9, 2.9/9775=9...(14) HG LEU 29 + HA LYS 34 OK 27 96 - 27 - 9769=7, 2.1/8060=6...(7) HG3 PRO 118 + HA LYS 34 OK 14 68 - 20 - 1.8/3970=3, ~6161=2...(9) HG3 PRO 118 + HA LEU 26 OK 10 61 - 17 - 1.8/3970=2, 2.3/3930=2...(6) HB2 GLN 25 - HA LYS 34 poor 8 62 - 13 - 4.6/6080=3, 2.9/9775=2...(6) HB3 GLN 133 - HA LEU 26 lone 6 88 - 7 - 4.0/7678=2, 4.5/7713=1 HB3 GLN 133 - HA LYS 34 lone 6 94 - 6 - 4.0/7678=2, 4.5/7713=1 HB2 GLN 133 - HA LEU 26 lone 6 86 - 7 - 4.0/7678=2, 4.5/7713=1 HB2 GLN 133 - HA LYS 34 lone 5 92 - 6 - 4.0/7678=2, 4.5/7713=1 HG2 GLU 81 - HA LEU 26 lone 1 75 - 1 - HG2 GLU 81 - HA LYS 34 lone 1 81 - 1 - Peak 10918 from cnoeabs.peaks (2.24, 4.07, 57.19 ppm; 4.08 A): 0 out of 4 assignments used, low quality = 0.44: HG2 GLU 37 - HA LYS 34 OK 44 96 - 45 - 1.8/9799=18, 3.0/10766=8...(10) HG2 GLU 37 - HA LEU 26 lone 6 91 - 6 - 4.4/10889=3 HG2 MET 113 - HA LYS 34 lone 3 72 - 4 - HG2 MET 113 - HA LEU 26 lone 2 66 - 3 - Peak 10919 from cnoeabs.peaks (1.99, 1.08, 26.57 ppm; 4.07 A): 9 out of 18 assignments used, quality = 0.89: HB VAL 63 + QD2 LEU 26 OK 61 100 - 61 - ~11455=13, ~10575=13...(11) QE MET 113 + QD2 LEU 26 OK 28 100 - 28 - 11045/10571=7...(9) HG3 PRO 52 + HG2 ARG 35 OK 17 77 - 22 - ~8233=4, ~8232=4...(8) HG3 GLU 122 + QD2 LEU 26 OK 14 77 - 19 - 9456/2.1=3, 1.8/277=2...(9) HB2 GLN 111 + QD2 LEU 26 OK 14 98 - 15 - 4.6/10898=9, 1480/10595=1 QE MET 59 + QD2 LEU 26 OK 11 100 - 11 - 10409/10595=3...(3) HB2 GLN 111 + HG2 ARG 35 OK 11 87 - 12 - 4.6/10898=9 HB VAL 63 + HG2 ARG 35 OK 11 91 - 12 - 2.1/616=3, 1796/1.8=2...(5) QE MET 113 + HG2 ARG 35 OK 10 92 - 11 - 11045/9900=3, 9329/10911=1 QE MET 11 - HG2 ARG 35 poor 9 73 - 12 - 10600=5, 10601/1.8=4 HB3 GLU 90 - QD2 LEU 26 poor 9 72 - 12 - ~10972=3, 3.0/276=1...(5) QE MET 11 - QD2 LEU 26 lone 8 85 - 9 - 9129/10908=1, ~10568=1...(4) QE MET 59 - HG2 ARG 35 lone 5 90 - 5 - 1636/2.9=1 HB2 GLU 142 - QD2 LEU 26 lone 4 92 - 4 - HG3 PRO 52 - QD2 LEU 26 lone 4 89 - 4 - HG3 GLU 122 - HG2 ARG 35 lone 2 65 - 2 - HB3 GLU 90 - HG2 ARG 35 lone 1 61 - 2 - HB2 GLU 142 - HG2 ARG 35 lone 1 80 - 1 - Peak 10926 from cnoeabs.peaks (8.27, 4.04, 58.58 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 25 + HA GLN 25 OK 100 100 - 100 - 2.9=100 H LEU 39 - HA GLN 25 OK 19 100 - 19 - 10895/3.6=4...(7) H ASP 32 - HA GLN 25 OK 16 72 - 21 - 4.8/439=5, 3.0/423=5...(5) H GLY 143 - HA GLN 25 lone 10 98 - 10 - 10927/2.9=2, 7867/2.9=2 Peak 10927 from cnoeabs.peaks (8.27, 2.17, 28.45 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: H GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 4.0=100 H ASP 32 - HB2 GLN 25 OK 19 77 - 25 - 4.8/203=11, 10926/2.9=4...(6) H LEU 39 - HB2 GLN 25 OK 15 100 - 15 - 10926/2.9=5, 10895/4.6=4...(4) H GLY 143 - HB2 GLN 25 OK 14 99 - 14 - 7867/1.8=3, 10926/2.9=3 Peak 10928 from cnoeabs.peaks (8.28, 2.10, 28.45 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.96: H GLN 25 + HB3 GLN 25 OK 96 96 - 100 - 4.0=100 H LEU 64 - HB3 GLN 25 OK 32 85 - 37 - 4.3/9829=12, 10929/2.9=8...(7) H LEU 39 - HB3 GLN 25 OK 14 89 - 16 - 10926/2.9=4, 10895/4.6=4...(5) H GLY 143 - HB3 GLN 25 OK 13 81 - 15 - 10927/1.8=3, 7867=3...(5) Peak 10929 from cnoeabs.peaks (8.29, 2.38, 33.89 ppm; 4.49 A): 3 out of 4 assignments used, quality = 0.83: H GLN 25 + HG2 GLN 25 OK 64 67 - 96 - 4.9=77, 2.9/198=30...(14) H LEU 64 + HG2 GLN 25 OK 43 100 - 43 - 4.4/8361=22...(6) H VAL 71 + HG2 GLN 25 OK 18 88 - 21 - ~11697=10, 10930/1.8=5...(4) H THR 18 - HG2 GLN 25 lone 3 67 - 5 - 1802/8361=1, 4.7/226=1 Peak 10930 from cnoeabs.peaks (8.29, 2.40, 33.89 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.83: H GLN 25 + HG3 GLN 25 OK 66 68 - 97 - 4.9=83, 2.9/227=24...(14) H LEU 64 + HG3 GLN 25 OK 40 100 - 40 - 10929/1.8=14...(8) H VAL 71 + HG3 GLN 25 OK 19 89 - 21 - ~11697=11, 10929/1.8=6...(4) H THR 18 - HG3 GLN 25 lone 3 68 - 5 - 4.7/234=1, 10929/1.8=1 Peak 10931 from cnoeabs.peaks (7.51, 2.40, 33.89 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.92: HE22 GLN 25 + HG3 GLN 25 OK 92 92 - 100 - 3.5=100 HE ARG 49 - HG3 GLN 25 poor 8 68 - 11 - 11461/2.9=2, 201/3.9=2...(5) Peak 10932 from cnoeabs.peaks (6.89, 2.38, 33.89 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: HE21 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 3.5=100 HE21 GLN 22 - HG2 GLN 25 OK 14 94 - 14 - ~11284=5, 200/3.9=3...(6) HD2 HIS 14 - HG2 GLN 25 lone 7 99 - 7 - 10594/46=2, 200/3.9=2 HE21 GLN 111 - HG2 GLN 25 lone 5 91 - 6 - 200/3.9=1, 9836/8361=1 HE22 GLN 47 - HG2 GLN 25 lone 4 67 - 5 - HZ PHE 23 - HG2 GLN 25 lone 3 72 - 4 - Peak 10937 from cnoeabs.peaks (0.92, 2.40, 33.89 ppm; 3.29 A): 4 out of 7 assignments used, quality = 0.97: QG2 VAL 63 + HG3 GLN 25 OK 65 94 - 69 - ~8361=13, 8360=11...(17) QD2 LEU 29 + HG3 GLN 25 OK 65 98 - 66 - 10532/1.8=23...(16) QG2 ILE 91 + HG3 GLN 25 OK 56 94 - 60 - 10586/1.8=9, 2964=8...(26) QG1 VAL 63 + HG3 GLN 25 OK 43 72 - 59 - 8361/1.8=13, 2.1/8360=8...(16) QG1 VAL 53 - HG3 GLN 25 OK 23 68 - 34 - 2.1/8245=9, 10586/1.8=4...(13) HB2 LEU 64 - HG3 GLN 25 OK 18 100 - 18 - 3.8/10930=4, 3.1/8374=2...(8) HB2 LEU 108 - HG3 GLN 25 OK 12 89 - 13 - 10935/3.5=2, 10936/3.5=2...(6) Peak 10938 from cnoeabs.peaks (0.93, 2.10, 28.45 ppm; 3.58 A): 3 out of 5 assignments used, quality = 0.95: QG2 VAL 63 + HB3 GLN 25 OK 75 100 - 75 - 9829=20, 8360/2.9=11...(18) QG2 ILE 91 + HB3 GLN 25 OK 60 100 - 60 - 10939/1.8=10...(23) QD2 LEU 29 + HB3 GLN 25 OK 52 77 - 68 - 10532/2.9=14, 2.1/212=10...(17) HB2 LEU 64 - HB3 GLN 25 OK 16 92 - 17 - 3.8/10928=4, 10939/1.8=2...(6) HB2 LEU 108 - HB3 GLN 25 OK 15 100 - 15 - 10939/1.8=2, 10935/4.4=2...(6) Peak 10939 from cnoeabs.peaks (0.93, 2.17, 28.45 ppm; 3.76 A): 3 out of 5 assignments used, quality = 0.96: QG2 VAL 63 + HB2 GLN 25 OK 74 100 - 74 - 9829/1.8=18, ~8361=12...(15) QG2 ILE 91 + HB2 GLN 25 OK 63 100 - 63 - 10938/1.8=11...(23) QD2 LEU 29 + HB2 GLN 25 OK 57 77 - 74 - 10532/2.9=15, ~9778=10...(21) HB2 LEU 108 - HB2 GLN 25 OK 16 100 - 15 - 10938/1.8=3, 10935/4.4=2...(6) HB2 LEU 64 - HB2 GLN 25 OK 15 92 - 17 - 10938/1.8=3, 10940/2.9=2...(8) Peak 10940 from cnoeabs.peaks (0.93, 4.04, 58.58 ppm; 3.83 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 63 + HA GLN 25 OK 65 100 - 65 - 9829/2.9=14, 8360/3.9=10...(14) QG2 ILE 91 + HA GLN 25 OK 54 100 - 54 - 10938/2.9=9, 10939/2.9=8...(17) QD2 LEU 29 + HA GLN 25 OK 46 77 - 60 - 10532/3.9=12...(16) HB2 LEU 64 + HA GLN 25 OK 14 92 - 15 - 10938/2.9=2, 10939/2.9=2...(6) HB2 LEU 108 + HA GLN 25 OK 14 100 - 13 - 10938/2.9=2, 10939/2.9=2...(6) Peak 10945 from cnoeabs.peaks (2.70, 2.00, 16.64 ppm; 4.36 A): 0 out of 6 assignments used, low quality = 0.17: HB3 TYR 115 - QE MET 11 OK 17 68 - 25 - 2.9/10590=15...(4) HB2 ASP 32 - QE MET 11 lone 4 81 - 6 - ~9781=2 HB2 ASP 137 - QE MET 11 lone 2 89 - 2 - HB3 CYS 121 - QE MET 11 lone 2 98 - 2 - HB2 ASN 84 - QE MET 11 lone 1 81 - 1 - HB3 ASP 16 - QE MET 11 lone 1 94 - 1 - Peak 10946 from cnoeabs.peaks (2.95, 2.00, 16.64 ppm; 4.87 A): 6 out of 12 assignments used, quality = 0.89: HB2 TYR 115 + QE MET 11 OK 45 100 - 45 - 1.8/10945=27...(7) HB3 PHE 67 + QE MET 11 OK 45 100 - 45 - 1.8/9762=21...(8) HE3 LYS 61 + QE MET 11 OK 31 62 - 50 - 1.8/9764=16...(8) HE2 LYS 61 + QE MET 11 OK 30 62 - 48 - 1.8/9764=18...(7) HE2 LYS 48 + QE MET 11 OK 14 100 - 14 - 3.6/10599=5, 3.6/10598=3 HE3 LYS 48 + QE MET 11 OK 14 100 - 14 - 3.6/10599=5, 3.6/10598=3 HB2 PHE 106 - QE MET 11 lone 7 100 - 7 - 4.6/9240=2, 3.0/10591=1 HB3 ASN 130 - QE MET 11 lone 5 68 - 8 - 9542/3.3=2, ~9539=1...(4) HE2 LYS 93 - QE MET 11 lone 4 100 - 4 - HE2 LYS 85 - QE MET 11 lone 3 100 - 3 - HE3 LYS 85 - QE MET 11 lone 3 96 - 3 - HE3 LYS 93 - QE MET 11 lone 3 85 - 4 - Peak 10947 from cnoeabs.peaks (6.97, 2.00, 16.64 ppm; 4.98 A): 0 out of 2 assignments used, low quality = 0.19: HD2 HIS 10 - QE MET 11 OK 19 99 - 20 - 10966/4.2=16, 8098/44=1 QD PHE 38 - QE MET 11 lone 6 81 - 8 - 4.3/6240=3, 11528/9762=2 Peak 10948 from cnoeabs.peaks (9.98, 1.92, 27.30 ppm; 5.60 A): 2 out of 3 assignments used, quality = 0.96: * HE1 TRP 17 + HG3 PRO 12 OK 82 100 - 82 - 10949/2.3=40...(9) HE1 TRP 17 + HG2 PRO 12 OK 79 98 - 81 - 10949/2.3=40...(8) HE1 TRP 17 - HG13 ILE 83 lone 2 35 - 6 - 10949/80=2, 11252/88=1 Peak 10949 from cnoeabs.peaks (9.98, 1.76, 31.89 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.79: * HE1 TRP 17 + HB2 PRO 12 OK 79 100 - 79 - 11252/1.8=28...(9) Peak 10950 from cnoeabs.peaks (9.96, 4.33, 63.12 ppm; 5.66 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HE1 TRP 17 - HA PRO 12 Peak 10951 from cnoeabs.peaks (4.33, 2.52, 40.83 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.74: HA PRO 12 + HB2 ASP 13 OK 57 89 - 64 - 3.5/6011=41, 8003=27...(4) HA TYR 70 + HB2 ASP 13 OK 41 89 - 46 - 10602/3.0=20, 6003/3.8=9...(8) Peak 10952 from cnoeabs.peaks (7.06, 2.52, 40.83 ppm; 5.65 A): 0 out of 3 assignments used, low quality = 0.26: H MET 68 - HB2 ASP 13 OK 26 89 - 30 - 10953/1.8=10...(9) QE PHE 67 - HB2 ASP 13 lone 7 99 - 7 - 10953/1.8=4 HD1 TRP 17 - HB2 ASP 13 lone 3 94 - 3 - 10953/1.8=2 Peak 10953 from cnoeabs.peaks (7.07, 2.68, 40.83 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.75: H MET 68 + HB3 ASP 13 OK 45 98 - 46 - 10952/1.8=35, ~1954=6...(4) H MET 68 + HB3 TYR 115 OK 28 74 - 38 - 3.6/3851=11, 6667/1.8=7...(9) QE PHE 67 + HB3 TYR 115 OK 24 67 - 36 - ~5594=9, ~4594=8...(8) QE PHE 67 + HB3 ASP 13 OK 16 92 - 17 - 10952/1.8=9, 5.6/1932=3 HD1 TRP 17 - HB3 ASP 13 lone 7 81 - 9 - 10952/1.8=4, 5.9/6045=2 HD1 TRP 17 - HB3 TYR 115 lone 3 58 - 5 - 5.9/6045=2 Peak 10956 from cnoeabs.peaks (7.87, 2.99, 30.32 ppm; 3.88 A): 0 out of 3 assignments used, low quality = 0.33: H PHE 38 - HB3 HIS 14 OK 33 98 - 34 - 11054/1.8=27, 10957/4.0=8 H TYR 119 - HB3 HIS 14 poor 8 77 - 10 - 4768/4.0=8, 9420/8149=2 H ALA 135 - HB3 HIS 14 lone 2 62 - 3 - 7737/4.2=2, 4768/4.0=1 Peak 10957 from cnoeabs.peaks (7.88, 6.90, 119.60 ppm; 5.04 A): 0 out of 2 assignments used, low quality = 0.34: H PHE 38 - HD2 HIS 14 OK 34 88 - 39 - 11054/4.0=26, 10956/4.0=14 HD22 ASN 139 - HD2 HIS 14 lone 1 58 - 1 - Peak 10958 from cnoeabs.peaks (6.56, 3.75, 45.33 ppm; 4.98 A): 0 out of 4 assignments used, low quality = 0.32: HE22 GLN 22 - HA2 GLY 15 OK 20 67 - 30 - 11283/1.8=22...(3) HE22 GLN 22 - HA3 GLY 15 OK 14 68 - 21 - 11283=12, 9814/8026=6 QE TYR 117 - HA2 GLY 15 lone 4 99 - 4 - 9814/8026=2 QE TYR 117 - HA3 GLY 15 lone 4 100 - 4 - 9814/8026=2, 4733/8280=1 Peak 10959 from cnoeabs.peaks (6.88, 3.75, 45.33 ppm; 6.80 A): 0 out of 8 assignments used, low quality = 0.11: HE21 GLN 111 - HA2 GLY 15 OK 11 94 - 11 - 4.6/3626=4, 4.6/3616=3 HE21 GLN 25 - HA3 GLY 15 poor 7 62 - 12 - 9835/8358=8 HE21 GLN 25 - HA2 GLY 15 lone 6 62 - 10 - 9835/8358=5 HZ PHE 23 - HA3 GLY 15 lone 5 100 - 5 - HZ PHE 23 - HA2 GLY 15 lone 5 100 - 5 - HE21 GLN 111 - HA3 GLY 15 lone 5 94 - 5 - 9835/8358=2 HE22 GLN 47 - HA2 GLY 15 lone 4 100 - 4 - HE22 GLN 47 - HA3 GLY 15 lone 4 100 - 4 - 9835/8358=1 Peak 10960 from cnoeabs.peaks (7.06, 3.75, 45.33 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.57: HD1 TRP 17 + HA3 GLY 15 OK 34 100 - 34 - 2.6/11246=20, ~11246=16 HD1 TRP 17 + HA2 GLY 15 OK 34 99 - 34 - 2.6/11246=20, ~11246=16 QE PHE 67 - HA3 GLY 15 lone 4 100 - 4 - 6055/11246=2 QE PHE 67 - HA2 GLY 15 lone 4 100 - 4 - 6055/11246=2 H MET 68 - HA2 GLY 15 lone 2 72 - 2 - H MET 68 - HA3 GLY 15 lone 2 72 - 2 - Peak 10961 from cnoeabs.peaks (7.83, 2.55, 40.90 ppm; 4.95 A): 1 out of 6 assignments used, quality = 0.92: H TRP 17 + HB2 ASP 16 OK 92 92 - 100 - 4.6=100 H LEU 26 - HB2 ASP 16 lone 6 100 - 6 - 6040/4.0=2, 10270/1.8=2 H SER 44 - HB2 ASP 16 lone 6 68 - 9 - 10270/1.8=3, 4.5/157=3 H ARG 55 - HB2 ASP 16 lone 4 85 - 4 - 10270/1.8=1 H THR 110 - HB2 ASP 16 lone 3 94 - 3 - 10270/1.8=1 H TYR 27 - HB2 ASP 16 lone 1 85 - 1 - Peak 10963 from cnoeabs.peaks (3.92, 8.49, 33.14 ppm; 4.19 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10966 from cnoeabs.peaks (6.98, 1.81, 32.13 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.36: HD2 HIS 10 - HB2 MET 11 OK 36 100 - 36 - 10947/4.2=32, 8098/20=4 Peak 10967 from cnoeabs.peaks (8.21, 1.81, 32.13 ppm; 4.48 A): 1 out of 5 assignments used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 - 100 - 4.0=100 H ARG 124 - HB2 MET 11 OK 36 98 - 38 - 3.9/23=10, 3.0/4197=6...(10) H ARG 141 - HB2 MET 11 lone 7 94 - 7 - H ILE 136 - HB2 MET 11 lone 5 89 - 5 - H THR 74 - HB2 MET 11 lone 4 68 - 6 - 3.2/6760=2 Peak 10978 from cnoeabs.peaks (8.20, 3.05, 30.06 ppm; 5.35 A): 2 out of 5 assignments used, quality = 0.90: H MET 11 + HB2 HIS 10 OK 88 88 - 100 - 4.7=100 H ARG 124 + HB2 HIS 10 OK 12 67 - 18 - 10979/1.8=5, 10980/3.0=5...(4) H GLU 131 - HB2 HIS 10 lone 3 62 - 5 - 3.6/6=3 H ARG 141 - HB2 HIS 10 lone 3 100 - 3 - H GLU 142 - HB2 HIS 10 lone 2 94 - 2 - Peak 10979 from cnoeabs.peaks (8.20, 3.10, 30.06 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.98: H MET 11 + HB3 HIS 10 OK 98 98 - 100 - 4.7=100 H ARG 124 - HB3 HIS 10 OK 16 85 - 19 - 10980/3.0=6, 3.0/9=5...(4) H ILE 136 - HB3 HIS 10 OK 12 68 - 17 - 2.9/10749=6, 4.8/9669=4...(6) H ARG 141 - HB3 HIS 10 lone 2 100 - 2 - H GLU 142 - HB3 HIS 10 lone 1 81 - 2 - Peak 10980 from cnoeabs.peaks (8.21, 4.61, 55.75 ppm; 3.39 A): 2 out of 5 assignments used, quality = 0.91: H MET 11 + HA HIS 10 OK 90 100 - 90 - 3.6=85, 4.7/5=17, 4.7/6=15 H ARG 124 + HA HIS 10 OK 18 99 - 18 - 7550=5, 3.9/4214=2...(7) H ILE 136 - HA HIS 10 lone 4 94 - 4 - ~10749=1, 10979/3.0=1 H THR 74 - HA HIS 10 lone 2 77 - 2 - H ARG 141 - HA HIS 10 lone 1 88 - 1 - Peak 10986 from cnoeabs.peaks (6.65, 2.13, 32.11 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: HE22 GLN 111 + HG2 GLN 111 OK 99 99 - 100 - 3.5=100 HD21 ASN 84 - HG2 GLN 111 poor 10 72 - 13 - 3.5/3641=7, ~6945=3, 6939/1.8=1 Peak 10989 from cnoeabs.peaks (2.69, 4.09, 51.07 ppm; 4.77 A): 1 out of 6 assignments used, quality = 1.00: HB2 ASP 32 + HD3 PRO 33 OK 100 100 - 100 - 4.8=98, 3.0/425=35...(15) HB3 TYR 115 - HD3 PRO 33 OK 45 100 - 45 - ~10215=14, 10991/1.8=9...(9) HB3 ASP 16 - HD3 PRO 33 OK 14 98 - 14 - 160/3.8=3, 10991/1.8=2...(6) HB3 ASP 13 - HD3 PRO 33 OK 13 94 - 14 - 412/3.8=3, ~8006=3...(5) HB2 ASP 137 - HD3 PRO 33 OK 12 100 - 12 - 10351/3.8=5, 10991/1.8=2...(4) HB2 PHE 43 - HD3 PRO 33 lone 7 96 - 7 - 412/3.8=2, 420/4.8=2 Peak 10990 from cnoeabs.peaks (2.89, 4.09, 51.07 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 32 + HD3 PRO 33 OK 100 100 - 100 - 4.8=100 HB2 TYR 119 - HD3 PRO 33 OK 28 100 - 28 - 413/3.8=7, 6154/4.8=5...(7) Peak 10991 from cnoeabs.peaks (2.69, 4.05, 51.07 ppm; 5.30 A): 2 out of 6 assignments used, quality = 1.00: HB2 ASP 32 + HD2 PRO 33 OK 99 99 - 100 - 4.8=100 HB3 TYR 115 + HD2 PRO 33 OK 58 100 - 58 - 1.8/10215=20...(10) HB3 ASP 13 - HD2 PRO 33 OK 18 99 - 19 - 412/3.8=4, ~8006=4...(6) HB3 ASP 16 - HD2 PRO 33 OK 16 92 - 17 - 160/3.8=4, 10989/1.8=3...(7) HB2 ASP 137 - HD2 PRO 33 OK 16 96 - 16 - 10351/3.8=6, 9788/1.8=3...(4) HB2 PHE 43 - HD2 PRO 33 lone 9 100 - 9 - 412/3.8=2, 420/4.8=2...(4) Peak 10992 from cnoeabs.peaks (2.91, 4.05, 51.07 ppm; 5.72 A): 0 out of 3 assignments used, low quality = 0.14: HD2 ARG 35 - HD2 PRO 33 OK 14 100 - 14 - 8093/6161=11, ~9915=2 HB2 TYR 119 - HD2 PRO 33 poor 9 62 - 14 - ~10705=3, 3.9/7468=2...(6) HB2 HIS 14 - HD2 PRO 33 lone 3 68 - 4 - 11370/10877=2 Peak 10994 from cnoeabs.peaks (1.50, 2.10, 27.30 ppm; 4.28 A): 1 out of 5 assignments used, quality = 0.94: HG2 LYS 34 + HG2 PRO 33 OK 94 100 - 94 - 1.8/10610=18, 11479=17...(47) HB2 GLU 122 - HG2 PRO 33 OK 29 85 - 34 - 1.8/4077=4, 4069=3...(11) HG13 ILE 101 - HG2 PRO 33 OK 29 89 - 32 - 10180/2.3=6, ~9180=5...(12) HB3 LEU 29 - HG2 PRO 33 OK 13 77 - 17 - ~9777=4, ~10851=2...(7) HD3 LYS 114 - HG2 PRO 33 lone 8 94 - 9 - Peak 10995 from cnoeabs.peaks (1.62, 2.10, 27.30 ppm; 4.20 A): 2 out of 7 assignments used, quality = 0.95: HG3 LYS 34 + HG2 PRO 33 OK 92 99 - 93 - 1.8/10609=21, 5.0/473=15...(47) HB3 LEU 26 + HG2 PRO 33 OK 44 81 - 54 - 3.0/471=6, 3.9/6075=6...(26) HD2 LYS 24 - HG2 PRO 33 OK 41 99 - 41 - 11312/2.3=8, ~10894=7...(12) HB2 LEU 87 - HG2 PRO 33 OK 18 89 - 20 - 3.0/10525=5, ~422=2...(7) HG3 ARG 49 - HG2 PRO 33 lone 8 85 - 9 - ~1271=1 HB3 LEU 64 - HG2 PRO 33 lone 4 92 - 5 - 520/10609=1 HG3 ARG 144 - HG2 PRO 33 lone 2 92 - 2 - Peak 10996 from cnoeabs.peaks (1.64, 2.09, 27.30 ppm; 4.22 A): 3 out of 6 assignments used, quality = 0.98: HG3 LYS 34 + HG3 PRO 33 OK 89 94 - 94 - 1.8/10997=20, ~10609=15...(47) HB3 LEU 26 + HG3 PRO 33 OK 54 100 - 54 - 3.0/479=7, 253=6...(24) HB2 PRO 57 + HG3 PRO 33 OK 52 68 - 77 - 2.3/474=16, ~466=11...(22) HD2 LYS 24 - HG3 PRO 33 OK 38 94 - 41 - 11312/2.3=8, ~10894=7...(12) HB2 LYS 114 - HG3 PRO 33 lone 4 62 - 6 - 3.6/9792=3 HD3 LYS 93 - HG3 PRO 33 lone 2 62 - 3 - Peak 10997 from cnoeabs.peaks (1.50, 2.09, 27.30 ppm; 4.07 A): 2 out of 6 assignments used, quality = 0.94: HG2 LYS 34 + HG3 PRO 33 OK 92 99 - 93 - 11479=16, 5.0/481=14...(47) HG3 PRO 57 + HG3 PRO 33 OK 30 62 - 49 - 2.3/9793=15, ~11514=12...(13) HB2 GLU 122 - HG3 PRO 33 OK 30 96 - 31 - 4069=4, 4069/1.8=4...(9) HG13 ILE 101 - HG3 PRO 33 OK 20 72 - 28 - ~9180=5, 10180/2.3=4...(10) HD3 LYS 114 - HG3 PRO 33 lone 5 81 - 6 - 3.6/9793=1 HB2 LYS 123 - HG3 PRO 33 lone 3 72 - 4 - Peak 10998 from cnoeabs.peaks (6.55, 2.09, 32.16 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.47: QE TYR 117 + HB3 LYS 36 OK 47 92 - 52 - ~10794=22, 10796/3.0=14...(6) HE22 GLN 22 - HB3 LYS 36 lone 8 100 - 8 - 11290/8290=2...(4) Peak 10999 from cnoeabs.peaks (4.39, 3.01, 42.54 ppm; 4.11 A): 0 out of 6 assignments used, low quality = 0.00: HA ASP 30 - HE2 LYS 36 lone 3 100 - 3 - 10792/3.0=1 HA ASP 30 - HE3 LYS 36 lone 3 100 - 3 - 10792/3.0=1 HA ASN 96 - HE2 LYS 36 lone 2 85 - 3 - 10792/3.0=1 HA ASN 96 - HE3 LYS 36 lone 2 85 - 3 - 10792/3.0=1 HB THR 18 - HE3 LYS 36 lone 1 100 - 1 - HB THR 18 - HE2 LYS 36 lone 1 99 - 1 - Peak 11000 from cnoeabs.peaks (6.98, 6.98, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 11001 from cnoeabs.peaks (3.06, 6.98, 119.60 ppm; 3.99 A): 1 out of 8 assignments used, quality = 0.96: HB2 HIS 10 + HD2 HIS 10 OK 96 96 - 100 - 4.0=100 HE2 LYS 34 - HD2 HIS 10 OK 30 99 - 30 - 2.9/8099=8, 2.9/8099=8...(6) HE3 LYS 34 - HD2 HIS 10 OK 30 100 - 30 - 2.9/8099=8, 2.9/8099=8...(6) HE3 LYS 86 - HD2 HIS 10 lone 4 96 - 4 - 491/8097=1 HE2 LYS 86 - HD2 HIS 10 lone 4 94 - 4 - 491/8097=1 HB2 TYR 27 - HD2 HIS 10 lone 2 100 - 2 - HB3 TRP 88 - HD2 HIS 10 lone 1 85 - 1 - HB3 ASP 30 - HD2 HIS 10 lone 1 85 - 1 - Peak 11003 from cnoeabs.peaks (7.88, 3.10, 30.06 ppm; 5.71 A): 0 out of 2 assignments used, low quality = 0.20: H PHE 38 - HB3 HIS 10 OK 20 85 - 24 - 4776/4.0=19, 4.3/9759=4 HD22 ASN 139 - HB3 HIS 10 lone 2 72 - 2 - Peak 11005 from cnoeabs.peaks (0.98, 3.90, 57.09 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.85: QD1 LEU 116 + HA MET 46 OK 71 89 - 80 - 9374/3.0=29...(13) HG12 ILE 136 + HA MET 46 OK 28 85 - 33 - ~10710=7, ~9676=6...(9) HB2 LEU 39 + HA MET 46 OK 28 100 - 28 - 1.8/11506=7, 3.0/9820=4...(9) Peak 11006 from cnoeabs.peaks (1.05, 2.72, 31.86 ppm; 5.92 A): 3 out of 4 assignments used, quality = 0.99: HG13 ILE 91 + HB3 MET 46 OK 87 100 - 87 - 10707/3.0=19...(25) QG2 VAL 53 + HB3 MET 46 OK 79 98 - 80 - 8241=30, 10492/4.2=25...(10) HB2 LEU 116 + HB3 MET 46 OK 61 72 - 84 - 3.1/9374=27...(18) HG3 LYS 114 - HB3 MET 46 OK 41 99 - 41 - 10699/4.2=9, 10707/3.0=9...(10) Peak 11007 from cnoeabs.peaks (1.06, 3.22, 34.70 ppm; 5.04 A): 3 out of 5 assignments used, quality = 0.95: QG2 VAL 53 + HG3 MET 46 OK 76 96 - 79 - 8241/3.0=24...(15) HG13 ILE 91 + HG3 MET 46 OK 66 77 - 86 - 10707/1.8=16...(26) HG3 LYS 114 + HG3 MET 46 OK 39 94 - 42 - 10699/3.3=9, 10707/1.8=7...(13) HG2 ARG 35 - HG3 MET 46 OK 10 85 - 12 - ~10491=2, ~10698=2...(5) QD2 LEU 26 - HG3 MET 46 lone 2 62 - 3 - Peak 11008 from cnoeabs.peaks (0.51, 3.22, 34.70 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.79: QD1 LEU 42 + HG3 MET 46 OK 79 88 - 89 - 10701/3.3=46, 10620=33...(18) Peak 11009 from cnoeabs.peaks (1.78, 0.86, 17.79 ppm; 3.66 A): 7 out of 9 assignments used, quality = 0.92: HG2 PRO 57 + QG2 ILE 56 OK 76 96 - 79 - 2.3/8251=18, 2.3/8251=18...(25) HB3 ARG 55 + QG2 ILE 56 OK 22 100 - 22 - 1414/4.0=19, 10621=2 HB3 MET 59 + QG2 ILE 56 OK 22 100 - 22 - 1.8/8299=5, 3.0/10140=3...(9) HG LEU 39 + QG2 ILE 56 OK 14 98 - 15 - ~8112=4, 10989/10430=2...(5) HD3 LYS 34 + QG2 ILE 56 OK 13 62 - 20 - 10621=3, 1.8/10621=2...(5) HG LEU 72 + QG2 ILE 56 OK 13 94 - 13 - 3.0/1461=1, 6761/10604=1 HD2 LYS 34 + QG2 ILE 56 OK 12 62 - 19 - 3.4/1459=2, 1.8/10621=2...(5) HB3 ARG 35 - QG2 ILE 56 lone 4 85 - 5 - 4.3/10431=1, ~10595=1 HB3 ARG 145 - QG2 ILE 56 lone 4 68 - 6 - 4.0/10604=1 Peak 11010 from cnoeabs.peaks (1.61, 0.86, 17.79 ppm; 3.63 A): 3 out of 9 assignments used, quality = 0.88: HB3 LEU 64 + QG2 ILE 56 OK 67 98 - 68 - 3.1/1463=8, 1830=7...(27) HG LEU 108 + QG2 ILE 56 OK 42 99 - 43 - ~10170=6, 10622=5...(22) HB2 LEU 97 + QG2 ILE 56 OK 39 96 - 41 - 3201=5, 1.8/3208=4...(16) HB2 LEU 87 - QG2 ILE 56 lone 8 99 - 8 - 3.0/10133=1, 10622=1 HG3 ARG 49 - QG2 ILE 56 lone 4 100 - 4 - HG2 ARG 141 - QG2 ILE 56 lone 4 98 - 4 - HG3 ARG 144 - QG2 ILE 56 lone 3 98 - 3 - HG3 LYS 48 - QG2 ILE 56 lone 3 85 - 3 - HG2 ARG 144 - QG2 ILE 56 lone 2 89 - 3 - Peak 11011 from cnoeabs.peaks (1.78, 0.63, 25.34 ppm; 3.41 A): 4 out of 9 assignments used, quality = 0.96: HG2 PRO 57 + QD2 LEU 64 OK 77 100 - 77 - 8267=33, 11016/2.1=11...(18) HB3 MET 59 + QD2 LEU 64 OK 53 100 - 54 - 11016/2.1=11, ~8299=8...(17) HD3 LYS 34 + QD2 LEU 64 OK 38 77 - 49 - 9879=11, 1.8/9879=9...(17) HD2 LYS 34 + QD2 LEU 64 OK 37 77 - 48 - 9879=9, 1.8/9879=8...(18) HG LEU 39 - QD2 LEU 64 OK 20 92 - 22 - 3.0/11015=7, 3.0/10625=5...(6) HG LEU 72 - QD2 LEU 64 OK 15 99 - 15 - 10627/2.1=2, 9879=2...(5) HB3 ARG 35 - QD2 LEU 64 poor 9 72 - 12 - 4.3/9884=3, 3.6/9848=3 HB3 ARG 55 - QD2 LEU 64 lone 4 96 - 4 - HB3 ARG 145 - QD2 LEU 64 lone 3 81 - 3 - Peak 11012 from cnoeabs.peaks (1.52, 0.63, 25.34 ppm; 3.66 A): 2 out of 9 assignments used, quality = 0.93: HG3 PRO 57 + QD2 LEU 64 OK 76 96 - 79 - 1.8/8267=28...(16) HB2 LEU 29 + QD2 LEU 64 OK 73 100 - 73 - 1.8/10623=22...(22) QB ALA 135 - QD2 LEU 64 OK 22 100 - 22 - 10964/11015=3...(6) HG3 LYS 76 - QD2 LEU 64 OK 18 100 - 18 - 3.0/10623=3, 10628/2.1=2...(4) HB2 LYS 123 - QD2 LEU 64 OK 16 92 - 17 - 10626/2.1=3, 3.7/10916=2...(7) HD2 LYS 76 - QD2 LEU 64 OK 15 94 - 15 - 3.5/10623=3...(4) HG2 LYS 93 - QD2 LEU 64 OK 12 100 - 12 - 2.9/11014=3 HG3 LYS 85 - QD2 LEU 64 lone 9 99 - 9 - 10628/2.1=1 HB2 GLU 122 - QD2 LEU 64 lone 5 62 - 9 - 4.0/9847=1, 3.0/9882=1 Peak 11013 from cnoeabs.peaks (1.97, 0.63, 25.34 ppm; 3.51 A): 5 out of 7 assignments used, quality = 0.90: HB ILE 56 + QD2 LEU 64 OK 55 81 - 68 - 3.0/10916=13, 9880=12...(23) HB2 LYS 34 + QD2 LEU 64 OK 43 100 - 44 - 3.4/9879=6, 2.9/1843=6...(17) HB3 ARG 124 + QD2 LEU 64 OK 31 92 - 33 - 9880=6, 3.0/11071=5...(10) HB3 PRO 98 + QD2 LEU 64 OK 28 62 - 46 - ~9142=9, 1.8/8374=8...(15) HB3 GLU 75 + QD2 LEU 64 OK 24 85 - 28 - 1.8/8373=5, ~8629=4...(9) HB3 MET 11 - QD2 LEU 64 lone 7 99 - 8 - HB2 LYS 61 - QD2 LEU 64 lone 3 89 - 3 - Peak 11014 from cnoeabs.peaks (1.88, 0.63, 25.34 ppm; 3.54 A): 0 out of 10 assignments used, low quality = 0.33: HB3 GLN 111 - QD2 LEU 64 OK 33 72 - 45 - 3.0/8372=15, 3.0/11483=8...(9) HB3 LYS 93 - QD2 LEU 64 lone 8 96 - 9 - 10229/11015=2...(3) HB2 LYS 24 - QD2 LEU 64 poor 7 62 - 11 - 3.7/1843=2 HB3 ARG 89 - QD2 LEU 64 lone 5 62 - 9 - ~8948=4, ~8947=1 HB2 ARG 144 - QD2 LEU 64 lone 5 72 - 7 - 3.0/1843=1 HB2 LYS 36 - QD2 LEU 64 lone 5 77 - 7 - 3.9/9884=4, 10295/11015=1 HB3 ARG 140 - QD2 LEU 64 lone 4 94 - 5 - 10229/11015=1 HB3 LYS 48 - QD2 LEU 64 lone 4 85 - 5 - HB3 ARG 141 - QD2 LEU 64 lone 4 100 - 4 - HB2 LYS 48 - QD2 LEU 64 lone 3 57 - 4 - Peak 11015 from cnoeabs.peaks (0.99, 0.63, 25.34 ppm; 2.88 A): 3 out of 3 assignments used, quality = 0.48: QD1 LEU 116 + QD2 LEU 64 OK 30 100 - 30 - 10624=20, 10228/11376=2...(4) HG12 ILE 136 + QD2 LEU 64 OK 16 100 - 16 - 10624=9 HB2 LEU 39 + QD2 LEU 64 OK 13 92 - 14 - 1.8/10625=4, 3.0/11011=1 Peak 11016 from cnoeabs.peaks (1.77, 0.86, 22.38 ppm; 3.18 A): 3 out of 8 assignments used, quality = 0.77: HG2 PRO 57 + QD1 LEU 64 OK 49 85 - 57 - 8267/2.1=17...(14) HB3 MET 59 + QD1 LEU 64 OK 48 99 - 49 - 1.8/8299=10, 3.0/8301=8...(15) HG LEU 39 + QD1 LEU 64 OK 14 100 - 14 - ~11015=3, ~10625=2...(7) HG LEU 72 - QD1 LEU 64 lone 8 81 - 10 - 11011/2.1=2 HB3 ARG 35 - QD1 LEU 64 lone 6 96 - 6 - 8389/5.0=1 HG LEU 95 - QD1 LEU 64 lone 5 62 - 9 - 2.1/941=2, ~9074=1...(4) HB3 ARG 55 - QD1 LEU 64 lone 4 100 - 4 - 4.4/6515=2 HB2 PRO 12 - QD1 LEU 64 lone 2 68 - 3 - Peak 11017 from cnoeabs.peaks (1.51, 0.86, 22.38 ppm; 3.86 A): 3 out of 9 assignments used, quality = 0.93: HG3 PRO 57 + QD1 LEU 64 OK 78 98 - 79 - ~8267=21, 1.8/11016=16...(18) HB2 LEU 29 + QD1 LEU 64 OK 58 81 - 71 - ~10623=15, 10628/2.1=12...(22) HG2 LYS 34 + QD1 LEU 64 OK 31 68 - 46 - 1.8/1851=8, ~1843=5...(18) QB ALA 135 - QD1 LEU 64 OK 17 85 - 20 - 9654/8376=3, 10628/2.1=2...(9) HB2 LYS 123 - QD1 LEU 64 OK 11 100 - 11 - 11012/2.1=2, ~9840=1, ~9882=1 HB2 GLU 122 - QD1 LEU 64 lone 8 99 - 8 - 10628/2.1=1 HG3 LYS 76 - QD1 LEU 64 poor 8 68 - 12 - 10628/2.1=2, ~10623=2...(4) HG3 LYS 85 - QD1 LEU 64 lone 7 94 - 8 - 10014/8376=1...(3) HG2 LYS 93 - QD1 LEU 64 lone 5 68 - 8 - ~11014=2, 10628/2.1=1 Peak 11018 from cnoeabs.peaks (1.76, 1.14, 27.00 ppm; 4.36 A): 5 out of 7 assignments used, quality = 0.89: HB ILE 83 + HG LEU 64 OK 69 85 - 81 - ~8376=21, 10627/2.1=18...(22) HB3 MET 59 + HG LEU 64 OK 39 62 - 63 - ~8299=12, 10627/2.1=11...(17) HG LEU 39 + HG LEU 64 OK 20 85 - 24 - ~11015=5, ~10625=4...(7) HG LEU 95 + HG LEU 64 OK 19 99 - 19 - 10988/3.0=4, 2.1/9074=3...(7) HB3 ARG 35 + HG LEU 64 OK 11 98 - 11 - 10988/3.0=2, 1910/9857=2...(4) HB2 PRO 12 - HG LEU 64 lone 6 100 - 6 - 10988/3.0=1, 1910/9857=1 HB3 ARG 55 - HG LEU 64 lone 3 77 - 4 - 10627/2.1=1 Peak 11019 from cnoeabs.peaks (1.14, 1.78, 27.60 ppm; 5.68 A): 1 out of 3 assignments used, quality = 0.94: HG LEU 64 + HG2 PRO 57 OK 94 100 - 94 - 2.1/8267=41, 10630=35...(21) HD2 LYS 123 - HG2 PRO 57 OK 24 57 - 42 - 3.7/1533=6, ~4142=6...(12) QG2 THR 18 - HG2 PRO 57 OK 11 100 - 11 - 1844/8267=4, 1852/11016=1 Peak 11020 from cnoeabs.peaks (0.87, 1.78, 27.60 ppm; 4.06 A): 3 out of 7 assignments used, quality = 0.97: QG2 ILE 56 + HG2 PRO 57 OK 83 96 - 86 - 8251/2.3=20, 8251/2.3=20...(28) QD1 LEU 64 + HG2 PRO 57 OK 59 77 - 77 - 2.1/8267=34...(16) QG2 ILE 136 + HG2 PRO 57 OK 59 81 - 72 - 10631=12, 8263/2.3=9...(34) QG2 ILE 101 - HG2 PRO 57 OK 30 81 - 37 - 10631=6, 8263/2.3=5...(14) QD1 ILE 101 - HG2 PRO 57 OK 22 68 - 33 - 10631=5, 3.1/10631=4...(15) QD1 LEU 97 - HG2 PRO 57 OK 11 89 - 13 - 10631=2, 8263/2.3=2 HB3 LEU 42 - HG2 PRO 57 lone 7 100 - 7 - 1846/8267=2...(3) Peak 11021 from cnoeabs.peaks (1.62, 2.38, 32.38 ppm; 6.14 A): 4 out of 16 assignments used, quality = 0.99: HB3 LEU 64 + HG2 MET 59 OK 88 96 - 92 - 3.2/8378=15, ~8299=14...(26) HB3 LEU 64 + HG3 MET 59 OK 82 90 - 92 - 3.2/8378=14, ~8378=14...(26) HG LEU 108 + HG2 MET 59 OK 53 62 - 85 - ~10408=40, ~10569=19...(16) HG LEU 108 + HG3 MET 59 OK 47 56 - 85 - ~10408=40, ~10569=19...(15) HB2 LEU 87 - HG2 MET 59 OK 33 94 - 34 - ~10566=6, 10565/3.4=4...(13) HG3 ARG 49 - HG2 MET 59 OK 32 92 - 34 - 3.0/10576=9, ~10576=6...(9) HG3 LYS 34 - HG2 MET 59 OK 31 96 - 32 - 10522/1.8=7, 10522=6...(13) HB2 LEU 87 - HG3 MET 59 OK 30 87 - 34 - ~10566=6, 10565/3.4=4...(13) HG3 ARG 49 - HG3 MET 59 OK 28 84 - 34 - 3.0/10576=8, ~10576=7...(9) HG3 LYS 34 - HG3 MET 59 OK 28 90 - 31 - 10522/1.8=6, 10522=6...(13) HD2 LYS 24 - HG2 MET 59 OK 12 96 - 12 - ~10566=3, 10178/9181=1 HG3 ARG 144 - HG2 MET 59 OK 11 96 - 11 - 10565/3.4=1, ~10404=1 HD2 LYS 24 - HG3 MET 59 OK 10 90 - 12 - ~10566=3, 10178/9181=1 HG3 ARG 144 - HG3 MET 59 poor 10 90 - 11 - 10565/3.4=1, ~10404=1 HB3 LEU 26 - HG2 MET 59 poor 9 72 - 12 - 3.9/6076=3, ~10583=2...(4) HB3 LEU 26 - HG3 MET 59 poor 7 65 - 11 - 3.9/6076=3, ~10583=2...(4) Peak 11023 from cnoeabs.peaks (1.98, 4.17, 53.78 ppm; 4.96 A): 4 out of 7 assignments used, quality = 0.94: HB VAL 63 + HA LEU 64 OK 79 92 - 86 - 1797/3.0=24, ~1807=19...(22) QE MET 59 + HA LEU 64 OK 39 94 - 41 - 10409/4.0=13...(8) HB3 GLU 75 + HA LEU 64 OK 38 96 - 40 - 10634/3.0=8, 8636/3.7=7...(12) QE MET 113 + HA LEU 64 OK 25 85 - 30 - 10662/4.0=13, 9332/3.9=4...(6) HB3 ARG 124 - HA LEU 64 OK 20 92 - 21 - 9483/4.0=6, 10635/3.0=2...(6) HB2 GLN 111 - HA LEU 64 OK 18 62 - 29 - 10634/3.0=7, 9880/4.0=6...(7) HB2 GLU 142 - HA LEU 64 lone 10 100 - 10 - 10634/3.0=1, 6610/3.0=1 Peak 11026 from cnoeabs.peaks (-1.13, 0.93, 18.02 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.94: QG1 VAL 82 + QG2 ILE 91 OK 94 99 - 95 - 10636=44, 11029/3.3=34...(22) Peak 11027 from cnoeabs.peaks (-1.12, 1.42, 27.10 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.92: QG1 VAL 82 + HG12 ILE 91 OK 92 100 - 92 - 11029/2.1=47...(14) Peak 11028 from cnoeabs.peaks (-1.12, 1.05, 27.10 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.91: QG1 VAL 82 + HG13 ILE 91 OK 91 100 - 91 - 11029/2.1=44...(15) Peak 11029 from cnoeabs.peaks (-1.12, 0.32, 10.52 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.84: QG1 VAL 82 + QD1 ILE 91 OK 84 100 - 84 - 10647=35, 11028/2.1=22...(18) Peak 11030 from cnoeabs.peaks (0.12, 0.93, 18.02 ppm; 6.65 A): 1 out of 1 assignment used, quality = 0.94: QG1 VAL 73 + QG2 ILE 91 OK 94 94 - 100 - 10648=49, 4.0/10079=45...(40) Peak 11031 from cnoeabs.peaks (0.77, 1.42, 27.10 ppm; 3.53 A): 4 out of 6 assignments used, quality = 0.93: QD2 LEU 72 + HG12 ILE 91 OK 71 85 - 83 - 8542/2.1=23, ~8541=16...(29) QD1 LEU 72 + HG12 ILE 91 OK 52 68 - 77 - ~8542=17, 8541/2.1=15...(24) QD2 LEU 95 + HG12 ILE 91 OK 32 96 - 33 - 9075/3.8=15, 11032/1.8=5...(10) QG2 THR 74 + HG12 ILE 91 OK 29 77 - 38 - 8615/2.1=5, 11032/1.8=5...(17) QD1 LEU 79 - HG12 ILE 91 OK 17 85 - 20 - 9075/3.8=5, 9941/11027=4...(6) QD1 ILE 136 - HG12 ILE 91 OK 15 62 - 23 - 8962/3.8=4, 4.2/2971=3...(10) Peak 11032 from cnoeabs.peaks (0.77, 1.05, 27.10 ppm; 3.61 A): 4 out of 6 assignments used, quality = 0.95: QD2 LEU 72 + HG13 ILE 91 OK 74 85 - 86 - 8542/2.1=23, ~8541=17...(32) QD1 LEU 72 + HG13 ILE 91 OK 55 68 - 82 - ~8542=18, 8541/2.1=16...(28) QD2 LEU 95 + HG13 ILE 91 OK 34 96 - 35 - 9075/3.8=16, 11031/1.8=6...(10) QG2 THR 74 + HG13 ILE 91 OK 32 77 - 41 - 8615/2.1=5, 11031/1.8=5...(19) QD1 LEU 79 - HG13 ILE 91 OK 19 85 - 22 - 9075/3.8=6, 9941/11028=4...(6) QD1 ILE 136 - HG13 ILE 91 OK 17 62 - 27 - 10649/1.8=4, 8962/3.8=4...(11) Peak 11033 from cnoeabs.peaks (0.10, 1.05, 27.10 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 73 + HG13 ILE 91 OK 98 99 - 99 - ~8593=41, 8978/2.1=35...(28) Peak 11034 from cnoeabs.peaks (4.17, 3.19, 65.90 ppm; 5.18 A): 3 out of 8 assignments used, quality = 0.91: * HG1 THR 74 + HA VAL 73 OK 60 100 - 60 - 8610/3.6=21, 8572/3.0=14...(12) HA TRP 88 + HA VAL 73 OK 59 100 - 59 - 8931/10652=13...(16) HA LEU 64 + HA VAL 73 OK 46 100 - 46 - 8572/3.0=9, 9878/3.2=9...(13) HA PHE 38 - HA VAL 73 OK 20 100 - 20 - 8572/3.0=4, 8610/3.6=3...(7) HA GLU 120 - HA VAL 73 OK 18 98 - 18 - 4012/10656=3, 8572/3.0=2...(7) HA3 GLY 125 - HA VAL 73 OK 14 68 - 21 - 3.0/9917=5, 4262/3.6=3...(6) HB3 SER 44 - HA VAL 73 OK 11 92 - 12 - 8991/8582=2, 8572/3.0=2...(4) HB2 SER 44 - HA VAL 73 OK 11 92 - 12 - 8991/8582=2, 8572/3.0=2...(4) Peak 11035 from cnoeabs.peaks (-1.12, 3.19, 65.90 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 82 + HA VAL 73 OK 99 100 - 99 - 2.1/8583=48...(28) Peak 11036 from cnoeabs.peaks (-1.12, 0.76, 23.82 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 82 + QG2 VAL 73 OK 98 100 - 98 - 2.1/8594=36, 10654=35...(34) Peak 11037 from cnoeabs.peaks (0.41, 3.40, 66.33 ppm; 6.16 A): 2 out of 2 assignments used, quality = 0.85: QG2 VAL 82 + HA THR 74 OK 62 72 - 85 - 8583/4.8=36...(19) QD2 LEU 132 + HA THR 74 OK 61 81 - 75 - 8583/4.8=41...(14) Peak 11038 from cnoeabs.peaks (1.05, 3.19, 65.90 ppm; 6.26 A): 3 out of 3 assignments used, quality = 1.00: HG13 ILE 91 + HA VAL 73 OK 99 99 - 100 - ~8978=40, 2.1/8582=38...(30) QG2 VAL 53 + HA VAL 73 OK 84 100 - 84 - 8240=32, ~8571=18...(23) HG3 LYS 114 + HA VAL 73 OK 65 100 - 66 - ~8578=38, 8581/3.0=12...(9) Peak 11039 from cnoeabs.peaks (1.37, 3.19, 65.90 ppm; 5.45 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 82 + HA VAL 73 OK 100 100 - 100 - 2.1/8583=50...(21) HG LEU 132 + HA VAL 73 OK 84 99 - 85 - 2.1/8583=49, ~9598=26...(15) HB2 LEU 69 + HA VAL 73 OK 77 85 - 90 - ~9922=23, 3.2/8461=17...(31) HB3 LEU 39 - HA VAL 73 OK 38 100 - 38 - ~8588=7, 3.2/862=5...(13) HB2 ARG 109 - HA VAL 73 OK 18 94 - 19 - ~9271=4, 8590/3.2=4...(5) HG2 ARG 49 - HA VAL 73 poor 9 72 - 13 - 4499/8583=2, 2493/8583=2...(5) Peak 11040 from cnoeabs.peaks (0.95, 3.19, 65.90 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.69: QG2 THR 51 + HA VAL 73 OK 38 85 - 45 - 8228/3.0=16, 8580/3.0=15...(7) QD1 LEU 29 + HA VAL 73 OK 37 77 - 48 - 8580/3.0=27, 3.1/2164=7...(9) HG3 ARG 35 + HA VAL 73 OK 21 81 - 26 - 8580/3.0=8, ~8596=7...(4) Peak 11041 from cnoeabs.peaks (3.72, 0.85, 16.44 ppm; 3.52 A): 0 out of 4 assignments used, low quality = 0.25: HA ILE 136 - QG2 ILE 83 OK 25 62 - 39 - 5.0/9705=8, 9692/3.2=5...(15) HB THR 74 - QG2 ILE 83 lone 6 94 - 6 - ~9996=1 HA LEU 108 - QG2 ILE 83 lone 4 100 - 4 - HA THR 107 - QG2 ILE 83 lone 3 81 - 4 - Peak 11042 from cnoeabs.peaks (1.66, 0.85, 16.44 ppm; 3.60 A): 4 out of 13 assignments used, quality = 0.94: HB2 LEU 95 + QG2 ILE 83 OK 73 99 - 74 - 3131/2.1=9, ~9061=9...(36) HG13 ILE 136 + QG2 ILE 83 OK 46 92 - 50 - 3.7/11041=15, ~10021=8...(23) HG2 ARG 89 + QG2 ILE 83 OK 38 99 - 38 - 3.0/8950=15, 3.8/8948=7...(8) HG2 ARG 140 + QG2 ILE 83 OK 31 94 - 32 - 1.8/2516=3, 10023/3.1=3...(13) HB2 PRO 57 - QG2 ILE 83 OK 15 77 - 20 - 2.3/9998=4, ~10015=3...(10) HD3 LYS 93 - QG2 ILE 83 OK 14 81 - 18 - 3.0/9998=3, ~9042=1...(5) HB VAL 71 - QG2 ILE 83 OK 14 99 - 14 - 10593/1846=2...(5) HG2 ARG 124 - QG2 ILE 83 OK 13 100 - 13 - ~11138=2, 4228/11060=2...(6) HB2 ARG 145 - QG2 ILE 83 OK 11 94 - 11 - 3.4/10007=2, 3.4/10007=2 HB2 MET 68 - QG2 ILE 83 lone 8 100 - 8 - HB2 LYS 114 - QG2 ILE 83 lone 6 81 - 8 - 4.9/10026=1, 3.6/11043=1 HD2 LYS 48 - QG2 ILE 83 lone 3 99 - 3 - HD3 LYS 48 - QG2 ILE 83 lone 3 81 - 3 - Peak 11043 from cnoeabs.peaks (1.39, 0.85, 16.44 ppm; 3.71 A): 6 out of 7 assignments used, quality = 0.88: HG LEU 116 + QG2 ILE 83 OK 44 92 - 48 - 10005/3.1=9, ~10021=7...(19) HG2 LYS 86 + QG2 ILE 83 OK 38 99 - 39 - 10005/3.1=6, 2705/3.2=5...(20) HG2 ARG 49 + QG2 ILE 83 OK 38 92 - 41 - 10005/3.1=6, ~11136=5...(20) HB2 ARG 109 + QG2 ILE 83 OK 21 68 - 31 - 3.6/11060=13...(9) HB2 LEU 69 + QG2 ILE 83 OK 18 81 - 22 - 4.6/10778=8, 10005/3.1=2...(5) HB2 ARG 35 + QG2 ILE 83 OK 17 85 - 20 - 10005/3.1=3, 1.8/2516=2 HD2 LYS 114 - QG2 ILE 83 poor 10 72 - 13 - 3.6/10659=3, 3.0/10026=3...(4) Peak 11044 from cnoeabs.peaks (2.00, 0.88, 16.73 ppm; 3.72 A): 6 out of 10 assignments used, quality = 0.77: QE MET 113 + QG2 ILE 136 OK 37 77 - 48 - 9332=14, 9331/3.0=11...(13) HB2 GLN 111 + QG2 ILE 136 OK 35 94 - 37 - 11023=6, 10341/3.0=6...(14) HG3 PRO 52 + QG2 ILE 136 OK 18 100 - 18 - 10341/3.0=2, 11023=2...(4) HB3 GLU 90 + QG2 ILE 136 OK 13 100 - 13 - 3.0/8958=6, ~8957=3...(4) QE MET 59 + QG2 ILE 136 OK 12 62 - 19 - 10466/3.0=2, 1635/2.1=2...(5) HG3 GLU 122 + QG2 ILE 136 OK 11 100 - 11 - 9457/9687=3, ~9691=1 QE MET 11 - QG2 ILE 136 lone 9 100 - 9 - 10341/3.0=2 HB VAL 63 - QG2 ILE 136 lone 5 68 - 8 - ~8352=1, ~9870=1 HB3 GLU 37 - QG2 ILE 136 lone 2 96 - 2 - HB2 GLU 37 - QG2 ILE 136 lone 2 89 - 2 - Peak 11045 from cnoeabs.peaks (0.66, 1.99, 15.64 ppm; 3.19 A): 0 out of 2 assignments used, low quality = 0.26: QD2 LEU 66 - QE MET 113 OK 26 81 - 32 - 2.1/9329=12, 4.0/9337=5...(8) QD2 LEU 39 - QE MET 113 lone 6 85 - 8 - 3.2/9334=2, 1912/9329=1 Peak 11046 from cnoeabs.peaks (2.20, 2.00, 16.64 ppm; 3.88 A): 2 out of 4 assignments used, quality = 0.56: HB3 PRO 12 + QE MET 11 OK 43 68 - 63 - 3.0/8016=18, 3.0/8017=18...(13) HB2 MET 46 + QE MET 11 OK 23 92 - 25 - 1.8/9763=16, 3.0/46=3...(5) HB2 MET 113 - QE MET 11 lone 7 92 - 8 - 3695=1, 1.8/3704=1 HG2 GLU 75 - QE MET 11 lone 5 98 - 5 - Peak 11047 from cnoeabs.peaks (8.43, 4.33, 63.12 ppm; 4.36 A): 0 out of 1 assignment used, low quality = 0.00: H LYS 61 - HA PRO 12 lone 4 96 - 4 - 3.8/71=3 Peak 11048 from cnoeabs.peaks (7.29, 1.76, 31.89 ppm; 5.36 A): 3 out of 4 assignments used, quality = 0.87: HZ2 TRP 17 + HB2 PRO 12 OK 74 96 - 77 - 2.8/10949=35, ~11252=22...(8) H PHE 67 + HB2 PRO 12 OK 33 100 - 33 - 9771/1.8=8, 10665/2.3=5...(10) QD TYR 115 + HB2 PRO 12 OK 23 62 - 38 - 2.2/4718=11, 9771/1.8=10...(6) QE PHE 106 - HB2 PRO 12 poor 9 88 - 10 - 10665/2.3=2, ~9231=2...(5) Peak 11049 from cnoeabs.peaks (7.28, 4.33, 63.12 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.85: HZ2 TRP 17 + HA PRO 12 OK 79 99 - 80 - ~10949=37, ~11252=32...(7) H PHE 67 + HA PRO 12 OK 29 85 - 34 - 9771/2.3=9, 9769/2.3=9...(6) QE PHE 106 - HA PRO 12 lone 8 100 - 8 - 11048/2.3=2, 10665/3.8=2 Peak 11051 from cnoeabs.peaks (2.43, 1.92, 27.30 ppm; 4.18 A): 4 out of 20 assignments used, quality = 0.96: HG2 MET 11 + HG2 PRO 12 OK 69 72 - 95 - 3.9/8019=25, ~8015=20...(22) HG2 MET 11 + HG3 PRO 12 OK 66 71 - 94 - ~8015=20, ~8012=18...(22) HB3 PRO 118 + HG2 PRO 12 OK 43 88 - 49 - 8001/2.3=7, 10666=7...(26) HB3 PRO 118 + HG3 PRO 12 OK 39 87 - 45 - 8001/2.3=7, 10666/1.8=6...(22) HG2 MET 68 - HG2 PRO 12 OK 19 99 - 20 - 10666=5, 8001/2.3=5...(6) HG2 MET 68 - HG3 PRO 12 OK 18 99 - 19 - 8001/2.3=5, 10666/1.8=4...(4) HG2 GLN 133 - HG2 PRO 12 lone 10 96 - 10 - 10666=2, 1.8/10666=2...(4) HB3 PRO 33 - HG2 PRO 12 poor 9 94 - 10 - 8014/2.3=3, 10666=3, 15/8019=2 HG3 GLN 133 - HG2 PRO 12 lone 9 94 - 10 - 10666=2, 1.8/10666=2...(4) HG2 GLN 47 - HG2 PRO 12 lone 9 100 - 9 - 10666=2, 1.8/10666=2...(4) HG3 GLN 47 - HG2 PRO 12 lone 9 100 - 9 - 10666=2, 1.8/10666=2...(4) HG2 GLN 133 - HG3 PRO 12 lone 9 95 - 9 - 10666/1.8=2, 8001/2.3=1...(4) HG3 GLN 133 - HG3 PRO 12 lone 8 93 - 9 - 10666/1.8=2, 8001/2.3=1...(4) HB3 PRO 33 - HG3 PRO 12 lone 8 93 - 9 - 8014/2.3=3, 10666/1.8=2 HG3 GLN 47 - HG3 PRO 12 lone 8 99 - 7 - 10666/1.8=2, 8001/2.3=1...(4) HG2 GLN 47 - HG3 PRO 12 lone 8 99 - 7 - 10666/1.8=2, 8001/2.3=1...(4) QE MET 46 - HG2 PRO 12 lone 6 85 - 7 - 10666=2 QE MET 46 - HG3 PRO 12 lone 4 83 - 5 - 10666/1.8=1 HG3 GLU 131 - HG2 PRO 12 lone 2 67 - 2 - HG3 GLU 131 - HG3 PRO 12 lone 1 66 - 2 - Peak 11052 from cnoeabs.peaks (2.67, 4.33, 63.12 ppm; 4.46 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11054 from cnoeabs.peaks (7.87, 2.93, 30.32 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.47: H PHE 38 + HB2 HIS 14 OK 47 99 - 47 - 10956/1.8=34, 10957/4.0=19 Peak 11057 from cnoeabs.peaks (1.99, 2.99, 30.32 ppm; 5.04 A): 0 out of 10 assignments used, low quality = 0.25: QE MET 11 - HB3 HIS 14 OK 25 72 - 35 - 10594/4.0=16...(3) QE MET 113 - HB3 HIS 14 lone 8 99 - 9 - 10670/1.8=7 HG3 GLU 122 - HB3 HIS 14 lone 5 62 - 8 - 4093/4.2=4, 10670/1.8=3 QE MET 59 - HB3 HIS 14 lone 4 100 - 4 - 10670/1.8=2 HB VAL 63 - HB3 HIS 14 lone 3 100 - 3 - 10670/1.8=2 HB2 GLN 111 - HB3 HIS 14 lone 3 91 - 3 - 10670/1.8=2 HG3 PRO 52 - HB3 HIS 14 lone 2 77 - 3 - 10670/1.8=1 HB2 GLU 142 - HB3 HIS 14 lone 2 98 - 2 - HB3 ARG 124 - HB3 HIS 14 lone 1 62 - 2 - HB3 GLU 75 - HB3 HIS 14 lone 1 72 - 1 - Peak 11058 from cnoeabs.peaks (8.44, 2.93, 30.32 ppm; 6.74 A): 0 out of 2 assignments used, low quality = 0.44: H LYS 61 - HB2 HIS 14 OK 44 75 - 59 - ~9820=15, ~9854=14...(13) H ASP 137 - HB2 HIS 14 lone 6 71 - 8 - 3.2/11458=4, 7769/3.9=2 Peak 11060 from cnoeabs.peaks (6.90, 7.22, 119.63 ppm; 3.39 A): 0 out of 4 assignments used, low quality = 0.00: HD2 HIS 14 - HE3 TRP 17 lone 1 99 - 1 - H LEU 29 - HE3 TRP 17 lone 1 89 - 1 - HE21 GLN 25 - HE3 TRP 17 lone 1 92 - 1 - HE21 GLN 22 - HE3 TRP 17 lone 0 100 - 0 - Peak 11061 from cnoeabs.peaks (4.16, 7.20, 120.15 ppm; 4.46 A): 4 out of 10 assignments used, quality = 0.86: HA TRP 88 + HE3 TRP 88 OK 70 85 - 82 - 5.1=68, 3.0/7019=22...(11) HA LEU 64 + HE3 TRP 88 OK 33 81 - 41 - 3.7/4781=16, 3.0/4782=10...(9) HA PHE 38 + HE3 TRP 88 OK 18 89 - 20 - 2.9/6235=3, 2822=3...(6) HA GLU 120 + HE3 TRP 88 OK 16 100 - 16 - 4.9/10303=6, 2822=2...(4) HA LYS 76 - HE3 TRP 88 lone 9 92 - 10 - 4.1/11063=5, 11715/8993=2 HG1 THR 74 - HE3 TRP 88 lone 8 85 - 10 - ~9935=2, 2840/4.2=1, 2830/4.2=1 HB3 SER 44 - HE3 TRP 88 lone 7 100 - 7 - 8991/8993=1 HB2 SER 44 - HE3 TRP 88 lone 7 100 - 7 - 8991/8993=1 HA LEU 126 - HE3 TRP 88 lone 2 81 - 2 - HA3 GLY 125 - HE3 TRP 88 lone 1 96 - 1 - Peak 11062 from cnoeabs.peaks (2.38, 7.20, 120.15 ppm; 5.42 A): 6 out of 7 assignments used, quality = 0.94: HB ILE 91 + HE3 TRP 88 OK 84 94 - 89 - ~8999=37, ~8995=23...(16) HG2 MET 46 + HE3 TRP 88 OK 27 92 - 30 - 4.1/10682=10...(6) HG3 GLU 37 + HE3 TRP 88 OK 15 100 - 15 - 2960/8993=2...(5) HG2 GLN 25 + HE3 TRP 88 OK 14 94 - 15 - 8361/4782=3...(6) HG2 MET 59 + HE3 TRP 88 OK 14 100 - 14 - 9265/10226=3, 2828/5.1=2...(5) HG3 MET 59 + HE3 TRP 88 OK 13 94 - 14 - 9265/10226=3, 2828/5.1=2...(5) HG3 MET 11 - HE3 TRP 88 lone 7 98 - 7 - 9024/11063=1 Peak 11063 from cnoeabs.peaks (1.16, 7.20, 120.15 ppm; 5.21 A): 4 out of 4 assignments used, quality = 0.91: QD1 LEU 69 + HE3 TRP 88 OK 68 96 - 71 - 8458/2.5=44, 9888/4.3=30...(11) HG2 LYS 76 + HE3 TRP 88 OK 38 99 - 39 - 4.1/4779=14, 9942/9975=7...(8) HB2 LEU 72 + HE3 TRP 88 OK 33 96 - 34 - 11067/2.5=8, 3.1/11064=7...(11) QG2 THR 92 + HE3 TRP 88 OK 33 96 - 34 - 3.9/9004=6, 11067/2.5=6...(12) Peak 11064 from cnoeabs.peaks (0.76, 7.20, 120.15 ppm; 4.65 A): 3 out of 5 assignments used, quality = 0.95: QG2 VAL 73 + HE3 TRP 88 OK 79 100 - 79 - 8555/2.5=44, 8556/4.3=30...(11) QD1 LEU 108 + HE3 TRP 88 OK 59 81 - 73 - 9916/2.5=26...(14) QD1 LEU 72 + HE3 TRP 88 OK 44 100 - 44 - 8541/8993=6, 10168/5.1=5...(16) QD2 LEU 72 - HE3 TRP 88 OK 38 99 - 39 - 8542/8993=6, 8932/5.1=6...(14) QD1 ILE 136 - HE3 TRP 88 OK 31 100 - 31 - 9668/4.2=7, 9669/4.2=7...(7) Peak 11065 from cnoeabs.peaks (0.92, 7.20, 120.15 ppm; 4.83 A): 2 out of 7 assignments used, quality = 0.96: QG2 ILE 91 + HE3 TRP 88 OK 88 96 - 91 - 8999/2.5=43...(18) HB2 LEU 108 + HE3 TRP 88 OK 68 92 - 74 - 10547/2.5=25...(12) HB2 LEU 64 - HE3 TRP 88 OK 44 100 - 44 - 3.0/4781=21, 10239/5.1=9...(8) QG2 VAL 63 - HE3 TRP 88 OK 21 96 - 22 - 8353/4781=6, 2989/8993=2...(6) QD2 LEU 29 - HE3 TRP 88 OK 17 96 - 18 - 8074/4781=5, 10239/5.1=3...(5) QG1 VAL 63 - HE3 TRP 88 OK 11 68 - 17 - ~8946=2, 8929/5.1=2...(5) QG1 VAL 53 - HE3 TRP 88 poor 7 62 - 11 - 9838/5.0=2, 2981/8997=2...(5) Peak 11066 from cnoeabs.peaks (1.07, 7.20, 120.15 ppm; 5.78 A): 0 out of 2 assignments used, low quality = 0.45: HG2 ARG 35 - HE3 TRP 88 OK 30 99 - 30 - 10880=6, 3.9/589=5...(8) QD2 LEU 26 - HE3 TRP 88 OK 22 100 - 22 - 10880=5, 3.8/10889=4...(6) Peak 11067 from cnoeabs.peaks (1.16, 6.53, 121.14 ppm; 5.69 A): 4 out of 4 assignments used, quality = 0.91: QD1 LEU 69 + HZ3 TRP 88 OK 64 85 - 75 - 8458=37, 9888/2.4=36...(9) HB2 LEU 72 + HZ3 TRP 88 OK 42 85 - 49 - 11063/2.5=8, 3.1/8945=7...(15) HG2 LYS 76 + HZ3 TRP 88 OK 33 92 - 36 - 9942/9984=11...(6) QG2 THR 92 + HZ3 TRP 88 OK 33 100 - 33 - 8971/8999=9, 11063/2.5=8...(8) Peak 11068 from cnoeabs.peaks (7.21, 7.00, 124.28 ppm; 4.36 A): 1 out of 5 assignments used, quality = 1.00: HE3 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 4.3=100 QD PHE 45 - HH2 TRP 17 OK 11 94 - 11 - 4522/2.4=5, 2.2/5588=4 H GLU 37 - HH2 TRP 17 lone 7 100 - 7 - 4522/2.4=6 HE3 TRP 88 - HH2 TRP 17 lone 1 68 - 1 - QD TYR 27 - HH2 TRP 17 lone 1 72 - 1 - Peak 11069 from cnoeabs.peaks (7.45, 1.97, 31.29 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.67: H LEU 126 + HB3 ARG 124 OK 67 77 - 88 - 7569/4.6=34...(13) Peak 11070 from cnoeabs.peaks (0.78, 1.66, 26.40 ppm; 3.44 A): 2 out of 5 assignments used, quality = 0.96: QD2 LEU 126 + HG2 ARG 124 OK 85 94 - 90 - 2.1/11071=20, ~11072=14...(42) QD1 LEU 79 + HG2 ARG 124 OK 71 100 - 71 - ~9478=11, 10677/1.8=8...(29) QD2 LEU 95 - HG2 ARG 124 OK 31 96 - 32 - 10677/1.8=3, 2.1/3145=3...(12) QG2 THR 74 - HG2 ARG 124 OK 22 100 - 22 - 4.0/4230=4, 10677/1.8=3...(9) QG1 VAL 80 - HG2 ARG 124 OK 18 72 - 25 - 10677/1.8=4, 9954/3.8=3...(9) Peak 11071 from cnoeabs.peaks (0.64, 1.66, 26.40 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 126 + HG2 ARG 124 OK 97 100 - 97 - 11072/1.8=29...(41) QD2 LEU 64 - HG2 ARG 124 OK 30 92 - 33 - 11072/1.8=8, 9482/3.0=6...(9) Peak 11072 from cnoeabs.peaks (0.64, 1.58, 26.40 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 126 + HG3 ARG 124 OK 95 98 - 98 - 11071/1.8=29...(41) QD2 LEU 64 - HG3 ARG 124 OK 26 81 - 32 - 11071/1.8=9, 9482/3.0=6...(9) Peak 11073 from cnoeabs.peaks (0.80, 1.58, 26.40 ppm; 3.52 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 126 + HG3 ARG 124 OK 89 96 - 92 - 2.1/11072=21, ~11071=14...(42) QD1 LEU 79 + HG3 ARG 124 OK 42 62 - 67 - ~9478=12, 2.1/10676=7...(28) QG1 VAL 80 + HG3 ARG 124 OK 41 100 - 41 - 9490/4.9=7, 9481/3.0=6...(11) QG2 THR 74 - HG3 ARG 124 OK 15 72 - 21 - 4.0/4239=4, 9484/3.0=2...(8) Peak 11074 from cnoeabs.peaks (1.46, 3.30, 41.21 ppm; 4.82 A): 1 out of 6 assignments used, quality = 0.96: HG LEU 126 + HD2 ARG 124 OK 96 98 - 98 - 2.1/10254=24...(34) HB3 LEU 66 - HD2 ARG 124 OK 30 94 - 32 - 1.8/4245=4, 7543/6.2=3...(18) HB2 LYS 76 - HD2 ARG 124 OK 20 100 - 20 - 10679/1.8=8, 2.9/9486=3...(6) HG3 LYS 86 - HD2 ARG 124 OK 16 85 - 19 - 11075/1.8=4, 3.0/4242=2...(7) HB3 LYS 123 - HD2 ARG 124 OK 14 94 - 15 - 4.2/7555=9, 10671/5.2=2 HG2 LYS 48 - HD2 ARG 124 lone 9 85 - 10 - 3.0/10750=1 Peak 11075 from cnoeabs.peaks (1.47, 3.22, 41.21 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.96: HG LEU 126 + HD3 ARG 124 OK 96 98 - 98 - 2.1/10255=28...(33) HG3 LYS 86 - HD3 ARG 124 OK 19 100 - 19 - 11074/1.8=3, 3.0/4251=2...(8) HB2 LYS 76 - HD3 ARG 124 OK 14 85 - 17 - 11074/1.8=3...(6) QB ALA 134 - HD3 ARG 124 lone 4 81 - 5 - 10678/1.8=1, 9637/3.0=1 Peak 11076 from cnoeabs.peaks (4.25, 1.84, 41.41 ppm; 6.03 A): 4 out of 6 assignments used, quality = 0.74: HA GLU 142 + HB3 LEU 126 OK 46 96 - 48 - 10680/1.8=22...(7) HA ALA 135 + HB3 LEU 126 OK 36 94 - 38 - 10680/1.8=16, ~9627=8...(5) HB THR 92 + HB3 LEU 126 OK 13 81 - 16 - 10680/1.8=5, 4.7/7088=5 HB THR 99 + HB3 LEU 126 OK 13 81 - 16 - 11077/1.8=5, ~10164=4, ~10123=4 HA SER 138 - HB3 LEU 126 lone 6 85 - 7 - 11077/1.8=3 HA2 GLY 50 - HB3 LEU 126 lone 3 92 - 4 - 10680/1.8=2 Peak 11077 from cnoeabs.peaks (4.26, 1.57, 41.41 ppm; 5.55 A): 4 out of 7 assignments used, quality = 0.67: HA ALA 135 + HB2 LEU 126 OK 31 100 - 31 - 11076/1.8=10, ~9627=8...(5) HA GLU 142 + HB2 LEU 126 OK 28 81 - 35 - 11076/1.8=13...(6) HA LEU 95 + HB2 LEU 126 OK 23 77 - 30 - 10253/3.1=6, ~10257=5...(9) HB THR 99 + HB2 LEU 126 OK 13 96 - 13 - ~10164=4, 11076/1.8=4...(4) HA SER 138 - HB2 LEU 126 lone 7 98 - 7 - 10344/4277=2...(3) HA2 GLY 50 - HB2 LEU 126 lone 3 100 - 3 - HA ARG 49 - HB2 LEU 126 lone 1 72 - 2 - Peak 11078 from cnoeabs.peaks (3.32, 0.64, 24.26 ppm; 4.60 A): 4 out of 4 assignments used, quality = 0.84: HD2 ARG 124 + QD1 LEU 126 OK 60 62 - 97 - 3.0/11071=28...(30) HB3 PHE 38 + QD1 LEU 126 OK 34 94 - 36 - 2.6/4739=15, 4.5/9784=12...(5) HD3 ARG 109 + QD1 LEU 126 OK 31 77 - 40 - 5.2/9272=8, 3.0/4300=4...(16) HB2 TRP 88 + QD1 LEU 126 OK 11 68 - 16 - 1.8/9839=4, 10682/2.1=2...(5) Peak 11079 from cnoeabs.peaks (3.19, 0.64, 24.26 ppm; 5.68 A): 5 out of 6 assignments used, quality = 0.94: HA VAL 73 + QD1 LEU 126 OK 91 100 - 91 - 3.2/10249=46...(17) HD3 ARG 55 + QD1 LEU 126 OK 13 100 - 13 - 2174/10338=3...(3) HD3 ARG 144 + QD1 LEU 126 OK 12 100 - 12 - 8804/10339=3...(4) HD2 ARG 144 + QD1 LEU 126 OK 11 96 - 12 - 8804/10339=3...(4) HD2 ARG 55 + QD1 LEU 126 OK 10 89 - 11 - 2174/10338=2...(3) HD2 ARG 141 - QD1 LEU 126 lone 6 77 - 7 - 3.0/10257=2, 1.8/10255=1 Peak 11081 from cnoeabs.peaks (1.97, 1.46, 27.00 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.96: HB3 ARG 124 + HG LEU 126 OK 96 100 - 96 - 9495/2.1=18, ~9482=16...(42) HB3 GLU 75 - HG LEU 126 OK 28 99 - 28 - 9495/2.1=6, 4.4/6812=5...(8) HB2 GLU 142 - HG LEU 126 OK 20 77 - 26 - ~10680=5, 9495/2.1=4...(7) HB2 LYS 34 - HG LEU 126 lone 9 89 - 10 - 9495/2.1=3, 11082/5.2=1 HB3 MET 11 - HG LEU 126 lone 8 85 - 10 - 9495/2.1=3, 11082/5.2=1 HB2 LYS 61 - HG LEU 126 lone 1 62 - 2 - Peak 11085 from cnoeabs.peaks (7.85, 4.73, 54.64 ppm; 3.73 A): 0 out of 4 assignments used, low quality = 0.29: H TYR 119 - HA LEU 116 OK 29 100 - 29 - 9419/3.0=20, 2.8/11110=7 H ALA 135 - HA LEU 116 lone 4 100 - 4 - ~10443=2 H ARG 55 - HA LEU 116 lone 1 72 - 1 - H TRP 17 - HA LEU 116 lone 0 62 - 0 - Peak 11086 from cnoeabs.peaks (0.53, 1.04, 44.17 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.64: QD1 LEU 42 + HB2 LEU 116 OK 64 68 - 95 - ~9392=47, ~10230=26...(21) Peak 11087 from cnoeabs.peaks (6.32, 1.01, 24.27 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.87: QD TYR 119 + QD2 LEU 116 OK 87 100 - 88 - 2.2/9400=41, 10686=39...(13) Peak 11089 from cnoeabs.peaks (1.73, 1.01, 24.27 ppm; 4.72 A): 2 out of 9 assignments used, quality = 0.96: HG LEU 66 + QD2 LEU 116 OK 92 99 - 93 - 3.7/8390=20, 2.1/9856=18...(31) HD2 LYS 36 + QD2 LEU 116 OK 53 99 - 54 - 3.6/9378=9, 2.9/3898=7...(18) HB3 ARG 109 - QD2 LEU 116 OK 40 96 - 41 - ~9273=8, 2.8/11090=6...(18) HG3 ARG 140 - QD2 LEU 116 OK 37 77 - 48 - ~11091=11, 1.8/10231=10...(10) HB2 ARG 49 - QD2 LEU 116 OK 21 72 - 29 - 10691/2.1=5, 3.0/3884=4...(13) HB3 GLU 81 - QD2 LEU 116 OK 14 100 - 14 - ~10691=3, ~8785=1...(5) HG3 ARG 89 - QD2 LEU 116 OK 14 100 - 14 - ~11091=5, ~10694=2...(4) HB3 ARG 144 - QD2 LEU 116 lone 10 100 - 10 - 1.8/9378=3, ~10295=1 HB2 GLU 81 - QD2 LEU 116 poor 9 81 - 11 - 10691/2.1=3, 8785/3.2=1 Peak 11090 from cnoeabs.peaks (1.56, 1.01, 24.27 ppm; 4.06 A): 6 out of 10 assignments used, quality = 0.92: HB2 LEU 66 + QD2 LEU 116 OK 81 94 - 86 - 3.0/8390=19, 3.1/9856=15...(33) HG2 ARG 109 + QD2 LEU 116 OK 26 100 - 26 - ~9273=5, 2.8/11089=3...(10) HG3 ARG 109 + QD2 LEU 116 OK 15 62 - 23 - ~9273=5, 2.8/11089=3...(7) HB2 LEU 126 + QD2 LEU 116 OK 11 98 - 12 - 3.1/10297=4, 1.8/9378=1 HB3 LEU 79 + QD2 LEU 116 OK 11 68 - 16 - 3.0/9376=4, ~9373=3...(6) HD2 LYS 85 + QD2 LEU 116 OK 11 100 - 11 - 2.9/10290=2, 2.9/10290=2 HD3 LYS 85 - QD2 LEU 116 lone 8 81 - 10 - 2.9/10290=2, 2.9/10290=2 HG3 ARG 124 - QD2 LEU 116 lone 7 72 - 9 - 1.8/10231=2, 10689/2.1=1 HG3 ARG 145 - QD2 LEU 116 lone 3 100 - 3 - HG2 ARG 145 - QD2 LEU 116 lone 3 98 - 3 - Peak 11091 from cnoeabs.peaks (3.24, 0.99, 27.97 ppm; 5.30 A): 3 out of 3 assignments used, quality = 0.53: HD2 ARG 140 + QD1 LEU 116 OK 37 68 - 56 - 2.9/10691=12, 10694=10...(15) HD3 ARG 89 + QD1 LEU 116 OK 15 100 - 15 - 10694=3, 3.5/10229=3...(6) HD2 ARG 89 + QD1 LEU 116 OK 11 81 - 14 - 1.8/10694=4, 3.5/10229=3...(4) Peak 11092 from cnoeabs.peaks (0.24, 1.01, 24.27 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.72: QG2 VAL 71 + QD2 LEU 116 OK 72 100 - 73 - 10698=34, 10699/2.1=15...(14) Peak 11093 from cnoeabs.peaks (2.77, 1.01, 24.27 ppm; 4.36 A): 5 out of 7 assignments used, quality = 0.84: HB3 TYR 119 + QD2 LEU 116 OK 58 77 - 76 - 2.7/11087=37...(10) HE2 LYS 114 + QD2 LEU 116 OK 38 81 - 46 - 4.9/10231=9, 3.0/3898=7...(14) HE3 LYS 76 + QD2 LEU 116 OK 17 92 - 19 - 7.4/10222=3, ~9374=2 HB2 ASP 41 + QD2 LEU 116 OK 16 100 - 16 - 4.5/10733=11, 8148/8143=1 HE2 LYS 76 + QD2 LEU 116 OK 12 77 - 16 - 7.4/10222=3 HG3 GLN 111 - QD2 LEU 116 poor 9 85 - 11 - 3.9/10180=2, ~10229=2...(4) HB3 ASN 84 - QD2 LEU 116 poor 9 81 - 12 - ~9374=3, 4001/11087=3...(4) Peak 11094 from cnoeabs.peaks (2.42, 1.40, 26.69 ppm; 5.20 A): 2 out of 8 assignments used, quality = 0.73: QE MET 46 + HG LEU 116 OK 65 100 - 65 - 10492/2.1=14...(14) HB3 PRO 118 + HG LEU 116 OK 22 100 - 22 - ~9372=5, ~10292=4...(6) HG3 GLN 133 - HG LEU 116 lone 6 99 - 6 - 10232/2.1=2, ~10232=1 HG2 GLN 133 - HG LEU 116 lone 6 98 - 6 - 10232/2.1=2, ~10232=1 HG3 GLN 25 - HG LEU 116 lone 5 62 - 8 - ~9403=2, ~9399=2, 10232/2.1=1 HG2 MET 68 - HG LEU 116 lone 4 68 - 6 - 4.4/8440=3 HG2 GLN 47 - HG LEU 116 lone 3 89 - 4 - HG3 GLN 47 - HG LEU 116 lone 3 89 - 4 - Peak 11095 from cnoeabs.peaks (2.70, 1.40, 26.69 ppm; 6.19 A): 2 out of 7 assignments used, quality = 0.93: HB3 TYR 115 + HG LEU 116 OK 89 92 - 96 - 4.7/3878=39, ~9366=32...(21) HB2 PHE 43 + HG LEU 116 OK 39 77 - 50 - 9377/2.1=13, ~4816=12...(7) HB2 ASP 32 - HG LEU 116 OK 21 98 - 22 - 10806/2.1=10, 7438/4.9=4 HB2 ASP 137 - HG LEU 116 OK 20 100 - 20 - 9377/2.1=4, ~9374=3...(6) HB3 ASP 13 - HG LEU 116 OK 14 72 - 20 - 3853/4.9=7, 9377/2.1=4...(4) HB3 CYS 121 - HG LEU 116 OK 10 81 - 13 - 10920/11029=4...(4) HB3 ASP 16 - HG LEU 116 lone 10 100 - 9 - 3853/4.9=2, 9374/2.1=2 Peak 11096 from cnoeabs.peaks (2.97, 1.40, 26.69 ppm; 5.57 A): 3 out of 6 assignments used, quality = 0.89: HA VAL 71 + HG LEU 116 OK 82 98 - 84 - ~11092=31, ~10698=28...(13) HB3 PHE 67 + HG LEU 116 OK 24 62 - 38 - ~10222=11, ~11525=7...(8) HB3 TYR 27 + HG LEU 116 OK 17 100 - 17 - 10224/2.1=2, ~8044=2...(7) HA VAL 82 - HG LEU 116 poor 8 62 - 13 - ~8809=3, ~8809=2...(6) HB2 ASP 30 - HG LEU 116 lone 7 81 - 9 - 4.4/3885=4, 10224/2.1=1 HB2 PHE 106 - HG LEU 116 lone 5 62 - 8 - 5.8/10720=2, 3434/10720=1 Peak 11097 from cnoeabs.peaks (0.36, 3.08, 61.73 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.46: HG2 LYS 123 + HA TYR 119 OK 46 62 - 74 - 1.8/11098=20...(11) Peak 11098 from cnoeabs.peaks (0.40, 3.08, 61.73 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 132 + HA TYR 119 OK 79 96 - 82 - 10704=36, 3.8/11039=24...(20) HG3 LYS 123 + HA TYR 119 OK 56 77 - 72 - 1.8/11097=34...(12) Peak 11099 from cnoeabs.peaks (4.75, 2.90, 38.04 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.43: HA TYR 117 - HB2 TYR 119 OK 43 99 - 43 - 8158/11106=23...(4) Peak 11100 from cnoeabs.peaks (4.74, 2.78, 38.04 ppm; 5.98 A): 2 out of 4 assignments used, quality = 0.64: HA TYR 117 + HB3 TYR 119 OK 40 94 - 42 - 11099/1.8=23...(4) HA LEU 116 + HB3 TYR 119 OK 40 72 - 55 - 11085/3.9=23...(4) HA TYR 117 - HB3 ASN 84 poor 10 90 - 11 - 8158/8148=6...(3) HA LEU 116 - HB3 ASN 84 lone 6 68 - 8 - 11110/3983=2...(3) Peak 11101 from cnoeabs.peaks (1.47, 2.90, 38.04 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.38: QB ALA 134 - HB2 TYR 119 OK 22 99 - 23 - 3.7/3990=12, 4578/3.9=9 HB3 LEU 29 - HB2 TYR 119 OK 20 77 - 26 - ~10533=8, 3.1/11102=7...(6) HG LEU 126 - HB2 TYR 119 lone 4 77 - 5 - ~9839=1, 1917/11103=1 HG13 ILE 101 - HB2 TYR 119 lone 4 62 - 6 - ~9185=2 HG3 LYS 86 - HB2 TYR 119 lone 3 94 - 3 - Peak 11102 from cnoeabs.peaks (0.97, 2.90, 38.04 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.75: QD1 LEU 116 + HB2 TYR 119 OK 56 62 - 90 - ~11087=46, ~10686=45...(9) HB2 LEU 39 + HB2 TYR 119 OK 26 96 - 28 - 3.2/11103=18...(3) QD1 LEU 29 + HB2 TYR 119 OK 23 72 - 32 - 3.1/11101=14, ~10533=9...(6) QG2 THR 51 - HB2 TYR 119 lone 5 62 - 8 - 8216/3.0=1 HG3 ARG 35 - HB2 TYR 119 lone 5 67 - 7 - 4.5/10795=3 Peak 11103 from cnoeabs.peaks (0.66, 2.90, 38.04 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.35: QD2 LEU 66 - HB2 TYR 119 OK 20 81 - 24 - 10711=11, 11158/4.5=9 QD2 LEU 39 - HB2 TYR 119 OK 19 85 - 23 - 3.2/11102=9...(4) Peak 11104 from cnoeabs.peaks (1.52, 2.78, 38.04 ppm; 5.53 A): 3 out of 16 assignments used, quality = 0.97: QB ALA 135 + HB3 ASN 84 OK 85 97 - 87 - 9659/3.5=45...(10) HG3 LYS 85 + HB3 ASN 84 OK 56 94 - 60 - 5.1/6955=27...(9) HB2 LYS 123 + HB3 TYR 119 OK 47 89 - 53 - ~11607=22, ~11097=17...(7) HG3 LYS 76 - HB3 ASN 84 OK 42 97 - 43 - 10042/3.0=6, 8845/3.5=6...(12) QB ALA 135 - HB3 TYR 119 OK 41 100 - 42 - 4587/3.9=8, ~3990=8...(11) HD2 LYS 76 - HB3 ASN 84 OK 38 92 - 42 - 8851/1.8=6, 8845/3.5=6...(11) HB2 LEU 29 - HB3 TYR 119 OK 25 100 - 25 - ~11101=9, 3.0/10533=6...(4) HB2 LYS 123 - HB3 ASN 84 OK 23 84 - 27 - 3.0/2561=5, ~2553=4...(8) HB2 LEU 29 - HB3 ASN 84 OK 22 98 - 22 - 3.0/10533=6, 10043/1.8=3...(8) HG3 LYS 85 - HB3 TYR 119 OK 21 98 - 22 - 5.1/6955=6, 3988/3.0=3...(6) HG2 LYS 93 - HB3 ASN 84 OK 21 97 - 21 - 6962/4.7=5, 10043/1.8=3...(7) HG3 PRO 57 - HB3 ASN 84 OK 12 90 - 13 - 10034/3.0=2, 6962/4.7=2...(6) HG3 LYS 76 - HB3 TYR 119 OK 11 100 - 11 - 3988/3.0=3 HD2 LYS 76 - HB3 TYR 119 lone 9 96 - 9 - ~3988=2 HG2 LYS 93 - HB3 TYR 119 lone 9 100 - 9 - 3988/3.0=1 HG3 PRO 57 - HB3 TYR 119 lone 6 94 - 6 - 3988/3.0=1 Peak 11105 from cnoeabs.peaks (0.52, 2.78, 38.04 ppm; 5.53 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 42 + HB3 TYR 119 OK 98 100 - 98 - 8160/2.7=49...(15) QD1 LEU 42 + HB3 ASN 84 OK 51 98 - 52 - 8148=16, ~8852=10...(13) Peak 11106 from cnoeabs.peaks (0.52, 2.90, 38.04 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 42 + HB2 TYR 119 OK 95 99 - 95 - 8160/2.7=45, 9421/3.0=34...(15) Peak 11107 from cnoeabs.peaks (0.81, 2.78, 38.04 ppm; 6.57 A): 3 out of 6 assignments used, quality = 0.98: HG LEU 42 + HB3 TYR 119 OK 88 89 - 99 - ~8160=45, ~8160=45...(17) QG1 VAL 80 + HB3 ASN 84 OK 58 81 - 72 - 8765/3.5=33, 8766/3.5=27...(6) QD1 LEU 95 + HB3 ASN 84 OK 55 81 - 68 - 8847/3.5=27, 8849/3.5=19...(9) HG LEU 42 - HB3 ASN 84 OK 42 84 - 50 - 2.1/11105=16...(6) QD1 LEU 95 - HB3 TYR 119 OK 18 85 - 21 - 950/11105=6, 934/9435=4...(7) QG1 VAL 80 - HB3 TYR 119 OK 12 85 - 14 - 8765/2566=3, 8766/2567=2...(5) Peak 11108 from cnoeabs.peaks (9.07, 2.90, 38.04 ppm; 5.63 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11109 from cnoeabs.peaks (9.04, 2.78, 38.04 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.95: H GLU 120 + HB3 TYR 119 OK 89 89 - 100 - 4.4=100 H GLU 120 + HB3 ASN 84 OK 51 84 - 61 - 5.0/4001=15, 4.4/3999=14...(10) Peak 11110 from cnoeabs.peaks (4.74, 3.08, 61.73 ppm; 6.14 A): 2 out of 3 assignments used, quality = 0.76: HA LEU 116 + HA TYR 119 OK 66 94 - 70 - 11085/2.8=39, ~9419=29...(5) HA TYR 117 + HA TYR 119 OK 29 72 - 40 - 11100/3.0=15...(6) HA THR 51 - HA TYR 119 lone 3 72 - 4 - 3.2/8216=1 Peak 11113 from cnoeabs.peaks (0.66, 2.95, 41.04 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.78: QD2 LEU 66 + HB2 TYR 115 OK 70 77 - 91 - 2.1/9367=28, 4750/2.5=23...(21) QD2 LEU 39 + HB2 TYR 115 OK 28 81 - 34 - 4750/2.5=12...(10) Peak 11114 from cnoeabs.peaks (2.30, 3.45, 37.52 ppm; 6.47 A): 0 out of 6 assignments used, low quality = 0.11: HG3 GLU 75 - HB2 TYR 117 OK 11 77 - 14 - 2231/3.9=5, 5.0/3908=4 HG3 GLN 62 - HB2 TYR 117 lone 4 85 - 4 - 8345/10298=2 HG2 GLU 120 - HB2 TYR 117 lone 4 100 - 4 - HG2 GLN 62 - HB2 TYR 117 lone 3 72 - 4 - 8345/10298=2 HG3 GLU 120 - HB2 TYR 117 lone 2 68 - 3 - HG3 GLU 81 - HB2 TYR 117 lone 2 68 - 3 - Peak 11115 from cnoeabs.peaks (1.90, 1.38, 29.64 ppm; 4.76 A): 6 out of 11 assignments used, quality = 0.87: HB3 LEU 69 + HB2 ARG 109 OK 56 96 - 58 - 11118/1.8=10, 2022=7...(20) HB3 ARG 89 + HB2 ARG 109 OK 45 100 - 45 - 11118/1.8=9, 2.8/3533=6...(14) HG13 ILE 83 + HB2 ARG 109 OK 22 62 - 35 - 2.1/9273=14, 11118/1.8=5...(7) HB ILE 136 + HB2 ARG 109 OK 15 72 - 20 - ~9271=4, 11118/1.8=3...(5) HB3 LYS 93 + HB2 ARG 109 OK 12 92 - 13 - 4.7/3538=3, 3044/4.6=1 QE MET 68 + HB2 ARG 109 OK 11 92 - 13 - 8414/10233=2...(3) HB2 LYS 24 - HB2 ARG 109 lone 5 100 - 5 - 11118/1.8=1 HB ILE 101 - HB2 ARG 109 lone 4 100 - 4 - 11118/1.8=1 HB3 ARG 140 - HB2 ARG 109 lone 4 94 - 4 - HB3 GLN 111 - HB2 ARG 109 lone 3 100 - 3 - HB3 ARG 141 - HB2 ARG 109 lone 2 81 - 2 - Peak 11117 from cnoeabs.peaks (1.28, 1.72, 29.64 ppm; 4.94 A): 4 out of 5 assignments used, quality = 0.76: HG2 LYS 61 + HB3 ARG 109 OK 46 77 - 59 - 3.8/3541=10, ~1661=7...(24) HG12 ILE 58 + HB3 ARG 109 OK 33 92 - 36 - ~8286=6, ~8286=6...(12) HG13 ILE 58 + HB3 ARG 109 OK 26 72 - 36 - ~8286=6, ~8286=6...(12) QB ALA 104 + HB3 ARG 109 OK 12 99 - 12 - 9198/3.6=5, 10088/10096=3 QG2 THR 102 - HB3 ARG 109 lone 2 89 - 2 - Peak 11118 from cnoeabs.peaks (1.91, 1.72, 29.64 ppm; 3.71 A): 5 out of 13 assignments used, quality = 0.81: HB3 LEU 69 + HB3 ARG 109 OK 39 100 - 39 - 11115/1.8=6, 1.8/3542=6...(18) HB3 ARG 89 + HB3 ARG 109 OK 36 96 - 37 - 2871=6, 11115/1.8=5...(14) HB2 LYS 86 + HB3 ARG 109 OK 31 85 - 36 - ~10745=5, 3.0/3539=3...(19) HG13 ILE 83 + HB3 ARG 109 OK 21 92 - 23 - ~9273=6, ~9273=4...(7) HB ILE 136 + HB3 ARG 109 OK 12 96 - 13 - ~9271=2, ~9688=2...(5) QE MET 68 - HB3 ARG 109 lone 6 100 - 6 - 11115/1.8=1 HB3 LYS 93 - HB3 ARG 109 lone 5 62 - 9 - 4.7/3548=2, 11115/1.8=1 HB ILE 101 - HB3 ARG 109 lone 4 98 - 4 - HB2 LYS 24 - HB3 ARG 109 lone 4 96 - 4 - HB2 PRO 118 - HB3 ARG 109 lone 3 62 - 5 - ~11702=4 HB3 ARG 140 - HB3 ARG 109 lone 3 68 - 4 - HB3 GLN 111 - HB3 ARG 109 lone 2 92 - 2 - HB2 MET 59 - HB3 ARG 109 lone 1 72 - 1 - Peak 11119 from cnoeabs.peaks (7.51, 1.38, 29.64 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.40: HE ARG 49 - HB2 ARG 109 OK 25 62 - 39 - 11120/1.8=20, 2.9/1296=5...(8) HE22 GLN 25 - HB2 ARG 109 OK 21 89 - 23 - 11120/1.8=15, 8393/1880=4 Peak 11120 from cnoeabs.peaks (7.50, 1.72, 29.64 ppm; 6.05 A): 3 out of 3 assignments used, quality = 0.53: HE ARG 49 + HB3 ARG 109 OK 28 81 - 34 - 11119/1.8=18, ~1296=4...(6) HE22 GLN 25 + HB3 ARG 109 OK 21 98 - 21 - 11119/1.8=15, 8393/1875=4 H TYR 70 + HB3 ARG 109 OK 17 62 - 28 - 4.6/11118=10, 4.6/3542=6...(6) Peak 11121 from cnoeabs.peaks (6.45, 1.38, 29.64 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11122 from cnoeabs.peaks (5.07, 3.11, 43.65 ppm; 4.69 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11123 from cnoeabs.peaks (5.13, 3.30, 43.65 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11124 from cnoeabs.peaks (6.82, 3.30, 43.65 ppm; 5.95 A): 2 out of 4 assignments used, quality = 0.97: HZ2 TRP 88 + HD3 ARG 109 OK 94 98 - 96 - 2.5/10739=39...(26) QD PHE 67 + HD3 ARG 109 OK 54 100 - 54 - 10741=13, 10233/3.6=10...(11) HE21 GLN 133 - HD3 ARG 109 poor 9 81 - 11 - 9665/10333=5, 9664/9668=3 HD21 ASN 96 - HD3 ARG 109 lone 4 62 - 6 - ~7146=1, 3.5/3582=1 Peak 11125 from cnoeabs.peaks (6.83, 3.11, 43.65 ppm; 5.28 A): 2 out of 9 assignments used, quality = 0.93: HZ2 TRP 88 + HD2 ARG 109 OK 89 100 - 89 - ~10739=25, 9267/5.2=21...(19) QD PHE 67 + HD2 ARG 109 OK 42 98 - 43 - 10741/1.8=12...(7) HZ2 TRP 88 - HD2 ARG 145 OK 19 80 - 24 - 9267/3568=3...(12) HZ2 TRP 88 - HD3 ARG 145 OK 18 77 - 24 - 9267/3568=3...(12) HD22 ASN 54 - HD2 ARG 109 OK 18 77 - 23 - 10235/3.0=5, 9267/5.2=5...(5) QD PHE 67 - HD2 ARG 145 lone 7 76 - 9 - 10235/3564=1, 10741/3582=1 QD PHE 67 - HD3 ARG 145 lone 7 73 - 9 - 10235/3564=1, 10741/3582=1 HD22 ASN 54 - HD2 ARG 145 lone 3 55 - 4 - HD22 ASN 54 - HD3 ARG 145 lone 2 53 - 4 - Peak 11126 from cnoeabs.peaks (7.35, 3.30, 43.65 ppm; 6.49 A): 1 out of 3 assignments used, quality = 0.98: H ARG 109 + HD3 ARG 109 OK 98 98 - 100 - 5.7=100 QD PHE 43 - HD3 ARG 109 OK 36 100 - 35 - 3517/5.2=8, 3558/3.0=8...(7) H GLY 77 - HD3 ARG 109 poor 9 81 - 11 - 8673/10254=3, 10777/11060=3 Peak 11127 from cnoeabs.peaks (3.83, 3.11, 43.65 ppm; 4.76 A): 5 out of 24 assignments used, quality = 0.63: HA LEU 66 + HD2 ARG 109 OK 39 92 - 43 - 1875/3.6=6, 1880/3.6=6...(15) HA ALA 104 + HD2 ARG 109 OK 14 92 - 15 - 3.6/7228=5, 2.1/9198=3 HA GLN 133 + HD2 ARG 109 OK 12 100 - 12 - 10431/3.6=2, 4.9/11039=2...(4) HD2 PRO 118 + HD2 ARG 109 OK 12 100 - 12 - 11702/5.2=8 HA LEU 66 + HD2 ARG 145 OK 10 69 - 14 - 1873/3.0=1, 1873/3.0=1 HA LEU 66 - HD3 ARG 145 poor 10 66 - 14 - 1873/3.0=1, 1873/3.0=1 HA ALA 104 - HD2 ARG 145 lone 7 69 - 10 - 3.6/7228=1 HA3 GLY 50 - HD2 ARG 145 poor 7 59 - 11 - ~11646=3, 1.8/10386=3...(4) HA ALA 104 - HD3 ARG 145 lone 6 66 - 10 - 3.6/7228=1 HA3 GLY 50 - HD3 ARG 145 poor 6 56 - 11 - ~11646=3, 1.8/10386=3...(4) HA GLN 133 - HD2 ARG 145 lone 4 81 - 5 - HA GLN 133 - HD3 ARG 145 lone 4 77 - 5 - HA MET 68 - HD2 ARG 109 lone 4 85 - 5 - 8436/10335=1 HA MET 68 - HD2 ARG 145 lone 4 63 - 6 - HA MET 68 - HD3 ARG 145 lone 4 60 - 6 - HB2 SER 100 - HD2 ARG 109 lone 3 100 - 3 - HB2 SER 127 - HD2 ARG 109 lone 3 81 - 3 - HA3 GLY 50 - HD2 ARG 109 lone 3 81 - 3 - 1.8/10386=1 HD2 PRO 118 - HD2 ARG 145 lone 2 79 - 3 - 11702/3568=1 HD2 PRO 118 - HD3 ARG 145 lone 2 76 - 3 - 11702/3568=1 HB2 SER 100 - HD2 ARG 145 lone 2 81 - 2 - HB2 SER 100 - HD3 ARG 145 lone 2 77 - 2 - HB2 SER 127 - HD2 ARG 145 lone 1 59 - 2 - HB2 SER 127 - HD3 ARG 145 lone 1 56 - 2 - Peak 11130 from cnoeabs.peaks (1.60, 3.96, 60.28 ppm; 5.62 A): 6 out of 11 assignments used, quality = 0.89: HG3 LYS 48 + HA PHE 106 OK 55 100 - 55 - 9239/3.6=8, 1.8/1173=7...(17) HG LEU 108 + HA PHE 106 OK 38 94 - 41 - 9239/3.6=12, 3494/4.8=8...(8) HB2 LEU 79 + HA PHE 106 OK 27 98 - 28 - ~9226=8, 2366/3.0=3...(10) HD2 LYS 61 + HA PHE 106 OK 19 94 - 20 - ~10528=5, 5.2/8333=4...(7) HD3 LYS 61 + HA PHE 106 OK 19 94 - 20 - ~10528=5, 5.2/8333=4...(7) HG3 LYS 36 + HA PHE 106 OK 14 94 - 15 - 2.9/3429=3, 1.8/3428=2 HB2 LEU 87 - HA PHE 106 poor 10 62 - 16 - ~9226=6, 4.6/11698=3...(4) HG3 ARG 49 - HA PHE 106 poor 8 68 - 12 - 1.8/3428=3, 9239/3.6=2...(4) HB2 LEU 97 - HA PHE 106 lone 8 98 - 8 - 9239/3.6=2 HG2 ARG 144 - HA PHE 106 lone 7 100 - 7 - 3.0/3429=1, 9239/3.6=1 HG2 ARG 141 - HA PHE 106 lone 6 96 - 6 - 3.8/10375=1 Peak 11132 from cnoeabs.peaks (3.10, 0.99, 28.66 ppm; 6.04 A): 6 out of 6 assignments used, quality = 0.89: HD2 ARG 109 + HG12 ILE 136 OK 62 81 - 76 - ~9668=19, ~10333=18...(13) HA ALA 105 + HG12 ILE 136 OK 44 94 - 47 - 10335/2.3=13, ~9218=7...(9) HB3 HIS 10 + HG12 ILE 136 OK 24 100 - 23 - 10749/3.7=7, 9669/2.1=6...(5) HD2 ARG 145 + HG12 ILE 136 OK 14 68 - 20 - 10335/2.3=4, ~10335=3, ~4955=1 HD3 ARG 145 + HG12 ILE 136 OK 13 62 - 20 - 10335/2.3=4, ~10335=4, ~4955=1 HB3 ASN 96 + HG12 ILE 136 OK 11 89 - 13 - ~9670=3, 10335/2.3=3...(4) Peak 11135 from cnoeabs.peaks (1.77, 0.76, 13.00 ppm; 4.61 A): 6 out of 7 assignments used, quality = 0.91: HG LEU 39 + QD1 ILE 136 OK 57 98 - 58 - 3.0/9688=11, 847/2.1=9...(15) HB ILE 83 + QD1 ILE 136 OK 38 62 - 61 - 4.0/10454=12, ~10021=12...(23) HB2 PRO 12 + QD1 ILE 136 OK 31 92 - 33 - 10759=5, 79/2.5=2...(16) HG LEU 95 + QD1 ILE 136 OK 27 89 - 30 - 10759=4, 4.3/10755=3...(13) HB3 MET 59 + QD1 ILE 136 OK 23 85 - 27 - 4.2/10466=5, 1611/2.5=3...(11) HB3 ARG 55 + QD1 ILE 136 OK 15 94 - 16 - 8249/3.0=10 HB3 ARG 35 - QD1 ILE 136 lone 6 100 - 6 - Peak 11136 from cnoeabs.peaks (1.35, 1.91, 27.66 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.70: HB3 ARG 49 + HG13 ILE 83 OK 48 96 - 49 - 10660/3.2=6, ~10005=4...(20) HD3 LYS 76 + HG13 ILE 83 OK 33 99 - 34 - ~10022=5, ~10002=5...(9) QB ALA 60 + HG13 ILE 83 OK 15 81 - 18 - 4.8/1611=4, 8326=4...(6) QB ALA 60 - HG3 PRO 12 lone 2 24 - 9 - ~8310=3, 4.8/1611=1...(4) HB3 ARG 49 - HG3 PRO 12 lone 1 32 - 4 - HD3 LYS 76 - HG3 PRO 12 lone 1 34 - 2 - Peak 11137 from cnoeabs.peaks (1.66, 1.30, 27.66 ppm; 4.77 A): 3 out of 12 assignments used, quality = 0.95: HG13 ILE 136 + HG12 ILE 83 OK 71 100 - 71 - ~10021=18, 3.7/9692=16...(22) HB2 LEU 95 + HG12 ILE 83 OK 69 85 - 80 - ~10761=10, 3.1/11153=10...(28) HG2 ARG 140 + HG12 ILE 83 OK 49 100 - 49 - 10659/3.2=13...(19) HG2 ARG 89 - HG12 ILE 83 OK 35 85 - 41 - ~8950=13, 11042/3.2=5...(17) HB2 PRO 57 - HG12 ILE 83 OK 24 96 - 25 - 10659/3.2=4, ~10015=4...(8) HD3 LYS 93 - HG12 ILE 83 OK 21 98 - 22 - ~10002=3, 10023/2.1=3...(9) HG2 ARG 124 - HG12 ILE 83 OK 21 94 - 22 - 10659/3.2=6, ~11138=5...(6) HB VAL 71 - HG12 ILE 83 OK 20 85 - 23 - ~10004=4, 2.1/11152=3...(8) HB2 MET 68 - HG12 ILE 83 OK 16 96 - 17 - 10023/2.1=2, 1965/1.8=1...(5) HB2 ARG 145 - HG12 ILE 83 OK 12 72 - 17 - ~10008=2, ~10029=2...(10) HB2 LYS 114 - HG12 ILE 83 lone 8 98 - 8 - 10659/3.2=4, 10023/2.1=1 HD2 LYS 48 - HG12 ILE 83 lone 4 85 - 4 - Peak 11138 from cnoeabs.peaks (3.29, 1.91, 27.66 ppm; 6.75 A): 0 out of 6 assignments used, low quality = 0.41: HB2 TRP 88 - HG13 ILE 83 OK 20 62 - 32 - 10034/3.8=20...(3) HD2 ARG 124 - HG13 ILE 83 OK 16 68 - 24 - 10034/3.8=6, ~10659=5...(6) HB3 TRP 17 - HG13 ILE 83 OK 12 98 - 12 - 10034/3.8=6, 9032/9025=3 HB3 TRP 17 - HG3 PRO 12 lone 2 33 - 6 - 5.3/10948=2, 9032/9025=2 HB2 TRP 88 - HG3 PRO 12 lone 1 17 - 6 - 4.0/8934=2, 10034/2531=1 HD2 ARG 124 - HG3 PRO 12 lone 1 19 - 4 - Peak 11140 from cnoeabs.peaks (3.12, 1.30, 27.66 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.99: HA LEU 79 + HG12 ILE 83 OK 89 99 - 90 - 10773=20, 4.8/10773=18...(17) HD2 ARG 109 + HG12 ILE 83 OK 87 94 - 92 - ~10030=39, ~11060=28...(15) HA VAL 80 + HG12 ILE 83 OK 58 62 - 93 - ~10028=35, ~9984=20...(21) HB3 ASN 96 - HG12 ILE 83 OK 44 89 - 49 - ~9084=11, 9078/3.2=10...(9) HD2 ARG 145 - HG12 ILE 83 OK 41 99 - 42 - ~10029=5, 10029/2.1=5...(15) HD3 ARG 145 - HG12 ILE 83 OK 41 100 - 41 - 10029/2.1=5, ~10008=5...(15) HB3 PHE 106 - HG12 ILE 83 OK 34 100 - 34 - 4.0/9226=10, ~9231=5...(9) HA ALA 105 - HG12 ILE 83 OK 23 81 - 29 - 3.6/9226=10, 10035/3.8=4...(8) Peak 11141 from cnoeabs.peaks (4.08, 2.94, 41.80 ppm; 3.61 A): 4 out of 36 assignments used, quality = 0.62: HA GLU 90 + HE3 LYS 93 OK 26 100 - 27 - 2915/5.1=14, 3033/5.1=8...(4) HA LEU 26 + HE3 LYS 93 OK 20 94 - 21 - 3033/5.1=4, 3021/5.1=4...(7) HA LEU 132 + HE2 LYS 61 OK 19 92 - 21 - 4.0/8335=4, 4470/3.8=4...(4) HA LEU 132 + HE3 LYS 61 OK 19 92 - 21 - 4.0/8335=4, 4470/3.8=4...(4) HA LEU 132 - HE3 LYS 93 lone 9 100 - 9 - 4477/3.8=2, 3033/5.1=1 HA LEU 26 - HE2 LYS 61 poor 9 83 - 10 - 237/4.8=1 HA LEU 26 - HE3 LYS 61 poor 9 83 - 10 - 237/4.8=1 HA LYS 34 - HE2 LYS 61 lone 8 89 - 9 - 484/4.8=1, 3.0/1728=1 HA LYS 34 - HE3 LYS 61 lone 8 89 - 9 - 484/4.8=1, 3.0/1728=1 HA VAL 53 - HE3 LYS 93 lone 7 100 - 7 - 3033/5.1=3, 3021/5.1=2 HA LYS 34 - HE3 LYS 93 lone 6 99 - 7 - 487/10909=2 HA GLU 90 - HE3 LYS 85 lone 5 95 - 6 - 2915/3102=3, 3033/3043=1 HA GLU 90 - HE3 LYS 48 lone 4 80 - 5 - 2915/3102=2 HA LEU 132 - HE3 LYS 85 lone 4 95 - 4 - HA GLU 90 - HE3 LYS 61 lone 3 92 - 3 - 10074/8336=1 HA LEU 26 - HE3 LYS 85 lone 3 87 - 4 - HA GLU 90 - HE2 LYS 61 lone 3 92 - 3 - 10074/8336=1 HA GLU 90 - HE2 LYS 85 lone 3 65 - 4 - 2915/3102=2 HA LEU 132 - HE2 LYS 85 lone 2 65 - 3 - HA LEU 26 - HE3 LYS 48 lone 2 71 - 2 - HA LYS 34 - HE3 LYS 85 lone 2 93 - 2 - HA LEU 132 - HE3 LYS 48 lone 2 80 - 2 - HA LEU 26 - HE2 LYS 85 lone 2 57 - 3 - HA VAL 53 - HE3 LYS 85 lone 1 95 - 2 - HD3 PRO 118 - HE3 LYS 61 lone 1 61 - 2 - HA VAL 53 - HE3 LYS 61 lone 1 91 - 2 - HD3 PRO 118 - HE2 LYS 61 lone 1 61 - 2 - HA VAL 53 - HE2 LYS 61 lone 1 91 - 1 - HD3 PRO 118 - HE3 LYS 93 lone 1 72 - 2 - HA VAL 53 - HE3 LYS 48 lone 1 80 - 2 - HA LYS 34 - HE3 LYS 48 lone 1 78 - 1 - HA LYS 34 - HE2 LYS 85 lone 1 63 - 1 - HA VAL 53 - HE2 LYS 85 lone 1 65 - 1 - HD3 PRO 118 - HE3 LYS 85 lone 1 65 - 1 - HD3 PRO 118 - HE2 LYS 85 lone 0 40 - 1 - HD3 PRO 118 - HE3 LYS 48 lone 0 51 - 1 - Peak 11142 from cnoeabs.peaks (2.28, 1.23, 42.32 ppm; 6.46 A): 2 out of 9 assignments used, quality = 0.98: HG2 GLU 90 + HB3 LEU 87 OK 92 99 - 93 - ~10973=27, ~8898=25...(18) HG3 GLU 81 + HB3 LEU 87 OK 75 85 - 88 - ~8781=35, ~8781=22...(12) HG2 GLN 62 - HB3 LEU 87 OK 37 81 - 45 - 3.9/2786=6, ~8368=5...(18) HB3 MET 113 - HB3 LEU 87 OK 36 96 - 38 - 9324/8878=13...(10) HG3 GLU 75 - HB3 LEU 87 OK 33 77 - 43 - 8642/3.2=16, ~8892=12...(9) HG3 GLN 62 - HB3 LEU 87 OK 30 68 - 44 - 3.9/2786=6, ~8368=5...(18) HG3 PRO 129 - HB3 LEU 87 OK 28 68 - 41 - ~4359=6, ~4391=6...(12) HG3 GLU 142 - HB3 LEU 87 OK 13 100 - 13 - ~10507=2, ~10378=2...(4) HG2 GLU 131 - HB3 LEU 87 OK 12 100 - 12 - 10008/8878=2...(5) Peak 11143 from cnoeabs.peaks (2.28, 1.30, 26.06 ppm; 6.80 A): 3 out of 16 assignments used, quality = 0.99: HG2 GLU 90 + HG LEU 87 OK 88 94 - 93 - ~8898=31, ~8898=27...(15) HG3 GLU 81 + HG LEU 87 OK 87 94 - 92 - ~8781=42, ~8781=26...(14) HG3 GLU 75 + HG LEU 87 OK 46 89 - 51 - 8642/2.1=20, ~8892=15...(10) HG2 GLN 62 - HG LEU 87 OK 41 92 - 44 - 4.9/9819=7, ~8893=5...(15) HB3 MET 113 - HG LEU 79 OK 40 41 - 98 - ~9327=45, ~9326=38...(20) HG3 GLN 62 - HG LEU 87 OK 37 81 - 45 - 4.9/9819=7, ~8893=5...(15) HB3 MET 113 - HG LEU 87 OK 28 89 - 32 - 9323/2393=5, 10767/3.0=4...(9) HG3 GLU 81 - HG LEU 79 OK 26 45 - 59 - 8786/3.0=12, ~9968=12...(12) HG2 GLN 62 - HG LEU 79 OK 15 43 - 36 - ~8345=14, 8345/2.1=11...(6) HG2 GLU 131 - HG LEU 87 OK 13 96 - 14 - 10131/10129=3...(7) HG3 GLN 62 - HG LEU 79 OK 13 36 - 35 - ~8345=13, 8345/2.1=12...(6) HG2 GLU 131 - HG LEU 79 OK 11 47 - 24 - 9559/2.1=4, ~9562=4...(6) HG2 GLU 90 - HG LEU 79 OK 10 45 - 22 - ~8734=10, ~8734=7, 8899/2805=2 HG3 GLU 142 - HG LEU 87 lone 10 96 - 10 - 10767/3.0=2, 10768/3.0=1 HG3 GLU 75 - HG LEU 79 poor 8 41 - 20 - ~8735=9, ~8735=5, 8642/2813=2 HG3 GLU 142 - HG LEU 79 poor 6 47 - 14 - ~8735=5, ~8735=3, 9559/2.1=2 Peak 11144 from cnoeabs.peaks (1.84, 1.23, 42.32 ppm; 5.79 A): 4 out of 4 assignments used, quality = 0.90: HB3 LYS 76 + HB3 LEU 87 OK 56 62 - 89 - 8897/3.1=26, ~8660=22...(17) HB3 LEU 126 + HB3 LEU 87 OK 51 100 - 51 - 11673/4.0=16, 8897/3.1=6...(18) HB2 LYS 93 + HB3 LEU 87 OK 44 100 - 44 - 8897/3.1=11, 11673/4.0=9...(9) HB3 GLU 28 + HB3 LEU 87 OK 17 68 - 25 - ~10543=6, ~10862=6...(6) Peak 11145 from cnoeabs.peaks (1.44, 0.71, 25.72 ppm; 3.78 A): 4 out of 5 assignments used, quality = 0.95: HB3 LYS 123 + QD1 LEU 87 OK 63 92 - 69 - 1.8/9465=20...(19) HB2 LYS 76 + QD1 LEU 87 OK 54 62 - 86 - 3.0/8660=20, 3.5/8665=14...(24) HG2 LYS 48 + QD1 LEU 87 OK 50 98 - 51 - 10771/2.1=9, 2.9/10091=7...(16) HB3 LYS 114 + QD1 LEU 87 OK 36 99 - 37 - 3764/4.4=8, 10772=7...(9) HB3 LEU 66 - QD1 LEU 87 OK 12 92 - 14 - 3.9/11401=3, 10772=2...(4) Peak 11146 from cnoeabs.peaks (1.44, 0.71, 22.21 ppm; 3.80 A): 4 out of 5 assignments used, quality = 0.93: HB3 LYS 123 + QD2 LEU 87 OK 61 92 - 67 - ~9465=17, 3.0/10060=15...(20) HB2 LYS 76 + QD2 LEU 87 OK 54 62 - 86 - 3.5/8665=25, 1.8/8897=23...(23) HG2 LYS 48 + QD2 LEU 87 OK 43 98 - 44 - 11145/2.1=8, 1.8/2803=5...(18) HB3 LYS 114 + QD2 LEU 87 OK 28 99 - 28 - 3764/4.8=7, 11145/2.1=6...(6) HB3 LEU 66 - QD2 LEU 87 lone 7 92 - 8 - 11145/2.1=2 Peak 11147 from cnoeabs.peaks (7.49, 3.67, 64.81 ppm; 5.21 A): 3 out of 6 assignments used, quality = 0.96: HD1 TRP 88 + HA ILE 83 OK 89 98 - 91 - 2.6/8832=48, ~8836=26...(11) HE ARG 49 + HA ILE 83 OK 38 96 - 39 - 2.9/10012=17...(9) H TYR 70 + HA ILE 83 OK 37 100 - 37 - 10778/3.2=21...(9) HE21 GLN 47 - HA ILE 83 lone 4 100 - 4 - 6.8/10776=2 HE22 GLN 25 - HA ILE 83 lone 3 77 - 4 - 11597/8819=1 HE22 GLN 62 - HA ILE 83 lone 1 68 - 2 - Peak 11148 from cnoeabs.peaks (7.64, 3.67, 64.81 ppm; 5.68 A): 2 out of 5 assignments used, quality = 0.96: H VAL 82 + HA ILE 83 OK 92 94 - 98 - 4.0/9988=41, 6897/2.9=35...(21) H LEU 66 + HA ILE 83 OK 50 100 - 50 - 4.5/2503=10, 6904/2.9=8...(11) H LEU 97 - HA ILE 83 OK 42 72 - 58 - 4.6/9086=13, 5.0/9124=11...(13) H GLU 122 - HA ILE 83 OK 26 100 - 26 - 6920/3.6=4, 2469/4.9=4...(10) HD21 ASN 130 - HA ILE 83 lone 7 100 - 7 - 2469/4.9=1 Peak 11149 from cnoeabs.peaks (7.45, 0.85, 16.44 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.00: H ILE 101 - QG2 ILE 83 poor 9 62 - 14 - 6933/4.3=6, 10533/9142=2...(4) H LEU 126 - QG2 ILE 83 lone 3 72 - 4 - 7578/1846=1 Peak 11151 from cnoeabs.peaks (6.44, 0.67, 15.13 ppm; 6.31 A): 1 out of 1 assignment used, quality = 0.80: HH2 TRP 88 + QD1 ILE 83 OK 80 89 - 90 - 2.5/10039=40...(11) Peak 11152 from cnoeabs.peaks (0.58, 1.30, 27.66 ppm; 5.37 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 132 + HG12 ILE 83 OK 90 100 - 91 - ~10018=38, ~9999=33...(29) QD1 LEU 66 + HG12 ILE 83 OK 80 92 - 87 - 10004/2.1=17...(26) QG2 ILE 58 + HG12 ILE 83 OK 77 96 - 80 - 10024/2.1=49...(17) QG1 VAL 71 - HG12 ILE 83 OK 29 100 - 29 - 10004/2.1=5, 10784/1.8=4...(10) QD1 ILE 56 - HG12 ILE 83 OK 16 72 - 23 - 3.1/10133=4, 10004/2.1=2...(10) Peak 11153 from cnoeabs.peaks (0.77, 1.30, 27.66 ppm; 4.46 A): 3 out of 7 assignments used, quality = 0.93: QD2 LEU 95 + HG12 ILE 83 OK 70 92 - 76 - 9075/3.8=18, 2.1/2524=7...(27) QD1 LEU 79 + HG12 ILE 83 OK 58 77 - 75 - 9075/3.8=10, 2.1/2393=10...(24) QD1 ILE 136 + HG12 ILE 83 OK 48 72 - 67 - ~10021=14, 4.2/9692=13...(24) QG2 VAL 73 - HG12 ILE 83 OK 19 68 - 29 - ~10000=18, 11036/9990=4...(5) QD2 LEU 72 - HG12 ILE 83 OK 18 92 - 20 - 10785/1.8=2, 2145/3.0=2...(9) QD1 LEU 72 - HG12 ILE 83 OK 16 77 - 20 - ~10785=2, 10785/1.8=2...(10) QG2 THR 74 - HG12 ILE 83 poor 9 68 - 13 - ~11041=3, ~10658=2, 10785/1.8=1 Peak 11154 from cnoeabs.peaks (0.62, 3.82, 56.99 ppm; 3.57 A): 3 out of 3 assignments used, quality = 0.52: QD1 LEU 126 + HA LEU 66 OK 25 62 - 40 - 2.1/1874=5, ~11441=3...(22) QD2 LEU 79 + HA LEU 66 OK 24 100 - 24 - ~11441=3, 8478/8390=2...(8) QD2 LEU 64 + HA LEU 66 OK 15 89 - 17 - 9847/2.8=4, 9883/3.6=3...(5) Peak 11155 from cnoeabs.peaks (0.88, 3.82, 56.99 ppm; 5.05 A): 5 out of 6 assignments used, quality = 0.94: QG2 ILE 136 + HA LEU 66 OK 70 96 - 73 - 9892/4.0=14, 9901/4.0=13...(19) QG2 ILE 101 + HA LEU 66 OK 41 96 - 42 - 2.1/1881=8, 9892/4.0=6...(9) QD1 ILE 101 + HA LEU 66 OK 35 89 - 40 - 3.2/1881=6, 9901/4.0=6...(9) QD1 LEU 97 + HA LEU 66 OK 29 99 - 29 - 9892/4.0=5, 9901/4.0=4...(11) HB3 LEU 42 + HA LEU 66 OK 27 92 - 30 - 3.8/1879=10, 9861/4.0=7...(5) QG2 ILE 56 - HA LEU 66 OK 25 81 - 31 - 9892/4.0=8, 9901/4.0=8...(5) Peak 11157 from cnoeabs.peaks (6.26, 0.57, 21.20 ppm; 6.59 A): 2 out of 2 assignments used, quality = 0.82: QE PHE 38 + QD1 LEU 66 OK 70 72 - 96 - 2.2/9904=49, 4.5/8521=43...(12) QE TYR 119 + QD1 LEU 66 OK 40 68 - 59 - 10789/3.1=35...(7) Peak 11158 from cnoeabs.peaks (6.26, 0.67, 24.82 ppm; 6.52 A): 2 out of 2 assignments used, quality = 0.81: QE PHE 38 + QD2 LEU 66 OK 68 72 - 94 - 10791=44, 2.2/8394=42...(10) QE TYR 119 + QD2 LEU 66 OK 40 68 - 59 - 10789/3.1=35...(7) Peak 11159 from cnoeabs.peaks (0.03, 0.57, 21.20 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.84: QD1 LEU 39 + QD1 LEU 66 OK 84 85 - 98 - 3.2/10990=24, ~11496=22...(45) Peak 11160 from cnoeabs.peaks (6.68, 1.73, 28.90 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11161 from cnoeabs.peaks (6.55, 3.02, 42.54 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.79: QE TYR 117 + HE2 LYS 36 OK 54 96 - 56 - 10613/4.8=38...(3) QE TYR 117 + HE3 LYS 36 OK 54 96 - 56 - 10613/4.8=38...(3) HE22 GLN 22 - HE2 LYS 36 lone 9 98 - 9 - 10998/4.8=6 HE22 GLN 22 - HE3 LYS 36 lone 9 98 - 9 - 10998/4.8=6 Peak 11162 from cnoeabs.peaks (6.70, 3.02, 42.54 ppm; 4.66 A): 6 out of 6 assignments used, quality = 0.93: QE TYR 27 + HE2 LYS 36 OK 55 77 - 72 - 9779/3.9=15...(17) QE TYR 27 + HE3 LYS 36 OK 55 77 - 72 - 9779/3.9=15...(17) QE TYR 70 + HE2 LYS 36 OK 31 100 - 31 - 9779/3.9=9, 10777/3.9=7...(6) QE TYR 70 + HE3 LYS 36 OK 31 100 - 31 - 9779/3.9=9, 10777/3.9=7...(6) HZ PHE 43 + HE2 LYS 36 OK 11 89 - 13 - 9779/3.9=3, 10777/3.9=3...(5) HZ PHE 43 + HE3 LYS 36 OK 11 88 - 13 - 9779/3.9=3, 10777/3.9=3...(5) Peak 11163 from cnoeabs.peaks (2.39, 3.02, 42.54 ppm; 6.80 A): 2 out of 16 assignments used, quality = 0.98: HG3 GLU 37 + HE2 LYS 36 OK 86 98 - 88 - ~11486=44, ~11469=39...(12) HG3 GLU 37 + HE3 LYS 36 OK 86 98 - 88 - ~11486=44, ~11469=39...(12) HG3 MET 11 - HE2 LYS 36 OK 29 72 - 39 - ~9762=11, 3.3/9762=11...(14) HG3 MET 11 - HE3 LYS 36 OK 28 72 - 39 - 3.3/9762=11, ~9762=10...(14) HG2 GLN 25 - HE2 LYS 36 OK 28 100 - 28 - 9800/3.9=4, 8361/10934=3...(13) HG2 GLN 25 - HE3 LYS 36 OK 28 100 - 28 - 9800/3.9=4, 8361/10934=3...(13) HB ILE 91 - HE2 LYS 36 OK 16 100 - 16 - 9800/3.9=2, 2958/3.9=2 HB ILE 91 - HE3 LYS 36 OK 16 100 - 16 - 9800/3.9=2, 2958/3.9=2 HG3 GLN 25 - HE2 LYS 36 OK 15 72 - 21 - 9800/3.9=3, ~719=2...(11) HG3 GLN 25 - HE3 LYS 36 OK 15 72 - 21 - 9800/3.9=3, ~719=2...(11) HG2 MET 46 - HE2 LYS 36 OK 13 100 - 13 - 3.3/10798=3, ~10798=2 HG2 MET 46 - HE3 LYS 36 OK 13 100 - 13 - 3.3/10798=3, ~10798=2 HG3 MET 59 - HE2 LYS 36 lone 5 100 - 5 - HG3 MET 59 - HE3 LYS 36 lone 5 100 - 5 - HG2 MET 59 - HE2 LYS 36 lone 4 98 - 4 - HG2 MET 59 - HE3 LYS 36 lone 4 98 - 4 - Peak 11164 from cnoeabs.peaks (7.88, 2.06, 58.74 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.93: H PHE 38 + HA ARG 35 OK 93 98 - 96 - 6235/3.6=36, 6234=30...(16) Peak 11165 from cnoeabs.peaks (8.26, 2.06, 58.74 ppm; 5.51 A): 2 out of 5 assignments used, quality = 0.94: H LEU 39 + HA ARG 35 OK 86 92 - 94 - 4.3/8100=29...(16) H ASP 32 + HA ARG 35 OK 59 100 - 59 - 8082/2.8=22...(11) H GLN 25 - HA ARG 35 OK 26 81 - 32 - 10774/3.6=9, 11626/2.8=7...(9) H GLY 143 - HA ARG 35 OK 15 96 - 15 - 10774/3.6=3, 658/4.9=3...(6) H ALA 105 - HA ARG 35 lone 7 92 - 7 - 7248/11627=2...(3) Peak 11167 from cnoeabs.peaks (7.07, 1.40, 30.17 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.76: H MET 68 + HB2 ARG 35 OK 53 100 - 53 - 9801/3.0=20...(6) QE PHE 67 + HB2 ARG 35 OK 34 68 - 50 - 2.2/10802=25, ~9803=23...(7) QD TYR 70 + HB2 ARG 35 OK 23 85 - 27 - 9804/11623=11...(3) Peak 11168 from cnoeabs.peaks (1.75, 2.89, 42.22 ppm; 5.43 A): 3 out of 6 assignments used, quality = 0.64: HB2 ARG 49 + HB3 ASP 32 OK 36 92 - 40 - 3.0/11169=19...(4) HB ILE 83 + HB3 ASP 32 OK 29 99 - 29 - 4.7/10819=25, ~10015=2 HB2 GLU 81 + HB3 ASP 32 OK 20 85 - 23 - 4.0/9771=13, 10804/1.8=9 HB2 PRO 12 - HB3 ASP 32 lone 4 81 - 5 - 10804/1.8=3 HG3 ARG 140 - HB3 ASP 32 lone 4 89 - 5 - 10804/1.8=2 HG LEU 95 - HB3 ASP 32 lone 4 85 - 4 - 10804/1.8=2 Peak 11169 from cnoeabs.peaks (1.39, 2.89, 42.22 ppm; 5.42 A): 0 out of 7 assignments used, low quality = 0.38: HG2 ARG 49 - HB3 ASP 32 OK 38 100 - 38 - 3.0/11168=13, ~10804=12...(7) HB3 LEU 39 - HB3 ASP 32 poor 9 85 - 11 - 3.3/418=3, 837/4.0=3, ~414=2 HB VAL 82 - HB3 ASP 32 poor 8 62 - 12 - ~8827=3, ~8822=3...(4) HG LEU 132 - HB3 ASP 32 lone 6 89 - 7 - 3.7/8090=3 HB2 LEU 69 - HB3 ASP 32 lone 5 100 - 5 - ~10806=3 HG2 LYS 86 - HB3 ASP 32 lone 3 99 - 3 - HB2 ARG 109 - HB3 ASP 32 lone 2 96 - 2 - Peak 11170 from cnoeabs.peaks (7.19, 1.50, 25.32 ppm; 5.68 A): 2 out of 3 assignments used, quality = 0.50: QD TYR 27 + HG2 LYS 34 OK 32 89 - 36 - 4550/3.7=3, 4550/3.7=3...(17) H LYS 36 + HG2 LYS 34 OK 26 99 - 27 - 4.6/6178=15, 3.9/11479=2...(4) HE3 TRP 88 - HG2 LYS 34 lone 5 92 - 6 - 10330/4186=1 Peak 11171 from cnoeabs.peaks (7.30, 1.50, 25.32 ppm; 5.33 A): 3 out of 4 assignments used, quality = 0.94: H ARG 35 + HG2 LYS 34 OK 88 96 - 91 - 6174/5.0=30, 3.6/486=29...(15) QD TYR 115 + HG2 LYS 34 OK 35 100 - 35 - 6172/5.0=4, ~8022=3...(12) H ASP 30 + HG2 LYS 34 OK 30 100 - 30 - 6172/5.0=4, 492/4.0=3...(11) H PHE 67 - HG2 LYS 34 OK 25 68 - 37 - 6.1/9795=12...(8) Peak 11172 from cnoeabs.peaks (7.32, 1.96, 31.79 ppm; 6.29 A): 1 out of 8 assignments used, quality = 0.98: H ARG 35 + HB2 LYS 34 OK 98 98 - 100 - 4.6=100 QD TYR 115 - HB2 LYS 34 OK 34 85 - 40 - 11171/2.9=6, 6172/4.1=5...(13) H ASP 30 - HB2 LYS 34 OK 29 92 - 31 - 6172/4.1=5, 11171/2.9=5...(9) H ARG 35 - HB3 MET 11 OK 20 65 - 32 - 3.6/484=10, 4.6/6164=7...(6) H GLU 81 - HB2 LYS 34 OK 10 68 - 15 - 11174/2.9=7...(3) QD TYR 115 - HB3 MET 11 poor 7 53 - 14 - 4725/3.0=3, 4658/8005=2...(4) H GLU 81 - HB3 MET 11 lone 4 40 - 10 - ~6863=2, 4.4/9987=1...(5) H ASP 30 - HB3 MET 11 lone 3 59 - 5 - Peak 11174 from cnoeabs.peaks (7.33, 1.63, 25.32 ppm; 5.52 A): 0 out of 2 assignments used, low quality = 0.17: H GLU 81 - HG3 LYS 34 OK 17 99 - 17 - 4.4/9948=7...(4) H ARG 109 - HG3 LYS 34 lone 5 85 - 6 - 11346/11319=1, 11342/10886=1 Peak 11175 from cnoeabs.peaks (1.75, 3.79, 62.02 ppm; 5.68 A): 2 out of 7 assignments used, quality = 0.48: HD2 LYS 36 + HA TYR 27 OK 41 67 - 62 - 3.6/10971=34...(6) HB2 ARG 49 + HA TYR 27 OK 12 98 - 12 - ~10702=3, 10467/8045=3...(4) HB2 GLU 81 - HA TYR 27 lone 8 94 - 9 - ~8770=2, ~8770=2, 678/10971=2 HB ILE 83 - HA TYR 27 lone 5 94 - 6 - 857/8046=3 HG LEU 95 - HA TYR 27 lone 5 72 - 6 - 3.0/8043=2, ~6092=1 HG3 ARG 140 - HA TYR 27 lone 2 96 - 2 - HB2 PRO 12 - HA TYR 27 lone 1 67 - 2 - Peak 11176 from cnoeabs.peaks (6.70, 7.20, 133.15 ppm; 5.77 A): 2 out of 3 assignments used, quality = 0.89: * QE TYR 27 + QD TYR 27 OK 88 88 - 100 - 2.2=100 QE TYR 70 + QD TYR 27 OK 11 96 - 12 - 8101/647=2, ~5608=2...(4) HZ PHE 43 - QD TYR 27 lone 5 68 - 7 - 10962/10880=2 Peak 11177 from cnoeabs.peaks (6.55, 7.20, 133.15 ppm; 5.25 A): 0 out of 2 assignments used, low quality = 0.32: HE22 GLN 22 - QD TYR 27 OK 19 98 - 19 - 1.7/11206=9, 10985/4.6=8 QE TYR 117 - QD TYR 27 OK 16 73 - 22 - 5.6/4788=14, 8999/8998=3...(4) Peak 11179 from cnoeabs.peaks (4.78, 7.20, 133.15 ppm; 4.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11180 from cnoeabs.peaks (3.86, 6.70, 118.79 ppm; 6.17 A): 1 out of 2 assignments used, quality = 0.65: HA LYS 36 + QE TYR 27 OK 65 69 - 95 - 11208/4.5=34, 11205=31...(19) HA LEU 72 - QE TYR 27 lone 2 38 - 5 - 2104/8137=2 Peak 11181 from cnoeabs.peaks (1.59, 6.70, 118.79 ppm; 6.22 A): 2 out of 10 assignments used, quality = 0.75: * HG3 LYS 36 + QE TYR 27 OK 71 73 - 98 - 3.8/11180=33...(23) HG3 LYS 48 + QE TYR 27 OK 14 62 - 23 - 695/11180=5, 9779=2...(9) HG2 ARG 144 - QE TYR 27 poor 7 59 - 12 - 652/11180=2, 721/11490=2...(5) HB2 LEU 79 - QE TYR 27 lone 5 72 - 7 - 721/11490=1, 10824/4.5=1 HG3 ARG 109 - QE TYR 27 poor 5 38 - 12 - 2.8/11182=2, 652/11180=2...(4) HG2 ARG 141 - QE TYR 27 lone 4 46 - 10 - 652/11180=2, 721/11490=1...(5) HG LEU 108 - QE TYR 27 lone 4 42 - 8 - ~10226=4, 10824/4.5=1 HD2 LYS 61 - QE TYR 27 lone 3 73 - 4 - HD3 LYS 61 - QE TYR 27 lone 3 73 - 4 - HB2 LEU 97 - QE TYR 27 lone 2 49 - 4 - 10824/4.5=1 Peak 11182 from cnoeabs.peaks (1.39, 6.70, 118.79 ppm; 6.80 A): 0 out of 7 assignments used, low quality = 0.42: HG2 ARG 49 - QE TYR 27 OK 24 64 - 37 - 8195/11205=12, ~9826=10...(7) HB2 ARG 35 - QE TYR 27 OK 23 52 - 44 - 4.3/10776=18...(8) HG LEU 116 - QE TYR 27 poor 8 59 - 13 - 11096/4.5=4, 651/11180=2...(4) HB2 ARG 109 - QE TYR 27 poor 5 46 - 11 - 2.8/11181=2, 720/11490=2...(5) HD2 LYS 114 - QE TYR 27 lone 3 42 - 8 - 10808/5.6=4, 6196/10776=1 HG2 LYS 86 - QE TYR 27 lone 3 71 - 4 - 2712/4.5=1 HB2 LEU 69 - QE TYR 27 lone 3 56 - 5 - 6279/8137=1 Peak 11184 from cnoeabs.peaks (7.20, 4.42, 57.18 ppm; 6.01 A): 3 out of 3 assignments used, quality = 0.81: QD TYR 27 + HA ASP 40 OK 56 100 - 56 - 2.2/10816=32, ~8137=24...(4) H LYS 36 + HA ASP 40 OK 37 81 - 45 - ~6272=24, 8135/2.9=8...(7) HE3 TRP 88 + HA ASP 40 OK 32 100 - 31 - 10817/3.0=23, 8135/2.9=7 Peak 11185 from cnoeabs.peaks (7.22, 2.75, 39.41 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.79: H GLU 37 + HB3 ASP 40 OK 73 89 - 82 - ~756=21, ~757=19...(12) QD PHE 45 + HB3 ASP 40 OK 13 100 - 13 - ~10836=7 H GLU 37 + HB2 ASN 54 OK 11 56 - 19 - 2.8/758=5, ~757=4...(5) HE3 TRP 17 - HB2 ASN 54 poor 7 62 - 11 - 5.3/11250=5, 4784/3.0=3 HE3 TRP 17 - HB3 ASP 40 lone 6 94 - 6 - 5.3/11250=3 QD PHE 45 - HB2 ASN 54 lone 5 69 - 7 - ~10836=3 Peak 11188 from cnoeabs.peaks (1.07, 4.35, 52.40 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.88: QD2 LEU 26 + HA ASP 65 OK 79 100 - 80 - 10553=33, 2.1/10902=31...(19) HG2 ARG 35 + HA ASP 65 OK 42 100 - 42 - 11443/3.6=11, 10901=11...(14) Peak 11189 from cnoeabs.peaks (4.47, 6.93, 131.46 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.10: HA ASP 137 - QD PHE 23 OK 10 70 - 14 - 3.0/10822=5...(4) HA SER 103 - QD PHE 23 lone 5 90 - 5 - 11203/11193=2 HA SER 44 - QD PHE 23 lone 4 92 - 5 - 11203/11193=1 HA3 GLY 31 - QD PHE 23 lone 3 88 - 3 - HA ASP 41 - QD PHE 23 lone 3 56 - 4 - 11203/11193=1 Peak 11190 from cnoeabs.peaks (3.18, 6.93, 131.46 ppm; 6.18 A): 3 out of 5 assignments used, quality = 0.55: HD2 ARG 144 + QD PHE 23 OK 30 95 - 32 - 4.0/10514=30 HD3 ARG 144 + QD PHE 23 OK 28 88 - 32 - 4.0/10514=30 HA VAL 73 + QD PHE 23 OK 11 85 - 13 - 8151/10736=5...(3) HD2 ARG 55 - QD PHE 23 lone 5 96 - 5 - 4889/10514=3 HD3 ARG 55 - QD PHE 23 lone 5 92 - 5 - 4889/10514=3 Peak 11191 from cnoeabs.peaks (2.82, 6.93, 131.46 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.15: HB2 ASN 139 - QD PHE 23 OK 15 96 - 16 - 8258/11193=5...(5) HE3 LYS 114 - QD PHE 23 lone 9 93 - 9 - 1.8/10822=4, 8258/11193=1 HB2 ASP 40 - QD PHE 23 lone 8 95 - 9 - 1.8/10822=4 HB3 ASN 54 - QD PHE 23 lone 4 88 - 5 - 1.8/10822=2 HB2 ASN 130 - QD PHE 23 lone 3 96 - 3 - Peak 11192 from cnoeabs.peaks (1.17, 6.93, 131.46 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.82: QD1 LEU 26 + QD PHE 23 OK 56 90 - 62 - 4.0/10890=24, 10551=21...(13) QD1 LEU 69 + QD PHE 23 OK 42 88 - 48 - 2.1/8459=14, 8457=12...(12) HB2 LEU 72 + QD PHE 23 OK 14 88 - 16 - 3.2/9962=4, 10296/9398=2...(5) HG2 LYS 76 + QD PHE 23 OK 12 82 - 15 - 3.9/10822=3, 3.9/10822=3...(5) HB3 LEU 108 + QD PHE 23 OK 10 65 - 16 - 6093/8047=3, 9296/7368=2...(7) Peak 11193 from cnoeabs.peaks (0.59, 6.93, 131.46 ppm; 5.95 A): 3 out of 3 assignments used, quality = 0.81: QD1 ILE 56 + QD PHE 23 OK 64 96 - 67 - 3.1/10605=31...(14) QD1 LEU 132 + QD PHE 23 OK 33 82 - 40 - 9329/10187=7...(13) QG1 VAL 71 + QD PHE 23 OK 19 61 - 32 - 4.0/11387=15...(9) Peak 11195 from cnoeabs.peaks (2.96, 6.88, 129.40 ppm; 6.80 A): 1 out of 9 assignments used, quality = 0.52: HB3 PHE 67 + HZ PHE 23 OK 52 94 - 55 - 10840=36, 10841/3.8=27 HB2 TYR 115 - HZ PHE 23 lone 4 93 - 5 - HE2 LYS 48 - HZ PHE 23 lone 2 93 - 3 - HB2 PHE 106 - HZ PHE 23 lone 2 94 - 2 - HE2 LYS 93 - HZ PHE 23 lone 2 91 - 2 - HE2 LYS 85 - HZ PHE 23 lone 2 89 - 2 - HE3 LYS 48 - HZ PHE 23 lone 2 83 - 3 - HB3 TYR 27 - HZ PHE 23 lone 2 66 - 3 - HE3 LYS 85 - HZ PHE 23 lone 2 71 - 2 - Peak 11196 from cnoeabs.peaks (0.59, 6.88, 129.40 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.53: QD1 ILE 56 + HZ PHE 23 OK 32 93 - 34 - 11193/3.8=22...(4) QD1 LEU 132 + HZ PHE 23 OK 20 93 - 22 - 11193/3.8=11...(5) QG2 ILE 58 + HZ PHE 23 OK 13 62 - 21 - 3.2/10584=9, 3.2/10584=8 QG1 VAL 71 - HZ PHE 23 poor 8 79 - 11 - 11193/3.8=6, 9683/11198=1 Peak 11198 from cnoeabs.peaks (0.88, 6.88, 129.40 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.15: QG2 ILE 101 - HZ PHE 23 OK 15 96 - 15 - 10430/3.8=9...(3) QG2 ILE 136 - HZ PHE 23 lone 9 96 - 9 - 9683/11196=3...(3) QG2 VAL 80 - HZ PHE 23 lone 7 83 - 9 - 8755/11196=2, 4798/3.8=1 QD1 LEU 97 - HZ PHE 23 lone 6 94 - 7 - 3.2/11424=2 QD1 ILE 101 - HZ PHE 23 lone 6 97 - 6 - 9245/11589=1, 1481/11196=1 Peak 11199 from cnoeabs.peaks (6.89, 0.60, 11.24 ppm; 4.46 A): 3 out of 6 assignments used, quality = 0.57: HE21 GLN 25 + QD1 ILE 56 OK 39 100 - 39 - 4.4/8254=14...(6) HE21 GLN 111 + QD1 ILE 56 OK 17 92 - 18 - 11200/3.1=5, ~10987=4...(5) HZ PHE 23 + QD1 ILE 56 OK 14 72 - 20 - 3.8/11193=10...(3) HD2 HIS 14 - QD1 ILE 56 lone 5 99 - 5 - 11200/3.1=2 HE21 GLN 22 - QD1 ILE 56 lone 4 94 - 4 - 11200/3.1=1, 6078/10868=1 HE22 GLN 47 - QD1 ILE 56 lone 4 68 - 6 - 11200/3.1=2, ~8182=2 Peak 11200 from cnoeabs.peaks (6.89, 0.86, 17.79 ppm; 4.88 A): 3 out of 6 assignments used, quality = 0.60: HE21 GLN 25 + QG2 ILE 56 OK 35 100 - 35 - 11199/3.1=17...(4) HZ PHE 23 + QG2 ILE 56 OK 23 85 - 27 - 3.8/10605=21, 11199/3.1=6 HE21 GLN 111 + QG2 ILE 56 OK 19 98 - 20 - 11199/3.1=7, 4.6/11023=5...(4) HE22 GLN 47 - QG2 ILE 56 lone 7 81 - 9 - ~8182=2, 11199/3.1=2 HD2 HIS 14 - QG2 ILE 56 lone 6 94 - 7 - 11199/3.1=2, 4777/9133=1 HE21 GLN 22 - QG2 ILE 56 lone 5 85 - 6 - 11199/3.1=2, 9813/10135=1 Peak 11202 from cnoeabs.peaks (4.04, 0.60, 11.24 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.62: HA GLN 25 + QD1 ILE 56 OK 50 94 - 53 - 2.9/8254=17...(7) HA VAL 63 + QD1 ILE 56 OK 24 85 - 28 - 10608/3.1=14, 3.2/9866=5...(4) HA GLU 81 - QD1 ILE 56 lone 4 68 - 5 - 10608/3.1=2, 4.9/9945=1 HA GLU 37 - QD1 ILE 56 lone 2 62 - 3 - 10608/3.1=2 Peak 11203 from cnoeabs.peaks (4.47, 0.60, 11.24 ppm; 4.65 A): 0 out of 5 assignments used, low quality = 0.44: HA ASP 137 - QD1 ILE 56 OK 35 98 - 35 - 5.0/9681=11, 9705/3.1=8...(10) HA SER 103 - QD1 ILE 56 OK 15 100 - 15 - ~10153=5, 11204/3.1=5...(4) HA ASP 41 - QD1 ILE 56 poor 10 92 - 11 - 11204/3.1=3, 9746/8261=3 HA SER 44 - QD1 ILE 56 lone 9 100 - 9 - 2.9/10603=2, 11204/3.1=2 HA3 GLY 31 - QD1 ILE 56 lone 4 100 - 4 - Peak 11204 from cnoeabs.peaks (4.46, 0.86, 17.79 ppm; 5.38 A): 3 out of 5 assignments used, quality = 0.61: HA ASP 137 + QG2 ILE 56 OK 38 96 - 39 - 11203/3.1=12, 9705=6...(10) HA SER 103 + QG2 ILE 56 OK 26 77 - 34 - 3.6/10604=14, ~10153=9...(5) HA ASP 41 + QG2 ILE 56 OK 17 100 - 17 - 3.6/6313=4, 11203/3.1=3...(4) HA SER 44 - QG2 ILE 56 poor 9 72 - 12 - 11203/3.1=3...(3) HA3 GLY 31 - QG2 ILE 56 lone 4 81 - 5 - 11203/3.1=1 Peak 11205 from cnoeabs.peaks (6.70, 3.87, 59.28 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.79: * QE TYR 27 + HA LYS 36 OK 70 92 - 76 - 4.5/11208=18, 11180=13...(19) QE TYR 70 + HA LYS 36 OK 32 99 - 32 - 2.2/9804=11, 10776/2.8=7...(8) HZ PHE 43 - HA LYS 36 poor 9 72 - 12 - 10776/2.8=3, 9779/3.8=2...(4) Peak 11206 from cnoeabs.peaks (6.91, 7.20, 133.15 ppm; 5.96 A): 3 out of 4 assignments used, quality = 0.72: H LEU 29 + QD TYR 27 OK 49 96 - 51 - 6113/5.0=33, 10856/4.6=22 HE21 GLN 22 + QD TYR 27 OK 28 93 - 30 - 1.7/11177=26, 6113/5.0=4 HD2 HIS 14 + QD TYR 27 OK 23 85 - 28 - 4503/2.6=22, 6113/5.0=3 HE21 GLN 25 - QD TYR 27 lone 2 68 - 4 - Peak 11207 from cnoeabs.peaks (6.95, 3.87, 59.28 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.55: QD PHE 38 + HA LYS 36 OK 38 62 - 60 - 5.0/6253=29, 4.3/6236=20...(8) HD21 ASN 139 + HA LYS 36 OK 28 100 - 28 - 9730/3.0=13, 9744/4.9=5...(5) QD PHE 23 - HA LYS 36 lone 5 85 - 6 - 4810/4789=2, 9398/659=2 Peak 11208 from cnoeabs.peaks (3.87, 2.97, 38.91 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.82: HA LYS 36 + HB3 TYR 27 OK 82 100 - 82 - 4789/4.5=18, ~10971=16...(20) Peak 11209 from cnoeabs.peaks (7.82, 4.20, 61.03 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: H SER 44 + HA PHE 43 OK 100 100 - 100 - 3.6=100 H THR 110 + HA PHE 43 OK 50 94 - 53 - ~9277=16, 4.0/10828=11...(11) H GLY 94 - HA PHE 43 OK 10 99 - 10 - 991/4.8=3, 6337/2.8=2 H LEU 26 - HA PHE 43 poor 9 81 - 11 - 11212/3.1=3, 991/4.8=2...(4) H TYR 27 - HA PHE 43 lone 8 99 - 8 - 991/4.8=2, 6337/2.8=1 Peak 11211 from cnoeabs.peaks (4.19, 7.35, 131.53 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.95: HA PHE 43 + QD PHE 43 OK 81 81 - 100 - 3.1=100 HA PHE 67 + QD PHE 43 OK 52 94 - 55 - 984/2.7=9, 9911/2.2=9...(12) HA CYS 121 + QD PHE 43 OK 41 100 - 41 - ~970=9, ~972=7, ~7499=6...(9) Peak 11212 from cnoeabs.peaks (7.83, 7.35, 131.53 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.79: H THR 110 + QD PHE 43 OK 55 85 - 65 - 3.0/9277=22, 4.0/4816=16...(13) H LEU 26 + QD PHE 43 OK 39 96 - 40 - 4.6/4815=18...(5) H TRP 17 + QD PHE 43 OK 13 98 - 13 - 6045/2.7=3, 11216/2.2=3...(4) H TYR 27 + QD PHE 43 OK 11 72 - 16 - 8239/10631=3...(4) H ARG 55 - QD PHE 43 lone 9 94 - 10 - 10621/2.7=2, 11216/2.2=2...(4) Peak 11214 from cnoeabs.peaks (0.67, 4.20, 61.03 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.94: HB3 LEU 116 + HA PHE 43 OK 67 94 - 71 - 1.8/10828=17, ~4816=16...(12) QD2 LEU 39 + HA PHE 43 OK 61 99 - 62 - 8130/6.2=36, 8131/4.8=18...(8) QD2 LEU 66 + HA PHE 43 OK 32 100 - 32 - 9910/3.1=9, 10602/6.2=6...(6) QD1 ILE 83 + HA PHE 43 OK 27 100 - 27 - 11213/2.8=9, ~6327=5...(7) Peak 11215 from cnoeabs.peaks (1.66, 4.22, 60.96 ppm; 4.15 A): 9 out of 24 assignments used, quality = 0.94: HG13 ILE 136 + HA ILE 101 OK 52 91 - 58 - 4630/3.2=6, ~4622=5...(25) HG2 ARG 140 + HA ILE 101 OK 37 92 - 41 - 11015/3.2=7, 11574/4.1=6...(13) HD3 LYS 93 + HA ILE 101 OK 30 87 - 34 - 3.4/3035=4, 3079=4...(11) HD2 LYS 48 + HA PHE 45 OK 29 85 - 34 - 6.0/1019=10, 3.6/1020=7...(8) HB2 PRO 57 + HA ILE 101 OK 22 85 - 25 - 8263/3.2=5, 8263/4.1=4...(10) HB2 MET 68 + HA ILE 101 OK 17 85 - 20 - ~8436=3, 1965/3.0=2...(5) HD3 LYS 93 + HA PHE 45 OK 15 98 - 15 - 1.8/3068=2, 3079=2...(6) HD2 LYS 48 + HA ILE 101 OK 13 73 - 18 - 3.6/1020=3, 3.6/1021=3...(6) HG2 ARG 89 + HA ILE 101 OK 12 73 - 17 - ~10143=4, 2.8/3322=1...(4) HB2 LYS 114 - HA ILE 101 poor 9 87 - 11 - 3749/3.8=5, 3.6/3325=2 HB2 ARG 145 - HA ILE 101 poor 9 61 - 14 - ~10175=13 HG13 ILE 136 - HA PHE 45 lone 7 100 - 7 - 10461/4.9=2 HB VAL 71 - HA ILE 101 lone 4 73 - 5 - HG2 ARG 124 - HA ILE 101 lone 4 83 - 4 - ~10143=1 HG2 ARG 140 - HA PHE 45 lone 4 100 - 4 - 4732/6397=1 HB2 MET 68 - HA PHE 45 lone 4 96 - 4 - 1959/4.7=2 HB2 LEU 95 - HA ILE 101 lone 3 73 - 4 - 4.6/11692=1 HB2 LYS 114 - HA PHE 45 lone 3 98 - 3 - HG2 ARG 89 - HA PHE 45 lone 2 85 - 3 - HB2 LEU 95 - HA PHE 45 lone 2 85 - 3 - HB2 PRO 57 - HA PHE 45 lone 2 96 - 2 - HG2 ARG 124 - HA PHE 45 lone 1 94 - 1 - HB VAL 71 - HA PHE 45 lone 1 85 - 1 - HB2 ARG 145 - HA PHE 45 lone 1 72 - 1 - Peak 11216 from cnoeabs.peaks (7.83, 7.00, 129.93 ppm; 6.80 A): 6 out of 10 assignments used, quality = 0.90: H TRP 17 + HZ PHE 67 OK 60 97 - 62 - ~10860=43, 6049/2.2=20...(5) H LEU 26 + QE PHE 43 OK 37 90 - 41 - 11212/2.2=12, 3.9/4742=8...(8) H THR 110 + QE PHE 43 OK 36 77 - 47 - ~9277=18, 11212/2.2=18...(7) H LEU 26 + HZ PHE 67 OK 19 92 - 20 - 5.0/10881=5, 3.9/4742=4...(5) H TRP 17 + QE PHE 43 OK 14 96 - 14 - 11212/2.2=4, 6045/4.5=2...(5) H TYR 27 + QE PHE 43 OK 13 63 - 21 - 4.6/4742=7, 11212/2.2=4...(5) H ARG 55 - QE PHE 43 lone 8 93 - 9 - 11212/2.2=3, 10621/4.5=2 H THR 110 - HZ PHE 67 lone 8 78 - 10 - 4.0/4743=4, 11212/5572=2 H TYR 27 - HZ PHE 67 poor 7 65 - 11 - 4.6/4742=4, 8239/10632=2 H ARG 55 - HZ PHE 67 lone 4 94 - 4 - Peak 11217 from cnoeabs.peaks (4.22, 7.00, 129.93 ppm; 6.80 A): 0 out of 14 assignments used, low quality = 0.12: HA ALA 134 - QE PHE 43 OK 12 73 - 16 - 4572/4.5=7, 4573/4.5=6 HA ILE 101 - QE PHE 43 lone 7 84 - 8 - 3.2/4744=4, 4.1/4744=2 HA ILE 101 - HZ PHE 67 lone 7 86 - 8 - 3.2/4744=3, 4.1/4744=2 HA PHE 45 - HZ PHE 67 lone 5 97 - 5 - 4.7/5588=2 HA LYS 85 - QE PHE 43 lone 5 97 - 5 - 8862/4.5=3 HA PHE 45 - QE PHE 43 lone 4 96 - 4 - 4.7/4588=1 HA THR 102 - HZ PHE 67 lone 3 92 - 4 - HA THR 102 - QE PHE 43 lone 3 90 - 4 - HA LYS 85 - HZ PHE 67 lone 3 98 - 3 - HA LYS 93 - HZ PHE 67 lone 3 97 - 3 - HA ALA 134 - HZ PHE 67 lone 3 74 - 4 - HB THR 102 - QE PHE 43 lone 3 77 - 3 - HB THR 102 - HZ PHE 67 lone 3 78 - 3 - HA LYS 93 - QE PHE 43 lone 2 96 - 3 - Peak 11218 from cnoeabs.peaks (2.08, 7.00, 129.93 ppm; 5.41 A): 4 out of 26 assignments used, quality = 0.92: HB VAL 53 + QE PHE 43 OK 62 68 - 91 - ~10633=35, ~10634=34...(10) HB2 LEU 26 + QE PHE 43 OK 48 73 - 66 - ~10883=27, ~10962=22...(7) HB VAL 53 + HZ PHE 67 OK 42 69 - 61 - ~9836=38, 2.1/10632=17...(5) HB2 LEU 26 + HZ PHE 67 OK 28 74 - 37 - ~10556=31, 3.1/10881=5 HG2 GLU 122 - HZ PHE 67 OK 22 92 - 23 - 10244=9, 3.0/10243=7...(4) HB3 GLN 25 - QE PHE 43 OK 16 77 - 21 - ~4815=12, 4.6/11216=4...(4) HB3 LYS 36 - QE PHE 43 OK 14 93 - 15 - ~8101=4, ~9779=3...(4) HG2 PRO 118 - QE PHE 43 OK 12 97 - 12 - 2.3/11031=4, 3.8/4818=1 HD2 ARG 49 - QE PHE 43 poor 7 63 - 10 - 1.8/9829=3, 10665=3, 5.2/4818=2 HB3 LYS 36 - HZ PHE 67 lone 7 94 - 7 - 680/5.8=3, 10784/7.8=2 HG2 PRO 118 - HZ PHE 67 lone 6 98 - 6 - HB2 GLU 131 - QE PHE 43 lone 6 97 - 6 - HG3 PRO 33 - HZ PHE 67 lone 5 97 - 5 - ~1975=2 HB2 GLU 131 - HZ PHE 67 lone 5 98 - 5 - HG3 PRO 33 - QE PHE 43 lone 5 96 - 5 - HG2 GLU 122 - QE PHE 43 lone 5 90 - 5 - 1.8/10324=1 HB3 GLN 25 - HZ PHE 67 lone 5 78 - 6 - 4.6/11216=2, 10587/10632=1 HB2 PRO 129 - QE PHE 43 lone 4 88 - 5 - 4.1/7627=2 HG2 PRO 33 - HZ PHE 67 lone 4 60 - 6 - ~1975=2, 10611/5.8=1 HB2 PRO 129 - HZ PHE 67 lone 3 89 - 4 - 4.1/7627=1 HB3 LYS 61 - QE PHE 43 lone 3 77 - 4 - HD2 ARG 49 - HZ PHE 67 lone 3 65 - 4 - 10665=1 HB3 LYS 61 - HZ PHE 67 lone 3 78 - 3 - HG2 PRO 33 - QE PHE 43 lone 3 58 - 4 - HB3 GLU 142 - QE PHE 43 lone 2 73 - 2 - HB3 GLU 142 - HZ PHE 67 lone 1 74 - 2 - Peak 11219 from cnoeabs.peaks (1.06, 7.00, 129.93 ppm; 4.10 A): 5 out of 10 assignments used, quality = 0.92: QG2 VAL 53 + QE PHE 43 OK 70 88 - 80 - 10633/2.2=31, 9809=22...(10) QG2 VAL 53 + HZ PHE 67 OK 46 89 - 52 - ~9836=24, 2.1/10632=14...(8) QD2 LEU 26 + QE PHE 43 OK 32 68 - 47 - 10883/2.2=20, ~10598=13...(10) QD2 LEU 26 + HZ PHE 67 OK 23 69 - 34 - 10556/2.2=21, 10881=3...(6) HG2 ARG 35 + QE PHE 43 OK 11 88 - 12 - 10883/2.2=4, 3.9/9802=3...(4) HG2 ARG 35 - HZ PHE 67 lone 8 89 - 9 - ~11167=3, 11629/7.8=2 HG3 LYS 114 - QE PHE 43 lone 6 84 - 7 - 10601/2.2=1 HG3 LYS 114 - HZ PHE 67 lone 6 86 - 7 - 11233/7.8=3, 10600/10595=1 HG13 ILE 91 - HZ PHE 67 lone 6 65 - 9 - 10600/10595=4, 1395/10632=1 HG13 ILE 91 - QE PHE 43 lone 5 63 - 8 - 1395/10632=2, 10601/2.2=1 Peak 11220 from cnoeabs.peaks (0.91, 7.00, 129.93 ppm; 4.24 A): 3 out of 8 assignments used, quality = 0.94: QG1 VAL 53 + QE PHE 43 OK 81 94 - 86 - 10634/2.2=34...(11) QG1 VAL 53 + HZ PHE 67 OK 64 96 - 67 - 9836/2.2=39, 10632=16...(9) QD2 LEU 29 + HZ PHE 67 OK 16 97 - 16 - ~10837=7, 8068/5.8=4 QG1 VAL 63 - HZ PHE 67 lone 9 97 - 9 - 10934/5.8=4, 1399/9809=1 QG1 VAL 63 - QE PHE 43 lone 9 96 - 9 - 1399/9809=2, 8350/4820=1 QD2 LEU 29 - QE PHE 43 lone 8 96 - 9 - ~4815=3, 1399/9809=1 HB2 LEU 64 - QE PHE 43 lone 7 88 - 8 - 3.1/4745=4, 1821/4745=1 HB2 LEU 64 - HZ PHE 67 lone 4 89 - 5 - 3.1/4745=3 Peak 11221 from cnoeabs.peaks (0.66, 7.00, 129.93 ppm; 4.20 A): 4 out of 6 assignments used, quality = 0.80: QD2 LEU 39 + QE PHE 43 OK 56 90 - 62 - 8130/2.2=32, ~8125=14...(9) QD2 LEU 39 + HZ PHE 67 OK 29 92 - 31 - 10940/2.2=13, 8118/5.8=5...(7) QD2 LEU 66 + QE PHE 43 OK 26 88 - 29 - ~4821=6, 8405/11224=6...(10) QD2 LEU 66 + HZ PHE 67 OK 15 89 - 17 - 1921/7.8=4, 11526/5.8=3...(5) QD1 ILE 83 - HZ PHE 67 lone 5 65 - 8 - 10039/3.8=3, 11526/5.8=1 QD1 ILE 83 - QE PHE 43 lone 5 63 - 8 - 10602/2.2=1 Peak 11222 from cnoeabs.peaks (0.59, 7.00, 129.93 ppm; 5.79 A): 3 out of 8 assignments used, quality = 0.57: QG1 VAL 71 + HZ PHE 67 OK 31 82 - 38 - 8527/2.2=32, 6651/7.8=3 QD1 ILE 56 + QE PHE 43 OK 30 94 - 32 - 8260/2.2=18, ~10606=6...(5) QG2 ILE 58 + QE PHE 43 OK 11 63 - 17 - 3.1/4820=7, ~4821=5 QD1 ILE 56 - HZ PHE 67 lone 9 96 - 10 - 10595/10881=2...(4) QD1 LEU 132 - HZ PHE 67 lone 9 96 - 9 - 9600/10632=2, 6651/7.8=1 QD1 LEU 132 - QE PHE 43 lone 9 94 - 9 - 9600/10632=3 QG1 VAL 71 - QE PHE 43 lone 8 81 - 10 - 8527/5602=3, 2.1/8525=2 QG2 ILE 58 - HZ PHE 67 lone 6 65 - 9 - 3.1/4820=2...(3) Peak 11224 from cnoeabs.peaks (0.30, 7.00, 129.93 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.60: QD2 LEU 42 + QE PHE 43 OK 50 94 - 53 - 10744/6.2=19, 8163=17...(9) QD2 LEU 42 + HZ PHE 67 OK 19 96 - 20 - 8163=6, 2.1/10737=4...(5) Peak 11225 from cnoeabs.peaks (7.19, 3.51, 38.81 ppm; 4.96 A): 0 out of 3 assignments used, low quality = 0.23: H LYS 36 - HB2 PHE 45 OK 23 100 - 24 - 3.9/1027=10, ~657=8, ~657=5 HE3 TRP 88 - HB2 PHE 45 lone 2 85 - 3 - 4753/11226=2 QD TYR 27 - HB2 PHE 45 lone 2 81 - 2 - Peak 11226 from cnoeabs.peaks (6.32, 3.51, 38.81 ppm; 6.71 A): 1 out of 1 assignment used, quality = 0.83: QD TYR 119 + HB2 PHE 45 OK 83 100 - 83 - 10831/1.8=42, ~11502=36...(7) Peak 11227 from cnoeabs.peaks (6.34, 3.46, 38.81 ppm; 6.03 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11228 from cnoeabs.peaks (4.76, 7.01, 129.35 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11229 from cnoeabs.peaks (3.09, 7.01, 129.35 ppm; 6.12 A): 2 out of 4 assignments used, quality = 0.97: HD3 ARG 49 + HZ PHE 45 OK 83 91 - 91 - ~9804=40, 9828/2.2=36...(9) HA TYR 119 + HZ PHE 45 OK 81 99 - 83 - 9428/2.2=36, 9429=30...(11) HA2 GLY 78 - HZ PHE 45 lone 9 96 - 10 - 10835/2.2=2...(4) HB3 HIS 10 - HZ PHE 45 lone 2 67 - 3 - Peak 11230 from cnoeabs.peaks (1.94, 7.01, 129.35 ppm; 5.43 A): 1 out of 7 assignments used, quality = 0.94: HB3 GLU 122 + HZ PHE 45 OK 94 100 - 94 - 10321/2.2=47, 10322=32...(16) HB3 PRO 52 - HZ PHE 45 OK 19 96 - 20 - 1363/5.8=4, 10838/2.2=3...(9) HG2 PRO 52 - HZ PHE 45 OK 19 98 - 19 - 1371/5.8=3, 10838/2.2=2...(9) HB2 LYS 61 - HZ PHE 45 lone 5 67 - 8 - 9549/10399=3 HB3 PRO 98 - HZ PHE 45 lone 4 91 - 4 - HB2 ARG 89 - HZ PHE 45 lone 2 85 - 3 - HB ILE 56 - HZ PHE 45 lone 2 77 - 3 - Peak 11236 from cnoeabs.peaks (8.03, 7.08, 133.19 ppm; 6.18 A): 0 out of 3 assignments used, low quality = 0.16: H THR 51 - QD TYR 70 OK 16 77 - 21 - 3.6/4696=16, ~1311=2 H ARG 144 - QD TYR 70 lone 6 98 - 6 - 4.0/4692=3 H ILE 58 - QD TYR 70 lone 3 89 - 3 - Peak 11237 from cnoeabs.peaks (7.24, 7.14, 131.28 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.70: * HZ PHE 106 + QD PHE 106 OK 70 94 - 74 - 3.8=67, 3434/2.5=8...(5) Peak 11238 from cnoeabs.peaks (7.24, 7.28, 131.68 ppm; 2.82 A): 1 out of 1 assignment used, quality = 0.96: * HZ PHE 106 + QE PHE 106 OK 96 96 - 100 - 2.2=100 Peak 11240 from cnoeabs.peaks (1.06, 7.28, 131.68 ppm; 6.03 A): 0 out of 4 assignments used, low quality = 0.16: HG3 LYS 114 - QE PHE 106 OK 16 96 - 17 - 10204/2.2=8...(4) QG2 VAL 53 - QE PHE 106 lone 8 97 - 8 - ~9230=3, ~9807=2 HG13 ILE 91 - QE PHE 106 lone 2 86 - 2 - HG2 ARG 35 - QE PHE 106 lone 1 62 - 2 - Peak 11241 from cnoeabs.peaks (2.69, 7.16, 118.50 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: HB3 TYR 115 + QE TYR 115 OK 99 99 - 100 - 4.5=100 HB3 ASP 13 + QE TYR 115 OK 80 99 - 81 - ~4658=42, ~5658=29...(15) HB2 ASP 32 + QE TYR 115 OK 53 95 - 56 - 4.8/9345=13, 3842/4.5=10...(12) HB2 PHE 43 - QE TYR 115 OK 31 99 - 31 - 3842/4.5=7, 3834/5.7=6...(9) HB2 ASP 137 - QE TYR 115 OK 30 90 - 33 - 3842/4.5=5, 4660/2.2=5...(10) HB3 ASP 16 - QE TYR 115 OK 16 83 - 18 - 4660/2.2=3, 3.0/4715=3...(5) Peak 11243 from cnoeabs.peaks (4.40, 0.63, 25.34 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.71: HA PRO 57 + QD2 LEU 64 OK 66 98 - 67 - 3.8/8267=29...(10) HA PRO 33 + QD2 LEU 64 OK 15 96 - 16 - 1529/8267=4...(5) Peak 11244 from cnoeabs.peaks (4.63, 0.63, 25.34 ppm; 4.75 A): 5 out of 6 assignments used, quality = 0.92: HA GLN 111 + QD2 LEU 64 OK 64 85 - 75 - 3.9/8372=21...(13) HA LEU 87 + QD2 LEU 64 OK 62 96 - 64 - 3.0/1843=9, 2771/3.1=8...(22) HA ARG 124 + QD2 LEU 64 OK 25 68 - 37 - 3.0/9483=8, 3.8/11071=7...(9) HG1 THR 110 + QD2 LEU 64 OK 12 85 - 14 - 4.0/9842=7, 7358/1847=1...(4) HA ASP 32 + QD2 LEU 64 OK 10 89 - 11 - 4.8/11243=4...(4) HA ASP 16 - QD2 LEU 64 lone 5 92 - 5 - 10605/11017=1 Peak 11246 from cnoeabs.peaks (9.99, 3.75, 45.33 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.51: HE1 TRP 17 + HA3 GLY 15 OK 30 99 - 30 - 2.6/10960=17, ~10960=14 HE1 TRP 17 + HA2 GLY 15 OK 30 99 - 30 - 2.6/10960=17, ~10960=14 Peak 11247 from cnoeabs.peaks (10.00, 2.99, 30.32 ppm; 6.57 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11248 from cnoeabs.peaks (7.30, 2.99, 30.32 ppm; 6.24 A): 2 out of 6 assignments used, quality = 0.53: QD TYR 115 + HB3 HIS 14 OK 38 85 - 45 - ~3840=11, ~9344=10...(8) H PHE 67 + HB3 HIS 14 OK 25 98 - 26 - 3.6/11249=17, 6.1/11249=7 H ASP 30 - HB3 HIS 14 poor 10 77 - 12 - 6129/4.0=2, 3.8/137=2, ~389=1 HZ2 TRP 17 - HB3 HIS 14 lone 6 81 - 7 - 5.0/11249=3, 5526/11249=2 H ARG 35 - HB3 HIS 14 lone 3 62 - 6 - ~11621=2 QE PHE 106 - HB3 HIS 14 lone 1 67 - 2 - Peak 11249 from cnoeabs.peaks (7.06, 2.99, 30.32 ppm; 6.64 A): 0 out of 3 assignments used, low quality = 0.29: H MET 68 - HB3 HIS 14 OK 19 88 - 22 - 3.6/11248=11, 2.9/8444=8 QE PHE 67 - HB3 HIS 14 OK 12 99 - 12 - 6.1/11248=8 HD1 TRP 17 - HB3 HIS 14 lone 4 94 - 5 - 5.0/11248=2 Peak 11252 from cnoeabs.peaks (9.99, 2.22, 31.89 ppm; 6.27 A): 1 out of 1 assignment used, quality = 0.88: * HE1 TRP 17 + HB3 PRO 12 OK 88 98 - 90 - 10949/1.8=42...(11) Peak 11253 from cnoeabs.peaks (7.02, 4.33, 63.12 ppm; 6.13 A): 0 out of 1 assignment used, low quality = 0.24: HZ PHE 45 - HA PRO 12 OK 24 85 - 28 - 11254/3.8=14, 11254/3.8=14 Peak 11254 from cnoeabs.peaks (7.02, 1.92, 27.30 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.56: HZ PHE 45 + HG3 PRO 12 OK 33 66 - 51 - 11253/3.8=38, ~10838=4...(6) HZ PHE 45 + HG2 PRO 12 OK 33 67 - 50 - 11253/3.8=38...(5) Peak 11258 from cnoeabs.peaks (5.02, 3.65, 66.86 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.99: HG1 THR 92 + HA THR 92 OK 99 99 - 100 - 4.1=100 Peak 11260 from cnoeabs.peaks (4.28, 1.14, 21.59 ppm; 2.78 A): 1 out of 9 assignments used, quality = 0.57: * HA THR 18 + QG2 THR 18 OK 57 81 - 71 - 3.2=66, 3.0/11271=11, ~10851=4 HA ARG 89 - QG2 THR 18 lone 2 62 - 3 - HA PRO 118 - QG2 THR 18 lone 2 100 - 2 - HA3 GLY 78 - QG2 THR 18 lone 1 100 - 1 - HB THR 99 - QG2 THR 18 lone 1 72 - 1 - HA SER 138 - QG2 THR 18 lone 0 67 - 1 - HA LEU 95 - QG2 THR 18 lone 0 94 - 0 - HA ARG 140 - QG2 THR 18 lone 0 100 - 0 - HA ARG 49 - QG2 THR 18 lone 0 96 - 0 - Peak 11262 from cnoeabs.peaks (4.38, 1.14, 21.59 ppm; 3.01 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 18 + QG2 THR 18 OK 99 99 - 100 - 2.1=100 HA ASP 30 - QG2 THR 18 lone 2 88 - 2 - HA ASN 96 - QG2 THR 18 lone 1 99 - 1 - HB THR 51 - QG2 THR 18 lone 0 57 - 0 - Peak 11263 from cnoeabs.peaks (1.14, 4.38, 70.33 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.98: * QG2 THR 18 + HB THR 18 OK 98 98 - 100 - 2.1=100 HG LEU 64 - HB THR 18 OK 25 98 - 26 - 11266/3.0=6, ~1844=5...(8) Peak 11264 from cnoeabs.peaks (4.29, 4.38, 70.33 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.95: * HA THR 18 + HB THR 18 OK 95 95 - 100 - 3.0=100 HA ARG 89 - HB THR 18 lone 9 98 - 9 - 10851/2.1=2, 11278/3.9=2...(5) HA SER 100 - HB THR 18 lone 3 88 - 3 - HA PRO 118 - HB THR 18 lone 1 63 - 2 - HA ILE 56 - HB THR 18 lone 1 59 - 2 - HA3 GLY 78 - HB THR 18 lone 1 59 - 1 - Peak 11265 from cnoeabs.peaks (4.38, 4.38, 70.33 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HB THR 18 + HB THR 18 OK 98 98 - 100 Peak 11266 from cnoeabs.peaks (1.14, 4.29, 61.03 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 18 + HA THR 18 OK 100 100 - 100 - 3.2=100 HG LEU 64 - HA THR 18 OK 26 100 - 26 - 5.2/11273=7, 11263/3.0=5...(10) Peak 11267 from cnoeabs.peaks (4.28, 4.29, 61.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: * HA THR 18 + HA THR 18 OK 94 94 - 100 Peak 11268 from cnoeabs.peaks (4.39, 4.29, 61.03 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.99: * HB THR 18 + HA THR 18 OK 99 99 - 100 - 3.0=100 HA ASP 30 - HA THR 18 lone 5 100 - 5 - 11279/3.0=3 HA ASN 96 - HA THR 18 lone 2 85 - 2 - Peak 11269 from cnoeabs.peaks (7.10, 4.29, 61.03 ppm; 5.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11270 from cnoeabs.peaks (7.11, 4.38, 70.33 ppm; 5.70 A): 0 out of 1 assignment used, low quality = 0.00: QE PHE 45 - HB THR 18 lone 1 63 - 1 - Peak 11271 from cnoeabs.peaks (8.30, 1.14, 21.59 ppm; 3.56 A): 3 out of 5 assignments used, quality = 0.88: * H THR 18 + QG2 THR 18 OK 80 100 - 80 - 4.0=70, 3.0/11260=31 H LEU 64 + QG2 THR 18 OK 31 77 - 40 - 3.0/1812=8, 4.4/10864=6...(12) H VAL 71 + QG2 THR 18 OK 12 98 - 12 - 5.0/10858=4, 11272/2.1=3 H ASN 128 - QG2 THR 18 lone 1 99 - 1 - H THR 99 - QG2 THR 18 lone 1 81 - 1 - Peak 11272 from cnoeabs.peaks (8.29, 4.38, 70.33 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.95: H THR 18 + HB THR 18 OK 93 93 - 100 - 3.9=100 H LEU 64 + HB THR 18 OK 36 93 - 39 - 11273/3.0=11...(7) H VAL 71 - HB THR 18 OK 21 98 - 22 - 5.0/4697=11, 11273/3.0=6 H ASN 128 - HB THR 18 lone 1 85 - 2 - Peak 11273 from cnoeabs.peaks (8.28, 4.29, 61.03 ppm; 3.96 A): 0 out of 5 assignments used, low quality = 0.16: H LEU 64 - HA THR 18 OK 16 94 - 17 - 6616/3.2=4, ~1812=4...(5) H VAL 71 - HA THR 18 poor 8 67 - 13 - 5.0/10859=8, 11272/3.0=2 H LEU 39 - HA THR 18 lone 1 77 - 1 - H GLN 25 - HA THR 18 lone 0 88 - 0 - H GLY 143 - HA THR 18 lone 0 67 - 1 - Peak 11289 from cnoeabs.peaks (6.54, 0.58, 16.80 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.75: HE22 GLN 22 + QG2 ILE 58 OK 75 96 - 78 - 11290/3.1=47, 11286=33...(5) Peak 11296 from cnoeabs.peaks (4.58, 1.26, 25.29 ppm; 5.54 A): 0 out of 2 assignments used, low quality = 0.25: HA ASN 130 - HG2 LYS 61 OK 15 68 - 22 - ~7617=3, 7658/7666=2...(10) HA ASN 130 - HG3 LYS 61 OK 12 52 - 22 - ~7617=3, 7658/7666=2...(10) Peak 11298 from cnoeabs.peaks (5.02, 3.06, 38.91 ppm; 6.21 A): 0 out of 1 assignment used, low quality = 0.20: HG1 THR 92 - HB2 TYR 27 OK 20 100 - 20 - 11299/1.8=18 Peak 11299 from cnoeabs.peaks (5.03, 2.97, 38.91 ppm; 6.18 A): 0 out of 1 assignment used, low quality = 0.14: HG1 THR 92 - HB3 TYR 27 OK 14 72 - 20 - 11298/1.8=18 Peak 11300 from cnoeabs.peaks (7.33, 4.55, 55.40 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.31: H GLU 81 - HA GLU 28 OK 31 99 - 32 - ~9776=11, ~8052=10...(5) H ARG 35 - HA GLU 28 poor 9 62 - 15 - 6127/3.6=6, 10853/3.0=6 Peak 11303 from cnoeabs.peaks (4.42, 0.91, 21.64 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.92: HA PRO 57 + QG1 VAL 63 OK 66 92 - 72 - 8363/2.1=23, 2.3/9873=18...(12) HA ILE 58 + QG1 VAL 63 OK 52 62 - 83 - 4.1/8350=28, 3.2/8350=18...(15) HA ASP 40 + QG1 VAL 63 OK 40 94 - 42 - 8363/2.1=12, 8362/2.1=7...(11) HA PRO 33 + QG1 VAL 63 OK 19 94 - 20 - 8363/2.1=7, 8362/2.1=3...(5) Peak 11305 from cnoeabs.peaks (4.31, 0.91, 22.18 ppm; 4.23 A): 0 out of 4 assignments used, low quality = 0.20: HA ILE 56 - QG1 VAL 53 OK 20 100 - 20 - 3.8/11612=10, 3.8/11612=9 HA SER 100 - QG1 VAL 53 poor 9 89 - 10 - 3.0/9165=5, 2.9/10165=1 HA TYR 70 - QG1 VAL 53 lone 6 72 - 9 - ~8241=2, 8492/9838=1, 2060/2.1=1 HA PRO 12 - QG1 VAL 53 lone 1 72 - 2 - Peak 11306 from cnoeabs.peaks (4.35, 0.93, 20.65 ppm; 5.07 A): 3 out of 4 assignments used, quality = 0.92: HA ASP 65 + QG2 VAL 63 OK 86 100 - 86 - 10867=31, 3.0/11453=28...(14) HB THR 51 + QG2 VAL 63 OK 34 89 - 39 - 10867=8, 9876/2.1=7...(12) HA ARG 144 + QG2 VAL 63 OK 10 94 - 11 - 10867=3, 9876/2.1=2 HA3 GLY 77 - QG2 VAL 63 lone 6 100 - 6 - 10867=2 Peak 11308 from cnoeabs.peaks (4.06, 1.90, 33.14 ppm; 4.19 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 - 100 - 3.0=100 HD2 PRO 33 + HB2 LYS 24 OK 56 92 - 61 - 11309/1.8=8, 11311/3.0=7...(25) HA LEU 26 - HB2 LYS 24 OK 41 81 - 50 - ~11353=7, 11309/1.8=7...(18) HA LYS 34 - HB2 LYS 24 OK 37 68 - 56 - 4.7/10880=9, 4.0/11324=9...(22) HD3 PRO 118 - HB2 LYS 24 OK 19 98 - 19 - ~11316=4, 11309/1.8=3...(6) Peak 11309 from cnoeabs.peaks (4.06, 1.80, 33.14 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 3.0=100 HD2 PRO 33 + HB3 LYS 24 OK 52 92 - 57 - 11308/1.8=8, 11311/3.0=7...(24) HA LEU 26 - HB3 LYS 24 OK 42 81 - 51 - 2.9/11353=9, 11308/1.8=6...(19) HA LYS 34 - HB3 LYS 24 OK 37 68 - 54 - 4.7/10885=7, 4.7/10885=6...(19) HD3 PRO 118 - HB3 LYS 24 OK 18 98 - 18 - ~11316=4, 11308/1.8=3...(6) Peak 11310 from cnoeabs.peaks (4.06, 1.41, 24.28 ppm; 3.48 A): 4 out of 10 assignments used, quality = 0.94: * HA LYS 24 + HG2 LYS 24 OK 79 100 - 79 - 4.0=64, 11311/1.8=15...(9) HD2 PRO 33 + HG2 LYS 24 OK 39 92 - 42 - 10890=8, 11311/1.8=6...(11) HA LYS 24 + HG3 LYS 93 OK 37 73 - 51 - 4.0/10906=13...(17) HA LEU 26 + HG2 LYS 24 OK 30 81 - 37 - 10890=7, 11311/1.8=5...(13) HA LYS 34 - HG2 LYS 24 OK 26 68 - 38 - 10890=6, 10889/1.8=5...(15) HA LEU 26 - HG3 LYS 93 OK 13 52 - 25 - 3033/2.9=2, 3021/2.9=2...(12) HD3 PRO 118 - HG2 LYS 24 lone 9 98 - 9 - 11311/1.8=2, 11308/3.0=2...(4) HD2 PRO 33 - HG3 LYS 93 lone 4 61 - 7 - 11312/10913=2, 10890/10906=1 HA LYS 34 - HG3 LYS 93 lone 4 42 - 9 - 10908/10913=1, 10890/10906=1 HD3 PRO 118 - HG3 LYS 93 lone 3 68 - 4 - Peak 11311 from cnoeabs.peaks (4.06, 1.30, 24.28 ppm; 3.67 A): 3 out of 5 assignments used, quality = 0.94: * HA LYS 24 + HG3 LYS 24 OK 87 100 - 87 - 4.0=75, 10874/1.8=18...(10) HD2 PRO 33 + HG3 LYS 24 OK 36 92 - 40 - 3.0/10894=8, 10890/1.8=7...(9) HA LEU 26 + HG3 LYS 24 OK 29 81 - 36 - 10890/1.8=6, 10908/3.0=5...(12) HA LYS 34 - HG3 LYS 24 OK 27 68 - 41 - 4.7/10897=6, 10890/1.8=5...(18) HD3 PRO 118 - HG3 LYS 24 lone 10 98 - 10 - 11308/3.0=2, 11309/3.0=2...(4) Peak 11312 from cnoeabs.peaks (4.06, 1.63, 29.31 ppm; 3.41 A): 4 out of 5 assignments used, quality = 0.86: * HA LYS 24 + HD2 LYS 24 OK 65 100 - 65 - 5.3=27, 4.0/10914=15...(10) HD2 PRO 33 + HD2 LYS 24 OK 30 92 - 33 - 11311/3.0=5, 10890/3.0=5...(11) HA LEU 26 + HD2 LYS 24 OK 27 81 - 33 - 2.9/11359=6, 10890/3.0=4...(12) HA LYS 34 + HD2 LYS 24 OK 23 68 - 34 - 3.0/498=5, 487=4...(12) HD3 PRO 118 - HD2 LYS 24 lone 8 98 - 8 - 11308/3.7=1, 11309/3.7=1 Peak 11313 from cnoeabs.peaks (4.06, 4.06, 59.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 24 + HA LYS 24 OK 100 100 - 100 Peak 11314 from cnoeabs.peaks (3.06, 4.06, 59.94 ppm; 4.19 A): 5 out of 10 assignments used, quality = 0.85: HE2 LYS 34 + HA LYS 24 OK 47 100 - 47 - 2.9/10872=9, 2.9/10872=9...(17) HE3 LYS 34 + HA LYS 24 OK 46 100 - 46 - 2.9/10872=9, 2.9/10872=9...(17) HB2 TYR 27 + HA LYS 24 OK 31 99 - 31 - 2.6/11340=9, 1.8/11368=7...(6) HE3 LYS 86 + HA LYS 24 OK 13 92 - 14 - 3.0/10872=3, ~10885=1 HE2 LYS 86 + HA LYS 24 OK 12 89 - 14 - 3.0/10872=3, ~10885=1 HB3 ASP 65 - HA LYS 24 lone 4 68 - 7 - 10901/4.0=3 HB3 TRP 88 - HA LYS 24 lone 3 77 - 4 - HB2 PHE 67 - HA LYS 24 lone 2 68 - 3 - 10901/4.0=1 HB2 HIS 10 - HA LYS 24 lone 2 99 - 2 - HB3 ASP 30 - HA LYS 24 lone 2 77 - 3 - Peak 11315 from cnoeabs.peaks (2.93, 4.06, 59.94 ppm; 4.19 A): 5 out of 7 assignments used, quality = 0.86: HE3 LYS 93 + HA LYS 24 OK 47 92 - 51 - 10909/5.3=16...(16) HE2 LYS 61 + HA LYS 24 OK 42 100 - 42 - 10891/4.0=11...(8) HE3 LYS 61 + HA LYS 24 OK 38 100 - 38 - 10891/4.0=10...(8) HB2 HIS 14 + HA LYS 24 OK 18 94 - 18 - 11370/3.0=5, ~10879=4...(6) HE3 LYS 48 + HA LYS 24 OK 11 62 - 17 - 3.6/11320=10...(3) HE3 LYS 85 - HA LYS 24 poor 8 77 - 10 - 10909/5.3=2, 10878/3.0=2 HB3 ASN 130 - HA LYS 24 lone 5 99 - 5 - Peak 11316 from cnoeabs.peaks (2.13, 4.06, 59.94 ppm; 5.26 A): 3 out of 6 assignments used, quality = 0.49: HG2 GLN 111 + HA LYS 24 OK 22 94 - 24 - 3.0/10871=4, 3639/3.0=4...(10) HG3 PRO 118 + HA LYS 24 OK 19 100 - 19 - 3978=3, 2.3/3930=2...(7) HG2 GLU 81 + HA LYS 24 OK 19 99 - 19 - 4.9/11346=16 HB2 GLN 133 - HA LYS 24 lone 4 94 - 4 - HB3 GLN 133 - HA LYS 24 lone 4 92 - 4 - HB2 GLU 75 - HA LYS 24 lone 1 62 - 2 - Peak 11317 from cnoeabs.peaks (1.90, 4.06, 59.94 ppm; 3.46 A): 1 out of 11 assignments used, quality = 1.00: HB2 LYS 24 + HA LYS 24 OK 100 100 - 100 - 3.0=100 HB3 LYS 93 - HA LYS 24 OK 44 92 - 48 - 11328/3.0=6, 10881/3.0=6...(20) HB ILE 101 - HA LYS 24 OK 25 100 - 26 - 11328/3.0=4, 10881/3.0=4...(14) HB3 GLN 111 - HA LYS 24 OK 19 100 - 19 - 3.0/11316=4, 11328/3.0=2...(7) HB3 LEU 69 - HA LYS 24 OK 10 96 - 11 - 11328/3.0=1, 10881/3.0=1 HB3 ARG 141 - HA LYS 24 poor 9 81 - 10 - 10881/3.0=1, 11328/3.0=1 HB3 ARG 89 - HA LYS 24 lone 8 100 - 8 - 11328/3.0=1, 10881/3.0=1 QE MET 68 - HA LYS 24 lone 7 92 - 8 - 8455/11348=1, 1994/3.0=1 HB3 ARG 140 - HA LYS 24 lone 6 94 - 7 - 10881/3.0=1 HG13 ILE 83 - HA LYS 24 lone 6 62 - 10 - 1.8/10875=3, ~11326=1, ~11332=1 HB ILE 136 - HA LYS 24 lone 2 72 - 3 - 2.5/9667=1 Peak 11318 from cnoeabs.peaks (1.78, 4.06, 59.94 ppm; 3.86 A): 3 out of 7 assignments used, quality = 0.49: HG LEU 72 + HA LYS 24 OK 26 92 - 28 - 10880/3.0=6, 2136/3.0=4...(14) HG2 PRO 57 + HA LYS 24 OK 19 94 - 21 - 10880/3.0=4, 10885/3.0=4...(7) HB3 ARG 35 + HA LYS 24 OK 15 89 - 17 - 4.3/11340=12, 604/4.0=1 HG LEU 39 - HA LYS 24 lone 8 99 - 8 - 845/3.6=4, 6197/11340=2 HB3 ARG 55 - HA LYS 24 lone 6 100 - 6 - 4.0/11347=4 HB3 MET 59 - HA LYS 24 lone 4 100 - 4 - HB3 ARG 145 - HA LYS 24 lone 2 62 - 4 - Peak 11319 from cnoeabs.peaks (1.63, 4.06, 59.94 ppm; 3.77 A): 3 out of 7 assignments used, quality = 0.94: HD2 LYS 24 + HA LYS 24 OK 74 100 - 74 - 5.3=36, 10914/4.0=18...(11) HG3 LYS 34 + HA LYS 24 OK 62 100 - 63 - 11324/3.0=9, 2.9/10872=8...(24) HB3 LEU 26 + HA LYS 24 OK 34 96 - 35 - 3.9/11347=8, 11324/3.0=5...(12) HB2 LEU 87 - HA LYS 24 OK 24 68 - 36 - 10882/3.0=6, 3.0/10875=6...(10) HB3 LEU 64 - HA LYS 24 poor 7 72 - 10 - 3.8/11348=2, 10882/3.0=1...(4) HG3 ARG 49 - HA LYS 24 lone 6 62 - 9 - 5.0/11366=6 HG3 ARG 144 - HA LYS 24 lone 2 72 - 3 - Peak 11320 from cnoeabs.peaks (1.44, 4.06, 59.94 ppm; 3.56 A): 0 out of 5 assignments used, low quality = 0.37: HB3 LYS 114 - HA LYS 24 OK 18 100 - 18 - 3.9/11366=8, 1.8/10873=3...(5) HG2 LYS 48 - HA LYS 24 OK 14 89 - 16 - 4.9/11366=5, 10883/3.0=4...(4) HG12 ILE 91 - HA LYS 24 OK 10 68 - 15 - 10883/3.0=3, 2.1/11619=2...(7) HB3 LYS 123 - HA LYS 24 lone 2 77 - 3 - HB3 LEU 66 - HA LYS 24 lone 1 77 - 2 - Peak 11321 from cnoeabs.peaks (1.31, 4.06, 59.94 ppm; 4.03 A): 1 out of 5 assignments used, quality = 0.98: HG3 LYS 24 + HA LYS 24 OK 98 98 - 100 - 4.0=100 HG LEU 87 - HA LYS 24 OK 27 92 - 30 - 11326/3.0=8, 11334/4.0=6...(7) HG12 ILE 83 - HA LYS 24 OK 13 99 - 13 - 11326/3.0=3, 11332/3.0=2...(5) HG LEU 79 - HA LYS 24 OK 12 100 - 12 - 11326/3.0=3, 10907/4.0=3...(4) HG2 LYS 85 - HA LYS 24 lone 5 77 - 6 - 8780/11316=1, 3.5/11315=1 Peak 11322 from cnoeabs.peaks (1.90, 1.90, 33.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 Peak 11323 from cnoeabs.peaks (1.81, 1.90, 33.14 ppm; 3.25 A): 5 out of 9 assignments used, quality = 0.92: HB3 LYS 24 + HB2 LYS 24 OK 81 81 - 100 - 1.8=100 HB3 LEU 72 + HB2 LYS 24 OK 34 100 - 34 - 3.0/10880=6, 3.1/9910=4...(15) HD3 LYS 36 + HB2 LYS 24 OK 21 72 - 28 - ~10901=5, 5.6/11341=4...(13) HB VAL 80 + HB2 LYS 24 OK 14 89 - 15 - ~8760=2, ~8746=2...(6) HD3 LYS 86 + HB2 LYS 24 OK 11 92 - 11 - 10872/3.0=1, ~2732=1 HB2 ARG 141 - HB2 LYS 24 poor 10 62 - 16 - 1.8/10881=2, 2.8/4806=1 HB2 MET 11 - HB2 LYS 24 poor 10 94 - 10 - 1.8/25=2, 3.0/37=1...(4) HB2 ARG 124 - HB2 LYS 24 poor 10 94 - 10 - 1.8/4215=1 HB3 MET 68 - HB2 LYS 24 poor 7 62 - 11 - 1.8/1965=1, 2.9/1989=1 Peak 11324 from cnoeabs.peaks (1.63, 1.90, 33.14 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 99 99 - 100 - 3.7=100 HG3 LYS 34 + HB2 LYS 24 OK 73 99 - 74 - 2.9/10880=15, 10882=14...(26) HB3 LEU 26 - HB2 LYS 24 OK 39 100 - 39 - 11330/1.8=5, 11319/3.0=5...(17) HB3 LEU 64 - HB2 LYS 24 lone 6 57 - 10 - 10882=2, 10873/3.0=1...(5) HG3 ARG 144 - HB2 LYS 24 lone 2 57 - 3 - Peak 11325 from cnoeabs.peaks (1.42, 1.90, 33.14 ppm; 4.58 A): 4 out of 5 assignments used, quality = 1.00: HG3 LYS 93 + HB2 LYS 24 OK 86 94 - 91 - 10913/3.7=26...(37) HG2 LYS 24 + HB2 LYS 24 OK 85 85 - 100 - 3.0=100 HG12 ILE 91 + HB2 LYS 24 OK 56 99 - 56 - 10883=12, 11331/1.8=9...(17) HG2 LYS 36 + HB2 LYS 24 OK 49 85 - 58 - 4.6/11341=12...(22) HD2 LYS 114 - HB2 LYS 24 OK 24 68 - 36 - 10883=5, 10874/3.0=4...(13) Peak 11326 from cnoeabs.peaks (1.31, 1.90, 33.14 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.99: HG3 LYS 24 + HB2 LYS 24 OK 98 98 - 100 - 3.0=100 HG LEU 87 + HB2 LYS 24 OK 61 92 - 67 - 11334/3.0=8, 11332/1.8=8...(24) HG LEU 79 - HB2 LYS 24 OK 25 100 - 25 - 10907/3.0=4, 10914/3.7=3...(12) HG12 ILE 83 - HB2 LYS 24 OK 23 99 - 22 - 10875/3.0=3, 11332/1.8=2...(10) HG2 LYS 85 - HB2 LYS 24 lone 7 77 - 9 - ~10878=1, 11321/3.0=1 Peak 11327 from cnoeabs.peaks (2.94, 1.80, 33.14 ppm; 6.05 A): 4 out of 13 assignments used, quality = 1.00: HE3 LYS 93 + HB3 LYS 24 OK 90 100 - 91 - 10909/3.7=33...(29) HE2 LYS 61 + HB3 LYS 24 OK 86 99 - 87 - 10891/3.0=20...(16) HE3 LYS 61 + HB3 LYS 24 OK 86 99 - 87 - 10891/3.0=19...(17) HE2 LYS 93 + HB3 LYS 24 OK 70 81 - 86 - 3.8/10887=21...(29) HB2 HIS 14 - HB3 LYS 24 OK 32 68 - 47 - ~10879=10, ~10892=9...(10) HE3 LYS 48 - HB3 LYS 24 OK 28 92 - 30 - 10878=3, 10909/3.7=3...(12) HE3 LYS 85 - HB3 LYS 24 OK 25 98 - 25 - 10909/3.7=4, 10878=3...(7) HE2 LYS 48 - HB3 LYS 24 OK 21 77 - 28 - 1.8/10878=3, ~11315=2...(11) HE2 LYS 85 - HB3 LYS 24 OK 18 85 - 22 - 1.8/10878=3, 10878=2...(6) HB2 TYR 115 - HB3 LYS 24 poor 9 77 - 12 - ~10216=2, 10215/3.0=2...(4) HB3 ASN 130 - HB3 LYS 24 lone 8 100 - 8 - 10909/3.7=2, 11315/3.0=1...(4) HB3 PHE 67 - HB3 LYS 24 lone 5 72 - 7 - ~10901=3, 3.7/11234=1 HB2 PHE 106 - HB3 LYS 24 lone 2 72 - 2 - Peak 11328 from cnoeabs.peaks (1.90, 1.80, 33.14 ppm; 3.12 A): 2 out of 11 assignments used, quality = 1.00: HB2 LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 1.8=100 HB3 LYS 93 + HB3 LYS 24 OK 59 92 - 64 - 2.9/10887=7, 10881/1.8=7...(30) HB ILE 101 - HB3 LYS 24 OK 44 100 - 44 - 3.9/11352=7, 10881/1.8=4...(20) HB3 GLN 111 - HB3 LYS 24 OK 22 100 - 22 - 10881/1.8=2, ~11371=2...(12) HB3 LEU 69 - HB3 LYS 24 OK 13 96 - 13 - 10881/1.8=1 HB3 ARG 141 - HB3 LYS 24 OK 12 81 - 15 - 10881/1.8=2, 10903/3.0=1...(4) HB3 ARG 89 - HB3 LYS 24 OK 12 100 - 11 - 10881/1.8=1, 1.8/2861=1 HB3 ARG 140 - HB3 LYS 24 lone 9 94 - 9 - 10881/1.8=1 QE MET 68 - HB3 LYS 24 lone 8 92 - 9 - 1994/1.8=2 HG13 ILE 83 - HB3 LYS 24 poor 8 62 - 13 - 1.8/11332=2, ~11326=2...(4) HB ILE 136 - HB3 LYS 24 lone 3 72 - 4 - Peak 11329 from cnoeabs.peaks (1.79, 1.80, 33.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: HB3 LYS 24 + HB3 LYS 24 OK 94 94 - 100 Peak 11330 from cnoeabs.peaks (1.64, 1.80, 33.14 ppm; 3.71 A): 3 out of 6 assignments used, quality = 0.98: HD2 LYS 24 + HB3 LYS 24 OK 92 92 - 100 - 3.7=100 HG3 LYS 34 + HB3 LYS 24 OK 62 92 - 68 - 11324/1.8=11...(25) HD3 LYS 93 + HB3 LYS 24 OK 50 68 - 74 - 3.0/10887=11, 1.8/3070=7...(40) HB3 LEU 26 - HB3 LYS 24 OK 38 100 - 38 - 3.9/11353=6, 11324/1.8=6...(12) HB2 PRO 57 - HB3 LYS 24 OK 24 72 - 34 - ~10902=8, ~10895=8...(10) HB2 LYS 114 - HB3 LYS 24 OK 19 68 - 28 - ~11320=7, 3.6/10887=5...(11) Peak 11331 from cnoeabs.peaks (1.42, 1.80, 33.14 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.95: HG3 LYS 93 + HB3 LYS 24 OK 73 81 - 90 - 10906/3.0=22...(37) HG2 LYS 24 + HB3 LYS 24 OK 68 68 - 100 - 3.0=100 HG12 ILE 91 + HB3 LYS 24 OK 48 100 - 48 - 10883/1.8=9, 2.1/8981=7...(17) HG2 LYS 36 - HB3 LYS 24 OK 26 68 - 38 - 10906/3.0=7, 11325/1.8=5...(16) HB3 LYS 114 - HB3 LYS 24 OK 22 68 - 33 - 3.6/10887=6, 11320/3.0=6...(14) Peak 11332 from cnoeabs.peaks (1.30, 1.80, 33.14 ppm; 4.24 A): 2 out of 6 assignments used, quality = 0.99: HG3 LYS 24 + HB3 LYS 24 OK 96 96 - 100 - 3.0=100 HG LEU 87 + HB3 LYS 24 OK 70 100 - 70 - 10907/3.0=10, 10888=10...(24) HG LEU 79 - HB3 LYS 24 OK 23 85 - 27 - 10888=4, 10907/3.0=4...(13) HG12 ILE 83 - HB3 LYS 24 OK 22 94 - 23 - 10875/3.0=3, 11365/3.7=3...(10) HG13 ILE 58 - HB3 LYS 24 lone 3 92 - 3 - HG12 ILE 58 - HB3 LYS 24 lone 2 72 - 3 - Peak 11333 from cnoeabs.peaks (2.93, 1.41, 24.28 ppm; 3.26 A): 5 out of 12 assignments used, quality = 0.91: HE2 LYS 61 + HG2 LYS 24 OK 45 85 - 53 - 1.8/10892=12, 10892=11...(11) HE3 LYS 61 + HG2 LYS 24 OK 42 85 - 50 - 1.8/10892=13, ~10891=8...(11) HE3 LYS 93 + HG2 LYS 24 OK 41 62 - 66 - 10909/3.0=21...(19) HE3 LYS 93 + HG3 LYS 93 OK 37 38 - 97 - 3.8=64, 3.0/3072=16...(82) HB2 HIS 14 + HG2 LYS 24 OK 26 100 - 26 - 1.8/10892=7, 11370/3.0=4...(8) HE2 LYS 61 - HG3 LYS 93 poor 6 55 - 11 - 11361/10913=2...(3) HE3 LYS 61 - HG3 LYS 93 poor 6 55 - 10 - 11361/10913=2, 10892/10906=1 HD2 ARG 35 - HG2 LYS 24 lone 5 72 - 7 - 3.8/10906=1, 3.8/604=1 HB3 ASN 130 - HG2 LYS 24 lone 4 81 - 5 - HD2 ARG 35 - HG3 LYS 93 lone 2 45 - 4 - HB2 HIS 14 - HG3 LYS 93 lone 2 73 - 2 - HB3 ASN 130 - HG3 LYS 93 lone 1 52 - 2 - Peak 11334 from cnoeabs.peaks (1.30, 1.41, 24.28 ppm; 2.60 A): 1 out of 10 assignments used, quality = 1.00: HG3 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 1.8=100 HG3 LYS 24 - HG3 LYS 93 OK 44 72 - 62 - 1.8/10906=17, 11339=13...(23) HG LEU 87 - HG2 LYS 24 OK 43 99 - 43 - 10907=7, 11365/3.0=5...(17) HG LEU 79 - HG2 LYS 24 OK 14 100 - 14 - 10907=4, 10914/3.0=2...(5) HG12 ILE 83 - HG2 LYS 24 OK 10 100 - 10 - 11365/3.0=1, 11326/3.0=1 HG LEU 87 - HG3 LYS 93 poor 7 70 - 11 - ~8660=2, ~8897=2...(4) HG12 ILE 83 - HG3 LYS 93 lone 5 73 - 7 - ~10002=1 HG LEU 79 - HG3 LYS 93 lone 3 71 - 4 - HG13 ILE 58 - HG2 LYS 24 lone 1 62 - 1 - HG13 ILE 58 - HG3 LYS 93 lone 0 38 - 0 - Peak 11335 from cnoeabs.peaks (2.93, 1.30, 24.28 ppm; 3.40 A): 4 out of 6 assignments used, quality = 0.89: HE3 LYS 93 + HG3 LYS 24 OK 55 85 - 65 - 10909/3.0=24...(25) HE2 LYS 61 + HG3 LYS 24 OK 47 98 - 48 - 10892/1.8=12...(13) HE3 LYS 61 + HG3 LYS 24 OK 44 98 - 45 - ~10892=9, 10892/1.8=9...(13) HB2 HIS 14 + HG3 LYS 24 OK 21 98 - 21 - ~10892=5, 11333/1.8=4...(7) HE3 LYS 85 - HG3 LYS 24 poor 8 68 - 11 - 10909/3.0=3, 10878/3.0=1 HB3 ASN 130 - HG3 LYS 24 lone 5 96 - 5 - 9542/10894=1, 10909/3.0=1 Peak 11336 from cnoeabs.peaks (1.90, 1.30, 24.28 ppm; 3.45 A): 2 out of 9 assignments used, quality = 1.00: HB2 LYS 24 + HG3 LYS 24 OK 99 99 - 100 - 3.0=100 HB3 LYS 93 + HG3 LYS 24 OK 75 98 - 77 - 10903/1.8=11...(36) HB ILE 101 - HG3 LYS 24 OK 40 98 - 42 - 3.2/10129=8, 2.1/10133=7...(19) HB3 GLN 111 - HG3 LYS 24 OK 19 100 - 19 - 10903/1.8=2, 11328/3.0=2...(8) HB3 ARG 141 - HG3 LYS 24 OK 13 92 - 14 - 10903/1.8=2, 10881/3.0=1 HB3 LEU 69 - HG3 LYS 24 OK 11 89 - 12 - 11328/3.0=1, 10881/3.0=1 HB3 ARG 89 - HG3 LYS 24 lone 9 99 - 9 - 10903/1.8=1, 11328/3.0=1 HB3 ARG 140 - HG3 LYS 24 lone 8 99 - 8 - 10903/1.8=1, 10881/3.0=1 QE MET 68 - HG3 LYS 24 lone 6 81 - 7 - 3.3/10894=2, 1994/3.0=1 Peak 11337 from cnoeabs.peaks (1.62, 1.30, 24.28 ppm; 2.83 A): 3 out of 9 assignments used, quality = 0.96: HD2 LYS 24 + HG3 LYS 24 OK 89 94 - 94 - 3.0=89, 11364/1.8=15...(11) HB2 LEU 87 + HG3 LYS 24 OK 46 96 - 48 - 10905/1.8=7, 1.8/2789=6...(22) HG3 LYS 34 + HG3 LYS 24 OK 38 94 - 41 - 10905/1.8=6, 2.9/10897=6...(15) HB3 LEU 26 - HG3 LYS 24 OK 14 68 - 20 - 3.0/10889=3, ~10890=2...(8) HB3 LEU 64 - HG3 LYS 24 OK 10 98 - 11 - 10905/1.8=2 HG3 ARG 49 - HG3 LYS 24 lone 5 94 - 6 - 5.0/11344=2 HG2 ARG 141 - HG3 LYS 24 lone 5 62 - 7 - HG3 ARG 144 - HG3 LYS 24 lone 2 98 - 2 - HG LEU 108 - HG3 LYS 24 lone 1 68 - 1 - Peak 11338 from cnoeabs.peaks (1.30, 1.30, 24.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 Peak 11339 from cnoeabs.peaks (1.42, 1.30, 24.28 ppm; 2.57 A): 2 out of 7 assignments used, quality = 0.99: HG2 LYS 24 + HG3 LYS 24 OK 96 96 - 100 - 1.8=100 HG3 LYS 93 + HG3 LYS 24 OK 60 100 - 60 - 10906/1.8=17...(22) HG2 LYS 36 - HG3 LYS 24 OK 16 96 - 17 - 10906/1.8=4, 10913/3.0=2...(6) HG12 ILE 91 - HG3 LYS 24 OK 15 92 - 17 - 10883/3.0=2, 11331/3.0=2...(8) HD2 LYS 114 - HG3 LYS 24 OK 14 85 - 16 - 10906/1.8=4, 10887/3.0=2...(6) HB2 ARG 35 - HG3 LYS 24 lone 4 72 - 5 - 10906/1.8=2, 10913/3.0=1 HG LEU 116 - HG3 LYS 24 lone 3 62 - 5 - 10906/1.8=1 Peak 11340 from cnoeabs.peaks (7.19, 4.06, 59.94 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.55: H LYS 36 + HA LYS 24 OK 45 100 - 45 - 11341/3.0=14, 10786=9...(10) * QD TYR 27 + HA LYS 24 OK 19 62 - 30 - 2.6/11368=7, 2.6/11314=7...(5) HE3 TRP 88 - HA LYS 24 lone 3 68 - 4 - 11341/3.0=2 Peak 11341 from cnoeabs.peaks (7.19, 1.90, 33.14 ppm; 5.55 A): 2 out of 3 assignments used, quality = 0.73: H LYS 36 + HB2 LYS 24 OK 63 100 - 63 - 11340/3.0=28...(16) QD TYR 27 + HB2 LYS 24 OK 27 81 - 33 - 11340/3.0=12, ~11368=8...(5) HE3 TRP 88 - HB2 LYS 24 lone 7 85 - 8 - 11340/3.0=2, 5.0/8939=1 Peak 11342 from cnoeabs.peaks (7.34, 1.80, 33.14 ppm; 4.91 A): 0 out of 3 assignments used, low quality = 0.40: H GLU 81 - HB3 LYS 24 OK 29 94 - 31 - 11346/3.0=20...(7) H ARG 109 - HB3 LYS 24 OK 15 94 - 16 - 11346/3.0=10...(3) QD PHE 43 - HB3 LYS 24 lone 6 72 - 8 - 11346/3.0=4, ~10829=2 Peak 11344 from cnoeabs.peaks (7.40, 1.30, 24.28 ppm; 6.42 A): 2 out of 2 assignments used, quality = 0.51: H LYS 114 + HG3 LYS 24 OK 30 62 - 49 - 11345/3.0=20...(6) H ARG 49 + HG3 LYS 24 OK 30 72 - 41 - 11345/3.0=17...(6) Peak 11345 from cnoeabs.peaks (7.39, 1.63, 29.31 ppm; 5.09 A): 2 out of 3 assignments used, quality = 0.49: H LYS 114 + HD2 LYS 24 OK 31 94 - 33 - 11366/5.3=13...(6) H ARG 49 + HD2 LYS 24 OK 26 98 - 26 - 11366/5.3=10...(3) H ASP 41 - HD2 LYS 24 lone 2 72 - 3 - 11366/5.3=1 Peak 11346 from cnoeabs.peaks (7.34, 4.06, 59.94 ppm; 4.80 A): 0 out of 3 assignments used, low quality = 0.40: H GLU 81 - HA LYS 24 OK 30 81 - 37 - 11342/3.0=18, 3.6/8746=8...(7) H ARG 109 - HA LYS 24 OK 14 100 - 14 - 11342/3.0=9, 4.6/11347=2 QD PHE 43 - HA LYS 24 lone 6 89 - 7 - 11342/3.0=4 Peak 11347 from cnoeabs.peaks (7.83, 4.06, 59.94 ppm; 4.07 A): 4 out of 5 assignments used, quality = 0.71: H LEU 26 + HA LYS 24 OK 44 96 - 46 - 10895/3.6=14...(15) * H TYR 27 + HA LYS 24 OK 25 72 - 34 - 3.1/10859=8, 4.6/11340=5...(10) H ARG 55 + HA LYS 24 OK 18 94 - 19 - 10614/3.6=10...(4) H TRP 17 + HA LYS 24 OK 15 98 - 15 - 11274/3.6=7, 11353/3.0=4...(4) H THR 110 - HA LYS 24 lone 7 85 - 9 - 4.6/11346=5 Peak 11348 from cnoeabs.peaks (8.30, 4.06, 59.94 ppm; 5.70 A): 0 out of 5 assignments used, low quality = 0.19: H VAL 71 - HA LYS 24 OK 19 92 - 21 - 8495/3.0=5, 9902/3.0=5...(5) H THR 18 - HA LYS 24 lone 10 100 - 10 - 4.7/11347=5, 11360/5.3=2 H LEU 64 - HA LYS 24 poor 7 62 - 11 - 11360/5.3=5, 3.8/10873=2 H ASN 128 - HA LYS 24 lone 4 100 - 4 - H THR 99 - HA LYS 24 lone 2 92 - 2 - Peak 11349 from cnoeabs.peaks (7.44, 1.90, 33.14 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.62: H ILE 101 + HB2 LYS 24 OK 55 98 - 56 - 11352/1.8=14...(14) HD22 ASN 84 + HB2 LYS 24 OK 16 94 - 16 - 8859/1.8=6, 10193/10884=1 Peak 11350 from cnoeabs.peaks (7.73, 1.90, 33.14 ppm; 4.90 A): 3 out of 4 assignments used, quality = 0.63: H GLN 62 + HB2 LYS 24 OK 48 98 - 49 - 3.3/11351=28...(6) H SER 100 + HB2 LYS 24 OK 20 94 - 21 - 4.6/11349=17, 6573/11351=1 H LEU 132 + HB2 LYS 24 OK 11 94 - 11 - 6573/11351=3...(3) HD21 ASN 128 - HB2 LYS 24 lone 2 62 - 2 - Peak 11351 from cnoeabs.peaks (8.43, 1.90, 33.14 ppm; 5.39 A): 0 out of 1 assignment used, low quality = 0.40: H LYS 61 - HB2 LYS 24 OK 40 96 - 42 - 3.3/11350=22, ~9819=7...(5) Peak 11352 from cnoeabs.peaks (7.42, 1.80, 33.14 ppm; 5.16 A): 0 out of 2 assignments used, low quality = 0.45: H ILE 101 - HB3 LYS 24 OK 36 89 - 41 - 11349/1.8=12...(9) HD22 ASN 84 - HB3 LYS 24 OK 14 94 - 15 - 8859=5, 11349/1.8=3 Peak 11353 from cnoeabs.peaks (7.84, 1.80, 33.14 ppm; 5.14 A): 3 out of 5 assignments used, quality = 0.62: H LEU 26 + HB3 LYS 24 OK 37 68 - 55 - 11347/3.0=14...(11) H ARG 55 + HB3 LYS 24 OK 24 100 - 24 - 10614/4.6=15...(4) H TRP 17 + HB3 LYS 24 OK 21 100 - 21 - 11274/4.6=11...(4) H ALA 135 - HB3 LYS 24 lone 3 81 - 4 - H TYR 119 - HB3 LYS 24 lone 2 68 - 3 - Peak 11354 from cnoeabs.peaks (8.29, 1.80, 33.14 ppm; 5.40 A): 3 out of 4 assignments used, quality = 0.83: H GLN 25 + HB3 LYS 24 OK 72 72 - 100 - 4.6=100 H VAL 71 + HB3 LYS 24 OK 23 85 - 27 - 11360/3.7=9, 8495=5...(5) H LEU 64 + HB3 LYS 24 OK 19 100 - 20 - 11360/3.7=13...(4) H THR 18 - HB3 LYS 24 poor 9 62 - 14 - 4.7/11353=7, 11360/3.7=5 Peak 11356 from cnoeabs.peaks (8.10, 1.41, 24.28 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.00: H ASP 16 - HG3 LYS 93 lone 3 70 - 5 - 10112/9041=2 H ASP 16 - HG2 LYS 24 lone 1 99 - 1 - Peak 11359 from cnoeabs.peaks (7.83, 1.63, 29.31 ppm; 5.49 A): 4 out of 5 assignments used, quality = 0.78: H LEU 26 + HD2 LYS 24 OK 60 96 - 62 - 11347/5.3=13...(16) H TYR 27 + HD2 LYS 24 OK 24 72 - 33 - 3.6/10908=10...(6) H TRP 17 + HD2 LYS 24 OK 16 98 - 16 - 11353/3.7=7, 11347/5.3=4 H ARG 55 + HD2 LYS 24 OK 13 94 - 14 - 11353/3.7=8, 11347/5.3=5 H THR 110 - HD2 LYS 24 lone 4 85 - 5 - 11347/5.3=2 Peak 11360 from cnoeabs.peaks (8.29, 1.63, 29.31 ppm; 5.72 A): 0 out of 4 assignments used, low quality = 0.39: H LEU 64 - HD2 LYS 24 OK 25 100 - 25 - 11354/3.7=5, 3.0/1811=4...(9) H VAL 71 - HD2 LYS 24 OK 19 96 - 19 - 11354/3.7=6, 11348/5.3=5 H THR 18 - HD2 LYS 24 poor 9 81 - 11 - 4.7/11359=4, 11348/5.3=3 H ASN 128 - HD2 LYS 24 lone 3 68 - 4 - 11348/5.3=1 Peak 11361 from cnoeabs.peaks (2.93, 1.63, 29.31 ppm; 2.50 A): 3 out of 7 assignments used, quality = 0.59: HE3 LYS 93 + HD2 LYS 24 OK 33 92 - 36 - 3.0/10911=14...(7) HE2 LYS 61 + HD2 LYS 24 OK 22 100 - 23 - 10891/3.0=5, 10892/3.0=5...(8) HE3 LYS 61 + HD2 LYS 24 OK 21 100 - 21 - 10891/3.0=5, 10892/3.0=4...(8) HB2 HIS 14 - HD2 LYS 24 lone 6 94 - 7 - 11335/3.0=2, 11333/3.0=2...(4) HE3 LYS 85 - HD2 LYS 24 lone 4 77 - 5 - 3076/10911=1 HE3 LYS 48 - HD2 LYS 24 lone 3 62 - 5 - 3076/10911=1 HB3 ASN 130 - HD2 LYS 24 lone 1 99 - 1 - Peak 11362 from cnoeabs.peaks (1.90, 1.63, 29.31 ppm; 2.80 A): 3 out of 12 assignments used, quality = 0.84: HB2 LYS 24 + HD2 LYS 24 OK 66 100 - 66 - 3.7=44, 3.0/10914=15...(9) HB3 LYS 93 + HD2 LYS 24 OK 40 77 - 53 - 2.9/10913=15...(15) HB ILE 101 + HD2 LYS 24 OK 19 100 - 19 - 11328/3.7=2, 11336/3.0=2...(9) HG13 ILE 83 - HD2 LYS 24 lone 8 81 - 10 - 1.8/11365=3, 2.1/10003=2 HB3 GLN 111 - HD2 LYS 24 lone 6 98 - 6 - 11328/3.7=1, 11336/3.0=1 HB3 ARG 89 - HD2 LYS 24 lone 5 100 - 5 - HB3 LEU 69 - HD2 LYS 24 lone 4 100 - 4 - QE MET 68 - HD2 LYS 24 lone 4 99 - 4 - HB3 ARG 141 - HD2 LYS 24 lone 3 62 - 6 - HB3 ARG 140 - HD2 LYS 24 lone 3 81 - 4 - HB2 LYS 86 - HD2 LYS 24 lone 3 72 - 4 - 3.5/10911=1 HB ILE 136 - HD2 LYS 24 lone 1 89 - 1 - Peak 11363 from cnoeabs.peaks (1.63, 1.63, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 Peak 11364 from cnoeabs.peaks (1.41, 1.63, 29.31 ppm; 2.58 A): 4 out of 7 assignments used, quality = 0.93: HG2 LYS 24 + HD2 LYS 24 OK 81 100 - 82 - 3.0=67, 1.8/10914=19...(12) HG3 LYS 93 + HD2 LYS 24 OK 51 100 - 51 - 3.0/10911=15...(14) HD2 LYS 114 + HD2 LYS 24 OK 14 94 - 15 - 10906/3.0=3, 10887/3.7=2...(4) HG2 LYS 36 + HD2 LYS 24 OK 11 100 - 12 - 10906/3.0=2, 11339/3.0=2 HG12 ILE 91 - HD2 LYS 24 poor 10 81 - 12 - 10899/3.0=2, 10883/3.7=2 HB2 ARG 35 - HD2 LYS 24 lone 5 85 - 5 - 3.6/6179=1, 10906/3.0=1 HG LEU 116 - HD2 LYS 24 lone 3 77 - 4 - Peak 11365 from cnoeabs.peaks (1.30, 1.63, 29.31 ppm; 2.65 A): 3 out of 5 assignments used, quality = 0.90: HG3 LYS 24 + HD2 LYS 24 OK 84 100 - 84 - 3.0=72, 1.8/11364=15...(11) HG LEU 87 + HD2 LYS 24 OK 32 100 - 32 - 10907/3.0=4, 11332/3.7=3...(14) HG12 ILE 83 + HD2 LYS 24 OK 10 99 - 10 - 2.1/10003=2, 1.8/11362=1 HG LEU 79 - HD2 LYS 24 lone 9 94 - 10 - 10907/3.0=2 HG13 ILE 58 - HD2 LYS 24 lone 1 81 - 1 - Peak 11366 from cnoeabs.peaks (7.39, 4.06, 59.94 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.48: H LYS 114 + HA LYS 24 OK 31 94 - 33 - 3.9/11320=14...(6) H ARG 49 + HA LYS 24 OK 25 98 - 25 - 4.9/11320=8, 11345/5.3=8...(4) H ASP 41 - HA LYS 24 lone 3 72 - 4 - 3754/11320=1 Peak 11367 from cnoeabs.peaks (4.04, 3.06, 38.91 ppm; 5.40 A): 2 out of 2 assignments used, quality = 0.69: HA GLN 25 + HB2 TYR 27 OK 61 100 - 61 - 11460/4.7=27...(8) HD2 PRO 33 + HB2 TYR 27 OK 19 89 - 21 - 11368/1.8=9, 3.0/8446=3...(7) Peak 11368 from cnoeabs.peaks (4.05, 2.97, 38.91 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.68: HA GLN 25 + HB3 TYR 27 OK 46 94 - 49 - 11367/1.8=19...(6) HA LYS 24 + HB3 TYR 27 OK 27 85 - 31 - 11340/2.6=8, 11314/1.8=6...(7) HD2 PRO 33 + HB3 TYR 27 OK 20 100 - 20 - 11367/1.8=6...(6) HD3 PRO 118 - HB3 TYR 27 lone 3 62 - 5 - 10859/4.7=2, 1.8/10823=1 Peak 11370 from cnoeabs.peaks (2.92, 1.90, 33.14 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.51: HB2 HIS 14 + HB2 LYS 24 OK 51 96 - 53 - 1.8/10879=12, ~10870=11...(10) HD2 ARG 35 - HB2 LYS 24 lone 9 94 - 10 - ~622=2, 10992/10877=2...(5) Peak 11371 from cnoeabs.peaks (4.65, 1.90, 33.14 ppm; 4.72 A): 5 out of 7 assignments used, quality = 0.81: HA GLN 62 + HB2 LYS 24 OK 40 92 - 44 - 2.9/11350=19, ~9819=6...(12) HA LEU 87 + HB2 LYS 24 OK 34 68 - 51 - 3.0/10882=9, 4.3/11326=8...(15) HA GLN 111 + HB2 LYS 24 OK 33 85 - 39 - 10243/11341=4, 3607=4...(17) HA ASP 32 + HB2 LYS 24 OK 17 81 - 21 - 3.8/10877=9, 4.8/9790=3...(6) HA MET 11 + HB2 LYS 24 OK 12 81 - 14 - 3.0/11323=2, 5.1/43=2...(6) HA ASN 139 - HB2 LYS 24 lone 9 100 - 9 - 6585/11350=1, 3.0/10494=1 HG1 THR 110 - HB2 LYS 24 lone 3 85 - 3 - ~9290=1 Peak 11372 from cnoeabs.peaks (2.44, 1.30, 24.28 ppm; 4.55 A): 4 out of 6 assignments used, quality = 0.76: HB3 PRO 33 + HG3 LYS 24 OK 48 89 - 54 - 3.0/11311=8, 2.3/11373=6...(20) HG3 GLU 28 + HG3 LYS 24 OK 41 81 - 50 - 10862=20, 10893/1.8=18...(7) HG3 GLU 131 + HG3 LYS 24 OK 11 100 - 11 - 10893/1.8=4, ~10893=2 HG2 MET 11 + HG3 LYS 24 OK 11 100 - 11 - ~10599=3, ~37=1, ~43=1, ~11323=1 HG2 MET 68 - HG3 LYS 24 poor 9 72 - 12 - ~1989=1, ~1986=1 HB3 GLU 131 - HG3 LYS 24 lone 9 85 - 10 - 10893/1.8=3, ~10893=2 Peak 11373 from cnoeabs.peaks (2.08, 1.30, 24.28 ppm; 5.39 A): 5 out of 10 assignments used, quality = 0.96: HB2 LEU 26 + HG3 LYS 24 OK 60 98 - 61 - 3.0/10889=9, ~10890=7...(21) HG3 PRO 33 + HG3 LYS 24 OK 60 81 - 73 - 2.3/10894=20...(21) HB3 GLN 62 + HG3 LYS 24 OK 38 89 - 43 - 4.0/9819=11, ~11371=6...(14) HB3 LYS 61 + HG3 LYS 24 OK 37 99 - 37 - 4.8/10891=15...(3) HB3 LYS 36 + HG3 LYS 24 OK 34 72 - 47 - ~10906=6, ~651=5...(16) HD2 ARG 49 - HG3 LYS 24 OK 16 94 - 17 - 6.4/11344=8, 8193/9146=1 HB2 GLU 131 - HG3 LYS 24 OK 16 89 - 18 - 2.9/11372=4, ~10893=3...(5) HG2 PRO 118 - HG3 LYS 24 OK 14 89 - 15 - 2.3/11311=3, ~11308=2...(6) HB2 PRO 129 - HG3 LYS 24 lone 7 100 - 7 - HG2 GLU 122 - HG3 LYS 24 lone 4 100 - 4 - Peak 11374 from cnoeabs.peaks (4.54, 7.96, 57.75 ppm; 4.59 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11375 from cnoeabs.peaks (1.21, 0.63, 25.34 ppm; 3.64 A): 3 out of 4 assignments used, quality = 0.92: HG12 ILE 56 + QD2 LEU 64 OK 68 99 - 69 - 1.8/10916=19, 1470=12...(20) HG13 ILE 56 + QD2 LEU 64 OK 67 98 - 68 - 10916=20, 1.8/1470=11...(20) QG2 THR 107 + QD2 LEU 64 OK 26 62 - 42 - 10916=14, ~10164=9...(10) HD3 LYS 123 - QD2 LEU 64 poor 9 68 - 13 - 10916=5, 3.0/8374=2...(4) Peak 11376 from cnoeabs.peaks (0.64, 1.17, 23.77 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.70: QD1 LEU 126 + QD1 LEU 69 OK 51 100 - 51 - 11377/3.2=8, 4301/2.1=7...(20) QD2 LEU 64 + QD1 LEU 69 OK 38 98 - 39 - 10624/2.1=12...(9) Peak 11377 from cnoeabs.peaks (0.64, 1.90, 41.39 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.89: QD1 LEU 126 + HB3 LEU 69 OK 78 100 - 78 - 11376/3.2=26...(21) QD2 LEU 64 + HB3 LEU 69 OK 52 92 - 56 - 11376/3.2=19...(11) Peak 11378 from cnoeabs.peaks (0.64, 1.38, 41.39 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 126 + HB2 LEU 69 OK 87 100 - 87 - 11376/3.2=28...(26) QD2 LEU 64 + HB2 LEU 69 OK 66 98 - 67 - 11376/3.2=21...(12) Peak 11379 from cnoeabs.peaks (2.70, 0.52, 22.80 ppm; 5.25 A): 5 out of 6 assignments used, quality = 0.85: HB3 TYR 115 + QD1 LEU 42 OK 55 72 - 76 - 2.9/10279=33, 10920=23...(11) HB3 CYS 121 + QD1 LEU 42 OK 42 96 - 44 - 10920=16, 4.1/10740=12...(8) HB2 ASN 84 + QD1 LEU 42 OK 24 77 - 31 - 1.8/8148=16, 8852/2.1=7...(5) HB2 ASP 137 + QD1 LEU 42 OK 18 92 - 19 - 10920=7, 9711/3.2=4...(4) HB2 ASP 32 + QD1 LEU 42 OK 11 85 - 13 - 10920=4, 3834/10279=2...(4) HB3 ASP 16 - QD1 LEU 42 lone 3 96 - 3 - Peak 11382 from cnoeabs.peaks (1.43, 2.22, 36.00 ppm; 4.87 A): 0 out of 2 assignments used, low quality = 0.11: HG12 ILE 91 - HG2 GLU 28 OK 11 94 - 12 - 8054/1.8=8, 2973/9868=2 HB3 LYS 114 - HG2 GLU 28 lone 1 94 - 2 - Peak 11385 from cnoeabs.peaks (1.24, 6.70, 117.94 ppm; 6.62 A): 0 out of 3 assignments used, low quality = 0.00: HG12 ILE 101 - QE TYR 70 lone 3 99 - 3 - HB3 LEU 87 - QE TYR 70 lone 2 100 - 2 - QG2 THR 107 - QE TYR 70 lone 2 62 - 4 - Peak 11386 from cnoeabs.peaks (2.85, 6.70, 117.94 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HB2 CYS 121 - QE TYR 70 lone 2 62 - 3 - Peak 11389 from cnoeabs.peaks (4.37, 3.60, 44.61 ppm; 4.01 A): 0 out of 4 assignments used, low quality = 0.00: HA ASN 96 - HA2 GLY 31 lone 2 99 - 2 - 6142/3.0=1 HB THR 18 - HA2 GLY 31 lone 2 81 - 2 - 6142/3.0=1 HB THR 51 - HA2 GLY 31 lone 0 89 - 1 - HA ARG 144 - HA2 GLY 31 lone 0 81 - 1 - Peak 11393 from cnoeabs.peaks (1.73, 0.96, 19.03 ppm; 4.99 A): 3 out of 9 assignments used, quality = 0.95: HB2 ARG 49 + QG2 THR 51 OK 73 85 - 86 - 1.8/8225=24, 3.7/8216=24...(10) HB3 ARG 144 + QG2 THR 51 OK 64 100 - 64 - 3.0/8226=12, 4893/2.1=10...(18) HG3 ARG 89 + QG2 THR 51 OK 44 96 - 46 - 3.0/8215=17, 3.0/8215=11...(9) HB2 GLU 81 - QG2 THR 51 OK 25 92 - 27 - 3.0/10985=4, ~8768=3...(10) HB3 GLU 81 - QG2 THR 51 OK 25 99 - 25 - 3.0/10985=4, ~8768=3...(7) HG LEU 66 - QG2 THR 51 OK 22 94 - 23 - 3.7/8213=6, 2.1/10990=5...(6) HD2 LYS 36 - QG2 THR 51 OK 18 100 - 18 - 5.6/6199=4, 5.3/659=2...(5) HG3 ARG 140 - QG2 THR 51 OK 14 89 - 16 - 8220/4.0=2, 2895/8215=2...(7) HB3 ARG 109 - QG2 THR 51 OK 10 89 - 11 - 1.8/8225=4 Peak 11395 from cnoeabs.peaks (7.71, 1.96, 30.27 ppm; 6.77 A): 4 out of 4 assignments used, quality = 0.93: H GLN 62 + HB2 LYS 61 OK 72 72 - 100 - 4.6=100 H LEU 132 + HB2 LYS 61 OK 56 81 - 69 - 4.1/8331=25, 4.5/9549=10...(14) H SER 100 + HB2 LYS 61 OK 30 81 - 37 - ~9161=6, ~9161=5...(10) HD21 ASN 128 + HB2 LYS 61 OK 20 100 - 20 - 10373/9549=3, ~9515=3...(7) Peak 11397 from cnoeabs.peaks (8.99, 2.29, 33.54 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11399 from cnoeabs.peaks (4.58, 2.29, 33.54 ppm; 5.36 A): 0 out of 2 assignments used, low quality = 0.40: HA ASN 130 - HG2 GLN 62 OK 23 96 - 24 - 10931=4, 3.0/9540=4...(9) HA ASN 130 - HG3 GLN 62 OK 21 93 - 23 - 10931=4, 10931/1.8=4...(9) Peak 11400 from cnoeabs.peaks (8.34, 3.08, 43.05 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: H GLY 78 + HA2 GLY 78 OK 100 100 - 100 - 3.0=100 H ASP 13 - HA2 GLY 78 OK 11 100 - 10 - 2351/1.8=4, 6843/3.6=2, ~108=1 Peak 11401 from cnoeabs.peaks (7.64, 0.71, 25.72 ppm; 4.69 A): 3 out of 6 assignments used, quality = 0.90: H VAL 82 + QD1 LEU 87 OK 81 85 - 95 - 3.2/8882=43, 4.0/8883=33...(20) H GLU 122 + QD1 LEU 87 OK 34 98 - 34 - 3.1/8907=16, 9452/8882=4...(9) H LEU 66 + QD1 LEU 87 OK 23 100 - 23 - 2491/8882=6, 2485/8883=5...(8) H LEU 97 - QD1 LEU 87 lone 7 85 - 8 - 9098/7014=1, 7156/3.2=1 H GLY 50 - QD1 LEU 87 lone 7 72 - 9 - 4.7/10061=3 HD21 ASN 130 - QD1 LEU 87 lone 3 100 - 3 - Peak 11402 from cnoeabs.peaks (7.34, 0.71, 25.72 ppm; 5.57 A): 3 out of 3 assignments used, quality = 0.81: H GLU 81 + QD1 LEU 87 OK 63 85 - 74 - 3.4/11401=21...(10) H ARG 109 + QD1 LEU 87 OK 31 99 - 32 - 9977/8882=7, 9974/8883=7...(10) QD PHE 43 + QD1 LEU 87 OK 24 85 - 28 - ~10827=10, 3.1/10827=6...(5) Peak 11403 from cnoeabs.peaks (6.77, 0.71, 25.72 ppm; 5.34 A): 0 out of 2 assignments used, low quality = 0.00: QE TYR 112 - QD1 LEU 87 lone 4 77 - 5 - HZ3 TRP 17 - QD1 LEU 87 lone 1 100 - 1 - Peak 11404 from cnoeabs.peaks (7.77, 0.71, 22.21 ppm; 4.40 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 133 - QD2 LEU 87 lone 3 68 - 4 - ~11406=2 Peak 11406 from cnoeabs.peaks (6.79, 1.30, 26.06 ppm; 6.80 A): 4 out of 8 assignments used, quality = 0.89: H LYS 76 + HG LEU 87 OK 72 100 - 72 - ~8652=24, ~8652=20...(9) QE TYR 112 + HG LEU 79 OK 36 38 - 95 - ~8717=48, ~8717=41...(10) HE21 GLN 133 + HG LEU 87 OK 31 62 - 49 - ~11404=48 QE TYR 112 + HG LEU 87 OK 10 85 - 12 - 11403/2.1=3...(3) H LYS 76 - HG LEU 79 poor 9 51 - 18 - 8620/2.1=5, 8823/10056=5...(4) HD21 ASN 96 - HG LEU 87 lone 3 81 - 4 - 8823/10056=1 HD21 ASN 96 - HG LEU 79 lone 2 36 - 6 - HE21 GLN 133 - HG LEU 79 lone 1 26 - 3 - Peak 11407 from cnoeabs.peaks (7.54, 1.23, 42.32 ppm; 6.75 A): 2 out of 5 assignments used, quality = 1.00: H TRP 88 + HB3 LEU 87 OK 100 100 - 100 - 4.6=100 H ILE 91 + HB3 LEU 87 OK 69 85 - 81 - 2816/3.2=19, 2808/3.1=19...(12) H LYS 86 - HB3 LEU 87 OK 44 62 - 70 - 4.7/7002=33, ~8873=15...(7) H LEU 95 - HB3 LEU 87 OK 23 100 - 23 - 2816/3.2=5, 2808/3.1=4...(5) HD21 ASN 54 - HB3 LEU 87 lone 5 62 - 9 - 6990/4.0=6 Peak 11408 from cnoeabs.peaks (4.16, 0.71, 22.21 ppm; 4.80 A): 2 out of 10 assignments used, quality = 0.95: HA LYS 76 + QD2 LEU 87 OK 90 100 - 91 - 8652=27, 2.9/8897=24...(25) HA TRP 88 + QD2 LEU 87 OK 47 62 - 75 - 3.0/2808=22, ~7014=13...(17) HA LEU 126 - QD2 LEU 87 OK 33 96 - 34 - 8903/2.1=7, 3.0/8897=6...(11) HA GLU 120 - QD2 LEU 87 OK 23 92 - 25 - 8903/2.1=7, 3.8/8899=4...(7) HB3 SER 44 - QD2 LEU 87 OK 20 98 - 20 - 8903/2.1=4, ~8903=3...(6) HB2 SER 44 - QD2 LEU 87 OK 20 98 - 20 - 8903/2.1=4, ~8903=3...(6) HA PHE 38 - QD2 LEU 87 poor 8 68 - 11 - 8903/2.1=2, 3.0/8900=2 HA3 GLY 125 - QD2 LEU 87 lone 6 100 - 6 - 8903/2.1=2 HA GLU 131 - QD2 LEU 87 lone 5 77 - 7 - 8903/2.1=1 HG1 THR 74 - QD2 LEU 87 lone 3 62 - 5 - Peak 11413 from cnoeabs.peaks (0.34, 1.61, 42.32 ppm; 6.18 A): 3 out of 4 assignments used, quality = 0.99: HG2 LYS 123 + HB2 LEU 87 OK 92 96 - 96 - ~9465=29, 10060/3.1=25...(30) QD1 ILE 91 + HB3 LEU 64 OK 70 78 - 90 - ~8968=20, 8979/3.0=16...(30) QD1 ILE 91 + HB2 LEU 87 OK 51 81 - 63 - 10066/3.2=13, ~10771=13...(11) HG2 LYS 123 - HB3 LEU 64 OK 28 93 - 30 - ~10916=3, ~10626=3...(13) Peak 11414 from cnoeabs.peaks (2.42, 4.27, 54.31 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.74: HG2 MET 68 + HA LEU 95 OK 59 85 - 69 - 3.3/8420=18, 8428/3.9=15...(17) QE MET 46 + HA LEU 95 OK 22 100 - 22 - 9071/4.0=4, 9071/3125=3...(7) HB3 PRO 118 + HA LEU 95 OK 19 100 - 19 - 9071/4.0=2, ~3128=2...(7) HG2 GLN 133 - HA LEU 95 lone 8 100 - 8 - 9071/4.0=1 HG3 GLN 133 - HA LEU 95 lone 8 100 - 8 - 9071/4.0=1 HG2 GLN 47 - HA LEU 95 lone 6 98 - 6 - HG3 GLN 47 - HA LEU 95 lone 6 98 - 6 - HB3 PRO 33 - HA LEU 95 lone 5 68 - 8 - 1995/8420=2, 8428/3.9=1 Peak 11415 from cnoeabs.peaks (3.65, 1.70, 42.25 ppm; 6.28 A): 3 out of 3 assignments used, quality = 0.99: HD3 PRO 12 + HB3 LEU 95 OK 90 99 - 91 - 8732/3.1=22, 9064/3.0=16...(27) HA THR 92 + HB3 LEU 95 OK 88 100 - 89 - 9003/3.9=24, 9061/3.0=20...(20) HA2 GLY 94 + HB3 LEU 95 OK 53 72 - 73 - 3.5/7117=34, ~9066=18...(13) Peak 11416 from cnoeabs.peaks (7.15, 0.78, 22.56 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.90: QD TYR 117 + QD1 LEU 79 OK 77 92 - 84 - 8716/2.1=41, 2.2/9976=33...(12) QE TYR 115 + QD1 LEU 79 OK 46 98 - 47 - 9929/4.2=20, 8716/2.1=13...(8) QE TYR 115 + QD2 LEU 95 OK 16 82 - 19 - 4718/2.1=5, 9443/9450=3...(6) QD TYR 117 - QD2 LEU 95 poor 9 74 - 12 - 2.2/9976=4, 8716/2402=4, 9979=1 QE TYR 115 - QG2 THR 74 poor 9 63 - 14 - 9929/6851=2, 4749/4304=2...(5) QD TYR 117 - QG2 THR 74 lone 5 56 - 9 - 8716/2395=3, 2.2/9976=2 Peak 11417 from cnoeabs.peaks (9.20, 0.82, 26.88 ppm; 6.39 A): 0 out of 4 assignments used, low quality = 0.39: H ASP 65 - QD1 LEU 95 OK 26 81 - 32 - 9853/2.1=9, ~9886=8...(8) H ASP 65 - HG LEU 42 OK 18 78 - 23 - 5.0/941=5, 3.6/10093=5...(6) H TYR 112 - QD1 LEU 95 poor 9 77 - 12 - 9919/10097=4, 9298/2.1=4 H TYR 112 - HG LEU 42 poor 9 74 - 13 - 9919/10097=4, ~10740=2 Peak 11424 from cnoeabs.peaks (6.89, 1.60, 41.43 ppm; 6.80 A): 0 out of 6 assignments used, low quality = 0.42: HD2 HIS 14 - HB2 LEU 97 OK 30 99 - 31 - 4777/4.8=25, 10594/10598=5 HE21 GLN 25 - HB2 LEU 97 OK 17 100 - 17 - ~9127=7, ~9128=3...(4) HZ PHE 23 - HB2 LEU 97 poor 8 72 - 11 - 4807/3.2=5...(3) HE21 GLN 22 - HB2 LEU 97 lone 7 94 - 8 - 1.7/11285=5 HE21 GLN 111 - HB2 LEU 97 lone 3 92 - 3 - HE22 GLN 47 - HB2 LEU 97 lone 3 68 - 4 - Peak 11426 from cnoeabs.peaks (3.63, 1.26, 41.43 ppm; 5.55 A): 2 out of 3 assignments used, quality = 0.71: HA LYS 61 + HB3 LEU 97 OK 52 68 - 77 - 3.0/1665=10, 3.0/1676=9...(25) HA2 GLY 94 + HB3 LEU 97 OK 41 98 - 41 - 10945/1.8=11...(10) HD3 PRO 12 - HB3 LEU 97 lone 4 68 - 5 - 9101/4.0=2, ~10108=1 Peak 11427 from cnoeabs.peaks (4.37, 0.85, 22.50 ppm; 3.79 A): 1 out of 5 assignments used, quality = 0.60: HA ASN 96 + QD2 LEU 97 OK 60 89 - 68 - 3.6/7159=20, 3.0/9081=18...(11) HA ARG 144 - QD2 LEU 97 lone 8 96 - 8 - 3.9/3218=1, ~10132=1 HA ASP 65 - QD2 LEU 97 lone 6 72 - 8 - 3.6/3216=1, 3.0/6627=1 HB THR 51 - QD2 LEU 97 lone 5 99 - 5 - 7150/5.0=1 HA3 GLY 77 - QD2 LEU 97 lone 1 72 - 1 - Peak 11430 from cnoeabs.peaks (3.13, -0.23, 40.39 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.75: HA LEU 39 + HB2 LEU 42 OK 60 81 - 74 - 825=36, 11436/3.1=27...(8) HA VAL 80 + HB2 LEU 42 OK 18 99 - 18 - 6304/3.8=5, 6320/4.5=4...(5) HD3 ARG 145 + HB2 LEU 42 OK 12 68 - 18 - ~8150=7, ~8150=4...(4) HD2 ARG 145 + HB2 LEU 42 OK 11 62 - 18 - ~8150=7, ~8150=4...(4) HB3 PHE 106 - HB2 LEU 42 lone 4 92 - 4 - HA LEU 79 - HB2 LEU 42 lone 3 94 - 4 - Peak 11431 from cnoeabs.peaks (-0.23, 0.81, 26.98 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LEU 42 + QD1 LEU 95 OK 97 99 - 98 - 925=24, 3.2/943=23...(25) Peak 11433 from cnoeabs.peaks (-0.01, 0.52, 22.80 ppm; 6.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11434 from cnoeabs.peaks (0.00, 0.31, 25.30 ppm; 6.02 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11436 from cnoeabs.peaks (0.30, 3.14, 57.29 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.72: QD2 LEU 42 + HA LEU 39 OK 72 81 - 89 - 8122/3.9=49, 3.1/825=37...(13) Peak 11437 from cnoeabs.peaks (0.27, 0.02, 26.33 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11438 from cnoeabs.peaks (0.54, 0.02, 26.33 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11439 from cnoeabs.peaks (0.54, 0.67, 22.21 ppm; 3.75 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11440 from cnoeabs.peaks (0.29, 1.45, 43.18 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11444 from cnoeabs.peaks (1.81, 2.47, 38.94 ppm; 6.03 A): 6 out of 9 assignments used, quality = 0.90: HB3 MET 68 + HB2 ASP 65 OK 64 77 - 83 - 1.8/11529=49, 11481=21...(11) HB VAL 80 + HB2 ASP 65 OK 32 96 - 33 - 9887/1.8=8, 2.1/8382=8...(6) HB3 LEU 72 + HB2 ASP 65 OK 31 100 - 31 - ~8386=7, 3.2/8382=5...(8) HB2 ARG 141 + HB2 ASP 65 OK 21 77 - 27 - 11481=5, ~10954=5...(9) HD3 LYS 36 + HB2 ASP 65 OK 12 85 - 14 - ~8385=3, ~8385=3...(6) HB3 LYS 24 + HB2 ASP 65 OK 11 68 - 16 - ~10901=8, ~10869=3...(4) HB2 ARG 124 - HB2 ASP 65 lone 8 85 - 9 - ~11445=1, 9887/1.8=1 HB2 MET 11 - HB2 ASP 65 lone 7 99 - 8 - 1962/11529=2, 9779/8065=2 HD3 LYS 86 - HB2 ASP 65 lone 3 81 - 4 - 9779/8065=1 Peak 11445 from cnoeabs.peaks (1.67, 3.04, 38.94 ppm; 6.80 A): 3 out of 11 assignments used, quality = 0.93: HB2 MET 68 + HB3 ASP 65 OK 81 89 - 92 - 11529/1.8=41, ~11481=35...(15) HB2 LEU 95 + HB3 ASP 65 OK 51 98 - 52 - 3.1/8384=18, ~8382=13...(8) HG3 ARG 141 + HB3 ASP 65 OK 26 77 - 34 - ~11481=7, 2.8/9887=7...(10) HB VAL 71 - HB3 ASP 65 OK 15 98 - 15 - 1985/8445=2, 1993/8450=2...(5) HG2 ARG 124 - HB3 ASP 65 OK 11 92 - 12 - 11070/8384=2, ~11444=1...(5) HG LEU 97 - HB3 ASP 65 OK 11 72 - 15 - ~11427=3, 10819/3.0=3...(5) HG2 ARG 89 - HB3 ASP 65 lone 9 98 - 9 - ~8385=2, ~8385=2, 10819/3.0=1 HD2 LYS 93 - HB3 ASP 65 lone 9 94 - 9 - ~10819=3, 3154/8384=1 HD3 LYS 48 - HB3 ASP 65 lone 9 100 - 9 - 10819/3.0=1, 10952/1.8=1 HD2 LYS 48 - HB3 ASP 65 lone 9 98 - 9 - 10819/3.0=1, ~10952=1, ~10819=1 HB2 ARG 145 - HB3 ASP 65 lone 5 100 - 5 - Peak 11446 from cnoeabs.peaks (1.18, 2.47, 38.94 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.95: QD1 LEU 26 + HB2 ASP 65 OK 95 100 - 95 - ~10818=43, 10902/3.0=36...(17) HB3 LEU 108 - HB2 ASP 65 OK 29 92 - 31 - ~8383=7, ~8387=7...(9) HB2 LEU 72 - HB2 ASP 65 OK 24 77 - 31 - 1.8/11444=8, 3.2/8382=5...(7) HG2 LYS 76 - HB2 ASP 65 OK 21 68 - 31 - 8075/8065=9, 8386/3.0=8...(7) QD1 LEU 69 - HB2 ASP 65 OK 20 77 - 26 - 9875/4.0=10, 9932/3.0=7...(5) Peak 11447 from cnoeabs.peaks (4.03, 4.43, 58.05 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.79: HA VAL 63 + HA ILE 58 OK 75 100 - 75 - 8364=24, 8348/3.2=14...(13) HA GLU 81 + HA ILE 58 OK 15 96 - 16 - 8284/4.1=3, 8282/3.0=2...(7) HA GLU 37 - HA ILE 58 lone 8 94 - 8 - 8284/4.1=2, 8298/3.6=1 HA LYS 123 - HA ILE 58 lone 6 89 - 7 - 8284/4.1=1 HA GLN 25 - HA ILE 58 lone 6 62 - 9 - 8282/3.0=3, 8298/3.6=2 HB THR 107 - HA ILE 58 lone 5 81 - 6 - 8284/4.1=1 Peak 11448 from cnoeabs.peaks (8.29, 4.43, 58.05 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.75: H LEU 64 + HA ILE 58 OK 67 99 - 68 - 3.6/10955=23, 8365=16...(8) H VAL 71 + HA ILE 58 OK 25 100 - 25 - 10580/3.2=7, 9812/4.1=4...(9) H THR 18 - HA ILE 58 poor 9 92 - 10 - 3.0/10855=3, 10580/3.2=2 H ASN 128 - HA ILE 58 poor 8 81 - 10 - 4.6/1552=4, 10580/3.2=3 Peak 11450 from cnoeabs.peaks (8.97, 4.03, 62.73 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.87: H MET 59 + HA VAL 63 OK 83 100 - 83 - 8298=30, 3.6/11447=28...(11) H SER 127 + HA VAL 63 OK 26 96 - 26 - 10365/3.2=6, 10365/3.2=4...(10) Peak 11451 from cnoeabs.peaks (8.99, 0.91, 21.64 ppm; 5.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11452 from cnoeabs.peaks (9.00, 0.93, 20.65 ppm; 5.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11453 from cnoeabs.peaks (9.20, 0.93, 20.65 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.79: H ASP 65 + QG2 VAL 63 OK 72 100 - 72 - 3.0/10867=21...(13) H TYR 112 + QG2 VAL 63 OK 26 99 - 26 - 11454/2.1=5, 7359/2.1=3...(8) Peak 11454 from cnoeabs.peaks (9.19, 0.91, 21.64 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: H ASP 65 + QG1 VAL 63 OK 96 100 - 96 - 11453/2.1=36, ~8387=32...(21) H TYR 112 + QG1 VAL 63 OK 45 100 - 45 - 11453/2.1=13...(14) Peak 11455 from cnoeabs.peaks (1.68, 0.91, 21.64 ppm; 3.67 A): 3 out of 6 assignments used, quality = 0.69: HG LEU 26 + QG1 VAL 63 OK 55 98 - 56 - 9870=13, ~10575=10...(13) HG LEU 97 + QG1 VAL 63 OK 17 100 - 17 - 9870=5, ~10107=2...(6) HD2 LYS 93 + QG1 VAL 63 OK 16 96 - 16 - 10956/3.2=6, 1.8/9870=3...(5) HD3 LYS 48 - QG1 VAL 63 lone 7 81 - 9 - 9870=3, 1.8/9870=1, ~8352=1 HG3 ARG 141 - QG1 VAL 63 lone 6 100 - 6 - 9870=2, 10505/10569=1 HB2 ARG 145 - QG1 VAL 63 lone 3 62 - 5 - 9870=2 Peak 11457 from cnoeabs.peaks (8.34, 3.58, 50.40 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.96: H ASP 13 + HD2 PRO 12 OK 96 100 - 96 - 6008=50, 75/3.6=44...(9) H GLY 78 - HD2 PRO 12 OK 30 100 - 30 - 91/3.0=8, 83/3.0=8...(5) Peak 11458 from cnoeabs.peaks (8.14, 2.93, 30.32 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.99: H HIS 14 + HB2 HIS 14 OK 99 99 - 100 - 3.9=100 H SER 138 - HB2 HIS 14 OK 12 98 - 13 - 7776/4.2=5, 3.2/11058=5 H THR 107 - HB2 HIS 14 lone 3 80 - 4 - Peak 11459 from cnoeabs.peaks (7.23, 3.29, 30.04 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.81: HE3 TRP 17 + HB3 TRP 17 OK 81 81 - 100 - 4.2=100 H GLU 37 - HB3 TRP 17 poor 10 72 - 13 - 10086/9032=7, 5522/6.4=4 QD PHE 45 - HB3 TRP 17 lone 9 94 - 10 - 5522/6.4=4, 10086/9032=3 HZ PHE 106 - HB3 TRP 17 lone 4 62 - 6 - 5649/6.5=2, 5648/10959=1 Peak 11460 from cnoeabs.peaks (7.70, 4.04, 58.58 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.65: H GLU 28 + HA GLN 25 OK 65 100 - 66 - 4.0/8052=14, 4.9/8053=12...(15) H ALA 134 - HA GLN 25 poor 10 94 - 11 - 7713/4.8=2, 311/8052=1...(5) H PHE 106 - HA GLN 25 lone 8 100 - 8 - 332/8053=1, 311/8052=1 Peak 11461 from cnoeabs.peaks (7.50, 2.17, 28.45 ppm; 5.47 A): 1 out of 4 assignments used, quality = 1.00: HE22 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 4.4=100 HE ARG 49 - HB2 GLN 25 OK 25 96 - 26 - 2.9/11512=7, 201/2.9=6...(6) HE21 GLN 47 - HB2 GLN 25 lone 4 68 - 6 - 201/2.9=1, ~11463=1, ~200=1 H TYR 70 - HB2 GLN 25 lone 4 85 - 4 - Peak 11462 from cnoeabs.peaks (7.18, 2.17, 28.45 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.56: H LYS 36 + HB2 GLN 25 OK 56 99 - 57 - 10786/2.9=15, ~10789=12...(11) Peak 11463 from cnoeabs.peaks (6.89, 2.10, 28.45 ppm; 6.63 A): 1 out of 6 assignments used, quality = 1.00: HE21 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 4.4=100 HE21 GLN 22 - HB3 GLN 25 OK 31 94 - 33 - ~11284=13, 6078/4.6=7...(6) HE21 GLN 111 - HB3 GLN 25 OK 14 92 - 15 - ~10771=4, 200/2.9=3...(4) HD2 HIS 14 - HB3 GLN 25 OK 12 99 - 12 - 200/2.9=4, 6078/4.6=3 HE22 GLN 47 - HB3 GLN 25 poor 7 68 - 10 - 200/2.9=2, ~11461=1...(4) HZ PHE 23 - HB3 GLN 25 lone 5 72 - 7 - 200/2.9=1, 6078/4.6=1 Peak 11464 from cnoeabs.peaks (0.58, 1.69, 26.81 ppm; 4.14 A): 4 out of 10 assignments used, quality = 0.96: QD1 LEU 66 + HG LEU 26 OK 72 92 - 78 - 10577/2.1=22, ~11466=15...(14) QG2 ILE 58 + HG LEU 26 OK 62 96 - 64 - 10572/2.1=38, 8275/3.0=9...(17) QD1 ILE 56 + HG LEU 26 OK 44 72 - 60 - 10595/2.1=23...(15) QD1 LEU 132 + HG LEU 26 OK 33 100 - 33 - 10577/2.1=11...(7) QD1 LEU 132 - HG LEU 97 OK 30 66 - 45 - 9600/2.1=5, 4512/3.0=5...(22) QG2 ILE 58 - HG LEU 97 OK 18 61 - 30 - 8293/4.3=10, 9863/3.0=4...(7) QD1 ILE 56 - HG LEU 97 OK 17 41 - 41 - ~9129=5, ~1474=3...(19) QG1 VAL 71 - HG LEU 26 OK 14 100 - 14 - 10577/2.1=5, 10911/2.1=3 QD1 LEU 66 - HG LEU 97 OK 10 56 - 18 - 9892/2.1=5, ~9901=3...(5) QG1 VAL 71 - HG LEU 97 lone 3 67 - 4 - Peak 11465 from cnoeabs.peaks (1.57, 1.08, 26.57 ppm; 3.60 A): 3 out of 18 assignments used, quality = 0.87: HB2 LEU 66 + QD2 LEU 26 OK 73 100 - 73 - 2.9/11466=15...(17) HB2 LEU 66 + HG2 ARG 35 OK 45 92 - 49 - 2.9/11466=11, 3.1/9900=8...(17) HG3 ARG 124 + QD2 LEU 26 OK 14 96 - 14 - 1.8/278=3, 10676/10595=2...(6) HD2 LYS 85 - QD2 LEU 26 lone 8 99 - 8 - 2628/2.1=1 HD3 LYS 85 - QD2 LEU 26 lone 7 99 - 7 - 2639/2.1=1 HB2 LEU 126 - QD2 LEU 26 lone 7 100 - 7 - HG3 ARG 109 - QD2 LEU 26 lone 6 92 - 7 - 3561/11466=2 HG2 ARG 109 - QD2 LEU 26 lone 5 92 - 5 - HG3 ARG 109 - HG2 ARG 35 lone 4 80 - 5 - 3561/11466=1 HG2 ARG 109 - HG2 ARG 35 lone 3 80 - 3 - HB2 LEU 126 - HG2 ARG 35 lone 3 91 - 3 - HG2 ARG 145 - QD2 LEU 26 lone 2 100 - 2 - HG3 ARG 145 - QD2 LEU 26 lone 2 99 - 2 - HG3 ARG 124 - HG2 ARG 35 lone 2 85 - 2 - HD3 LYS 85 - HG2 ARG 35 lone 2 89 - 2 - HD2 LYS 85 - HG2 ARG 35 lone 2 89 - 2 - HG2 ARG 145 - HG2 ARG 35 lone 1 91 - 1 - HG3 ARG 145 - HG2 ARG 35 lone 1 89 - 1 - Peak 11466 from cnoeabs.peaks (1.07, 1.72, 26.41 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 26 + HG LEU 66 OK 77 99 - 78 - 10571/2.1=19...(16) HG2 ARG 35 + HG LEU 66 OK 56 100 - 56 - 9900/2.1=10, ~10990=8...(17) Peak 11467 from cnoeabs.peaks (1.18, 1.72, 26.41 ppm; 3.98 A): 4 out of 5 assignments used, quality = 0.92: QD1 LEU 26 + HG LEU 66 OK 78 100 - 78 - 2.1/11466=23...(16) QD1 LEU 69 + HG LEU 66 OK 33 77 - 43 - 8474/2.1=14, ~9889=10...(7) HG2 LYS 76 + HG LEU 66 OK 31 68 - 45 - 9899/2.1=11, 9891/2.1=8...(19) HB3 LEU 108 + HG LEU 66 OK 20 92 - 22 - ~10174=8, 4.4/7293=5...(5) HB2 LEU 72 - HG LEU 66 poor 9 77 - 11 - ~9947=4, ~6743=3, 3.2/3148=1 Peak 11468 from cnoeabs.peaks (8.10, 1.68, 26.52 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.00: H ASP 16 - HG LEU 26 lone 4 66 - 7 - 6040/5.3=3 H ASP 16 - HG LEU 97 lone 3 100 - 3 - Peak 11469 from cnoeabs.peaks (1.83, 2.23, 36.00 ppm; 3.60 A): 0 out of 5 assignments used, low quality = 0.30: HD3 LYS 36 - HG2 GLU 37 OK 30 77 - 39 - 11486=18, 1.8/11487=8...(9) HB2 ARG 141 - HG2 GLU 37 lone 2 85 - 3 - 6223/4.4=2 HB3 MET 68 - HG2 GLU 37 lone 2 85 - 2 - 6223/4.4=1 HB2 LYS 93 - HG2 GLU 37 lone 1 89 - 1 - HB3 LEU 126 - HG2 GLU 37 lone 1 94 - 1 - Peak 11470 from cnoeabs.peaks (1.74, 2.23, 36.00 ppm; 4.74 A): 3 out of 8 assignments used, quality = 0.81: HD2 LYS 36 + HG2 GLU 37 OK 50 77 - 65 - 1.8/11486=43, 11487=12...(10) HB2 GLU 81 + HG2 GLU 37 OK 47 98 - 49 - 3.0/774=8, 1.8/11487=8...(18) HB2 PRO 12 + HG2 GLU 37 OK 29 57 - 50 - 2.3/102=9, 2.3/94=9...(11) HB ILE 83 - HG2 GLU 37 lone 4 89 - 5 - HB3 ARG 144 - HG2 GLU 37 lone 4 68 - 6 - 6222/4.4=2, 722/11486=2 HB2 ARG 49 - HG2 GLU 37 lone 4 100 - 4 - 6222/4.4=1 HG LEU 95 - HG2 GLU 37 lone 2 62 - 4 - HG3 ARG 140 - HG2 GLU 37 lone 2 99 - 2 - Peak 11472 from cnoeabs.peaks (0.01, 0.96, 25.10 ppm; 6.40 A): 1 out of 1 assignment used, quality = 0.68: QD1 LEU 39 + QD1 LEU 29 OK 68 77 - 88 - 10965=42, 2.1/847=17...(25) Peak 11473 from cnoeabs.peaks (8.40, 2.98, 42.06 ppm; 5.21 A): 1 out of 4 assignments used, quality = 1.00: H GLY 31 + HB2 ASP 30 OK 100 100 - 100 - 4.4=100 H GLU 75 - HB2 ASP 30 OK 18 92 - 19 - 6786=5, 6139/3.8=3...(6) H TYR 117 - HB2 ASP 30 OK 13 100 - 13 - 6139/3.8=6, 391/3.0=3 H SER 103 - HB2 ASP 30 lone 7 98 - 7 - 3.0/10149=2, 6149/8087=2...(4) Peak 11474 from cnoeabs.peaks (8.41, 3.07, 42.06 ppm; 4.88 A): 2 out of 16 assignments used, quality = 0.67: H GLY 31 + HB3 ASP 30 OK 62 62 - 100 - 4.4=100 H GLU 75 + HB3 ASP 30 OK 12 99 - 12 - 6786/1.8=6, ~6772=2, 6139/3.8=2 H GLY 31 - HE2 LYS 86 poor 9 49 - 19 - 3.6/398=6, 4.4/395=4...(6) H GLY 31 - HE3 LYS 86 poor 9 46 - 19 - 3.6/398=6, 4.4/395=4...(6) H TYR 117 - HB3 ASP 30 lone 5 62 - 8 - 6139/3.8=3, 11473/1.8=2 H GLU 75 - HE2 LYS 86 lone 2 85 - 2 - H GLU 75 - HE3 LYS 86 lone 2 82 - 2 - H LYS 61 - HE2 LYS 86 lone 1 73 - 2 - H LYS 61 - HE3 LYS 86 lone 1 70 - 2 - H LYS 61 - HE3 LYS 34 lone 1 38 - 3 - 6565/4.6=2 H GLY 31 - HE3 LYS 34 lone 1 24 - 5 - 4.7/6138=2 H LYS 61 - HB3 ASP 30 lone 1 89 - 1 - H TYR 117 - HE2 LYS 86 lone 1 49 - 2 - H GLU 75 - HE3 LYS 34 lone 1 46 - 2 - H TYR 117 - HE3 LYS 86 lone 1 46 - 2 - H TYR 117 - HE3 LYS 34 lone 0 24 - 1 - Peak 11475 from cnoeabs.peaks (7.29, 3.07, 42.06 ppm; 4.55 A): 3 out of 20 assignments used, quality = 0.73: H ASP 30 + HB3 ASP 30 OK 62 62 - 100 - 3.8=100 H ASP 30 + HE2 LYS 86 OK 16 49 - 32 - 3.0/398=6, 3.8/395=5...(9) H ASP 30 + HE3 LYS 86 OK 15 46 - 32 - 3.0/398=6, 3.8/395=5...(9) H PHE 67 - HE2 LYS 86 lone 8 87 - 10 - 11234/3.0=4...(3) H PHE 67 - HE3 LYS 86 lone 8 84 - 10 - 11234/3.0=4...(3) H PHE 67 - HE3 LYS 34 poor 7 48 - 15 - 11234/2.9=4, 11234/2.9=3...(5) QD TYR 115 - HB3 ASP 30 lone 4 72 - 5 - 387/3.0=2, 392/1.8=1 HZ2 TRP 17 - HE3 LYS 34 lone 3 40 - 7 - ~8040=6 H ASP 30 - HE3 LYS 34 poor 3 24 - 11 - 11171/3.7=2, 6138=1...(4) H PHE 67 - HB3 ASP 30 lone 2 100 - 2 - QD TYR 115 - HE3 LYS 34 lone 2 29 - 6 - 11171/3.7=3 QD TYR 115 - HE2 LYS 86 lone 2 57 - 3 - QD TYR 115 - HE3 LYS 86 lone 2 55 - 3 - HZ2 TRP 17 - HE2 LYS 86 lone 1 76 - 2 - HZ2 TRP 17 - HB3 ASP 30 lone 1 92 - 1 - HZ2 TRP 17 - HE3 LYS 86 lone 1 73 - 2 - QE PHE 106 - HE2 LYS 86 lone 1 66 - 1 - QE PHE 106 - HB3 ASP 30 lone 1 81 - 1 - QE PHE 106 - HE3 LYS 86 lone 1 62 - 1 - QE PHE 106 - HE3 LYS 34 lone 0 34 - 1 - Peak 11476 from cnoeabs.peaks (3.79, 2.09, 32.16 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.78: HA TYR 27 + HB3 LYS 36 OK 78 100 - 78 - ~11208=23, 5.6/10614=20...(10) HA GLN 47 - HB3 LYS 36 lone 9 89 - 10 - 10970/1.8=4, ~11664=3 Peak 11478 from cnoeabs.peaks (0.94, 2.43, 31.81 ppm; 5.88 A): 5 out of 6 assignments used, quality = 0.74: QG2 VAL 63 + HG2 MET 68 OK 37 89 - 42 - 10992/1.8=22, 9915=6...(5) HB2 LEU 108 + HG2 MET 68 OK 30 94 - 32 - ~9945=8, ~8427=4...(10) QG2 VAL 63 + HB3 PRO 33 OK 25 69 - 36 - ~8363=7, ~8363=7...(9) QG2 ILE 91 + HG2 MET 68 OK 13 89 - 14 - 11577/3.3=2, 8539/1976=2...(6) QG2 ILE 91 + HB3 PRO 33 OK 10 69 - 15 - ~8986=4, ~11619=3, ~8986=3 HB2 LEU 108 - HB3 PRO 33 lone 4 75 - 5 - Peak 11479 from cnoeabs.peaks (2.09, 1.50, 25.32 ppm; 4.02 A): 2 out of 8 assignments used, quality = 0.99: HG2 PRO 33 + HG2 LYS 34 OK 91 98 - 93 - 10994=22, 1.8/10997=19...(46) HG3 PRO 33 + HG2 LYS 34 OK 90 96 - 93 - 10997=23, 1.8/10994=19...(46) HG2 PRO 118 - HG2 LYS 34 OK 24 92 - 26 - ~10522=4, 2.3/516=3...(12) HB VAL 53 - HG2 LYS 34 OK 19 100 - 19 - 10581/4.0=7, 3.0/516=2...(6) HB2 GLU 131 - HG2 LYS 34 OK 15 92 - 16 - 1.8/9556=4, 4.0/9550=4 HB3 LYS 36 - HG2 LYS 34 OK 13 99 - 13 - 3.9/11170=6, 6160/5.0=2...(4) HB3 GLN 25 - HG2 LYS 34 lone 9 100 - 9 - ~10522=2, 6159/5.0=2 HB3 GLU 142 - HG2 LYS 34 lone 2 100 - 2 - Peak 11480 from cnoeabs.peaks (3.04, 1.82, 30.27 ppm; 4.70 A): 2 out of 12 assignments used, quality = 0.95: HB3 ASP 65 + HB3 MET 68 OK 79 100 - 79 - 1.8/11481=33, ~11529=32...(12) HB2 PHE 67 + HB3 MET 68 OK 77 100 - 77 - 6666/3.6=20, 8450/4.2=17...(14) HB3 ASP 65 - HB2 ARG 141 OK 23 97 - 23 - 1.8/11481=7, 9887=5...(6) HB3 ASP 65 - HB VAL 80 OK 19 65 - 29 - 1.8/11481=6, 8384/2.1=6...(6) HB2 PHE 67 - HB2 ARG 141 OK 12 97 - 13 - 4.4/1967=5, 8445/1972=1 HE2 LYS 34 - HB3 MET 68 OK 10 68 - 15 - 6666/3.6=6, 8448/4.4=2...(5) HB2 HIS 10 - HB3 MET 68 OK 10 81 - 12 - 4.7/10974=3, 8450/4.2=2...(7) HB2 PHE 67 - HB VAL 80 poor 9 65 - 14 - 4.4/6673=4, 3.7/11234=3, ~1931=2 HB2 HIS 10 - HB2 ARG 141 lone 3 76 - 3 - 4.7/10974=1 HB2 HIS 10 - HB VAL 80 lone 2 46 - 5 - ~9952=2 HE2 LYS 34 - HB2 ARG 141 lone 1 63 - 2 - HE2 LYS 34 - HB VAL 80 lone 1 37 - 2 - Peak 11481 from cnoeabs.peaks (2.48, 1.82, 30.27 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.60: HB2 ASP 65 + HB3 MET 68 OK 54 94 - 57 - 11529/1.8=35...(10) HB2 ASP 65 + HB2 ARG 141 OK 12 90 - 13 - 1.8/9887=3, 11529/1962=2...(7) HB2 ASP 65 - HB VAL 80 poor 10 57 - 17 - 8382/2.1=4, 1.8/9887=3...(6) Peak 11482 from cnoeabs.peaks (3.79, 1.87, 32.16 ppm; 5.09 A): 6 out of 6 assignments used, quality = 0.93: HA TYR 27 + HB2 LYS 36 OK 78 100 - 78 - 10971/1.8=40, ~11208=21...(9) HA GLN 47 + HB3 LYS 48 OK 34 75 - 45 - 3.6/6444=18...(5) HA GLN 47 + HB2 LYS 48 OK 30 69 - 44 - 3.6/6443=19...(5) HA TYR 27 + HB3 LYS 48 OK 15 78 - 19 - 6435/3.8=5, 10971/674=3...(6) HA TYR 27 + HB2 LYS 48 OK 13 72 - 18 - 6435/3.8=5, 10971/674=3...(5) HA GLN 47 + HB2 LYS 36 OK 12 98 - 13 - 11476/1.8=4, 3.6/6443=3 Peak 11483 from cnoeabs.peaks (0.63, 2.13, 32.11 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.83: QD2 LEU 64 + HG2 GLN 111 OK 70 100 - 70 - 8372/1.8=31...(12) QD1 LEU 126 + HG2 GLN 111 OK 37 99 - 37 - 10181/3.9=10...(9) QD2 LEU 79 + HG2 GLN 111 OK 12 68 - 18 - 11022/3.0=5, 11024/3.0=5 Peak 11484 from cnoeabs.peaks (1.21, 2.13, 32.11 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.94: QG2 THR 107 + HG2 GLN 111 OK 77 89 - 87 - 11588/3.5=34...(13) HG12 ILE 56 + HG2 GLN 111 OK 48 85 - 56 - ~11024=10, 10987/3.5=10...(14) HG13 ILE 56 + HG2 GLN 111 OK 46 81 - 56 - ~11024=10, 10987/3.5=9...(14) HD3 LYS 123 + HG2 GLN 111 OK 11 92 - 12 - ~9466=2, ~10329=1...(5) Peak 11485 from cnoeabs.peaks (1.66, 2.13, 32.11 ppm; 3.99 A): 5 out of 13 assignments used, quality = 0.68: HG13 ILE 136 + HG2 GLN 111 OK 34 98 - 35 - ~10752=6, ~11044=4...(12) HG2 ARG 140 + HG2 GLN 111 OK 22 99 - 22 - 3614/3.9=4, 2.9/3639=3...(8) HG2 ARG 124 + HG2 GLN 111 OK 17 99 - 17 - 3614/3.9=3, 4225/3.0=2...(9) HG2 ARG 89 + HG2 GLN 111 OK 15 94 - 16 - 2.8/3639=2, 2877/3.0=1...(4) HB2 LYS 114 + HG2 GLN 111 OK 11 92 - 12 - 3741/3.9=9 HD3 LYS 93 - HG2 GLN 111 lone 9 92 - 10 - 3614/3.9=2, 3.4/3639=1 HB VAL 71 - HG2 GLN 111 lone 7 94 - 7 - 10593/11483=3 HB2 MET 68 - HG2 GLN 111 lone 5 100 - 5 - HB2 PRO 57 - HG2 GLN 111 lone 4 89 - 5 - 10424/11483=1, 3614/3.9=1 HD2 LYS 48 - HG2 GLN 111 lone 2 94 - 2 - HB2 LEU 95 - HG2 GLN 111 lone 1 94 - 2 - HB2 ARG 145 - HG2 GLN 111 lone 1 85 - 1 - HD3 LYS 48 - HG2 GLN 111 lone 1 68 - 1 - Peak 11486 from cnoeabs.peaks (2.24, 1.82, 28.90 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.54: HG2 GLU 37 + HD3 LYS 36 OK 54 99 - 54 - 11469=26, 4.4/6223=13...(9) HG2 MET 113 - HD3 LYS 36 lone 0 62 - 1 - Peak 11487 from cnoeabs.peaks (2.23, 1.73, 28.90 ppm; 4.69 A): 5 out of 6 assignments used, quality = 0.90: HG2 GLU 37 + HD2 LYS 36 OK 65 100 - 65 - 11486/1.8=42, 11470=11...(10) HG2 GLU 37 + HB3 GLU 81 OK 38 79 - 48 - 11470/1.8=13, 774/3.0=8...(17) HG2 GLU 37 + HB2 GLU 81 OK 31 67 - 47 - 11470=11, 774/3.0=8...(17) HG2 GLU 28 + HD2 LYS 36 OK 30 72 - 41 - 10800/1.8=19, ~10800=9...(6) HG2 GLU 28 + HB3 GLU 81 OK 10 50 - 21 - ~9776=5, ~8052=5...(6) HG2 GLU 28 - HB2 GLU 81 poor 9 41 - 21 - ~9776=5, ~8052=5...(6) Peak 11488 from cnoeabs.peaks (6.96, 3.06, 42.25 ppm; 5.44 A): 4 out of 6 assignments used, quality = 0.77: HD21 ASN 139 + HE2 LYS 86 OK 39 68 - 58 - 11565/3.0=17, ~11562=15...(7) HD21 ASN 139 + HE3 LYS 86 OK 39 67 - 58 - 11565/3.0=17, ~11562=15...(7) QD PHE 38 + HE2 LYS 86 OK 22 100 - 22 - 11565/3.0=7, 9797/535=3...(7) QD PHE 38 + HE3 LYS 86 OK 22 100 - 22 - 11565/3.0=7, 9797/535=3...(7) QD PHE 38 - HB3 ASP 30 lone 2 88 - 3 - HD21 ASN 139 - HB3 ASP 30 lone 1 53 - 3 - Peak 11489 from cnoeabs.peaks (7.90, 3.06, 42.25 ppm; 5.92 A): 4 out of 6 assignments used, quality = 0.88: HD22 ASN 139 + HE3 LYS 86 OK 54 88 - 61 - ~11565=17, ~9743=16...(7) HD22 ASN 139 + HE2 LYS 86 OK 54 89 - 60 - ~11565=17, ~9743=15...(7) H ILE 83 + HE2 LYS 86 OK 25 98 - 26 - 11561/3.0=10...(6) H ILE 83 + HE3 LYS 86 OK 25 98 - 26 - 11561/3.0=10...(6) H ILE 83 - HB3 ASP 30 lone 8 83 - 9 - 6905/1.8=3, ~6921=2, ~6893=1 HD22 ASN 139 - HB3 ASP 30 lone 2 73 - 3 - Peak 11490 from cnoeabs.peaks (6.69, 1.82, 28.90 ppm; 5.48 A): 2 out of 2 assignments used, quality = 0.94: QE TYR 27 + HD3 LYS 36 OK 92 100 - 92 - 4789/5.3=24...(22) QE TYR 70 + HD3 LYS 36 OK 27 72 - 38 - ~4692=11, 10777/2.9=8...(7) Peak 11491 from cnoeabs.peaks (7.12, 4.00, 58.65 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.65: QE PHE 45 + HA GLU 122 OK 58 69 - 84 - 9446/3.0=35...(9) QD PHE 106 + HA GLU 122 OK 15 44 - 34 - 9446/3.0=11, 9445/3.9=9...(6) QE PHE 45 - HA LYS 114 lone 7 100 - 7 - 10836/6.3=2...(3) QD PHE 106 - HA LYS 114 lone 2 72 - 3 - Peak 11492 from cnoeabs.peaks (1.62, 2.26, 36.00 ppm; 4.22 A): 3 out of 7 assignments used, quality = 0.85: HB2 LEU 87 + HG3 GLU 90 OK 67 92 - 73 - 3.2/9807=20, 3.1/9807=19...(17) HG3 LYS 34 + HG3 GLU 90 OK 49 98 - 50 - 2.9/2940=11, 4.0/2939=7...(14) HB3 LEU 26 + HG3 GLU 90 OK 13 77 - 17 - 3.2/10972=4, 3.0/2939=2...(5) HB3 LEU 64 - HG3 GLU 90 lone 7 94 - 8 - 2783/9807=1, 2803/9807=1 HD2 LYS 24 - HG3 GLU 90 lone 7 98 - 7 - 2803/9807=1, 2811/9807=1 HG3 ARG 49 - HG3 GLU 90 lone 4 89 - 4 - HG3 ARG 144 - HG3 GLU 90 lone 2 94 - 2 - Peak 11493 from cnoeabs.peaks (1.76, 2.38, 36.00 ppm; 4.75 A): 5 out of 12 assignments used, quality = 0.83: HB2 PRO 12 + HG3 GLU 37 OK 47 100 - 47 - 3.0/8002=10, 78/1.8=7...(10) HG LEU 95 + HB ILE 91 OK 39 88 - 45 - ~9075=20, 3143/4.0=9...(10) HB ILE 83 + HB ILE 91 OK 20 79 - 26 - ~10658=10, 8963/3.0=5...(6) HB3 ARG 35 + HB ILE 91 OK 20 76 - 26 - ~8986=5, 2.9/2959=3...(11) HG LEU 39 + HB ILE 91 OK 20 57 - 35 - ~11497=12, ~8111=9...(7) HB3 ARG 35 - HG3 GLU 37 lone 5 92 - 6 - 9785/786=4 HG LEU 39 - HG3 GLU 37 lone 5 72 - 7 - 9785/786=3, ~8120=2 HB ILE 83 - HG3 GLU 37 lone 4 94 - 5 - 61/8002=1 HG LEU 95 - HG3 GLU 37 lone 4 100 - 4 - 61/8002=1 HB3 ARG 55 - HB ILE 91 lone 3 49 - 6 - 8972/2.1=1 HB2 PRO 12 - HB ILE 91 lone 3 88 - 3 - HB3 ARG 55 - HG3 GLU 37 lone 1 62 - 2 - Peak 11494 from cnoeabs.peaks (1.80, 2.38, 36.00 ppm; 4.74 A): 3 out of 18 assignments used, quality = 0.95: HB3 LEU 72 + HB ILE 91 OK 85 86 - 98 - 8534/3.2=22, ~8541=16...(42) HB2 MET 11 + HG3 GLU 37 OK 50 85 - 59 - 4.8/8002=7, 1.8/28=7...(20) HB3 LYS 24 + HB ILE 91 OK 40 76 - 53 - 11331/3.0=7, ~10883=6...(19) HD2 LYS 34 - HG3 GLU 37 OK 28 72 - 39 - 4.7/9799=13, 3.4/782=6...(14) HD3 LYS 34 - HG3 GLU 37 OK 28 72 - 39 - 4.7/9799=13, 3.4/782=6...(14) HD3 LYS 34 - HB ILE 91 OK 17 57 - 30 - 2.9/10522=6, 1.8/10523=4...(10) HD2 LYS 34 - HB ILE 91 OK 17 57 - 29 - 2.9/10522=6, 8981/3.2=4...(9) HB2 MET 11 - HB ILE 91 OK 11 69 - 16 - 4.2/46=4, 3.0/34=1...(7) HB3 LEU 72 - HG3 GLU 37 lone 8 100 - 8 - 8534/2960=1, 6223/4.4=1 HB3 ARG 145 - HB ILE 91 poor 6 53 - 11 - ~10390=9, 8981/3.2=1 HB2 ARG 124 - HB ILE 91 lone 5 85 - 6 - 8981/3.2=2 HB3 LYS 24 - HG3 GLU 37 lone 5 92 - 6 - 3362/9181=2 HD3 LYS 86 - HB ILE 91 lone 4 83 - 5 - HB2 ARG 124 - HG3 GLU 37 lone 4 99 - 4 - HD3 LYS 86 - HG3 GLU 37 lone 3 98 - 3 - 489/9799=1 HB VAL 80 - HG3 GLU 37 lone 2 77 - 3 - 6223/4.4=1 HB VAL 80 - HB ILE 91 lone 1 61 - 2 - HB3 ARG 145 - HG3 GLU 37 lone 1 68 - 1 - Peak 11495 from cnoeabs.peaks (3.86, 1.38, 40.66 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: HA LYS 36 + HB3 LEU 39 OK 84 89 - 94 - 6253/3.3=43, 8104/3.2=41...(13) HA LEU 72 + HB3 LEU 39 OK 62 81 - 76 - 9790/3.2=18, 2.9/844=17...(17) Peak 11496 from cnoeabs.peaks (1.58, 0.67, 22.21 ppm; 3.96 A): 2 out of 11 assignments used, quality = 0.82: HB2 LEU 66 + QD2 LEU 39 OK 73 89 - 82 - 1888=11, 1.8/1896=9...(33) HG3 ARG 109 + QD2 LEU 39 OK 34 100 - 34 - 2.8/9273=5, 3.9/9272=4...(14) HG3 LYS 36 - QD2 LEU 39 poor 7 68 - 11 - ~8114=3, 3.9/8118=3, 3.9/8118=2 HG3 ARG 124 - QD2 LEU 39 lone 7 100 - 7 - 4.9/9475=2, 4.9/9491=2 HD3 LYS 85 - QD2 LEU 39 lone 6 98 - 6 - 3.0/10978=2 HD2 LYS 85 - QD2 LEU 39 lone 4 72 - 6 - 3.0/10978=2 HB2 LEU 126 - QD2 LEU 39 lone 4 81 - 5 - HG2 ARG 145 - QD2 LEU 39 lone 2 81 - 3 - HG3 ARG 145 - QD2 LEU 39 lone 2 72 - 3 - HD3 LYS 61 - QD2 LEU 39 lone 1 68 - 1 - HD2 LYS 61 - QD2 LEU 39 lone 1 68 - 1 - Peak 11497 from cnoeabs.peaks (1.43, 0.67, 22.21 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.48: HG12 ILE 91 + QD2 LEU 39 OK 29 85 - 34 - ~8111=10, 1.8/8121=9...(8) HB3 LYS 114 + QD2 LEU 39 OK 28 99 - 28 - 2.9/8121=7, ~8111=7...(7) HG2 LYS 48 - QD2 LEU 39 lone 3 72 - 4 - Peak 11498 from cnoeabs.peaks (8.75, 2.74, 36.36 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11499 from cnoeabs.peaks (2.96, 4.16, 62.87 ppm; 4.72 A): 6 out of 18 assignments used, quality = 0.67: HE2 LYS 48 + HB3 SER 44 OK 20 85 - 23 - 3.0/8167=6, ~8167=4...(8) HE2 LYS 48 + HB2 SER 44 OK 20 85 - 23 - 3.0/8167=6, ~8167=4...(8) HB3 TYR 27 + HB3 SER 44 OK 16 92 - 17 - 4.5/10502=13, 297/3.9=2 HE3 LYS 48 + HB3 SER 44 OK 15 68 - 23 - 3.0/8167=6, ~8167=4...(8) HE3 LYS 48 + HB2 SER 44 OK 15 68 - 23 - 3.0/8167=6, ~8167=4...(8) HB3 TYR 27 + HB2 SER 44 OK 15 92 - 17 - 4.5/10502=13, 297/3.9=2 HE2 LYS 93 - HB3 SER 44 poor 9 81 - 11 - 3.0/8167=3, ~8167=3...(5) HE2 LYS 93 - HB2 SER 44 poor 9 81 - 11 - 3.0/8167=3, ~8167=3...(5) HE2 LYS 85 - HB3 SER 44 lone 4 77 - 5 - HE2 LYS 85 - HB2 SER 44 lone 4 77 - 5 - HA VAL 71 - HB3 SER 44 lone 3 81 - 4 - 3.2/8509=1 HA VAL 71 - HB2 SER 44 lone 3 81 - 4 - HB2 TYR 115 - HB3 SER 44 lone 1 85 - 2 - HB2 TYR 115 - HB2 SER 44 lone 1 85 - 2 - HB2 PHE 106 - HB3 SER 44 lone 1 89 - 1 - HB2 PHE 106 - HB2 SER 44 lone 1 89 - 1 - HB3 PHE 67 - HB3 SER 44 lone 1 89 - 1 - HB3 PHE 67 - HB2 SER 44 lone 1 89 - 1 - Peak 11500 from cnoeabs.peaks (2.73, 4.16, 62.87 ppm; 6.80 A): 5 out of 12 assignments used, quality = 0.93: HB2 PHE 38 + HB2 SER 44 OK 47 100 - 47 - 800/1.8=6, ~809=6...(17) HB2 PHE 38 + HB3 SER 44 OK 47 100 - 47 - 800/1.8=6, ~809=6...(17) HB3 GLU 120 + HB2 SER 44 OK 44 99 - 45 - 4022=5, 4022/1.8=5...(18) HB3 GLU 120 + HB3 SER 44 OK 44 99 - 44 - 4022=5, 4022/1.8=5...(18) HB3 MET 46 + HB2 SER 44 OK 21 89 - 24 - ~9817=11, 3.0/9813=4...(4) HB3 MET 46 - HB3 SER 44 OK 21 89 - 24 - ~9817=11, 3.0/9813=4...(4) HB3 TYR 70 - HB2 SER 44 OK 16 100 - 16 - 4.5/10728=11, 11543/4556=1 HB3 TYR 70 - HB3 SER 44 OK 16 100 - 16 - 4.5/10728=11, 11543/4556=1 HB2 ASN 96 - HB3 SER 44 lone 4 92 - 4 - HB2 ASN 96 - HB2 SER 44 lone 4 92 - 4 - HB2 ASN 84 - HB2 SER 44 lone 3 68 - 4 - HB2 ASN 84 - HB3 SER 44 lone 3 68 - 4 - Peak 11501 from cnoeabs.peaks (6.21, 3.51, 38.81 ppm; 6.27 A): 0 out of 1 assignment used, low quality = 0.00: HZ PHE 38 - HB2 PHE 45 lone 3 81 - 3 - 5676/11226=1 Peak 11502 from cnoeabs.peaks (6.25, 3.46, 38.81 ppm; 6.33 A): 1 out of 1 assignment used, quality = 0.60: QE TYR 119 + HB3 PHE 45 OK 60 88 - 68 - 2.2/10831=36, ~11226=30...(6) Peak 11503 from cnoeabs.peaks (3.08, 3.90, 57.09 ppm; 5.15 A): 5 out of 7 assignments used, quality = 0.84: HD3 ARG 49 + HA MET 46 OK 70 100 - 71 - 8194=21, 1.8/8193=20...(10) HA TYR 119 + HA MET 46 OK 17 94 - 18 - 10693/5.2=9, 7492/1040=2...(4) HE2 LYS 86 + HA MET 46 OK 15 81 - 18 - 3.9/11506=4, 4.9/1042=3...(4) HB3 TRP 88 + HA MET 46 OK 14 92 - 16 - 4.2/10682=9, ~4010=1 HE3 LYS 86 + HA MET 46 OK 14 77 - 17 - 3.9/11506=4, 4.9/1042=3...(4) HA2 GLY 78 - HA MET 46 lone 10 98 - 10 - 1290/8193=2, 10693/5.2=1 HB3 ASP 30 - HA MET 46 lone 2 92 - 2 - Peak 11504 from cnoeabs.peaks (2.08, 3.90, 57.09 ppm; 5.12 A): 3 out of 10 assignments used, quality = 0.78: HD2 ARG 49 + HA MET 46 OK 65 96 - 68 - 8193=21, 1.8/8194=21...(9) HG2 PRO 118 + HA MET 46 OK 30 85 - 35 - 10489/5.2=7, 2.3/1046=7...(10) HB2 PRO 129 + HA MET 46 OK 12 100 - 12 - 1298/8194=2 HB3 LYS 36 - HA MET 46 poor 10 68 - 14 - 4.5/10682=12 HB3 LYS 61 - HA MET 46 lone 6 100 - 6 - 1676/10106=1 HG3 PRO 33 - HA MET 46 lone 5 77 - 7 - HB2 LEU 26 - HA MET 46 lone 5 99 - 5 - HG2 GLU 122 - HA MET 46 lone 4 100 - 4 - HB3 GLN 62 - HA MET 46 lone 4 92 - 4 - HB2 GLU 131 - HA MET 46 lone 2 85 - 2 - Peak 11505 from cnoeabs.peaks (1.61, 3.90, 57.09 ppm; 4.49 A): 4 out of 11 assignments used, quality = 0.86: HG3 ARG 49 + HA MET 46 OK 67 100 - 67 - 9825=18, 1.8/11506=16...(11) HB2 LEU 97 + HA MET 46 OK 38 85 - 45 - 1.8/9107=10, 9110=9...(10) HG3 LYS 48 + HA MET 46 OK 19 68 - 28 - 4.9/6433=12...(4) HB3 LEU 64 + HA MET 46 OK 18 100 - 18 - ~10711=5, 8183/3.6=3...(5) HB2 LEU 87 - HA MET 46 lone 10 100 - 10 - ~8907=3, 8183/3.6=2 HG3 LYS 34 - HA MET 46 poor 8 72 - 12 - 8183/3.6=3, 10522/4.1=2 HG LEU 108 - HA MET 46 lone 8 92 - 9 - 3493/6433=2, 9825=2 HG3 ARG 144 - HA MET 46 lone 8 100 - 8 - 8183/3.6=1, 8226/10501=1 HD2 LYS 24 - HA MET 46 lone 7 72 - 9 - ~10902=2, ~10895=2...(4) HG2 ARG 141 - HA MET 46 lone 6 89 - 7 - 3.0/9820=1 HG2 ARG 144 - HA MET 46 lone 4 72 - 5 - Peak 11506 from cnoeabs.peaks (1.37, 3.90, 57.09 ppm; 3.96 A): 4 out of 7 assignments used, quality = 0.63: HG2 ARG 49 + HA MET 46 OK 37 81 - 46 - 3.0/8194=12, 1.8/9825=11...(7) HB2 LEU 69 + HA MET 46 OK 23 92 - 25 - 3.2/10993=13, ~9876=8...(4) HB3 LEU 39 + HA MET 46 OK 15 100 - 15 - 1.8/10501=5, 3.0/9820=2...(4) HG2 LYS 86 + HA MET 46 OK 11 62 - 17 - 2.9/1042=2, 3.9/11503=2...(4) HG LEU 132 - HA MET 46 lone 9 100 - 9 - ~10301=1, ~10424=1 HB2 ARG 109 - HA MET 46 lone 4 98 - 4 - HB VAL 82 - HA MET 46 lone 3 99 - 4 - Peak 11507 from cnoeabs.peaks (4.20, 2.39, 34.70 ppm; 6.12 A): 4 out of 5 assignments used, quality = 0.91: HA PHE 43 + HG2 MET 46 OK 77 99 - 78 - 972/3.0=24, 971/3.0=24...(11) HA PHE 67 + HG2 MET 46 OK 46 92 - 50 - ~10704=9, 1932/3.0=9...(15) HA ILE 101 + HG2 MET 46 OK 21 81 - 26 - 10980/1.8=4, 6379/5.1=4...(10) HA ALA 134 + HG2 MET 46 OK 12 92 - 13 - 10980/1.8=3, 6375/5.1=1...(4) HA THR 102 - HG2 MET 46 lone 4 72 - 6 - 6379/5.1=2, 10980/1.8=1 Peak 11508 from cnoeabs.peaks (4.19, 3.22, 34.70 ppm; 6.63 A): 3 out of 3 assignments used, quality = 0.98: HA CYS 121 + HG3 MET 46 OK 80 94 - 85 - 2.9/1074=17, ~1066=14...(20) HA PHE 43 + HG3 MET 46 OK 77 98 - 79 - 971/3.0=25, 970/5.1=25...(9) HA PHE 67 + HG3 MET 46 OK 56 100 - 56 - 1932/3.0=12, ~10704=11...(14) Peak 11509 from cnoeabs.peaks (4.16, 2.95, 41.80 ppm; 4.14 A): 8 out of 50 assignments used, quality = 0.92: HA LYS 76 + HE2 LYS 85 OK 44 90 - 48 - 2243/3.5=4, 2241/4.8=4...(28) HA LYS 76 + HE3 LYS 85 OK 33 69 - 48 - 2243/3.5=4, 2241/4.8=4...(28) HB3 SER 44 + HE2 LYS 48 OK 24 100 - 24 - 8167/3.0=4, 9815=4...(8) HB2 SER 44 + HE2 LYS 48 OK 24 100 - 24 - 8167/3.0=4, 9815=4...(8) HB3 SER 44 + HE3 LYS 48 OK 24 96 - 25 - 8167/3.0=4, 11499/1.8=4...(8) HB2 SER 44 + HE3 LYS 48 OK 24 96 - 25 - 8167/3.0=4, 11499/1.8=4...(8) HA LEU 126 + HE2 LYS 85 OK 24 80 - 30 - 4268/2.9=2, 4268/2.9=2...(12) HA LYS 76 + HE2 LYS 93 OK 20 91 - 22 - 2244/3.8=3, ~3080=2...(8) HA LEU 126 - HE3 LYS 85 OK 17 59 - 29 - 4268/2.9=2, 4268/2.9=2...(12) HA LEU 126 - HE2 LYS 93 OK 15 81 - 19 - 4269/5.1=4, ~11084=3...(6) HB3 SER 44 - HE2 LYS 93 OK 14 100 - 14 - 8167/3.0=2, 9815=2...(6) HB2 SER 44 - HE2 LYS 93 OK 14 100 - 14 - 8167/3.0=2, 9815=2...(6) HA LYS 76 - HE2 LYS 48 OK 11 92 - 12 - 2240/3.6=1 HA LYS 76 - HE3 LYS 48 OK 10 84 - 12 - 2240/3.6=1 HA LEU 126 - HE2 LYS 48 lone 7 81 - 8 - HB3 SER 44 - HE2 LYS 85 lone 6 99 - 6 - 9815=1 HA GLU 120 - HE2 LYS 85 lone 6 99 - 6 - ~8864=2, 4012/3.5=1 HB2 SER 44 - HE2 LYS 85 lone 6 99 - 6 - 9815=1 HA LEU 126 - HE3 LYS 48 lone 5 74 - 7 - HB3 SER 44 - HE3 LYS 85 lone 5 81 - 6 - 9815=1 HB2 SER 44 - HE3 LYS 85 lone 5 81 - 6 - HA GLU 120 - HE3 LYS 85 lone 5 79 - 6 - ~8864=2, 4012/3.5=1 HA TRP 88 - HE2 LYS 48 lone 3 85 - 4 - 10067/3.6=1 HA TRP 88 - HE3 LYS 48 lone 3 78 - 4 - 10067/3.6=1 HA GLU 120 - HE2 LYS 48 lone 2 100 - 2 - 4013/3.6=1 HA GLU 120 - HE3 LYS 48 lone 2 94 - 2 - 4013/3.6=1 HA TRP 88 - HE2 LYS 93 lone 2 85 - 3 - HA TRP 88 - HE2 LYS 85 lone 2 83 - 2 - HA GLU 120 - HE2 LYS 93 lone 2 99 - 2 - HA LEU 64 - HE2 LYS 85 lone 2 80 - 2 - HA PHE 38 - HE2 LYS 85 lone 2 87 - 2 - HA3 GLY 125 - HE2 LYS 85 lone 1 95 - 2 - HA LEU 64 - HE2 LYS 48 lone 1 81 - 2 - HA3 GLY 125 - HE2 LYS 93 lone 1 96 - 1 - HA LEU 64 - HE3 LYS 48 lone 1 74 - 2 - HA TRP 88 - HE3 LYS 85 lone 1 62 - 2 - HA LEU 64 - HE3 LYS 85 lone 1 59 - 2 - HA PHE 38 - HE3 LYS 85 lone 1 66 - 2 - HA LEU 64 - HE2 LYS 93 lone 1 81 - 1 - HA3 GLY 125 - HE3 LYS 85 lone 1 74 - 1 - HA3 GLY 125 - HE2 LYS 48 lone 1 96 - 1 - HA3 GLY 125 - HE3 LYS 48 lone 1 90 - 1 - HG1 THR 74 - HE2 LYS 93 lone 1 85 - 1 - HA PHE 38 - HE2 LYS 93 lone 1 88 - 1 - HA PHE 38 - HE2 LYS 48 lone 1 89 - 1 - HG1 THR 74 - HE2 LYS 85 lone 1 83 - 1 - HG1 THR 74 - HE2 LYS 48 lone 1 85 - 1 - HA PHE 38 - HE3 LYS 48 lone 1 81 - 1 - HG1 THR 74 - HE3 LYS 48 lone 1 78 - 1 - HG1 THR 74 - HE3 LYS 85 lone 0 62 - 1 - Peak 11510 from cnoeabs.peaks (4.27, 2.95, 41.80 ppm; 5.14 A): 7 out of 54 assignments used, quality = 0.92: HA LEU 95 + HE2 LYS 93 OK 45 100 - 45 - 3122/3.0=12, 3121/3.0=7...(14) HB THR 99 + HE2 LYS 93 OK 33 98 - 34 - ~10116=11, 2.1/10116=6...(10) HA SER 138 + HE2 LYS 93 OK 31 96 - 32 - 10345/3.0=17...(4) HA LEU 95 + HE3 LYS 93 OK 30 65 - 46 - 3122/3.0=12, 3121/3.0=7...(14) HA ARG 49 + HE2 LYS 48 OK 25 99 - 25 - ~1204=6, 1243/3.6=6...(5) HA ARG 49 + HE3 LYS 48 OK 25 99 - 25 - ~1204=6, 1243/3.6=6...(5) HA ARG 140 + HE2 LYS 93 OK 22 96 - 23 - 4707/3.0=3, 4706/5.1=2...(11) HA SER 138 - HE3 LYS 93 OK 19 59 - 32 - 10345/3.0=17...(4) HB THR 99 - HE3 LYS 93 OK 18 61 - 30 - 2.1/10116=8, ~10116=7...(6) HA LEU 95 - HE2 LYS 85 OK 18 100 - 18 - 3122/4.8=3, ~2617=2...(6) HA LEU 95 - HE3 LYS 85 OK 16 92 - 18 - 3122/4.8=3, ~2617=2...(6) HA LEU 95 - HE2 LYS 48 OK 15 99 - 15 - 3121/3.0=2, 3121/3.0=2...(5) HB THR 99 - HE2 LYS 48 OK 15 96 - 15 - ~10116=4, ~9154=3...(6) HB THR 99 - HE3 LYS 48 OK 14 96 - 15 - 2.1/10116=3, ~10116=3...(6) HA LEU 95 - HE3 LYS 48 OK 14 99 - 14 - 3121/3.0=2, 3121/3.0=2...(5) HA ARG 140 - HE3 LYS 93 OK 13 59 - 22 - 4707/3.0=3, 4706/5.1=2...(11) HA SER 138 - HE2 LYS 48 OK 12 95 - 12 - 9718/3.6=2, 10468/3.0=2...(6) HA SER 138 - HE3 LYS 48 OK 12 95 - 12 - 9718/3.6=2, 10468/3.0=2...(5) HA ARG 49 - HE2 LYS 93 OK 11 100 - 11 - 4.8/1145=4, ~1215=3, ~7404=2 HA ALA 135 - HE2 LYS 85 lone 8 89 - 9 - 4581/3.5=1 HA3 GLY 78 - HE2 LYS 85 lone 7 89 - 8 - 8709/4.8=4, 8708/4.8=3 HA ALA 135 - HE2 LYS 93 lone 7 88 - 8 - 4581/3.8=2 HA3 GLY 78 - HE2 LYS 93 lone 7 88 - 8 - 8709/5.1=2, 8708/3.0=2, ~10751=1 HA ALA 135 - HE3 LYS 85 lone 7 77 - 9 - 4581/3.5=1 HA SER 138 - HE2 LYS 85 lone 7 96 - 7 - 10345/3075=1...(3) HA3 GLY 78 - HE3 LYS 85 lone 6 77 - 8 - 8709/4.8=4, 8708/4.8=3 HA ARG 140 - HE2 LYS 48 lone 6 95 - 7 - HA ARG 49 - HE3 LYS 93 lone 6 65 - 10 - 4.8/1145=4, ~1215=3, ~7404=2 HA ARG 140 - HE3 LYS 48 lone 6 95 - 6 - HA SER 138 - HE3 LYS 85 lone 6 85 - 6 - 10345/3075=1, 10345/4.8=1 HA ARG 49 - HE2 LYS 85 lone 5 100 - 5 - 4.8/1145=3 HB THR 99 - HE2 LYS 85 lone 5 98 - 5 - ~10116=1 HA ARG 49 - HE3 LYS 85 lone 5 91 - 5 - 4.8/1145=3 HA ALA 135 - HE3 LYS 93 lone 4 52 - 8 - 4581/3.8=2 HB THR 99 - HE3 LYS 85 lone 4 87 - 5 - 2.1/10116=1, ~10116=1 HA3 GLY 78 - HE3 LYS 93 lone 4 52 - 8 - 8709/5.1=2, 8708/3.0=2, ~10751=1 HA3 GLY 78 - HE2 LYS 48 lone 3 87 - 4 - 8709/4.9=1 HA ALA 135 - HE2 LYS 48 lone 3 87 - 4 - HA3 GLY 78 - HE3 LYS 48 lone 3 87 - 4 - 8709/4.9=1 HA ALA 135 - HE3 LYS 48 lone 3 87 - 4 - HA PRO 118 - HE2 LYS 93 lone 3 85 - 3 - HA PRO 118 - HE2 LYS 48 lone 2 83 - 3 - HA PRO 118 - HE3 LYS 48 lone 2 83 - 3 - HA PRO 118 - HE2 LYS 85 lone 2 85 - 2 - HA ARG 140 - HE2 LYS 85 lone 2 96 - 2 - HA ARG 140 - HE3 LYS 85 lone 2 85 - 2 - HA2 GLY 50 - HE2 LYS 93 lone 1 91 - 2 - HA PRO 118 - HE3 LYS 85 lone 1 73 - 2 - HA2 GLY 50 - HE2 LYS 48 lone 1 90 - 1 - HA2 GLY 50 - HE3 LYS 48 lone 1 90 - 1 - HA PRO 118 - HE3 LYS 93 lone 1 49 - 2 - HA2 GLY 50 - HE2 LYS 85 lone 1 92 - 1 - HA2 GLY 50 - HE3 LYS 85 lone 1 80 - 1 - HA2 GLY 50 - HE3 LYS 93 lone 1 55 - 1 - Peak 11511 from cnoeabs.peaks (1.93, 3.08, 44.17 ppm; 4.70 A): 7 out of 13 assignments used, quality = 0.95: HB3 GLU 122 + HD3 ARG 49 OK 43 72 - 60 - 1.8/4064=14, 4072=9...(21) HB2 LYS 86 + HD3 ARG 49 OK 43 77 - 56 - 2.9/1296=7, ~1287=6...(22) HB3 LEU 132 + HD3 ARG 49 OK 42 99 - 43 - 3.0/1295=5, 4490/3.0=5...(19) HB2 PRO 118 + HD3 ARG 49 OK 35 94 - 38 - 2.3/10983=13...(9) HB2 ARG 140 + HD3 ARG 49 OK 33 100 - 33 - 2.9/1294=4, 4718/3.7=3...(16) HG13 ILE 83 + HD3 ARG 49 OK 30 68 - 44 - 11136/3.7=8, 3.8/10012=6...(14) HB2 MET 59 + HD3 ARG 49 OK 10 89 - 12 - 4.8/1295=4, ~10700=1 HB2 GLN 62 - HD3 ARG 49 lone 9 100 - 9 - 1.8/1298=1 HG3 PRO 12 - HD3 ARG 49 lone 8 98 - 8 - 8918/8917=1 HG2 PRO 12 - HD3 ARG 49 lone 7 100 - 7 - HB2 ARG 89 - HD3 ARG 49 lone 6 98 - 7 - HB3 PRO 52 - HD3 ARG 49 lone 6 89 - 7 - 8227/8216=1 HG2 PRO 52 - HD3 ARG 49 lone 6 85 - 7 - 8227/8216=1 Peak 11512 from cnoeabs.peaks (2.16, 3.08, 44.17 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.76: HG2 PRO 129 + HD3 ARG 49 OK 55 77 - 71 - ~9825=12, 2.3/8194=12...(18) HB2 GLN 25 + HD3 ARG 49 OK 33 100 - 33 - 11461/2.9=9, ~201=5...(9) HG LEU 29 + HD3 ARG 49 OK 22 94 - 24 - 2.1/10661=7, ~8073=5...(6) Peak 11513 from cnoeabs.peaks (2.72, 0.96, 19.03 ppm; 6.50 A): 4 out of 6 assignments used, quality = 0.81: HB3 MET 46 + QG2 THR 51 OK 60 100 - 60 - 3.0/10501=19...(6) HB2 ASN 84 + QG2 THR 51 OK 24 99 - 24 - 3.5/10650=19 HB2 PHE 38 + QG2 THR 51 OK 20 89 - 23 - 4.5/4766=12, 5.8/4740=3...(4) HB3 TYR 70 + QG2 THR 51 OK 20 89 - 23 - 3.6/10646=10, ~1311=2...(6) HB3 GLU 120 - QG2 THR 51 lone 7 96 - 7 - 1043/10501=2, 1069/8229=1 HB3 CYS 121 - QG2 THR 51 lone 6 85 - 7 - 1043/10501=1 Peak 11514 from cnoeabs.peaks (2.11, 1.65, 31.87 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.71: HG2 PRO 33 + HB2 PRO 57 OK 50 68 - 74 - 1.8/9793=15, ~474=10...(21) HB2 GLU 75 + HB2 PRO 57 OK 43 94 - 46 - 2213/1.8=7, ~2221=5...(19) HB VAL 73 - HB2 PRO 57 lone 5 98 - 5 - ~10656=1 HG2 GLN 111 - HB2 PRO 57 lone 3 62 - 4 - 3.9/3614=1 Peak 11515 from cnoeabs.peaks (0.91, 1.92, 35.50 ppm; 5.99 A): 3 out of 6 assignments used, quality = 0.97: HB2 LEU 64 + HB2 MET 59 OK 83 94 - 88 - 3.2/8299=21, 8301/3.0=18...(19) QG1 VAL 63 + HB2 MET 59 OK 72 98 - 73 - 8301/3.0=21, 2.1/1607=10...(17) QG2 ILE 91 + HB2 MET 59 OK 44 62 - 71 - 2.1/1606=8, ~8963=8...(25) QG2 VAL 63 - HB2 MET 59 OK 42 62 - 67 - ~8301=16, 2.1/1607=10...(15) QD2 LEU 29 - HB2 MET 59 OK 19 100 - 19 - 8301/3.0=5, 1850/8299=2...(5) QG1 VAL 53 - HB2 MET 59 OK 12 96 - 12 - 8301/3.0=2, 4.0/11712=1...(4) Peak 11516 from cnoeabs.peaks (6.88, 1.93, 32.69 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.39: HE22 GLN 47 - HB2 GLN 62 OK 39 100 - 40 - 8181=15, 4.6/10474=8...(6) HE21 GLN 111 - HB2 GLN 62 lone 7 98 - 7 - 3.5/3648=2, 3.5/3639=1 HZ PHE 23 - HB2 GLN 62 lone 6 100 - 6 - 11196/8347=1 HE21 GLN 25 - HB2 GLN 62 lone 5 72 - 6 - 9836/8342=3 Peak 11517 from cnoeabs.peaks (1.77, 0.92, 42.22 ppm; 5.70 A): 3 out of 7 assignments used, quality = 0.92: HB3 MET 59 + HB2 LEU 64 OK 68 85 - 80 - 11016/3.2=16, ~8299=15...(17) HB ILE 83 + HB2 LEU 64 OK 58 62 - 92 - ~8376=27, 11018/3.0=18...(24) HG LEU 39 + HB2 LEU 64 OK 42 98 - 42 - ~11015=7, 8389/4.4=6...(11) HB3 ARG 35 - HB2 LEU 64 OK 22 100 - 22 - 8389/4.4=5, ~8368=3...(7) HG LEU 95 - HB2 LEU 64 OK 21 89 - 24 - 11018/3.0=5, ~9838=4...(8) HB3 ARG 55 - HB2 LEU 64 poor 10 94 - 10 - 4.0/10618=4, 11016/3.2=1 HB2 PRO 12 - HB2 LEU 64 lone 5 92 - 6 - 11018/3.0=2 Peak 11518 from cnoeabs.peaks (2.19, 3.85, 57.42 ppm; 4.58 A): 4 out of 5 assignments used, quality = 0.87: HG2 GLU 75 + HA LEU 72 OK 75 100 - 76 - 3.0/2208=21, 3.0/2114=21...(16) HB3 PRO 57 + HA LEU 72 OK 31 77 - 41 - ~2091=6, 2.3/2108=6...(18) HB3 LYS 86 + HA LEU 72 OK 14 62 - 21 - ~8867=4, 3.5/2107=2...(9) HB2 MET 113 + HA LEU 72 OK 11 100 - 11 - 6797/2112=2, ~6736=2...(5) HB2 MET 46 - HA LEU 72 lone 9 100 - 9 - 4.6/2111=2, 2213/2208=1...(4) Peak 11519 from cnoeabs.peaks (2.30, 3.85, 57.42 ppm; 6.46 A): 3 out of 5 assignments used, quality = 0.93: HG3 GLU 75 + HA LEU 72 OK 84 94 - 89 - 3.0/2114=29, 5.0/2112=27...(18) HG3 GLU 81 + HA LEU 72 OK 46 89 - 52 - ~8533=19, ~9966=15...(9) HG2 GLU 120 + HA LEU 72 OK 21 100 - 22 - 9559/3.9=4, ~11602=3...(6) HG3 GLN 62 - HA LEU 72 lone 8 98 - 8 - 8344/8539=1 HG2 GLN 62 - HA LEU 72 lone 7 92 - 7 - 8344/8539=1 Peak 11520 from cnoeabs.peaks (7.64, 1.57, 43.18 ppm; 6.73 A): 3 out of 5 assignments used, quality = 1.00: H LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.9=100 H VAL 82 + HB2 LEU 66 OK 89 96 - 93 - ~9910=28, ~11523=22...(19) H GLU 122 + HB2 LEU 66 OK 45 100 - 45 - 11521/1.8=8, 1871/3.0=7...(9) H LEU 97 - HB2 LEU 66 OK 13 68 - 20 - 1871/3.0=3, 1906/3.1=3...(8) HD21 ASN 130 - HB2 LEU 66 OK 12 99 - 12 - 11521/1.8=2, 1871/3.0=2...(6) Peak 11521 from cnoeabs.peaks (7.64, 1.45, 43.18 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: H LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.9=100 H VAL 82 + HB3 LEU 66 OK 90 96 - 93 - ~9910=28, ~11523=22...(20) H GLU 122 + HB3 LEU 66 OK 47 100 - 47 - 11520/1.8=8, 1871/3.0=7...(11) H LEU 97 - HB3 LEU 66 OK 13 68 - 20 - 1871/3.0=3, 1906/3.1=3...(7) HD21 ASN 130 - HB3 LEU 66 OK 13 99 - 12 - 11520/1.8=2, 1871/3.0=2...(6) Peak 11522 from cnoeabs.peaks (7.14, 0.67, 24.82 ppm; 4.87 A): 3 out of 3 assignments used, quality = 0.74: QE TYR 115 + QD2 LEU 66 OK 53 62 - 86 - 9907=31, 9903/2.1=24...(16) QD TYR 117 + QD2 LEU 66 OK 34 100 - 34 - 9310/11045=9...(11) QD PHE 106 + QD2 LEU 66 OK 16 96 - 16 - 2.2/1921=3, 2.5/8403=2...(7) Peak 11523 from cnoeabs.peaks (7.33, 0.67, 24.82 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.88: H GLU 81 + QD2 LEU 66 OK 79 99 - 80 - 9910=40, 3.4/1914=11...(23) H ARG 109 + QD2 LEU 66 OK 44 85 - 51 - 2.9/9272=9, 7293/2.1=7...(14) Peak 11524 from cnoeabs.peaks (6.66, 0.67, 24.82 ppm; 5.14 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 111 - QD2 LEU 66 lone 8 98 - 9 - 10898/9900=2...(3) Peak 11525 from cnoeabs.peaks (0.98, 3.04, 38.31 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.93: HB2 LEU 39 + HB2 PHE 67 OK 81 100 - 81 - 3.2/8115=25, 10844=21...(13) QD1 LEU 116 + HB2 PHE 67 OK 52 89 - 58 - ~10222=14, ~8412=9...(15) HG12 ILE 136 + HB2 PHE 67 OK 27 85 - 31 - ~9665=10, 10844=6...(7) Peak 11526 from cnoeabs.peaks (0.66, 3.04, 38.31 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.94: QD2 LEU 39 + HB2 PHE 67 OK 82 96 - 85 - 2.1/8115=27...(16) QD2 LEU 66 + HB2 PHE 67 OK 57 94 - 61 - 1921/3.7=23, 4.5/6636=14...(14) QD1 ILE 83 + HB2 PHE 67 OK 23 72 - 32 - 6652/3.7=7, ~10782=7...(9) Peak 11527 from cnoeabs.peaks (0.95, 2.95, 38.31 ppm; 6.57 A): 2 out of 3 assignments used, quality = 0.61: QD1 LEU 29 + HB3 PHE 67 OK 51 81 - 62 - 10529/4.4=18, ~8068=13...(12) HG3 ARG 35 + HB3 PHE 67 OK 21 85 - 25 - ~10802=16, 8407/3.7=3, ~10903=3 QG2 THR 51 - HB3 PHE 67 lone 8 89 - 9 - 8407/3.7=2 Peak 11528 from cnoeabs.peaks (6.96, 3.04, 38.31 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.88: QD PHE 38 + HB2 PHE 67 OK 85 100 - 86 - ~8396=43, 9911/3.0=39...(8) HD2 HIS 10 + HB2 PHE 67 OK 15 72 - 21 - 10841/1.8=9...(5) Peak 11529 from cnoeabs.peaks (2.48, 1.66, 30.27 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.60: HB2 ASP 65 + HB2 MET 68 OK 60 99 - 61 - 11481/1.8=29, ~9887=10...(13) Peak 11530 from cnoeabs.peaks (3.05, 1.66, 30.27 ppm; 6.47 A): 2 out of 6 assignments used, quality = 0.99: HB2 PHE 67 + HB2 MET 68 OK 90 98 - 92 - 6666/3.6=27, 8450/4.2=25...(17) HB3 ASP 65 + HB2 MET 68 OK 90 98 - 92 - 1.8/11529=50, ~11481=35...(15) HE2 LYS 34 - HB2 MET 68 OK 20 92 - 22 - 6666/3.6=7, 8448/4.4=3...(7) HB2 HIS 10 - HB2 MET 68 OK 16 98 - 16 - 8450/4.2=2, 8445/2.9=2...(7) HE3 LYS 34 - HB2 MET 68 poor 8 77 - 10 - ~8446=2, ~11480=2...(4) HB2 TYR 27 - HB2 MET 68 poor 8 72 - 11 - ~10823=5, 8448/4.4=2 Peak 11531 from cnoeabs.peaks (0.96, 2.54, 31.81 ppm; 5.34 A): 3 out of 3 assignments used, quality = 0.70: QD1 LEU 29 + HG3 MET 68 OK 56 98 - 57 - 10529/4.4=17...(14) QG2 THR 51 + HG3 MET 68 OK 23 100 - 23 - 10461/3.3=6, 8213/3.7=5...(4) HG3 ARG 35 + HG3 MET 68 OK 12 99 - 12 - 4.5/9873=3, 9915/1.8=3 Peak 11533 from cnoeabs.peaks (0.92, 4.00, 58.18 ppm; 3.33 A): 5 out of 12 assignments used, quality = 0.58: QG2 ILE 91 + HA LEU 69 OK 24 98 - 24 - 8971/4.1=5, 8975=5...(7) HB2 LEU 108 + HA LEU 69 OK 21 94 - 23 - 3.2/9257=4, 9894/4.1=3...(8) QG2 ILE 91 + HA GLU 122 OK 13 93 - 13 - 8975=3, ~11606=2...(5) HB2 LEU 64 + HA LEU 69 OK 12 100 - 12 - ~11377=3, ~11378=3, ~10625=3 QG2 VAL 63 + HA GLU 122 OK 10 93 - 11 - 2.1/4062=2, 1803=2, 2.1/1798=1 QG2 VAL 63 - HA LEU 69 poor 10 98 - 10 - 8353/4.1=2, 2.1/4062=1 QD2 LEU 29 - HA LEU 69 lone 8 94 - 8 - 8073/3.6=2, 8074/4.1=2 HB2 LEU 64 - HA GLU 122 lone 5 96 - 5 - QG1 VAL 63 - HA GLU 122 lone 5 57 - 9 - 2.1/4062=2, 2.1/1803=1 QG1 VAL 63 - HA LEU 69 lone 5 62 - 8 - 9871/4.1=2, 2.1/4062=1 QD2 LEU 29 - HA GLU 122 lone 5 89 - 5 - HB2 LEU 108 - HA GLU 122 lone 3 89 - 3 - Peak 11534 from cnoeabs.peaks (6.47, 1.86, 26.80 ppm; 5.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11536 from cnoeabs.peaks (3.91, 1.17, 23.77 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.87: HA TYR 112 + QD1 LEU 69 OK 79 100 - 79 - 3.7/8457=27, 2.9/9875=20...(15) HA MET 46 + QD1 LEU 69 OK 40 77 - 52 - 2.9/9876=22, 4.1/9929=7...(10) HD3 PRO 98 - QD1 LEU 69 poor 8 62 - 14 - 4.8/11420=4, 4.8/10129=2...(5) HD2 PRO 129 - QD1 LEU 69 lone 4 85 - 4 - Peak 11537 from cnoeabs.peaks (6.86, 4.33, 62.26 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.00: HE21 GLN 62 - HA TYR 70 lone 3 100 - 3 - 11651/2052=2 Peak 11538 from cnoeabs.peaks (8.24, 4.33, 62.26 ppm; 5.15 A): 0 out of 3 assignments used, low quality = 0.29: H ALA 105 - HA TYR 70 OK 29 62 - 46 - ~9210=28, ~9210=12...(6) H GLY 125 - HA TYR 70 lone 8 81 - 9 - 9490/8761=4, 9491/8400=2 H THR 102 - HA TYR 70 lone 3 99 - 3 - 4.1/1458=2 Peak 11539 from cnoeabs.peaks (6.78, 3.15, 38.83 ppm; 5.57 A): 3 out of 3 assignments used, quality = 0.76: QE TYR 112 + HB2 TYR 70 OK 65 100 - 66 - 8492/3.0=24, ~8491=22...(7) HZ3 TRP 17 + HB2 TYR 70 OK 21 94 - 22 - 8492/3.0=7, 6.4/186=5...(6) H LYS 76 + HB2 TYR 70 OK 14 81 - 17 - 8489/3.6=11, 9401/9376=2...(4) Peak 11540 from cnoeabs.peaks (6.25, 3.15, 38.83 ppm; 5.84 A): 0 out of 1 assignment used, low quality = 0.22: QE TYR 119 - HB2 TYR 70 OK 22 100 - 22 - 9400/9376=10...(3) Peak 11541 from cnoeabs.peaks (6.22, 2.73, 38.83 ppm; 5.80 A): 1 out of 1 assignment used, quality = 0.47: HZ PHE 38 + HB3 TYR 70 OK 47 100 - 47 - 3.8/11543=30, 10760=10...(5) Peak 11542 from cnoeabs.peaks (6.82, 2.73, 38.83 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.73: QD PHE 67 + HB3 TYR 70 OK 52 99 - 53 - 3.7/1932=21, 8492/3.0=19...(7) HZ2 TRP 88 + HB3 TYR 70 OK 27 94 - 29 - 8492/3.0=15, 5.0/2070=6...(5) HD21 ASN 96 + HB3 TYR 70 OK 12 72 - 17 - 8526/4.4=5, 4.4/3169=3...(6) HE21 GLN 133 + HB3 TYR 70 OK 12 89 - 13 - 8526/4.4=8, 9664/9670=2 Peak 11543 from cnoeabs.peaks (6.96, 2.73, 38.83 ppm; 5.73 A): 1 out of 2 assignments used, quality = 0.73: QD PHE 38 + HB3 TYR 70 OK 73 99 - 74 - 3.8/11541=31...(14) HD21 ASN 139 - HB3 TYR 70 lone 7 81 - 9 - 11387/4.4=6 Peak 11544 from cnoeabs.peaks (3.70, 1.17, 42.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.98: HA ILE 91 + HB2 LEU 72 OK 96 98 - 98 - 11545/3.0=36...(31) HA ILE 136 + HB2 LEU 72 OK 59 81 - 73 - 10995=22, 11545/3.0=10...(15) HA THR 107 - HB2 LEU 72 OK 15 62 - 25 - 10995=6, ~9237=5...(6) Peak 11545 from cnoeabs.peaks (3.69, 3.85, 57.42 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.77: HA ILE 91 + HA LEU 72 OK 71 89 - 80 - 4.2/8538=25, 3.2/8539=23...(16) HA ILE 136 + HA LEU 72 OK 20 62 - 33 - 10995/3.0=9, 4.2/2110=5...(8) Peak 11546 from cnoeabs.peaks (3.98, 1.81, 42.88 ppm; 6.17 A): 1 out of 4 assignments used, quality = 0.97: HA GLU 75 + HB3 LEU 72 OK 97 100 - 97 - ~2112=22, 9958/3.2=20...(30) HB3 SER 127 - HB3 LEU 72 OK 44 81 - 53 - 1.8/2126=8, ~2117=7...(16) HB3 SER 103 - HB3 LEU 72 OK 12 68 - 18 - 4.6/9908=12, 11723/3.2=2 HA3 GLY 143 - HB3 LEU 72 lone 9 99 - 9 - ~10227=3, 11723/3.2=1 Peak 11547 from cnoeabs.peaks (3.68, 1.81, 42.88 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.38: HA ILE 83 - HB3 LEU 72 OK 38 89 - 42 - 10776/4.4=22, ~2120=4...(13) Peak 11548 from cnoeabs.peaks (0.23, 0.76, 22.25 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 71 + QD2 LEU 72 OK 91 92 - 99 - 11549/2.1=48...(37) Peak 11549 from cnoeabs.peaks (0.23, 0.76, 26.47 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.74: QG2 VAL 71 + QD1 LEU 72 OK 74 77 - 96 - 6742/4.9=28...(31) Peak 11550 from cnoeabs.peaks (7.11, 2.14, 28.90 ppm; 5.92 A): 1 out of 1 assignment used, quality = 0.52: QE PHE 45 + HG3 PRO 118 OK 52 85 - 61 - 10301/2.3=42...(8) Peak 11551 from cnoeabs.peaks (7.86, 2.14, 28.90 ppm; 5.80 A): 2 out of 3 assignments used, quality = 0.95: H ALA 135 + HG3 PRO 118 OK 82 94 - 86 - 3.6/9649=21, 3947/3.8=12...(25) H TYR 119 + HG3 PRO 118 OK 71 99 - 72 - 7464/2.3=20, 7466=15...(13) H PHE 38 - HG3 PRO 118 lone 5 72 - 7 - 10302/2.3=3, 6236/3977=1 Peak 11552 from cnoeabs.peaks (3.08, 2.09, 28.90 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.87: HA TYR 119 + HG2 PRO 118 OK 71 100 - 72 - ~7464=18, ~11551=17...(10) HD3 ARG 49 + HG2 PRO 118 OK 45 100 - 45 - 10983/1.8=16...(9) HA2 GLY 78 + HG2 PRO 118 OK 16 100 - 16 - 2349/3.8=3, 1.8/3964=2...(5) HB3 TRP 88 - HG2 PRO 118 lone 4 72 - 6 - ~2828=2 HB3 ASP 30 - HG2 PRO 118 lone 3 72 - 4 - Peak 11553 from cnoeabs.peaks (2.29, 1.16, 24.82 ppm; 5.67 A): 2 out of 8 assignments used, quality = 0.96: HG3 GLU 75 + HG2 LYS 76 OK 90 100 - 90 - 3.0/11555=27...(21) HG3 GLU 81 + HG2 LYS 76 OK 60 100 - 60 - 8790/11055=17...(12) HG2 GLU 120 - HG2 LYS 76 OK 27 81 - 33 - 6810/5.1=5, 11604/3.0=4...(12) HG2 GLU 90 - HG2 LYS 76 OK 22 62 - 36 - 3.8/9890=12, 10073/3.9=9...(6) HG2 GLU 131 - HG2 LYS 76 OK 16 68 - 24 - ~9561=5, 10406/3.0=4...(7) HG2 GLN 62 - HG2 LYS 76 OK 10 100 - 10 - 6810/5.1=2, 10008/9943=1 HG3 GLN 62 - HG2 LYS 76 lone 9 100 - 9 - 6810/5.1=2 HG3 GLU 142 - HG2 LYS 76 poor 9 68 - 14 - 3.0/11555=3, 6810/5.1=2 Peak 11554 from cnoeabs.peaks (2.14, 1.16, 24.82 ppm; 5.17 A): 4 out of 6 assignments used, quality = 0.90: HG LEU 29 + HG2 LYS 76 OK 62 68 - 91 - 2.1/8075=26, 2.1/8074=20...(35) HG2 GLU 81 + HG2 LYS 76 OK 52 100 - 52 - 8782/9943=13, 8779/1.8=9...(13) HB3 GLN 133 + HG2 LYS 76 OK 27 100 - 27 - 3.0/9615=11, ~10312=3...(8) HB2 GLN 133 + HG2 LYS 76 OK 26 100 - 26 - 3.0/9615=11, ~10312=3...(8) HG3 PRO 118 - HG2 LYS 76 poor 10 96 - 10 - 3977/9615=1, 383/8075=1 HG2 GLN 111 - HG2 LYS 76 lone 4 68 - 5 - Peak 11555 from cnoeabs.peaks (1.98, 1.16, 24.82 ppm; 4.42 A): 3 out of 7 assignments used, quality = 0.83: HB3 GLU 75 + HG2 LYS 76 OK 77 100 - 77 - 8636=25, 4.4/2273=17...(19) HB VAL 63 + HG2 LYS 76 OK 14 68 - 21 - 8356=5, 2.1/9871=5...(6) HB3 ARG 124 + HG2 LYS 76 OK 13 100 - 13 - 6808/5.1=4, 11081/2275=2 HB2 GLU 142 - HG2 LYS 76 poor 10 92 - 11 - 6808/5.1=3, 2227/8634=2 QE MET 59 - HG2 LYS 76 poor 9 72 - 12 - 10408/9944=4, ~10576=1 HB2 LYS 34 - HG2 LYS 76 lone 4 72 - 5 - 3.0/9890=2 HB3 MET 11 - HG2 LYS 76 lone 2 68 - 3 - Peak 11556 from cnoeabs.peaks (2.21, 1.53, 24.82 ppm; 6.19 A): 5 out of 8 assignments used, quality = 0.95: HG2 GLU 75 + HG3 LYS 76 OK 56 62 - 90 - ~11555=23, ~8636=20...(18) HB2 GLU 28 + HG2 LYS 93 OK 46 79 - 58 - ~8054=13, ~3058=6...(19) HB2 GLU 28 + HG3 LYS 76 OK 45 96 - 47 - 4.3/6122=7, 314/3.0=5...(19) HG2 GLU 28 + HG2 LYS 93 OK 44 71 - 62 - ~8054=15, 8050/3.8=9...(18) HG2 GLU 28 + HG3 LYS 76 OK 33 89 - 37 - ~335=4, ~335=4, ~314=4...(16) HG2 GLU 75 - HG2 LYS 93 poor 5 47 - 11 - 5.0/8626=2, 6809/2284=1 HB3 PRO 12 - HG3 LYS 76 lone 4 99 - 4 - HB3 PRO 12 - HG2 LYS 93 lone 4 83 - 4 - ~9041=1 Peak 11557 from cnoeabs.peaks (1.38, 0.62, 26.93 ppm; 4.15 A): 4 out of 7 assignments used, quality = 0.98: HG LEU 132 + QD2 LEU 79 OK 69 100 - 70 - 2.1/8738=36, ~10979=12...(15) HB2 LEU 69 + QD2 LEU 79 OK 63 100 - 63 - 3.2/8478=16...(15) HB2 ARG 109 + QD2 LEU 79 OK 60 100 - 60 - 3.0/8728=14, ~9271=9...(20) HB VAL 82 + QD2 LEU 79 OK 52 89 - 58 - ~9941=13, ~9982=12...(13) HB3 LEU 39 - QD2 LEU 79 OK 12 99 - 12 - 4506/8738=2, 2364/3.8=2 HG2 ARG 49 - QD2 LEU 79 OK 11 96 - 11 - 11004=2, 4499/8738=2, 2364/3.8=1 HG2 LYS 86 - QD2 LEU 79 lone 8 85 - 9 - 4506/8738=1 Peak 11558 from cnoeabs.peaks (1.39, 0.78, 22.56 ppm; 3.21 A): 5 out of 21 assignments used, quality = 0.80: HB2 LEU 69 + QD1 LEU 79 OK 37 77 - 49 - 4.0/9930=9, 11005=6...(16) HG2 LYS 86 + QD2 LEU 95 OK 34 82 - 42 - 2709/3.1=6, 11005=5...(20) HB2 ARG 109 + QD1 LEU 79 OK 27 62 - 43 - 3.0/9271=8, ~8728=5...(16) HB2 LEU 69 + QD2 LEU 95 OK 21 60 - 35 - 4.0/9930=6, 3.0/8468=5...(13) HB2 ARG 35 + QD1 LEU 79 OK 16 89 - 18 - ~8737=4, ~8737=3...(6) HB2 ARG 35 - QD2 LEU 95 poor 8 71 - 11 - 596/2.1=1 HG LEU 116 - QD1 LEU 79 lone 7 94 - 8 - 11004/2.1=2 HG2 LYS 86 - QD1 LEU 79 lone 7 98 - 7 - HG2 ARG 49 - QD1 LEU 79 lone 6 89 - 7 - 11004/2.1=1 HB2 LEU 69 - QG2 THR 74 poor 6 44 - 13 - 4.0/8466=2, 3.0/8468=2...(7) HG LEU 116 - QD2 LEU 95 lone 5 77 - 7 - ~10297=1, ~10116=1 HD2 LYS 114 - QD1 LEU 79 lone 5 77 - 6 - ~8725=1, ~8725=1 HB2 ARG 109 - QD2 LEU 95 lone 5 47 - 10 - 3.0/9271=3 HG2 ARG 49 - QD2 LEU 95 lone 4 71 - 6 - 11422/11419=1 HB2 ARG 109 - QG2 THR 74 poor 4 35 - 11 - 3.0/9271=3, ~3528=2...(4) HG LEU 116 - QG2 THR 74 lone 4 59 - 6 - 3885/4.3=2, ~10695=2 HD2 LYS 114 - QD2 LEU 95 lone 2 60 - 4 - HG2 ARG 49 - QG2 THR 74 lone 2 54 - 4 - HG2 LYS 86 - QG2 THR 74 lone 2 63 - 2 - HD2 LYS 114 - QG2 THR 74 lone 1 44 - 3 - HB2 ARG 35 - QG2 THR 74 lone 1 54 - 1 - Peak 11559 from cnoeabs.peaks (6.77, 0.62, 26.93 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.75: QE TYR 112 + QD2 LEU 79 OK 75 89 - 84 - 2.2/8717=50...(8) HZ3 TRP 17 - QD2 LEU 79 lone 3 100 - 3 - Peak 11560 from cnoeabs.peaks (6.75, 0.78, 22.56 ppm; 4.64 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11561 from cnoeabs.peaks (7.90, 1.80, 29.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.87: HD22 ASN 139 + HD3 LYS 86 OK 71 100 - 71 - ~11565=26, 11562/1.8=25...(8) H ILE 83 + HD3 LYS 86 OK 53 100 - 53 - 11562/1.8=19, 4.4/2738=7...(11) Peak 11562 from cnoeabs.peaks (7.89, 1.70, 29.40 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.71: HD22 ASN 139 + HD2 LYS 86 OK 52 96 - 54 - 1.7/11565=20...(8) H ILE 83 + HD2 LYS 86 OK 40 85 - 47 - 11561/1.8=10, 3.6/2476=9...(14) Peak 11563 from cnoeabs.peaks (8.13, 1.70, 29.40 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.87: H LEU 87 + HD2 LYS 86 OK 82 94 - 87 - 11564/1.8=23...(16) H TYR 115 + HD2 LYS 86 OK 27 99 - 27 - 11564/1.8=9, 2724/3.0=7...(5) H HIS 14 - HD2 LYS 86 lone 1 68 - 1 - Peak 11564 from cnoeabs.peaks (8.12, 1.80, 29.40 ppm; 5.82 A): 2 out of 2 assignments used, quality = 0.94: H LEU 87 + HD3 LYS 86 OK 90 99 - 91 - 11563/1.8=35...(17) H TYR 115 + HD3 LYS 86 OK 34 100 - 33 - 11563/1.8=11...(5) Peak 11565 from cnoeabs.peaks (6.96, 1.70, 29.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.66: HD21 ASN 139 + HD2 LYS 86 OK 57 85 - 67 - 1.7/11562=28, ~11561=21...(6) QD PHE 38 + HD2 LYS 86 OK 22 98 - 23 - 11488/3.0=8, 11488/3.0=8...(4) Peak 11566 from cnoeabs.peaks (1.29, 0.42, 24.59 ppm; 3.67 A): 4 out of 4 assignments used, quality = 0.80: HG LEU 87 + QG2 VAL 82 OK 65 68 - 97 - 2.1/8798=43, 3.0/8878=21...(24) QB ALA 104 + QG2 VAL 82 OK 21 96 - 21 - 9196/8798=6, 2.9/9978=3...(7) HG13 ILE 58 + QG2 VAL 82 OK 14 100 - 15 - 11009=5, 2.9/11010=2 HG12 ILE 58 + QG2 VAL 82 OK 14 100 - 14 - 1.8/11009=6, 2812/8882=2 Peak 11567 from cnoeabs.peaks (1.75, 0.42, 24.59 ppm; 3.82 A): 2 out of 7 assignments used, quality = 0.97: HB ILE 83 + QG2 VAL 82 OK 86 94 - 91 - 4.0/6908=21, ~9989=18...(28) HB2 GLU 81 + QG2 VAL 82 OK 81 94 - 86 - 4.6/6896=23, 4.0/8776=20...(20) HB2 ARG 49 - QG2 VAL 82 OK 35 98 - 35 - 11010=6, 5.1/11597=4...(11) HD2 LYS 36 - QG2 VAL 82 OK 21 68 - 31 - 11010=5, 3.6/8801=5...(11) HG LEU 95 - QG2 VAL 82 OK 17 72 - 24 - ~9941=5, ~9982=5...(9) HG3 ARG 140 - QG2 VAL 82 poor 10 96 - 10 - 11010=2, 4.9/9978=2 HB2 PRO 12 - QG2 VAL 82 poor 8 68 - 12 - 3.9/9979=3, 6910/4.4=2 Peak 11568 from cnoeabs.peaks (1.53, 0.42, 24.59 ppm; 3.25 A): 2 out of 9 assignments used, quality = 0.96: HG3 LYS 76 + QG2 VAL 82 OK 83 100 - 83 - 1.8/9943=21...(19) HD2 LYS 76 + QG2 VAL 82 OK 78 100 - 78 - 1.8/11718=21...(17) HG3 LYS 85 - QG2 VAL 82 OK 34 89 - 39 - 3.0/8801=5, ~2580=4...(18) HG2 LYS 93 - QG2 VAL 82 OK 32 100 - 32 - 11717=5, 3045/3.2=3...(14) QB ALA 135 - QG2 VAL 82 OK 17 96 - 18 - 10442=3, 9646/8743=2...(4) HB2 LEU 29 - QG2 VAL 82 OK 17 98 - 17 - 3.2/10010=3, 4.2/9999=2...(6) HB2 LYS 123 - QG2 VAL 82 OK 15 72 - 21 - 9465/8798=4, 1.8/8655=3...(6) HG2 ARG 55 - QG2 VAL 82 lone 6 62 - 9 - 3.0/8804=2, 3.0/8804=1...(4) HG3 PRO 57 - QG2 VAL 82 lone 3 81 - 4 - Peak 11569 from cnoeabs.peaks (2.27, 1.57, 28.74 ppm; 4.79 A): 5 out of 14 assignments used, quality = 0.80: HG3 GLU 81 + HD3 LYS 85 OK 57 68 - 84 - ~8780=18, ~11570=15...(22) HG3 GLU 81 + HD2 LYS 85 OK 34 42 - 81 - ~8780=18, ~8780=13...(21) HG2 GLU 131 + HD3 LYS 85 OK 14 100 - 14 - ~9566=3, ~9569=3...(5) HB3 MET 113 + HD3 LYS 85 OK 11 100 - 11 - ~8864=3, ~10050=2...(4) HG2 GLU 131 + HD2 LYS 85 OK 10 73 - 14 - ~9566=3, ~9569=3...(5) HB3 MET 113 - HD2 LYS 85 poor 8 73 - 11 - ~8864=3, 3.0/10050=2...(4) HG2 GLN 62 - HD3 LYS 85 lone 2 62 - 4 - ~9828=1 HG2 GLU 90 - HD3 LYS 85 lone 2 100 - 2 - HG2 GLU 90 - HD2 LYS 85 lone 2 73 - 3 - HG3 GLU 142 - HD3 LYS 85 lone 2 100 - 2 - HG2 GLN 62 - HD2 LYS 85 lone 2 39 - 4 - ~9828=1 HG3 GLU 142 - HD2 LYS 85 lone 1 73 - 2 - HG3 PRO 129 - HD3 LYS 85 lone 1 85 - 2 - HG3 PRO 129 - HD2 LYS 85 lone 1 56 - 2 - Peak 11570 from cnoeabs.peaks (2.14, 1.57, 28.74 ppm; 4.15 A): 3 out of 10 assignments used, quality = 0.88: HG2 GLU 81 + HD2 LYS 85 OK 71 100 - 71 - 8780/3.0=19, 8779/3.0=14...(19) HG2 GLU 81 + HD3 LYS 85 OK 54 73 - 74 - 8780/3.0=19, 8779/3.0=14...(20) HB2 GLN 133 + HD2 LYS 85 OK 10 99 - 10 - ~10042=3, 10043/3.0=2, ~10043=2 HB3 GLN 133 - HD2 LYS 85 poor 10 98 - 10 - ~10042=3, 10043/3.0=2, ~10043=2 HB2 GLN 133 - HD3 LYS 85 lone 7 70 - 10 - ~10042=3, 10043/3.0=2, ~10043=2 HB3 GLN 133 - HD3 LYS 85 lone 7 69 - 10 - ~10042=3, 10043/3.0=2, ~10043=2 HG3 PRO 118 - HD2 LYS 85 lone 3 100 - 3 - HG2 GLN 111 - HD2 LYS 85 lone 2 85 - 3 - 8892/10051=2 HG3 PRO 118 - HD3 LYS 85 lone 2 73 - 2 - HG2 GLN 111 - HD3 LYS 85 lone 1 56 - 2 - 8892/10051=1 Peak 11571 from cnoeabs.peaks (0.77, 3.30, 29.09 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.96: QG2 VAL 73 + HB2 TRP 88 OK 60 81 - 73 - 8555/6.4=27, 8556/7.3=22...(11) QD1 LEU 72 + HB2 TRP 88 OK 49 89 - 55 - ~8932=11, 10168/3.0=9...(13) QD1 ILE 136 + HB2 TRP 88 OK 48 85 - 56 - 9668=10, ~10751=8...(12) QD2 LEU 72 + HB2 TRP 88 OK 47 98 - 48 - 8932/3.0=11, ~10168=10...(11) QD2 LEU 95 + HB2 TRP 88 OK 34 81 - 42 - 8932/3.0=8, 4706/6.5=7...(11) QD1 LEU 79 - HB2 TRP 88 OK 34 62 - 54 - 8943/6.5=15, 8944/7.3=12...(9) Peak 11572 from cnoeabs.peaks (0.70, 3.07, 29.09 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.79: QD1 LEU 87 + HB3 TRP 88 OK 55 99 - 55 - 7014/4.0=24, ~8904=19...(7) QD2 LEU 87 + HB3 TRP 88 OK 53 98 - 54 - 2808/4.0=25, 8904/3.0=21...(7) Peak 11573 from cnoeabs.peaks (7.14, 7.49, 128.32 ppm; 6.75 A): 0 out of 3 assignments used, low quality = 0.15: QD PHE 106 - HD1 TRP 88 OK 15 99 - 15 - 10209/8926=12 QD TYR 117 - HD1 TRP 88 lone 8 90 - 8 - 10209/8926=5 QE PHE 45 - HD1 TRP 88 lone 4 56 - 7 - 9827/9803=2, 10835/3.9=1 Peak 11574 from cnoeabs.peaks (0.89, 1.65, 27.04 ppm; 3.79 A): 4 out of 7 assignments used, quality = 0.86: QG2 ILE 136 + HG2 ARG 140 OK 58 77 - 76 - 11575/1.8=13, 2.1/4734=7...(40) QD1 ILE 101 + HG2 ARG 140 OK 38 89 - 43 - 11575/1.8=8, ~11016=4...(20) QG2 ILE 101 + HG2 ARG 140 OK 34 77 - 45 - 11575/1.8=8, ~11575=4...(18) QG2 VAL 80 + HG2 ARG 140 OK 17 100 - 17 - 11575/1.8=3, 9738/4.9=3...(4) QD1 LEU 97 - HG2 ARG 140 poor 8 68 - 12 - 11575/1.8=2, 10132/2.9=1 QG1 VAL 63 - HG2 ARG 140 lone 3 77 - 4 - 9738/4.9=2 QG1 VAL 53 - HG2 ARG 140 lone 2 81 - 3 - Peak 11575 from cnoeabs.peaks (0.89, 1.74, 27.04 ppm; 3.80 A): 5 out of 5 assignments used, quality = 0.94: QG2 ILE 136 + HG3 ARG 140 OK 74 96 - 77 - 11574/1.8=12...(42) QG2 ILE 101 + HG3 ARG 140 OK 45 96 - 46 - 11574/1.8=7, ~11574=4...(20) QD1 ILE 101 + HG3 ARG 140 OK 43 100 - 44 - 11574/1.8=8, ~11015=4...(20) QG2 VAL 80 + HG3 ARG 140 OK 16 98 - 16 - 11574/1.8=4, 9738/4.9=3...(4) QD1 LEU 97 + HG3 ARG 140 OK 13 92 - 14 - 10132/2.9=2, 11574/1.8=2 Peak 11576 from cnoeabs.peaks (8.01, 3.19, 43.40 ppm; 5.06 A): 3 out of 12 assignments used, quality = 0.96: H ARG 145 + HD3 ARG 144 OK 78 96 - 81 - 7887/5.2=26, 7888/4.0=24...(8) H ARG 145 + HD2 ARG 144 OK 69 85 - 81 - 7887/5.2=26, 7888/4.0=24...(8) H THR 51 + HD3 ARG 144 OK 48 100 - 48 - 8221/3.0=18, 4891/4.0=8...(8) H THR 51 - HD2 ARG 144 OK 41 92 - 45 - 8221/3.0=18, 4891/4.0=8...(7) H ARG 145 - HD3 ARG 55 OK 33 76 - 43 - 7892=7, 7892/1.8=6...(10) H ARG 145 - HD2 ARG 55 OK 22 50 - 45 - 3.0/10388=7, 7892=7...(10) H ALA 104 - HD3 ARG 144 poor 8 62 - 13 - 4918/3.0=2, 4900/4.0=2...(6) H ALA 104 - HD2 ARG 144 poor 7 52 - 13 - 4918/3.0=2, 4900/4.0=2...(6) H THR 51 - HD3 ARG 55 lone 6 83 - 7 - 4.0/10462=1, 11456/6.4=1 H THR 51 - HD2 ARG 55 lone 4 55 - 7 - 11456/6.4=1 H ALA 104 - HD3 ARG 55 lone 3 45 - 6 - 11456/6.4=4 H ALA 104 - HD2 ARG 55 lone 2 28 - 6 - 11456/6.4=4 Peak 11577 from cnoeabs.peaks (1.90, 0.93, 18.02 ppm; 3.98 A): 7 out of 10 assignments used, quality = 0.95: HB3 LYS 93 + QG2 ILE 91 OK 53 94 - 56 - 4.7/10082=12...(20) HB3 LEU 69 + QG2 ILE 91 OK 45 94 - 48 - 3.2/9894=14, ~9935=8...(12) HB2 LYS 24 + QG2 ILE 91 OK 44 100 - 44 - 10883/3.2=6, 3.0/2966=4...(21) HB ILE 136 + QG2 ILE 91 OK 41 68 - 61 - 3.0/2963=8, 2.5/8970=5...(32) HB3 ARG 89 + QG2 ILE 91 OK 18 100 - 18 - 4.4/10074=9, 9014/4.3=4 QE MET 68 + QG2 ILE 91 OK 15 89 - 17 - 8424/8970=2, 8454/8531=2...(8) HB ILE 101 + QG2 ILE 91 OK 10 100 - 10 - 9014/4.3=1 HB3 GLN 111 - QG2 ILE 91 lone 8 100 - 8 - ~3615=1 HB3 ARG 140 - QG2 ILE 91 lone 7 96 - 7 - 4.0/10083=2 HB3 ARG 141 - QG2 ILE 91 lone 4 85 - 5 - Peak 11578 from cnoeabs.peaks (4.33, 1.15, 22.16 ppm; 3.70 A): 0 out of 3 assignments used, low quality = 0.27: HA PRO 12 - QG2 THR 92 OK 18 100 - 18 - 74/3.2=5, 3.6/3006=4...(5) HA ILE 56 - QG2 THR 92 OK 11 62 - 18 - 3.0/10083=5, 3.2/9027=4...(6) HA TYR 70 - QG2 THR 92 lone 9 100 - 9 - ~4696=2, 2.9/6708=1 Peak 11579 from cnoeabs.peaks (7.67, 1.70, 42.25 ppm; 6.02 A): 0 out of 1 assignment used, low quality = 0.19: H GLY 50 - HB3 LEU 95 OK 19 72 - 27 - 3.6/3136=5, 7135/4.6=4...(8) Peak 11580 from cnoeabs.peaks (8.09, 1.70, 42.25 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.90: H ASN 96 + HB3 LEU 95 OK 81 81 - 100 - 4.6=100 H ASP 16 + HB3 LEU 95 OK 46 96 - 47 - 11581/1.8=35, 9938/3.1=9...(6) Peak 11581 from cnoeabs.peaks (8.10, 1.67, 42.25 ppm; 5.61 A): 0 out of 1 assignment used, low quality = 0.18: H ASP 16 - HB2 LEU 95 OK 18 99 - 18 - 11580/1.8=7, 9938/3.1=6...(4) Peak 11582 from cnoeabs.peaks (2.33, 1.57, 41.41 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.76: HG3 GLU 120 + HB2 LEU 126 OK 53 77 - 68 - ~11604=13, ~9494=13...(19) HG2 GLU 142 + HB2 LEU 126 OK 49 98 - 50 - 4.0/10680=21, ~10683=5...(13) HB3 GLN 47 - HB2 LEU 126 lone 5 94 - 5 - Peak 11583 from cnoeabs.peaks (8.48, 1.59, 41.06 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.92: H VAL 80 + HB2 LEU 79 OK 92 92 - 100 - 4.1=100 Peak 11584 from cnoeabs.peaks (8.80, 1.59, 41.06 ppm; 6.64 A): 1 out of 2 assignments used, quality = 0.77: H LEU 79 + HB2 LEU 79 OK 77 77 - 100 - 3.6=100 H PHE 45 - HB2 LEU 79 lone 2 96 - 2 - Peak 11585 from cnoeabs.peaks (1.35, 0.88, 26.03 ppm; 3.77 A): 3 out of 3 assignments used, quality = 0.82: QB ALA 60 + QD1 LEU 97 OK 55 92 - 59 - 11586/2.1=19...(11) HB3 ARG 49 + QD1 LEU 97 OK 49 100 - 49 - 11586/2.1=17, 8196/4.6=8...(13) HD3 LYS 76 + QD1 LEU 97 OK 22 100 - 22 - 11586/2.1=7, 3.0/9130=5...(7) Peak 11586 from cnoeabs.peaks (1.35, 0.85, 22.50 ppm; 3.03 A): 3 out of 3 assignments used, quality = 0.60: QB ALA 60 + QD2 LEU 97 OK 35 92 - 38 - 11585/2.1=10...(10) HB3 ARG 49 + QD2 LEU 97 OK 30 100 - 30 - 11585/2.1=9, 4.7/3216=4...(9) HD3 LYS 76 + QD2 LEU 97 OK 12 100 - 12 - 11585/2.1=4, ~9130=1, ~10104=1 Peak 11587 from cnoeabs.peaks (9.20, 2.00, 27.32 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: H TYR 112 + HB2 GLN 111 OK 99 99 - 100 - 4.6=100 H TYR 112 + HG3 PRO 52 OK 63 93 - 68 - 3.6/3618=14, ~3656=14...(15) H ASP 65 - HB2 GLN 111 OK 39 100 - 39 - 7334/3.9=8, 11255/1.8=7...(9) H ASP 65 - HG3 PRO 52 OK 36 94 - 39 - ~8235=23, ~8234=7...(6) Peak 11588 from cnoeabs.peaks (6.66, 1.22, 21.95 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.60: HE22 GLN 111 + QG2 THR 107 OK 60 98 - 61 - 3.5/9254=27...(5) Peak 11589 from cnoeabs.peaks (6.87, 1.22, 21.95 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.00: HE21 GLN 62 - QG2 THR 107 lone 6 85 - 7 - 4.6/11043=2 HZ PHE 23 - QG2 THR 107 lone 5 72 - 7 - 11196/9247=2, 11198/9245=1 HE22 GLN 47 - QG2 THR 107 lone 4 77 - 5 - Peak 11591 from cnoeabs.peaks (3.95, 1.58, 26.88 ppm; 4.76 A): 5 out of 7 assignments used, quality = 0.90: HA PHE 106 + HG3 ARG 109 OK 74 98 - 76 - 3427/4.3=17, 3539/2.8=16...(32) HA ALA 60 + HG3 ARG 109 OK 25 100 - 25 - 3539/2.8=5, 4.8/3559=5...(8) HA3 GLY 94 + HG3 ARG 109 OK 23 100 - 23 - 3539/2.8=6, 7281/4.3=4...(7) HA LYS 48 + HG3 ARG 109 OK 22 100 - 22 - 7281/4.3=5, 3539/2.8=5...(5) HB3 SER 103 + HG3 ARG 109 OK 14 89 - 16 - 10189/10732=3...(7) HD3 PRO 129 - HG3 ARG 109 lone 6 81 - 7 - 3539/2.8=1, ~10743=1, 9276/3.9=1 HA LEU 29 - HG3 ARG 109 lone 4 77 - 5 - 3.6/10733=1 Peak 11592 from cnoeabs.peaks (0.65, 2.00, 27.32 ppm; 6.25 A): 2 out of 2 assignments used, quality = 0.55: QD1 LEU 126 + HB2 GLN 111 OK 49 81 - 60 - 9299/4.6=24...(14) QD1 LEU 126 + HG3 PRO 52 OK 13 74 - 17 - 10258/2.3=3, 9299/7359=2...(6) Peak 11593 from cnoeabs.peaks (9.20, 1.90, 27.32 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.77: H TYR 112 + HB3 GLN 111 OK 72 72 - 100 - 4.6=100 H ASP 65 + HB3 GLN 111 OK 17 77 - 22 - 7334/3.9=6, 11587/1.8=5...(4) Peak 11594 from cnoeabs.peaks (2.69, 3.91, 62.06 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.90: HB3 TYR 115 + HA TYR 112 OK 83 100 - 83 - 4.7/10245=46...(10) HB2 ASP 32 + HA TYR 112 OK 20 100 - 20 - 10805/9300=5...(8) HB3 ASP 13 + HA TYR 112 OK 17 94 - 18 - 9386/10184=5...(4) HB2 PHE 43 + HA TYR 112 OK 15 96 - 15 - 10684/10223=4...(5) HB2 ASP 137 - HA TYR 112 lone 8 100 - 8 - 7438/10245=2, 7430/3661=1 HB3 ASP 16 - HA TYR 112 lone 8 98 - 8 - 3853/10245=1 Peak 11595 from cnoeabs.peaks (7.15, 2.25, 32.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.94: QD TYR 117 + HG2 MET 113 OK 79 94 - 84 - ~10189=41, 9310/3.3=38...(7) QE TYR 115 + HG2 MET 113 OK 70 96 - 73 - 10185/3.7=45...(14) QD PHE 106 - HG2 MET 113 poor 10 62 - 16 - 9310/3.3=7, 11596/1.8=5 Peak 11596 from cnoeabs.peaks (7.14, 2.75, 32.48 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.83: QD TYR 117 + HG3 MET 113 OK 80 98 - 81 - ~10189=41, 9310/3.3=40...(8) QD PHE 106 + HG3 MET 113 OK 18 100 - 18 - 9310/3.3=10...(5) Peak 11597 from cnoeabs.peaks (7.50, 0.42, 24.59 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.52: H TYR 70 + QG2 VAL 82 OK 24 77 - 32 - 10774/8819=5, 3.6/9987=5...(11) HE ARG 49 + QG2 VAL 82 OK 22 92 - 23 - 5.1/11010=4, 9924/8594=4...(9) HE22 GLN 25 + QG2 VAL 82 OK 19 100 - 19 - 9924/8594=10...(4) Peak 11599 from cnoeabs.peaks (0.30, 2.95, 41.04 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.86: QD2 LEU 42 + HB2 TYR 115 OK 86 98 - 88 - ~10279=44, 10949=22...(13) Peak 11600 from cnoeabs.peaks (3.87, 3.22, 37.52 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.39: HA LYS 36 - HB3 TYR 117 OK 39 100 - 39 - 10538/3.9=22, ~4751=10...(4) Peak 11601 from cnoeabs.peaks (4.08, 3.22, 37.52 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.80: HD3 PRO 118 + HB3 TYR 117 OK 68 68 - 100 - 4.5=100 HA VAL 53 + HB3 TYR 117 OK 31 100 - 31 - 9807/2.7=10, ~9808=7...(5) HD3 PRO 33 + HB3 TYR 117 OK 11 62 - 18 - 3930/4.5=9, 439/4.5=4, ~4751=4 HA LEU 26 - HB3 TYR 117 lone 8 92 - 8 - 10890/9407=2...(3) HA LEU 132 - HB3 TYR 117 lone 8 100 - 8 - 3930/4.5=5 HA LYS 34 - HB3 TYR 117 lone 6 98 - 6 - 3930/4.5=2 HA GLU 90 - HB3 TYR 117 lone 4 100 - 4 - Peak 11602 from cnoeabs.peaks (8.56, 2.72, 30.57 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.78: H CYS 121 + HB3 GLU 120 OK 62 62 - 100 - 4.6=100 H LYS 85 + HB3 GLU 120 OK 24 100 - 24 - 4.7/2564=6, 5.1/8864=5...(6) H LEU 72 + HB3 GLU 120 OK 16 85 - 19 - 4.3/8504=5, ~11519=4...(4) H ASP 40 + HB3 GLU 120 OK 10 62 - 16 - 4.1/6258=5, 6274/6244=2...(4) Peak 11603 from cnoeabs.peaks (8.53, 2.61, 30.57 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.91: H CYS 121 + HB2 GLU 120 OK 81 81 - 100 - 4.6=100 H MET 46 + HB2 GLU 120 OK 51 96 - 53 - 4.0/4017=10, ~1043=9...(10) H GLN 111 - HB2 GLU 120 lone 5 100 - 5 - 7488/3.6=1 Peak 11604 from cnoeabs.peaks (1.85, 2.30, 36.86 ppm; 5.88 A): 5 out of 12 assignments used, quality = 0.84: HB3 LEU 126 + HG2 GLU 120 OK 56 85 - 65 - 4.0/10340=16...(16) HB3 LYS 76 + HG2 GLU 120 OK 31 94 - 33 - 4.0/6810=5, 3.0/11553=3...(14) HB3 LYS 76 + HG3 GLU 75 OK 29 32 - 91 - ~8646=19, ~8634=19...(20) HB3 LYS 85 + HG2 GLU 120 OK 15 81 - 19 - ~8864=5, 3.6/11012=3...(6) HB3 LEU 126 + HG3 GLU 75 OK 15 28 - 53 - 8627/5.0=12, 3.1/9494=11...(12) HB2 LYS 93 - HG2 GLU 120 lone 7 92 - 8 - 7576/10340=2, 4301/9494=1 HG LEU 69 - HG3 GLU 75 poor 6 29 - 20 - ~9931=6, 8627/5.0=5...(4) HG LEU 69 - HG2 GLU 120 lone 5 89 - 5 - 8472/9494=1 HB2 LYS 93 - HG3 GLU 75 poor 4 31 - 13 - 8627/5.0=3, ~8635=1...(5) HB3 LYS 85 - HG3 GLU 75 poor 4 26 - 15 - ~8635=2, 8627/5.0=2...(6) HB3 GLU 28 - HG2 GLU 120 lone 3 96 - 3 - HB3 GLU 28 - HG3 GLU 75 lone 1 34 - 4 - Peak 11605 from cnoeabs.peaks (1.56, 2.32, 36.86 ppm; 6.80 A): 5 out of 18 assignments used, quality = 0.88: HB2 LEU 126 + HG3 GLU 120 OK 70 100 - 70 - 11582=16, ~11604=13...(19) HD2 LYS 85 + HG3 GLU 120 OK 27 100 - 27 - ~8864=7, 11012/1.8=4...(9) HD3 LYS 85 + HG3 GLU 120 OK 23 89 - 26 - ~8864=7, 1.8/11012=4...(9) HB2 LEU 126 + HG2 GLU 142 OK 21 39 - 56 - 10680/4.0=20, 11582=15...(13) HG3 ARG 124 + HG3 GLU 120 OK 10 81 - 12 - 3.8/9775=5, 11072/9494=3 HG3 ARG 124 - HG2 GLU 142 poor 9 27 - 32 - ~4207=3, ~4225=3...(14) HB2 LEU 66 - HG3 GLU 120 lone 6 98 - 6 - HG2 ARG 109 - HG3 GLU 120 lone 4 100 - 4 - HG2 ARG 145 - HG3 GLU 120 lone 3 100 - 3 - HG3 ARG 145 - HG3 GLU 120 lone 3 100 - 3 - HG3 ARG 109 - HG3 GLU 120 lone 3 72 - 4 - HD2 LYS 85 - HG2 GLU 142 lone 2 40 - 4 - HD3 LYS 85 - HG2 GLU 142 lone 1 31 - 4 - HG3 ARG 145 - HG2 GLU 142 lone 1 40 - 2 - HG2 ARG 109 - HG2 GLU 142 lone 1 39 - 3 - HG2 ARG 145 - HG2 GLU 142 lone 1 39 - 2 - HB2 LEU 66 - HG2 GLU 142 lone 1 37 - 3 - HG3 ARG 109 - HG2 GLU 142 lone 1 23 - 3 - Peak 11606 from cnoeabs.peaks (0.33, 1.94, 29.51 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.82: HG2 LYS 123 + HB3 GLU 122 OK 75 77 - 97 - 7532/4.7=31...(32) QD1 ILE 91 + HB3 GLU 122 OK 30 98 - 30 - 11036/1.8=9, ~11533=3...(10) Peak 11607 from cnoeabs.peaks (6.32, 0.34, 22.91 ppm; 5.76 A): 1 out of 1 assignment used, quality = 0.79: QD TYR 119 + HG2 LYS 123 OK 79 100 - 79 - 2.2/9463=45, ~9464=38...(9) Peak 11608 from cnoeabs.peaks (2.12, 0.76, 22.25 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.98: HB VAL 73 + QD2 LEU 72 OK 90 100 - 91 - 2.1/9948=30, 4.0/2148=17...(32) HB2 GLU 75 + QD2 LEU 72 OK 82 99 - 83 - 3.0/11723=17...(28) HG2 GLN 111 - QD2 LEU 72 lone 7 77 - 9 - 2113/3.9=1 Peak 11609 from cnoeabs.peaks (1.97, 0.76, 22.25 ppm; 4.06 A): 3 out of 6 assignments used, quality = 0.93: HB3 GLU 75 + QD2 LEU 72 OK 78 100 - 78 - 1.8/11608=16...(25) HB3 ARG 124 + QD2 LEU 72 OK 53 100 - 54 - 9484=7, 1.8/9481=6...(21) HB2 LYS 34 + QD2 LEU 72 OK 32 81 - 39 - 3.4/2145=4, 3.4/2145=4...(24) HB3 MET 11 - QD2 LEU 72 OK 24 77 - 31 - 1.8/2144=4, 3.0/9952=3...(14) QE MET 59 - QD2 LEU 72 OK 15 62 - 25 - 1636/2.1=3, 4.2/2145=3...(10) HB2 GLU 142 - QD2 LEU 72 poor 9 85 - 11 - 2114/3.9=2, 3.0/9559=1...(4) Peak 11610 from cnoeabs.peaks (3.07, 4.08, 57.69 ppm; 6.42 A): 5 out of 8 assignments used, quality = 0.92: HA TYR 119 + HA LEU 132 OK 66 92 - 71 - 11039=32, 10704/3.8=27...(11) HD3 ARG 49 + HA LEU 132 OK 43 99 - 43 - 11511/2.9=7, 1295/3.7=6...(13) HA2 GLY 78 + HA LEU 132 OK 36 96 - 37 - 8706/3.8=29...(5) HE2 LYS 86 + HA LEU 132 OK 19 85 - 22 - 3.9/4472=4, ~2738=3...(8) HE3 LYS 86 + HA LEU 132 OK 18 81 - 22 - 3.9/4472=4, ~2738=3...(8) HB3 TRP 88 - HA LEU 132 lone 6 94 - 6 - 9669/10292=2 HB2 TYR 27 - HA LEU 132 lone 5 62 - 7 - ~9589=2, 3.9/6089=2 HB3 ASP 30 - HA LEU 132 lone 3 94 - 4 - Peak 11611 from cnoeabs.peaks (0.99, 1.52, 18.21 ppm; 4.50 A): 3 out of 3 assignments used, quality = 0.94: HG12 ILE 136 + QB ALA 135 OK 80 99 - 81 - 10964=35, 7749/3.7=22...(15) QD1 LEU 116 + QB ALA 135 OK 51 100 - 51 - 10964=15, 7749/3.7=9...(18) HB2 LEU 39 + QB ALA 135 OK 38 96 - 40 - 3.2/10978=10, 3.0/9643=9...(11) Peak 11612 from cnoeabs.peaks (3.35, 0.91, 22.18 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.57: HD2 PRO 57 + QG1 VAL 53 OK 36 92 - 40 - 3.8/11305=21...(6) HD3 PRO 57 + QG1 VAL 53 OK 32 81 - 39 - 3.8/11305=21...(5) Peak 11614 from cnoeabs.peaks (1.64, 4.00, 62.89 ppm; 6.80 A): 4 out of 12 assignments used, quality = 0.93: HB2 LYS 114 + HB3 SER 138 OK 56 72 - 77 - 3.6/3788=10, 3.6/3799=10...(22) HB2 LYS 114 + HB2 SER 138 OK 56 72 - 77 - 3.6/3788=10, 3.6/3799=10...(22) HD3 LYS 93 + HB3 SER 138 OK 41 72 - 57 - ~10345=19, ~10344=12...(10) HD3 LYS 93 + HB2 SER 138 OK 41 72 - 57 - ~10345=19, ~10344=12...(10) HG3 LYS 34 - HB2 SER 138 OK 23 89 - 25 - 1.8/9721=11, ~9721=11, ~9721=1 HG3 LYS 34 - HB3 SER 138 OK 23 89 - 25 - ~9721=11, 1.8/9721=11, ~9721=1 HB2 PRO 57 - HB2 SER 138 OK 15 77 - 20 - 2.3/9721=5, ~9721=5...(4) HB2 PRO 57 - HB3 SER 138 OK 15 77 - 20 - 2.3/9721=5, ~9721=5...(4) HB3 LEU 26 - HB2 SER 138 lone 9 100 - 9 - 10659/9723=1 HB3 LEU 26 - HB3 SER 138 lone 9 100 - 9 - 10659/9723=1 HD2 LYS 24 - HB2 SER 138 lone 6 89 - 7 - HD2 LYS 24 - HB3 SER 138 lone 6 89 - 7 - Peak 11615 from cnoeabs.peaks (4.36, 4.22, 58.90 ppm; 3.69 A): 0 out of 4 assignments used, low quality = 0.00: HA ASP 65 - HA LYS 93 lone 6 100 - 6 - ~11255=2, 8386/10090=1 HA ARG 144 - HA LYS 93 lone 2 98 - 2 - HA3 GLY 77 - HA LYS 93 lone 1 100 - 1 - HB THR 51 - HA LYS 93 lone 1 94 - 1 - Peak 11616 from cnoeabs.peaks (0.90, 4.08, 57.69 ppm; 3.07 A): 5 out of 6 assignments used, quality = 0.88: QG2 VAL 80 + HA LEU 132 OK 66 99 - 67 - 8756/3.8=14, 8748=14...(15) QG1 VAL 53 + HA LEU 132 OK 33 92 - 36 - 1392=6, 9548/2.8=5...(17) QG2 ILE 136 + HA LEU 132 OK 30 62 - 48 - 3.0/10292=8, 9600/4.0=5...(20) QG1 VAL 63 + HA LEU 132 OK 15 89 - 17 - 9548/2.8=3, 9600/4.0=3...(5) QD1 ILE 101 + HA LEU 132 OK 10 77 - 13 - 9617/4.9=2, ~10425=2...(6) QG2 ILE 101 - HA LEU 132 poor 7 62 - 11 - 9617/4.9=1, 9596/3.8=1...(4) Peak 11617 from cnoeabs.peaks (1.57, 3.65, 66.86 ppm; 5.29 A): 6 out of 9 assignments used, quality = 0.65: HB2 LEU 66 + HA THR 92 OK 31 99 - 31 - ~9891=8, ~9857=8...(6) HG2 ARG 109 + HA THR 92 OK 16 99 - 16 - ~9011=3, ~10096=3...(7) HG3 ARG 109 + HA THR 92 OK 13 77 - 17 - ~9011=3, ~10096=3...(7) HD2 LYS 85 + HA THR 92 OK 13 100 - 13 - 2627/4.8=6, 3.6/9016=4 HB2 LEU 126 + HA THR 92 OK 11 100 - 11 - 10680/3.0=4, ~11076=3 HD3 LYS 85 + HA THR 92 OK 11 92 - 12 - 2638/4.8=5, 3.6/9016=4 HG3 ARG 124 - HA THR 92 lone 7 85 - 9 - 3.0/10086=2, ~10083=1, ~10097=1 HG3 ARG 145 - HA THR 92 lone 5 100 - 4 - ~9011=1 HG2 ARG 145 - HA THR 92 lone 5 100 - 4 - ~9011=1 Peak 11618 from cnoeabs.peaks (3.97, 0.32, 10.52 ppm; 5.76 A): 4 out of 6 assignments used, quality = 0.86: HA GLU 75 + QD1 ILE 91 OK 71 94 - 76 - 3.6/8994=29, 8992=25...(10) HA3 GLY 94 + QD1 ILE 91 OK 36 68 - 54 - ~10082=19, ~9048=13...(8) HB3 SER 103 + QD1 ILE 91 OK 12 92 - 13 - 4.6/8996=7, 11723/8542=1...(4) HA PHE 106 + QD1 ILE 91 OK 12 77 - 15 - 8825/11029=5, 4.8/2987=5 HA ALA 60 - QD1 ILE 91 lone 6 68 - 9 - 8825/11029=2, ~6554=1, ~6555=1 HA3 GLY 143 - QD1 ILE 91 lone 6 100 - 6 - Peak 11619 from cnoeabs.peaks (4.05, 0.32, 10.52 ppm; 6.08 A): 3 out of 3 assignments used, quality = 0.84: HA GLN 25 + QD1 ILE 91 OK 65 96 - 67 - 10940/3.3=13, ~10938=9...(17) HA LYS 24 + QD1 ILE 91 OK 43 81 - 52 - ~10883=9, 11320/2.1=8...(10) HD2 PRO 33 + QD1 ILE 91 OK 20 100 - 20 - ~8986=4, ~8986=3...(7) Peak 11621 from cnoeabs.peaks (2.91, 2.06, 58.74 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 35 + HA ARG 35 OK 100 100 - 100 - 4.8=100 HB2 HIS 14 - HA ARG 35 lone 7 72 - 10 - 11054/11164=5, 3.9/11627=2 Peak 11622 from cnoeabs.peaks (3.02, 2.06, 58.74 ppm; 5.06 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 35 + HA ARG 35 OK 100 100 - 100 - 4.8=100 HE2 LYS 36 + HA ARG 35 OK 60 100 - 60 - 728/4.9=14, 6209/3.6=13...(17) HE3 LYS 36 + HA ARG 35 OK 60 100 - 60 - 739/4.9=14, 6210/3.6=13...(17) Peak 11623 from cnoeabs.peaks (3.87, 1.40, 30.17 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.94: HA LYS 36 + HB2 ARG 35 OK 94 100 - 94 - 11235/3.6=48, ~6195=27...(26) Peak 11624 from cnoeabs.peaks (8.15, 1.40, 30.17 ppm; 6.48 A): 2 out of 3 assignments used, quality = 0.70: H SER 138 + HB2 ARG 35 OK 60 98 - 62 - 11625/3.6=27...(6) H THR 107 + HB2 ARG 35 OK 25 100 - 25 - 11625/3.6=12...(3) H HIS 14 - HB2 ARG 35 lone 7 85 - 8 - 11627/3.0=4, 9406/7453=1 Peak 11627 from cnoeabs.peaks (8.15, 2.06, 58.74 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.78: H SER 138 + HA ARG 35 OK 66 100 - 66 - 11624/3.0=26...(8) H THR 107 + HA ARG 35 OK 26 98 - 26 - 11624/3.0=11...(3) H HIS 14 + HA ARG 35 OK 13 94 - 14 - 3.6/8006=4, 11624/3.0=3 Peak 11628 from cnoeabs.peaks (3.82, 1.07, 26.58 ppm; 4.63 A): 3 out of 12 assignments used, quality = 0.92: HA LEU 66 + QD2 LEU 26 OK 75 90 - 83 - 2.8/11443=26...(13) HA LEU 66 + HG2 ARG 35 OK 59 100 - 59 - 3.7/11466=15...(13) HD2 PRO 118 + QD2 LEU 26 OK 21 80 - 26 - ~268=3, ~252=2, ~244=2...(10) HA3 GLY 50 - HG2 ARG 35 OK 20 100 - 20 - ~8192=5, 10656/1.8=5...(5) HA THR 110 - QD2 LEU 26 OK 19 80 - 23 - ~274=3, ~267=2...(11) HA THR 110 - HG2 ARG 35 OK 14 92 - 15 - ~10452=2, ~9290=1, ~9290=1 HA GLN 133 - QD2 LEU 26 OK 13 65 - 20 - 10561/2.1=6...(5) HA3 GLY 50 - QD2 LEU 26 OK 13 92 - 14 - 2.9/10878=2...(4) HA GLN 133 - HG2 ARG 35 poor 8 77 - 10 - 10849/10882=1, 10561/273=1 HD2 PRO 118 - HG2 ARG 35 lone 7 92 - 7 - 10849/10882=1 HB2 SER 100 - QD2 LEU 26 lone 5 73 - 7 - 10561/2.1=1 HB2 SER 100 - HG2 ARG 35 lone 4 85 - 5 - Peak 11629 from cnoeabs.peaks (7.29, 1.07, 26.58 ppm; 4.56 A): 4 out of 6 assignments used, quality = 0.86: H PHE 67 + QD2 LEU 26 OK 67 89 - 76 - 8408/2.1=27...(16) H PHE 67 + HG2 ARG 35 OK 43 99 - 44 - 4.6/11443=9, 8407/1.8=8...(14) HZ2 TRP 17 + QD2 LEU 26 OK 13 91 - 14 - 5526/10556=8...(3) HZ2 TRP 17 + HG2 ARG 35 OK 11 100 - 11 - ~8034=6, ~8040=2 QE PHE 106 - HG2 ARG 35 lone 2 98 - 2 - QE PHE 106 - QD2 LEU 26 lone 2 87 - 2 - Peak 11630 from cnoeabs.peaks (1.89, 1.22, 21.95 ppm; 5.00 A): 3 out of 9 assignments used, quality = 0.90: HB3 GLN 111 + QG2 THR 107 OK 75 99 - 76 - 3.0/9254=25...(12) HB ILE 101 + QG2 THR 107 OK 55 94 - 58 - 2.1/9245=13, 3.2/9245=11...(15) HB3 LEU 69 + QG2 THR 107 OK 13 81 - 16 - ~9241=3, ~9928=2...(4) HB2 LYS 24 - QG2 THR 107 lone 8 96 - 8 - HB3 ARG 141 - QG2 THR 107 lone 6 96 - 6 - 2.8/9252=1 HB3 ARG 140 - QG2 THR 107 lone 6 100 - 6 - HB3 LYS 93 - QG2 THR 107 lone 5 100 - 5 - QE MET 68 - QG2 THR 107 lone 5 72 - 7 - 4.6/11631=1 HB3 ARG 89 - QG2 THR 107 lone 5 96 - 5 - Peak 11631 from cnoeabs.peaks (3.83, 1.22, 21.95 ppm; 4.60 A): 6 out of 9 assignments used, quality = 0.92: HA THR 110 + QG2 THR 107 OK 51 62 - 82 - 3.0/9286=30, ~3452=15...(12) HB2 SER 100 + QG2 THR 107 OK 45 100 - 46 - ~10473=14, ~10352=8...(9) HA ALA 104 + QG2 THR 107 OK 35 77 - 46 - 3453/2.1=14, 3402/4.0=9...(10) HA GLN 133 + QG2 THR 107 OK 30 98 - 31 - 3453/2.1=6, 7247/4.0=4...(9) HA LEU 66 + QG2 THR 107 OK 22 99 - 22 - 4.0/9247=11, 3453/2.1=2...(6) HD2 PRO 118 + QG2 THR 107 OK 15 100 - 15 - 3453/2.1=4, 2.3/10165=3...(4) HA MET 68 - QG2 THR 107 poor 8 68 - 12 - 3453/2.1=2, 7247/4.0=2...(5) HB2 SER 127 - QG2 THR 107 lone 4 62 - 6 - 3453/2.1=1, 7247/4.0=1 HA3 GLY 50 - QG2 THR 107 lone 3 94 - 3 - 3595/9286=1 Peak 11632 from cnoeabs.peaks (2.67, 1.48, 17.84 ppm; 6.10 A): 0 out of 2 assignments used, low quality = 0.32: HB2 PHE 43 - QB ALA 134 OK 32 77 - 41 - ~4573=9, 1.8/9641=7...(10) HB3 ASP 13 - QB ALA 134 lone 5 81 - 6 - 10538/4.0=3 Peak 11633 from cnoeabs.peaks (3.84, 1.48, 17.84 ppm; 4.68 A): 2 out of 8 assignments used, quality = 0.97: HA GLN 133 + QB ALA 134 OK 93 98 - 96 - 2.8/9660=41, 3.6/4575=36...(20) HD2 PRO 118 + QB ALA 134 OK 61 89 - 69 - ~9649=17, 2.3/9638=12...(17) HA ALA 104 - QB ALA 134 OK 41 100 - 41 - 2.1/10156=13, ~10192=9...(9) HA MET 68 - QB ALA 134 OK 24 99 - 24 - 3.0/9637=3, 3.7/9640=3...(8) HB2 SER 100 - QB ALA 134 OK 17 94 - 18 - 9653/4.0=4, 4.5/7191=3...(6) HB2 SER 127 - QB ALA 134 OK 17 98 - 17 - 9653/4.0=4, 9501/9561=2...(6) HA LEU 66 - QB ALA 134 poor 9 68 - 13 - 9653/4.0=3, 7730/3.7=2...(5) HA LEU 72 - QB ALA 134 lone 6 81 - 8 - ~9650=2, 11634/2.1=1 Peak 11634 from cnoeabs.peaks (3.84, 4.21, 54.36 ppm; 5.06 A): 3 out of 7 assignments used, quality = 0.97: HA GLN 133 + HA ALA 134 OK 89 89 - 100 - 4.9=100 HD2 PRO 118 + HA ALA 134 OK 53 72 - 74 - 2.3/9649=28, 7715/2.8=11...(15) HA ALA 104 + HA ALA 134 OK 48 100 - 49 - ~10192=11, ~10156=10...(12) HA MET 68 - HA ALA 134 OK 21 100 - 21 - 11633/2.1=4, ~9637=3...(7) HB2 SER 100 - HA ALA 134 OK 15 81 - 19 - 4.5/7187=5, 11633/2.1=3...(7) HB2 SER 127 - HA ALA 134 OK 13 100 - 13 - 11633/2.1=3, 7730/3.6=2...(5) HA LEU 72 - HA ALA 134 lone 9 94 - 9 - 3.0/9650=2 Peak 11635 from cnoeabs.peaks (0.41, 0.85, 16.44 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 132 + QG2 ILE 83 OK 81 85 - 95 - 10018/3.1=44, ~10004=17...(35) QG2 VAL 82 + QG2 ILE 83 OK 67 68 - 100 - 2.1/9989=50, ~9988=42...(37) HG3 LYS 123 + QG2 ILE 83 OK 19 57 - 33 - 9999/3.1=7, ~10014=4...(11) Peak 11636 from cnoeabs.peaks (1.60, 3.93, 45.14 ppm; 4.65 A): 6 out of 11 assignments used, quality = 0.90: HG2 ARG 144 + HA2 GLY 143 OK 64 100 - 65 - 4901/3.5=23...(9) HG3 LYS 48 + HA2 GLY 143 OK 28 100 - 28 - 1184/1.8=4, 2.9/11638=4...(11) HG2 ARG 141 + HA2 GLY 143 OK 24 96 - 25 - 3.8/10502=5, 4901/3.5=5...(8) HB2 LEU 79 + HA2 GLY 143 OK 24 98 - 24 - 4.1/10515=23 HG3 LYS 36 + HA2 GLY 143 OK 20 94 - 21 - 3.0/11639=3, 3.0/11638=3...(8) HG3 ARG 49 + HA2 GLY 143 OK 19 68 - 28 - 3.0/9824=9, 3.9/8198=9...(7) HB2 LEU 97 - HA2 GLY 143 lone 9 98 - 10 - 1.8/10106=2, 9753/3.0=2 HG LEU 108 - HA2 GLY 143 lone 7 94 - 7 - ~9258=2 HB2 LEU 87 - HA2 GLY 143 lone 3 62 - 5 - 4.0/6991=1 HD2 LYS 61 - HA2 GLY 143 lone 2 94 - 3 - HD3 LYS 61 - HA2 GLY 143 lone 2 94 - 3 - Peak 11637 from cnoeabs.peaks (1.72, 3.93, 45.14 ppm; 5.53 A): 3 out of 7 assignments used, quality = 0.75: HB3 ARG 144 + HA2 GLY 143 OK 61 77 - 79 - 3.0/10381=35...(9) HB3 ARG 109 + HA2 GLY 143 OK 25 99 - 25 - 2.8/10745=5, 3.0/9276=5...(6) HD2 LYS 36 + HA2 GLY 143 OK 13 68 - 20 - 3.6/11639=5, 2.9/11636=4...(5) HB3 GLU 81 - HA2 GLY 143 lone 6 89 - 7 - 7879/3.5=2, 4877/10381=1 HB3 LEU 95 - HA2 GLY 143 lone 6 62 - 9 - ~9754=4, ~9066=2 HG LEU 66 - HA2 GLY 143 lone 4 96 - 4 - HG3 ARG 89 - HA2 GLY 143 lone 3 94 - 3 - Peak 11638 from cnoeabs.peaks (1.88, 3.93, 45.14 ppm; 5.89 A): 5 out of 7 assignments used, quality = 0.96: HB2 ARG 144 + HA2 GLY 143 OK 78 92 - 84 - 3.0/10381=37...(10) HB3 LYS 48 + HA2 GLY 143 OK 37 98 - 38 - 2.9/11636=6, 9755/1.8=5...(13) HB3 ARG 141 + HA2 GLY 143 OK 36 92 - 39 - 3.0/10502=8, ~7865=7...(9) HB2 LYS 48 + HA2 GLY 143 OK 31 81 - 38 - 2.9/11636=6, 7878/3.5=5...(13) HB2 LYS 36 + HA2 GLY 143 OK 30 94 - 32 - 1.8/11639=7, 3.0/11636=4...(8) HB3 LYS 93 - HA2 GLY 143 lone 8 81 - 9 - ~9752=4 HB3 ARG 140 - HA2 GLY 143 lone 4 77 - 6 - ~9754=1 Peak 11639 from cnoeabs.peaks (2.10, 3.93, 45.14 ppm; 5.88 A): 2 out of 8 assignments used, quality = 0.93: HB3 GLU 142 + HA2 GLY 143 OK 90 100 - 90 - 3.0/10518=36...(8) HB3 LYS 36 + HA2 GLY 143 OK 33 98 - 34 - 1.8/11638=6, 7867/3.0=5...(9) HB2 GLU 131 - HA2 GLY 143 OK 24 89 - 27 - 7867/3.0=7, ~7869=5...(9) HB3 GLN 25 - HA2 GLY 143 OK 19 100 - 19 - 10928/3.0=4, ~10927=3...(5) HG2 PRO 33 - HA2 GLY 143 OK 18 99 - 18 - 7867/3.0=4, ~8083=3...(6) HG3 PRO 33 - HA2 GLY 143 OK 17 94 - 18 - 7867/3.0=3, ~7867=3...(4) HB VAL 53 - HA2 GLY 143 lone 5 100 - 5 - 3.0/9840=2 HG2 PRO 118 - HA2 GLY 143 lone 4 89 - 4 - Peak 11640 from cnoeabs.peaks (6.75, 0.24, 22.24 ppm; 4.10 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11641 from cnoeabs.peaks (6.26, 0.24, 22.24 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.67: QE PHE 38 + QG2 VAL 71 OK 59 72 - 81 - 2.2/8525=46, ~8528=29...(8) QE TYR 119 + QG2 VAL 71 OK 20 68 - 29 - 9400/11092=20, 9396/10699=10 Peak 11642 from cnoeabs.peaks (2.75, 2.00, 28.78 ppm; 4.14 A): 2 out of 9 assignments used, quality = 0.96: HG3 MET 113 + HB3 GLU 90 OK 93 98 - 95 - 1.8/2929=15, 3718/3.0=14...(46) HE2 LYS 76 + HB3 GLU 90 OK 44 99 - 45 - 10073/3.0=11, ~10073=10...(10) HE3 LYS 76 - HB3 GLU 90 OK 40 92 - 44 - 10073/3.0=12, ~10073=9...(10) HE2 LYS 114 - HB3 GLU 90 OK 11 98 - 11 - 10073/3.0=4, 10211=1...(4) HB3 ASP 40 - HB3 GLU 90 lone 4 100 - 4 - HB2 ASN 54 - HB3 GLU 90 lone 3 99 - 3 - 10446/1.8=1 HB3 ASP 137 - HB3 GLU 90 lone 3 92 - 3 - HB3 PHE 43 - HB3 GLU 90 lone 2 92 - 2 - HB2 ASN 96 - HB3 GLU 90 lone 1 57 - 2 - Peak 11643 from cnoeabs.peaks (7.94, 2.29, 33.54 ppm; 6.03 A): 2 out of 2 assignments used, quality = 0.59: H ASN 139 + HG2 GLN 62 OK 37 72 - 52 - 11398/4.9=24, ~1757=5...(14) H ASN 139 + HG3 GLN 62 OK 35 68 - 52 - 11398/4.9=24, ~1757=5...(14) Peak 11644 from cnoeabs.peaks (8.30, 2.09, 30.00 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.75: H ASN 128 + HB2 GLU 131 OK 65 92 - 71 - 9498/1.8=20, 9500=16...(18) H VAL 71 + HB2 GLU 131 OK 19 100 - 19 - 10394/1.8=5, 10396/2.9=4...(5) H LEU 64 + HB2 GLU 131 OK 12 94 - 13 - 4.4/10291=4, 10394/1.8=3...(4) H THR 18 - HB2 GLU 131 lone 9 98 - 9 - 10394/1.8=3, 10396/2.9=2...(4) Peak 11646 from cnoeabs.peaks (4.26, 3.12, 43.40 ppm; 4.43 A): 0 out of 24 assignments used, low quality = 0.40: HA LEU 95 - HD2 ARG 145 OK 14 94 - 15 - 3.6/7132=3, 3121/3.4=1 HA LEU 95 - HD3 ARG 145 OK 14 94 - 15 - 3.6/7132=3, 3121/3.4=1 HA2 GLY 50 - HD3 ARG 145 OK 10 100 - 10 - 1.8/10742=2, 1304/6.0=2...(4) HA2 GLY 50 - HD2 ARG 145 OK 10 100 - 10 - 1.8/10742=3, 1304/6.0=2...(4) HA LEU 95 - HD2 ARG 109 poor 8 72 - 11 - 9061/10035=2, 3.6/7132=2...(4) HB THR 99 - HD3 ARG 145 lone 7 100 - 7 - HB THR 99 - HD2 ARG 145 lone 7 100 - 7 - HA ARG 49 - HD2 ARG 109 lone 5 69 - 7 - 1242/3.6=3 HA ARG 140 - HD2 ARG 145 lone 4 77 - 5 - HA ARG 140 - HD3 ARG 145 lone 4 77 - 5 - HA2 GLY 50 - HD2 ARG 109 lone 3 80 - 4 - HA ALA 135 - HD2 ARG 109 lone 3 79 - 4 - 10014/10007=1 HA ARG 49 - HD2 ARG 145 lone 3 92 - 3 - HA ARG 49 - HD3 ARG 145 lone 2 91 - 3 - HA3 GLY 78 - HD2 ARG 109 lone 2 44 - 6 - 3.6/6846=3, 8712/8570=1 HB THR 99 - HD2 ARG 109 lone 2 81 - 3 - HA SER 138 - HD3 ARG 145 lone 2 100 - 2 - HA SER 138 - HD2 ARG 145 lone 2 100 - 2 - HA SER 138 - HD2 ARG 109 lone 2 81 - 3 - HA ALA 135 - HD3 ARG 145 lone 2 99 - 2 - HA ALA 135 - HD2 ARG 145 lone 2 100 - 2 - HA ARG 140 - HD2 ARG 109 lone 2 55 - 3 - 10329/10335=1 HA3 GLY 78 - HD3 ARG 145 lone 2 62 - 3 - HA3 GLY 78 - HD2 ARG 145 lone 2 62 - 3 - Peak 11647 from cnoeabs.peaks (6.84, 2.83, 39.70 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 3.5=100 HD22 ASN 54 + HB2 ASP 40 OK 46 70 - 66 - 11654=14, 11656/1.8=13...(23) HZ2 TRP 88 - HB2 ASP 40 lone 3 40 - 8 - 5.0/10817=7 HZ2 TRP 88 - HB3 ASN 54 lone 2 68 - 3 - Peak 11648 from cnoeabs.peaks (6.84, 2.75, 39.70 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 3.5=100 HD22 ASN 54 + HB3 ASP 40 OK 46 70 - 66 - 11656=16, 11654/1.8=14...(24) HZ2 TRP 88 - HB2 ASN 54 lone 3 68 - 4 - HZ2 TRP 88 - HB3 ASP 40 lone 1 40 - 3 - Peak 11662 from cnoeabs.peaks (7.84, 2.83, 39.70 ppm; 5.15 A): 1 out of 8 assignments used, quality = 0.99: H ARG 55 + HB3 ASN 54 OK 99 99 - 100 - 4.5=100 H ARG 55 - HB2 ASP 40 OK 16 67 - 24 - 3.6/10623=9, 4.5/10444=6...(4) H TRP 17 - HB3 ASN 54 lone 9 100 - 8 - 11663/1.8=3, 6046/3.0=2 H TRP 17 - HB2 ASP 40 lone 2 69 - 2 - H LEU 26 - HB3 ASN 54 lone 1 89 - 2 - H THR 110 - HB2 ASP 40 lone 1 43 - 3 - H THR 110 - HB3 ASN 54 lone 1 72 - 1 - H LEU 26 - HB2 ASP 40 lone 1 56 - 2 - Peak 11663 from cnoeabs.peaks (7.84, 2.75, 39.70 ppm; 4.62 A): 1 out of 10 assignments used, quality = 1.00: H ARG 55 + HB2 ASN 54 OK 100 100 - 100 - 4.5=100 H ARG 55 - HB3 ASP 40 OK 14 69 - 20 - 3.6/10622=8, 10621=6...(4) H TRP 17 - HB2 ASN 54 lone 9 99 - 9 - 11662/1.8=2, 6046/3.0=2 H ALA 135 - HB2 ASN 54 lone 4 85 - 5 - 3.1/9652=1 H ALA 135 - HB3 ASP 40 lone 4 53 - 7 - 3.1/9652=2 H TRP 17 - HB3 ASP 40 lone 2 67 - 3 - H TYR 119 - HB2 ASN 54 lone 2 72 - 2 - H LEU 26 - HB2 ASN 54 lone 1 62 - 1 - H LEU 26 - HB3 ASP 40 lone 1 37 - 2 - H TYR 119 - HB3 ASP 40 lone 1 43 - 1 - Peak 11664 from cnoeabs.peaks (1.88, 2.33, 28.08 ppm; 4.60 A): 4 out of 8 assignments used, quality = 0.84: HB3 LYS 48 + HB3 GLN 47 OK 58 100 - 58 - 3.8/6437=28, 10970/2.9=9...(13) HB2 LYS 48 + HB3 GLN 47 OK 52 92 - 57 - 3.8/6437=28, 10970/2.9=6...(13) HB2 LYS 36 + HB3 GLN 47 OK 12 99 - 12 - 10970/2.9=3, 6444/4.7=2...(5) HB3 ARG 140 + HB3 GLN 47 OK 11 62 - 18 - 10473/2.9=5, 10474/1.8=4...(4) HB3 ARG 141 - HB3 GLN 47 lone 7 81 - 8 - 6444/4.7=1, 10474/1.8=1 HB2 ARG 144 - HB3 GLN 47 lone 4 98 - 4 - 6444/4.7=2 HB3 LYS 93 - HB3 GLN 47 lone 3 68 - 5 - 6444/4.7=1 HB3 LYS 85 - HB3 GLN 47 lone 1 62 - 2 - 6443/4.7=1 Peak 11665 from cnoeabs.peaks (2.80, 2.14, 26.03 ppm; 4.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11666 from cnoeabs.peaks (2.80, 1.98, 26.03 ppm; 4.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11667 from cnoeabs.peaks (3.57, 2.14, 26.03 ppm; 5.22 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11668 from cnoeabs.peaks (3.57, 1.99, 26.03 ppm; 5.31 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11669 from cnoeabs.peaks (1.98, 2.14, 26.03 ppm; 3.27 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11670 from cnoeabs.peaks (2.14, 1.98, 26.03 ppm; 3.31 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11700 from cnoeabs.peaks (8.40, 4.00, 60.14 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.78: H TYR 117 + HA MET 113 OK 68 100 - 68 - 3.9/10257=21...(9) H GLU 75 + HA MET 113 OK 33 85 - 38 - 8622/3.6=17, 10184/4.9=7...(8) H SER 103 - HA MET 113 lone 4 100 - 4 - 9312/3.6=1 H GLY 31 - HA MET 113 lone 3 100 - 3 - Peak 11701 from cnoeabs.peaks (3.44, 4.06, 49.98 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.96: HB2 TYR 117 + HD3 PRO 118 OK 96 96 - 100 - 4.5=100 HA LEU 42 - HD3 PRO 118 OK 32 100 - 32 - 919/11048=11...(7) Peak 11702 from cnoeabs.peaks (3.62, 3.83, 49.98 ppm; 5.08 A): 0 out of 2 assignments used, low quality = 0.00: HA LYS 61 - HD2 PRO 118 lone 9 100 - 9 - 1652/2.3=2, 3.0/3927=1 HA ARG 109 - HD2 PRO 118 lone 7 98 - 7 - 5.2/11127=2 Peak 11703 from cnoeabs.peaks (3.45, 3.83, 49.98 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.97: HB2 TYR 117 + HD2 PRO 118 OK 94 100 - 94 - 4.5=94, ~9426=3, ~4751=2 HB3 PHE 45 + HD2 PRO 118 OK 39 72 - 54 - 11047=33, 11048/1.8=20...(6) HA LEU 42 - HD2 PRO 118 OK 28 100 - 28 - 919/11047=10...(6) Peak 11704 from cnoeabs.peaks (4.76, 3.83, 49.98 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.92: HA TYR 117 + HD2 PRO 118 OK 92 92 - 100 - 3.8=100 Peak 11705 from cnoeabs.peaks (0.88, 4.06, 49.98 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.94: QG2 ILE 136 + HD3 PRO 118 OK 91 100 - 91 - 3.0/9667=21...(38) QG2 VAL 80 + HD3 PRO 118 OK 34 77 - 44 - 9955/4.6=14, 3.2/8746=8...(11) HB3 LEU 42 - HD3 PRO 118 OK 26 72 - 36 - 3.0/11701=12, ~11703=8...(9) QD1 ILE 101 - HD3 PRO 118 OK 26 99 - 26 - 10541/4.8=3, 4638/9667=2...(11) QG2 ILE 101 - HD3 PRO 118 OK 23 100 - 23 - 4638/9667=2, ~9168=2...(8) QD1 LEU 97 - HD3 PRO 118 OK 15 100 - 15 - 8339/11706=5, 4638/9667=1 Peak 11706 from cnoeabs.peaks (6.85, 4.06, 49.98 ppm; 5.63 A): 0 out of 2 assignments used, low quality = 0.00: HE21 GLN 62 - HD3 PRO 118 lone 7 85 - 8 - ~6603=3, 6595/3.0=3 HD22 ASN 54 - HD3 PRO 118 lone 2 89 - 3 - Peak 11707 from cnoeabs.peaks (8.41, 3.83, 49.98 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.96: H TYR 117 + HD2 PRO 118 OK 96 96 - 100 - 4.8=100 H GLU 75 - HD2 PRO 118 OK 21 98 - 21 - 3908/4.5=3, 3.9/2208=3...(7) H SER 103 - HD2 PRO 118 lone 6 92 - 7 - 3914/4.5=1, 3908/4.5=1 H GLY 31 - HD2 PRO 118 lone 4 96 - 4 - Peak 11708 from cnoeabs.peaks (8.38, 4.06, 49.98 ppm; 6.19 A): 0 out of 1 assignment used, low quality = 0.29: H LEU 116 - HD3 PRO 118 OK 29 100 - 29 - 9380/4.5=13...(5) Peak 11709 from cnoeabs.peaks (8.29, 1.64, 41.95 ppm; 6.29 A): 2 out of 4 assignments used, quality = 0.45: H LEU 64 + HB3 LEU 26 OK 37 100 - 37 - 4.3/8352=14, 10895/3.9=9...(5) H VAL 71 + HB3 LEU 26 OK 13 94 - 13 - 10897/3.1=2...(5) H ASN 128 - HB3 LEU 26 lone 5 62 - 7 - 9523/9948=1, ~9505=1, ~9505=1 H THR 18 - HB3 LEU 26 lone 4 77 - 5 - Peak 11710 from cnoeabs.peaks (8.65, 3.34, 49.96 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: H ILE 56 + HD3 PRO 57 OK 98 98 - 100 - 4.7=100 H ILE 56 + HD2 PRO 57 OK 95 95 - 100 - 4.7=100 Peak 11713 from cnoeabs.peaks (6.92, 4.55, 55.40 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.94: H LEU 29 + HA GLU 28 OK 94 94 - 100 - 3.6=100 QD TYR 112 - HA GLU 28 lone 2 77 - 2 - Peak 11715 from cnoeabs.peaks (0.33, 4.15, 54.47 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 91 + HA LYS 76 OK 86 100 - 86 - 8994/3.0=29...(17) HG2 LYS 123 + HA LYS 76 OK 62 68 - 92 - 8650/3.0=21, 8658/4.1=19...(33) Peak 11716 from cnoeabs.peaks (0.33, 1.86, 31.92 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 91 + HB3 LYS 76 OK 87 100 - 88 - 8663/3.5=25, 8666/3.5=24...(21) HG2 LYS 123 + HB3 LYS 76 OK 64 68 - 94 - 8658/3.0=20, 8663/3.5=20...(43) Peak 11717 from cnoeabs.peaks (0.41, 1.53, 24.82 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.96: QG2 VAL 82 + HG3 LYS 76 OK 93 94 - 98 - 11055/1.8=45...(24) QG2 VAL 82 + HG2 LYS 93 OK 40 77 - 52 - 11568=5, ~3056=5...(21) Peak 11718 from cnoeabs.peaks (0.41, 1.34, 27.80 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 82 + HD3 LYS 76 OK 85 94 - 91 - 11055/3.0=30...(15) Peak 11719 from cnoeabs.peaks (0.73, 2.76, 41.80 ppm; 3.68 A): 3 out of 3 assignments used, quality = 0.69: QD2 LEU 108 + HE2 LYS 76 OK 40 100 - 40 - 8660/3.9=13, 8654/5.1=13...(8) QD2 LEU 108 + HE3 LYS 76 OK 39 95 - 41 - 8660/3.9=13, 8654/5.1=13...(8) QD2 LEU 108 + HE2 LYS 114 OK 15 90 - 17 - 10175/3.7=6...(5) Peak 11720 from cnoeabs.peaks (0.33, 2.76, 41.80 ppm; 3.98 A): 5 out of 6 assignments used, quality = 0.99: QD1 ILE 91 + HE2 LYS 76 OK 70 96 - 72 - 8663/3.0=16, 8666/3.0=15...(21) QD1 ILE 91 + HE3 LYS 76 OK 65 90 - 72 - 8663/3.0=16, 8666/3.0=15...(21) QD1 ILE 91 + HE2 LYS 114 OK 60 84 - 71 - 8983=9, ~3825=9...(22) HG2 LYS 123 + HE2 LYS 76 OK 55 81 - 67 - 8663/3.0=15, 8666/3.0=14...(21) HG2 LYS 123 + HE3 LYS 76 OK 50 74 - 67 - 8663/3.0=15, 8666/3.0=14...(21) HG2 LYS 123 - HE2 LYS 114 poor 7 68 - 11 - 4132/4.9=2 Peak 11721 from cnoeabs.peaks (6.78, 2.76, 41.80 ppm; 5.59 A): 3 out of 9 assignments used, quality = 0.97: H LYS 76 + HE2 LYS 76 OK 80 81 - 98 - 7.4=42, 6817/3.0=23...(30) H LYS 76 + HE3 LYS 76 OK 73 74 - 98 - 7.4=42, 6817/3.0=23...(29) QE TYR 112 + HE2 LYS 76 OK 42 100 - 42 - 2295/3.0=8, 2306/3.0=8...(9) QE TYR 112 - HE3 LYS 76 OK 40 94 - 43 - 2295/3.0=8, 2306/3.0=8...(9) H LYS 76 - HE2 LYS 114 OK 18 68 - 27 - 3.0/2247=4, 6.1/2304=4...(9) QE TYR 112 - HE2 LYS 114 lone 7 89 - 8 - 9401/11093=2, 11559/8725=2 HZ3 TRP 17 - HE2 LYS 76 lone 4 94 - 4 - 5.9/11250=2, 11403/11058=1 HZ3 TRP 17 - HE3 LYS 76 lone 4 87 - 4 - 5.9/11250=2, 11403/11058=1 HZ3 TRP 17 - HE2 LYS 114 lone 3 81 - 3 - 5.9/11250=2 Peak 11723 from cnoeabs.peaks (3.97, 0.76, 22.25 ppm; 3.27 A): 2 out of 7 assignments used, quality = 0.72: HA GLU 75 + QD2 LEU 72 OK 49 89 - 56 - 9958=14, 9258/2.1=9...(20) HA3 GLY 94 + QD2 LEU 72 OK 45 77 - 58 - 3.0/8546=13, 1.8/9053=11...(11) HA PHE 106 - QD2 LEU 72 lone 7 85 - 8 - 3.0/10213=2, ~10213=2 HB3 SER 103 - QD2 LEU 72 lone 6 96 - 6 - 4.6/2148=4 HA3 GLY 143 - QD2 LEU 72 lone 3 99 - 3 - ~10227=1 HA ALA 60 - QD2 LEU 72 lone 3 77 - 4 - 8310/9053=1 HA LYS 48 - QD2 LEU 72 lone 2 62 - 2 - Peak 11724 from cnoeabs.peaks (0.88, 3.14, 57.29 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.90: QG2 ILE 136 + HA LEU 39 OK 73 100 - 73 - 2.3/818=13, 10338/3.0=12...(16) QG2 VAL 80 + HA LEU 39 OK 58 89 - 65 - 11063=17, 11064/3.8=15...(14) QD1 LEU 97 + HA LEU 39 OK 12 99 - 12 - 11064/3.8=4, 11063=2 QD1 ILE 101 - HA LEU 39 lone 9 100 - 9 - 10542/6918=1...(3) QG2 ILE 101 - HA LEU 39 lone 8 100 - 8 - 11064/3.8=1...(4) Peak 11725 from cnoeabs.peaks (0.67, -0.23, 40.39 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: QD2 LEU 66 + HB2 LEU 42 OK 89 100 - 89 - 8405/3.1=50, ~9893=32...(13) HB3 LEU 116 + HB2 LEU 42 OK 87 89 - 98 - ~9392=41, ~9391=33...(19) QD1 ILE 83 + HB2 LEU 42 OK 84 98 - 86 - ~10016=15, 11065=13...(26) QD2 LEU 39 + HB2 LEU 42 OK 78 100 - 78 - 8122/3.1=50, 3.9/825=34...(8) Peak 4501 from cnoeabs.peaks (4.52, 6.90, 119.39 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.85: * HA HIS 14 + HD2 HIS 14 OK 82 99 - 83 - 4.7=59, 3.0/133=36, 3.0/139=34 HA TYR 115 + HD2 HIS 14 OK 17 94 - 18 - 136/4.0=5, 130/4.0=5...(5) Peak 4502 from cnoeabs.peaks (2.90, 6.90, 119.39 ppm; 3.39 A): 0 out of 3 assignments used, low quality = 0.00: HB2 TYR 119 - HD2 HIS 14 lone 7 89 - 8 - 3.9/4768=8 HB3 ASP 32 - HD2 HIS 14 lone 0 64 - 1 - HD2 ARG 35 - HD2 HIS 14 lone 0 89 - 0 - Reference assignment not found: HB2 HIS 14 - HD2 HIS 14 Peak 4503 from cnoeabs.peaks (2.97, 6.90, 119.39 ppm; 3.29 A): 0 out of 4 assignments used, low quality = 0.00: HB3 TYR 27 - HD2 HIS 14 lone 5 99 - 6 - 2.6/11206=1, 137/4.0=1 HB2 ASP 30 - HD2 HIS 14 lone 2 86 - 2 - HA VAL 71 - HD2 HIS 14 lone 2 98 - 2 - HA VAL 82 - HD2 HIS 14 lone 0 69 - 0 - Reference assignment not found: HB3 HIS 14 - HD2 HIS 14 Peak 4504 from cnoeabs.peaks (6.90, 6.90, 119.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD2 HIS 14 + HD2 HIS 14 OK 99 99 - 100 Peak 4508 from cnoeabs.peaks (4.81, 7.06, 125.96 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.99: * HA TRP 17 + HD1 TRP 17 OK 99 99 - 100 - 4.6=100 HA ASN 54 - HD1 TRP 17 lone 5 71 - 7 - ~11250=3, 175/3.9=1...(4) Peak 4511 from cnoeabs.peaks (7.06, 7.06, 125.96 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 17 + HD1 TRP 17 OK 99 99 - 100 Peak 4517 from cnoeabs.peaks (7.22, 7.22, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 17 + HE3 TRP 17 OK 100 100 - 100 Peak 4518 from cnoeabs.peaks (6.77, 7.22, 119.63 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 17 + HE3 TRP 17 OK 100 100 - 100 - 2.5=100 QE TYR 112 - HE3 TRP 17 lone 1 85 - 2 - Peak 4521 from cnoeabs.peaks (7.06, 6.77, 121.48 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.77: QE PHE 67 + HZ3 TRP 17 OK 58 100 - 58 - 5526/4.3=16...(11) * HD1 TRP 17 + HZ3 TRP 17 OK 46 100 - 46 - 6.6=32, 5526/4.3=15, 6049/8.1=5 H MET 68 - HZ3 TRP 17 lone 6 68 - 8 - 3.6/4778=4, 4526/4.3=3 Peak 4522 from cnoeabs.peaks (7.22, 6.77, 121.48 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HE3 TRP 17 + HZ3 TRP 17 OK 100 100 - 100 - 2.5=100 H GLU 37 - HZ3 TRP 17 OK 25 100 - 25 - 3.6/10779=21...(3) QD PHE 45 - HZ3 TRP 17 OK 24 99 - 24 - ~5588=3, 11068/2.4=3...(11) Peak 4523 from cnoeabs.peaks (6.77, 6.77, 121.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 17 + HZ3 TRP 17 OK 100 100 - 100 Peak 4525 from cnoeabs.peaks (7.00, 6.77, 121.48 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HH2 TRP 17 + HZ3 TRP 17 OK 100 100 - 100 - 2.4=100 HZ PHE 67 - HZ3 TRP 17 OK 33 100 - 33 - 2.2/5521=14, 4530/4.3=5...(6) HZ PHE 45 - HZ3 TRP 17 OK 11 77 - 14 - 3.8/4522=3, ~5588=2...(7) QE PHE 43 - HZ3 TRP 17 lone 10 100 - 10 - 11221/8130=1, ~5533=1...(5) HD22 ASN 130 - HZ3 TRP 17 lone 2 99 - 2 - HD22 ASN 128 - HZ3 TRP 17 lone 1 99 - 1 - Peak 4526 from cnoeabs.peaks (7.06, 7.28, 114.28 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.76: * HD1 TRP 17 + HZ2 TRP 17 OK 48 100 - 49 - 5.0=43, 5521/4.3=7, 6049/8.8=2 QE PHE 67 + HZ2 TRP 17 OK 48 100 - 48 - 5521/4.3=9, 2.2/4530=9...(12) H MET 68 + HZ2 TRP 17 OK 10 67 - 16 - 3.6/1922=3, 4.4/1933=3...(6) Peak 4528 from cnoeabs.peaks (6.77, 7.28, 114.28 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 - 4.3=100 QE TYR 112 - HZ2 TRP 17 lone 2 85 - 2 - Peak 4529 from cnoeabs.peaks (7.28, 7.28, 114.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 Peak 4530 from cnoeabs.peaks (7.00, 7.28, 114.28 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: * HH2 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 - 2.5=100 HZ PHE 67 - HZ2 TRP 17 OK 34 100 - 34 - 2.2/5526=16, ~5600=4...(8) QE PHE 43 - HZ2 TRP 17 lone 8 100 - 8 - 5602/5526=1, 5525/4.3=1 HZ PHE 45 - HZ2 TRP 17 lone 5 77 - 7 - ~5588=2, ~4588=1, 5525/4.3=1 HD22 ASN 130 - HZ2 TRP 17 lone 1 99 - 1 - HD22 ASN 128 - HZ2 TRP 17 lone 1 99 - 1 - Peak 4533 from cnoeabs.peaks (6.77, 7.00, 124.28 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 2.4=100 QE TYR 112 - HH2 TRP 17 lone 1 85 - 1 - Peak 4534 from cnoeabs.peaks (7.28, 7.00, 124.28 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 2.5=100 H PHE 67 - HH2 TRP 17 OK 12 94 - 13 - 4.3/5597=4, 6.1/4600=2...(5) QE PHE 106 - HH2 TRP 17 lone 8 100 - 8 - 4778/2.4=1, ~5649=1 Peak 4535 from cnoeabs.peaks (7.00, 7.00, 124.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 17 + HH2 TRP 17 OK 100 100 - 100 Peak 4540 from cnoeabs.peaks (6.94, 6.94, 131.64 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 23 + QD PHE 23 OK 99 99 - 100 Peak 4541 from cnoeabs.peaks (6.61, 6.94, 131.64 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.98: * QE PHE 23 + QD PHE 23 OK 98 98 - 100 - 2.2=100 Peak 4542 from cnoeabs.peaks (6.88, 6.94, 131.64 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.71: * HZ PHE 23 + QD PHE 23 OK 71 99 - 72 - 3.8=71, 10840/10841=2 HE21 GLN 25 - QD PHE 23 lone 2 80 - 3 - 11200/10605=1 HE21 GLN 111 - QD PHE 23 lone 2 99 - 2 - HE22 GLN 47 - QD PHE 23 lone 1 99 - 1 - HD2 HIS 14 - QD PHE 23 lone 1 61 - 1 - Peak 4543 from cnoeabs.peaks (6.94, 6.61, 130.73 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.95: * QD PHE 23 + QE PHE 23 OK 95 95 - 100 - 2.2=100 QD TYR 112 - QE PHE 23 OK 21 80 - 26 - ~3669=5, ~4656=5...(7) HD21 ASN 139 - QE PHE 23 lone 1 77 - 2 - Peak 4544 from cnoeabs.peaks (6.61, 6.61, 130.73 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: * QE PHE 23 + QE PHE 23 OK 92 92 - 100 Peak 4545 from cnoeabs.peaks (6.88, 6.61, 130.73 ppm; 4.96 A): 1 out of 5 assignments used, quality = 0.94: * HZ PHE 23 + QE PHE 23 OK 94 94 - 100 - 2.2=100 HE21 GLN 25 - QE PHE 23 lone 3 73 - 4 - 4542/2.2=1 HE21 GLN 111 - QE PHE 23 lone 2 93 - 3 - 4542/2.2=1 HE22 GLN 47 - QE PHE 23 lone 2 93 - 2 - HD2 HIS 14 - QE PHE 23 lone 1 55 - 2 - 5542/2.2=1 Peak 4546 from cnoeabs.peaks (6.94, 6.88, 129.56 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.98: * QD PHE 23 + HZ PHE 23 OK 98 98 - 100 - 3.8=100 QD TYR 112 - HZ PHE 23 lone 6 85 - 7 - 5543/2.2=6 HD21 ASN 139 - HZ PHE 23 lone 1 82 - 1 - Peak 4547 from cnoeabs.peaks (6.61, 6.88, 129.56 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.96: * QE PHE 23 + HZ PHE 23 OK 96 96 - 100 - 2.2=100 Peak 4548 from cnoeabs.peaks (6.88, 6.88, 129.56 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ PHE 23 + HZ PHE 23 OK 98 98 - 100 Peak 4550 from cnoeabs.peaks (3.06, 7.20, 132.95 ppm; 6.52 A): 3 out of 8 assignments used, quality = 1.00: * HB2 TYR 27 + QD TYR 27 OK 97 97 - 100 - 2.6=100 HB3 TRP 88 + QD TYR 27 OK 62 87 - 72 - 1.8/11013=27, 11014=26...(13) HB3 ASP 30 + QD TYR 27 OK 60 87 - 70 - ~293=13, 1.8/4551=11...(14) HE3 LYS 34 - QD TYR 27 OK 44 97 - 46 - 3.7/11170=18, 6096/4.6=5...(11) HE2 LYS 34 - QD TYR 27 OK 43 94 - 46 - 3.7/11170=18, 6096/4.6=5...(11) HE3 LYS 86 - QD TYR 27 OK 38 95 - 40 - 285/3.7=6, 299/2.6=5...(17) HE2 LYS 86 - QD TYR 27 OK 37 94 - 40 - 285/3.7=5, 299/2.6=5...(17) HB2 HIS 10 - QD TYR 27 lone 4 87 - 5 - Peak 4551 from cnoeabs.peaks (2.97, 7.20, 132.95 ppm; 5.91 A): 3 out of 4 assignments used, quality = 0.99: * HB3 TYR 27 + QD TYR 27 OK 97 97 - 100 - 2.6=100 HB2 ASP 30 + QD TYR 27 OK 56 84 - 67 - 293/2.6=14, 286/3.7=11...(14) HA VAL 71 + QD TYR 27 OK 52 96 - 54 - ~4812=11, 286/3.7=7...(15) HA VAL 82 - QD TYR 27 OK 27 67 - 40 - 3.2/10000=10...(12) Peak 4552 from cnoeabs.peaks (7.20, 7.20, 132.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD TYR 27 + QD TYR 27 OK 97 97 - 100 Peak 4553 from cnoeabs.peaks (6.68, 7.20, 132.95 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.90: * QE TYR 27 + QD TYR 27 OK 90 90 - 100 - 2.2=100 Peak 4554 from cnoeabs.peaks (7.20, 6.68, 118.75 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.88: * QD TYR 27 + QE TYR 27 OK 80 80 - 100 - 2.2=100 H LYS 36 + QE TYR 27 OK 39 59 - 67 - 2.8/4789=23...(14) HE3 TRP 88 - QE TYR 27 poor 8 80 - 10 - 294/4.5=2, 301/4.5=2...(5) Peak 4555 from cnoeabs.peaks (6.68, 6.68, 118.75 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: * QE TYR 27 + QE TYR 27 OK 71 71 - 100 Peak 4556 from cnoeabs.peaks (4.17, 6.96, 131.02 ppm; 6.43 A): 4 out of 8 assignments used, quality = 0.99: * HA PHE 38 + QD PHE 38 OK 89 89 - 100 - 3.1=100 HA GLU 120 + QD PHE 38 OK 54 82 - 66 - 800/2.6=11, 809/2.6=10...(19) HA TRP 88 + QD PHE 38 OK 50 89 - 56 - 787/4.3=8, 790/2.6=8...(18) HA LEU 64 + QD PHE 38 OK 46 88 - 52 - 4.0/4739=13, 8507/8525=6...(17) HB3 SER 44 - QD PHE 38 OK 33 74 - 45 - 809/2.6=6, 800/2.6=5...(16) HB2 SER 44 - QD PHE 38 OK 33 74 - 45 - 809/2.6=6, 800/2.6=6...(16) HG1 THR 74 - QD PHE 38 OK 16 89 - 18 - 8507/8525=4, 8509/8528=4...(7) HA3 GLY 125 - QD PHE 38 lone 2 50 - 5 - Peak 4557 from cnoeabs.peaks (2.73, 6.96, 131.02 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.99: * HB2 PHE 38 + QD PHE 38 OK 86 86 - 100 - 2.6=100 HB3 TYR 70 + QD PHE 38 OK 76 86 - 88 - 11543=45, 11541/3.8=40...(14) HB3 GLU 120 + QD PHE 38 OK 61 80 - 76 - ~4017=10, 810/2.6=10...(24) HB3 MET 46 - QD PHE 38 OK 21 63 - 34 - 6258/5.0=4, 1932/9868=4...(14) HB2 ASN 96 - QD PHE 38 lone 7 85 - 9 - 8504/8525=2 HB3 PHE 43 - QD PHE 38 lone 5 58 - 9 - 8119/8131=2, ~972=2, 984/9868=2 HB3 ASP 137 - QD PHE 38 lone 3 58 - 5 - Peak 4558 from cnoeabs.peaks (3.32, 6.96, 131.02 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.85: * HB3 PHE 38 + QD PHE 38 OK 85 85 - 100 - 2.6=100 HD3 ARG 109 - QD PHE 38 poor 6 54 - 10 - 8402/10991=5, 11078/4739=2 Peak 4559 from cnoeabs.peaks (6.96, 6.96, 131.02 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: * QD PHE 38 + QD PHE 38 OK 85 85 - 100 Peak 4560 from cnoeabs.peaks (6.26, 6.96, 131.02 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.77: * QE PHE 38 + QD PHE 38 OK 77 77 - 100 - 2.2=100 Peak 4561 from cnoeabs.peaks (6.22, 6.96, 131.02 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.87: * HZ PHE 38 + QD PHE 38 OK 87 87 - 100 - 3.8=100 Peak 4562 from cnoeabs.peaks (6.96, 6.26, 131.02 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.62: * QD PHE 38 + QE PHE 38 OK 62 62 - 100 - 2.2=100 HD21 ASN 139 - QE PHE 38 lone 2 50 - 3 - Peak 4563 from cnoeabs.peaks (6.26, 6.26, 131.02 ppm; diagonal): 1 out of 1 assignment used, quality = 0.55: * QE PHE 38 + QE PHE 38 OK 55 55 - 100 Peak 4565 from cnoeabs.peaks (6.96, 6.22, 128.90 ppm; 5.88 A): 1 out of 2 assignments used, quality = 0.94: * QD PHE 38 + HZ PHE 38 OK 94 94 - 100 - 3.8=100 HD21 ASN 139 - HZ PHE 38 lone 3 80 - 4 - 4562/2.2=1, 11543/11541=1 Peak 4566 from cnoeabs.peaks (6.26, 6.22, 128.90 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.87: * QE PHE 38 + HZ PHE 38 OK 87 87 - 100 - 2.2=100 Peak 4567 from cnoeabs.peaks (6.22, 6.22, 128.90 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HZ PHE 38 + HZ PHE 38 OK 96 96 - 100 Peak 4569 from cnoeabs.peaks (2.69, 7.35, 131.53 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 43 + QD PHE 43 OK 100 100 - 100 - 2.7=100 HB2 ASP 137 + QD PHE 43 OK 74 88 - 84 - 985/2.7=15, 964/3.1=15...(17) HB3 TYR 115 - QD PHE 43 OK 45 99 - 46 - 964/3.1=7, ~3842=7...(12) HB2 ASP 32 - QD PHE 43 OK 24 94 - 25 - 10806/10633=7, 964/3.1=3...(9) HB3 ASP 16 - QD PHE 43 OK 20 81 - 24 - ~157=4, ~152=3...(10) HB3 ASP 13 - QD PHE 43 OK 17 100 - 17 - 972/3.1=5, 8241/10633=3...(6) Peak 4570 from cnoeabs.peaks (2.74, 7.35, 131.53 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + QD PHE 43 OK 100 100 - 100 - 2.7=100 HB3 ASP 137 + QD PHE 43 OK 85 100 - 85 - ~985=14, 977/2.7=12...(17) HB3 ASP 40 + QD PHE 43 OK 74 91 - 81 - ~875=28, ~875=26...(14) HG3 MET 113 + QD PHE 43 OK 48 99 - 48 - ~971=9, ~971=7...(15) HE2 LYS 76 - QD PHE 43 OK 31 77 - 40 - 3.9/9881=12, 5.1/2272=6...(14) HE3 LYS 76 - QD PHE 43 OK 23 57 - 40 - 3.9/9881=12, 5.1/2272=6...(14) HE2 LYS 114 - QD PHE 43 OK 23 72 - 32 - 6.3/10197=19...(6) HB2 ASN 96 - QD PHE 43 OK 15 91 - 16 - ~3169=2, ~9085=2...(9) HB2 ASN 54 - QD PHE 43 OK 14 99 - 14 - 4.5/11212=2, ~10432=1...(7) Peak 4571 from cnoeabs.peaks (7.35, 7.35, 131.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 43 + QD PHE 43 OK 100 100 - 100 Peak 4572 from cnoeabs.peaks (6.99, 7.35, 131.53 ppm; 4.02 A): 1 out of 7 assignments used, quality = 0.99: * QE PHE 43 + QD PHE 43 OK 99 99 - 100 - 2.2=100 HZ PHE 67 - QD PHE 43 OK 36 98 - 37 - 5574=10, 5576/3.8=6...(9) HH2 TRP 17 - QD PHE 43 lone 8 99 - 8 - 5533/3.8=2, ~5525=1...(5) HD22 ASN 130 - QD PHE 43 lone 5 94 - 6 - 9809/10633=1 HD22 ASN 128 - QD PHE 43 lone 3 94 - 4 - HD2 HIS 10 - QD PHE 43 lone 1 62 - 2 - HZ PHE 45 - QD PHE 43 lone 1 62 - 2 - Peak 4574 from cnoeabs.peaks (7.35, 6.99, 129.99 ppm; 3.49 A): 1 out of 6 assignments used, quality = 0.98: * QD PHE 43 + QE PHE 43 OK 98 98 - 100 - 2.2=100 QD PHE 43 - HZ PHE 67 OK 25 85 - 29 - 4572=8, 3.8/4576=4...(9) H ARG 109 - QE PHE 43 lone 7 90 - 8 - ~3517=3, 966/4.8=2 H GLY 77 - QE PHE 43 lone 6 84 - 7 - 8673/4745=3, 10826/4.8=1 H ARG 109 - HZ PHE 67 lone 1 76 - 1 - H GLY 77 - HZ PHE 67 lone 1 70 - 1 - Peak 4575 from cnoeabs.peaks (6.99, 6.99, 129.99 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: * QE PHE 43 + QE PHE 43 OK 97 97 - 100 HZ PHE 67 + HZ PHE 67 OK 81 81 - 100 Peak 4576 from cnoeabs.peaks (6.71, 6.99, 129.99 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.98: * HZ PHE 43 + QE PHE 43 OK 98 98 - 100 - 2.2=100 HZ PHE 43 - HZ PHE 67 OK 29 85 - 34 - 4578=6, 3.8/4572=6...(9) QE TYR 70 - QE PHE 43 lone 3 81 - 3 - QE TYR 70 - HZ PHE 67 lone 1 67 - 1 - Peak 4578 from cnoeabs.peaks (6.99, 6.71, 127.93 ppm; 5.18 A): 2 out of 7 assignments used, quality = 0.99: * QE PHE 43 + HZ PHE 43 OK 99 99 - 100 - 2.2=100 HZ PHE 67 + HZ PHE 43 OK 50 97 - 52 - 5576=11, 4572/3.8=9...(11) HH2 TRP 17 - HZ PHE 43 OK 14 99 - 14 - 5533=3, ~5525=2, ~4525=2...(6) HD22 ASN 130 - HZ PHE 43 lone 8 93 - 8 - 10632/10634=2...(5) HD22 ASN 128 - HZ PHE 43 lone 6 93 - 6 - ~4340=1, ~4346=1 HD2 HIS 10 - HZ PHE 43 lone 5 61 - 8 - 10555/10962=4, 8238/10634=1 HZ PHE 45 - HZ PHE 43 lone 2 61 - 4 - Peak 4579 from cnoeabs.peaks (6.71, 6.71, 127.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 43 + HZ PHE 43 OK 100 100 - 100 Peak 4580 from cnoeabs.peaks (4.22, 7.21, 132.28 ppm; 5.16 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HA PHE 45 - QD PHE 45 Peak 4581 from cnoeabs.peaks (3.53, 7.21, 132.28 ppm; 4.59 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HB2 PHE 45 - QD PHE 45 Peak 4582 from cnoeabs.peaks (3.48, 7.21, 132.28 ppm; 4.37 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HB3 PHE 45 - QD PHE 45 Peak 4583 from cnoeabs.peaks (7.21, 7.21, 132.28 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QD PHE 45 - QD PHE 45 Peak 4584 from cnoeabs.peaks (7.12, 7.21, 132.28 ppm; 3.46 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QE PHE 45 - QD PHE 45 Peak 4586 from cnoeabs.peaks (7.21, 7.12, 130.89 ppm; 3.43 A): 2 out of 5 assignments used, quality = 0.70: * QD PHE 45 + QE PHE 45 OK 64 64 - 100 - 2.2=100 H GLU 37 + QE PHE 45 OK 16 82 - 19 - 1027/4.4=4, 4589/2.2=4...(7) HE3 TRP 17 - QE PHE 45 poor 9 78 - 12 - ~4522=2, ~5522=2...(5) QD TYR 27 - QE PHE 45 lone 5 72 - 8 - 4788/4760=3, 9826/9804=1 HE3 TRP 88 - QE PHE 45 lone 3 68 - 5 - 10303/9428=1, 10667/9828=1 Peak 4587 from cnoeabs.peaks (7.12, 7.12, 130.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.80: * QE PHE 45 + QE PHE 45 OK 80 80 - 100 Peak 4588 from cnoeabs.peaks (7.01, 7.12, 130.89 ppm; 3.92 A): 1 out of 6 assignments used, quality = 0.87: * HZ PHE 45 + QE PHE 45 OK 87 87 - 100 - 2.2=100 HH2 TRP 17 - QE PHE 45 poor 10 64 - 15 - ~4522=3, ~5522=3...(6) HD22 ASN 130 - QE PHE 45 poor 8 78 - 11 - 3.4/10836=4...(4) HZ PHE 67 - QE PHE 45 lone 5 72 - 6 - 10243/9446=1 HD22 ASN 128 - QE PHE 45 lone 3 78 - 4 - QE PHE 43 - QE PHE 45 lone 3 64 - 5 - 10737/10738=2 Peak 4589 from cnoeabs.peaks (7.21, 7.01, 129.36 ppm; 4.51 A): 2 out of 5 assignments used, quality = 0.85: * QD PHE 45 + HZ PHE 45 OK 81 81 - 100 - 3.8=100 H GLU 37 + HZ PHE 45 OK 23 98 - 24 - 5586/2.2=9, 1027/5.8=5...(6) HE3 TRP 17 - HZ PHE 45 lone 9 94 - 10 - 4586/2.2=4, 2.5/5525=2 QD TYR 27 - HZ PHE 45 lone 6 88 - 7 - 4586/2.2=3, 9826/10665=1 HE3 TRP 88 - HZ PHE 45 lone 5 85 - 6 - 10303/9429=2, 4586/2.2=1 Peak 4590 from cnoeabs.peaks (7.12, 7.01, 129.36 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.96: * QE PHE 45 + HZ PHE 45 OK 96 96 - 100 - 2.2=100 Peak 4591 from cnoeabs.peaks (7.01, 7.01, 129.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 4592 from cnoeabs.peaks (4.19, 6.82, 131.00 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 67 + QD PHE 67 OK 100 100 - 100 - 3.7=100 HA PHE 43 - QD PHE 67 OK 42 99 - 43 - 1934/2.6=13, 1942/2.6=12...(6) HA CYS 121 - QD PHE 67 OK 24 91 - 26 - 1942/2.6=7, 1934/2.6=7...(5) Peak 4593 from cnoeabs.peaks (3.04, 6.82, 131.00 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 67 + QD PHE 67 OK 100 100 - 100 - 2.6=100 HB3 ASP 65 + QD PHE 67 OK 68 100 - 68 - 1924/3.7=14, 6654/4.3=14...(12) HE2 LYS 34 - QD PHE 67 OK 13 72 - 19 - 6666/4.8=7, 6654/4.3=3...(5) HB2 HIS 10 - QD PHE 67 OK 11 85 - 12 - 1943/2.6=2, 6666/4.8=2...(4) Peak 4594 from cnoeabs.peaks (2.95, 6.82, 131.00 ppm; 6.80 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 67 + QD PHE 67 OK 100 100 - 100 - 2.6=100 HB2 TYR 115 + QD PHE 67 OK 73 100 - 74 - 3843/4.3=13, ~1941=13...(17) HB2 PHE 106 - QD PHE 67 OK 34 100 - 34 - 1925/3.7=5, 1936/2.6=5...(11) HE2 LYS 85 - QD PHE 67 OK 24 99 - 24 - 1936/2.6=4, 1925/3.7=3...(6) HE3 LYS 85 - QD PHE 67 OK 21 91 - 23 - ~1936=3, 1936/2.6=3...(6) HE2 LYS 48 - QD PHE 67 OK 20 100 - 20 - 1936/2.6=3, 6667/4.8=3...(6) HE3 LYS 48 - QD PHE 67 OK 19 98 - 19 - 1936/2.6=3, ~1936=3...(6) HE2 LYS 93 - QD PHE 67 OK 15 100 - 14 - 1936/2.6=2, 6667/4.8=2...(6) HE3 LYS 93 - QD PHE 67 OK 10 77 - 13 - ~1936=2, ~1936=2...(5) Peak 4595 from cnoeabs.peaks (6.82, 6.82, 131.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 67 + QD PHE 67 OK 100 100 - 100 Peak 4596 from cnoeabs.peaks (7.06, 6.82, 131.00 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * QE PHE 67 + QD PHE 67 OK 100 100 - 100 - 2.2=100 H MET 68 + QD PHE 67 OK 62 72 - 86 - 4.8=61, 1948/2.6=23...(11) HD1 TRP 17 - QD PHE 67 OK 17 99 - 17 - 3.9/4691=7, ~6055=5...(4) Peak 4597 from cnoeabs.peaks (7.00, 6.82, 131.00 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * HZ PHE 67 + QD PHE 67 OK 100 100 - 100 - 3.8=100 HH2 TRP 17 + QD PHE 67 OK 54 100 - 55 - ~5526=13, ~5521=11...(10) QE PHE 43 - QD PHE 67 OK 28 100 - 28 - 5602/2.2=10, 4601=7...(5) HD22 ASN 130 - QD PHE 67 lone 2 100 - 2 - HZ PHE 45 - QD PHE 67 lone 2 85 - 2 - HD22 ASN 128 - QD PHE 67 lone 2 100 - 1 - Peak 4598 from cnoeabs.peaks (6.82, 7.06, 131.03 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 67 + QE PHE 67 OK 100 100 - 100 - 2.2=100 HZ2 TRP 88 + QE PHE 67 OK 54 100 - 54 - 1937/4.4=9, 1945/4.4=8...(12) HE21 GLN 133 - QE PHE 67 OK 10 68 - 15 - 9610/9836=3, 1945/4.4=2...(7) Peak 4599 from cnoeabs.peaks (7.06, 7.06, 131.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 67 + QE PHE 67 OK 100 100 - 100 Peak 4600 from cnoeabs.peaks (7.00, 7.06, 131.03 ppm; 4.05 A): 3 out of 6 assignments used, quality = 1.00: * HZ PHE 67 + QE PHE 67 OK 100 100 - 100 - 2.2=100 HH2 TRP 17 + QE PHE 67 OK 55 100 - 56 - 2.5/5526=20, 2.4/5521=15...(10) QE PHE 43 + QE PHE 67 OK 52 100 - 52 - 5602=12, 10632/9836=6...(14) HD22 ASN 130 - QE PHE 67 lone 4 100 - 4 - 10632/9836=2 HZ PHE 45 - QE PHE 67 lone 4 85 - 4 - ~5588=1 HD22 ASN 128 - QE PHE 67 lone 3 100 - 3 - Peak 4601 from cnoeabs.peaks (6.82, 7.00, 129.80 ppm; 4.73 A): 1 out of 6 assignments used, quality = 1.00: * QD PHE 67 + HZ PHE 67 OK 100 100 - 100 - 3.8=100 QD PHE 67 - QE PHE 43 OK 29 94 - 31 - 2.2/5602=11, 4597=7...(5) HZ2 TRP 88 - HZ PHE 67 OK 29 100 - 29 - 5598/2.2=11, 1937/5.8=6...(6) HE21 GLN 133 - HZ PHE 67 poor 7 67 - 11 - 5598/2.2=3, 1945/5.8=2...(5) HZ2 TRP 88 - QE PHE 43 lone 6 94 - 6 - 9838/10632=1, 4598/5602=1 HE21 GLN 133 - QE PHE 43 lone 2 59 - 3 - 9610/10632=1 Peak 4602 from cnoeabs.peaks (7.06, 7.00, 129.80 ppm; 3.01 A): 1 out of 6 assignments used, quality = 1.00: * QE PHE 67 + HZ PHE 67 OK 100 100 - 100 - 2.2=100 QE PHE 67 - QE PHE 43 OK 28 94 - 30 - 5600=6, 9836/10632=4...(13) H MET 68 - HZ PHE 67 OK 11 72 - 15 - 6668/3.8=5, 1948/5.8=5...(5) HD1 TRP 17 - HZ PHE 67 lone 8 99 - 8 - ~6055=2, 5.0/4530=2...(5) H MET 68 - QE PHE 43 lone 3 63 - 5 - 3.6/9911=2, 4.8/4601=1 HD1 TRP 17 - QE PHE 43 lone 1 93 - 1 - Peak 4603 from cnoeabs.peaks (7.00, 7.00, 129.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 67 + HZ PHE 67 OK 100 100 - 100 QE PHE 43 + QE PHE 43 OK 94 94 - 100 Peak 4604 from cnoeabs.peaks (4.32, 7.08, 133.19 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 70 + QD TYR 70 OK 100 100 - 100 - 3.1=100 HA PRO 12 + QD TYR 70 OK 51 100 - 51 - ~9937=15, 2063/2.6=11...(9) HA ILE 56 - QD TYR 70 OK 27 72 - 37 - 4.2/4693=19, ~10606=8...(9) Peak 4605 from cnoeabs.peaks (3.15, 7.08, 133.19 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.6=100 HA LEU 39 + QD TYR 70 OK 45 96 - 47 - 2072/2.6=8, 2054/3.1=6...(14) HA VAL 80 - QD TYR 70 OK 26 72 - 36 - ~8761=8, ~8761=4...(14) HB2 TRP 17 - QD TYR 70 OK 16 96 - 16 - ~186=4, 2054/3.1=3...(7) Peak 4606 from cnoeabs.peaks (2.73, 7.08, 133.19 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HB3 TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.6=100 HB2 PHE 38 + QD TYR 70 OK 76 100 - 76 - ~11543=31, 2065/2.6=11...(15) HB3 GLU 120 + QD TYR 70 OK 49 100 - 49 - 2065/2.6=7, 2055/3.1=6...(15) HB3 MET 46 - QD TYR 70 OK 39 92 - 43 - 2065/2.6=7, 2055/3.1=7...(12) HB2 ASN 96 - QD TYR 70 OK 36 89 - 41 - 3.0/4697=22, ~3169=4...(9) HB2 ASN 84 - QD TYR 70 OK 16 72 - 22 - 2055/3.1=3, 2065/2.6=3...(8) Peak 4607 from cnoeabs.peaks (7.08, 7.08, 133.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 70 + QD TYR 70 OK 100 100 - 100 Peak 4608 from cnoeabs.peaks (6.70, 7.08, 133.19 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.2=100 QE TYR 27 - QD TYR 70 lone 3 81 - 4 - 11180/9804=2 HZ PHE 43 - QD TYR 70 lone 2 85 - 2 - Peak 4609 from cnoeabs.peaks (7.08, 6.70, 117.94 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 70 + QE TYR 70 OK 100 100 - 100 - 2.2=100 H MET 68 - QE TYR 70 lone 7 81 - 9 - 6678/6.3=3, 2066/4.5=3, ~1949=3 Peak 4610 from cnoeabs.peaks (6.70, 6.70, 117.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 70 + QE TYR 70 OK 100 100 - 100 Peak 4611 from cnoeabs.peaks (4.17, 7.48, 128.32 ppm; 6.80 A): 1 out of 8 assignments used, quality = 0.99: * HA TRP 88 + HD1 TRP 88 OK 99 99 - 100 - 4.6=100 HA LEU 64 - HD1 TRP 88 OK 34 99 - 34 - 2840/3.9=10, 2830/3.9=10...(5) HA PHE 38 - HD1 TRP 88 OK 27 99 - 28 - 2830/3.9=7, 2840/3.9=7...(6) HA GLU 120 - HD1 TRP 88 OK 20 96 - 21 - 2830/3.9=4, 2840/3.9=4...(6) HG1 THR 74 - HD1 TRP 88 OK 17 99 - 17 - 2840/3.9=4, ~9932=4...(5) HB3 SER 44 - HD1 TRP 88 lone 6 90 - 7 - 11061/5.1=1 HB2 SER 44 - HD1 TRP 88 lone 6 90 - 7 - 11061/5.1=1 HA3 GLY 125 - HD1 TRP 88 lone 2 66 - 3 - Peak 4612 from cnoeabs.peaks (3.30, 7.48, 128.32 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.99: * HB2 TRP 88 + HD1 TRP 88 OK 98 98 - 100 - 3.9=100 HD3 ARG 109 + HD1 TRP 88 OK 49 95 - 52 - 8916/2.6=16...(9) HD2 ARG 124 - HD1 TRP 88 OK 19 99 - 19 - 2841/3.9=6, 2819/4.6=5...(4) HB3 TRP 17 - HD1 TRP 88 lone 6 95 - 6 - Peak 4613 from cnoeabs.peaks (3.07, 7.48, 128.32 ppm; 4.90 A): 1 out of 9 assignments used, quality = 0.98: * HB3 TRP 88 + HD1 TRP 88 OK 98 98 - 100 - 3.9=100 HD3 ARG 49 - HD1 TRP 88 OK 40 93 - 43 - 8917/2.6=13, 10669=8...(9) HA TYR 119 - HD1 TRP 88 OK 13 80 - 17 - 10303/5.1=5, 8917/2.6=5...(4) HB2 TYR 27 - HD1 TRP 88 OK 11 75 - 14 - 2832/3.9=5, 2820/4.6=4...(4) HA2 GLY 78 - HD1 TRP 88 OK 10 87 - 12 - 8917/2.6=3, 8706/11028=3...(4) HE2 LYS 86 - HD1 TRP 88 lone 8 93 - 8 - 7017/5.4=3, 2820/4.6=2...(4) HE3 LYS 86 - HD1 TRP 88 lone 8 90 - 8 - 7017/5.4=2, 2820/4.6=2...(4) HB3 ASP 30 - HD1 TRP 88 lone 3 98 - 3 - HE3 LYS 34 - HD1 TRP 88 lone 2 71 - 2 - Peak 4614 from cnoeabs.peaks (7.48, 7.48, 128.32 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 88 + HD1 TRP 88 OK 99 99 - 100 Peak 4619 from cnoeabs.peaks (7.48, 7.20, 120.15 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HD1 TRP 88 + HE3 TRP 88 OK 100 100 - 100 - 5.1=100 H TYR 70 - HE3 TRP 88 OK 36 89 - 41 - 9210/10208=11...(7) HE ARG 49 - HE3 TRP 88 OK 27 72 - 38 - 2.9/10667=15, 2843/4.2=9...(5) HE22 GLN 62 - HE3 TRP 88 lone 7 94 - 8 - HE21 GLN 47 - HE3 TRP 88 lone 6 98 - 6 - Peak 4620 from cnoeabs.peaks (7.20, 7.20, 120.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 88 + HE3 TRP 88 OK 100 100 - 100 Peak 4621 from cnoeabs.peaks (6.53, 7.20, 120.15 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HE3 TRP 88 OK 100 100 - 100 - 2.5=100 Peak 4626 from cnoeabs.peaks (6.53, 6.53, 121.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HZ3 TRP 88 OK 100 100 - 100 Peak 4628 from cnoeabs.peaks (6.43, 6.53, 121.14 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 88 + HZ3 TRP 88 OK 100 100 - 100 - 2.4=100 Peak 4632 from cnoeabs.peaks (6.82, 6.82, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * HZ2 TRP 88 + HZ2 TRP 88 OK 93 93 - 100 Peak 4633 from cnoeabs.peaks (6.43, 6.82, 113.40 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.95: * HH2 TRP 88 + HZ2 TRP 88 OK 95 95 - 100 - 2.5=100 Peak 4636 from cnoeabs.peaks (6.53, 6.43, 122.14 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HH2 TRP 88 OK 100 100 - 100 - 2.4=100 Peak 4637 from cnoeabs.peaks (6.82, 6.43, 122.14 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.99: * HZ2 TRP 88 + HH2 TRP 88 OK 99 99 - 100 - 2.5=100 QD PHE 67 + HH2 TRP 88 OK 48 100 - 48 - ~4598=8, ~5598=8...(14) HE21 GLN 133 - HH2 TRP 88 lone 2 77 - 3 - 8554/8556=1 Peak 4638 from cnoeabs.peaks (6.43, 6.43, 122.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 88 + HH2 TRP 88 OK 99 99 - 100 Peak 4639 from cnoeabs.peaks (3.96, 7.13, 131.28 ppm; 4.70 A): 3 out of 12 assignments used, quality = 0.91: * HA PHE 106 + QD PHE 106 OK 73 73 - 100 - 3.7=100 HB3 SER 103 + QD PHE 106 OK 60 73 - 82 - 10145/2.5=29, ~10147=21...(12) HA LYS 48 + QD PHE 106 OK 14 65 - 22 - 3431/2.5=4, 3439/2.5=4...(6) HA3 GLY 94 - QD PHE 106 lone 5 70 - 7 - 3439/2.5=1, 3431/2.5=1...(4) HA ALA 60 - QD PHE 106 lone 5 70 - 7 - 3439/2.5=1, 3431/2.5=1 HA PHE 106 - QE PHE 45 poor 4 37 - 12 - 5.6/4645=3, 3.0/3442=2...(5) HB3 SER 103 - QE PHE 45 lone 3 37 - 8 - 10152/4.7=5, 10189=1 HA3 GLY 143 - QD PHE 106 lone 1 49 - 3 - HA LYS 48 - QE PHE 45 lone 1 32 - 3 - ~671=2 HA3 GLY 94 - QE PHE 45 lone 1 35 - 2 - HA ALA 60 - QE PHE 45 lone 0 35 - 1 - HA3 GLY 143 - QE PHE 45 lone 0 23 - 1 - Peak 4640 from cnoeabs.peaks (2.95, 7.13, 131.28 ppm; 4.81 A): 7 out of 18 assignments used, quality = 0.91: * HB2 PHE 106 + QD PHE 106 OK 73 73 - 100 - 2.5=100 HE2 LYS 48 + QD PHE 106 OK 21 73 - 29 - 3421/3.7=5, 3440/2.5=5...(7) HB3 PHE 67 + QD PHE 106 OK 19 73 - 26 - ~1936=3, 3440/2.5=3...(14) HE3 LYS 48 + QD PHE 106 OK 19 69 - 28 - 3421/3.7=5, 3440/2.5=5...(8) HE2 LYS 85 + QD PHE 106 OK 14 72 - 19 - 3440/2.5=3, 3421/3.7=3...(6) HE3 LYS 85 + QD PHE 106 OK 11 62 - 18 - 3440/2.5=3, 3421/3.7=2...(6) HB2 PHE 106 + QE PHE 45 OK 11 37 - 30 - ~5590=6, ~5584=5...(10) HB2 TYR 115 - QD PHE 106 poor 9 73 - 13 - 3440/2.5=2, ~3849=1...(9) HE2 LYS 93 - QD PHE 106 poor 9 73 - 12 - 3440/2.5=2, 3421/3.7=2...(6) HE3 LYS 93 - QD PHE 106 poor 5 49 - 10 - 3440/2.5=1, ~3440=1...(5) HB3 PHE 67 - QE PHE 45 lone 1 37 - 3 - HE2 LYS 48 - QE PHE 45 lone 1 37 - 2 - HE3 LYS 48 - QE PHE 45 lone 1 34 - 2 - HE2 LYS 85 - QE PHE 45 lone 1 36 - 1 - HE2 LYS 93 - QE PHE 45 lone 0 37 - 1 - HE3 LYS 85 - QE PHE 45 lone 0 30 - 2 - HB2 TYR 115 - QE PHE 45 lone 0 37 - 1 - HE3 LYS 93 - QE PHE 45 lone 0 23 - 1 - Peak 4641 from cnoeabs.peaks (3.12, 7.13, 131.28 ppm; 4.70 A): 4 out of 16 assignments used, quality = 0.93: * HB3 PHE 106 + QD PHE 106 OK 73 73 - 100 - 2.5=100 HD3 ARG 145 + QD PHE 106 OK 42 67 - 63 - 3.4/10385=24...(18) HD2 ARG 145 + QD PHE 106 OK 41 65 - 63 - 3.4/10385=24...(18) HD2 ARG 109 + QD PHE 106 OK 28 56 - 50 - 3.0/10732=17, 3422/3.7=6...(13) HA ALA 105 - QD PHE 106 OK 27 42 - 65 - 2.1/10209=19...(10) HA VAL 80 - QD PHE 106 OK 14 49 - 29 - 3.2/9955=9, 3433/2.5=3...(13) HA LEU 79 - QD PHE 106 OK 12 73 - 16 - 4.0/9979=4, ~2366=2...(8) HB3 PHE 106 - QE PHE 45 OK 11 37 - 29 - ~5590=6, ~5584=5...(10) HA ALA 105 - QE PHE 45 poor 5 20 - 24 - ~10159=14, 10206/2.2=4...(4) HB3 ASN 96 - QD PHE 106 lone 3 49 - 7 - HD3 ARG 145 - QE PHE 45 lone 1 33 - 4 - 3.4/10385=1 HD2 ARG 145 - QE PHE 45 lone 1 32 - 4 - 3.4/10385=1 HD2 ARG 109 - QE PHE 45 lone 1 27 - 3 - HA VAL 80 - QE PHE 45 lone 1 23 - 3 - 8745/9446=1, 3.2/9955=1 HA LEU 79 - QE PHE 45 lone 1 37 - 2 - HB3 ASN 96 - QE PHE 45 lone 0 23 - 2 - Peak 4642 from cnoeabs.peaks (7.13, 7.13, 131.28 ppm; diagonal): 2 out of 2 assignments used, quality = 0.73: * QD PHE 106 + QD PHE 106 OK 62 62 - 100 QE PHE 45 + QE PHE 45 OK 30 30 - 100 Peak 4643 from cnoeabs.peaks (7.28, 7.13, 131.28 ppm; 2.96 A): 1 out of 6 assignments used, quality = 0.73: * QE PHE 106 + QD PHE 106 OK 73 73 - 100 - 2.2=100 QE PHE 106 - QE PHE 45 poor 6 37 - 17 - 4645=6, 2.2/4648=2...(6) HZ2 TRP 17 - QD PHE 106 lone 3 70 - 4 - ~5534=1 H PHE 67 - QD PHE 106 lone 3 56 - 5 - HZ2 TRP 17 - QE PHE 45 lone 1 35 - 3 - H PHE 67 - QE PHE 45 lone 0 27 - 1 - Peak 4645 from cnoeabs.peaks (7.13, 7.28, 131.44 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.90: * QD PHE 106 + QE PHE 106 OK 88 88 - 100 - 2.2=100 QE PHE 45 + QE PHE 106 OK 14 88 - 15 - 4643=4, 4648/2.2=3...(6) Peak 4646 from cnoeabs.peaks (7.28, 7.28, 131.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QE PHE 106 + QE PHE 106 OK 98 98 - 100 Peak 4648 from cnoeabs.peaks (7.13, 7.25, 129.68 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.73: * QD PHE 106 + HZ PHE 106 OK 70 70 - 100 - 3.8=100 QE PHE 45 + HZ PHE 106 OK 10 70 - 14 - 4645/2.2=6, 4830=4 Peak 4649 from cnoeabs.peaks (7.28, 7.25, 129.68 ppm; 2.76 A): 1 out of 3 assignments used, quality = 0.82: * QE PHE 106 + HZ PHE 106 OK 82 82 - 100 - 2.2=100 HZ2 TRP 17 - HZ PHE 106 lone 3 79 - 4 - H PHE 67 - HZ PHE 106 lone 1 63 - 2 - Peak 4650 from cnoeabs.peaks (7.25, 7.25, 129.68 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: * HZ PHE 106 + HZ PHE 106 OK 81 81 - 100 Peak 4651 from cnoeabs.peaks (3.91, 6.93, 133.83 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 112 + QD TYR 112 OK 100 100 - 100 - 3.7=100 HD3 PRO 98 + QD TYR 112 OK 59 72 - 82 - ~3271=12, ~3263=12...(17) HA MET 46 - QD TYR 112 OK 29 85 - 35 - 10993/8457=9, 7378/4.9=6...(8) HD2 PRO 129 - QD TYR 112 OK 23 77 - 29 - 3666/2.7=8, 3674/2.7=8...(4) Peak 4652 from cnoeabs.peaks (3.25, 6.93, 133.83 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 112 + QD TYR 112 OK 100 100 - 100 - 2.7=100 HD2 PRO 52 + QD TYR 112 OK 79 99 - 79 - 3675/2.7=18, 3656/3.7=16...(13) HD2 ARG 89 - QD TYR 112 OK 27 98 - 27 - 3675/2.7=6, 3656/3.7=6...(8) Peak 4653 from cnoeabs.peaks (3.41, 6.93, 133.83 ppm; 5.09 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 112 + QD TYR 112 OK 100 100 - 100 - 2.7=100 HA THR 74 + QD TYR 112 OK 71 88 - 80 - 8560/2.2=31...(21) HD2 PRO 98 + QD TYR 112 OK 50 67 - 75 - 3668/2.7=10, ~3247=9...(20) Peak 4654 from cnoeabs.peaks (6.93, 6.93, 133.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 112 + QD TYR 112 OK 100 100 - 100 Peak 4655 from cnoeabs.peaks (6.80, 6.93, 133.83 ppm; 5.19 A): 2 out of 4 assignments used, quality = 0.87: * QE TYR 112 + QD TYR 112 OK 72 72 - 100 - 2.2=100 H LYS 76 + QD TYR 112 OK 55 98 - 56 - 8552/8551=17...(12) HD21 ASN 96 - QD TYR 112 lone 9 91 - 9 - 8552/8551=4, 8554/8553=3 HE21 GLN 133 - QD TYR 112 poor 8 77 - 11 - 8554/8553=4, 8552/8551=3 Peak 4656 from cnoeabs.peaks (6.93, 6.80, 118.25 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.63: * QD TYR 112 + QE TYR 112 OK 55 55 - 100 - 2.2=100 QD PHE 23 + QE TYR 112 OK 17 46 - 37 - 3669/4.5=7, 3658/5.6=5...(13) Peak 4657 from cnoeabs.peaks (6.80, 6.80, 118.25 ppm; diagonal): 0 out of 1 assignment used, low quality = 0.33: ! QE TYR 112 - QE TYR 112 OK 33 33 - 100 Peak 4658 from cnoeabs.peaks (4.50, 7.31, 132.50 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.50: HA ASP 13 + QD TYR 115 OK 50 100 - 50 - 111/2.5=13, 3840/2.5=8...(12) Reference assignment not found: HA TYR 115 - QD TYR 115 Peak 4659 from cnoeabs.peaks (2.95, 7.31, 132.50 ppm; 4.88 A): 2 out of 12 assignments used, quality = 1.00: * HB2 TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.5=100 HB3 PHE 67 + QD TYR 115 OK 59 100 - 60 - 1941=16, 3.0/1922=11...(16) HE2 LYS 48 - QD TYR 115 OK 23 100 - 23 - 3.6/4726=4, 3849/2.5=3...(7) HE3 LYS 48 - QD TYR 115 OK 22 100 - 22 - 3.6/4726=4, 3849/2.5=3...(7) HE2 LYS 93 - QD TYR 115 OK 19 100 - 19 - 3849/2.5=2, 3833/3.7=2...(7) HE2 LYS 85 - QD TYR 115 OK 18 100 - 17 - 3849/2.5=2, 3833/3.7=2...(6) HE3 LYS 85 - QD TYR 115 OK 17 98 - 17 - 3849/2.5=2, 3833/3.7=2...(6) HB2 PHE 106 - QD TYR 115 OK 16 100 - 16 - 3849/2.5=2, 3833/3.7=2...(7) HE3 LYS 93 - QD TYR 115 OK 15 89 - 17 - ~9353=2, ~4719=2...(8) HE3 LYS 61 - QD TYR 115 lone 4 68 - 6 - 9858/4658=2, 8335/4729=1 HB3 ASN 130 - QD TYR 115 lone 4 72 - 6 - HE2 LYS 61 - QD TYR 115 lone 3 68 - 5 - 9858/4658=1, 8335/4729=1 Peak 4660 from cnoeabs.peaks (2.69, 7.31, 132.50 ppm; 5.15 A): 3 out of 6 assignments used, quality = 1.00: * HB3 TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.5=100 HB3 ASP 13 + QD TYR 115 OK 81 98 - 83 - 3.0/4658=41, 3842/2.5=12...(16) HB2 ASP 32 + QD TYR 115 OK 50 100 - 50 - 3842/2.5=9, 3834/3.7=8...(15) HB2 PHE 43 - QD TYR 115 OK 36 99 - 37 - 3842/2.5=6, 3834/3.7=5...(13) HB2 ASP 137 - QD TYR 115 OK 31 98 - 31 - 4.5/9714=5, 3842/2.5=4...(12) HB3 ASP 16 - QD TYR 115 OK 21 94 - 22 - 3842/2.5=3, 3851=3...(11) Peak 4661 from cnoeabs.peaks (7.31, 7.31, 132.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 115 + QD TYR 115 OK 100 100 - 100 Peak 4662 from cnoeabs.peaks (7.16, 7.31, 132.50 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.2=100 QD TYR 117 - QD TYR 115 OK 14 81 - 17 - 10287/4.8=3...(9) Peak 4663 from cnoeabs.peaks (7.31, 7.16, 118.50 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.99: * QD TYR 115 + QE TYR 115 OK 99 99 - 100 - 2.2=100 H ASP 30 - QE TYR 115 OK 32 99 - 32 - 5663=7, 4.8/9356=4...(11) H ARG 35 - QE TYR 115 OK 20 96 - 20 - 3.6/4718=3, ~581=2...(5) H PHE 67 - QE TYR 115 OK 15 61 - 25 - 5663=5, ~1922=3...(10) Peak 4664 from cnoeabs.peaks (7.16, 7.16, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QE TYR 115 + QE TYR 115 OK 99 99 - 100 Peak 4665 from cnoeabs.peaks (4.75, 7.15, 132.91 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.93: * HA TYR 117 + QD TYR 117 OK 93 93 - 100 - 3.7=100 Peak 4666 from cnoeabs.peaks (3.45, 7.15, 132.91 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.96: * HB2 TYR 117 + QD TYR 117 OK 93 93 - 100 - 2.7=100 HB3 PHE 45 + QD TYR 117 OK 42 75 - 56 - 11047/4.6=26...(8) HA LEU 42 - QD TYR 117 OK 26 89 - 29 - 3916/2.7=7, 11701/4.6=6...(6) Peak 4667 from cnoeabs.peaks (3.22, 7.15, 132.91 ppm; 5.26 A): 2 out of 6 assignments used, quality = 0.92: * HB3 TYR 117 + QD TYR 117 OK 89 89 - 100 - 2.7=100 HG3 MET 46 + QD TYR 117 OK 29 82 - 35 - 3.3/8171=9, 3911/2.7=6...(10) HD3 ARG 124 - QD TYR 117 OK 19 87 - 22 - 8726/8716=6, 3911/2.7=3...(7) HD2 ARG 140 - QD TYR 117 OK 18 93 - 19 - 3911/2.7=4, ~3911=3...(5) HD3 ARG 140 - QD TYR 117 OK 16 85 - 18 - 3911/2.7=4, ~3911=3...(5) HD3 ARG 89 - QD TYR 117 lone 2 71 - 3 - Peak 4668 from cnoeabs.peaks (7.15, 7.15, 132.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.91: * QD TYR 117 + QD TYR 117 OK 91 91 - 100 Peak 4669 from cnoeabs.peaks (6.56, 7.15, 132.91 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.92: * QE TYR 117 + QD TYR 117 OK 92 92 - 100 - 2.2=100 HE22 GLN 22 - QD TYR 117 lone 7 82 - 9 - ~9408=5, ~10984=2, 9939/8716=1 Peak 4670 from cnoeabs.peaks (7.15, 6.56, 118.44 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.96: * QD TYR 117 + QE TYR 117 OK 96 96 - 100 - 2.2=100 QD PHE 106 - QE TYR 117 OK 29 73 - 40 - ~3442=7, ~3434=7...(12) QE TYR 115 - QE TYR 117 OK 24 85 - 28 - 9570/9571=6...(9) Peak 4671 from cnoeabs.peaks (6.56, 6.56, 118.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE TYR 117 + QE TYR 117 OK 97 97 - 100 Peak 4672 from cnoeabs.peaks (3.08, 6.32, 132.38 ppm; 6.37 A): 1 out of 5 assignments used, quality = 0.99: * HA TYR 119 + QD TYR 119 OK 99 99 - 100 - 3.7=100 HD3 ARG 49 - QD TYR 119 OK 25 98 - 26 - 7469/4.0=7, 3991/2.7=6...(5) HA2 GLY 78 - QD TYR 119 OK 16 99 - 16 - 7469/4.0=4, 3991/2.7=4...(4) HB3 TRP 88 - QD TYR 119 OK 14 61 - 24 - 4.2/4753=14, 7478/5.0=3...(6) HB3 ASP 30 - QD TYR 119 lone 2 61 - 3 - Peak 4673 from cnoeabs.peaks (2.88, 6.32, 132.38 ppm; 6.05 A): 2 out of 3 assignments used, quality = 0.76: * HB2 TYR 119 + QD TYR 119 OK 71 71 - 100 - 2.7=100 HB3 ASP 32 + QD TYR 119 OK 19 93 - 20 - ~413=5, ~417=5...(6) HB2 CYS 121 - QD TYR 119 lone 1 61 - 2 - Peak 4674 from cnoeabs.peaks (2.78, 6.32, 132.38 ppm; 4.92 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 119 + QD TYR 119 OK 99 99 - 100 - 2.7=100 HB3 ASN 84 + QD TYR 119 OK 65 99 - 65 - 4001=17, 3999/2.7=12...(13) HG3 GLN 111 - QD TYR 119 OK 35 99 - 36 - 3993/2.7=6, 3983/3.7=6...(11) HB2 ASP 41 - QD TYR 119 OK 33 83 - 39 - ~10747=21, ~9431=5...(11) HB2 ASN 128 - QD TYR 119 lone 5 61 - 8 - 8148/8160=3 Peak 4675 from cnoeabs.peaks (6.32, 6.32, 132.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD TYR 119 + QD TYR 119 OK 99 99 - 100 Peak 4676 from cnoeabs.peaks (6.24, 6.32, 132.38 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.99: * QE TYR 119 + QD TYR 119 OK 99 99 - 100 - 2.2=100 Peak 4677 from cnoeabs.peaks (6.32, 6.24, 117.38 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + QE TYR 119 OK 100 100 - 100 - 2.2=100 Peak 4678 from cnoeabs.peaks (6.24, 6.24, 117.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 119 + QE TYR 119 OK 100 100 - 100 Peak 4683 from cnoeabs.peaks (9.97, 7.06, 125.96 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.66: HE1 TRP 17 + HD1 TRP 17 OK 66 66 - 100 - 2.6=100 Peak 4684 from cnoeabs.peaks (3.67, 6.77, 121.48 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.10: HA ILE 83 - HZ3 TRP 17 OK 10 94 - 11 - 10034/6.4=6, 2503/8130=2 Peak 4685 from cnoeabs.peaks (5.00, 7.00, 124.28 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4686 from cnoeabs.peaks (2.17, 6.77, 121.48 ppm; 5.16 A): 0 out of 5 assignments used, low quality = 0.37: HB3 LYS 86 - HZ3 TRP 17 OK 37 89 - 41 - 10054=40, 8038/5.9=2 HB2 GLN 25 - HZ3 TRP 17 lone 2 98 - 2 - HB3 PRO 57 - HZ3 TRP 17 lone 2 77 - 3 - 8038/5.9=1 HG2 PRO 129 - HZ3 TRP 17 lone 1 98 - 1 - HG LEU 29 - HZ3 TRP 17 lone 1 68 - 1 - Peak 4687 from cnoeabs.peaks (9.97, 7.28, 114.28 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.88: HE1 TRP 17 + HZ2 TRP 17 OK 88 88 - 100 - 2.8=100 Peak 4688 from cnoeabs.peaks (9.96, 7.00, 124.28 ppm; 5.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4689 from cnoeabs.peaks (8.54, 7.21, 132.28 ppm; 5.89 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4690 from cnoeabs.peaks (8.78, 7.21, 132.28 ppm; 5.74 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4691 from cnoeabs.peaks (3.29, 6.82, 131.00 ppm; 5.68 A): 3 out of 4 assignments used, quality = 0.63: HB3 TRP 17 + QD PHE 67 OK 40 99 - 41 - ~10860=33, 7.3/4597=6 HD3 ARG 109 + QD PHE 67 OK 29 62 - 46 - 1.8/10737=10...(8) HB2 TRP 88 + QD PHE 67 OK 12 72 - 17 - 5.3/7027=7, 7.3/4637=6 HD2 ARG 124 - QD PHE 67 lone 5 77 - 6 - 9478/8718=1 Peak 4692 from cnoeabs.peaks (1.73, 7.08, 133.19 ppm; 5.45 A): 5 out of 9 assignments used, quality = 0.66: HD2 LYS 36 + QD TYR 70 OK 41 100 - 41 - 5.3/9804=18, ~9779=9...(5) HG LEU 66 + QD TYR 70 OK 21 81 - 26 - ~8400=14, ~4698=6, 4.8/6644=2 HB2 ARG 49 + QD TYR 70 OK 11 96 - 11 - 3.0/4696=4, 8220/11236=3 HB2 GLU 81 + QD TYR 70 OK 10 99 - 10 - 706/9804=2, ~8773=2...(4) HB3 ARG 144 + QD TYR 70 OK 10 98 - 10 - 4.0/11236=6, 653/9804=2 HB3 GLU 81 - QD TYR 70 lone 9 92 - 10 - 706/9804=2, ~8773=2...(4) HB3 ARG 109 - QD TYR 70 lone 5 72 - 7 - 11120/4.4=4 HG3 ARG 140 - QD TYR 70 lone 2 98 - 2 - HG3 ARG 89 - QD TYR 70 lone 2 85 - 2 - Peak 4693 from cnoeabs.peaks (0.60, 7.08, 133.19 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.58: QD1 ILE 56 + QD TYR 70 OK 58 96 - 60 - 8260/2.2=29, ~10606=15...(9) Peak 4694 from cnoeabs.peaks (3.15, 6.70, 117.94 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.94: HB2 TYR 70 + QE TYR 70 OK 94 94 - 100 - 4.5=100 HA LEU 39 - QE TYR 70 OK 28 72 - 39 - 4605/2.2=10, 2072/4.5=8...(7) HB2 TRP 17 - QE TYR 70 OK 13 100 - 13 - 5605/2.2=4, 2054/4.7=4...(4) Peak 4695 from cnoeabs.peaks (4.15, 6.70, 117.94 ppm; 6.80 A): 0 out of 7 assignments used, low quality = 0.21: HB3 SER 44 - QE TYR 70 OK 11 77 - 15 - 1.8/10728=7, 10728=5 HB2 SER 44 - QE TYR 70 OK 11 77 - 15 - 1.8/10728=7, 10728=5 HA GLU 120 - QE TYR 70 poor 8 62 - 14 - ~4606=4, ~5606=4, 4007/4.5=3 HA LEU 126 - QE TYR 70 lone 3 100 - 3 - HA LYS 76 - QE TYR 70 lone 3 99 - 3 - HA GLU 131 - QE TYR 70 lone 3 98 - 3 - HA3 GLY 125 - QE TYR 70 lone 2 96 - 2 - Peak 4696 from cnoeabs.peaks (4.26, 7.08, 133.19 ppm; 4.20 A): 0 out of 8 assignments used, low quality = 0.11: HA2 GLY 50 - QD TYR 70 OK 11 99 - 11 - 3.6/11236=10 HA ALA 135 - QD TYR 70 lone 7 100 - 7 - ~9646=3, ~9646=3 HB THR 92 - QD TYR 70 lone 4 62 - 6 - ~11578=5 HA LEU 95 - QD TYR 70 lone 3 72 - 5 - 3.9/9933=2 HA ARG 49 - QD TYR 70 lone 3 68 - 4 - 3.0/4692=2 HB THR 99 - QD TYR 70 lone 1 94 - 2 - HA SER 138 - QD TYR 70 lone 1 96 - 1 - HA GLU 142 - QD TYR 70 lone 1 85 - 1 - Peak 4697 from cnoeabs.peaks (4.38, 7.08, 133.19 ppm; 4.54 A): 0 out of 3 assignments used, low quality = 0.25: HB THR 18 - QD TYR 70 OK 15 100 - 15 - 3.0/10859=6, 2.1/10858=5 HA ASN 96 - QD TYR 70 OK 12 98 - 12 - 3169/2.6=4, 3.0/5606=2...(6) HA ASP 30 - QD TYR 70 lone 1 94 - 1 - Peak 4698 from cnoeabs.peaks (0.58, 6.70, 117.94 ppm; 5.49 A): 3 out of 5 assignments used, quality = 0.76: QG1 VAL 71 + QE TYR 70 OK 58 100 - 58 - ~8523=41, ~8523=15, 9907/6.3=11 QD1 LEU 66 + QE TYR 70 OK 26 94 - 28 - 9906/6.3=19, ~4692=5 QD1 ILE 56 + QE TYR 70 OK 23 67 - 34 - 3.1/10606=17, 8260=10...(4) QD1 LEU 132 - QE TYR 70 lone 5 99 - 5 - 8482/6.3=3 QG2 ILE 58 - QE TYR 70 lone 4 98 - 4 - 8482/6.3=2 Peak 4699 from cnoeabs.peaks (9.53, 7.48, 128.32 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.80: HE1 TRP 88 + HD1 TRP 88 OK 80 80 - 100 - 2.6=100 Peak 4700 from cnoeabs.peaks (1.11, 7.48, 128.32 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.68: QB ALA 105 + HD1 TRP 88 OK 62 93 - 67 - 8922/2.6=28, 9211/3.9=23...(8) HD2 LYS 123 + HD1 TRP 88 OK 15 87 - 17 - 8927/3.9=6, 8922/2.6=5...(4) Peak 4701 from cnoeabs.peaks (0.67, 7.48, 128.32 ppm; 5.87 A): 2 out of 4 assignments used, quality = 0.97: QD1 ILE 83 + HD1 TRP 88 OK 93 99 - 94 - 10024/2.6=48, ~8836=33...(11) HB3 LEU 116 + HD1 TRP 88 OK 58 96 - 61 - 3.1/9399=45, 8924/2.6=12...(7) QD2 LEU 39 - HD1 TRP 88 OK 20 95 - 21 - 8128/4.6=5, 863/9399=5...(5) QD2 LEU 66 - HD1 TRP 88 OK 17 96 - 18 - 10067/5.0=5, 3889/9399=5...(5) Peak 4702 from cnoeabs.peaks (3.60, 6.82, 113.40 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.25: HA2 GLY 31 - HZ2 TRP 88 OK 25 92 - 27 - 10531/2.8=13...(3) Peak 4703 from cnoeabs.peaks (3.60, 6.43, 122.14 ppm; 5.45 A): 2 out of 2 assignments used, quality = 0.84: HA ARG 109 + HH2 TRP 88 OK 69 77 - 90 - 9268=30, 2.9/10236=29...(13) HA2 GLY 31 + HH2 TRP 88 OK 48 100 - 48 - 4702/2.5=39...(3) Peak 4704 from cnoeabs.peaks (9.53, 6.82, 113.40 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.87: HE1 TRP 88 + HZ2 TRP 88 OK 87 87 - 100 - 2.8=100 Peak 4705 from cnoeabs.peaks (1.33, 6.82, 113.40 ppm; 5.14 A): 0 out of 3 assignments used, low quality = 0.17: HG2 LYS 85 - HZ2 TRP 88 OK 17 87 - 19 - 8921/2.8=11, 3.0/8941=2 HB3 ARG 49 - HZ2 TRP 88 poor 7 56 - 12 - ~8919=5, ~10066=4 QB ALA 60 - HZ2 TRP 88 lone 6 78 - 7 - ~8915=3, 11006/9112=2 Peak 4706 from cnoeabs.peaks (0.77, 6.82, 113.40 ppm; 4.08 A): 5 out of 5 assignments used, quality = 0.84: QD1 LEU 79 + HZ2 TRP 88 OK 64 81 - 78 - 8721/2.5=24, 8720=16...(15) QD2 LEU 95 + HZ2 TRP 88 OK 31 92 - 33 - 9975/2.5=7, 8720=5...(11) QD2 LEU 72 + HZ2 TRP 88 OK 15 74 - 20 - 8944/2.5=3, ~4707=3...(6) QG2 THR 74 + HZ2 TRP 88 OK 15 74 - 20 - 8944/2.5=4, 8720=2...(8) QD1 LEU 72 + HZ2 TRP 88 OK 12 56 - 21 - 4707/2.5=3, ~4707=3...(9) Peak 4707 from cnoeabs.peaks (0.76, 6.43, 122.14 ppm; 4.20 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 73 + HH2 TRP 88 OK 78 96 - 82 - 8556=47, 8555/2.4=37...(12) QD1 LEU 72 + HH2 TRP 88 OK 31 99 - 31 - 8943/2.5=5, 2151/9888=4...(13) QD2 LEU 72 + HH2 TRP 88 OK 31 100 - 31 - ~8943=4, 2143/9888=3...(14) QD1 LEU 108 + HH2 TRP 88 OK 31 62 - 50 - 9916/2.4=15, ~10547=13...(12) QD1 ILE 136 + HH2 TRP 88 OK 22 98 - 23 - 8943/2.5=5, ~9665=4...(10) Peak 4708 from cnoeabs.peaks (1.13, 6.53, 121.14 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.89: QB ALA 105 + HZ3 TRP 88 OK 57 77 - 74 - 10215/5.9=24...(10) HG LEU 64 + HZ3 TRP 88 OK 57 92 - 62 - 4781/2.5=33...(8) HD2 LYS 123 + HZ3 TRP 88 OK 43 85 - 50 - ~10330=22, ~10331=10...(7) QG2 THR 18 - HZ3 TRP 88 poor 10 89 - 11 - 4781/2.5=6 Peak 4709 from cnoeabs.peaks (1.84, 6.93, 133.83 ppm; 4.82 A): 2 out of 4 assignments used, quality = 0.50: HB3 LEU 126 + QD TYR 112 OK 29 99 - 30 - ~9959=8, ~9493=6...(12) HB3 LYS 76 + QD TYR 112 OK 29 67 - 44 - 4.0/4655=10, ~2250=8...(11) HB2 LYS 93 - QD TYR 112 lone 6 100 - 6 - 8592/8551=1, 3032/8047=1 HB3 GLU 28 - QD TYR 112 lone 3 72 - 5 - Peak 4710 from cnoeabs.peaks (1.14, 6.93, 133.83 ppm; 4.94 A): 0 out of 2 assignments used, low quality = 0.15: HG LEU 64 - QD TYR 112 OK 15 100 - 15 - 2.1/4713=13, 1837/8717=1 QG2 THR 18 - QD TYR 112 lone 6 100 - 6 - 10865/8549=1 Peak 4711 from cnoeabs.peaks (0.98, 6.93, 133.83 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.82: QD1 LEU 116 + QD TYR 112 OK 74 96 - 77 - 10223/3.7=21, 9398=15...(18) HG12 ILE 136 + QD TYR 112 OK 32 94 - 34 - 9301/3.7=8, 9304/2.7=7...(11) HB2 LEU 39 - QD TYR 112 lone 6 99 - 6 - 9305/2.7=2, 8588/8551=1 Peak 4712 from cnoeabs.peaks (0.77, 6.93, 133.83 ppm; 4.33 A): 6 out of 6 assignments used, quality = 0.94: QG2 VAL 73 + QD TYR 112 OK 64 81 - 80 - 2.1/8551=38, 8553=35...(15) QD1 LEU 79 + QD TYR 112 OK 47 62 - 76 - 2.1/8717=30, ~11559=16...(14) QD1 ILE 136 + QD TYR 112 OK 35 85 - 41 - 2.1/4711=11, ~9304=7...(13) QD2 LEU 72 + QD TYR 112 OK 29 98 - 30 - 9948/8551=5, 2143/8457=4...(11) QD1 LEU 72 + QD TYR 112 OK 23 88 - 25 - 2177/8551=4, 2151/8457=3...(11) QD2 LEU 95 + QD TYR 112 OK 12 81 - 15 - 9978=2, 10183/2.7=2...(7) Peak 4713 from cnoeabs.peaks (0.62, 6.93, 133.83 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 79 + QD TYR 112 OK 85 100 - 85 - 8717=36, 11559/2.2=20...(19) QD2 LEU 64 + QD TYR 112 OK 34 72 - 47 - 2.1/4710=21, 9303/3.7=6...(12) Peak 4714 from cnoeabs.peaks (8.13, 7.31, 132.50 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.99: H TYR 115 + QD TYR 115 OK 99 99 - 100 - 4.5=100 H LEU 87 + QD TYR 115 OK 46 94 - 48 - 3839/2.5=10, 3831/3.7=10...(12) H HIS 14 - QD TYR 115 OK 41 68 - 60 - 3.6/4658=32, ~3840=6...(12) Peak 4715 from cnoeabs.peaks (4.63, 7.16, 118.50 ppm; 5.30 A): 6 out of 6 assignments used, quality = 0.82: HA LEU 87 + QE TYR 115 OK 40 93 - 44 - ~10284=9, 3.0/10283=8...(13) HA GLN 111 + QE TYR 115 OK 40 80 - 50 - 10179=17, 3.9/9347=14...(10) HA ASP 32 + QE TYR 115 OK 25 83 - 30 - 3.8/9345=8, 412/4.5=7...(6) HG1 THR 110 + QE TYR 115 OK 16 80 - 20 - 3.0/4721=6, ~4727=6, 7414/6.5=2 HA ARG 124 + QE TYR 115 OK 13 71 - 18 - 10342/4749=4...(7) HA ASP 16 + QE TYR 115 OK 11 93 - 11 - 152/4.5=2, ~4660=2...(5) Peak 4716 from cnoeabs.peaks (3.32, 7.16, 118.50 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.40: HB3 PHE 38 - QE TYR 115 OK 31 98 - 32 - 8521/9903=15...(4) HD3 ARG 109 - QE TYR 115 OK 12 61 - 19 - 8402/9907=6, ~10733=6...(4) Peak 4717 from cnoeabs.peaks (2.76, 7.16, 118.50 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.99: HE2 LYS 114 + QE TYR 115 OK 96 96 - 99 - 3.7/9358=41...(21) HE3 LYS 76 + QE TYR 115 OK 49 99 - 50 - 9347=7, 1.8/9347=7...(17) HE2 LYS 76 + QE TYR 115 OK 47 95 - 49 - 1.8/9347=7, 9347=7...(18) HG3 MET 113 - QE TYR 115 OK 42 61 - 69 - 3.7/10185=34...(13) HB3 ASP 40 - QE TYR 115 OK 22 83 - 27 - 3773/9358=3, 9347=3...(11) HB2 ASP 41 - QE TYR 115 OK 15 90 - 17 - 810/4716=3, 9347=2, 898/9311=2 HB2 ASN 54 - QE TYR 115 lone 5 66 - 7 - Peak 4718 from cnoeabs.peaks (1.75, 7.16, 118.50 ppm; 5.09 A): 4 out of 6 assignments used, quality = 0.59: HB3 ARG 35 + QE TYR 115 OK 25 71 - 35 - ~593=8, ~581=7...(8) HB2 PRO 12 + QE TYR 115 OK 24 96 - 25 - ~9771=7, 9769/2.2=6...(6) HB ILE 83 + QE TYR 115 OK 17 99 - 17 - 9997/9903=3, 2512/9907=3...(7) HG LEU 95 + QE TYR 115 OK 14 98 - 14 - 2.1/11416=4, 8736/8716=2...(4) HB2 ARG 49 - QE TYR 115 poor 8 66 - 12 - 3.7/9311=7, 1247/9311=2 HG3 ARG 140 - QE TYR 115 lone 4 61 - 6 - 1.8/9353=2 Peak 4719 from cnoeabs.peaks (1.64, 7.16, 118.50 ppm; 5.14 A): 3 out of 6 assignments used, quality = 0.92: HB2 LYS 114 + QE TYR 115 OK 70 71 - 99 - 2.9/9358=32...(25) HB2 PRO 57 + QE TYR 115 OK 62 75 - 82 - 1.8/10589=30...(17) HB3 LEU 26 + QE TYR 115 OK 31 99 - 31 - ~10549=7, ~10876=5...(8) HG3 LYS 34 - QE TYR 115 OK 23 87 - 26 - ~11171=5, 1.8/10281=3...(9) HD3 LYS 93 - QE TYR 115 OK 20 71 - 29 - 3.0/9354=4, 3.0/4748=2...(11) HD2 LYS 24 - QE TYR 115 OK 16 87 - 19 - 5.3/9345=3, 3.0/4720=3...(6) Peak 4720 from cnoeabs.peaks (1.41, 7.16, 118.50 ppm; 4.17 A): 3 out of 7 assignments used, quality = 0.95: HD2 LYS 114 + QE TYR 115 OK 88 93 - 95 - 9342=27, 1.8/9341=26...(28) HG LEU 116 + QE TYR 115 OK 41 75 - 55 - ~10220=13, 4.9/10287=11...(15) HG12 ILE 91 + QE TYR 115 OK 34 80 - 42 - 10642/4.5=7, ~4727=6...(17) HB2 ARG 35 - QE TYR 115 OK 31 83 - 37 - 1.8/4718=7, 593/2.2=6...(10) HG2 LYS 36 - QE TYR 115 OK 24 99 - 25 - 3.0/10814=9, ~10784=5...(6) HG3 LYS 93 - QE TYR 115 OK 23 99 - 23 - 9354=3, 3.0/9353=2...(11) HG2 LYS 24 - QE TYR 115 OK 21 99 - 21 - 4.0/9345=2, 10906/9342=2...(6) Peak 4721 from cnoeabs.peaks (1.04, 7.16, 118.50 ppm; 4.36 A): 4 out of 5 assignments used, quality = 0.95: HG3 LYS 114 + QE TYR 115 OK 63 66 - 96 - 1.8/9358=27, 2.9/9341=22...(27) HB2 LEU 116 + QE TYR 115 OK 55 99 - 56 - 4727/2.2=17...(15) QG2 VAL 53 + QE TYR 115 OK 50 61 - 83 - 2.1/8237=44, 9808=20...(12) HG13 ILE 91 + QE TYR 115 OK 41 87 - 47 - 4727/2.2=10, ~9359=7...(18) QG2 THR 110 - QE TYR 115 OK 38 90 - 42 - 4727/2.2=7, 10638/9341=6...(14) Peak 4722 from cnoeabs.peaks (0.88, 7.16, 118.50 ppm; 3.78 A): 4 out of 5 assignments used, quality = 0.69: QG2 ILE 136 + QE TYR 115 OK 27 99 - 28 - 4728/2.2=7, 9596/9570=3...(8) QG2 ILE 101 + QE TYR 115 OK 25 99 - 25 - 4728/2.2=5, 10431=5...(8) QD1 ILE 101 + QE TYR 115 OK 25 99 - 25 - 4728/2.2=6, 3.1/10431=4...(8) QG2 VAL 80 + QE TYR 115 OK 24 87 - 28 - 8756/9570=8, 4728/2.2=5...(7) QD1 LEU 97 - QE TYR 115 lone 8 98 - 8 - 4728/2.2=2, 9596/9570=1 Peak 4723 from cnoeabs.peaks (0.58, 7.16, 118.50 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 66 + QE TYR 115 OK 88 98 - 91 - 9903=35, 2.1/9907=28...(23) QD1 LEU 132 + QE TYR 115 OK 74 93 - 80 - 2.1/9570=44, 10295=26...(20) QG1 VAL 71 - QE TYR 115 OK 42 99 - 42 - 9367/4.5=6, 10218/4.5=6...(15) QG2 ILE 58 - QE TYR 115 OK 20 99 - 20 - 10271/10277=2...(8) Peak 4724 from cnoeabs.peaks (0.46, 7.16, 118.50 ppm; 6.39 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4725 from cnoeabs.peaks (2.38, 7.31, 132.50 ppm; 6.03 A): 2 out of 8 assignments used, quality = 0.97: HG2 MET 46 + QD TYR 115 OK 86 100 - 86 - ~8171=36, ~8171=26...(16) HB ILE 91 + QD TYR 115 OK 75 100 - 75 - ~10642=17, 3.0/9359=16...(20) HG3 MET 11 - QD TYR 115 OK 27 81 - 33 - ~10945=19, ~10946=6...(6) HG2 GLN 25 - QD TYR 115 OK 25 100 - 25 - 10532/378=5, ~9349=5...(8) HG3 GLU 37 - QD TYR 115 OK 16 100 - 16 - 4.4/6214=7, 9181/4728=3 HG3 MET 59 - QD TYR 115 OK 13 100 - 13 - 8374/9883=2, 9181/4728=2 HG2 MET 59 - QD TYR 115 OK 13 100 - 13 - 8374/9883=2, 9181/4728=2 HG3 GLN 25 - QD TYR 115 lone 6 62 - 9 - 8245/8236=1, 10585/9834=1 Peak 4726 from cnoeabs.peaks (1.44, 7.31, 132.50 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.99: HB3 LYS 114 + QD TYR 115 OK 96 100 - 97 - 10201=25, ~10259=21...(30) HB3 LEU 66 + QD TYR 115 OK 80 89 - 90 - 3.1/4750=20, ~9866=18...(23) HG2 LYS 48 - QD TYR 115 OK 32 96 - 33 - 10216/2.5=5, ~10814=5...(10) HB3 LYS 123 - QD TYR 115 OK 16 89 - 17 - 10216/2.5=3, ~4748=3...(5) Peak 4727 from cnoeabs.peaks (1.04, 7.31, 132.50 ppm; 4.56 A): 3 out of 3 assignments used, quality = 0.94: HB2 LEU 116 + QD TYR 115 OK 83 100 - 83 - 7442/4.8=18, ~9366=13...(26) HG13 ILE 91 + QD TYR 115 OK 47 77 - 61 - ~10642=12, 1.8/9359=10...(20) QG2 THR 110 + QD TYR 115 OK 33 98 - 34 - 10241/4.5=9, 9355/2.2=6...(12) Peak 4728 from cnoeabs.peaks (0.89, 7.31, 132.50 ppm; 4.51 A): 4 out of 5 assignments used, quality = 0.69: QG2 ILE 136 + QD TYR 115 OK 30 94 - 31 - 4722/2.2=10, ~10217=5...(9) QD1 ILE 101 + QD TYR 115 OK 28 99 - 28 - 4722/2.2=9, ~10431=5...(7) QG2 VAL 80 + QD TYR 115 OK 22 99 - 23 - 4722/2.2=9, 8755/4729=4...(4) QG2 ILE 101 + QD TYR 115 OK 22 94 - 23 - 4722/2.2=9, ~4722=5...(6) QD1 LEU 97 - QD TYR 115 lone 7 89 - 8 - 4722/2.2=3 Peak 4729 from cnoeabs.peaks (0.59, 7.31, 132.50 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.83: QD1 LEU 132 + QD TYR 115 OK 63 96 - 66 - ~9570=27, 10295/2.2=20...(13) QD1 ILE 56 + QD TYR 115 OK 33 99 - 34 - 9357/2.2=7, ~10431=7...(8) QG1 VAL 71 + QD TYR 115 OK 30 81 - 36 - 9368/4.5=7, 9357/2.2=6...(11) QG2 ILE 58 - QD TYR 115 poor 7 62 - 11 - ~9365=2, 9357/2.2=2, ~9367=1 Peak 4730 from cnoeabs.peaks (4.62, 6.56, 118.44 ppm; 5.12 A): 0 out of 4 assignments used, low quality = 0.21: HA ARG 124 - QE TYR 117 OK 21 93 - 23 - 10672/9981=5...(8) HA LEU 87 - QE TYR 117 poor 7 63 - 11 - 9592/10294=2...(5) HA HIS 10 - QE TYR 117 lone 4 73 - 5 - 9592/10294=1 HA ASP 16 - QE TYR 117 lone 4 98 - 4 - 151/9530=2 Peak 4731 from cnoeabs.peaks (0.61, 7.15, 132.91 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.51: QD2 LEU 79 + QD TYR 117 OK 51 67 - 77 - 8716=28, 9981/2.2=27...(12) QD1 ILE 56 - QD TYR 117 poor 8 75 - 11 - 9329/9310=3, 9410/2.2=2...(4) Peak 4732 from cnoeabs.peaks (0.37, 7.15, 132.91 ppm; 5.19 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4733 from cnoeabs.peaks (0.58, 6.56, 118.44 ppm; 5.01 A): 4 out of 4 assignments used, quality = 0.83: QD1 LEU 132 + QE TYR 117 OK 65 85 - 77 - 2.1/9571=43, 10294=36...(9) QD1 LEU 66 + QE TYR 117 OK 24 98 - 25 - ~11522=9, 9329/10189=7...(5) QG2 ILE 58 + QE TYR 117 OK 22 98 - 23 - 8272/8764=9, 3.1/9814=9...(4) QG1 VAL 71 + QE TYR 117 OK 16 96 - 17 - 8755/8764=5...(5) Peak 4734 from cnoeabs.peaks (0.37, 6.56, 118.44 ppm; 4.93 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4735 from cnoeabs.peaks (3.44, 6.32, 132.38 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.74: HA LEU 42 + QD TYR 119 OK 68 90 - 76 - 8165=43, 3.9/8160=32...(8) HB2 TYR 117 + QD TYR 119 OK 18 80 - 23 - ~11099=12, ~11100=6...(4) HD2 PRO 98 - QD TYR 119 lone 1 66 - 1 - Peak 4736 from cnoeabs.peaks (3.46, 6.24, 117.38 ppm; 5.32 A): 2 out of 3 assignments used, quality = 0.78: HB3 PHE 45 + QE TYR 119 OK 55 100 - 55 - 10831/2.2=24, 11502=23...(5) HA LEU 42 + QE TYR 119 OK 51 72 - 71 - 3.8/8162=39, 3.9/9433=30...(4) HB2 TYR 117 - QE TYR 119 lone 5 85 - 6 - 955/8162=2, 947/9433=2 Peak 4737 from cnoeabs.peaks (0.50, 6.32, 132.38 ppm; 5.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4738 from cnoeabs.peaks (2.67, 6.24, 117.38 ppm; 5.88 A): 0 out of 1 assignment used, low quality = 0.00: HB3 ASP 13 - QE TYR 119 lone 2 62 - 2 - Peak 4739 from cnoeabs.peaks (0.65, 6.96, 131.02 ppm; 5.39 A): 0 out of 2 assignments used, low quality = 0.40: QD1 LEU 126 - QD PHE 38 OK 29 74 - 40 - 9784/2.2=30, 11078/2.6=9 QD2 LEU 64 - QD PHE 38 OK 15 50 - 30 - 4.0/4556=3, ~1817=3...(15) Peak 4740 from cnoeabs.peaks (0.97, 6.22, 128.90 ppm; 4.31 A): 0 out of 4 assignments used, low quality = 0.19: HB2 LEU 39 - HZ PHE 38 OK 19 87 - 22 - ~8129=20 QD1 LEU 29 - HZ PHE 38 poor 9 76 - 12 - 4766/2.2=9, ~9783=2 HG3 ARG 35 - HZ PHE 38 poor 8 72 - 11 - 4766/2.2=6, ~9782=5 QG2 THR 51 - HZ PHE 38 lone 7 67 - 10 - 4766/2.2=7, 8214/11501=1 Peak 4741 from cnoeabs.peaks (0.30, 6.22, 128.90 ppm; 6.29 A): 1 out of 1 assignment used, quality = 0.46: QD2 LEU 42 + HZ PHE 38 OK 46 67 - 68 - ~8159=46, 4767/2.2=35 Peak 4742 from cnoeabs.peaks (2.08, 6.99, 129.99 ppm; 6.40 A): 6 out of 20 assignments used, quality = 0.93: HB2 LEU 26 + QE PHE 43 OK 76 97 - 79 - ~10883=35, ~10962=29...(8) HB2 LEU 26 + HZ PHE 67 OK 41 84 - 50 - ~10556=40, 3.1/10881=10 HG2 GLU 122 + HZ PHE 67 OK 20 85 - 24 - 10244=9, 3.0/10243=6...(4) HD2 ARG 49 + QE PHE 43 OK 20 94 - 21 - 1.8/9829=8, 10665=5...(4) HG2 PRO 118 + QE PHE 43 OK 11 77 - 15 - 2.3/11031=6, 3.8/4818=3 HB3 LYS 36 + QE PHE 43 OK 11 58 - 18 - ~8101=5, ~9779=4...(4) HB3 LYS 61 - QE PHE 43 lone 7 97 - 7 - 8332/4820=1 HB2 PRO 129 - QE PHE 43 lone 7 98 - 7 - 4.1/7627=2 HG2 GLU 122 - QE PHE 43 lone 7 97 - 7 - 1.8/10324=2 HD2 ARG 49 - HZ PHE 67 lone 6 81 - 8 - 10665=2 HB2 GLU 131 - QE PHE 43 lone 5 77 - 7 - HB3 LYS 61 - HZ PHE 67 lone 5 85 - 5 - HB2 PRO 129 - HZ PHE 67 lone 4 85 - 5 - 4.1/7627=1 HB3 GLN 62 - QE PHE 43 lone 4 90 - 5 - HG2 PRO 118 - HZ PHE 67 lone 4 63 - 6 - HB2 GLU 131 - HZ PHE 67 lone 4 63 - 6 - HG3 PRO 33 - QE PHE 43 lone 3 68 - 5 - HB3 GLN 62 - HZ PHE 67 lone 3 76 - 4 - HG3 PRO 33 - HZ PHE 67 lone 3 55 - 6 - ~1975=2 HB3 LYS 36 - HZ PHE 67 lone 3 47 - 5 - 680/5.8=2, 10784/7.8=1 Peak 4743 from cnoeabs.peaks (1.03, 6.99, 129.99 ppm; 4.20 A): 0 out of 4 assignments used, low quality = 0.39: HB2 LEU 116 - QE PHE 43 OK 27 92 - 29 - ~10687=11, 4816/2.2=6...(6) QG2 THR 110 - QE PHE 43 OK 17 98 - 18 - ~9277=7, 4816/2.2=5...(4) QG2 THR 110 - HZ PHE 67 lone 7 85 - 8 - 9278/7.8=5 HB2 LEU 116 - HZ PHE 67 lone 3 79 - 4 - Peak 4744 from cnoeabs.peaks (0.89, 6.99, 129.99 ppm; 4.24 A): 0 out of 10 assignments used, low quality = 0.10: QG2 ILE 136 - HZ PHE 67 OK 10 84 - 12 - 9665/3.8=6, 11232/7.8=2 QG2 ILE 136 - QE PHE 43 lone 7 97 - 7 - QG2 VAL 80 - QE PHE 43 lone 6 88 - 7 - 10908/10881=1, 11064/4755=1 QG2 ILE 101 - QE PHE 43 lone 5 97 - 5 - QD1 LEU 97 - QE PHE 43 lone 5 94 - 6 - 10908/10881=2, ~10598=2 QG2 VAL 80 - HZ PHE 67 lone 5 73 - 7 - 11232/7.8=2 QG2 ILE 101 - HZ PHE 67 lone 4 84 - 5 - 11232/7.8=1 QD1 ILE 101 - QE PHE 43 lone 4 98 - 4 - QD1 ILE 101 - HZ PHE 67 lone 4 85 - 4 - 11232/7.8=1 QD1 LEU 97 - HZ PHE 67 lone 3 81 - 4 - 10908/10881=1 Peak 4745 from cnoeabs.peaks (0.64, 6.99, 129.99 ppm; 4.23 A): 0 out of 4 assignments used, low quality = 0.15: QD1 LEU 126 - QE PHE 43 OK 15 98 - 16 - 4757/2.2=12, 8156/11224=1 QD2 LEU 64 - QE PHE 43 lone 4 90 - 5 - 8156/11224=2 QD2 LEU 64 - HZ PHE 67 lone 3 76 - 4 - 9883/7.8=1 QD1 LEU 126 - HZ PHE 67 lone 2 85 - 2 - 4757/4576=1 Peak 4746 from cnoeabs.peaks (0.28, 6.99, 129.99 ppm; 5.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4747 from cnoeabs.peaks (3.94, 7.48, 128.32 ppm; 6.54 A): 0 out of 7 assignments used, low quality = 0.44: HA3 GLY 94 - HD1 TRP 88 OK 16 61 - 26 - 11698/5.4=15, 8915/2.6=8 HD3 PRO 129 - HD1 TRP 88 OK 15 99 - 16 - 11698/5.4=7, 8915/2.6=5 HA LYS 48 - HD1 TRP 88 OK 11 75 - 15 - 8915/2.6=6, 11698/5.4=5 HA LEU 29 - HD1 TRP 88 OK 11 99 - 11 - 8915/2.6=3, 11698/5.4=3 HA ALA 60 - HD1 TRP 88 poor 8 61 - 14 - 8915/2.6=6, 11698/5.4=5 HA LYS 86 - HD1 TRP 88 lone 8 87 - 9 - 10011/11147=2...(4) HA2 GLY 143 - HD1 TRP 88 lone 4 90 - 4 - Peak 4748 from cnoeabs.peaks (1.51, 7.16, 118.50 ppm; 4.54 A): 4 out of 8 assignments used, quality = 0.92: HG3 PRO 57 + QE TYR 115 OK 71 99 - 72 - 1.8/10590=24...(9) HB2 LEU 29 + QE TYR 115 OK 53 87 - 61 - 3.2/9356=14...(13) QB ALA 135 + QE TYR 115 OK 27 90 - 30 - 10318/9570=7...(6) HB2 LYS 123 + QE TYR 115 OK 24 99 - 24 - 10248/5.7=8, 4111/9570=6...(6) HB2 GLU 122 - QE TYR 115 OK 19 95 - 20 - 11037/9570=7, 1.8/9351=3...(5) HG3 LYS 76 - QE TYR 115 OK 16 75 - 21 - 10092/9570=4, 3.9/8140=4...(6) HG2 LYS 93 - QE TYR 115 OK 13 75 - 18 - 1.8/9354=4, 3.0/9353=3...(5) HG3 LYS 85 - QE TYR 115 OK 10 96 - 10 - ~5659=1, ~4659=1 Peak 4749 from cnoeabs.peaks (0.65, 7.16, 118.50 ppm; 4.99 A): 0 out of 1 assignment used, low quality = 0.26: QD1 LEU 126 - QE TYR 115 OK 26 75 - 34 - 9362/2.2=14...(7) Peak 4750 from cnoeabs.peaks (0.66, 7.31, 132.50 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.92: QD2 LEU 66 + QD TYR 115 OK 84 89 - 95 - 11113/2.5=23...(27) QD2 LEU 39 + QD TYR 115 OK 43 92 - 47 - 8132=13, 11113/2.5=9...(18) QD1 ILE 83 + QD TYR 115 OK 10 62 - 17 - ~4718=3, 11111/4.5=2...(7) Peak 4751 from cnoeabs.peaks (2.09, 7.15, 132.91 ppm; 6.39 A): 4 out of 9 assignments used, quality = 0.93: HB3 LYS 36 + QD TYR 117 OK 78 93 - 85 - 10613/2.2=50...(7) HG2 PRO 118 + QD TYR 117 OK 34 87 - 39 - ~11703=23, 3.8/9425=7...(9) HB VAL 53 + QD TYR 117 OK 34 89 - 38 - 3.0/9807=10, 2.1/9808=8...(7) HG3 PRO 33 + QD TYR 117 OK 26 91 - 28 - 480/4.6=13, 3927/4.6=7...(5) HG2 PRO 33 - QD TYR 117 OK 21 85 - 25 - 472/4.6=12, 3927/4.6=7...(4) HB3 GLN 25 - QD TYR 117 OK 11 92 - 12 - 3935/4.6=4, 3927/4.6=4 HG2 GLU 122 - QD TYR 117 OK 10 53 - 19 - 1.8/9445=7, 9444=5...(5) HB2 GLU 131 - QD TYR 117 lone 7 87 - 8 - 10405/9955=3, 3935/4.6=1 HB3 GLU 142 - QD TYR 117 lone 4 91 - 4 - Peak 4752 from cnoeabs.peaks (6.73, 6.32, 132.38 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HZ PHE 43 - QD TYR 119 lone 2 71 - 2 - Peak 4753 from cnoeabs.peaks (7.20, 6.32, 132.38 ppm; 5.79 A): 3 out of 4 assignments used, quality = 0.49: HE3 TRP 88 + QD TYR 119 OK 25 99 - 25 - 10303/3.7=12...(4) H GLU 37 + QD TYR 119 OK 22 66 - 33 - 10303/3.7=10...(9) QD TYR 27 + QD TYR 119 OK 13 99 - 13 - 10303/3.7=5, 10304/4.0=4 H LYS 36 - QD TYR 119 lone 6 71 - 8 - 11225/11226=6 Peak 4755 from cnoeabs.peaks (0.01, 6.99, 129.99 ppm; 5.72 A): 2 out of 2 assignments used, quality = 0.67: QD1 LEU 39 + QE PHE 43 OK 55 73 - 75 - ~8130=39, 8125/2.2=22...(10) QD1 LEU 39 + HZ PHE 67 OK 27 59 - 47 - ~10940=17, 8115/5.8=9...(8) Peak 4756 from cnoeabs.peaks (1.05, 6.71, 127.93 ppm; 4.76 A): 4 out of 4 assignments used, quality = 0.86: QG2 VAL 53 + HZ PHE 43 OK 78 93 - 83 - 2.1/10634=41...(11) HB2 LEU 116 + HZ PHE 43 OK 21 80 - 26 - 3.2/10687=11, 4743/2.2=6...(7) HG13 ILE 91 + HZ PHE 43 OK 12 100 - 12 - 1395/10634=4...(4) HG3 LYS 114 + HZ PHE 43 OK 10 95 - 11 - 8111/8125=3...(4) Peak 4757 from cnoeabs.peaks (0.65, 6.71, 127.93 ppm; 5.25 A): 0 out of 1 assignment used, low quality = 0.11: QD1 LEU 126 - HZ PHE 43 OK 11 66 - 16 - 4745/2.2=14 Peak 4758 from cnoeabs.peaks (2.37, 7.21, 132.28 ppm; 5.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4759 from cnoeabs.peaks (0.53, 7.21, 132.28 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4760 from cnoeabs.peaks (4.75, 7.12, 130.89 ppm; 5.19 A): 0 out of 1 assignment used, low quality = 0.19: HA TYR 117 - QE PHE 45 OK 19 85 - 22 - 8158/10738=14, ~5582=4...(4) Peak 4764 from cnoeabs.peaks (6.22, 6.26, 131.02 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.65: * HZ PHE 38 + QE PHE 38 OK 65 65 - 100 - 2.2=100 Peak 4765 from cnoeabs.peaks (4.16, 6.26, 131.02 ppm; 5.68 A): 6 out of 10 assignments used, quality = 0.83: HA PHE 38 + QE PHE 38 OK 60 60 - 100 - 4.7=100 HA GLU 120 + QE PHE 38 OK 22 66 - 34 - 809/4.5=7, 800/4.5=7...(7) HA TRP 88 + QE PHE 38 OK 19 58 - 33 - 791/2.2=6, 790/4.5=6...(11) HB2 SER 44 + QE PHE 38 OK 13 65 - 21 - 809/4.5=4, 11500/4.5=4...(7) HB3 SER 44 + QE PHE 38 OK 13 65 - 21 - 809/4.5=4, 11500/4.5=4...(7) HA LEU 64 + QE PHE 38 OK 11 55 - 20 - 5556/2.2=4, 8507/11641=3...(8) HG1 THR 74 - QE PHE 38 lone 4 58 - 7 - 5556/2.2=2, 8507/11641=1 HA LYS 76 - QE PHE 38 lone 2 47 - 4 - 11053/4767=1, 800/4.5=1 HA3 GLY 125 - QE PHE 38 lone 1 53 - 2 - HA LEU 126 - QE PHE 38 lone 1 37 - 1 - Peak 4766 from cnoeabs.peaks (0.96, 6.26, 131.02 ppm; 5.07 A): 0 out of 3 assignments used, low quality = 0.12: QD1 LEU 29 - QE PHE 38 OK 12 65 - 19 - 4740/2.2=8, 863/8129=6 QG2 THR 51 - QE PHE 38 poor 10 62 - 16 - 4740/2.2=6, 11513/4.5=3...(5) HG3 ARG 35 - QE PHE 38 poor 8 63 - 13 - 4740/2.2=7, 8407/8397=2...(4) Peak 4767 from cnoeabs.peaks (0.30, 6.26, 131.02 ppm; 6.09 A): 1 out of 1 assignment used, quality = 0.57: QD2 LEU 42 + QE PHE 38 OK 57 62 - 92 - 2.1/8159=50, 3.8/8164=43...(9) Peak 4768 from cnoeabs.peaks (7.86, 6.90, 119.39 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.51: H TYR 119 + HD2 HIS 14 OK 38 98 - 39 - 3.9/4502=35, 10956/4.0=5 H PHE 38 + HD2 HIS 14 OK 21 64 - 32 - 10956/4.0=21, 11054/4.0=13 H ALA 135 - HD2 HIS 14 lone 5 94 - 5 - 3990/4502=3, 10956/4.0=1 Peak 4769 from cnoeabs.peaks (2.14, 7.22, 119.63 ppm; 5.86 A): 0 out of 5 assignments used, low quality = 0.33: HG2 GLN 111 - HE3 TRP 17 OK 33 92 - 36 - 3.5/4771=35 HG3 PRO 118 - HE3 TRP 17 lone 6 100 - 6 - 11550/4586=1 HG2 GLU 81 - HE3 TRP 17 lone 5 100 - 5 - HB2 GLN 133 - HE3 TRP 17 lone 2 96 - 3 - HB3 GLN 133 - HE3 TRP 17 lone 2 94 - 3 - Peak 4770 from cnoeabs.peaks (3.08, 7.22, 119.63 ppm; 6.71 A): 0 out of 7 assignments used, low quality = 0.22: HA TYR 119 - HE3 TRP 17 OK 22 96 - 23 - 9429/4.3=9, 10303=5...(5) HD3 ARG 49 - HE3 TRP 17 lone 9 100 - 9 - 9828/4586=2, 3.0/10228=1 HB3 TRP 88 - HE3 TRP 17 lone 6 89 - 7 - 4.0/10057=2 HE2 LYS 86 - HE3 TRP 17 lone 3 77 - 4 - HA2 GLY 78 - HE3 TRP 17 lone 3 99 - 3 - HE3 LYS 86 - HE3 TRP 17 lone 3 72 - 4 - HB3 ASP 30 - HE3 TRP 17 lone 3 89 - 3 - Peak 4771 from cnoeabs.peaks (6.88, 7.22, 119.63 ppm; 4.38 A): 0 out of 4 assignments used, low quality = 0.13: HE21 GLN 111 - HE3 TRP 17 OK 13 98 - 13 - 3.5/4769=12 HE22 GLN 47 - HE3 TRP 17 lone 2 100 - 2 - HZ PHE 23 - HE3 TRP 17 lone 1 100 - 1 - HE21 GLN 25 - HE3 TRP 17 lone 1 72 - 1 - Peak 4773 from cnoeabs.peaks (6.98, 6.98, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 4774 from cnoeabs.peaks (3.04, 6.98, 119.60 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.92: * HB2 HIS 10 + HD2 HIS 10 OK 88 88 - 100 - 4.0=100 HE2 LYS 34 + HD2 HIS 10 OK 26 77 - 33 - 4.6/8098=9, 6.2/8097=8...(6) HB2 PHE 67 + HD2 HIS 10 OK 12 100 - 12 - 1.8/10841=5...(3) HB3 ASP 65 - HD2 HIS 10 lone 7 100 - 7 - 10/4.0=2, 4/4.6=2 Peak 4775 from cnoeabs.peaks (4.57, 6.98, 119.60 ppm; 4.80 A): 0 out of 2 assignments used, low quality = 0.20: HA ASN 130 - HD2 HIS 10 OK 20 100 - 20 - 9533=9, 10287/10305=7...(4) HA MET 59 - HD2 HIS 10 lone 1 72 - 1 - Peak 4776 from cnoeabs.peaks (7.87, 6.98, 119.60 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.57: H PHE 38 + HD2 HIS 10 OK 57 100 - 57 - 11003/4.0=29, 6246=9...(11) Peak 4777 from cnoeabs.peaks (3.42, 6.90, 119.39 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.15: HD2 PRO 98 - HD2 HIS 14 OK 15 95 - 16 - 4.8/11424=14 HB3 TYR 112 - HD2 HIS 14 lone 4 86 - 4 - 9111/11424=1 Peak 4778 from cnoeabs.peaks (7.28, 6.77, 121.48 ppm; 5.23 A): 1 out of 3 assignments used, quality = 0.94: HZ2 TRP 17 + HZ3 TRP 17 OK 94 94 - 100 - 4.3=100 H PHE 67 - HZ3 TRP 17 OK 20 72 - 27 - 6.1/5521=12, 4534/2.4=5...(7) QE PHE 106 - HZ3 TRP 17 OK 11 99 - 10 - 5534/2.4=5, 5519/2.5=3 Peak 4779 from cnoeabs.peaks (4.15, 7.20, 120.15 ppm; 5.02 A): 0 out of 6 assignments used, low quality = 0.13: HA LYS 76 - HE3 TRP 88 OK 13 98 - 13 - 4.1/11063=6...(3) HB2 SER 44 - HE3 TRP 88 lone 4 72 - 5 - 8991/8993=1 HB3 SER 44 - HE3 TRP 88 lone 4 72 - 5 - 8991/8993=1 HA LEU 126 - HE3 TRP 88 lone 2 100 - 3 - HA GLU 131 - HE3 TRP 88 lone 2 99 - 2 - HA3 GLY 125 - HE3 TRP 88 lone 1 94 - 1 - Peak 4780 from cnoeabs.peaks (4.73, 7.20, 120.15 ppm; 5.30 A): 0 out of 3 assignments used, low quality = 0.00: HA LEU 116 - HE3 TRP 88 lone 8 100 - 8 - 11085/10304=3, 11110/10303=2 HA THR 51 - HE3 TRP 88 lone 1 92 - 1 - HA SER 127 - HE3 TRP 88 lone 1 81 - 1 - Peak 4781 from cnoeabs.peaks (1.14, 7.20, 120.15 ppm; 5.84 A): 1 out of 2 assignments used, quality = 0.53: HG LEU 64 + HE3 TRP 88 OK 53 100 - 53 - 10068/5.1=15...(10) QG2 THR 18 - HE3 TRP 88 lone 9 100 - 9 - 1820/4782=1, 4708/2.5=1 Peak 4782 from cnoeabs.peaks (0.91, 7.20, 120.15 ppm; 4.92 A): 4 out of 5 assignments used, quality = 0.64: HB2 LEU 64 + HE3 TRP 88 OK 32 81 - 39 - 3.0/4781=22, 3.0/11061=7...(5) QG1 VAL 63 + HE3 TRP 88 OK 24 100 - 24 - 10239/5.1=4, ~8946=2...(8) QG1 VAL 53 + HE3 TRP 88 OK 16 100 - 16 - 9838/5.0=5, 1395/8997=2...(6) QD2 LEU 29 + HE3 TRP 88 OK 16 94 - 17 - 8074/4781=5, 10239/5.1=2...(5) QG2 VAL 80 - HE3 TRP 88 lone 3 68 - 5 - 9220/10208=1, 10569/11066=1 Peak 4783 from cnoeabs.peaks (0.74, 7.20, 120.15 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 108 + HE3 TRP 88 OK 74 96 - 77 - 9916/2.5=36...(16) QD2 LEU 108 + HE3 TRP 88 OK 66 85 - 77 - ~9916=26, 10226=22...(16) QG2 VAL 73 + HE3 TRP 88 OK 34 62 - 55 - 8555/2.5=21, ~9919=16...(10) Peak 4784 from cnoeabs.peaks (4.81, 7.22, 119.63 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.99: HA TRP 17 + HE3 TRP 17 OK 99 99 - 100 - 4.8=100 HA ASN 54 - HE3 TRP 17 lone 6 85 - 7 - 175/4.2=2, 5508/5.1=2...(4) Peak 4785 from cnoeabs.peaks (7.21, 7.00, 124.28 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.81: HE3 TRP 17 + HH2 TRP 17 OK 81 81 - 100 - 4.3=100 QD PHE 45 - HH2 TRP 17 lone 5 62 - 9 - 2.2/5588=4, 4522/2.4=3 H GLU 37 - HH2 TRP 17 lone 5 89 - 5 - 4522/2.4=4 HE3 TRP 88 - HH2 TRP 17 lone 2 96 - 2 - QD TYR 27 - HH2 TRP 17 lone 1 98 - 1 - Peak 4786 from cnoeabs.peaks (5.44, 6.68, 118.75 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4788 from cnoeabs.peaks (4.75, 7.20, 132.95 ppm; 5.50 A): 0 out of 1 assignment used, low quality = 0.00: HA TYR 117 - QD TYR 27 poor 10 97 - 10 - 5.6/11177=8 Peak 4789 from cnoeabs.peaks (3.86, 6.68, 118.75 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.64: HA LYS 36 + QE TYR 27 OK 64 74 - 87 - 3.0/10614=24...(16) HA LEU 72 - QE TYR 27 lone 3 47 - 6 - 2104/8137=1, 11495/4791=1 Peak 4790 from cnoeabs.peaks (1.59, 6.68, 118.75 ppm; 6.16 A): 2 out of 9 assignments used, quality = 0.79: * HG3 LYS 36 + QE TYR 27 OK 75 78 - 97 - 3.8/4789=39...(20) HG3 LYS 48 + QE TYR 27 OK 14 55 - 26 - 2.9/10813=6, 695/4789=6...(7) HG3 ARG 109 - QE TYR 27 poor 9 59 - 16 - 2.8/4791=4, 652/4789=3...(5) HG2 ARG 144 - QE TYR 27 poor 6 51 - 12 - 652/4789=3, 677/10614=2...(4) HB2 LEU 79 - QE TYR 27 lone 6 74 - 8 - 721/11490=1, 677/10614=1 HD3 LYS 61 - QE TYR 27 lone 4 78 - 5 - HD2 LYS 61 - QE TYR 27 lone 4 78 - 5 - HG3 ARG 124 - QE TYR 27 lone 3 51 - 6 - HD3 LYS 85 - QE TYR 27 lone 3 43 - 7 - 652/4789=1, 677/10614=1 Peak 4791 from cnoeabs.peaks (1.37, 6.68, 118.75 ppm; 5.63 A): 4 out of 7 assignments used, quality = 0.66: HB3 LEU 39 + QE TYR 27 OK 37 80 - 45 - 3.0/4809=21, 4.3/8137=21...(4) HB VAL 82 + QE TYR 27 OK 23 78 - 30 - ~10000=8, ~9975=8...(7) HG LEU 132 + QE TYR 27 OK 19 80 - 24 - 2.1/4812=14, ~10295=5...(5) HG2 ARG 49 + QE TYR 27 OK 15 59 - 26 - 8195/4789=8, ~9826=7...(6) HB2 ARG 109 - QE TYR 27 poor 10 76 - 13 - 2.8/4811=3, 660/4789=2 HB2 LEU 69 - QE TYR 27 lone 5 69 - 7 - 6279/8137=2, 660/4789=1 HG2 LYS 86 - QE TYR 27 lone 1 43 - 3 - Peak 4792 from cnoeabs.peaks (7.81, 7.20, 132.95 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.94: H TYR 27 + QD TYR 27 OK 87 87 - 100 - 4.6=100 H LEU 26 + QD TYR 27 OK 39 58 - 68 - 3.9/6098=29, 290/2.6=13...(11) H SER 44 + QD TYR 27 OK 17 95 - 18 - 6340/11184=7, 297/2.6=3...(5) H GLY 94 + QD TYR 27 OK 17 97 - 17 - 283/3.7=3, 6102/5.0=3...(7) H THR 110 - QD TYR 27 poor 8 76 - 11 - 283/3.7=3, 290/2.6=2...(4) Peak 4793 from cnoeabs.peaks (4.50, 6.94, 131.64 ppm; 5.95 A): 0 out of 2 assignments used, low quality = 0.00: HA TYR 115 - QD PHE 23 lone 8 84 - 9 - 10214/9402=2...(3) HA ASP 13 - QD PHE 23 lone 3 87 - 3 - 10602/8491=2 Peak 4794 from cnoeabs.peaks (3.19, 6.94, 131.64 ppm; 5.04 A): 0 out of 5 assignments used, low quality = 0.34: HD2 ARG 144 - QD PHE 23 OK 19 99 - 19 - 4.0/10514=18 HD3 ARG 144 - QD PHE 23 OK 19 99 - 19 - 4.0/10514=18 HA VAL 73 - QD PHE 23 lone 9 98 - 9 - 8151/10736=3, 8461/8457=2 HD2 ARG 55 - QD PHE 23 lone 3 96 - 3 - 4889/10514=2 HD3 ARG 55 - QD PHE 23 lone 3 99 - 3 - 4889/10514=1 Peak 4795 from cnoeabs.peaks (2.86, 6.94, 131.64 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.11: HB2 CYS 121 - QD PHE 23 OK 11 75 - 15 - 8287/4797=9, 10933/4798=4 Peak 4796 from cnoeabs.peaks (0.61, 6.94, 131.64 ppm; 5.47 A): 0 out of 1 assignment used, low quality = 0.35: QD2 LEU 79 - QD PHE 23 OK 35 95 - 36 - 2.1/9962=18, 4.9/8670=9...(8) Peak 4797 from cnoeabs.peaks (0.55, 6.94, 131.64 ppm; 5.62 A): 0 out of 1 assignment used, low quality = 0.16: QD1 ILE 58 - QD PHE 23 OK 16 95 - 17 - 8287/4795=5...(7) Peak 4798 from cnoeabs.peaks (0.90, 6.94, 131.64 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.93: QG1 VAL 53 + QD PHE 23 OK 84 98 - 86 - 10635/2.2=49, ~10637=45...(7) QG1 VAL 63 + QD PHE 23 OK 45 96 - 47 - 10933/4795=13...(12) QG2 VAL 80 + QD PHE 23 OK 23 90 - 25 - 9984/10779=5...(9) QD2 LEU 29 - QD PHE 23 poor 9 71 - 13 - 8292/4797=3...(4) Peak 4799 from cnoeabs.peaks (1.20, 6.94, 131.64 ppm; 6.48 A): 2 out of 3 assignments used, quality = 0.75: HG13 ILE 56 + QD PHE 23 OK 50 99 - 50 - 3.2/10605=33...(4) HG12 ILE 56 + QD PHE 23 OK 50 99 - 50 - 3.2/10605=33...(4) HB3 LEU 108 - QD PHE 23 poor 9 75 - 12 - 280/10555=2...(5) Peak 4800 from cnoeabs.peaks (4.68, 6.61, 130.73 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HA ARG 55 - QE PHE 23 lone 2 80 - 2 - Peak 4803 from cnoeabs.peaks (0.90, 6.61, 130.73 ppm; 6.53 A): 2 out of 4 assignments used, quality = 0.80: QG1 VAL 53 + QE PHE 23 OK 75 92 - 82 - 2.1/10637=48...(3) QG1 VAL 63 + QE PHE 23 OK 20 91 - 22 - 4798/2.2=11...(4) QG2 VAL 80 - QE PHE 23 lone 8 84 - 10 - 4798/2.2=5, 11198/2.2=2 QD2 LEU 29 - QE PHE 23 lone 5 64 - 7 - 1399/10637=3, 4798/2.2=2 Peak 4804 from cnoeabs.peaks (5.41, 6.88, 129.56 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4806 from cnoeabs.peaks (2.25, 6.88, 129.56 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.00: HG2 MET 113 - HZ PHE 23 lone 4 91 - 4 - 9326/11196=2 HG2 GLU 37 - HZ PHE 23 lone 2 73 - 3 - HG3 GLU 90 - HZ PHE 23 lone 2 69 - 3 - Peak 4807 from cnoeabs.peaks (0.88, 6.88, 129.56 ppm; 6.70 A): 0 out of 6 assignments used, low quality = 0.14: QG2 ILE 101 - HZ PHE 23 OK 14 98 - 14 - 10430/3.8=9 QD1 LEU 97 - HZ PHE 23 lone 7 97 - 7 - 3.2/11424=3 QG2 ILE 136 - HZ PHE 23 lone 7 98 - 7 - 9683/11196=2, 9683/11196=1 QG2 VAL 80 - HZ PHE 23 lone 6 82 - 7 - 8755/11196=1, 4798/3.8=1 QD1 ILE 101 - HZ PHE 23 lone 6 98 - 6 - HB3 LEU 42 - HZ PHE 23 lone 1 59 - 2 - Peak 4809 from cnoeabs.peaks (3.14, 6.68, 118.75 ppm; 6.48 A): 1 out of 4 assignments used, quality = 0.46: HA LEU 39 + QE TYR 27 OK 46 80 - 58 - 3.6/8137=28...(4) HA VAL 80 - QE TYR 27 poor 8 66 - 12 - 9983/4812=3, 6277/8137=2...(6) HB2 TYR 70 - QE TYR 27 lone 5 78 - 7 - 6277/8137=3, 838/4791=1 HB2 TRP 17 - QE TYR 27 lone 2 62 - 3 - Peak 4810 from cnoeabs.peaks (6.93, 6.68, 118.75 ppm; 4.50 A): 0 out of 2 assignments used, low quality = 0.00: QD PHE 23 - QE TYR 27 poor 8 71 - 12 - 8047/6.6=9 QD TYR 112 - QE TYR 27 lone 4 80 - 6 - 8047/6.6=5 Peak 4811 from cnoeabs.peaks (1.58, 6.68, 118.75 ppm; 6.16 A): 2 out of 8 assignments used, quality = 0.70: HG3 LYS 36 + QE TYR 27 OK 66 69 - 97 - 3.8/4789=39...(20) HG3 ARG 109 + QE TYR 27 OK 12 71 - 17 - 2.8/4791=4, 652/4789=3...(5) HB2 LEU 66 - QE TYR 27 poor 8 43 - 20 - ~9903=5, ~9907=5...(6) HB2 LEU 79 - QE TYR 27 lone 5 62 - 8 - 721/11490=1, 677/10614=1 HG3 ARG 124 - QE TYR 27 lone 4 66 - 7 - HD3 LYS 85 - QE TYR 27 lone 4 59 - 7 - 652/4789=1, 677/10614=1 HD3 LYS 61 - QE TYR 27 lone 3 69 - 5 - HD2 LYS 61 - QE TYR 27 lone 3 69 - 4 - Peak 4812 from cnoeabs.peaks (0.59, 6.68, 118.75 ppm; 5.45 A): 0 out of 4 assignments used, low quality = 0.26: QG1 VAL 71 - QE TYR 27 OK 15 62 - 24 - ~4551=5, 2099/4.5=5...(8) QD1 LEU 132 - QE TYR 27 OK 14 76 - 18 - 10295/2.2=7, 2.1/4791=7 QD1 ILE 56 - QE TYR 27 poor 9 76 - 13 - 10603/6.6=5...(3) QG2 ILE 58 - QE TYR 27 lone 1 47 - 3 - Peak 4813 from cnoeabs.peaks (0.04, 6.70, 117.94 ppm; 6.37 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4814 from cnoeabs.peaks (4.18, 7.35, 131.53 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.91: HA PHE 43 + QD PHE 43 OK 72 72 - 100 - 3.1=100 HA PHE 67 + QD PHE 43 OK 47 88 - 54 - 984/2.7=9, ~1934=9...(12) HA CYS 121 + QD PHE 43 OK 39 100 - 40 - ~970=9, ~972=7, ~7499=6...(9) HG1 THR 74 - QD PHE 43 poor 9 62 - 14 - 4.1/8559=4, ~8618=3, ~8618=2 HA TRP 88 - QD PHE 43 poor 7 62 - 12 - ~2840=2, ~2830=2...(4) HA LEU 64 - QD PHE 43 lone 4 67 - 7 - ~11220=1, 9266/10225=1 Peak 4815 from cnoeabs.peaks (2.16, 7.35, 131.53 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.30: HB2 GLN 25 - QD PHE 43 OK 21 94 - 22 - 4.6/11212=10, ~200=4...(5) HG LEU 29 - QD PHE 43 OK 11 100 - 11 - 10833/10212=2, ~11220=2...(4) HB3 GLN 133 - QD PHE 43 lone 5 62 - 8 - ~9602=2, ~9602=2 Peak 4816 from cnoeabs.peaks (1.03, 7.35, 131.53 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.87: HB2 LEU 116 + QD PHE 43 OK 69 94 - 73 - 4743/2.2=25...(15) QG2 THR 110 + QD PHE 43 OK 58 100 - 58 - 3.2/9277=21, 4743/2.2=16...(8) Peak 4817 from cnoeabs.peaks (4.39, 6.71, 127.93 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.00: HA ASP 30 - HZ PHE 43 lone 6 93 - 6 - 10922/10634=3 HA PRO 57 - HZ PHE 43 lone 4 66 - 7 - 10427/4821=2, 10594/4821=1 HB THR 18 - HZ PHE 43 lone 2 76 - 3 - HA PRO 33 - HZ PHE 43 lone 2 61 - 3 - Peak 4818 from cnoeabs.peaks (4.27, 6.99, 129.99 ppm; 6.80 A): 0 out of 18 assignments used, low quality = 0.36: HA SER 138 - QE PHE 43 OK 17 97 - 18 - 9716/4.5=15 HA ARG 49 - QE PHE 43 OK 13 94 - 14 - 5.2/9829=6, 5.2/10665=4 HA3 GLY 78 - QE PHE 43 OK 11 73 - 15 - 10253/4745=9, ~6836=3 HA PRO 118 - QE PHE 43 poor 9 68 - 13 - 2.3/11031=7, 3.8/4742=2 HA ARG 140 - QE PHE 43 lone 8 84 - 9 - 3.0/11031=4, 10329/4744=1 HA LEU 95 - QE PHE 43 lone 7 96 - 8 - 10253/4745=3, 9062/4.5=1 HA ALA 135 - QE PHE 43 lone 7 92 - 7 - 4.9/11217=4 HB THR 99 - QE PHE 43 lone 5 97 - 5 - HA ARG 49 - HZ PHE 67 lone 4 81 - 5 - 5.2/10665=2 HB THR 99 - HZ PHE 67 lone 4 85 - 4 - HA2 GLY 50 - QE PHE 43 lone 4 94 - 4 - HA ARG 140 - HZ PHE 67 lone 3 70 - 5 - 10329/4744=2 HA LEU 95 - HZ PHE 67 lone 3 82 - 4 - HA ALA 135 - HZ PHE 67 lone 3 79 - 4 - HA PRO 118 - HZ PHE 67 lone 3 55 - 5 - 10329/4744=1 HA3 GLY 78 - HZ PHE 67 lone 3 59 - 4 - 10253/4745=1 HA2 GLY 50 - HZ PHE 67 lone 3 81 - 3 - HA SER 138 - HZ PHE 67 lone 2 84 - 3 - Peak 4820 from cnoeabs.peaks (0.56, 6.99, 129.99 ppm; 6.29 A): 4 out of 6 assignments used, quality = 0.58: QD1 LEU 66 + QE PHE 43 OK 27 63 - 42 - 4821/2.2=16, ~10602=8...(9) QD1 ILE 58 + QE PHE 43 OK 26 96 - 27 - ~4821=9, 4821/2.2=7...(8) QG2 ILE 58 + QE PHE 43 OK 13 53 - 24 - 4821/2.2=11, ~4821=6 QD1 LEU 66 + HZ PHE 67 OK 10 51 - 20 - 1913/7.8=7, 2.1/11221=4...(7) QD1 ILE 58 - HZ PHE 67 poor 9 82 - 11 - 3.1/11222=1, 9421/9429=1 QG2 ILE 58 - HZ PHE 67 lone 4 43 - 10 - 10572/10881=3...(3) Peak 4821 from cnoeabs.peaks (0.57, 6.71, 127.93 ppm; 6.12 A): 3 out of 4 assignments used, quality = 0.63: QD1 LEU 66 + HZ PHE 43 OK 39 93 - 41 - 4820/2.2=10, 2.1/10602=9...(9) QG2 ILE 58 + HZ PHE 43 OK 27 88 - 31 - 10572/10962=15, ~4820=8...(6) QD1 ILE 58 + HZ PHE 43 OK 18 80 - 23 - 4820/2.2=10, ~4820=4...(6) QG1 VAL 71 - HZ PHE 43 lone 5 71 - 6 - ~8525=3 Peak 4822 from cnoeabs.peaks (2.06, 7.21, 132.28 ppm; 6.53 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4824 from cnoeabs.peaks (1.93, 7.12, 130.89 ppm; 6.52 A): 4 out of 10 assignments used, quality = 0.93: HB3 GLU 122 + QE PHE 45 OK 77 80 - 96 - 10321=47, 10246/2.2=35...(14) HB2 PRO 118 + QE PHE 45 OK 42 52 - 81 - 1.8/10301=44...(9) HG2 PRO 12 + QE PHE 45 OK 27 72 - 38 - ~11254=16, 11254/2.2=15...(4) HB3 PRO 52 + QE PHE 45 OK 25 86 - 29 - 1363/4.4=7, 11230/2.2=5...(8) HG2 PRO 52 - QE PHE 45 OK 23 85 - 27 - 1371/4.4=5, 11230/2.2=5...(8) HG3 PRO 12 - QE PHE 45 OK 22 60 - 37 - ~11254=16, 11254/2.2=15...(5) HB3 LEU 132 - QE PHE 45 poor 9 64 - 14 - 3989/9428=3...(4) HB2 ARG 140 - QE PHE 45 poor 9 75 - 11 - 3952/11550=2...(4) HB2 ARG 89 - QE PHE 45 lone 8 86 - 9 - 3957/10301=2, 3973/11550=1 HB2 GLN 62 - QE PHE 45 lone 3 72 - 5 - Peak 4825 from cnoeabs.peaks (2.08, 7.12, 130.89 ppm; 6.80 A): 4 out of 13 assignments used, quality = 0.99: HG2 GLU 122 + QE PHE 45 OK 80 82 - 98 - 3.0/10321=50...(15) HG2 PRO 118 + QE PHE 45 OK 71 84 - 85 - 1.8/11550=48...(11) HD2 ARG 49 + QE PHE 45 OK 55 60 - 91 - 2.9/11682=48...(9) HB3 LYS 36 + QE PHE 45 OK 46 75 - 61 - ~704=15, ~657=15...(12) HB2 GLU 131 - QE PHE 45 OK 22 84 - 26 - ~10401=8, ~4826=7...(6) HG3 PRO 33 - QE PHE 45 OK 16 80 - 19 - 3975/11550=4...(5) HB2 PRO 129 - QE PHE 45 OK 11 80 - 13 - 11687/11682=5...(4) HB3 LYS 61 - QE PHE 45 poor 9 72 - 13 - 4077/10321=3...(4) HB3 GLN 25 - QE PHE 45 poor 7 56 - 12 - ~10716=2, 11687/11682=2...(4) HB2 LEU 26 - QE PHE 45 lone 6 68 - 9 - 4077/10321=1...(3) HB VAL 53 - QE PHE 45 lone 4 48 - 9 - 3959/10301=2, 3975/11550=2 HB3 GLN 62 - QE PHE 45 lone 3 52 - 5 - HB3 GLU 142 - QE PHE 45 lone 2 52 - 4 - Peak 4826 from cnoeabs.peaks (4.15, 7.01, 129.36 ppm; 6.80 A): 4 out of 8 assignments used, quality = 0.77: HA GLU 120 + HZ PHE 45 OK 37 88 - 42 - 4.9/9429=24, ~9441=19 HA GLU 131 + HZ PHE 45 OK 33 81 - 41 - 3.0/10399=28...(4) HB3 SER 44 + HZ PHE 45 OK 26 96 - 27 - 10729/3.8=13, 1010/7.9=13 HB2 SER 44 + HZ PHE 45 OK 26 96 - 27 - 10729/3.8=13, 1010/7.9=13 HA LYS 76 - HZ PHE 45 lone 5 100 - 5 - 7649/10399=1 HA LEU 126 - HZ PHE 45 lone 5 98 - 5 - 7649/10399=1 HA3 GLY 125 - HZ PHE 45 lone 3 100 - 3 - HA PHE 38 - HZ PHE 45 lone 2 62 - 3 - Peak 4827 from cnoeabs.peaks (3.08, 7.01, 129.36 ppm; 6.47 A): 2 out of 5 assignments used, quality = 0.99: HD3 ARG 49 + HZ PHE 45 OK 93 100 - 93 - ~9804=43, 9828/2.2=42...(9) HA TYR 119 + HZ PHE 45 OK 85 100 - 85 - 9428/2.2=37, 9429=31...(13) HA2 GLY 78 - HZ PHE 45 OK 12 100 - 12 - 10835/2.2=4...(4) HB3 TRP 88 - HZ PHE 45 lone 6 72 - 9 - 10835/2.2=2, 4.2/4589=2 HB3 ASP 30 - HZ PHE 45 lone 3 72 - 5 - Peak 4828 from cnoeabs.peaks (1.92, 7.01, 129.36 ppm; 6.80 A): 3 out of 12 assignments used, quality = 0.96: HB2 PRO 118 + HZ PHE 45 OK 86 99 - 87 - ~10301=42, ~11550=37...(10) HG3 PRO 12 + HZ PHE 45 OK 47 96 - 49 - 3.8/11253=28, 11254=10...(5) HG2 PRO 12 + HZ PHE 45 OK 43 88 - 49 - 3.8/11253=28, 11254=10...(5) QE MET 68 - HZ PHE 45 OK 12 85 - 14 - ~1983=4, 1991/2.2=3...(4) HB3 LEU 132 - HZ PHE 45 lone 8 94 - 9 - 10838/2.2=2, 10984/4827=1 HG13 ILE 83 - HZ PHE 45 lone 8 99 - 8 - 72/11253=2, 10984/4827=1 HB ILE 136 - HZ PHE 45 lone 7 98 - 7 - 10838/2.2=2 HB2 LYS 86 - HZ PHE 45 lone 5 100 - 5 - HB2 MET 59 - HZ PHE 45 lone 5 100 - 5 - 10461/10649=1 HB2 ARG 140 - HZ PHE 45 lone 5 85 - 6 - 9426/2.2=1 HB3 LEU 69 - HZ PHE 45 lone 4 77 - 6 - 10461/10649=2 HB2 GLN 62 - HZ PHE 45 lone 4 88 - 4 - Peak 4829 from cnoeabs.peaks (7.51, 7.08, 133.19 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.00: H ILE 91 - QD TYR 70 lone 2 62 - 3 - HE22 GLN 25 - QD TYR 70 lone 2 62 - 2 - Peak 4830 from cnoeabs.peaks (7.25, 7.13, 131.28 ppm; 2.81 A): 0 out of 2 assignments used, low quality = 0.36: ! HZ PHE 106 - QD PHE 106 OK 36 73 - 49 - 3.8=41, 3434/2.5=5...(4) HZ PHE 106 - QE PHE 45 lone 3 37 - 7 - 2.2/4645=4, 4648=2 Peak 4831 from cnoeabs.peaks (7.25, 7.28, 131.44 ppm; 2.59 A): 1 out of 1 assignment used, quality = 0.98: * HZ PHE 106 + QE PHE 106 OK 98 98 - 100 - 2.2=100 Peak 4833 from cnoeabs.peaks (1.04, 7.28, 131.44 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.32: QG2 THR 110 - QE PHE 106 OK 32 88 - 36 - 9278=34 HB2 LEU 116 - QE PHE 106 lone 8 97 - 9 - 3868/9278=3, ~10720=3 HG3 LYS 114 - QE PHE 106 poor 7 64 - 12 - 10204/2.2=5, ~10261=3 QG2 VAL 53 - QE PHE 106 lone 5 59 - 9 - ~9230=4, ~9807=2 HG13 ILE 91 - QE PHE 106 lone 2 85 - 3 - Peak 4834 from cnoeabs.peaks (0.14, 7.28, 131.44 ppm; 6.09 A): 0 out of 0 assignments used, low quality = 0.00: Peak 6002 from nnoeabs.peaks (8.35, 8.35, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 13 + H ASP 13 OK 100 100 - 100 Peak 6003 from nnoeabs.peaks (4.33, 8.35, 119.98 ppm; 2.75 A): 2 out of 3 assignments used, quality = 0.76: * HA PRO 12 + H ASP 13 OK 69 100 - 69 - 3.5=47, 2.3/6005=12...(9) HA TYR 70 + H ASP 13 OK 22 100 - 22 - 9937/3.9=7, 10602/2.9=5...(5) HA ILE 56 - H ASP 13 lone 3 62 - 4 - 10602/2.9=2 Peak 6004 from nnoeabs.peaks (1.76, 8.35, 119.98 ppm; 3.79 A): 1 out of 5 assignments used, quality = 0.97: * HB2 PRO 12 + H ASP 13 OK 97 100 - 97 - 3.9=90, 2.3/75=38...(9) HG LEU 95 - H ASP 13 OK 17 100 - 17 - 85/3.9=6, 69/3.5=6...(6) HB ILE 83 - H ASP 13 OK 16 96 - 17 - 69/3.5=6, 85/3.9=6...(5) HB3 ARG 35 - H ASP 13 lone 5 89 - 6 - 69/3.5=2, 85/3.9=2 HG LEU 39 - H ASP 13 lone 1 68 - 2 - Peak 6005 from nnoeabs.peaks (2.22, 8.35, 119.98 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.99: * HB3 PRO 12 + H ASP 13 OK 99 100 - 99 - 3.9=97, 2.3/75=39...(9) HB2 GLU 28 - H ASP 13 OK 15 100 - 15 - 70/3.5=6, 78/3.9=6...(4) HG2 GLU 28 - H ASP 13 OK 14 99 - 14 - 70/3.5=5, 78/3.9=5...(4) Peak 6006 from nnoeabs.peaks (1.92, 8.35, 119.98 ppm; 3.88 A): 2 out of 13 assignments used, quality = 0.96: * HG2 PRO 12 + H ASP 13 OK 80 100 - 80 - 3.8/75=26, 2.3/6005=26...(9) HG3 PRO 12 + H ASP 13 OK 78 100 - 79 - 3.8/75=26, 2.3/6005=26...(9) HB3 LEU 132 - H ASP 13 OK 13 100 - 13 - 8021/3.8=2, 79/3.9=2...(7) HB2 PRO 118 - H ASP 13 OK 12 99 - 12 - 4.3/10955=3, ~8006=2...(5) HG13 ILE 83 - H ASP 13 OK 12 81 - 15 - 3.0/6004=4, 2532/3.9=3...(4) HB3 PRO 52 - H ASP 13 poor 10 77 - 13 - 80/3.9=3, 88/3.9=3...(4) HG2 PRO 52 - H ASP 13 poor 9 72 - 12 - 80/3.9=3, 88/3.9=3...(4) HB2 GLN 62 - H ASP 13 lone 8 100 - 8 - 3.0/11053=3, ~8006=1 HB2 LYS 86 - H ASP 13 lone 7 89 - 8 - 88/3.9=2, 80/3.9=2, 72/3.5=1 HB2 ARG 140 - H ASP 13 lone 5 100 - 5 - HB ILE 136 - H ASP 13 lone 5 72 - 6 - 71/3.5=1, 79/3.9=1, 87/3.9=1 HB2 MET 59 - H ASP 13 lone 3 96 - 3 - HB2 ARG 89 - H ASP 13 lone 2 92 - 2 - Peak 6007 from nnoeabs.peaks (1.92, 8.35, 119.98 ppm; 3.88 A): 2 out of 13 assignments used, quality = 0.96: HG2 PRO 12 + H ASP 13 OK 79 100 - 80 - 3.8/75=26, 2.3/6005=26...(9) * HG3 PRO 12 + H ASP 13 OK 79 100 - 79 - 3.8/75=26, 2.3/6005=26...(9) HG13 ILE 83 - H ASP 13 OK 14 89 - 15 - 3.0/6004=4, 2532/3.9=4...(4) HB2 PRO 118 - H ASP 13 OK 12 100 - 12 - 4.3/10955=3, ~8006=2...(5) HB3 LEU 132 - H ASP 13 OK 12 100 - 12 - 8021/3.8=2, 79/3.9=2...(7) HB3 PRO 52 - H ASP 13 poor 9 68 - 13 - 80/3.9=3, 88/3.9=3...(4) HB2 LYS 86 - H ASP 13 lone 8 94 - 8 - 88/3.9=2, 80/3.9=2, 72/3.5=1 HB2 GLN 62 - H ASP 13 lone 7 100 - 7 - 3.0/11053=3, ~8006=1 HG2 PRO 52 - H ASP 13 poor 7 62 - 12 - 80/3.9=3, 88/3.9=3...(4) HB ILE 136 - H ASP 13 lone 5 81 - 6 - 71/3.5=1, 79/3.9=1, 87/3.9=1 HB2 ARG 140 - H ASP 13 lone 5 99 - 5 - HB2 MET 59 - H ASP 13 lone 3 99 - 3 - HB2 ARG 89 - H ASP 13 lone 2 85 - 2 - Peak 6008 from nnoeabs.peaks (3.58, 8.35, 119.98 ppm; 5.74 A): 1 out of 1 assignment used, quality = 0.93: * HD2 PRO 12 + H ASP 13 OK 93 100 - 93 - 3.6/75=44, 3.0/6005=37...(9) Peak 6009 from nnoeabs.peaks (3.65, 8.35, 119.98 ppm; 5.74 A): 2 out of 3 assignments used, quality = 0.95: * HD3 PRO 12 + H ASP 13 OK 93 100 - 93 - 3.6/75=44, 1.8/6008=41...(8) HA THR 92 + H ASP 13 OK 31 96 - 33 - 74/3.5=11, 82/3.9=10...(4) HA2 GLY 94 - H ASP 13 OK 20 89 - 22 - 82/3.9=7, 90/3.9=7...(4) Peak 6010 from nnoeabs.peaks (4.49, 8.35, 119.98 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 13 + H ASP 13 OK 100 100 - 100 - 2.9=100 Peak 6011 from nnoeabs.peaks (2.52, 8.35, 119.98 ppm; 3.20 A): 1 out of 2 assignments used, quality = 0.74: * HB2 ASP 13 + H ASP 13 OK 74 100 - 74 - 3.8=61, 1.8/118=20...(4) HG3 MET 68 - H ASP 13 lone 2 72 - 2 - Peak 6012 from nnoeabs.peaks (2.68, 8.35, 119.98 ppm; 3.26 A): 3 out of 6 assignments used, quality = 0.89: * HB3 ASP 13 + H ASP 13 OK 79 100 - 79 - 3.8=64, 1.8/6011=35...(4) HB3 TYR 115 + H ASP 13 OK 38 98 - 39 - 118=10, ~4658=9...(8) HB2 ASP 32 + H ASP 13 OK 10 92 - 11 - 3.0/11053=8, 111/2.9=2 HB3 ASP 16 - H ASP 13 lone 5 77 - 6 - 4.6/10955=5 HB2 ASP 137 - H ASP 13 lone 4 85 - 5 - 4.5/10954=2, 4656/4.6=1 HB2 PHE 43 - H ASP 13 lone 2 100 - 2 - Peak 6014 from nnoeabs.peaks (8.14, 8.14, 120.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 14 + H HIS 14 OK 100 100 - 100 Peak 6016 from nnoeabs.peaks (4.49, 8.14, 120.18 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 13 + H HIS 14 OK 100 100 - 100 - 3.6=100 Peak 6017 from nnoeabs.peaks (2.52, 8.14, 120.18 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 13 + H HIS 14 OK 100 100 - 100 - 4.5=100 HG3 MET 68 - H HIS 14 lone 4 72 - 5 - 110/3.6=1, 9385/9406=1 Peak 6018 from nnoeabs.peaks (2.68, 8.14, 120.18 ppm; 4.99 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASP 13 + H HIS 14 OK 100 100 - 100 - 4.5=100 HB3 TYR 115 + H HIS 14 OK 57 98 - 58 - 111/3.6=13, 2.9/6019=12...(11) HB2 ASP 137 - H HIS 14 OK 20 85 - 23 - 1.8/4662=5, 3.0/4647=4...(7) HB2 ASP 32 - H HIS 14 lone 9 92 - 10 - 111/3.6=3, 6012/4.6=3 HB2 PHE 43 - H HIS 14 lone 6 100 - 6 - 111/3.6=1 HB3 ASP 16 - H HIS 14 lone 3 77 - 4 - 6012/4.6=1 Peak 6019 from nnoeabs.peaks (4.52, 8.14, 120.18 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 14 + H HIS 14 OK 100 100 - 100 - 3.0=100 HA TYR 115 - H HIS 14 OK 39 96 - 40 - 2.9/122=7, 136/3.9=5...(14) Peak 6020 from nnoeabs.peaks (2.93, 8.14, 120.18 ppm; 6.57 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 14 + H HIS 14 OK 100 100 - 100 - 3.9=100 HE2 LYS 61 - H HIS 14 OK 44 92 - 48 - 9858/3.6=12, 125/3.0=8...(9) HE3 LYS 61 - H HIS 14 OK 43 92 - 47 - 9858/3.6=11, ~126=8...(9) HB3 ASN 130 - H HIS 14 lone 5 89 - 6 - 137/3.9=1 HD2 ARG 35 - H HIS 14 lone 5 62 - 7 - 4.8/11627=3, 3.8/11624=2 HE3 LYS 93 - H HIS 14 lone 2 72 - 3 - Peak 6021 from nnoeabs.peaks (2.99, 8.14, 120.18 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 14 + H HIS 14 OK 100 100 - 100 - 3.9=100 HB2 ASP 30 - H HIS 14 lone 7 72 - 9 - 4503/5.8=3, 125/3.0=1, 137/3.9=1 HB3 ASN 128 - H HIS 14 lone 5 96 - 5 - HA VAL 82 - H HIS 14 lone 4 89 - 4 - Peak 6024 from nnoeabs.peaks (8.46, 8.46, 108.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 15 + H GLY 15 OK 100 100 - 100 Peak 6030 from nnoeabs.peaks (3.75, 8.46, 108.80 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 15 + H GLY 15 OK 100 100 - 100 - 3.0=100 * HA2 GLY 15 + H GLY 15 OK 100 100 - 100 - 3.0=100 QA GLY 2 - H GLY 15 lone 1 99 - 1 - Peak 6031 from nnoeabs.peaks (3.75, 8.46, 108.80 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 15 + H GLY 15 OK 100 100 - 100 - 3.0=100 HA2 GLY 15 + H GLY 15 OK 100 100 - 100 - 3.0=100 QA GLY 2 - H GLY 15 lone 1 100 - 1 - Peak 6033 from nnoeabs.peaks (8.10, 8.10, 119.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 16 + H ASP 16 OK 100 100 - 100 Peak 6034 from nnoeabs.peaks (8.46, 8.10, 119.94 ppm; 6.74 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 15 + H ASP 16 OK 100 100 - 100 - 4.6=100 H ASP 137 - H ASP 16 OK 11 89 - 12 - 3.8/6039=4, 145/3.5=2, 145/3.5=2 H LYS 123 - H ASP 16 lone 5 94 - 5 - 145/3.5=2, 145/3.5=2 Peak 6035 from nnoeabs.peaks (3.75, 8.10, 119.94 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 15 + H ASP 16 OK 100 100 - 100 - 3.5=100 * HA2 GLY 15 + H ASP 16 OK 100 100 - 100 - 3.5=100 QA GLY 2 - H ASP 16 lone 2 99 - 2 - 10605/3.0=1 Peak 6036 from nnoeabs.peaks (3.75, 8.10, 119.94 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 15 + H ASP 16 OK 100 100 - 100 - 3.5=100 HA2 GLY 15 + H ASP 16 OK 100 100 - 100 - 3.5=100 QA GLY 2 - H ASP 16 lone 2 100 - 2 - 10605/3.0=1 Peak 6037 from nnoeabs.peaks (4.62, 8.10, 119.94 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 16 + H ASP 16 OK 100 100 - 100 - 3.0=100 HA ARG 124 - H ASP 16 OK 20 96 - 21 - 155/4.0=4, 149=3...(7) HA LEU 87 - H ASP 16 lone 1 68 - 2 - HA HIS 10 - H ASP 16 lone 1 77 - 1 - Peak 6038 from nnoeabs.peaks (2.55, 8.10, 119.94 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.92: * HB2 ASP 16 + H ASP 16 OK 92 100 - 92 - 4.0=88, 1.8/159=36 HG3 MET 68 - H ASP 16 lone 1 62 - 2 - Peak 6039 from nnoeabs.peaks (2.70, 8.10, 119.94 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASP 16 + H ASP 16 OK 100 100 - 100 - 4.0=100 HB2 ASP 137 - H ASP 16 lone 10 100 - 9 - 4652/4.6=3, 152/3.0=2...(4) HB3 TYR 115 - H ASP 16 lone 9 94 - 9 - 159=3, 152/3.0=3...(4) HB2 ASP 32 - H ASP 16 lone 6 99 - 6 - 415/3.0=2, ~419=1, 157/4.0=1 HB2 PHE 43 - H ASP 16 lone 6 81 - 7 - 152/3.0=2, ~152=2, 157/4.0=1 HB3 ASP 13 - H ASP 16 lone 2 77 - 3 - 6045/4.6=1 HB3 CYS 121 - H ASP 16 lone 1 77 - 1 - Peak 6040 from nnoeabs.peaks (7.84, 8.10, 119.94 ppm; 5.15 A): 1 out of 5 assignments used, quality = 1.00: * H TRP 17 + H ASP 16 OK 100 100 - 100 - 4.6=100 H LEU 26 - H ASP 16 OK 11 81 - 14 - 5.3/11468=9, 10961/4.0=2...(4) H ARG 55 - H ASP 16 lone 4 100 - 3 - H ALA 135 - H ASP 16 lone 4 68 - 5 - 7737/4.6=3 H THR 110 - H ASP 16 lone 2 62 - 4 - Peak 6041 from nnoeabs.peaks (7.84, 7.84, 121.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 17 + H TRP 17 OK 100 100 - 100 Peak 6042 from nnoeabs.peaks (8.10, 7.84, 121.56 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 16 + H TRP 17 OK 100 100 - 100 - 4.6=100 Peak 6043 from nnoeabs.peaks (4.62, 7.84, 121.56 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 16 + H TRP 17 OK 100 100 - 100 - 3.6=100 HA ARG 124 - H TRP 17 OK 12 96 - 12 - 155/4.6=3, 6037/4.6=3...(4) HA LEU 87 - H TRP 17 lone 1 68 - 1 - HA HIS 10 - H TRP 17 lone 1 77 - 1 - Peak 6044 from nnoeabs.peaks (2.55, 7.84, 121.56 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 16 + H TRP 17 OK 100 100 - 100 - 4.6=100 HG3 MET 68 - H TRP 17 lone 2 62 - 3 - Peak 6045 from nnoeabs.peaks (2.70, 7.84, 121.56 ppm; 5.96 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASP 16 + H TRP 17 OK 100 100 - 100 - 4.6=100 HB3 ASP 13 - H TRP 17 OK 17 77 - 22 - 3.8/10955=19 HB3 TYR 115 - H TRP 17 OK 13 94 - 13 - 152/3.6=3, 6039/4.6=3...(5) HB2 ASP 137 - H TRP 17 OK 11 100 - 11 - 10351/3.6=4, 6039/4.6=3 HB2 PHE 43 - H TRP 17 OK 11 81 - 13 - 2.7/11212=3, 152/3.6=2...(6) HB2 ASP 32 - H TRP 17 lone 9 99 - 9 - 415/3.6=3, 6039/4.6=2, 157/4.6=2 HB3 CYS 121 - H TRP 17 lone 2 77 - 2 - Peak 6046 from nnoeabs.peaks (4.81, 7.84, 121.56 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 17 + H TRP 17 OK 100 100 - 100 - 3.0=100 HA ASN 54 - H TRP 17 lone 6 68 - 8 - 3.0/11663=2, 3.0/11662=2 Peak 6047 from nnoeabs.peaks (3.15, 7.84, 121.56 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 17 + H TRP 17 OK 100 100 - 100 - 4.0=100 HB2 TYR 70 - H TRP 17 OK 17 96 - 18 - 186/4.0=6, 166/3.0=4...(5) HA LEU 39 - H TRP 17 lone 4 77 - 5 - 2.9/11274=3 Peak 6048 from nnoeabs.peaks (3.29, 7.84, 121.56 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TRP 17 + H TRP 17 OK 100 100 - 100 - 4.0=100 HD2 ARG 124 - H TRP 17 lone 8 89 - 9 - 4241/3.6=5, 5.2/6043=3 HD3 ARG 109 - H TRP 17 lone 2 77 - 3 - HB2 TRP 88 - H TRP 17 lone 2 85 - 2 - Peak 6049 from nnoeabs.peaks (7.05, 7.84, 121.56 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.90: * HD1 TRP 17 + H TRP 17 OK 78 100 - 78 - 5.9=75, 5521/8.1=6, 5526/8.8=5 QE PHE 67 + H TRP 17 OK 56 99 - 57 - 10860/3.0=44, 5521/8.1=7...(5) Peak 6055 from nnoeabs.peaks (7.05, 9.98, 128.55 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 17 + HE1 TRP 17 OK 100 100 - 100 - 2.6=100 QE PHE 67 - HE1 TRP 17 OK 25 99 - 25 - 5526/2.8=10, 10860/6.4=5...(7) Peak 6056 from nnoeabs.peaks (9.98, 9.98, 128.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 17 + HE1 TRP 17 OK 100 100 - 100 Peak 6057 from nnoeabs.peaks (7.29, 9.98, 128.55 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 17 + HE1 TRP 17 OK 100 100 - 100 - 2.8=100 H PHE 67 - HE1 TRP 17 lone 7 98 - 7 - 6.1/6055=1, ~1922=1, 4534/5.0=1 QE PHE 106 - HE1 TRP 17 lone 6 99 - 6 - 5534/5.0=1 Peak 6058 from nnoeabs.peaks (6.89, 6.89, 111.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 25 + HE21 GLN 25 OK 100 100 - 100 Peak 6059 from nnoeabs.peaks (4.04, 6.89, 111.59 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.98: * HA GLN 25 + HE21 GLN 25 OK 95 100 - 95 - 5.5=72, 201/1.7=39...(13) HD2 PRO 33 + HE21 GLN 25 OK 68 89 - 76 - 6066/1.7=18, 219/3.5=16...(16) Peak 6060 from nnoeabs.peaks (2.17, 6.89, 111.59 ppm; 5.12 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 4.4=100 HG LEU 29 + HE21 GLN 25 OK 73 89 - 82 - ~8073=26, ~10532=20...(16) HG2 PRO 129 + HE21 GLN 25 OK 46 85 - 54 - 228/3.5=11, 220/3.5=10...(10) HB3 LYS 86 - HE21 GLN 25 OK 21 68 - 31 - 220/3.5=7, 228/3.5=6...(8) Peak 6061 from nnoeabs.peaks (2.10, 6.89, 111.59 ppm; 4.96 A): 4 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 4.4=100 HG2 PRO 33 + HE21 GLN 25 OK 77 99 - 78 - 2.3/6059=15, ~6066=12...(20) HG3 PRO 33 + HE21 GLN 25 OK 74 94 - 78 - 2.3/6059=15, ~6066=12...(20) HB VAL 53 + HE21 GLN 25 OK 47 100 - 47 - ~8245=8, 6068/1.7=6...(15) HG2 PRO 118 - HE21 GLN 25 OK 21 89 - 24 - 2.3/11031=6, 221/3.5=3...(8) HB3 LYS 36 - HE21 GLN 25 OK 17 98 - 17 - 221/3.5=2, 229/3.5=2...(7) HB3 GLU 142 - HE21 GLN 25 OK 10 100 - 10 - 4851/6.4=2, 221/3.5=1...(6) HB2 GLU 131 - HE21 GLN 25 lone 8 89 - 9 - 10291/9836=1, 6068/1.7=1 Peak 6062 from nnoeabs.peaks (2.38, 6.89, 111.59 ppm; 3.52 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 3.5=100 HG3 GLN 25 + HE21 GLN 25 OK 62 62 - 100 - 3.5=100 HB ILE 91 + HE21 GLN 25 OK 48 100 - 48 - 2.1/10936=11, ~10935=7...(21) HG2 MET 59 - HE21 GLN 25 OK 25 100 - 25 - 6069/1.7=3, 223/3.5=3...(9) HG3 MET 59 - HE21 GLN 25 OK 24 100 - 24 - 6069/1.7=3, 223/3.5=3...(7) HG2 MET 46 - HE21 GLN 25 OK 17 100 - 17 - 223/3.5=3, 6069/1.7=2...(6) HG3 MET 11 - HE21 GLN 25 OK 16 81 - 20 - 230/3.5=3, 214/4.4=3...(8) HG3 GLU 37 - HE21 GLN 25 lone 6 100 - 6 - Peak 6063 from nnoeabs.peaks (2.40, 6.89, 111.59 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 3.5=100 HG2 GLN 25 + HE21 GLN 25 OK 68 68 - 100 - 3.5=100 HB ILE 91 - HE21 GLN 25 OK 30 68 - 44 - 2.1/10936=11, ~10935=7...(21) HG3 MET 59 - HE21 GLN 25 OK 14 68 - 21 - 6070/1.7=2, ~6069=2...(6) HG2 MET 46 - HE21 GLN 25 OK 11 72 - 15 - 223/3.5=2, 6070/1.7=2...(6) Peak 6064 from nnoeabs.peaks (7.50, 6.89, 111.59 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 1.7=100 HE ARG 49 - HE21 GLN 25 lone 4 96 - 4 - HE21 GLN 47 - HE21 GLN 25 lone 0 68 - 1 - H TYR 70 - HE21 GLN 25 lone 0 85 - 1 - Peak 6065 from nnoeabs.peaks (7.50, 7.50, 111.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 25 + HE22 GLN 25 OK 100 100 - 100 Peak 6066 from nnoeabs.peaks (4.04, 7.50, 111.59 ppm; 4.74 A): 2 out of 2 assignments used, quality = 0.96: * HA GLN 25 + HE22 GLN 25 OK 89 100 - 89 - 5.5=63, 198/3.5=29...(11) HD2 PRO 33 + HE22 GLN 25 OK 65 89 - 73 - 6059/1.7=15, 219/3.5=15...(15) Peak 6067 from nnoeabs.peaks (2.17, 7.50, 111.59 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 4.4=100 HG LEU 29 + HE22 GLN 25 OK 69 89 - 77 - 2.1/8073=29, ~10532=16...(13) HG2 PRO 129 - HE22 GLN 25 OK 39 85 - 46 - 2.3/11302=9, 228/3.5=9...(9) HB3 LYS 86 - HE22 GLN 25 OK 18 68 - 26 - 220/3.5=6, 228/3.5=5...(7) Peak 6068 from nnoeabs.peaks (2.10, 7.50, 111.59 ppm; 4.45 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 4.4=100 HG2 PRO 33 + HE22 GLN 25 OK 69 99 - 70 - 2.3/6066=14, ~6059=9...(19) HG3 PRO 33 + HE22 GLN 25 OK 66 94 - 70 - 2.3/6066=14, ~6059=9...(19) HB VAL 53 - HE22 GLN 25 OK 39 100 - 39 - ~8245=6, 229/3.5=5...(15) HG2 PRO 118 - HE22 GLN 25 OK 18 89 - 20 - ~11031=6, 221/3.5=2...(8) HB3 LYS 36 - HE22 GLN 25 OK 13 98 - 13 - 221/3.5=2, 229/3.5=2...(7) HB3 GLU 142 - HE22 GLN 25 lone 8 100 - 8 - 4851/6.4=2 HB2 GLU 131 - HE22 GLN 25 lone 8 89 - 9 - 10291/8073=3 Peak 6069 from nnoeabs.peaks (2.38, 7.50, 111.59 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.97: * HG2 GLN 25 + HE22 GLN 25 OK 89 100 - 89 - 3.5=85, 3.9/201=12...(6) HG3 GLN 25 + HE22 GLN 25 OK 55 62 - 88 - 3.5=85, 3.9/201=12, 8360/10935=2 HB ILE 91 + HE22 GLN 25 OK 43 100 - 43 - 2.1/10935=10, ~10936=6...(15) HG2 MET 59 - HE22 GLN 25 OK 22 100 - 22 - 223/3.5=3, 6062/1.7=3...(8) HG3 MET 59 - HE22 GLN 25 OK 20 100 - 20 - 223/3.5=3, 6062/1.7=3...(7) HG2 MET 46 - HE22 GLN 25 OK 15 100 - 15 - 223/3.5=2, 6062/1.7=2...(6) HG3 MET 11 - HE22 GLN 25 OK 14 81 - 18 - 230/3.5=3, 214/4.4=3...(7) HG3 GLU 37 - HE22 GLN 25 lone 5 100 - 5 - Peak 6070 from nnoeabs.peaks (2.40, 7.50, 111.59 ppm; 3.31 A): 2 out of 5 assignments used, quality = 0.95: * HG3 GLN 25 + HE22 GLN 25 OK 88 100 - 88 - 3.5=85, 3.9/201=12...(6) HG2 GLN 25 + HE22 GLN 25 OK 59 68 - 88 - 3.5=85, 3.9/201=12, 10532/8073=4 HB ILE 91 - HE22 GLN 25 OK 26 68 - 39 - 2.1/10935=10, ~10936=6...(15) HG3 MET 59 - HE22 GLN 25 OK 12 68 - 18 - 6063/1.7=2, 223/3.5=2...(6) HG2 MET 46 - HE22 GLN 25 poor 10 72 - 13 - 223/3.5=2, 6063/1.7=2...(5) Peak 6071 from nnoeabs.peaks (6.89, 7.50, 111.59 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 1.7=100 HE21 GLN 22 - HE22 GLN 25 lone 3 94 - 3 - HD2 HIS 14 - HE22 GLN 25 lone 1 99 - 1 - HE21 GLN 111 - HE22 GLN 25 lone 1 92 - 1 - HE22 GLN 47 - HE22 GLN 25 lone 1 68 - 1 - HZ PHE 23 - HE22 GLN 25 lone 0 72 - 1 - Peak 6072 from nnoeabs.peaks (7.83, 7.83, 117.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 26 + H LEU 26 OK 100 100 - 100 Peak 6073 from nnoeabs.peaks (4.04, 7.83, 117.77 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 25 + H LEU 26 OK 100 100 - 100 - 3.6=100 HD2 PRO 33 - H LEU 26 OK 40 89 - 45 - 203/4.6=7, 211/4.6=7...(17) Peak 6074 from nnoeabs.peaks (2.17, 7.83, 117.77 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.91: * HB2 GLN 25 + H LEU 26 OK 80 100 - 80 - 4.6=49, 1.8/6075=15...(14) HG LEU 29 + H LEU 26 OK 42 89 - 48 - 2.1/10867=10, 9777/3.6=9...(14) HG2 PRO 129 + H LEU 26 OK 17 85 - 19 - 196/3.6=6, 212/4.6=5...(6) HB3 LYS 86 + H LEU 26 OK 10 68 - 15 - 196/3.6=4, 212/4.6=3, 3.5/6083=2 Peak 6075 from nnoeabs.peaks (2.10, 7.83, 117.77 ppm; 3.29 A): 5 out of 8 assignments used, quality = 0.91: * HB3 GLN 25 + H LEU 26 OK 71 100 - 71 - 4.6=36, 1.8/10916=18...(14) HG2 PRO 33 + H LEU 26 OK 36 99 - 36 - 2.3/6073=8, 471/3.6=6...(12) HG3 PRO 33 + H LEU 26 OK 34 94 - 36 - 2.3/6073=8, 479/3.6=6...(13) HB VAL 53 + H LEU 26 OK 24 100 - 24 - 2.1/8239=9, 3.0/6080=2...(8) HG2 PRO 118 + H LEU 26 OK 10 89 - 12 - 2.3/6080=2, 3970/2.9=1 HB3 LYS 36 - H LEU 26 lone 7 98 - 7 - 197/3.6=2, 8114/10869=1 HB2 GLU 131 - H LEU 26 lone 5 89 - 6 - HB3 GLU 142 - H LEU 26 lone 5 100 - 4 - 4851/4.7=1 Peak 6076 from nnoeabs.peaks (2.38, 7.83, 117.77 ppm; 4.49 A): 3 out of 8 assignments used, quality = 0.96: * HG2 GLN 25 + H LEU 26 OK 87 100 - 87 - 198/3.6=26, 2.9/10916=23...(20) HG3 GLN 25 + H LEU 26 OK 49 62 - 79 - 2.9/10916=23...(15) HB ILE 91 + H LEU 26 OK 32 100 - 32 - 199/3.6=7, 215/4.6=5...(9) HG2 MET 46 - H LEU 26 OK 16 100 - 16 - 199/3.6=3, 215/4.6=3...(5) HG3 MET 11 - H LEU 26 OK 16 81 - 19 - 198/3.6=5, 214/4.6=5...(4) HG2 MET 59 - H LEU 26 OK 15 100 - 15 - 199/3.6=4, 215/4.6=3, 207/4.6=3 HG3 MET 59 - H LEU 26 OK 14 100 - 14 - 199/3.6=4, 215/4.6=3, 207/4.6=3 HG3 GLU 37 - H LEU 26 lone 10 100 - 9 - ~10918=3, 9799/6080=1, 214/4.6=1 Peak 6077 from nnoeabs.peaks (2.40, 7.83, 117.77 ppm; 4.49 A): 2 out of 5 assignments used, quality = 0.94: * HG3 GLN 25 + H LEU 26 OK 86 100 - 86 - 2.9/10916=23, 234=22...(20) HG2 GLN 25 + H LEU 26 OK 55 68 - 82 - 2.9/10916=23, 1.8/234=18...(17) HB ILE 91 - H LEU 26 OK 18 68 - 27 - 199/3.6=4, 4.7/10094=4...(7) HG2 MET 46 - H LEU 26 OK 10 72 - 14 - 199/3.6=2, 215/4.6=2...(6) HG3 MET 59 - H LEU 26 poor 7 68 - 11 - 199/3.6=2, 215/4.6=2, 207/4.6=2 Peak 6078 from nnoeabs.peaks (6.89, 7.83, 117.77 ppm; 5.48 A): 2 out of 6 assignments used, quality = 0.86: * HE21 GLN 25 + H LEU 26 OK 81 100 - 82 - 200/3.6=24, 4.4/10916=23...(14) HE21 GLN 22 + H LEU 26 OK 23 94 - 24 - 1.7/10985=13, 200/3.6=5 HD2 HIS 14 - H LEU 26 poor 10 99 - 10 - 200/3.6=3, 4503/297=3 HE21 GLN 111 - H LEU 26 poor 10 92 - 10 - 200/3.6=2, 11199/10868=2...(4) HZ PHE 23 - H LEU 26 lone 4 72 - 6 - 11199/10868=2, 200/3.6=1 HE22 GLN 47 - H LEU 26 lone 3 68 - 5 - 200/3.6=1 Peak 6080 from nnoeabs.peaks (4.07, 7.83, 117.77 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 26 + H LEU 26 OK 100 100 - 100 - 2.9=100 HA LYS 34 - H LEU 26 OK 36 100 - 36 - 235=5, 252/3.9=4...(17) HA LYS 24 - H LEU 26 OK 29 81 - 36 - 3.6/10895=10, 11347=8...(11) HA VAL 53 - H LEU 26 OK 20 89 - 22 - 3.2/8239=8, 3.0/6075=3...(5) HD3 PRO 118 - H LEU 26 OK 15 96 - 16 - 2.3/6075=2, 252/3.9=2...(5) HA LEU 132 - H LEU 26 OK 14 96 - 14 - 4.0/10868=3, 268/4.8=1...(5) HA GLU 90 - H LEU 26 lone 8 96 - 9 - 252/3.9=1 Peak 6081 from nnoeabs.peaks (2.07, 7.83, 117.77 ppm; 3.32 A): 3 out of 10 assignments used, quality = 0.90: * HB2 LEU 26 + H LEU 26 OK 85 100 - 85 - 3.9=62, 1.8/6082=17...(14) HA ARG 35 + H LEU 26 OK 21 62 - 34 - 3.9/10866=14, 3.9/6085=7...(9) HB2 PRO 129 + H LEU 26 OK 16 99 - 16 - 2.3/10916=5, 4378/4.6=4...(5) HB3 LYS 61 - H LEU 26 lone 9 100 - 9 - 237/2.9=2, 253/3.9=2...(4) HG2 PRO 118 - H LEU 26 poor 8 68 - 12 - 2.3/6080=2, 197/3.6=1, 253/3.9=1 HD2 ARG 49 - H LEU 26 lone 6 100 - 6 - 237/2.9=1, 253/3.9=1 HG2 GLU 122 - H LEU 26 lone 5 98 - 5 - 253/3.9=1 HB3 GLN 62 - H LEU 26 lone 5 99 - 5 - HG3 PRO 98 - H LEU 26 lone 4 62 - 7 - 10113/3.9=2 HB2 GLU 131 - H LEU 26 lone 4 68 - 5 - 237/2.9=1 Peak 6082 from nnoeabs.peaks (1.64, 7.83, 117.77 ppm; 3.34 A): 5 out of 6 assignments used, quality = 0.95: * HB3 LEU 26 + H LEU 26 OK 86 100 - 86 - 3.9=63, 1.8/6081=19...(15) HG3 LYS 34 + H LEU 26 OK 33 94 - 35 - 527/2.9=4, 10968/3.9=4...(14) HD2 LYS 24 + H LEU 26 OK 29 94 - 30 - 10908/2.9=5, 11359=5...(13) HD3 LYS 93 + H LEU 26 OK 12 62 - 20 - 1.8/6083=4, ~3033=2...(11) HB2 PRO 57 + H LEU 26 OK 12 68 - 17 - 238/2.9=4, 1.8/10916=3...(6) HB2 LYS 114 - H LEU 26 lone 6 62 - 10 - 238/2.9=3, 246/3.9=2...(4) Peak 6083 from nnoeabs.peaks (1.69, 7.83, 117.77 ppm; 3.40 A): 5 out of 8 assignments used, quality = 0.91: * HG LEU 26 + H LEU 26 OK 77 100 - 77 - 5.3=26, 2.1/6084=18...(15) HG LEU 97 + H LEU 26 OK 28 98 - 28 - 255/3.9=5, 239/2.9=5...(8) HG3 ARG 141 + H LEU 26 OK 23 96 - 24 - 10505/5.0=11, 239/2.9=4...(5) HD2 LYS 93 + H LEU 26 OK 19 81 - 24 - 1.8/6082=3, 239/2.9=2...(12) HD2 LYS 86 + H LEU 26 OK 12 77 - 16 - 3.5/10916=3, 239/2.9=2...(7) HB ILE 58 - H LEU 26 poor 9 77 - 12 - 255/3.9=2, 247/3.9=2...(7) HB3 LEU 95 - H LEU 26 lone 5 68 - 7 - 4.6/9097=2 HB2 LYS 85 - H LEU 26 lone 3 81 - 3 - Peak 6084 from nnoeabs.peaks (1.18, 7.83, 117.77 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.93: * QD1 LEU 26 + H LEU 26 OK 90 100 - 90 - 4.8=55, 2.1/6085=20...(16) HB3 LEU 108 + H LEU 26 OK 26 94 - 27 - 256/3.9=7, 248/3.9=5...(7) HB2 LEU 72 - H LEU 26 poor 10 72 - 14 - 3.1/8545=2, 8112/10869=2...(6) QD1 LEU 69 - H LEU 26 lone 7 72 - 9 - 240/2.9=1, 256/3.9=1 HG2 LYS 76 - H LEU 26 lone 4 62 - 6 - 8075/10835=1 Peak 6085 from nnoeabs.peaks (1.08, 7.83, 117.77 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.97: * QD2 LEU 26 + H LEU 26 OK 90 100 - 90 - 5.0=48, 2.1/6084=23...(18) HG2 ARG 35 + H LEU 26 OK 72 98 - 73 - 1.8/10866=31, ~10864=13...(12) Peak 6086 from nnoeabs.peaks (7.82, 7.83, 117.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: H LEU 26 + H LEU 26 OK 94 94 - 100 Reference assignment not found: H TYR 27 - H LEU 26 Peak 6087 from nnoeabs.peaks (7.82, 7.82, 117.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + H TYR 27 OK 100 100 - 100 Peak 6088 from nnoeabs.peaks (7.83, 7.82, 117.34 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: H TYR 27 + H TYR 27 OK 94 94 - 100 Reference assignment not found: H LEU 26 - H TYR 27 Peak 6089 from nnoeabs.peaks (4.07, 7.82, 117.34 ppm; 3.78 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 26 + H TYR 27 OK 100 100 - 100 - 3.6=100 HA LYS 34 - H TYR 27 OK 29 100 - 29 - 242=5, 252/4.6=4...(11) HA VAL 53 - H TYR 27 OK 26 89 - 29 - 9810/3.0=11, 3.2/8239=8...(7) HA LYS 24 - H TYR 27 OK 23 81 - 29 - 11347/3.9=6, 11347=4...(10) HA GLU 90 - H TYR 27 lone 8 96 - 8 - 2915/3032=2, 3033/3044=1...(4) HA LEU 132 - H TYR 27 lone 8 96 - 8 - 252/4.6=1, 244/4.6=1, ~7672=1 HD3 PRO 118 - H TYR 27 lone 7 96 - 8 - 252/4.6=2, 244/4.6=2 Peak 6090 from nnoeabs.peaks (2.07, 7.82, 117.34 ppm; 3.86 A): 2 out of 10 assignments used, quality = 0.82: * HB2 LEU 26 + H TYR 27 OK 78 100 - 78 - 4.6=59, 1.8/6091=18...(8) HA ARG 35 + H TYR 27 OK 19 62 - 31 - 3.9/11187=10, 3.9/6094=8...(8) HB2 PRO 129 - H TYR 27 lone 9 99 - 9 - 10284/3.9=2, 237/3.6=2 HD2 ARG 49 - H TYR 27 lone 9 100 - 9 - 9826/4.6=3, 237/3.6=1, 253/4.6=1 HB3 LYS 61 - H TYR 27 lone 7 100 - 7 - 237/3.6=2, 253/4.6=2 HB2 GLU 131 - H TYR 27 poor 7 68 - 10 - ~6112=4, ~4438=2, 237/3.6=1 HG2 PRO 118 - H TYR 27 lone 4 68 - 6 - 2.3/6089=1, 253/4.6=1 HB3 GLN 62 - H TYR 27 lone 4 99 - 4 - HG2 GLU 122 - H TYR 27 lone 4 98 - 4 - 253/4.6=1 HG3 PRO 98 - H TYR 27 lone 3 62 - 6 - 10113/4.6=3 Peak 6091 from nnoeabs.peaks (1.64, 7.82, 117.34 ppm; 3.86 A): 4 out of 6 assignments used, quality = 0.92: * HB3 LEU 26 + H TYR 27 OK 82 100 - 82 - 4.6=58, 1.8/6090=20...(10) HD2 LYS 24 + H TYR 27 OK 23 94 - 24 - 11359/3.9=7, 10908/3.6=6...(9) HG3 LYS 34 + H TYR 27 OK 23 94 - 24 - 527/3.6=5, 10968/4.6=5...(7) HD3 LYS 93 + H TYR 27 OK 23 62 - 37 - 1.8/6092=7, 3.4/3032=5...(14) HB2 PRO 57 - H TYR 27 poor 8 68 - 12 - 238/3.6=4, 246/4.6=3 HB2 LYS 114 - H TYR 27 poor 8 62 - 13 - 238/3.6=3, 246/4.6=2...(4) Peak 6092 from nnoeabs.peaks (1.69, 7.82, 117.34 ppm; 3.96 A): 5 out of 8 assignments used, quality = 0.88: * HG LEU 26 + H TYR 27 OK 65 100 - 65 - 3.0/6090=16, 3.0/6091=15...(10) HD2 LYS 93 + H TYR 27 OK 34 81 - 42 - 8043/3.0=6, 1.8/6091=5...(17) HG LEU 97 + H TYR 27 OK 25 98 - 26 - 255/4.6=5, 239/3.6=5...(7) HG3 ARG 141 + H TYR 27 OK 18 96 - 18 - 239/3.6=5, 10505/6094=4...(4) HD2 LYS 86 + H TYR 27 OK 17 77 - 22 - 3.0/6096=3, 3.0/6096=3...(9) HB ILE 58 - H TYR 27 poor 8 77 - 11 - 8282/3.6=3, 255/4.6=2...(4) HB2 LYS 85 - H TYR 27 lone 8 81 - 9 - ~6110=1, 8043/3.0=1 HB3 LEU 95 - H TYR 27 lone 6 68 - 9 - 4.6/9097=2, 3.9/7112=1 Peak 6093 from nnoeabs.peaks (1.18, 7.82, 117.34 ppm; 5.23 A): 4 out of 5 assignments used, quality = 0.93: * QD1 LEU 26 + H TYR 27 OK 86 100 - 86 - 3.2/6090=24, 3.2/6091=22...(14) HB3 LEU 108 + H TYR 27 OK 32 94 - 34 - 256/4.6=10, 248/4.6=9...(10) HB2 LEU 72 + H TYR 27 OK 16 72 - 22 - 3.2/8546=4, 3.1/8545=4...(7) QD1 LEU 69 + H TYR 27 OK 13 72 - 17 - ~6110=3, 8457/8047=3...(7) HG2 LYS 76 - H TYR 27 poor 9 62 - 15 - ~8055=3, ~6110=2...(5) Peak 6094 from nnoeabs.peaks (1.08, 7.82, 117.34 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.96: * QD2 LEU 26 + H TYR 27 OK 82 100 - 82 - 3.1/6090=23, 3.1/6091=21...(15) HG2 ARG 35 + H TYR 27 OK 76 98 - 77 - 1.8/11187=23, ~8045=16...(15) Peak 6095 from nnoeabs.peaks (3.79, 7.82, 117.34 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 27 + H TYR 27 OK 100 100 - 100 - 3.0=100 HA GLN 47 - H TYR 27 OK 18 92 - 19 - 298/3.9=4, 6103/3.1=3...(6) Peak 6096 from nnoeabs.peaks (3.06, 7.82, 117.34 ppm; 3.89 A): 1 out of 8 assignments used, quality = 0.98: * HB2 TYR 27 + H TYR 27 OK 98 100 - 98 - 3.9=96, 2.6/6098=18...(8) HB3 ASP 30 - H TYR 27 OK 28 92 - 30 - 1.8/6097=7, 299/3.9=5...(8) HE3 LYS 34 - H TYR 27 OK 25 100 - 25 - 10567/3.6=5, 3.7/6091=3...(12) HE2 LYS 34 - H TYR 27 OK 25 98 - 25 - 10567/3.6=5, 3.7/6091=3...(12) HE3 LYS 86 - H TYR 27 OK 24 99 - 24 - ~8043=3, 285/3.0=3...(10) HE2 LYS 86 - H TYR 27 OK 23 98 - 24 - ~8043=3, 285/3.0=3...(10) HB3 TRP 88 - H TYR 27 OK 13 92 - 14 - 11014/4.6=5, 4.2/6098=3...(5) HB2 HIS 10 - H TYR 27 lone 2 92 - 3 - Peak 6097 from nnoeabs.peaks (2.97, 7.82, 117.34 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + H TYR 27 OK 100 100 - 100 - 3.9=100 HB2 ASP 30 - H TYR 27 OK 28 89 - 32 - 286/3.0=7, 293/3.9=7...(8) HA VAL 71 - H TYR 27 OK 16 100 - 16 - 286/3.0=4, 293/3.9=3...(5) HA VAL 82 - H TYR 27 lone 6 72 - 8 - 4551/4.6=1, 286/3.0=1, 293/3.9=1 Peak 6098 from nnoeabs.peaks (7.20, 7.82, 117.34 ppm; 4.09 A): 4 out of 5 assignments used, quality = 0.89: * QD TYR 27 + H TYR 27 OK 82 100 - 82 - 4.6=71, 2.6/6096=14...(7) HE3 TRP 88 + H TYR 27 OK 17 100 - 17 - 287/3.0=3, 10889/3.6=2...(7) H LYS 36 + H TYR 27 OK 16 62 - 25 - 287/3.0=6, 301/3.9=4...(6) H GLU 37 + H TYR 27 OK 15 77 - 20 - 287/3.0=5, 301/3.9=4...(7) HE3 TRP 17 - H TYR 27 lone 3 68 - 4 - Peak 6100 from nnoeabs.peaks (7.70, 7.82, 117.34 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + H TYR 27 OK 100 100 - 100 - 3.1=100 H ALA 134 - H TYR 27 OK 15 98 - 15 - 303/3.9=3, 289/3.0=3...(6) H PHE 106 - H TYR 27 OK 14 100 - 14 - 303/3.9=5, 289/3.0=3...(4) Peak 6101 from nnoeabs.peaks (7.70, 7.70, 113.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + H GLU 28 OK 100 100 - 100 Peak 6102 from nnoeabs.peaks (7.82, 7.70, 113.85 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 27 + H GLU 28 OK 100 100 - 100 - 3.1=100 H LEU 26 - H GLU 28 OK 25 94 - 26 - 3.6/11460=12...(7) H GLY 94 - H GLU 28 lone 9 92 - 9 - 4.7/6110=1, 283/3.6=1 H SER 44 - H GLU 28 lone 4 99 - 4 - H THR 110 - H GLU 28 lone 4 100 - 4 - Peak 6103 from nnoeabs.peaks (3.79, 7.70, 113.85 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 27 + H GLU 28 OK 100 100 - 100 - 3.6=100 HA GLN 47 - H GLU 28 OK 15 92 - 16 - 6095/3.1=6, 298/4.7=5, 291/4.7=4 Peak 6104 from nnoeabs.peaks (3.06, 7.70, 113.85 ppm; 4.38 A): 2 out of 8 assignments used, quality = 0.95: * HB2 TYR 27 + H GLU 28 OK 93 100 - 93 - 4.7=83, 1.8/303=34...(6) HB3 ASP 30 + H GLU 28 OK 34 92 - 37 - 3.8/10853=16, 1.8/6105=7...(7) HE3 LYS 34 - H GLU 28 OK 17 100 - 17 - 6096/3.1=4, 285/3.6=3...(7) HE3 LYS 86 - H GLU 28 OK 17 99 - 17 - 285/3.6=4, 6096/3.1=4...(6) HE2 LYS 34 - H GLU 28 OK 16 98 - 17 - 6096/3.1=4, 285/3.6=3...(7) HE2 LYS 86 - H GLU 28 OK 16 98 - 17 - 285/3.6=3, 6096/3.1=3...(6) HB3 TRP 88 - H GLU 28 OK 14 92 - 15 - 11014/5.0=7, 299/4.7=2...(4) HB2 HIS 10 - H GLU 28 lone 3 92 - 3 - Peak 6105 from nnoeabs.peaks (2.97, 7.70, 113.85 ppm; 5.28 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + H GLU 28 OK 100 100 - 100 - 4.7=100 HB2 ASP 30 + H GLU 28 OK 47 89 - 53 - 3.8/10853=23, 286/3.6=10...(7) HA VAL 71 - H GLU 28 OK 22 100 - 22 - 286/3.6=6, 4551/5.0=5...(4) HA VAL 82 - H GLU 28 poor 8 72 - 11 - 4551/5.0=3, 286/3.6=2...(4) Peak 6108 from nnoeabs.peaks (4.55, 7.70, 113.85 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 28 + H GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 98 - H GLU 28 OK 22 100 - 22 - 319/4.0=4, 312/4.0=4...(9) HA LEU 97 - H GLU 28 OK 14 98 - 14 - 319/4.0=2, 312/4.0=2...(5) HA MET 59 - H GLU 28 lone 2 72 - 3 - Peak 6109 from nnoeabs.peaks (2.22, 7.70, 113.85 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.98: * HB2 GLU 28 + H GLU 28 OK 90 100 - 90 - 4.0=58, 1.8/318=19...(18) HG2 GLU 28 + H GLU 28 OK 83 100 - 83 - 4.9=32, 326/3.0=21...(13) HB3 PRO 12 - H GLU 28 lone 9 100 - 9 - 306/3.0=3, 320/4.0=3...(4) Peak 6110 from nnoeabs.peaks (1.86, 7.70, 113.85 ppm; 3.67 A): 1 out of 7 assignments used, quality = 0.95: * HB3 GLU 28 + H GLU 28 OK 95 100 - 95 - 4.0=75, 1.8/311=23...(17) HB2 LYS 93 - H GLU 28 OK 18 68 - 27 - ~3044=3, 2.9/8055=3...(16) HG LEU 69 - H GLU 28 OK 16 100 - 16 - 8460/4.7=6, 307/3.0=4...(5) HB3 LYS 76 - H GLU 28 OK 14 100 - 14 - 307/3.0=3, 6118/4.7=2...(6) HB3 LYS 85 - H GLU 28 OK 12 98 - 12 - 307/3.0=2, 314/4.0=2...(6) HB2 LYS 48 - H GLU 28 lone 4 77 - 6 - 335/4.9=1 HB2 ARG 144 - H GLU 28 lone 1 62 - 1 - Peak 6111 from nnoeabs.peaks (2.22, 7.70, 113.85 ppm; 3.37 A): 2 out of 4 assignments used, quality = 0.98: HB2 GLU 28 + H GLU 28 OK 89 100 - 90 - 4.0=58, 1.8/318=19...(18) * HG2 GLU 28 + H GLU 28 OK 83 100 - 83 - 4.9=32, 326/3.0=21...(13) HB3 PRO 12 - H GLU 28 lone 9 98 - 9 - 306/3.0=3, 320/4.0=3...(4) HG2 GLU 37 - H GLU 28 lone 5 72 - 7 - 10768/4.7=4, 306/3.0=1 Peak 6112 from nnoeabs.peaks (2.45, 7.70, 113.85 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.95: * HG3 GLU 28 + H GLU 28 OK 92 100 - 92 - 4.9=45, 1.8/325=25...(15) HB3 GLU 131 + H GLU 28 OK 33 100 - 33 - 309/3.0=7, 323/4.0=6...(9) HG3 GLU 131 - H GLU 28 OK 15 72 - 21 - 309/3.0=4, 323/4.0=3...(7) HG2 MET 11 - H GLU 28 lone 2 68 - 3 - Peak 6113 from nnoeabs.peaks (6.91, 7.70, 113.85 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.73: * H LEU 29 + H GLU 28 OK 73 100 - 73 - 4.7=41, 4.3/311=11...(13) HE21 GLN 22 - H GLU 28 poor 9 85 - 11 - ~10985=3, 11206/5.0=2 HD2 HIS 14 - H GLU 28 poor 7 72 - 10 - 4503/4.7=5, 11206/5.0=2 Peak 6114 from nnoeabs.peaks (6.91, 6.91, 119.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + H LEU 29 OK 100 100 - 100 Peak 6115 from nnoeabs.peaks (7.70, 6.91, 119.95 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.88: * H GLU 28 + H LEU 29 OK 76 100 - 76 - 4.7=43, 311/4.3=11...(13) H ALA 134 + H LEU 29 OK 39 98 - 40 - 10838/3.0=6, 2.9/6123=5...(13) H PHE 106 + H LEU 29 OK 20 100 - 20 - 10838/3.0=3, 304/3.6=3...(7) Peak 6116 from nnoeabs.peaks (4.55, 6.91, 119.95 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 28 + H LEU 29 OK 100 100 - 100 - 3.6=100 HA PRO 98 - H LEU 29 OK 18 100 - 18 - 319/4.3=5, 312/4.3=5...(5) HA LEU 97 - H LEU 29 OK 15 98 - 15 - 8058/4.9=5, 319/4.3=3...(5) HA MET 59 - H LEU 29 lone 3 72 - 4 - 8058/4.9=1 Peak 6117 from nnoeabs.peaks (2.22, 6.91, 119.95 ppm; 3.97 A): 3 out of 3 assignments used, quality = 0.94: * HB2 GLU 28 + H LEU 29 OK 85 100 - 85 - 4.3=76, 4.0/6113=21...(5) HG2 GLU 28 + H LEU 29 OK 55 100 - 55 - 326/3.6=24, 4.9/6113=16...(5) HB3 PRO 12 + H LEU 29 OK 14 100 - 14 - 306/3.6=4, 320/4.3=3...(5) Peak 6118 from nnoeabs.peaks (1.86, 6.91, 119.95 ppm; 4.94 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + H LEU 29 OK 100 100 - 100 - 4.3=100 HB3 LYS 76 - H LEU 29 OK 44 100 - 44 - 2264/4.0=7, 3.0/6122=7...(12) HG LEU 69 - H LEU 29 OK 36 100 - 36 - 8460=21, 307/3.6=5...(6) HB3 LYS 85 - H LEU 29 OK 23 98 - 24 - 3.0/6122=3, 307/3.6=3...(10) HB2 LYS 93 - H LEU 29 OK 19 68 - 27 - 4.7/10856=6, 6110/4.7=4...(9) HB2 LYS 48 - H LEU 29 poor 9 77 - 11 - 314/4.3=2, 307/3.6=1...(4) HB2 ARG 144 - H LEU 29 lone 2 62 - 3 - Peak 6119 from nnoeabs.peaks (2.22, 6.91, 119.95 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.94: HB2 GLU 28 + H LEU 29 OK 85 100 - 85 - 4.3=76, 4.0/6113=21...(5) * HG2 GLU 28 + H LEU 29 OK 55 100 - 55 - 326/3.6=24, 4.9/6113=16...(5) HB3 PRO 12 + H LEU 29 OK 14 98 - 14 - 306/3.6=4, 320/4.3=3...(5) HG2 GLU 37 - H LEU 29 poor 8 72 - 11 - 10768=7, 320/4.3=1, 306/3.6=1 Peak 6120 from nnoeabs.peaks (2.45, 6.91, 119.95 ppm; 5.27 A): 3 out of 4 assignments used, quality = 0.94: * HG3 GLU 28 + H LEU 29 OK 83 100 - 83 - 309/3.6=34, 10854=31...(10) HB3 GLU 131 + H LEU 29 OK 55 100 - 55 - 10531/4.0=12, 309/3.6=10...(11) HG3 GLU 131 + H LEU 29 OK 24 72 - 33 - 323/4.3=6, 316/4.3=6...(8) HG2 MET 11 - H LEU 29 lone 3 68 - 5 - Peak 6121 from nnoeabs.peaks (3.94, 6.91, 119.95 ppm; 3.46 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 - 100 - 3.0=100 HD3 PRO 129 - H LEU 29 OK 26 100 - 27 - 356/4.0=4, 348/4.0=4...(16) HA LYS 86 - H LEU 29 OK 15 89 - 17 - 348/4.0=3, 356/4.0=3...(6) HA3 GLY 94 - H LEU 29 lone 5 62 - 7 - 3.0/10856=4 HA LYS 48 - H LEU 29 lone 4 77 - 5 - HA2 GLY 143 - H LEU 29 lone 4 92 - 4 - HA ALA 60 - H LEU 29 lone 2 62 - 3 - Peak 6122 from nnoeabs.peaks (1.52, 6.91, 119.95 ppm; 3.32 A): 2 out of 9 assignments used, quality = 0.92: * HB2 LEU 29 + H LEU 29 OK 90 100 - 90 - 4.0=55, 1.8/6123=19...(17) HG3 LYS 76 + H LEU 29 OK 28 100 - 28 - 341/3.0=5, 357/4.0=5...(11) HD2 LYS 76 - H LEU 29 OK 22 94 - 23 - 2297/4.0=5, 341/3.0=4...(9) QB ALA 135 - H LEU 29 OK 19 100 - 19 - 4.0/6123=3, 341/3.0=2...(9) HG3 LYS 85 - H LEU 29 OK 14 99 - 14 - 10043/5.2=2, 341/3.0=2...(6) HG2 LYS 93 - H LEU 29 OK 12 100 - 12 - 3047/4.3=1, 11556/4.3=1...(5) HG3 PRO 57 - H LEU 29 lone 7 96 - 7 - 341/3.0=1, 357/4.0=1 HB2 LYS 123 - H LEU 29 lone 2 92 - 2 - HB2 GLU 122 - H LEU 29 lone 2 62 - 2 - Peak 6123 from nnoeabs.peaks (1.49, 6.91, 119.95 ppm; 3.33 A): 2 out of 5 assignments used, quality = 0.92: * HB3 LEU 29 + H LEU 29 OK 90 100 - 90 - 4.0=56, 3.2/371=19...(16) QB ALA 134 + H LEU 29 OK 27 92 - 30 - 2.9/6115=7, 342/3.0=4...(11) HG13 ILE 101 - H LEU 29 OK 22 100 - 22 - 4.7/10168=11, 342/3.0=3...(8) HD3 LYS 114 - H LEU 29 OK 20 98 - 20 - 342/3.0=5, 350/4.0=4...(6) HG2 LYS 34 - H LEU 29 lone 6 77 - 7 - 6132/4.4=1, 342/3.0=1 Peak 6124 from nnoeabs.peaks (2.16, 6.91, 119.95 ppm; 3.36 A): 4 out of 4 assignments used, quality = 0.94: * HG LEU 29 + H LEU 29 OK 88 100 - 88 - 363=31, 2.1/371=25...(16) HB3 GLN 133 + H LEU 29 OK 23 72 - 32 - 343/3.0=5, 4.5/6115=4...(12) HB2 GLN 25 + H LEU 29 OK 23 89 - 25 - 2.9/10850=7, 383/4.6=4...(7) HB2 GLN 133 + H LEU 29 OK 21 68 - 31 - 4.5/6115=4, 343/3.0=4...(12) Peak 6125 from nnoeabs.peaks (0.91, 6.91, 119.95 ppm; 3.38 A): 2 out of 7 assignments used, quality = 0.92: * QD2 LEU 29 + H LEU 29 OK 89 100 - 89 - 371=37, 372/3.0=22...(15) HB2 LEU 64 + H LEU 29 OK 22 99 - 22 - 344/3.0=5, 352/4.0=5...(6) QG1 VAL 63 - H LEU 29 OK 17 92 - 19 - 344/3.0=3, 360/4.0=2...(10) QG2 VAL 63 - H LEU 29 OK 17 77 - 22 - 9868/4.3=6, 344/3.0=2...(10) QG1 VAL 53 - H LEU 29 OK 15 89 - 17 - ~9840=4, 344/3.0=3...(7) QG2 ILE 91 - H LEU 29 lone 6 77 - 8 - 10648/8551=1 HB2 LEU 108 - H LEU 29 lone 6 68 - 8 - 344/3.0=1, 352/4.0=1...(4) Peak 6126 from nnoeabs.peaks (0.96, 6.91, 119.95 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.96: * QD1 LEU 29 + H LEU 29 OK 92 100 - 92 - 4.6=47, 2.1/371=29...(13) HG3 ARG 35 + H LEU 29 OK 48 100 - 48 - 1.8/10882=14, 3.0/8057=9...(10) QG2 THR 51 - H LEU 29 OK 26 100 - 26 - 345/3.0=5, 361/4.0=5...(6) Peak 6127 from nnoeabs.peaks (7.31, 6.91, 119.95 ppm; 3.65 A): 3 out of 3 assignments used, quality = 0.94: * H ASP 30 + H LEU 29 OK 83 100 - 84 - 4.4=56, 8079/3.6=18...(9) H ARG 35 + H LEU 29 OK 41 100 - 41 - 4.5/10882=8, 5.4/8057=6...(10) QD TYR 115 + H LEU 29 OK 33 100 - 33 - 4.8/10288=6, 346/3.0=6...(9) Peak 6128 from nnoeabs.peaks (7.31, 7.31, 109.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 30 + H ASP 30 OK 100 100 - 100 Peak 6129 from nnoeabs.peaks (6.91, 7.31, 109.04 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.78: * H LEU 29 + H ASP 30 OK 75 100 - 75 - 4.4=44, 3.6/8079=15...(9) HE21 GLN 22 + H ASP 30 OK 14 85 - 16 - 355/4.2=4, 347/4.2=4...(5) HD2 HIS 14 - H ASP 30 lone 7 72 - 9 - 4503/3.8=2, 339/3.6=1...(4) Peak 6130 from nnoeabs.peaks (3.94, 7.31, 109.04 ppm; 3.71 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 29 + H ASP 30 OK 100 100 - 100 - 3.6=100 HD3 PRO 129 - H ASP 30 OK 25 100 - 26 - 9525/3.8=9, 356/4.2=4...(6) HA LYS 86 - H ASP 30 OK 14 89 - 16 - 348/4.2=3, 356/4.2=3...(7) HA2 GLY 143 - H ASP 30 lone 5 92 - 6 - 3.0/8081=1 HA LYS 48 - H ASP 30 lone 3 77 - 4 - HA3 GLY 94 - H ASP 30 lone 2 62 - 3 - HA ALA 60 - H ASP 30 lone 1 62 - 2 - Peak 6131 from nnoeabs.peaks (1.52, 7.31, 109.04 ppm; 3.48 A): 4 out of 9 assignments used, quality = 0.89: * HB2 LEU 29 + H ASP 30 OK 80 100 - 80 - 4.2=55, 1.8/6132=18...(6) HG3 LYS 76 + H ASP 30 OK 20 100 - 20 - 357/4.2=5, 341/3.6=5...(5) HD2 LYS 76 + H ASP 30 OK 17 94 - 18 - 2297/4.2=5, 341/3.6=4...(6) QB ALA 135 + H ASP 30 OK 15 100 - 15 - 4.0/6132=2, 341/3.6=2...(6) HG3 LYS 85 - H ASP 30 lone 8 99 - 8 - 341/3.6=2, 357/4.2=2...(4) HG3 PRO 57 - H ASP 30 lone 7 96 - 7 - 341/3.6=1, 357/4.2=1, 373/4.8=1 HG2 LYS 93 - H ASP 30 lone 7 100 - 7 - 6122/4.4=1, 341/3.6=1 HB2 LYS 123 - H ASP 30 lone 3 92 - 3 - HB2 GLU 122 - H ASP 30 lone 1 62 - 2 - Peak 6132 from nnoeabs.peaks (1.49, 7.31, 109.04 ppm; 3.48 A): 5 out of 5 assignments used, quality = 0.92: * HB3 LEU 29 + H ASP 30 OK 80 100 - 80 - 4.2=56, 1.8/6131=18...(7) HD3 LYS 114 + H ASP 30 OK 34 98 - 35 - 3.6/10201=5, 342/3.6=5...(13) QB ALA 134 + H ASP 30 OK 17 92 - 19 - 342/3.6=4, 350/4.2=3...(6) HG13 ILE 101 + H ASP 30 OK 13 100 - 13 - 342/3.6=2, 6123/4.4=2...(4) HG2 LYS 34 + H ASP 30 OK 12 77 - 16 - 4.0/492=2, 5.0/6172=2...(7) Peak 6133 from nnoeabs.peaks (2.16, 7.31, 109.04 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.93: * HG LEU 29 + H ASP 30 OK 83 100 - 83 - 2.1/6135=23, 363/4.4=22...(10) HB2 GLN 25 + H ASP 30 OK 32 89 - 36 - 375/4.8=8, 351/4.2=7...(8) HB3 GLN 133 + H ASP 30 OK 25 72 - 35 - 343/3.6=7, 3.0/8078=7...(7) HB2 GLN 133 + H ASP 30 OK 22 68 - 33 - 3.0/8078=7, 343/3.6=7...(7) Peak 6134 from nnoeabs.peaks (0.91, 7.31, 109.04 ppm; 3.77 A): 5 out of 7 assignments used, quality = 0.95: * QD2 LEU 29 + H ASP 30 OK 86 100 - 86 - 4.8=49, 372/3.6=22...(11) HB2 LEU 64 + H ASP 30 OK 28 99 - 28 - 3.1/9883=8, 352/4.2=5...(7) QG1 VAL 53 + H ASP 30 OK 23 89 - 26 - 2.1/8236=5, 10922/3.0=5...(8) QG1 VAL 63 + H ASP 30 OK 18 92 - 20 - 344/3.6=3, 360/4.2=3...(7) QG2 VAL 63 + H ASP 30 OK 15 77 - 19 - 10922/3.0=3, 344/3.6=2...(7) QG2 ILE 91 - H ASP 30 lone 8 77 - 10 - 10922/3.0=2 HB2 LEU 108 - H ASP 30 lone 6 68 - 9 - 352/4.2=2, 360/4.2=1...(4) Peak 6135 from nnoeabs.peaks (0.96, 7.31, 109.04 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.89: * QD1 LEU 29 + H ASP 30 OK 75 100 - 75 - 2.1/378=18, 345/3.6=17...(7) HG3 ARG 35 + H ASP 30 OK 41 100 - 41 - 345/3.6=8, 6126/4.4=6...(10) QG2 THR 51 + H ASP 30 OK 29 100 - 29 - 361/4.2=6, 353/4.2=6...(7) Peak 6136 from nnoeabs.peaks (4.39, 7.31, 109.04 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 30 + H ASP 30 OK 100 100 - 100 - 3.0=100 HB THR 18 - H ASP 30 lone 4 98 - 4 - HA ASN 96 - H ASP 30 lone 3 77 - 4 - Peak 6137 from nnoeabs.peaks (2.98, 7.31, 109.04 ppm; 3.85 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 30 + H ASP 30 OK 100 100 - 100 - 3.8=100 HB3 TYR 27 - H ASP 30 OK 33 89 - 37 - 4.7/10853=10, 389/3.0=8...(8) HA VAL 71 - H ASP 30 OK 12 96 - 13 - 4.9/8078=3, 8444/8078=1 HA VAL 82 - H ASP 30 OK 11 99 - 11 - 3.2/9999=4, 389/3.0=2 HB3 ASN 128 - H ASP 30 lone 8 94 - 9 - 4.8/6130=3, 389/3.0=1...(4) HB3 HIS 14 - H ASP 30 lone 6 77 - 7 - 4.0/6129=2 Peak 6138 from nnoeabs.peaks (3.07, 7.31, 109.04 ppm; 3.88 A): 1 out of 10 assignments used, quality = 1.00: * HB3 ASP 30 + H ASP 30 OK 100 100 - 100 - 3.8=100 HB2 TYR 27 - H ASP 30 OK 33 92 - 36 - 4.7/10853=10, 1.8/6137=7...(7) HE2 LYS 86 - H ASP 30 OK 26 100 - 26 - 398/3.0=5, 395/3.8=3...(10) HE3 LYS 86 - H ASP 30 OK 26 99 - 26 - 398/3.0=5, 395/3.8=3...(10) HE3 LYS 34 - H ASP 30 OK 12 89 - 14 - 3.7/11171=3, 2.9/558=2...(5) HE2 LYS 34 - H ASP 30 OK 10 72 - 14 - 3.7/11171=3, 2.9/547=2...(5) HD3 ARG 49 - H ASP 30 lone 5 81 - 6 - HB3 TRP 88 - H ASP 30 lone 3 100 - 3 - HA TYR 119 - H ASP 30 lone 2 62 - 3 - HA2 GLY 78 - H ASP 30 lone 2 72 - 2 - Peak 6139 from nnoeabs.peaks (8.40, 7.31, 109.04 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 31 + H ASP 30 OK 100 100 - 100 - 4.7=100 H TYR 117 - H ASP 30 OK 30 100 - 30 - 9405/4.4=10, 4.5/7439=6...(7) H GLU 75 - H ASP 30 OK 15 81 - 18 - 11473/3.8=4, 391/3.0=2...(6) H SER 103 - H ASP 30 lone 5 100 - 5 - 11473/3.8=1, 391/3.0=1 Peak 6140 from nnoeabs.peaks (8.40, 8.40, 104.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 31 + H GLY 31 OK 100 100 - 100 Peak 6142 from nnoeabs.peaks (4.39, 8.40, 104.72 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 30 + H GLY 31 OK 100 100 - 100 - 3.6=100 HB THR 18 - H GLY 31 lone 8 98 - 8 - 11389/3.0=5 HA ASN 96 - H GLY 31 lone 6 77 - 8 - 11389/3.0=6 Peak 6143 from nnoeabs.peaks (2.98, 8.40, 104.72 ppm; 3.88 A): 2 out of 6 assignments used, quality = 0.83: * HB2 ASP 30 + H GLY 31 OK 79 100 - 79 - 4.4=70, 1.8/6144=22, 8087/4.6=10 HB3 TYR 27 + H GLY 31 OK 18 89 - 21 - 389/3.6=7, 1.8/6144=5...(5) HA VAL 71 - H GLY 31 lone 6 96 - 6 - 6137/4.7=1, 389/3.6=1 HA VAL 82 - H GLY 31 lone 6 99 - 6 - 8087/4.6=2, 389/3.6=1 HB3 HIS 14 - H GLY 31 lone 4 77 - 4 - 8087/4.6=2 HB3 ASN 128 - H GLY 31 lone 3 94 - 3 - Peak 6144 from nnoeabs.peaks (3.07, 8.40, 104.72 ppm; 3.84 A): 4 out of 10 assignments used, quality = 0.85: * HB3 ASP 30 + H GLY 31 OK 78 100 - 78 - 4.4=67, 1.8/6143=25, 10824/4.6=8 HB2 TYR 27 + H GLY 31 OK 17 92 - 19 - 1.8/6143=6, 293/4.4=5...(5) HE2 LYS 86 + H GLY 31 OK 12 100 - 12 - 398/3.6=4, 395/4.4=3, 6138/4.7=2 HE3 LYS 86 + H GLY 31 OK 12 99 - 12 - 398/3.6=4, 395/4.4=3, 6138/4.7=2 HD3 ARG 49 - H GLY 31 lone 3 81 - 4 - 10824/4.6=1 HB3 TRP 88 - H GLY 31 lone 3 100 - 3 - HE3 LYS 34 - H GLY 31 lone 2 89 - 3 - 6138/4.7=1 HA TYR 119 - H GLY 31 lone 2 62 - 3 - 10824/4.6=2 HE2 LYS 34 - H GLY 31 lone 2 72 - 2 - HA2 GLY 78 - H GLY 31 lone 1 72 - 1 - Peak 6145 from nnoeabs.peaks (3.60, 8.40, 104.72 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 31 + H GLY 31 OK 100 100 - 100 - 3.0=100 HA ARG 109 - H GLY 31 poor 8 72 - 11 - 407/3.0=3, ~3531=2...(6) Peak 6146 from nnoeabs.peaks (4.47, 8.40, 104.72 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 31 + H GLY 31 OK 100 100 - 100 - 3.0=100 HA SER 103 - H GLY 31 OK 31 100 - 31 - 404/3.0=6, 3383=5...(13) HA ASP 137 - H GLY 31 lone 8 98 - 8 - 6151/4.6=2, 404/3.0=2 HA ASP 41 - H GLY 31 lone 3 92 - 4 - HA SER 44 - H GLY 31 lone 3 100 - 2 - Peak 6147 from nnoeabs.peaks (8.26, 8.40, 104.72 ppm; 4.11 A): 2 out of 5 assignments used, quality = 0.86: * H ASP 32 + H GLY 31 OK 83 100 - 83 - 4.6=71, 9770/3.6=16...(5) H ALA 105 + H GLY 31 OK 19 96 - 20 - 9209/3.0=6, 9229/4.4=4...(5) H LEU 39 - H GLY 31 lone 5 85 - 6 - 8081/4.7=2, 9770/3.6=2 H GLY 143 - H GLY 31 lone 4 92 - 4 - 9770/3.6=1, 8081/4.7=1 H GLN 25 - H GLY 31 lone 4 72 - 5 - 8081/4.7=2, 9770/3.6=2 Peak 6148 from nnoeabs.peaks (8.26, 8.26, 125.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 32 + H ASP 32 OK 100 100 - 100 Peak 6149 from nnoeabs.peaks (8.40, 8.26, 125.08 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.80: * H GLY 31 + H ASP 32 OK 76 100 - 76 - 4.6=61, 3.6/9770=14...(5) H SER 103 + H ASP 32 OK 16 100 - 16 - 406/3.5=7, 402/3.5=5...(4) H TYR 117 - H ASP 32 lone 7 100 - 7 - 9386/4.0=2 H GLU 75 - H ASP 32 lone 3 81 - 4 - Peak 6150 from nnoeabs.peaks (3.60, 8.26, 125.08 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 31 + H ASP 32 OK 100 100 - 100 - 3.5=100 HA ARG 109 - H ASP 32 lone 4 72 - 5 - 407/3.5=3, 6145/4.6=2 Peak 6151 from nnoeabs.peaks (4.47, 8.26, 125.08 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 31 + H ASP 32 OK 100 100 - 100 - 3.5=100 HA SER 103 - H ASP 32 OK 17 100 - 17 - 404/3.5=5, 3.0/6149=5...(4) HA ASP 137 - H ASP 32 OK 14 98 - 14 - 3.0/6153=3, ~10351=2...(7) HA ASP 41 - H ASP 32 lone 2 92 - 2 - HA SER 44 - H ASP 32 lone 2 100 - 2 - Peak 6152 from nnoeabs.peaks (4.64, 8.26, 125.08 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 32 + H ASP 32 OK 100 100 - 100 - 3.0=100 HA GLN 111 - H ASP 32 OK 13 100 - 13 - 10243/10814=2...(7) HG1 THR 110 - H ASP 32 OK 12 100 - 11 - ~9293=2, 424/4.8=2...(5) HA LEU 87 - H ASP 32 OK 11 100 - 11 - 415/4.0=2, 419/4.0=2...(5) HA ASN 139 - H ASP 32 poor 9 92 - 10 - 415/4.0=2, 422/4.8=1...(4) Peak 6153 from nnoeabs.peaks (2.69, 8.26, 125.08 ppm; 3.01 A): 2 out of 6 assignments used, quality = 0.72: * HB2 ASP 32 + H ASP 32 OK 66 100 - 66 - 4.0=41, 1.8/6154=30...(6) HB3 TYR 115 + H ASP 32 OK 20 100 - 20 - 2.9/10812=9, 412/3.0=4...(5) HB3 ASP 13 - H ASP 32 poor 9 92 - 10 - 3.0/10812=5, 412/3.0=2 HB2 ASP 137 - H ASP 32 lone 7 100 - 7 - 412/3.0=2, 3.0/6151=2, 420/4.0=1 HB3 ASP 16 - H ASP 32 lone 5 99 - 5 - 160/3.0=2 HB2 PHE 43 - H ASP 32 lone 3 94 - 3 - Peak 6154 from nnoeabs.peaks (2.89, 8.26, 125.08 ppm; 3.05 A): 1 out of 2 assignments used, quality = 0.62: * HB3 ASP 32 + H ASP 32 OK 62 100 - 62 - 4.0=43, 1.8/414=22...(5) HB2 TYR 119 - H ASP 32 lone 7 96 - 7 - 413/3.0=2, 3.0/10824=2 Peak 6155 from nnoeabs.peaks (8.89, 8.89, 117.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 34 + H LYS 34 OK 100 100 - 100 Peak 6156 from nnoeabs.peaks (4.41, 8.89, 117.43 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.99: * HA PRO 33 + H LYS 34 OK 99 100 - 99 - 3.6=99 HA PRO 57 - H LYS 34 OK 28 100 - 28 - 450/4.3=5, 458/4.3=5...(11) HA ASP 40 - H LYS 34 lone 2 68 - 3 - Peak 6157 from nnoeabs.peaks (2.04, 8.89, 117.43 ppm; 2.96 A): 2 out of 5 assignments used, quality = 0.96: HB3 LYS 34 + H LYS 34 OK 80 92 - 87 - 4.1=39, 1.8/6164=22...(35) * HB2 PRO 33 + H LYS 34 OK 79 100 - 79 - 4.3=33, 2.3/6156=17...(13) HG2 PRO 98 - H LYS 34 OK 19 96 - 20 - 2.3/6164=3, 3276/4.1=2...(8) HB2 GLU 90 - H LYS 34 OK 17 72 - 23 - 2918/3.0=3, ~2925=3...(11) HB2 PRO 52 - H LYS 34 poor 7 62 - 12 - 2.3/6162=4, 443/3.6=2...(4) Peak 6158 from nnoeabs.peaks (2.43, 8.89, 117.43 ppm; 3.92 A): 1 out of 8 assignments used, quality = 0.97: * HB3 PRO 33 + H LYS 34 OK 97 100 - 97 - 4.3=77, 2.3/6156=29...(18) HG2 MET 11 - H LYS 34 OK 37 96 - 38 - 444/3.6=6, 3.0/6164=6...(15) HG2 MET 68 - H LYS 34 OK 23 99 - 23 - 444/3.6=6, 452/4.3=4...(8) HG3 GLN 47 - H LYS 34 OK 17 89 - 19 - 3.5/10803=9, 444/3.6=2...(6) HG2 GLN 47 - H LYS 34 OK 17 89 - 19 - 3.5/10803=9, 444/3.6=2...(6) HG3 GLU 131 - H LYS 34 poor 10 94 - 10 - 444/3.6=2, 452/4.3=1...(5) HG2 GLN 133 - H LYS 34 lone 4 72 - 6 - ~10581=1 HG3 GLN 133 - H LYS 34 lone 4 68 - 5 - ~10581=1 Peak 6159 from nnoeabs.peaks (2.10, 8.89, 117.43 ppm; 3.07 A): 2 out of 8 assignments used, quality = 0.92: * HG2 PRO 33 + H LYS 34 OK 80 100 - 80 - 473=23, 2.3/6162=22...(16) HG3 PRO 33 + H LYS 34 OK 61 81 - 75 - 2.3/6162=22, 1.8/473=20...(14) HB3 LYS 36 - H LYS 34 OK 22 89 - 25 - 10791/3.6=8, 4.5/8094=7...(4) HB VAL 53 - H LYS 34 OK 17 100 - 17 - 10581/3.0=6, 3.0/6162=2...(7) HB3 GLN 25 - H LYS 34 OK 17 99 - 17 - 2.9/6161=4, 445/3.6=2...(7) HG2 PRO 118 - H LYS 34 OK 15 72 - 21 - 2.3/6161=4, ~10581=4...(8) HB3 GLU 142 - H LYS 34 lone 4 100 - 4 - HB2 GLU 131 - H LYS 34 lone 4 72 - 5 - Peak 6160 from nnoeabs.peaks (2.09, 8.89, 117.43 ppm; 3.07 A): 3 out of 11 assignments used, quality = 0.94: * HG3 PRO 33 + H LYS 34 OK 78 100 - 78 - 2.3/6162=22, 481=21...(15) HG2 PRO 33 + H LYS 34 OK 62 81 - 76 - 2.3/6162=22, 1.8/481=18...(16) HB3 LYS 36 + H LYS 34 OK 27 100 - 27 - 10791/3.6=10, 4.5/8094=7...(5) HG2 PRO 118 - H LYS 34 OK 23 100 - 23 - 2.3/6161=4, ~10581=4...(8) HB3 GLN 25 - H LYS 34 OK 15 94 - 16 - 2.9/6161=4, 4.0/10806=2...(7) HB VAL 53 - H LYS 34 OK 13 89 - 14 - 10581/3.0=3, 3.0/6162=2...(6) HB2 GLU 131 - H LYS 34 lone 7 100 - 7 - 4445/4.3=2 HG2 GLU 122 - H LYS 34 lone 5 81 - 7 - 3.0/6166=2 HB3 LYS 61 - H LYS 34 lone 4 62 - 7 - 1.8/6164=2 HB3 GLU 142 - H LYS 34 lone 3 92 - 4 - HB2 PRO 129 - H LYS 34 lone 3 77 - 3 - Peak 6161 from nnoeabs.peaks (4.05, 8.89, 117.43 ppm; 2.90 A): 4 out of 4 assignments used, quality = 0.82: * HD2 PRO 33 + H LYS 34 OK 67 100 - 67 - 2.3/473=15, 2.3/481=15...(14) HA LYS 24 + H LYS 34 OK 20 92 - 22 - 3.0/6168=2, 11319/5.0=2...(11) HA GLN 25 + H LYS 34 OK 16 89 - 18 - 447/3.6=3, 4.8/482=2...(8) HD3 PRO 118 + H LYS 34 OK 16 72 - 22 - ~10581=3, 447/3.6=3...(7) Peak 6162 from nnoeabs.peaks (4.09, 8.89, 117.43 ppm; 2.91 A): 2 out of 5 assignments used, quality = 0.71: * HD3 PRO 33 + H LYS 34 OK 66 100 - 66 - 2.3/473=15, 2.3/481=15...(13) HA PRO 52 + H LYS 34 OK 15 99 - 15 - 448/3.6=3, 456/4.3=3...(6) HA VAL 53 - H LYS 34 poor 9 68 - 14 - ~10581=2, 3.0/6159=2...(4) HB THR 110 - H LYS 34 lone 3 72 - 4 - HA THR 99 - H LYS 34 lone 2 89 - 3 - Peak 6163 from nnoeabs.peaks (4.07, 8.89, 117.43 ppm; 2.90 A): 1 out of 7 assignments used, quality = 0.98: * HA LYS 34 + H LYS 34 OK 98 100 - 98 - 3.0=95, 3.6/6174=15...(16) HA LEU 26 - H LYS 34 OK 35 100 - 35 - 482=8, 3.0/6167=4...(11) HA GLU 90 - H LYS 34 OK 23 100 - 23 - 2909/4.1=4, 494/4.1=3...(10) HD3 PRO 118 - H LYS 34 OK 22 89 - 25 - 448/3.6=3, ~10581=3...(8) HA VAL 53 - H LYS 34 OK 14 96 - 14 - ~10581=2, 3.0/6159=2, 494/4.1=1 HA LYS 24 - H LYS 34 OK 13 68 - 19 - 3.0/6169=2, 3.6/10806=2...(7) HA LEU 132 - H LYS 34 lone 9 100 - 9 - 3.7/10797=1 Peak 6164 from nnoeabs.peaks (1.96, 8.89, 117.43 ppm; 2.78 A): 3 out of 7 assignments used, quality = 0.86: * HB2 LYS 34 + H LYS 34 OK 81 100 - 81 - 4.1=32, 2.9/526=13...(29) HB3 MET 11 + H LYS 34 OK 20 100 - 20 - 484/3.0=4, 493=3...(9) HB3 PRO 98 + H LYS 34 OK 12 77 - 16 - 484/3.0=3, 2.3/6157=2...(6) HB3 ARG 124 - H LYS 34 poor 8 81 - 10 - 3.0/10798=2, 484/3.0=1...(4) HB2 LYS 61 - H LYS 34 lone 6 96 - 6 - 484/3.0=1 HB ILE 56 - H LYS 34 lone 3 92 - 4 - HB3 GLU 75 - H LYS 34 lone 1 72 - 1 - Peak 6165 from nnoeabs.peaks (2.03, 8.89, 117.43 ppm; 2.96 A): 2 out of 4 assignments used, quality = 0.97: * HB3 LYS 34 + H LYS 34 OK 87 100 - 87 - 4.1=39, 1.8/6164=22...(35) HB2 PRO 33 + H LYS 34 OK 73 92 - 80 - 4.3=33, 2.3/6156=17...(13) HB2 GLU 90 - H LYS 34 OK 25 98 - 25 - 2918/3.0=5, ~2925=3...(12) HG2 PRO 98 - H LYS 34 OK 13 68 - 19 - 2.3/6164=3, 496/4.1=2...(8) Peak 6166 from nnoeabs.peaks (1.50, 8.89, 117.43 ppm; 3.17 A): 3 out of 5 assignments used, quality = 0.91: * HG2 LYS 34 + H LYS 34 OK 88 100 - 88 - 515=29, 1.8/526=23...(32) HG13 ILE 101 + H LYS 34 OK 19 89 - 22 - 10180/4.1=4, 486/3.0=3...(8) HB3 LEU 29 + H LYS 34 OK 13 77 - 17 - 6178/4.6=2, 4.2/6172=2...(10) HB2 GLU 122 - H LYS 34 poor 9 85 - 11 - 497/4.1=1, 486/3.0=1, 508/4.1=1 HD3 LYS 114 - H LYS 34 lone 9 94 - 9 - 6178/4.6=3, 486/3.0=1, 497/4.1=1 Peak 6167 from nnoeabs.peaks (1.63, 8.89, 117.43 ppm; 2.97 A): 3 out of 7 assignments used, quality = 0.90: * HG3 LYS 34 + H LYS 34 OK 82 100 - 82 - 526=24, 1.8/515=20...(29) HB3 LEU 26 + H LYS 34 OK 29 94 - 31 - 3.0/482=5, 252/3.0=3...(13) HD2 LYS 24 + H LYS 34 OK 22 100 - 22 - 487/3.0=4, 498/4.1=2...(9) HB2 LEU 87 - H LYS 34 poor 9 72 - 13 - 3.0/10798=3, 487/3.0=3...(5) HB3 LEU 64 - H LYS 34 lone 7 77 - 9 - 498/4.1=2, 487/3.0=2...(4) HG3 ARG 49 - H LYS 34 lone 3 68 - 5 - 1.8/10797=1 HG3 ARG 144 - H LYS 34 lone 1 77 - 1 - Peak 6168 from nnoeabs.peaks (1.79, 8.89, 117.43 ppm; 3.22 A): 2 out of 9 assignments used, quality = 0.98: * HD2 LYS 34 + H LYS 34 OK 87 100 - 87 - 2.9/526=18, 2.9/515=18...(39) HD3 LYS 34 + H LYS 34 OK 87 100 - 87 - 2.9/526=18, 2.9/515=18...(39) HB3 LYS 24 - H LYS 34 OK 31 98 - 31 - 3.0/6161=5, 3.7/6167=3...(15) HD3 LYS 86 - H LYS 34 OK 25 92 - 27 - 3.0/10797=4, 488/3.0=3...(12) HG2 PRO 57 - H LYS 34 OK 17 89 - 19 - 3.8/6156=4, 1529/3.6=4...(8) HB2 ARG 124 - H LYS 34 OK 12 89 - 13 - 1.8/6164=3, 3.0/10798=2...(4) HG LEU 72 - H LYS 34 lone 7 92 - 8 - 499/4.1=1, 488/3.0=1 HB3 ARG 145 - H LYS 34 lone 2 100 - 2 - HB3 MET 59 - H LYS 34 lone 1 62 - 2 - Peak 6169 from nnoeabs.peaks (1.79, 8.89, 117.43 ppm; 3.22 A): 2 out of 9 assignments used, quality = 0.98: HD2 LYS 34 + H LYS 34 OK 87 100 - 87 - 2.9/526=18, 2.9/515=18...(39) * HD3 LYS 34 + H LYS 34 OK 87 100 - 87 - 2.9/526=18, 2.9/515=18...(39) HB3 LYS 24 - H LYS 34 OK 31 98 - 31 - 3.0/6161=5, 3.7/6167=3...(15) HD3 LYS 86 - H LYS 34 OK 25 92 - 27 - 3.0/10797=4, 488/3.0=3...(12) HG2 PRO 57 - H LYS 34 OK 17 89 - 19 - 3.8/6156=4, 1529/3.6=4...(8) HB2 ARG 124 - H LYS 34 OK 12 89 - 13 - 1.8/6164=3, 3.0/10798=2...(4) HG LEU 72 - H LYS 34 lone 7 92 - 8 - 499/4.1=1, 488/3.0=1 HB3 ARG 145 - H LYS 34 lone 2 100 - 2 - HB3 MET 59 - H LYS 34 lone 1 62 - 2 - Peak 6170 from nnoeabs.peaks (3.05, 8.89, 117.43 ppm; 4.96 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 34 + H LYS 34 OK 96 100 - 96 - 7.2=32, 3.7/526=31...(24) HE3 LYS 34 + H LYS 34 OK 95 99 - 96 - 7.2=32, 3.7/526=31...(24) HE3 LYS 86 + H LYS 34 OK 53 89 - 59 - 3.9/10797=9, 491/3.0=7...(22) HE2 LYS 86 + H LYS 34 OK 51 85 - 60 - 3.9/10797=9, 491/3.0=7...(23) HB2 TYR 27 - H LYS 34 OK 25 98 - 26 - 2.6/8094=7, ~10889=3...(10) HB2 PHE 67 - H LYS 34 OK 20 72 - 27 - 4.4/10804=17...(6) HB2 HIS 10 - H LYS 34 lone 7 100 - 7 - 490/3.0=2, 501/4.1=1 HB3 ASP 30 - H LYS 34 lone 6 72 - 9 - 3.8/6172=4 HB3 TRP 88 - H LYS 34 lone 3 72 - 4 - 4.2/8094=1 HB3 ASP 65 - H LYS 34 lone 3 72 - 4 - Peak 6171 from nnoeabs.peaks (3.06, 8.89, 117.43 ppm; 4.96 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 34 + H LYS 34 OK 96 100 - 96 - 7.2=32, 3.7/526=31...(24) HE2 LYS 34 + H LYS 34 OK 95 99 - 96 - 7.2=32, 3.7/526=31...(24) HE3 LYS 86 + H LYS 34 OK 59 98 - 60 - 3.9/10797=9, 491/3.0=7...(22) HE2 LYS 86 + H LYS 34 OK 58 96 - 61 - 3.9/10797=9, 491/3.0=7...(23) HB2 TYR 27 - H LYS 34 OK 26 100 - 26 - 2.6/8094=7, ~10889=3...(10) HB3 ASP 30 - H LYS 34 lone 8 89 - 9 - 3.8/6172=4 HB2 HIS 10 - H LYS 34 lone 6 94 - 7 - 490/3.0=2, 501/4.1=2 HB3 TRP 88 - H LYS 34 lone 4 89 - 5 - 4.2/8094=1 Peak 6172 from nnoeabs.peaks (7.31, 8.89, 117.43 ppm; 2.97 A): 1 out of 3 assignments used, quality = 0.69: * H ARG 35 + H LYS 34 OK 69 100 - 70 - 6174=42, 3.6/6163=9...(15) H ASP 30 - H LYS 34 lone 9 100 - 9 - 492/3.0=1, 4.2/6166=1 QD TYR 115 - H LYS 34 lone 9 98 - 9 - 8418/4.3=1, 11171/5.0=1 Peak 6173 from nnoeabs.peaks (7.31, 7.31, 121.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 35 + H ARG 35 OK 100 100 - 100 Peak 6174 from nnoeabs.peaks (8.89, 7.31, 121.11 ppm; 2.94 A): 2 out of 2 assignments used, quality = 0.71: * H LYS 34 + H ARG 35 OK 67 100 - 67 - 6172=39, 6163/3.6=9...(15) H ASN 84 + H ARG 35 OK 12 98 - 13 - 482/3.6=3, 493/4.6=2...(4) Peak 6175 from nnoeabs.peaks (4.07, 7.31, 121.11 ppm; 3.69 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 34 + H ARG 35 OK 100 100 - 100 - 3.6=100 HA LEU 26 + H ARG 35 OK 58 100 - 58 - 10864/4.5=12, 492=8...(16) HA GLU 90 - H ARG 35 OK 19 100 - 19 - 2909/4.6=6, 494/4.6=4...(4) HA LYS 24 - H ARG 35 OK 17 68 - 26 - 11340/4.6=5, 3.0/6181=4...(9) HA VAL 53 - H ARG 35 OK 13 96 - 14 - 3.2/8236=2, 494/4.6=1...(5) HD3 PRO 118 - H ARG 35 OK 11 89 - 12 - 6163/4.6=2, 494/4.6=1...(4) HA LEU 132 - H ARG 35 lone 7 100 - 7 - 494/4.6=1 Peak 6176 from nnoeabs.peaks (1.96, 7.31, 121.11 ppm; 3.53 A): 3 out of 7 assignments used, quality = 0.87: * HB2 LYS 34 + H ARG 35 OK 80 100 - 80 - 4.6=45, 1.8/6177=22...(10) HB3 PRO 98 + H ARG 35 OK 20 77 - 26 - 2.3/6184=5, 484/3.6=4...(6) HB3 MET 11 + H ARG 35 OK 14 100 - 14 - 484/3.6=5, 6164/4.6=3, 506/4.6=2 HB3 ARG 124 - H ARG 35 lone 7 81 - 8 - 484/3.6=2, 1.8/6180=2...(4) HB2 LYS 61 - H ARG 35 lone 6 96 - 6 - 484/3.6=2 HB ILE 56 - H ARG 35 lone 4 92 - 4 - HB3 GLU 75 - H ARG 35 lone 2 72 - 3 - Peak 6177 from nnoeabs.peaks (2.03, 7.31, 121.11 ppm; 3.27 A): 4 out of 4 assignments used, quality = 0.86: * HB3 LYS 34 + H ARG 35 OK 73 100 - 73 - 4.6=36, 1.8/6176=19...(10) HB2 PRO 33 + H ARG 35 OK 30 92 - 33 - 4.3/6174=15, 485/3.6=5...(5) HG2 PRO 98 + H ARG 35 OK 15 68 - 22 - 1.8/6184=5, 2.3/6176=4...(5) HB2 GLU 90 + H ARG 35 OK 13 98 - 13 - 2918/3.6=5, 496/4.6=2...(4) Peak 6178 from nnoeabs.peaks (1.50, 7.31, 121.11 ppm; 4.10 A): 3 out of 5 assignments used, quality = 0.94: * HG2 LYS 34 + H ARG 35 OK 82 100 - 82 - 2.9/6176=21, 2.9/6177=21...(12) HD3 LYS 114 + H ARG 35 OK 44 94 - 47 - 1.8/6185=7, 3.0/10271=6...(17) HB3 LEU 29 + H ARG 35 OK 42 77 - 54 - 3.1/6188=10, 1.8/354=8...(15) HG13 ILE 101 - H ARG 35 OK 24 89 - 27 - 10180/4.6=6, 497/4.6=5...(6) HB2 GLU 122 - H ARG 35 poor 9 85 - 11 - 497/4.6=2, 486/3.6=2...(4) Peak 6179 from nnoeabs.peaks (1.63, 7.31, 121.11 ppm; 4.05 A): 3 out of 7 assignments used, quality = 0.94: * HG3 LYS 34 + H ARG 35 OK 78 100 - 78 - 2.9/6176=21, 2.9/6177=21...(9) HB3 LEU 26 + H ARG 35 OK 60 94 - 63 - 3.2/10876=11...(22) HD2 LYS 24 + H ARG 35 OK 30 100 - 30 - 487/3.6=6, 498/4.6=4...(9) HG3 ARG 49 - H ARG 35 OK 16 68 - 24 - ~583=3, 3.0/6184=3...(12) HB3 LEU 64 - H ARG 35 OK 13 77 - 17 - 3.1/9848=5, 498/4.6=3...(6) HB2 LEU 87 - H ARG 35 OK 11 72 - 15 - 487/3.6=4, 498/4.6=3...(4) HG3 ARG 144 - H ARG 35 lone 2 77 - 2 - Peak 6180 from nnoeabs.peaks (1.79, 7.31, 121.11 ppm; 3.26 A): 3 out of 9 assignments used, quality = 0.82: * HD2 LYS 34 + H ARG 35 OK 53 100 - 53 - 3.4/6177=13, 3.4/6176=12...(10) HD3 LYS 34 + H ARG 35 OK 53 100 - 53 - 3.4/6177=13, 3.4/6176=12...(10) HB3 LYS 24 + H ARG 35 OK 19 98 - 19 - 3.7/6179=2, 3.0/6185=2...(9) HD3 LYS 86 - H ARG 35 poor 10 92 - 11 - 488/3.6=3, 499/4.6=2...(4) HG2 PRO 57 - H ARG 35 lone 8 89 - 9 - 489/3.6=2, 500/4.6=2...(4) HB2 ARG 124 - H ARG 35 lone 7 89 - 7 - 4207/4.6=2, 1.8/6176=2 HB3 ARG 145 - H ARG 35 lone 4 100 - 4 - 3.0/10521=3 HG LEU 72 - H ARG 35 lone 4 92 - 5 - HB3 MET 59 - H ARG 35 lone 1 62 - 1 - Peak 6181 from nnoeabs.peaks (1.79, 7.31, 121.11 ppm; 3.26 A): 3 out of 9 assignments used, quality = 0.82: HD2 LYS 34 + H ARG 35 OK 53 100 - 53 - 3.4/6177=13, 3.4/6176=12...(10) * HD3 LYS 34 + H ARG 35 OK 53 100 - 53 - 3.4/6177=13, 3.4/6176=12...(10) HB3 LYS 24 + H ARG 35 OK 19 98 - 19 - 3.7/6179=2, 3.0/6185=2...(9) HD3 LYS 86 - H ARG 35 poor 10 92 - 11 - 488/3.6=3, 499/4.6=2...(4) HG2 PRO 57 - H ARG 35 lone 8 89 - 9 - 489/3.6=2, 500/4.6=2...(4) HB2 ARG 124 - H ARG 35 lone 7 89 - 7 - 4207/4.6=2, 1.8/6176=2 HB3 ARG 145 - H ARG 35 lone 4 100 - 4 - 3.0/10521=3 HG LEU 72 - H ARG 35 lone 4 92 - 5 - HB3 MET 59 - H ARG 35 lone 1 62 - 1 - Peak 6184 from nnoeabs.peaks (2.06, 7.31, 121.11 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 35 + H ARG 35 OK 100 100 - 100 - 2.8=100 HB2 LEU 26 - H ARG 35 OK 28 62 - 45 - 3.2/10876=7, 1.8/6179=7...(17) HG3 PRO 98 - H ARG 35 OK 25 100 - 25 - 2.3/6176=4, 1.8/6177=4...(5) HD2 ARG 49 - H ARG 35 OK 14 72 - 19 - 9826/4.6=3, 603/3.6=2...(9) HG2 PRO 98 - H ARG 35 OK 13 77 - 17 - 2.3/6176=4, 603/3.6=2...(4) HB2 PRO 52 - H ARG 35 lone 9 100 - 9 - 6215/6192=2, 603/3.6=1...(4) HB3 GLN 62 - H ARG 35 lone 2 81 - 2 - Peak 6185 from nnoeabs.peaks (1.40, 7.31, 121.11 ppm; 3.39 A): 2 out of 7 assignments used, quality = 0.96: * HB2 ARG 35 + H ARG 35 OK 93 100 - 93 - 3.6=84, 1.8/6186=22...(12) HG2 LYS 36 + H ARG 35 OK 46 94 - 49 - 3.8/11235=14...(12) HD2 LYS 114 - H ARG 35 OK 37 100 - 37 - 1.8/6178=6, 3.0/10271=4...(13) HG2 LYS 24 - H ARG 35 OK 22 94 - 23 - 3.0/6181=3, 3.0/6179=3...(8) HG LEU 116 - H ARG 35 OK 18 100 - 18 - 604/3.6=3, 583/2.8=3...(7) HG3 LYS 93 - H ARG 35 lone 8 85 - 9 - 583/2.8=1, 604/3.6=1 HG2 LYS 86 - H ARG 35 lone 4 68 - 6 - 10797/4.6=2, 3.0/6180=2 Peak 6186 from nnoeabs.peaks (1.77, 7.31, 121.11 ppm; 3.22 A): 2 out of 7 assignments used, quality = 0.91: * HB3 ARG 35 + H ARG 35 OK 85 100 - 85 - 3.6=72, 4.3/6191=13...(8) HG LEU 39 + H ARG 35 OK 44 98 - 45 - 2.1/8132=10, ~8100=8...(11) HB2 PRO 12 - H ARG 35 lone 6 92 - 7 - 584/2.8=2, 596/3.6=2 HB ILE 83 - H ARG 35 lone 5 62 - 8 - 4.7/6174=2, 2513/4.6=2 HG LEU 95 - H ARG 35 lone 4 89 - 4 - 596/3.6=1 HB3 MET 59 - H ARG 35 lone 3 85 - 3 - HB3 ARG 55 - H ARG 35 lone 2 94 - 2 - Peak 6187 from nnoeabs.peaks (1.07, 7.31, 121.11 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 35 + H ARG 35 OK 100 100 - 100 - 4.5=100 QD2 LEU 26 + H ARG 35 OK 72 98 - 74 - 2.1/10876=16, 585/2.8=13...(21) Peak 6188 from nnoeabs.peaks (0.96, 7.31, 121.11 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.98: * HG3 ARG 35 + H ARG 35 OK 95 100 - 95 - 4.5=85, 2.9/6186=23...(13) QD1 LEU 29 + H ARG 35 OK 68 100 - 68 - 386=16, 2.1/378=10...(19) QG2 THR 51 - H ARG 35 OK 34 100 - 34 - 607/3.6=5, 598/3.6=5...(7) Peak 6191 from nnoeabs.peaks (7.19, 7.31, 121.11 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.75: * H LYS 36 + H ARG 35 OK 75 100 - 75 - 4.6=33, 6195/2.8=17...(14) QD TYR 27 - H ARG 35 poor 10 72 - 13 - 647/11235=2, 589/2.8=2...(6) HE3 TRP 88 - H ARG 35 poor 8 77 - 11 - 11066/4.5=3, 589/2.8=3...(4) Peak 6192 from nnoeabs.peaks (7.21, 7.31, 121.11 ppm; 3.12 A): 1 out of 5 assignments used, quality = 0.60: * H GLU 37 + H ARG 35 OK 60 100 - 60 - 6214=20, 3.9/6191=14...(10) QD TYR 27 - H ARG 35 poor 7 68 - 10 - 10889/3.6=2, 8094/4.6=2...(5) HE3 TRP 17 - H ARG 35 lone 6 100 - 6 - 8094/4.6=2 QD PHE 45 - H ARG 35 lone 5 96 - 5 - 657/11235=2 HE3 TRP 88 - H ARG 35 lone 2 62 - 4 - 11066/4.5=2 Peak 6193 from nnoeabs.peaks (7.19, 7.19, 118.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 36 + H LYS 36 OK 100 100 - 100 Peak 6194 from nnoeabs.peaks (7.31, 7.19, 118.11 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.86: * H ARG 35 + H LYS 36 OK 78 100 - 78 - 6191=40, 2.8/6195=17...(14) QD TYR 115 + H LYS 36 OK 23 98 - 24 - 581/3.6=4, 10783/2.8=3...(9) H ASP 30 + H LYS 36 OK 18 100 - 18 - 581/3.6=3, 593/4.3=2...(6) Peak 6195 from nnoeabs.peaks (2.06, 7.19, 118.11 ppm; 3.15 A): 3 out of 7 assignments used, quality = 0.92: * HA ARG 35 + H LYS 36 OK 89 100 - 89 - 3.6=69, 2.8/6191=21...(18) HD2 ARG 49 + H LYS 36 OK 17 72 - 23 - ~8195=6, 9826=3...(9) HB2 PRO 52 + H LYS 36 OK 11 100 - 11 - 6215/3.9=3, 2.3/11711=2...(4) HB2 LEU 26 - H LYS 36 poor 10 62 - 16 - 3.1/6198=4, 603/4.3=4...(6) HG3 PRO 98 - H LYS 36 lone 9 100 - 9 - 6184/4.6=2, 603/4.3=2...(4) HG2 PRO 98 - H LYS 36 lone 5 77 - 6 - 603/4.3=1, 594/4.3=1 HB3 GLN 62 - H LYS 36 lone 1 81 - 1 - Peak 6196 from nnoeabs.peaks (1.40, 7.19, 118.11 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.97: * HB2 ARG 35 + H LYS 36 OK 87 100 - 87 - 4.3=57, 3.6/6191=20...(16) HG2 LYS 36 + H LYS 36 OK 81 94 - 85 - 4.6=45, 3.0/672=15...(18) HG2 LYS 24 - H LYS 36 OK 38 94 - 40 - 4.0/11340=10...(16) HD2 LYS 114 - H LYS 36 OK 38 100 - 38 - 2.9/10263=12...(11) HG LEU 116 - H LYS 36 OK 27 100 - 27 - ~659=4, 651/2.8=3...(11) HG3 LYS 93 - H LYS 36 OK 14 85 - 16 - 676/3.9=2, 651/2.8=2...(5) HG2 LYS 86 - H LYS 36 lone 2 68 - 4 - Peak 6197 from nnoeabs.peaks (1.77, 7.19, 118.11 ppm; 3.46 A): 2 out of 7 assignments used, quality = 0.92: * HB3 ARG 35 + H LYS 36 OK 83 100 - 83 - 4.3=54, 3.6/6191=19...(13) HG LEU 39 + H LYS 36 OK 55 98 - 56 - 2.1/11242=12, ~8104=12...(14) HB2 PRO 12 - H LYS 36 lone 5 92 - 5 - 584/3.6=2, 596/4.3=2 HB3 MET 59 - H LYS 36 lone 3 85 - 4 - HG LEU 95 - H LYS 36 lone 3 89 - 4 - HB3 ARG 55 - H LYS 36 lone 3 94 - 3 - HB ILE 83 - H LYS 36 lone 2 62 - 3 - Peak 6198 from nnoeabs.peaks (1.07, 7.19, 118.11 ppm; 5.50 A): 2 out of 2 assignments used, quality = 0.97: * HG2 ARG 35 + H LYS 36 OK 91 100 - 91 - 4.5/6191=34, 3.9/6195=29...(19) QD2 LEU 26 + H LYS 36 OK 63 98 - 64 - 585/3.6=16...(12) Peak 6199 from nnoeabs.peaks (0.96, 7.19, 118.11 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.93: * HG3 ARG 35 + H LYS 36 OK 81 100 - 81 - 4.5/6191=26, 3.9/6195=23...(14) QD1 LEU 29 + H LYS 36 OK 46 100 - 46 - 6188/4.6=9, 586/3.6=8...(15) QG2 THR 51 + H LYS 36 OK 32 100 - 32 - 607/4.3=5, 598/4.3=5...(10) Peak 6202 from nnoeabs.peaks (3.87, 7.19, 118.11 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + H LYS 36 OK 100 100 - 100 - 2.8=100 Peak 6203 from nnoeabs.peaks (1.87, 7.19, 118.11 ppm; 3.06 A): 5 out of 8 assignments used, quality = 0.93: * HB2 LYS 36 + H LYS 36 OK 74 100 - 74 - 3.9=47, 1.8/672=15...(10) HB3 LYS 48 + H LYS 36 OK 40 100 - 40 - 661=6, 662/2.8=5...(16) HB2 LYS 48 + H LYS 36 OK 39 99 - 39 - 661=6, 662/2.8=5...(15) HB2 ARG 144 + H LYS 36 OK 22 100 - 22 - 1.8/6207=4, 649/2.8=3...(12) HB3 ARG 141 + H LYS 36 OK 12 62 - 20 - 1.8/6208=6, ~654=2...(9) HB3 LYS 85 - H LYS 36 lone 4 81 - 5 - HG LEU 69 - H LYS 36 lone 3 72 - 4 - HB3 LYS 76 - H LYS 36 lone 1 62 - 1 - Peak 6204 from nnoeabs.peaks (2.09, 7.19, 118.11 ppm; 3.05 A): 5 out of 10 assignments used, quality = 0.93: * HB3 LYS 36 + H LYS 36 OK 76 100 - 76 - 3.9=46, 1.8/6203=13...(14) HG3 PRO 33 + H LYS 36 OK 33 100 - 33 - 3.8/10787=7, 2.3/10786=5...(12) HG2 PRO 33 + H LYS 36 OK 30 89 - 34 - 3.8/10787=7, 2.3/10786=5...(13) HB3 GLN 25 + H LYS 36 OK 26 98 - 26 - 1.8/11462=8, 2.9/10786=5...(7) HG2 PRO 118 + H LYS 36 OK 17 99 - 17 - 650/2.8=3, 2.3/10788=2...(9) HB VAL 53 - H LYS 36 lone 6 94 - 6 - HB3 GLU 142 - H LYS 36 lone 5 96 - 5 - HG2 GLU 122 - H LYS 36 lone 4 72 - 5 - 1.8/11711=2 HB2 GLU 131 - H LYS 36 lone 3 99 - 3 - HB2 PRO 129 - H LYS 36 lone 2 68 - 2 - Peak 6205 from nnoeabs.peaks (1.41, 7.19, 118.11 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.97: * HG2 LYS 36 + H LYS 36 OK 86 100 - 86 - 4.6=45, 3.0/672=15...(19) HB2 ARG 35 + H LYS 36 OK 82 94 - 87 - 4.3=57, 3.6/6191=20...(16) HG2 LYS 24 - H LYS 36 OK 41 100 - 41 - 4.0/11340=10...(16) HD2 LYS 114 - H LYS 36 OK 38 99 - 38 - 2.9/10263=12...(11) HG LEU 116 - H LYS 36 OK 23 89 - 26 - ~659=4, 651/2.8=3...(11) HG3 LYS 93 - H LYS 36 OK 17 100 - 17 - 676/3.9=2, 651/2.8=2...(6) HG12 ILE 91 - H LYS 36 OK 14 68 - 21 - 1.8/8997=5, ~8990=3...(6) Peak 6206 from nnoeabs.peaks (1.59, 7.19, 118.11 ppm; 3.80 A): 2 out of 10 assignments used, quality = 0.95: * HG3 LYS 36 + H LYS 36 OK 90 100 - 90 - 4.6=57, 1.8/683=18...(16) HG3 LYS 48 + H LYS 36 OK 45 92 - 49 - 695/2.8=9, 2.9/6203=7...(14) HG2 ARG 144 - H LYS 36 OK 28 89 - 31 - 652/2.8=4, 3.0/6203=4...(13) HG2 ARG 141 - H LYS 36 OK 21 72 - 30 - 2.8/6208=6, 652/2.8=3...(14) HG3 ARG 109 - H LYS 36 OK 15 62 - 24 - 652/2.8=4, 677/3.9=3...(9) HB2 LEU 79 - H LYS 36 lone 10 100 - 10 - 677/3.9=2, 688/4.6=2...(4) HD2 LYS 61 - H LYS 36 lone 6 100 - 6 - HD3 LYS 61 - H LYS 36 lone 6 100 - 6 - HG LEU 108 - H LYS 36 lone 4 68 - 6 - 6221/3.9=2 HB2 LEU 97 - H LYS 36 lone 4 77 - 5 - Peak 6207 from nnoeabs.peaks (1.73, 7.19, 118.11 ppm; 3.52 A): 4 out of 9 assignments used, quality = 0.95: * HD2 LYS 36 + H LYS 36 OK 84 100 - 84 - 5.6=25, 1.8/6208=20...(21) HB2 ARG 49 + H LYS 36 OK 33 89 - 37 - ~8195=8, 3.7/9826=6...(15) HB3 ARG 144 + H LYS 36 OK 31 100 - 31 - 1.8/6203=5, 4894/3.9=4...(12) HB3 GLU 81 + H LYS 36 OK 30 98 - 31 - 705=4, 6222/3.9=4...(12) HB2 GLU 81 - H LYS 36 OK 29 94 - 31 - 1.8/705=4, 6222/3.9=4...(12) HG LEU 66 - H LYS 36 OK 16 92 - 17 - 596/4.3=3, 584/3.6=2...(9) HB3 ARG 109 - H LYS 36 OK 15 85 - 18 - ~660=2, 653/2.8=2...(10) HG3 ARG 140 - H LYS 36 lone 3 92 - 3 - HG3 ARG 89 - H LYS 36 lone 3 94 - 3 - Peak 6208 from nnoeabs.peaks (1.82, 7.19, 118.11 ppm; 3.28 A): 4 out of 6 assignments used, quality = 0.88: * HD3 LYS 36 + H LYS 36 OK 77 100 - 77 - 5.6=20, 717/2.8=17...(19) HB2 ARG 141 + H LYS 36 OK 27 100 - 27 - 654/2.8=5, 679/3.9=4...(11) HB3 MET 68 + H LYS 36 OK 20 100 - 20 - 654/2.8=4, 679/3.9=3...(8) HB2 MET 11 + H LYS 36 OK 12 96 - 12 - 4.2/11711=3, 6223/3.9=2 HB3 LEU 72 - H LYS 36 poor 8 72 - 11 - 654/2.8=2, ~2117=1...(4) HB VAL 80 - H LYS 36 lone 8 99 - 8 - 654/2.8=1, 6223/3.9=1...(4) Peak 6209 from nnoeabs.peaks (3.02, 7.19, 118.11 ppm; 4.40 A): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + H LYS 36 OK 94 100 - 94 - 6.7=28, 3.0/6208=21...(26) HE3 LYS 36 + H LYS 36 OK 94 100 - 94 - 6.7=28, 3.0/6208=21...(26) HD3 ARG 35 + H LYS 36 OK 70 100 - 70 - 3.8/6197=18, 5.4/6191=18...(12) Peak 6210 from nnoeabs.peaks (3.01, 7.19, 118.11 ppm; 4.40 A): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 36 + H LYS 36 OK 94 100 - 94 - 6.7=28, 3.0/6208=21...(26) * HE3 LYS 36 + H LYS 36 OK 94 100 - 94 - 6.7=28, 3.0/6208=21...(26) HD3 ARG 35 + H LYS 36 OK 70 100 - 70 - 3.8/6197=18, 5.4/6191=18...(12) Peak 6213 from nnoeabs.peaks (7.21, 7.21, 115.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H GLU 37 OK 100 100 - 100 Peak 6214 from nnoeabs.peaks (7.31, 7.21, 115.43 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.86: * H ARG 35 + H GLU 37 OK 80 100 - 80 - 6192=38, 6191/3.9=22...(13) QD TYR 115 + H GLU 37 OK 18 98 - 19 - 6194/3.9=5, 10783/3.6=4...(4) H ASP 30 + H GLU 37 OK 13 100 - 13 - 6194/3.9=4, 10783/3.6=2...(4) Peak 6215 from nnoeabs.peaks (2.06, 7.21, 115.43 ppm; 3.12 A): 2 out of 7 assignments used, quality = 0.57: * HA ARG 35 + H GLU 37 OK 48 100 - 49 - 2.8/6192=19, 6234/3.6=12...(9) HB2 PRO 52 + H GLU 37 OK 16 100 - 16 - 2.3/10764=8, 6234/3.6=2...(4) HD2 ARG 49 - H GLU 37 poor 8 72 - 11 - 9826/3.9=3, 6234/3.6=2 HG3 PRO 98 - H GLU 37 lone 7 100 - 7 - 9469/10331=2, 6234/3.6=1...(4) HB2 LEU 26 - H GLU 37 lone 6 62 - 10 - 3.0/10889=2, 3.1/10880=1...(5) HG2 PRO 98 - H GLU 37 lone 3 77 - 4 - HB3 GLN 62 - H GLU 37 lone 1 81 - 2 - Peak 6217 from nnoeabs.peaks (3.87, 7.21, 115.43 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + H GLU 37 OK 100 100 - 100 - 3.6=100 Peak 6218 from nnoeabs.peaks (1.87, 7.21, 115.43 ppm; 3.31 A): 4 out of 8 assignments used, quality = 0.86: * HB2 LYS 36 + H GLU 37 OK 72 100 - 72 - 4.5=39, 1.8/6219=15...(10) HB3 LYS 48 + H GLU 37 OK 25 100 - 25 - 662/3.6=5, 671=4...(7) HB2 LYS 48 + H GLU 37 OK 24 99 - 25 - 662/3.6=5, 6203/3.9=4...(7) HB2 ARG 144 + H GLU 37 OK 15 100 - 15 - 649/3.6=3, 1.8/6222=2...(5) HB3 ARG 141 - H GLU 37 poor 7 62 - 12 - 1.8/6223=4, 649/3.6=2...(5) HG LEU 69 - H GLU 37 lone 5 72 - 7 - 2.1/9880=4, 8597/8564=1 HB3 LYS 85 - H GLU 37 lone 3 81 - 4 - HB3 LYS 76 - H GLU 37 lone 1 62 - 2 - Peak 6219 from nnoeabs.peaks (2.09, 7.21, 115.43 ppm; 3.39 A): 5 out of 10 assignments used, quality = 0.90: * HB3 LYS 36 + H GLU 37 OK 77 100 - 77 - 4.5=42, 1.8/6218=17...(11) HG3 PRO 33 + H GLU 37 OK 26 100 - 26 - 2.3/10764=10, 481/8094=4...(5) HG2 PRO 33 + H GLU 37 OK 23 89 - 26 - 2.3/10764=10, 473/8094=3...(6) HB3 GLN 25 + H GLU 37 OK 16 98 - 16 - 6204/3.9=3, 650/3.6=3...(5) HG2 PRO 118 + H GLU 37 OK 12 99 - 12 - 650/3.6=3, 6204/3.9=2, 664/4.5=2 HG2 GLU 122 - H GLU 37 poor 8 72 - 11 - 1.8/6228=1 HB VAL 53 - H GLU 37 lone 5 94 - 5 - HB3 GLU 142 - H GLU 37 lone 4 96 - 4 - 4.7/6232=1 HB2 GLU 131 - H GLU 37 lone 3 99 - 3 - HB2 PRO 129 - H GLU 37 lone 1 68 - 2 - Peak 6220 from nnoeabs.peaks (1.41, 7.21, 115.43 ppm; 4.10 A): 3 out of 7 assignments used, quality = 0.95: * HG2 LYS 36 + H GLU 37 OK 83 100 - 83 - 693=20, 3.0/6218=17...(23) HB2 ARG 35 + H GLU 37 OK 57 94 - 60 - 3.6/6192=25, 3.0/6215=21...(11) HG12 ILE 91 + H GLU 37 OK 35 68 - 52 - 3.2/8998=19, 2.1/8993=10...(12) HD2 LYS 114 - H GLU 37 OK 22 99 - 23 - 6205/3.9=4, 651/3.6=3...(9) HG2 LYS 24 - H GLU 37 OK 22 100 - 22 - 651/3.6=4, 6205/3.9=4...(7) HG3 LYS 93 - H GLU 37 OK 18 100 - 18 - 676/4.5=2, 651/3.6=2...(7) HG LEU 116 - H GLU 37 OK 17 89 - 19 - 676/4.5=3, 651/3.6=3...(7) Peak 6221 from nnoeabs.peaks (1.59, 7.21, 115.43 ppm; 4.34 A): 3 out of 10 assignments used, quality = 0.92: * HG3 LYS 36 + H GLU 37 OK 83 100 - 83 - 3.0/6218=19, 2.9/6223=19...(19) HG3 LYS 48 + H GLU 37 OK 39 92 - 42 - 695/3.6=10, 2.9/6218=7...(9) HG LEU 108 + H GLU 37 OK 22 68 - 33 - 2.1/9914=19, 2.1/10226=6...(4) HG2 ARG 144 - H GLU 37 OK 22 89 - 25 - 652/3.6=4, 3.0/6218=4...(7) HG2 ARG 141 - H GLU 37 OK 15 72 - 21 - 2.8/6223=5, 652/3.6=3...(7) HG3 ARG 109 - H GLU 37 OK 10 62 - 17 - 652/3.6=4, 677/4.5=4...(7) HB2 LEU 79 - H GLU 37 lone 8 100 - 9 - 677/4.5=2, 652/3.6=1, 6206/3.9=1 HB2 LEU 97 - H GLU 37 lone 5 77 - 7 - 10128/10086=2 HD2 LYS 61 - H GLU 37 lone 5 100 - 5 - HD3 LYS 61 - H GLU 37 lone 5 100 - 5 - Peak 6222 from nnoeabs.peaks (1.73, 7.21, 115.43 ppm; 4.21 A): 3 out of 9 assignments used, quality = 0.96: * HD2 LYS 36 + H GLU 37 OK 79 100 - 79 - 1.8/6223=22, 3.6/6218=16...(12) HB3 GLU 81 + H GLU 37 OK 57 98 - 59 - 3.0/6226=8, 715=8...(24) HB2 GLU 81 + H GLU 37 OK 55 94 - 59 - 3.0/6226=8, 715=6...(24) HB3 ARG 144 - H GLU 37 OK 28 100 - 28 - 1.8/6218=5, 4894/4.5=4...(8) HB2 ARG 49 - H GLU 37 OK 18 89 - 20 - 6207/3.9=4, 653/3.6=3...(6) HG LEU 66 - H GLU 37 OK 12 92 - 13 - 6207/3.9=2, 653/3.6=2, 678/4.5=1 HB3 ARG 109 - H GLU 37 OK 10 85 - 12 - 653/3.6=2, 678/4.5=2...(5) HG3 ARG 89 - H GLU 37 lone 4 94 - 4 - 10096/10086=1 HG3 ARG 140 - H GLU 37 lone 3 92 - 4 - Peak 6223 from nnoeabs.peaks (1.82, 7.21, 115.43 ppm; 3.63 A): 6 out of 6 assignments used, quality = 0.91: * HD3 LYS 36 + H GLU 37 OK 78 100 - 78 - 717/3.6=18, 11486/4.4=15...(19) HB2 ARG 141 + H GLU 37 OK 22 100 - 22 - 654/3.6=5, 679/4.5=4...(7) HB2 MET 11 + H GLU 37 OK 21 96 - 22 - 23/4.0=4, 22/4.4=4...(8) HB3 MET 68 + H GLU 37 OK 16 100 - 16 - 654/3.6=4, 679/4.5=3...(4) HB3 LEU 72 + H GLU 37 OK 11 72 - 15 - 3.1/9959=5, 654/3.6=2...(4) HB VAL 80 + H GLU 37 OK 10 99 - 11 - ~9970=2, 654/3.6=1...(6) Peak 6226 from nnoeabs.peaks (4.02, 7.21, 115.43 ppm; 3.17 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 37 + H GLU 37 OK 100 100 - 100 - 2.8=100 HA GLU 81 - H GLU 37 OK 33 100 - 33 - 749=7, 3.0/6222=4...(15) HA LYS 123 - H GLU 37 OK 12 100 - 12 - 6.2/10331=3, 4100/10159=1 HA VAL 63 - H GLU 37 OK 10 98 - 11 - 6238/3.6=2 HB THR 107 - H GLU 37 lone 10 99 - 10 - 9244/9914=1, 781/4.4=1 HB3 SER 100 - H GLU 37 lone 2 89 - 2 - HB2 SER 103 - H GLU 37 lone 1 89 - 1 - Peak 6227 from nnoeabs.peaks (2.01, 7.21, 115.43 ppm; 2.62 A): 2 out of 7 assignments used, quality = 0.90: * HB2 GLU 37 + H GLU 37 OK 69 100 - 69 - 4.0=29, 3.0/6229=12...(18) HB3 GLU 37 + H GLU 37 OK 69 100 - 69 - 4.0=29, 3.0/6229=12...(19) HB3 GLU 90 - H GLU 37 lone 8 92 - 8 - 4.7/9000=3 QE MET 11 - H GLU 37 lone 7 81 - 9 - 4.2/6223=1, 3.3/6230=1 HG3 PRO 52 - H GLU 37 lone 7 77 - 9 - 2.3/6215=4, 3.8/10764=3 HB2 GLU 90 - H GLU 37 lone 5 68 - 7 - 4.7/9000=3 HG3 GLU 122 - H GLU 37 lone 4 89 - 5 - Peak 6228 from nnoeabs.peaks (2.01, 7.21, 115.43 ppm; 2.62 A): 2 out of 7 assignments used, quality = 0.90: * HB3 GLU 37 + H GLU 37 OK 69 100 - 69 - 4.0=29, 3.0/6229=12...(19) HB2 GLU 37 + H GLU 37 OK 69 100 - 69 - 4.0=29, 3.0/6229=12...(19) QE MET 11 - H GLU 37 poor 9 92 - 10 - 11711/3.9=1, 4.2/6223=1...(5) HG3 PRO 52 - H GLU 37 lone 9 89 - 10 - 2.3/6215=4, 3.8/10764=3 HB3 GLU 90 - H GLU 37 lone 8 98 - 9 - 4.7/9000=3, 2926/4.0=1 HG3 GLU 122 - H GLU 37 lone 5 96 - 5 - HB2 GLN 111 - H GLU 37 lone 3 72 - 4 - 11711/3.9=2 Peak 6229 from nnoeabs.peaks (2.23, 7.21, 115.43 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.92: * HG2 GLU 37 + H GLU 37 OK 91 100 - 91 - 4.4=53, 753/2.8=23...(16) HG2 GLU 28 + H GLU 37 OK 14 72 - 20 - ~8053=3, 753/2.8=3...(9) Peak 6230 from nnoeabs.peaks (2.38, 7.21, 115.43 ppm; 3.37 A): 2 out of 7 assignments used, quality = 0.95: * HG3 GLU 37 + H GLU 37 OK 88 100 - 88 - 4.4=43, 1.8/6229=28...(16) HB ILE 91 + H GLU 37 OK 53 99 - 54 - 2.1/8998=16, 780=11...(12) HG2 MET 46 - H GLU 37 OK 23 98 - 23 - 1.8/8172=6, 4.1/10682=4...(7) HG3 MET 11 - H GLU 37 OK 18 92 - 20 - 754/2.8=3, 3.0/6223=3...(8) HG2 GLN 25 - H GLU 37 OK 14 99 - 14 - 2.9/6219=2, 4.9/6232=2 HG3 MET 59 - H GLU 37 OK 11 99 - 11 - 754/2.8=1 HG2 MET 59 - H GLU 37 OK 10 100 - 10 - 754/2.8=1 Peak 6231 from nnoeabs.peaks (7.87, 7.21, 115.43 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.91: * H PHE 38 + H GLU 37 OK 91 100 - 91 - 3.6=78, 6235/3.9=14...(13) Peak 6232 from nnoeabs.peaks (8.27, 7.21, 115.43 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 39 + H GLU 37 OK 87 100 - 87 - 6256/3.6=38, 6254=32...(13) H ASP 32 + H GLU 37 OK 33 85 - 39 - 4.8/10764=12...(8) H GLN 25 + H GLU 37 OK 33 100 - 33 - 10774/3.9=7, 658/3.6=7...(10) H GLY 143 - H GLU 37 OK 18 100 - 18 - 658/3.6=4, 7867/4.5=3...(4) Peak 6233 from nnoeabs.peaks (7.87, 7.87, 118.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 38 + H PHE 38 OK 100 100 - 100 Peak 6234 from nnoeabs.peaks (2.06, 7.87, 118.84 ppm; 3.41 A): 2 out of 7 assignments used, quality = 0.70: * HA ARG 35 + H PHE 38 OK 66 100 - 66 - 3.6/6235=17, 6215/3.6=13...(13) HB2 PRO 52 + H PHE 38 OK 10 100 - 10 - 6215/3.6=4, 2.3/6240=1 HD2 ARG 49 - H PHE 38 poor 10 72 - 13 - 3.0/9786=2, 6252/4.3=2...(7) HG3 PRO 98 - H PHE 38 lone 7 100 - 7 - 6215/3.6=2 HB2 LEU 26 - H PHE 38 lone 6 62 - 10 - 8759/9960=2, 6215/3.6=2 HG2 PRO 98 - H PHE 38 lone 5 77 - 6 - HB3 GLN 62 - H PHE 38 lone 2 81 - 3 - 8759/9960=1 Peak 6235 from nnoeabs.peaks (7.19, 7.87, 118.84 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.64: * H LYS 36 + H PHE 38 OK 64 100 - 64 - 3.9/6231=24, 3.6/6234=16...(11) HE3 TRP 88 - H PHE 38 poor 10 77 - 13 - 5.0/8107=4, 5.1/787=3...(4) QD TYR 27 - H PHE 38 lone 4 72 - 5 - 647/6236=1 Peak 6236 from nnoeabs.peaks (3.87, 7.87, 118.84 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.95: * HA LYS 36 + H PHE 38 OK 95 100 - 95 - 3.6/6231=50, 6253/4.3=45...(10) Peak 6237 from nnoeabs.peaks (7.21, 7.87, 118.84 ppm; 3.18 A): 1 out of 5 assignments used, quality = 0.88: * H GLU 37 + H PHE 38 OK 88 100 - 88 - 3.6=71, 3.9/6235=13...(14) QD PHE 45 - H PHE 38 lone 7 96 - 7 - 749/3.6=3 HE3 TRP 17 - H PHE 38 lone 6 100 - 6 - 11060/10957=2...(3) HE3 TRP 88 - H PHE 38 lone 5 62 - 8 - 5.0/8107=3, 5.1/787=2 QD TYR 27 - H PHE 38 lone 3 68 - 5 - 6254/4.3=1 Peak 6238 from nnoeabs.peaks (4.02, 7.87, 118.84 ppm; 3.70 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 37 + H PHE 38 OK 100 100 - 100 - 3.6=100 HA GLU 81 - H PHE 38 OK 24 100 - 24 - 755=7, 6226/3.6=5...(9) HA VAL 63 - H PHE 38 OK 16 98 - 16 - ~10936=4, ~8359=2...(6) HA LYS 123 - H PHE 38 lone 8 100 - 8 - 6226/3.6=2 HB THR 107 - H PHE 38 lone 5 99 - 5 - 6226/3.6=2 HB3 SER 100 - H PHE 38 lone 2 89 - 2 - HB2 SER 103 - H PHE 38 lone 1 89 - 1 - Peak 6239 from nnoeabs.peaks (2.01, 7.87, 118.84 ppm; 2.89 A): 2 out of 7 assignments used, quality = 0.84: * HB2 GLU 37 + H PHE 38 OK 60 100 - 60 - 4.6=25, 4.0/6231=14...(7) HB3 GLU 37 + H PHE 38 OK 60 100 - 60 - 4.6=25, 4.0/6231=14...(7) QE MET 11 - H PHE 38 poor 9 81 - 11 - 10670/11054=2...(5) HG3 PRO 52 - H PHE 38 lone 4 77 - 5 - 2.3/6234=2 HB3 GLU 90 - H PHE 38 lone 4 92 - 4 - HB2 GLU 90 - H PHE 38 lone 2 68 - 3 - HG3 GLU 122 - H PHE 38 lone 2 89 - 2 - Peak 6240 from nnoeabs.peaks (2.01, 7.87, 118.84 ppm; 2.89 A): 3 out of 7 assignments used, quality = 0.86: * HB3 GLU 37 + H PHE 38 OK 60 100 - 60 - 4.6=25, 4.0/6231=14...(7) HB2 GLU 37 + H PHE 38 OK 60 100 - 60 - 4.6=25, 4.0/6231=14...(7) QE MET 11 + H PHE 38 OK 11 92 - 12 - 10594/10957=2...(6) HG3 PRO 52 - H PHE 38 lone 5 89 - 5 - 2.3/6234=2 HB3 GLU 90 - H PHE 38 lone 4 98 - 4 - HG3 GLU 122 - H PHE 38 lone 2 96 - 2 - HB2 GLN 111 - H PHE 38 lone 2 72 - 2 - Peak 6241 from nnoeabs.peaks (2.23, 7.87, 118.84 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.87: * HG2 GLU 37 + H PHE 38 OK 87 100 - 87 - 779=50, 6229/3.6=27...(8) HG2 GLU 28 - H PHE 38 poor 8 72 - 11 - 6229/3.6=4, 753/3.6=3...(4) Peak 6242 from nnoeabs.peaks (2.38, 7.87, 118.84 ppm; 4.41 A): 2 out of 7 assignments used, quality = 0.94: * HG3 GLU 37 + H PHE 38 OK 88 100 - 88 - 1.8/779=42, 786=34...(7) HB ILE 91 + H PHE 38 OK 48 99 - 49 - 786=16, 6230/3.6=9...(16) HG2 MET 46 - H PHE 38 OK 20 98 - 21 - 6230/3.6=4, 3.0/6244=3...(9) HG3 MET 11 - H PHE 38 OK 18 92 - 20 - 754/3.6=4, 41/4.6=4...(6) HG2 GLN 25 - H PHE 38 OK 11 99 - 11 - 4.9/6249=3, 6230/3.6=2...(4) HG3 MET 59 - H PHE 38 lone 9 99 - 9 - 6230/3.6=2, 754/3.6=1 HG2 MET 59 - H PHE 38 lone 9 100 - 9 - 6230/3.6=2, 754/3.6=1 Peak 6243 from nnoeabs.peaks (4.17, 7.87, 118.84 ppm; 3.30 A): 1 out of 8 assignments used, quality = 1.00: * HA PHE 38 + H PHE 38 OK 100 100 - 100 - 2.9=100 HA TRP 88 - H PHE 38 OK 27 100 - 27 - 787=7, 790/3.2=3...(11) HA GLU 120 - H PHE 38 OK 22 96 - 23 - 3.0/6244=4, 809/3.2=3...(12) HB3 SER 44 - H PHE 38 OK 12 89 - 14 - 809/3.2=2, 800/3.2=2...(6) HB2 SER 44 - H PHE 38 OK 12 89 - 14 - 809/3.2=2, 800/3.2=2...(6) HA LEU 64 - H PHE 38 OK 11 100 - 11 - 809/3.2=1, 800/3.2=1...(5) HG1 THR 74 - H PHE 38 lone 3 100 - 3 - HA3 GLY 125 - H PHE 38 lone 1 62 - 1 - Peak 6244 from nnoeabs.peaks (2.73, 7.87, 118.84 ppm; 3.27 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PHE 38 + H PHE 38 OK 100 100 - 100 - 3.2=100 HB3 TYR 70 - H PHE 38 OK 30 100 - 30 - 11543/4.3=7, 6258/4.3=4...(11) HB3 GLU 120 - H PHE 38 OK 28 100 - 28 - 810/3.2=4, 789/2.9=4...(16) HB3 MET 46 - H PHE 38 OK 13 92 - 14 - 8105/3.6=3, 2439/3.6=2...(6) HB2 ASN 84 - H PHE 38 poor 9 72 - 12 - ~797=2, 2439/3.6=2, ~796=1 HB2 ASN 96 - H PHE 38 lone 2 89 - 2 - Peak 6245 from nnoeabs.peaks (3.32, 7.87, 118.84 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 38 + H PHE 38 OK 100 100 - 100 - 3.2=100 Peak 6246 from nnoeabs.peaks (6.97, 7.87, 118.84 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.78: * QD PHE 38 + H PHE 38 OK 70 99 - 71 - 4.3=60, 6260/4.3=15...(7) HD2 HIS 10 + H PHE 38 OK 25 81 - 30 - 4.0/11003=8, 4776=5...(9) Peak 6247 from nnoeabs.peaks (6.28, 7.87, 118.84 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.98: * QE PHE 38 + H PHE 38 OK 98 98 - 100 - 6.3=100 Peak 6249 from nnoeabs.peaks (8.27, 7.87, 118.84 ppm; 3.30 A): 2 out of 4 assignments used, quality = 0.78: * H LEU 39 + H PHE 38 OK 75 100 - 75 - 4.3=44, 6259/3.2=18...(11) H GLN 25 + H PHE 38 OK 11 100 - 11 - 6232/3.6=2, 794/2.9=2...(5) H ASP 32 - H PHE 38 poor 9 85 - 10 - 6232/3.6=3, 806/3.2=2...(5) H GLY 143 - H PHE 38 lone 7 100 - 7 - 6232/3.6=1, 794/2.9=1...(4) Peak 6250 from nnoeabs.peaks (8.57, 7.87, 118.84 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.91: * H ASP 40 + H PHE 38 OK 88 100 - 88 - 6274=50, 4.1/6256=36...(13) H LEU 72 + H PHE 38 OK 20 98 - 20 - 6269/4.3=8, ~6725=3...(6) H LYS 85 + H PHE 38 OK 10 77 - 13 - 756/3.6=4, 6269/4.3=2...(4) Peak 6251 from nnoeabs.peaks (8.27, 8.27, 119.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 39 + H LEU 39 OK 100 100 - 100 Peak 6252 from nnoeabs.peaks (2.06, 8.27, 119.51 ppm; 4.63 A): 4 out of 7 assignments used, quality = 0.92: * HA ARG 35 + H LEU 39 OK 85 100 - 85 - 4.9/6253=22, 8100/4.3=21...(17) HD2 ARG 49 + H LEU 39 OK 27 72 - 38 - 3.0/6265=5, ~10661=5...(14) HB2 LEU 26 + H LEU 39 OK 15 62 - 24 - 8114/4.3=7, ~10570=5...(8) HB2 PRO 52 + H LEU 39 OK 11 100 - 11 - 6234/4.3=3, 6215/6254=2...(5) HG3 PRO 98 - H LEU 39 lone 9 100 - 9 - 6234/4.3=2, 798/4.4=2, 807/4.4=1 HG2 PRO 98 - H LEU 39 lone 5 77 - 7 - 6234/4.3=1, 798/4.4=1, 807/4.4=1 HB3 GLN 62 - H LEU 39 lone 2 81 - 3 - Peak 6253 from nnoeabs.peaks (3.87, 8.27, 119.51 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.84: * HA LYS 36 + H LEU 39 OK 84 100 - 84 - 8104/4.3=27, 3.6/6254=19...(13) Peak 6254 from nnoeabs.peaks (7.21, 8.27, 119.51 ppm; 4.54 A): 3 out of 5 assignments used, quality = 0.87: * H GLU 37 + H LEU 39 OK 82 100 - 82 - 3.6/6256=34, 3.6/6253=28...(13) QD TYR 27 + H LEU 39 OK 16 68 - 23 - ~4809=10, ~4791=5...(5) HE3 TRP 17 + H LEU 39 OK 13 100 - 13 - 8127/4.3=5, 657/6253=2...(5) QD PHE 45 - H LEU 39 lone 10 96 - 10 - 657/6253=4, 6237/4.3=2 HE3 TRP 88 - H LEU 39 poor 6 62 - 10 - 5.1/6257=3, 2822/3.6=2...(4) Peak 6256 from nnoeabs.peaks (7.87, 8.27, 119.51 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.90: * H PHE 38 + H LEU 39 OK 90 100 - 90 - 4.3=68, 3.2/6259=25...(12) Peak 6257 from nnoeabs.peaks (4.17, 8.27, 119.51 ppm; 4.23 A): 1 out of 8 assignments used, quality = 1.00: * HA PHE 38 + H LEU 39 OK 100 100 - 100 - 3.6=100 HA TRP 88 - H LEU 39 OK 30 100 - 30 - 794=6, 787/4.3=5...(10) HA GLU 120 - H LEU 39 OK 19 96 - 20 - 809/4.4=4, 800/4.4=4...(7) HA LEU 64 - H LEU 39 OK 15 100 - 15 - 8128/4.8=2, ~11063=2...(7) HB2 SER 44 - H LEU 39 OK 11 89 - 12 - 6275/4.1=3, 809/4.4=3...(5) HB3 SER 44 - H LEU 39 OK 11 89 - 12 - 6275/4.1=3, 809/4.4=2...(5) HG1 THR 74 - H LEU 39 lone 6 100 - 5 - 6275/4.1=1 HA3 GLY 125 - H LEU 39 lone 1 62 - 1 - Peak 6258 from nnoeabs.peaks (2.73, 8.27, 119.51 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.97: * HB2 PHE 38 + H LEU 39 OK 92 100 - 92 - 4.4=72, 1.8/6259=35...(9) HB3 TYR 70 + H LEU 39 OK 57 100 - 57 - 11543/5.0=11, 1.8/6263=9...(16) HB3 GLU 120 - H LEU 39 OK 19 100 - 19 - 789/3.6=4, 810/4.4=4...(5) HB3 MET 46 - H LEU 39 OK 17 92 - 18 - ~10501=2, 6244/4.3=2...(8) HB2 ASN 84 - H LEU 39 OK 11 72 - 15 - 2560/4.1=3, ~8854=2...(7) HB2 ASN 96 - H LEU 39 lone 2 89 - 2 - Peak 6259 from nnoeabs.peaks (3.32, 8.27, 119.51 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.95: * HB3 PHE 38 + H LEU 39 OK 95 100 - 95 - 4.4=84, 3.2/6256=32...(8) Peak 6260 from nnoeabs.peaks (6.97, 8.27, 119.51 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.86: * QD PHE 38 + H LEU 39 OK 83 99 - 84 - 5.0=41, 2.6/6259=26...(14) HD2 HIS 10 + H LEU 39 OK 19 81 - 24 - 6246/4.3=5, 791/3.6=4...(7) Peak 6263 from nnoeabs.peaks (3.14, 8.27, 119.51 ppm; 4.40 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 39 + H LEU 39 OK 100 100 - 100 - 2.9=100 HB2 TYR 70 + H LEU 39 OK 55 96 - 58 - 1.8/6258=13, 8484/3.3=9...(15) HA VAL 80 - H LEU 39 OK 38 94 - 40 - 862/4.8=6, 854/4.3=5...(15) HB2 TRP 17 - H LEU 39 poor 8 77 - 11 - 4.2/6254=3, 4.0/11274=2 Peak 6264 from nnoeabs.peaks (0.98, 8.27, 119.51 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + H LEU 39 OK 100 100 - 100 - 3.3=100 QD1 LEU 116 + H LEU 39 OK 53 89 - 60 - 839/3.3=8, 3.1/10759=8...(21) HG12 ILE 136 - H LEU 39 OK 38 85 - 44 - 839/3.3=6, 818/2.9=5...(14) Peak 6265 from nnoeabs.peaks (1.38, 8.27, 119.51 ppm; 3.79 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + H LEU 39 OK 100 100 - 100 - 3.3=100 HG2 ARG 49 - H LEU 39 OK 31 85 - 36 - 8195/6253=5, 3.0/6252=4...(20) HG LEU 132 - H LEU 39 OK 26 100 - 27 - 831/3.3=3, 856/4.3=3...(14) HB VAL 82 - H LEU 39 OK 26 98 - 26 - ~9987=5, 831/3.3=3...(12) HB2 LEU 69 - H LEU 39 OK 22 94 - 24 - 6279/4.1=3, 831/3.3=3...(9) HB2 ARG 109 - H LEU 39 OK 22 99 - 22 - 9273/4.8=3, 831/3.3=3...(11) HG2 LYS 86 - H LEU 39 lone 5 68 - 7 - Peak 6266 from nnoeabs.peaks (1.77, 8.27, 119.51 ppm; 3.63 A): 4 out of 8 assignments used, quality = 0.93: * HG LEU 39 + H LEU 39 OK 83 100 - 83 - 4.7=47, 2.1/6267=33...(11) HB3 ARG 35 + H LEU 39 OK 40 98 - 41 - 3.0/6252=11, 9785/4.3=7...(10) HG LEU 72 + H LEU 39 OK 20 77 - 26 - 2.1/10227=11, 6280/4.1=5...(8) HB3 ARG 55 + H LEU 39 OK 12 100 - 12 - 4.0/10614=3, 857/4.3=2...(5) HB3 MET 59 - H LEU 39 lone 6 98 - 6 - HG2 PRO 57 - H LEU 39 lone 4 81 - 5 - 6280/4.1=2 HB2 PRO 12 - H LEU 39 lone 3 72 - 4 - HG LEU 95 - H LEU 39 lone 3 68 - 4 - Peak 6267 from nnoeabs.peaks (0.02, 8.27, 119.51 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.88: * QD1 LEU 39 + H LEU 39 OK 88 100 - 88 - 4.3=64, 2.1/861=20...(12) Peak 6268 from nnoeabs.peaks (0.67, 8.27, 119.51 ppm; 3.66 A): 3 out of 4 assignments used, quality = 0.96: * QD2 LEU 39 + H LEU 39 OK 85 100 - 85 - 4.8=44, 2.1/6267=34...(10) QD2 LEU 66 + H LEU 39 OK 57 100 - 57 - 8394/5.0=12, 8402/4.4=9...(15) HB3 LEU 116 + H LEU 39 OK 39 81 - 47 - 1.8/10759=8, 3.1/6264=7...(17) QD1 ILE 83 - H LEU 39 OK 34 94 - 36 - 822/2.9=5, 843/3.3=5...(14) Peak 6269 from nnoeabs.peaks (8.57, 8.27, 119.51 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.91: * H ASP 40 + H LEU 39 OK 87 100 - 87 - 4.1=69, 6274/4.3=13...(10) H LEU 72 + H LEU 39 OK 29 98 - 30 - 4.9/10227=7, 852/4.7=7...(9) H LYS 85 - H LEU 39 lone 7 77 - 9 - ~6918=2, 844/3.3=1...(5) Peak 6271 from nnoeabs.peaks (8.57, 8.57, 116.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 40 + H ASP 40 OK 100 100 - 100 Peak 6272 from nnoeabs.peaks (3.87, 8.57, 116.81 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.90: * HA LYS 36 + H ASP 40 OK 90 100 - 90 - 6253/4.1=41, 659/4.3=21...(20) Peak 6273 from nnoeabs.peaks (4.02, 8.57, 116.81 ppm; 3.74 A): 3 out of 7 assignments used, quality = 0.81: * HA GLU 37 + H ASP 40 OK 62 100 - 62 - 756=19, 3.6/6274=16...(10) HA VAL 63 + H ASP 40 OK 32 98 - 33 - 883/3.3=4, 877/3.3=4...(12) HA GLU 81 + H ASP 40 OK 26 100 - 26 - 756=7, 757/3.3=3...(9) HA LYS 123 - H ASP 40 lone 5 100 - 5 - HB THR 107 - H ASP 40 lone 4 99 - 4 - HB3 SER 100 - H ASP 40 lone 2 89 - 2 - HB2 SER 103 - H ASP 40 lone 2 89 - 2 - Peak 6274 from nnoeabs.peaks (7.87, 8.57, 116.81 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.85: * H PHE 38 + H ASP 40 OK 85 100 - 85 - 6250=37, 6256/4.1=36...(13) Peak 6275 from nnoeabs.peaks (4.17, 8.57, 116.81 ppm; 4.27 A): 5 out of 8 assignments used, quality = 0.89: * HA PHE 38 + H ASP 40 OK 71 100 - 71 - 2.9/6274=25, 3.6/6269=23...(12) HB3 SER 44 + H ASP 40 OK 25 89 - 28 - 6290/4.1=7, 10505/3.3=7...(8) HB2 SER 44 + H ASP 40 OK 24 89 - 27 - 6290/4.1=7, 10505/3.3=6...(8) HA TRP 88 + H ASP 40 OK 21 100 - 21 - 6257/4.1=4, 795/4.1=3...(8) HA LEU 64 + H ASP 40 OK 12 100 - 12 - 6257/4.1=2, 8507/2097=1 HG1 THR 74 - H ASP 40 lone 9 100 - 9 - 5.1/6773=3 HA GLU 120 - H ASP 40 lone 8 96 - 9 - 6257/4.1=2, 6243/6274=1 HA3 GLY 125 - H ASP 40 lone 1 62 - 1 - Peak 6276 from nnoeabs.peaks (8.27, 8.57, 116.81 ppm; 3.76 A): 3 out of 4 assignments used, quality = 0.93: * H LEU 39 + H ASP 40 OK 91 100 - 91 - 4.1=75, 4.3/6274=14...(10) H GLN 25 + H ASP 40 OK 15 100 - 15 - 816/3.6=3, 837/4.3=3...(5) H GLY 143 + H ASP 40 OK 11 100 - 11 - 816/3.6=2, 837/4.3=2 H ASP 32 - H ASP 40 poor 9 85 - 11 - 10752/4.3=2, 837/4.3=2 Peak 6277 from nnoeabs.peaks (3.14, 8.57, 116.81 ppm; 6.37 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 39 + H ASP 40 OK 100 100 - 100 - 3.6=100 HB2 TYR 70 + H ASP 40 OK 63 96 - 65 - 3.6/6716=14, 8484/4.3=13...(13) HA VAL 80 + H ASP 40 OK 50 94 - 53 - 4.9/756=9, 829/4.3=8...(17) HB2 TRP 17 - H ASP 40 OK 10 77 - 13 - 6263/4.1=2, 829/4.3=2...(4) Peak 6278 from nnoeabs.peaks (0.98, 8.57, 116.81 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + H ASP 40 OK 100 100 - 100 - 4.3=100 QD1 LEU 116 + H ASP 40 OK 46 89 - 52 - 9373/3.6=10, 839/4.3=10...(18) HG12 ILE 136 - H ASP 40 OK 32 85 - 37 - 839/4.3=8, 818/3.6=7...(12) Peak 6279 from nnoeabs.peaks (1.38, 8.57, 116.81 ppm; 3.53 A): 6 out of 7 assignments used, quality = 0.90: * HB3 LEU 39 + H ASP 40 OK 78 100 - 78 - 4.3=56, 3.3/6269=17...(7) HB2 LEU 69 + H ASP 40 OK 23 94 - 24 - 4.0/6287=7, 3.0/2007=4...(7) HB VAL 82 + H ASP 40 OK 15 98 - 15 - 6265/4.1=2, 831/4.3=2...(6) HG2 ARG 49 + H ASP 40 OK 13 85 - 16 - 8195/6272=3, 6265/4.1=2...(5) HG LEU 132 + H ASP 40 OK 12 100 - 12 - 831/4.3=2, 6265/4.1=2, 819/3.6=1 HB2 ARG 109 + H ASP 40 OK 11 99 - 11 - 831/4.3=2, 6265/4.1=2 HG2 LYS 86 - H ASP 40 lone 4 68 - 6 - 4.9/6969=1, 3.9/8867=1 Peak 6280 from nnoeabs.peaks (1.77, 8.57, 116.81 ppm; 3.60 A): 4 out of 8 assignments used, quality = 0.82: * HG LEU 39 + H ASP 40 OK 64 100 - 64 - 852=23, 2.1/6281=17...(8) HG LEU 72 + H ASP 40 OK 34 77 - 45 - 2.1/2149=10, 2.1/2141=10...(12) HB3 ARG 35 + H ASP 40 OK 17 98 - 18 - 6266/4.1=5, 832/4.3=3...(7) HG2 PRO 57 + H ASP 40 OK 11 81 - 13 - 1529/2.9=1 HB3 ARG 55 - H ASP 40 lone 7 100 - 7 - 6266/4.1=1, 1412/3.6=1 HB3 MET 59 - H ASP 40 lone 6 98 - 6 - HB2 PRO 12 - H ASP 40 lone 2 72 - 3 - HG LEU 95 - H ASP 40 lone 2 68 - 3 - Peak 6281 from nnoeabs.peaks (0.02, 8.57, 116.81 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.87: * QD1 LEU 39 + H ASP 40 OK 87 100 - 87 - 6267/4.1=37, 2.1/868=29...(13) Peak 6282 from nnoeabs.peaks (0.67, 8.57, 116.81 ppm; 3.90 A): 4 out of 4 assignments used, quality = 0.89: * QD2 LEU 39 + H ASP 40 OK 71 100 - 71 - 2.1/6281=21, 2.1/852=20...(11) QD2 LEU 66 + H ASP 40 OK 35 100 - 35 - 822/3.6=6, 6268/4.1=6...(9) QD1 ILE 83 + H ASP 40 OK 29 94 - 30 - 822/3.6=4, 843/4.3=4...(11) HB3 LEU 116 + H ASP 40 OK 20 81 - 24 - 3.1/6278=5, 822/3.6=5...(7) Peak 6283 from nnoeabs.peaks (4.42, 8.57, 116.81 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 40 + H ASP 40 OK 100 100 - 100 - 2.9=100 HA ASN 84 - H ASP 40 OK 25 89 - 28 - 2552=3, 2.9/6934=3...(14) HA ILE 58 - H ASP 40 OK 11 92 - 12 - 10955/6273=1, 885/3.3=1...(6) HA PRO 57 - H ASP 40 lone 4 62 - 6 - 3.8/6280=1 HA PRO 33 - H ASP 40 lone 1 68 - 2 - Peak 6284 from nnoeabs.peaks (2.83, 8.57, 116.81 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 40 + H ASP 40 OK 100 100 - 100 - 3.3=100 HB3 ASN 54 - H ASP 40 OK 44 99 - 45 - 1.8/6285=6, 871/2.9=5...(25) HE3 LYS 114 - H ASP 40 OK 36 94 - 38 - 1.8/6285=6, 886/3.3=5...(18) HB2 ASN 139 - H ASP 40 OK 25 99 - 25 - 871/2.9=4, 886/3.3=4...(11) HB2 ASN 130 - H ASP 40 lone 5 99 - 5 - Peak 6285 from nnoeabs.peaks (2.75, 8.57, 116.81 ppm; 3.09 A): 3 out of 9 assignments used, quality = 0.94: * HB3 ASP 40 + H ASP 40 OK 87 100 - 87 - 3.3=84, 4.4/6293=10, 758/6273=1 HB2 ASN 54 + H ASP 40 OK 34 99 - 35 - 1.8/6284=7, 876/2.9=4...(18) HE2 LYS 114 + H ASP 40 OK 32 98 - 33 - 1.8/6284=5, 6296/4.1=4...(14) HB3 PHE 43 - H ASP 40 OK 23 92 - 25 - ~875=7, ~875=6...(8) HE2 LYS 76 - H ASP 40 lone 9 99 - 9 - HG3 MET 113 - H ASP 40 lone 8 98 - 8 - 6296/4.1=1 HE3 LYS 76 - H ASP 40 lone 8 92 - 8 - HB3 ASP 137 - H ASP 40 lone 7 92 - 8 - ~875=2, ~875=1...(4) HB2 ASN 96 - H ASP 40 lone 1 57 - 1 - Peak 6286 from nnoeabs.peaks (7.38, 8.57, 116.81 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.85: * H ASP 41 + H ASP 40 OK 81 100 - 81 - 4.1=68, 3.7/6287=14...(7) H LYS 114 + H ASP 40 OK 20 96 - 21 - 873/2.9=5, 10748/3.3=3...(9) H ARG 49 - H ASP 40 lone 8 92 - 8 - 10670/4.3=2, 5.0/6279=1...(4) Peak 6287 from nnoeabs.peaks (8.64, 8.57, 116.81 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.69: * H LEU 42 + H ASP 40 OK 54 100 - 54 - 6305=25, 6300/4.1=20...(6) H LEU 69 + H ASP 40 OK 33 98 - 33 - 3.6/9874=6, 4.0/6716=5...(9) Peak 6288 from nnoeabs.peaks (7.38, 7.38, 121.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 41 + H ASP 41 OK 100 100 - 100 Peak 6289 from nnoeabs.peaks (4.02, 7.38, 121.08 ppm; 5.18 A): 3 out of 7 assignments used, quality = 0.79: * HA GLU 37 + H ASP 41 OK 56 100 - 56 - 4.9/795=19, 6273/4.1=17...(6) HA VAL 63 + H ASP 41 OK 36 98 - 37 - 8364/2.9=10, 6273/4.1=9...(6) HA GLU 81 + H ASP 41 OK 26 100 - 26 - 6273/4.1=8, 757/4.4=5...(6) HB2 SER 103 - H ASP 41 lone 8 89 - 9 - 3.0/6297=2, 3389/2.9=1...(4) HB THR 107 - H ASP 41 lone 5 99 - 5 - 6273/4.1=1, 883/4.4=1 HA LYS 123 - H ASP 41 lone 5 100 - 5 - 6273/4.1=1 HB3 SER 100 - H ASP 41 lone 3 89 - 4 - Peak 6290 from nnoeabs.peaks (4.17, 7.38, 121.08 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.96: * HA PHE 38 + H ASP 41 OK 68 100 - 68 - 795=32, 797/3.8=19...(10) HB2 SER 44 + H ASP 41 OK 66 89 - 74 - 895/2.9=12, 3.0/6297=10...(22) HB3 SER 44 + H ASP 41 OK 66 89 - 74 - 895/2.9=12, 3.0/6297=10...(22) HA TRP 88 - H ASP 41 OK 18 100 - 18 - 795=6, 797/3.8=3...(6) HA LEU 64 - H ASP 41 lone 7 100 - 7 - 6275/4.1=2, 6303/3.7=2 HA GLU 120 - H ASP 41 lone 5 96 - 5 - 6275/4.1=1 HG1 THR 74 - H ASP 41 lone 3 100 - 3 - 6275/4.1=1 HA3 GLY 125 - H ASP 41 lone 1 62 - 1 - Peak 6292 from nnoeabs.peaks (3.14, 7.38, 121.08 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.83: * HA LEU 39 + H ASP 41 OK 70 100 - 70 - 3.6/6293=37, 4.9/795=29...(4) HA VAL 80 + H ASP 41 OK 25 94 - 26 - 6277/4.1=8, 4.9/6289=7...(5) HB2 TYR 70 + H ASP 41 OK 24 96 - 25 - 6304/3.7=11, 6277/4.1=10 HB2 TRP 17 - H ASP 41 lone 6 77 - 8 - 6304/3.7=3, 6277/4.1=2 Peak 6293 from nnoeabs.peaks (8.57, 7.38, 121.08 ppm; 3.44 A): 3 out of 3 assignments used, quality = 0.80: * H ASP 40 + H ASP 41 OK 74 100 - 74 - 4.1=59, 6287/3.7=12...(7) H LEU 72 + H ASP 41 OK 14 98 - 15 - 6305/3.7=4, 869/3.6=4...(4) H LYS 85 + H ASP 41 OK 10 77 - 13 - 3.6/6294=3, 869/3.6=3...(7) Peak 6294 from nnoeabs.peaks (4.42, 7.38, 121.08 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 40 + H ASP 41 OK 100 100 - 100 - 3.6=100 HA ASN 84 - H ASP 41 OK 21 89 - 24 - 6283/4.1=4, 3.0/6298=4...(10) HA ILE 58 - H ASP 41 lone 8 92 - 9 - 6283/4.1=2, 885/4.4=2...(5) HA PRO 57 - H ASP 41 lone 2 62 - 3 - HA PRO 33 - H ASP 41 lone 1 68 - 2 - Peak 6295 from nnoeabs.peaks (2.83, 7.38, 121.08 ppm; 3.14 A): 4 out of 5 assignments used, quality = 0.83: * HB2 ASP 40 + H ASP 41 OK 57 100 - 57 - 4.4=37, 3.3/6293=15, 1.8/6296=12 HE3 LYS 114 + H ASP 41 OK 40 94 - 42 - 1.8/6296=8, 3820=7...(15) HB2 ASN 139 + H ASP 41 OK 24 99 - 25 - 1.8/6299=7, ~892=3...(7) HB3 ASN 54 + H ASP 41 OK 13 99 - 14 - 871/3.6=4, 6284/4.1=3...(4) HB2 ASN 130 - H ASP 41 lone 3 99 - 3 - Peak 6296 from nnoeabs.peaks (2.75, 7.38, 121.08 ppm; 3.06 A): 6 out of 9 assignments used, quality = 0.83: * HB3 ASP 40 + H ASP 41 OK 54 100 - 54 - 4.4=34, 3.3/6293=14, 1.8/6295=14 HE2 LYS 114 + H ASP 41 OK 36 98 - 37 - 1.8/6295=10, 3809=4...(13) HB3 PHE 43 + H ASP 41 OK 16 92 - 17 - 3.8/6322=10, 876/3.6=3...(4) HG3 MET 113 + H ASP 41 OK 13 98 - 13 - 3.3/3729=2, 3.0/3696=2...(6) HB2 ASN 54 + H ASP 41 OK 13 99 - 13 - 876/3.6=3, 1.8/6295=3...(4) HB3 ASP 137 + H ASP 41 OK 11 92 - 12 - 4659/2.9=2, 3.0/6297=2...(4) HE2 LYS 76 - H ASP 41 lone 9 99 - 9 - HE3 LYS 76 - H ASP 41 lone 7 92 - 8 - HB2 ASN 96 - H ASP 41 lone 0 57 - 1 - Peak 6297 from nnoeabs.peaks (4.46, 7.38, 121.08 ppm; 3.58 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 41 + H ASP 41 OK 100 100 - 100 - 2.9=100 HA SER 44 + H ASP 41 OK 47 85 - 55 - ~894=9, 3.0/6290=6...(21) HA ASP 137 - H ASP 41 OK 18 100 - 19 - 905/3.8=3, 899/3.8=2...(10) HA SER 103 - H ASP 41 lone 6 89 - 6 - HA3 GLY 31 - H ASP 41 lone 2 92 - 2 - Peak 6298 from nnoeabs.peaks (2.77, 7.38, 121.08 ppm; 2.98 A): 3 out of 7 assignments used, quality = 0.78: * HB2 ASP 41 + H ASP 41 OK 67 100 - 67 - 3.8=48, 1.8/6299=25...(4) HE2 LYS 114 + H ASP 41 OK 24 72 - 33 - 1.8/6295=9, 3.0/3787=3...(14) HB3 ASN 84 + H ASP 41 OK 12 89 - 14 - 3.0/6294=3, 2563/3.6=2...(7) HE3 LYS 76 - H ASP 41 lone 6 85 - 7 - HB3 TYR 119 - H ASP 41 lone 6 85 - 7 - 6309/3.7=3, 891/2.9=1, 906/3.8=1 HE2 LYS 76 - H ASP 41 lone 5 68 - 7 - HG3 GLN 111 - H ASP 41 lone 4 92 - 4 - 3.9/3613=2 Peak 6299 from nnoeabs.peaks (2.80, 7.38, 121.08 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.72: * HB3 ASP 41 + H ASP 41 OK 66 100 - 66 - 3.8=50, 1.8/898=19...(4) HB3 ASN 139 + H ASP 41 OK 17 98 - 18 - 1.8/6295=6, 892/2.9=5...(5) HB2 ASN 128 - H ASP 41 lone 6 100 - 6 - 892/2.9=2, 6310/3.7=2, 901/3.8=1 Peak 6300 from nnoeabs.peaks (8.64, 7.38, 121.08 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.92: * H LEU 42 + H ASP 41 OK 91 100 - 91 - 3.7=83, 4.5/6299=14...(6) H LEU 69 + H ASP 41 OK 13 98 - 13 - 6287/4.1=7, 908/3.8=2...(4) Peak 6301 from nnoeabs.peaks (8.76, 7.38, 121.08 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.83: * H PHE 43 + H ASP 41 OK 83 100 - 83 - 6322=44, 6317/3.7=41...(9) Peak 6302 from nnoeabs.peaks (8.64, 8.64, 121.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H LEU 42 OK 100 100 - 100 Peak 6303 from nnoeabs.peaks (4.17, 8.64, 121.36 ppm; 5.86 A): 3 out of 8 assignments used, quality = 0.97: * HA PHE 38 + H LEU 42 OK 81 100 - 81 - 4.7/8166=32, 795/3.7=28...(9) HB2 SER 44 + H LEU 42 OK 60 89 - 68 - 3.9/6342=33, 895/3.6=15...(8) HB3 SER 44 + H LEU 42 OK 60 89 - 68 - 3.9/6342=33, 895/3.6=16...(8) HA TRP 88 - H LEU 42 OK 36 100 - 35 - 8157/4.4=7, 795/3.7=6...(11) HA LEU 64 - H LEU 42 OK 28 100 - 28 - 1814/3.8=7, 3.9/6313=5...(8) HA GLU 120 - H LEU 42 OK 11 96 - 11 - 4765/8166=2, 8930/5.1=2...(4) HG1 THR 74 - H LEU 42 lone 5 100 - 5 - HA3 GLY 125 - H LEU 42 lone 1 62 - 2 - Peak 6304 from nnoeabs.peaks (3.14, 8.64, 121.36 ppm; 5.10 A): 3 out of 4 assignments used, quality = 0.88: * HA LEU 39 + H LEU 42 OK 77 100 - 77 - 3.6/6305=26, 825/3.8=19...(15) HB2 TYR 70 + H LEU 42 OK 35 96 - 37 - 3.6/6703=12, 4.4/6720=9...(9) HA VAL 80 + H LEU 42 OK 19 94 - 20 - 6292/3.7=4, 6320/4.1=3...(9) HB2 TRP 17 - H LEU 42 poor 9 77 - 12 - 8152/5.1=7, 6320/4.1=1 Peak 6305 from nnoeabs.peaks (8.57, 8.64, 121.36 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.71: * H ASP 40 + H LEU 42 OK 63 100 - 63 - 6287=31, 4.1/6300=24...(7) H LEU 72 + H LEU 42 OK 21 98 - 22 - 3.4/6720=7, 6293/3.7=5...(7) H LYS 85 - H LEU 42 poor 9 77 - 12 - 6293/3.7=3, 3.6/6306=2...(4) Peak 6306 from nnoeabs.peaks (4.42, 8.64, 121.36 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.85: * HA ASP 40 + H LEU 42 OK 77 100 - 77 - 3.6/6300=44, 2.9/6305=34...(5) HA ASN 84 + H LEU 42 OK 26 89 - 29 - 6294/3.7=8, 3.0/6309=5...(6) HA ILE 58 + H LEU 42 OK 16 92 - 17 - 1551/4.4=7, 6294/3.7=3...(5) HA PRO 33 - H LEU 42 lone 5 68 - 7 - 2.3/1982=2 HA PRO 57 - H LEU 42 lone 3 62 - 5 - Peak 6307 from nnoeabs.peaks (7.38, 8.64, 121.36 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 41 + H LEU 42 OK 100 100 - 100 - 3.7=100 H LYS 114 - H LEU 42 OK 14 96 - 14 - 889/3.6=4, 898/4.5=3...(5) H ARG 49 - H LEU 42 lone 5 92 - 5 - 889/3.6=1 Peak 6308 from nnoeabs.peaks (4.46, 8.64, 121.36 ppm; 5.01 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 41 + H LEU 42 OK 100 100 - 100 - 3.6=100 HA SER 44 + H LEU 42 OK 54 85 - 63 - 2.9/6342=30, ~6343=12...(8) HA ASP 137 - H LEU 42 OK 21 100 - 21 - 6323/4.1=5, 905/4.5=5...(5) HA SER 103 - H LEU 42 lone 6 89 - 6 - 6297/3.7=1, 905/4.5=1 HA3 GLY 31 - H LEU 42 lone 3 92 - 3 - Peak 6309 from nnoeabs.peaks (2.77, 8.64, 121.36 ppm; 3.83 A): 4 out of 7 assignments used, quality = 0.90: * HB2 ASP 41 + H LEU 42 OK 80 100 - 80 - 4.5=63, 1.8/6310=25...(5) HB3 TYR 119 + H LEU 42 OK 30 85 - 35 - ~8165=12, ~4735=9...(9) HB3 ASN 84 + H LEU 42 OK 16 89 - 18 - 8148/4.4=4, 6298/3.7=3...(7) HE2 LYS 114 + H LEU 42 OK 13 72 - 18 - 6298/3.7=6, 891/3.6=4...(5) HE3 LYS 76 - H LEU 42 poor 9 85 - 10 - 8148/4.4=3, 9070/5.1=2...(4) HE2 LYS 76 - H LEU 42 lone 6 68 - 9 - 8148/4.4=2, 9070/5.1=2 HG3 GLN 111 - H LEU 42 lone 4 92 - 5 - 891/3.6=1, 6298/3.7=1 Peak 6310 from nnoeabs.peaks (2.80, 8.64, 121.36 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.88: * HB3 ASP 41 + H LEU 42 OK 83 100 - 83 - 4.5=68, 3.8/6300=24...(5) HB3 ASN 139 + H LEU 42 OK 18 98 - 19 - 892/3.6=7, 6299/3.7=6...(4) HB2 ASN 128 + H LEU 42 OK 15 100 - 15 - 9524/3.8=5, 8148/4.4=3...(5) Peak 6311 from nnoeabs.peaks (3.45, 8.64, 121.36 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 - 100 - 2.9=100 HB3 PHE 45 + H LEU 42 OK 46 62 - 73 - ~918=20, 919/2.9=19...(15) HB2 TYR 117 - H LEU 42 OK 25 100 - 25 - 947/4.4=6, 955/5.1=4...(8) Peak 6312 from nnoeabs.peaks (-0.23, 8.64, 121.36 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + H LEU 42 OK 100 100 - 100 - 3.8=100 Peak 6313 from nnoeabs.peaks (0.87, 8.64, 121.36 ppm; 3.94 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 42 OK 100 100 - 100 - 3.8=100 QG2 ILE 83 - H LEU 42 OK 23 72 - 31 - 949/4.4=5, 957/5.1=4...(9) QD1 LEU 64 - H LEU 42 OK 20 89 - 22 - 949/4.4=5, 912/2.9=5...(7) QG2 ILE 56 - H LEU 42 OK 17 100 - 17 - 10135/4.4=3, 11204/3.6=3...(6) QG2 ILE 136 - H LEU 42 OK 11 68 - 16 - 9679/3.6=3, 10462/4.5=2...(4) QG2 ILE 101 - H LEU 42 lone 5 68 - 7 - QD1 LEU 97 - H LEU 42 lone 4 77 - 5 - Peak 6314 from nnoeabs.peaks (0.81, 8.64, 121.36 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.95: * HG LEU 42 + H LEU 42 OK 89 100 - 89 - 5.1=54, 2.1/6316=28...(11) QD1 LEU 95 + H LEU 42 OK 58 100 - 58 - 934/3.8=15, 950/4.4=12...(8) Peak 6315 from nnoeabs.peaks (0.52, 8.64, 121.36 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + H LEU 42 OK 100 100 - 100 - 4.4=100 Peak 6316 from nnoeabs.peaks (0.31, 8.64, 121.36 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.92: * QD2 LEU 42 + H LEU 42 OK 90 100 - 90 - 5.1=59, 2.1/6314=23...(15) QD1 ILE 91 + H LEU 42 OK 22 62 - 35 - 952/4.4=7, 927/3.8=7...(10) Peak 6317 from nnoeabs.peaks (8.76, 8.64, 121.36 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.97: * H PHE 43 + H LEU 42 OK 97 100 - 97 - 4.1=86, 6326/3.8=22...(12) Peak 6319 from nnoeabs.peaks (8.76, 8.76, 116.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 43 + H PHE 43 OK 100 100 - 100 Peak 6320 from nnoeabs.peaks (3.14, 8.76, 116.67 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.77: * HA LEU 39 + H PHE 43 OK 61 100 - 61 - 825/4.5=32, 6304/4.1=24...(8) HB2 TYR 70 + H PHE 43 OK 27 96 - 28 - 6304/4.1=11, ~972=6...(6) HA VAL 80 + H PHE 43 OK 18 94 - 19 - 6304/4.1=6, 11430/4.5=4...(5) HB2 TRP 17 - H PHE 43 poor 9 77 - 12 - 8152/10744=6, 6304/4.1=3 Peak 6322 from nnoeabs.peaks (7.38, 8.76, 116.67 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.69: * H ASP 41 + H PHE 43 OK 69 100 - 69 - 3.7/6317=32, 6301=30...(9) H LYS 114 - H PHE 43 lone 6 96 - 7 - 6307/4.1=4, 7401/3.8=1 H ARG 49 - H PHE 43 lone 2 92 - 2 - 6307/4.1=1 Peak 6323 from nnoeabs.peaks (4.46, 8.76, 116.67 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.99: * HA ASP 41 + H PHE 43 OK 87 100 - 87 - 3.6/6317=50, 2.9/6301=47...(4) HA SER 44 + H PHE 43 OK 80 85 - 94 - 2.9/6344=50, 3.6/6338=50...(9) HA ASP 137 + H PHE 43 OK 80 100 - 81 - 3.0/6332=12, 4646/3.8=12...(19) HA SER 103 - H PHE 43 lone 8 89 - 9 - 6357/6338=2, 6308/4.1=1 HA3 GLY 31 - H PHE 43 lone 4 92 - 5 - Peak 6324 from nnoeabs.peaks (8.64, 8.76, 116.67 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.96: * H LEU 42 + H PHE 43 OK 96 100 - 96 - 4.1=86, 3.8/6326=21...(12) H LEU 69 - H PHE 43 OK 24 98 - 25 - 909/3.6=7, 921/4.5=5...(8) Peak 6325 from nnoeabs.peaks (3.45, 8.76, 116.67 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + H PHE 43 OK 100 100 - 100 - 3.6=100 HB3 PHE 45 - H PHE 43 OK 42 62 - 67 - 3.5/6338=43, 919/3.6=21...(7) HB2 TYR 117 - H PHE 43 OK 20 100 - 20 - 922/4.5=5, 6311/4.1=5...(7) Peak 6326 from nnoeabs.peaks (-0.23, 8.76, 116.67 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LEU 42 + H PHE 43 OK 99 100 - 99 - 4.5=94, 3.8/6317=30...(13) Peak 6327 from nnoeabs.peaks (0.87, 8.76, 116.67 ppm; 4.02 A): 1 out of 7 assignments used, quality = 0.95: * HB3 LEU 42 + H PHE 43 OK 95 100 - 95 - 4.5=72, 1.8/6326=33...(12) QG2 ILE 83 - H PHE 43 OK 19 72 - 26 - 3.1/11213=8, 912/3.6=4...(8) QD1 LEU 64 - H PHE 43 OK 14 89 - 16 - 912/3.6=4, 924/4.5=4...(6) QG2 ILE 56 - H PHE 43 OK 13 100 - 13 - 912/3.6=2, 6313/4.1=2...(5) QG2 ILE 136 - H PHE 43 poor 8 68 - 11 - ~10458=3, 6313/4.1=1 QG2 ILE 101 - H PHE 43 lone 5 68 - 7 - QD1 LEU 97 - H PHE 43 lone 4 77 - 5 - Peak 6328 from nnoeabs.peaks (0.81, 8.76, 116.67 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.92: * HG LEU 42 + H PHE 43 OK 85 100 - 85 - 2.1/6329=35, 3.0/6326=30...(8) QD1 LEU 95 + H PHE 43 OK 46 100 - 46 - 934/4.5=13, 913/3.6=10...(7) Peak 6329 from nnoeabs.peaks (0.52, 8.76, 116.67 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.91: * QD1 LEU 42 + H PHE 43 OK 91 100 - 91 - 914/3.6=35, 3.2/6326=31...(11) Peak 6330 from nnoeabs.peaks (0.31, 8.76, 116.67 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.93: * QD2 LEU 42 + H PHE 43 OK 91 100 - 91 - 2.1/6329=37, 3.1/6326=31...(14) QD1 ILE 91 + H PHE 43 OK 20 62 - 32 - 927/4.5=6, 6316/4.1=5...(10) Peak 6331 from nnoeabs.peaks (4.20, 8.76, 116.67 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HA PHE 43 + H PHE 43 OK 100 100 - 100 - 2.8=100 HA PHE 67 - H PHE 43 OK 22 99 - 22 - ~1934=3, ~1934=3...(10) HA CYS 121 - H PHE 43 OK 19 77 - 24 - ~970=3, 6345/3.3=3...(12) HA ALA 134 - H PHE 43 OK 13 77 - 17 - 4572/3.8=4, 4573/3.8=3...(8) HA ILE 101 - H PHE 43 lone 4 62 - 6 - 6360/6338=2 Peak 6332 from nnoeabs.peaks (2.69, 8.76, 116.67 ppm; 4.07 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PHE 43 + H PHE 43 OK 100 100 - 100 - 3.8=100 HB2 ASP 137 - H PHE 43 OK 43 89 - 49 - 985/3.8=8, 1.8/6333=8...(14) HB3 TYR 115 - H PHE 43 OK 12 99 - 12 - 964/2.8=3, 985/3.8=3...(5) HB3 ASP 13 - H PHE 43 lone 6 100 - 6 - 972/2.8=3, 6346/3.3=1 HB3 ASP 16 - H PHE 43 lone 6 81 - 7 - 964/2.8=1, 985/3.8=1 HB2 ASP 32 - H PHE 43 lone 5 94 - 5 - 964/2.8=1, 985/3.8=1 Peak 6333 from nnoeabs.peaks (2.74, 8.76, 116.67 ppm; 4.05 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + H PHE 43 OK 100 100 - 100 - 3.8=100 HB3 ASP 137 + H PHE 43 OK 48 100 - 48 - 1.8/6332=9, 965/2.8=7...(13) HB3 ASP 40 - H PHE 43 OK 34 92 - 37 - 4.4/6322=17, ~6340=10...(6) HG3 MET 113 - H PHE 43 OK 14 100 - 14 - ~971=3, 965/2.8=3...(6) HE2 LYS 76 - H PHE 43 lone 6 77 - 7 - 965/2.8=1 HB2 ASN 96 - H PHE 43 lone 5 92 - 6 - 10100/4.5=2 HE2 LYS 114 - H PHE 43 lone 5 72 - 7 - 6296/6322=2 HE3 LYS 76 - H PHE 43 lone 4 57 - 7 - HB2 ASN 54 - H PHE 43 lone 4 99 - 4 - Peak 6334 from nnoeabs.peaks (7.35, 8.76, 116.67 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 43 + H PHE 43 OK 100 100 - 100 - 4.3=100 H ARG 109 - H PHE 43 OK 14 94 - 15 - 966/2.8=5, 6348/3.3=4...(4) H GLY 77 - H PHE 43 lone 6 89 - 7 - 10826/2.8=3, 6348/3.3=2 Peak 6337 from nnoeabs.peaks (7.82, 8.76, 116.67 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * H SER 44 + H PHE 43 OK 100 100 - 100 - 3.3=100 H THR 110 - H PHE 43 OK 15 94 - 16 - 7305/4.3=4, 11209/2.8=2...(8) H GLY 94 - H PHE 43 lone 4 99 - 4 - 6361/6338=1 H LEU 26 - H PHE 43 lone 3 81 - 4 - 11212/4.3=1 H TYR 27 - H PHE 43 lone 3 99 - 3 - Peak 6338 from nnoeabs.peaks (8.80, 8.76, 116.67 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.71: * H PHE 45 + H PHE 43 OK 71 100 - 71 - 6359=41, 6354/3.3=21...(11) Peak 6339 from nnoeabs.peaks (7.82, 7.82, 115.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 44 + H SER 44 OK 100 100 - 100 Peak 6340 from nnoeabs.peaks (4.42, 7.82, 115.84 ppm; 4.04 A): 0 out of 5 assignments used, low quality = 0.39: ! HA ASP 40 - H SER 44 OK 39 100 - 39 - 4.9/894=16, 875/4.5=14...(6) HA ILE 58 - H SER 44 lone 3 92 - 3 - 8270/9832=1 HA ASN 84 - H SER 44 lone 2 89 - 2 - HA PRO 57 - H SER 44 lone 1 62 - 2 - 11303/9832=1 HA PRO 33 - H SER 44 lone 1 68 - 2 - Peak 6341 from nnoeabs.peaks (4.46, 7.82, 115.84 ppm; 3.27 A): 2 out of 5 assignments used, quality = 0.94: HA SER 44 + H SER 44 OK 85 85 - 100 - 2.9=100 * HA ASP 41 + H SER 44 OK 60 100 - 61 - 894=23, 3.6/6342=11...(14) HA ASP 137 - H SER 44 OK 26 100 - 26 - 3.0/6346=4, 4646/4.5=4...(9) HA SER 103 - H SER 44 lone 5 89 - 5 - 6357/3.2=1 HA3 GLY 31 - H SER 44 lone 2 92 - 2 - Peak 6342 from nnoeabs.peaks (8.64, 7.82, 115.84 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.84: * H LEU 42 + H SER 44 OK 81 100 - 81 - 6317/3.3=38, 3.6/894=30...(11) H LEU 69 + H SER 44 OK 16 98 - 17 - 6324/3.3=8, 6682/3.6=5...(4) Peak 6343 from nnoeabs.peaks (3.45, 7.82, 115.84 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.96: * HA LEU 42 + H SER 44 OK 92 100 - 92 - 3.6/6344=43, 917/3.2=33...(10) HB3 PHE 45 + H SER 44 OK 47 62 - 76 - 3.5/6354=44, ~6366=27...(6) HB2 TYR 117 - H SER 44 OK 11 100 - 11 - 6325/3.3=4, 6358/3.2=3...(4) Peak 6344 from nnoeabs.peaks (8.76, 7.82, 115.84 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.98: * H PHE 43 + H SER 44 OK 98 100 - 98 - 3.3=95, 6338/3.2=25...(9) Peak 6345 from nnoeabs.peaks (4.20, 7.82, 115.84 ppm; 3.07 A): 1 out of 5 assignments used, quality = 0.83: * HA PHE 43 + H SER 44 OK 83 100 - 83 - 3.6=64, 2.8/6344=24...(9) HA CYS 121 - H SER 44 poor 9 77 - 12 - 6360/3.2=3, 2.9/6355=3...(4) HA PHE 67 - H SER 44 lone 7 99 - 7 - 6331/3.3=2, 6360/3.2=2 HA ALA 134 - H SER 44 lone 5 77 - 7 - 4572/4.5=2, 4573/4.5=2 HA ILE 101 - H SER 44 lone 2 62 - 4 - 6360/3.2=2 Peak 6346 from nnoeabs.peaks (2.69, 7.82, 115.84 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.98: * HB2 PHE 43 + H SER 44 OK 98 100 - 98 - 4.5=95, 3.8/6344=35...(5) HB2 ASP 137 - H SER 44 OK 44 89 - 50 - 985/4.5=8, 6332/3.3=8...(15) HB3 TYR 115 - H SER 44 OK 12 99 - 12 - 964/3.6=3, 985/4.5=3...(4) HB3 ASP 16 - H SER 44 lone 7 81 - 9 - 964/3.6=1, 10270=1...(4) HB3 ASP 13 - H SER 44 lone 7 100 - 6 - 972/3.6=3, 6332/3.3=1 HB2 ASP 32 - H SER 44 lone 6 94 - 6 - 964/3.6=1, 985/4.5=1 Peak 6347 from nnoeabs.peaks (2.74, 7.82, 115.84 ppm; 4.58 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + H SER 44 OK 100 100 - 100 - 4.5=100 HB3 ASP 137 + H SER 44 OK 53 100 - 53 - 1.8/6346=10, 965/3.6=8...(14) HB3 ASP 40 - H SER 44 OK 42 92 - 46 - 3.0/6340=30, 6333/3.3=5...(7) HG3 MET 113 - H SER 44 OK 11 100 - 11 - 965/3.6=3, 977/4.5=2...(4) HE2 LYS 76 - H SER 44 poor 10 77 - 12 - 9814/3.9=2, 9814/3.9=2...(4) HB2 ASN 54 - H SER 44 lone 7 99 - 7 - 876/6340=3 HB2 ASN 96 - H SER 44 lone 6 92 - 6 - 3.9/9097=2 HE3 LYS 76 - H SER 44 poor 6 57 - 10 - 9814/3.9=2, 9814/3.9=2 HE2 LYS 114 - H SER 44 lone 6 72 - 8 - 872/6340=2 Peak 6348 from nnoeabs.peaks (7.35, 7.82, 115.84 ppm; 6.12 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 43 + H SER 44 OK 100 100 - 100 - 5.0=100 H ARG 109 - H SER 44 OK 29 94 - 31 - 966/3.6=6, 6334/3.3=5...(9) H GLY 77 - H SER 44 OK 17 89 - 19 - 10826/3.6=5, ~6366=5...(6) Peak 6351 from nnoeabs.peaks (4.47, 7.82, 115.84 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 44 + H SER 44 OK 100 100 - 100 - 2.9=100 HA ASP 41 + H SER 44 OK 48 85 - 56 - 894=17, 3.6/6342=11...(14) HA ASP 137 - H SER 44 OK 23 94 - 25 - 3.0/6346=4, 4646/4.5=3...(9) HA SER 103 - H SER 44 lone 6 100 - 6 - 6362/3.2=2 HA3 GLY 31 - H SER 44 lone 2 100 - 2 - Peak 6352 from nnoeabs.peaks (4.16, 7.82, 115.84 ppm; 2.85 A): 2 out of 10 assignments used, quality = 0.93: HB3 SER 44 + H SER 44 OK 73 100 - 73 - 3.9=39, 1.8/1000=12...(17) * HB2 SER 44 + H SER 44 OK 73 100 - 73 - 3.9=39, 1.8/1000=12...(17) HA GLU 120 - H SER 44 lone 6 100 - 6 - 3.6/6355=2, 6363/3.2=2 HA LYS 76 - H SER 44 lone 4 92 - 4 - HA PHE 38 - H SER 44 lone 3 89 - 3 - 895/894=1 HA TRP 88 - H SER 44 lone 2 85 - 2 - HA LEU 64 - H SER 44 lone 1 81 - 1 - HA LEU 126 - H SER 44 lone 1 81 - 1 - HA3 GLY 125 - H SER 44 lone 0 96 - 0 - HG1 THR 74 - H SER 44 lone 0 85 - 0 - Peak 6353 from nnoeabs.peaks (4.16, 7.82, 115.84 ppm; 2.85 A): 2 out of 10 assignments used, quality = 0.93: * HB3 SER 44 + H SER 44 OK 73 100 - 73 - 3.9=39, 1.8/1000=12...(17) HB2 SER 44 + H SER 44 OK 73 100 - 73 - 3.9=39, 1.8/1000=12...(17) HA GLU 120 - H SER 44 lone 6 100 - 6 - 3.6/6355=2, 6363/3.2=2 HA LYS 76 - H SER 44 lone 4 92 - 4 - HA PHE 38 - H SER 44 lone 3 89 - 3 - 895/894=1 HA TRP 88 - H SER 44 lone 2 85 - 2 - HA LEU 64 - H SER 44 lone 1 81 - 1 - HA LEU 126 - H SER 44 lone 1 81 - 1 - HA3 GLY 125 - H SER 44 lone 0 96 - 0 - HG1 THR 74 - H SER 44 lone 0 85 - 0 - Peak 6354 from nnoeabs.peaks (8.80, 7.82, 115.84 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.97: * H PHE 45 + H SER 44 OK 97 100 - 97 - 3.2=93, 6338/3.3=23...(11) Peak 6355 from nnoeabs.peaks (8.54, 7.82, 115.84 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.92: * H MET 46 + H SER 44 OK 85 100 - 85 - 3.0/6354=45, 970/3.6=21...(11) H CYS 121 + H SER 44 OK 28 98 - 28 - 970/3.6=8, 6371/3.2=8...(8) H GLN 111 + H SER 44 OK 26 89 - 29 - 7323=6, 970/3.6=5...(10) Peak 6356 from nnoeabs.peaks (8.80, 8.80, 124.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + H PHE 45 OK 100 100 - 100 Peak 6357 from nnoeabs.peaks (4.46, 8.80, 124.73 ppm; 4.21 A): 4 out of 5 assignments used, quality = 0.94: HA SER 44 + H PHE 45 OK 85 85 - 100 - 3.6=100 * HA ASP 41 + H PHE 45 OK 42 100 - 42 - 894/3.2=27, 896/4.6=9...(5) HA ASP 137 + H PHE 45 OK 19 100 - 19 - 6341/3.2=5, ~6346=3...(4) HA SER 103 + H PHE 45 OK 12 89 - 13 - 10151/2.8=3, ~10152=3...(5) HA3 GLY 31 - H PHE 45 lone 2 92 - 2 - Peak 6358 from nnoeabs.peaks (3.45, 8.80, 124.73 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.90: * HA LEU 42 + H PHE 45 OK 75 100 - 75 - 3.6/6338=25, 917=18...(11) HB3 PHE 45 + H PHE 45 OK 60 62 - 97 - 3.5=92, 1.8/6366=31...(9) HB2 TYR 117 - H PHE 45 lone 10 100 - 10 - 6374/3.0=3, 1022/3.5=2...(5) Peak 6359 from nnoeabs.peaks (8.76, 8.80, 124.73 ppm; 3.24 A): 1 out of 1 assignment used, quality = 0.79: * H PHE 43 + H PHE 45 OK 79 100 - 79 - 6338=50, 3.3/6354=24...(11) Peak 6360 from nnoeabs.peaks (4.20, 8.80, 124.73 ppm; 3.40 A): 3 out of 5 assignments used, quality = 0.75: * HA PHE 43 + H PHE 45 OK 66 100 - 66 - 2.8/6338=31, 3.6/6354=24...(7) HA CYS 121 + H PHE 45 OK 18 77 - 23 - 6375/3.0=5, 2.9/6371=5...(10) HA ILE 101 + H PHE 45 OK 11 62 - 17 - ~3320=2, ~7187=2...(8) HA PHE 67 - H PHE 45 lone 8 99 - 8 - 6375/3.0=3, 6345/3.2=2 HA ALA 134 - H PHE 45 lone 4 77 - 6 - 6345/3.2=1 Peak 6361 from nnoeabs.peaks (7.82, 8.80, 124.73 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * H SER 44 + H PHE 45 OK 100 100 - 100 - 3.2=100 H THR 110 - H PHE 45 OK 16 94 - 17 - 7316/3.0=4, 3.4/6371=2...(8) H GLY 94 - H PHE 45 lone 10 99 - 10 - 3.6/6365=2, 7099/2.8=1 H TYR 27 - H PHE 45 lone 4 99 - 4 - 991/3.6=1 H LEU 26 - H PHE 45 lone 2 81 - 3 - Peak 6362 from nnoeabs.peaks (4.47, 8.80, 124.73 ppm; 4.21 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 44 + H PHE 45 OK 100 100 - 100 - 3.6=100 HA ASP 41 - H PHE 45 OK 29 85 - 34 - 894/3.2=21, 896/4.6=7...(5) HA ASP 137 - H PHE 45 OK 18 94 - 19 - 6351/3.2=5, ~6346=3...(6) HA SER 103 - H PHE 45 OK 15 100 - 15 - 10151/2.8=4, ~10152=3...(6) HA3 GLY 31 - H PHE 45 lone 2 100 - 2 - Peak 6363 from nnoeabs.peaks (4.16, 8.80, 124.73 ppm; 3.35 A): 3 out of 10 assignments used, quality = 0.94: * HB2 SER 44 + H PHE 45 OK 74 100 - 74 - 4.6=39, 3.9/6354=21...(10) HB3 SER 44 + H PHE 45 OK 74 100 - 74 - 4.6=39, 3.9/6354=21...(10) HA GLU 120 + H PHE 45 OK 15 100 - 16 - 3.6/6371=4, 4010/3.0=3...(7) HA PHE 38 - H PHE 45 lone 2 89 - 3 - HA LYS 76 - H PHE 45 lone 2 92 - 2 - HA TRP 88 - H PHE 45 lone 2 85 - 2 - HA LEU 126 - H PHE 45 lone 1 81 - 1 - HA3 GLY 125 - H PHE 45 lone 1 96 - 1 - HA LEU 64 - H PHE 45 lone 1 81 - 1 - HG1 THR 74 - H PHE 45 lone 0 85 - 1 - Peak 6364 from nnoeabs.peaks (4.16, 8.80, 124.73 ppm; 3.35 A): 3 out of 10 assignments used, quality = 0.94: HB2 SER 44 + H PHE 45 OK 74 100 - 74 - 4.6=39, 3.9/6354=21...(10) * HB3 SER 44 + H PHE 45 OK 74 100 - 74 - 4.6=39, 3.9/6354=21...(10) HA GLU 120 + H PHE 45 OK 15 100 - 16 - 3.6/6371=4, 4010/3.0=3...(7) HA PHE 38 - H PHE 45 lone 2 89 - 3 - HA LYS 76 - H PHE 45 lone 2 92 - 2 - HA TRP 88 - H PHE 45 lone 2 85 - 2 - HA LEU 126 - H PHE 45 lone 1 81 - 1 - HA3 GLY 125 - H PHE 45 lone 1 96 - 1 - HA LEU 64 - H PHE 45 lone 1 81 - 1 - HG1 THR 74 - H PHE 45 lone 0 85 - 1 - Peak 6365 from nnoeabs.peaks (4.22, 8.80, 124.73 ppm; 3.49 A): 1 out of 7 assignments used, quality = 1.00: * HA PHE 45 + H PHE 45 OK 100 100 - 100 - 2.8=100 HA ILE 101 - H PHE 45 OK 37 98 - 38 - 1011=12, 1014/3.5=6...(12) HA THR 102 - H PHE 45 OK 17 100 - 17 - 1024/3.5=2, 1033/3.5=2...(6) HA LYS 93 - H PHE 45 OK 15 100 - 15 - 3020/3.2=3, 3.6/6361=2...(5) HA LYS 85 - H PHE 45 poor 10 96 - 10 - 6379/3.0=1, 1024/3.5=1 HB THR 102 - H PHE 45 lone 6 62 - 9 - ~3379=1 HA ALA 134 - H PHE 45 lone 5 92 - 5 - Peak 6366 from nnoeabs.peaks (3.51, 8.80, 124.73 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.95: * HB2 PHE 45 + H PHE 45 OK 95 100 - 95 - 3.5=88, 1.8/6367=23...(9) HA2 GLY 77 - H PHE 45 OK 16 100 - 16 - 1034/3.5=5, 1013/2.8=4...(4) Peak 6367 from nnoeabs.peaks (3.46, 8.80, 124.73 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.97: * HB3 PHE 45 + H PHE 45 OK 97 100 - 97 - 3.5=92, 1.8/6366=31...(8) HA LEU 42 - H PHE 45 OK 43 68 - 63 - 3.6/6338=25, 1022/3.5=10...(11) HB2 TYR 117 - H PHE 45 lone 8 81 - 9 - 6381/3.0=2, 1026/3.5=2...(5) Peak 6368 from nnoeabs.peaks (7.23, 8.80, 124.73 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.93: * QD PHE 45 + H PHE 45 OK 91 92 - 99 - 4.2=97, 2.4/6366=35...(11) H GLU 37 + H PHE 45 OK 17 68 - 25 - 1027/3.5=6, 1015/2.8=5...(7) HE3 TRP 17 - H PHE 45 poor 10 77 - 13 - 1036/3.5=3, 1027/3.5=3...(4) HZ PHE 106 - H PHE 45 lone 4 68 - 6 - 1036/3.5=1 Peak 6371 from nnoeabs.peaks (8.54, 8.80, 124.73 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H MET 46 + H PHE 45 OK 100 100 - 100 - 3.0=100 H CYS 121 - H PHE 45 OK 28 98 - 29 - 2.9/6360=5, 6355/3.2=4...(13) H GLN 111 - H PHE 45 OK 15 89 - 17 - 6355/3.2=4, 3.4/6361=3...(8) Peak 6373 from nnoeabs.peaks (8.54, 8.54, 117.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 46 + H MET 46 OK 100 100 - 100 Peak 6374 from nnoeabs.peaks (3.45, 8.54, 117.25 ppm; 3.96 A): 3 out of 3 assignments used, quality = 0.88: * HA LEU 42 + H MET 46 OK 65 100 - 65 - 917/3.0=22, 919/4.4=19...(8) HB3 PHE 45 + H MET 46 OK 57 62 - 91 - 4.4=71, 1.8/6380=30...(9) HB2 TYR 117 + H MET 46 OK 19 100 - 19 - 1.8/9795=3, 3911/5.1=2...(12) Peak 6375 from nnoeabs.peaks (4.20, 8.54, 117.25 ppm; 4.06 A): 3 out of 5 assignments used, quality = 0.93: * HA PHE 43 + H MET 46 OK 84 100 - 84 - 970=30, 6360/3.0=22...(15) HA CYS 121 + H MET 46 OK 42 77 - 55 - 4042=10, 3.0/4052=8...(17) HA PHE 67 + H MET 46 OK 21 99 - 21 - 6394/3.0=4, 1932/4.0=4...(6) HA ILE 101 - H MET 46 poor 7 62 - 12 - 6360/3.0=4, 1024/4.4=2...(6) HA ALA 134 - H MET 46 lone 5 77 - 7 - 6360/3.0=1, 6394/3.0=1 Peak 6377 from nnoeabs.peaks (4.47, 8.54, 117.25 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.96: * HA SER 44 + H MET 46 OK 94 100 - 94 - ~6354=43, 2.9/6355=30...(13) HA SER 103 + H MET 46 OK 31 100 - 31 - 6395/3.0=9, 10151/3.6=6...(6) HA ASP 41 - H MET 46 OK 22 85 - 26 - 894/6355=9, 6357/3.0=9...(5) HA ASP 137 - H MET 46 OK 20 94 - 21 - 6395/3.0=7, 6362/3.0=5...(5) HA3 GLY 31 - H MET 46 lone 7 100 - 7 - 6395/3.0=2 Peak 6378 from nnoeabs.peaks (8.80, 8.54, 117.25 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + H MET 46 OK 100 100 - 100 - 3.0=100 Peak 6379 from nnoeabs.peaks (4.22, 8.54, 117.25 ppm; 4.04 A): 1 out of 7 assignments used, quality = 1.00: * HA PHE 45 + H MET 46 OK 100 100 - 100 - 3.6=100 HA ILE 101 - H MET 46 OK 36 98 - 37 - 1018=9, 1011/3.0=9...(8) HA THR 102 - H MET 46 OK 15 100 - 15 - 6365/3.0=3, 1024/4.4=2...(6) HA LYS 93 - H MET 46 OK 13 100 - 13 - 6365/3.0=3, 6431/6432=2...(6) HA LYS 85 - H MET 46 OK 12 96 - 12 - 6365/3.0=2, 6431/6432=2...(6) HA ALA 134 - H MET 46 lone 8 92 - 8 - 6397/3.0=2 HB THR 102 - H MET 46 lone 6 62 - 9 - ~6365=1, ~10185=1, 6365/3.0=1 Peak 6380 from nnoeabs.peaks (3.51, 8.54, 117.25 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.95: * HB2 PHE 45 + H MET 46 OK 95 100 - 95 - 4.4=78, 6366/3.0=30...(9) HA2 GLY 77 - H MET 46 OK 19 100 - 19 - 1034/4.4=5, 6366/3.0=5...(4) Peak 6381 from nnoeabs.peaks (3.46, 8.54, 117.25 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.95: * HB3 PHE 45 + H MET 46 OK 92 100 - 92 - 4.4=71, 1.8/6380=30...(7) HA LEU 42 + H MET 46 OK 34 68 - 50 - 917/3.0=12, 1022/4.4=11...(8) HB2 TYR 117 - H MET 46 OK 15 81 - 18 - 1.8/9795=3, 5582/4.8=2...(11) Peak 6382 from nnoeabs.peaks (7.23, 8.54, 117.25 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.86: * QD PHE 45 + H MET 46 OK 83 92 - 90 - 4.8=61, 2.4/6380=28...(11) H GLU 37 + H MET 46 OK 16 68 - 24 - 1027/4.4=5, 1015/3.6=4...(9) HE3 TRP 17 - H MET 46 lone 8 77 - 10 - 6368/3.0=2, 1036/4.4=2...(4) HZ PHE 106 - H MET 46 lone 3 68 - 4 - 6368/3.0=1 Peak 6385 from nnoeabs.peaks (3.90, 8.54, 117.25 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 46 + H MET 46 OK 100 100 - 100 - 2.9=100 HD3 PRO 98 + H MET 46 OK 52 100 - 52 - 6399/3.0=9, 1059/4.0=5...(20) HA TYR 112 - H MET 46 OK 13 81 - 16 - 2.9/7357=3, 6399/3.0=2...(8) Peak 6386 from nnoeabs.peaks (2.19, 8.54, 117.25 ppm; 4.11 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + H MET 46 OK 100 100 - 100 - 4.0=100 HB2 MET 113 - H MET 46 OK 23 100 - 23 - 1042/2.9=6, 1060/4.0=4...(8) HB3 PRO 57 - H MET 46 OK 22 81 - 27 - 1042/2.9=6, 10587=5...(8) HG2 GLU 75 - H MET 46 OK 21 100 - 21 - 1042/2.9=4, 1060/4.0=4...(7) HB3 LYS 86 - H MET 46 poor 8 68 - 11 - 1042/2.9=3, ~11506=2...(4) Peak 6387 from nnoeabs.peaks (2.72, 8.54, 117.25 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + H MET 46 OK 100 100 - 100 - 4.0=100 HB3 CYS 121 - H MET 46 OK 39 81 - 48 - 1.8/4047=10, 4052=10...(14) HB3 GLU 120 - H MET 46 OK 32 98 - 33 - 3.0/4010=5, 1043/2.9=5...(11) HB3 TYR 70 - H MET 46 OK 13 92 - 14 - 1043/2.9=3, 1052/4.0=2...(6) HB2 ASN 84 - H MET 46 OK 10 98 - 10 - 1043/2.9=2, 1052/4.0=2...(5) HB2 PHE 38 - H MET 46 poor 10 92 - 11 - 1043/2.9=2, 1052/4.0=2...(5) Peak 6388 from nnoeabs.peaks (2.39, 8.54, 117.25 ppm; 3.60 A): 5 out of 8 assignments used, quality = 0.93: * HG2 MET 46 + H MET 46 OK 81 100 - 81 - 5.1=36, 3.3/1082=20...(21) HB ILE 91 + H MET 46 OK 36 100 - 36 - 3.0/10713=6, 6402/3.0=6...(12) HG3 MET 59 + H MET 46 OK 19 100 - 19 - 6402/3.0=3, 1044/2.9=3...(8) HG2 MET 59 + H MET 46 OK 18 98 - 19 - 1044/2.9=3, 6402/3.0=3...(8) HG2 GLN 25 + H MET 46 OK 18 100 - 18 - 6402/3.0=2, 1053/4.0=2...(9) HG3 GLU 37 - H MET 46 lone 9 98 - 9 - 4.4/6382=2, 1044/2.9=1 HG3 GLN 25 - H MET 46 poor 9 72 - 12 - 1062/4.0=1, 1044/2.9=1...(7) HG3 MET 11 - H MET 46 lone 5 72 - 7 - 1044/2.9=1, 1053/4.0=1 Peak 6390 from nnoeabs.peaks (2.42, 8.54, 117.25 ppm; 3.78 A): 3 out of 7 assignments used, quality = 0.97: * QE MET 46 + H MET 46 OK 79 100 - 79 - 1082=31, 1083/2.9=20...(17) HG3 GLN 47 + H MET 46 OK 62 92 - 67 - 4.9/6432=18, 6404/3.0=9...(18) HG2 GLN 47 + H MET 46 OK 62 92 - 67 - 4.9/6432=18, 6404/3.0=9...(18) HG3 GLN 133 - H MET 46 OK 32 100 - 32 - 6404/3.0=4, ~1128=3...(16) HG2 GLN 133 - H MET 46 OK 31 99 - 32 - 6404/3.0=4, ~1128=2...(16) HB3 PRO 118 - H MET 46 OK 24 100 - 24 - 1046/2.9=3, 1055/4.0=3...(8) HG2 MET 68 - H MET 46 lone 3 72 - 4 - Peak 6391 from nnoeabs.peaks (7.99, 8.54, 117.25 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + H MET 46 OK 100 100 - 100 - 3.0=100 H VAL 73 - H MET 46 OK 13 96 - 14 - 3.0/9795=4, 1047/2.9=2...(4) H ARG 140 - H MET 46 lone 9 100 - 9 - ~4703=1, 1047/2.9=1...(4) H ALA 104 - H MET 46 lone 7 92 - 7 - 6434/6432=1, 3.6/6377=1 Peak 6392 from nnoeabs.peaks (8.51, 8.54, 117.25 ppm; 2.96 A): 1 out of 2 assignments used, quality = 0.63: * H LYS 48 + H MET 46 OK 63 100 - 63 - 6432=44, 6412/3.0=18...(6) H LEU 108 - H MET 46 lone 9 100 - 9 - 6412/3.0=4, 2.8/3472=2...(4) Peak 6393 from nnoeabs.peaks (7.99, 7.99, 119.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + H GLN 47 OK 100 100 - 100 Peak 6394 from nnoeabs.peaks (4.20, 7.99, 119.79 ppm; 4.55 A): 3 out of 5 assignments used, quality = 0.79: * HA PHE 43 + H GLN 47 OK 62 100 - 62 - 970/3.0=22, 4.8/6395=15...(9) HA CYS 121 + H GLN 47 OK 31 77 - 40 - 6375/3.0=9, 2.9/6398=8...(10) HA PHE 67 + H GLN 47 OK 21 99 - 21 - 6375/3.0=5, 1932/4.6=5...(6) HA ILE 101 - H GLN 47 poor 8 62 - 14 - ~10675=4, ~10473=4...(4) HA ALA 134 - H GLN 47 lone 6 77 - 7 - 9648/4.9=1, 9648/4.9=1 Peak 6395 from nnoeabs.peaks (4.47, 7.99, 119.79 ppm; 3.97 A): 3 out of 5 assignments used, quality = 0.85: * HA SER 44 + H GLN 47 OK 77 100 - 77 - 997/4.0=22, 998/4.0=21...(12) HA SER 103 + H GLN 47 OK 24 100 - 24 - 3387=6, 6430/4.6=4...(8) HA ASP 137 + H GLN 47 OK 17 94 - 18 - 1099/4.0=2, 1109/4.0=2...(6) HA ASP 41 - H GLN 47 lone 8 85 - 9 - 6430/4.6=1, 6357/6396=1...(5) HA3 GLY 31 - H GLN 47 lone 5 100 - 5 - Peak 6396 from nnoeabs.peaks (8.80, 7.99, 119.79 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.55: * H PHE 45 + H GLN 47 OK 55 100 - 55 - 3.6/6395=25, 2.8/6397=21...(4) Peak 6397 from nnoeabs.peaks (4.22, 7.99, 119.79 ppm; 4.56 A): 4 out of 7 assignments used, quality = 0.83: * HA PHE 45 + H GLN 47 OK 70 100 - 71 - 2.8/6396=25, 1019/4.6=18...(8) HA ILE 101 + H GLN 47 OK 26 98 - 26 - 1018/3.0=8, 1019/4.6=5...(5) HA LYS 93 + H GLN 47 OK 12 100 - 12 - 6431/4.6=5, 6379/3.0=2 HA THR 102 + H GLN 47 OK 11 100 - 11 - 6379/3.0=3, 10185=2...(4) HA LYS 85 - H GLN 47 lone 9 96 - 9 - 6431/4.6=3, 6379/3.0=2 HA ALA 134 - H GLN 47 lone 9 92 - 10 - 9648/4.9=2, 9648/4.9=2...(4) HB THR 102 - H GLN 47 lone 4 62 - 6 - 3.0/10185=2, ~6379=1, 6379/3.0=1 Peak 6398 from nnoeabs.peaks (8.54, 7.99, 119.79 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * H MET 46 + H GLN 47 OK 100 100 - 100 - 3.0=100 H CYS 121 - H GLN 47 OK 25 98 - 26 - 1040/3.6=5, 2.9/6394=4...(10) H GLN 111 - H GLN 47 lone 8 89 - 9 - 1040/3.6=2, 6432/4.6=1, ~3604=1 Peak 6399 from nnoeabs.peaks (3.90, 7.99, 119.79 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 46 + H GLN 47 OK 100 100 - 100 - 3.6=100 HD3 PRO 98 + H GLN 47 OK 69 100 - 70 - 3.0/6407=12, 6385/3.0=12...(17) HA TYR 112 - H GLN 47 OK 14 81 - 18 - 6385/3.0=3, ~7357=2...(7) Peak 6400 from nnoeabs.peaks (2.19, 7.99, 119.79 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.91: * HB2 MET 46 + H GLN 47 OK 91 100 - 91 - 4.6=75, 3.0/6402=20...(12) HB2 MET 113 - H GLN 47 OK 20 100 - 20 - 1042/3.6=5, 6386/3.0=4...(8) HG2 GLU 75 - H GLN 47 OK 16 100 - 16 - 6386/3.0=4, 1042/3.6=4...(5) HB3 PRO 57 - H GLN 47 OK 16 81 - 20 - 10587/3.0=6, 1042/3.6=5...(4) HB3 LYS 86 - H GLN 47 lone 5 68 - 7 - 1042/3.6=2, 6386/3.0=1 Peak 6401 from nnoeabs.peaks (2.72, 7.99, 119.79 ppm; 4.41 A): 1 out of 6 assignments used, quality = 0.96: * HB3 MET 46 + H GLN 47 OK 96 100 - 96 - 4.6=86, 1.8/6400=25...(14) HB3 CYS 121 - H GLN 47 OK 32 81 - 39 - 3.0/6394=7, 4052/3.0=7...(9) HB3 GLU 120 - H GLN 47 OK 27 98 - 28 - 4.6/6398=5, 6387/3.0=5...(7) HB3 TYR 70 - H GLN 47 OK 13 92 - 14 - 1043/3.6=3, 3.0/2059=2...(5) HB2 PHE 38 - H GLN 47 lone 8 92 - 9 - 1043/3.6=2, 1052/4.6=2 HB2 ASN 84 - H GLN 47 lone 8 98 - 8 - 1043/3.6=2, 1052/4.6=2 Peak 6402 from nnoeabs.peaks (2.39, 7.99, 119.79 ppm; 2.94 A): 2 out of 8 assignments used, quality = 0.54: * HG2 MET 46 + H GLN 47 OK 45 100 - 45 - 3.0/6400=9, 6388/3.0=7...(13) HB ILE 91 + H GLN 47 OK 17 100 - 17 - 6388/3.0=3, 3.0/8184=2...(7) HG3 MET 59 - H GLN 47 lone 8 100 - 8 - 6388/3.0=2, 1044/3.6=2...(4) HG2 MET 59 - H GLN 47 lone 8 98 - 8 - 6388/3.0=2, 1044/3.6=2...(4) HG2 GLN 25 - H GLN 47 lone 7 100 - 7 - 6388/3.0=2, 1044/3.6=1...(4) HG3 GLN 25 - H GLN 47 lone 4 72 - 5 - HG3 GLU 37 - H GLN 47 lone 3 98 - 3 - HG3 MET 11 - H GLN 47 lone 3 72 - 4 - Peak 6403 from nnoeabs.peaks (3.22, 7.99, 119.79 ppm; 5.03 A): 3 out of 7 assignments used, quality = 0.96: * HG3 MET 46 + H GLN 47 OK 88 100 - 88 - 3.0/6400=25, 1.8/6402=24...(22) HD3 ARG 140 + H GLN 47 OK 44 100 - 44 - 2.9/4732=9, 2.9/4741=8...(11) HD2 ARG 140 + H GLN 47 OK 42 94 - 44 - 2.9/4732=9, 2.9/4741=8...(10) HB3 TYR 117 - H GLN 47 OK 15 100 - 15 - ~6374=4, ~6381=3...(5) HD3 ARG 124 - H GLN 47 OK 11 100 - 11 - 10523/10679=5, 1045/3.6=2 HD3 ARG 141 - H GLN 47 poor 9 85 - 11 - 6.0/7832=2...(5) HD2 ARG 141 - H GLN 47 lone 7 68 - 10 - 6.0/7832=2...(4) Peak 6404 from nnoeabs.peaks (2.42, 7.99, 119.79 ppm; 2.98 A): 3 out of 7 assignments used, quality = 0.95: HG3 GLN 47 + H GLN 47 OK 66 92 - 72 - 4.9=23, 3.0/6407=16...(20) HG2 GLN 47 + H GLN 47 OK 66 92 - 72 - 4.9=23, 3.0/6407=16...(20) * QE MET 46 + H GLN 47 OK 52 100 - 52 - 1082/3.0=13, 3.3/6402=10...(11) HG3 GLN 133 - H GLN 47 OK 32 100 - 32 - 1128=3, 1.8/1119=3...(18) HG2 GLN 133 - H GLN 47 OK 31 99 - 32 - 1119=4, 1120/2.9=3...(17) HB3 PRO 118 - H GLN 47 OK 12 100 - 12 - 1046/3.6=2, 1055/4.6=2...(4) HG2 MET 68 - H GLN 47 lone 3 72 - 3 - Peak 6405 from nnoeabs.peaks (3.80, 7.99, 119.79 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + H GLN 47 OK 100 100 - 100 - 2.9=100 HA TYR 27 - H GLN 47 OK 15 92 - 17 - 1111/4.0=3, 1101/4.0=3...(7) Peak 6406 from nnoeabs.peaks (2.36, 7.99, 119.79 ppm; 2.95 A): 3 out of 3 assignments used, quality = 0.80: * HB2 GLN 47 + H GLN 47 OK 69 100 - 69 - 4.0=42, 1.8/1110=15...(16) HB2 PRO 98 + H GLN 47 OK 27 81 - 33 - 1092/2.9=6, 3.0/6399=5...(11) HE2 LYS 123 + H GLN 47 OK 10 96 - 10 - 1092/2.9=3, 1112/4.0=2 Peak 6407 from nnoeabs.peaks (2.33, 7.99, 119.79 ppm; 2.98 A): 2 out of 3 assignments used, quality = 0.78: * HB3 GLN 47 + H GLN 47 OK 70 100 - 70 - 4.0=42, 1.8/1100=16...(16) HB2 PRO 98 + H GLN 47 OK 27 81 - 33 - 1093/2.9=7, 1103/4.0=5...(11) HG2 GLU 142 - H GLN 47 lone 3 77 - 3 - Peak 6408 from nnoeabs.peaks (2.42, 7.99, 119.79 ppm; 2.98 A): 3 out of 9 assignments used, quality = 0.96: * HG2 GLN 47 + H GLN 47 OK 72 100 - 72 - 4.9=23, 3.0/6407=16...(21) HG3 GLN 47 + H GLN 47 OK 72 100 - 72 - 4.9=23, 3.0/6407=16...(21) QE MET 46 + H GLN 47 OK 46 92 - 50 - 1082/3.0=11, 3.3/6402=10...(11) HG2 GLN 133 - H GLN 47 OK 32 99 - 33 - 1128=4, 1120/2.9=4...(17) HG3 GLN 133 - H GLN 47 OK 32 98 - 33 - 1128=4, 1120/2.9=4...(17) HB3 PRO 118 - H GLN 47 OK 10 94 - 11 - 1046/3.6=2, 1055/4.6=1...(4) HB3 PRO 33 - H GLN 47 lone 7 89 - 8 - ~8174=1, ~8174=1 HG2 MET 68 - H GLN 47 lone 4 98 - 4 - HG2 MET 11 - H GLN 47 lone 2 62 - 2 - Peak 6409 from nnoeabs.peaks (2.42, 7.99, 119.79 ppm; 2.98 A): 3 out of 9 assignments used, quality = 0.96: HG2 GLN 47 + H GLN 47 OK 72 100 - 72 - 4.9=23, 3.0/6407=16...(21) * HG3 GLN 47 + H GLN 47 OK 72 100 - 72 - 4.9=23, 3.0/6407=16...(21) QE MET 46 + H GLN 47 OK 46 92 - 50 - 1082/3.0=11, 3.3/6402=10...(11) HG2 GLN 133 - H GLN 47 OK 32 99 - 33 - 1128=4, 1120/2.9=4...(17) HG3 GLN 133 - H GLN 47 OK 32 98 - 33 - 1128=4, 1120/2.9=4...(17) HB3 PRO 118 - H GLN 47 OK 10 94 - 11 - 1046/3.6=2, 1055/4.6=1...(4) HB3 PRO 33 - H GLN 47 lone 7 89 - 8 - ~8174=1, ~8174=1 HG2 MET 68 - H GLN 47 lone 4 98 - 4 - HG2 MET 11 - H GLN 47 lone 2 62 - 2 - Peak 6412 from nnoeabs.peaks (8.51, 7.99, 119.79 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.71: * H LYS 48 + H GLN 47 OK 66 100 - 66 - 4.6=30, 6432/3.0=24...(9) H LEU 108 + H GLN 47 OK 15 100 - 14 - 1098/2.9=3, 6392/3.0=3...(5) Peak 6413 from nnoeabs.peaks (7.49, 7.49, 112.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HE21 GLN 47 OK 100 100 - 100 Peak 6415 from nnoeabs.peaks (3.80, 7.49, 112.07 ppm; 6.29 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HE21 GLN 47 OK 100 100 - 100 - 5.1=100 HA TYR 27 - HE21 GLN 47 OK 21 92 - 23 - 1111/4.6=8, 1101/4.6=8...(5) Peak 6416 from nnoeabs.peaks (2.36, 7.49, 112.07 ppm; 4.31 A): 3 out of 3 assignments used, quality = 0.93: * HB2 GLN 47 + HE21 GLN 47 OK 88 100 - 88 - 4.6=82, 3.0/6418=15...(4) HB2 PRO 98 + HE21 GLN 47 OK 31 81 - 38 - 1.8/8182=11, 1112/4.6=8...(8) HE2 LYS 123 + HE21 GLN 47 OK 17 96 - 17 - 6424/1.7=4, 1112/4.6=4...(7) Peak 6417 from nnoeabs.peaks (2.33, 7.49, 112.07 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 47 + HE21 GLN 47 OK 100 100 - 100 - 4.6=100 HB2 PRO 98 - HE21 GLN 47 OK 32 81 - 39 - 1.8/8182=13, 1103/4.6=10...(7) HG2 GLU 142 - HE21 GLN 47 lone 5 77 - 6 - ~8180=2, 1103/4.6=1, 1093/5.1=1 Peak 6418 from nnoeabs.peaks (2.42, 7.49, 112.07 ppm; 3.30 A): 2 out of 9 assignments used, quality = 0.98: * HG2 GLN 47 + HE21 GLN 47 OK 87 100 - 87 - 3.5=82, 3.0/6416=12...(5) HG3 GLN 47 + HE21 GLN 47 OK 87 100 - 87 - 3.5=82, 3.0/6416=12...(5) HG2 GLN 133 - HE21 GLN 47 OK 20 99 - 20 - 6427/1.7=3, 1125=3...(11) HG3 GLN 133 - HE21 GLN 47 OK 20 98 - 20 - 6427/1.7=3, 1125=3...(11) HG2 MET 68 - HE21 GLN 47 lone 4 98 - 4 - 4.4/6678=1 QE MET 46 - HE21 GLN 47 lone 3 92 - 3 - HB3 PRO 33 - HE21 GLN 47 lone 3 89 - 3 - HB3 PRO 118 - HE21 GLN 47 lone 3 94 - 3 - HG2 MET 11 - HE21 GLN 47 lone 2 62 - 3 - ~8180=1 Peak 6419 from nnoeabs.peaks (2.42, 7.49, 112.07 ppm; 3.30 A): 2 out of 9 assignments used, quality = 0.98: HG2 GLN 47 + HE21 GLN 47 OK 87 100 - 87 - 3.5=82, 3.0/6416=12...(5) * HG3 GLN 47 + HE21 GLN 47 OK 87 100 - 87 - 3.5=82, 3.0/6416=12...(5) HG2 GLN 133 - HE21 GLN 47 OK 20 99 - 20 - 6427/1.7=3, 1125=3...(11) HG3 GLN 133 - HE21 GLN 47 OK 20 98 - 20 - 6427/1.7=3, 1125=3...(11) HG2 MET 68 - HE21 GLN 47 lone 4 98 - 4 - 4.4/6678=1 QE MET 46 - HE21 GLN 47 lone 3 92 - 3 - HB3 PRO 33 - HE21 GLN 47 lone 3 89 - 3 - HB3 PRO 118 - HE21 GLN 47 lone 3 94 - 3 - HG2 MET 11 - HE21 GLN 47 lone 2 62 - 3 - ~8180=1 Peak 6421 from nnoeabs.peaks (6.88, 6.88, 112.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HE22 GLN 47 + HE22 GLN 47 OK 97 97 - 100 Peak 6424 from nnoeabs.peaks (2.36, 6.88, 112.07 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.98: * HB2 GLN 47 + HE22 GLN 47 OK 98 98 - 100 - 4.6=100 HB2 PRO 98 - HE22 GLN 47 OK 35 77 - 45 - ~8182=13, 6416/1.7=10...(8) HE2 LYS 123 - HE22 GLN 47 OK 20 93 - 21 - 6416/1.7=6, 1112/4.6=5...(7) Peak 6426 from nnoeabs.peaks (2.42, 6.88, 112.07 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HE22 GLN 47 OK 98 98 - 100 - 3.5=100 HG3 GLN 47 + HE22 GLN 47 OK 98 98 - 100 - 3.5=100 HG2 GLN 133 - HE22 GLN 47 OK 26 96 - 27 - 1135=4, 6418/1.7=4...(11) HG3 GLN 133 - HE22 GLN 47 OK 25 95 - 27 - 1135=4, 6418/1.7=4...(11) QE MET 46 - HE22 GLN 47 lone 4 88 - 5 - 6404/6.8=1 HB3 PRO 33 - HE22 GLN 47 lone 4 85 - 5 - 1114/4.6=1, 1105/4.6=1 HB3 PRO 118 - HE22 GLN 47 lone 4 90 - 4 - 1.8/8181=1 HG2 MET 68 - HE22 GLN 47 lone 3 95 - 3 - HG2 MET 11 - HE22 GLN 47 lone 3 59 - 4 - 3.3/8180=2 Peak 6427 from nnoeabs.peaks (2.42, 6.88, 112.07 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HE22 GLN 47 OK 98 98 - 100 - 3.5=100 * HG3 GLN 47 + HE22 GLN 47 OK 98 98 - 100 - 3.5=100 HG2 GLN 133 - HE22 GLN 47 OK 26 96 - 27 - 1135=4, 6418/1.7=4...(11) HG3 GLN 133 - HE22 GLN 47 OK 25 95 - 27 - 1135=4, 6418/1.7=4...(11) QE MET 46 - HE22 GLN 47 lone 4 88 - 5 - 6404/6.8=1 HB3 PRO 33 - HE22 GLN 47 lone 4 85 - 5 - 1114/4.6=1, 1105/4.6=1 HB3 PRO 118 - HE22 GLN 47 lone 4 90 - 4 - 1.8/8181=1 HG2 MET 68 - HE22 GLN 47 lone 3 95 - 3 - HG2 MET 11 - HE22 GLN 47 lone 3 59 - 4 - 3.3/8180=2 Peak 6428 from nnoeabs.peaks (7.49, 6.88, 112.07 ppm; 2.50 A): 1 out of 6 assignments used, quality = 0.98: * HE21 GLN 47 + HE22 GLN 47 OK 98 98 - 100 - 1.7=100 HE22 GLN 62 - HE22 GLN 47 OK 13 73 - 18 - ~11651=15, ~6599=3, 4.6/8181=1 H TYR 70 - HE22 GLN 47 lone 1 96 - 1 - HE ARG 49 - HE22 GLN 47 lone 0 88 - 1 - HE22 GLN 25 - HE22 GLN 47 lone 0 63 - 1 - HD1 TRP 88 - HE22 GLN 47 lone 0 97 - 0 - Peak 6429 from nnoeabs.peaks (8.51, 8.51, 121.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 48 + H LYS 48 OK 100 100 - 100 Peak 6430 from nnoeabs.peaks (4.47, 8.51, 121.41 ppm; 4.65 A): 4 out of 5 assignments used, quality = 0.85: * HA SER 44 + H LYS 48 OK 71 100 - 71 - 997/4.7=25, 998/4.7=24...(7) HA SER 103 + H LYS 48 OK 33 100 - 33 - 6395/4.6=5, 3.6/6434=4...(12) HA ASP 137 + H LYS 48 OK 14 94 - 14 - 6395/4.6=4, 1099/4.7=3 HA ASP 41 + H LYS 48 OK 11 85 - 12 - 2.9/6451=2, 6395/4.6=2...(6) HA3 GLY 31 - H LYS 48 lone 6 100 - 6 - 6395/4.6=1, 1099/4.7=1 Peak 6431 from nnoeabs.peaks (4.22, 8.51, 121.41 ppm; 4.50 A): 6 out of 7 assignments used, quality = 0.94: * HA PHE 45 + H LYS 48 OK 78 100 - 78 - 3.6/6432=37, 1019=33...(11) HA LYS 93 + H LYS 48 OK 38 100 - 38 - 10469/4.9=6, 8186/4.9=5...(15) HA LYS 85 + H LYS 48 OK 29 96 - 30 - 1148/3.8=5, 1160/3.8=5...(14) HA ILE 101 + H LYS 48 OK 27 98 - 27 - 1019=9, 6397/4.6=4...(7) HA ALA 134 + H LYS 48 OK 11 92 - 12 - 9648/4.9=2, 9648/4.9=2...(7) HA THR 102 + H LYS 48 OK 11 100 - 11 - 10185/4.6=2, 6379/6432=1 HB THR 102 - H LYS 48 lone 4 62 - 6 - Peak 6432 from nnoeabs.peaks (8.54, 8.51, 121.41 ppm; 2.68 A): 1 out of 3 assignments used, quality = 0.52: * H MET 46 + H LYS 48 OK 52 100 - 52 - 6392=32, 3.0/6412=15...(6) H GLN 111 - H LYS 48 lone 5 89 - 5 - 3.4/7303=3 H CYS 121 - H LYS 48 lone 3 98 - 3 - 6398/4.6=2 Peak 6433 from nnoeabs.peaks (3.90, 8.51, 121.41 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.87: * HA MET 46 + H LYS 48 OK 79 100 - 80 - 2.9/6432=43, 3.6/6412=36...(9) HD3 PRO 98 + H LYS 48 OK 38 100 - 38 - 6399/4.6=10, 3.0/6437=9...(8) HA TYR 112 - H LYS 48 poor 9 81 - 11 - 7395/4.6=3, 6399/4.6=2...(4) Peak 6434 from nnoeabs.peaks (7.99, 8.51, 121.41 ppm; 3.48 A): 3 out of 4 assignments used, quality = 0.83: * H GLN 47 + H LYS 48 OK 78 100 - 78 - 4.6=43, 3.0/6432=29...(9) H ALA 104 + H LYS 48 OK 13 92 - 14 - 3.6/6430=4, 1090/3.6=2...(5) H ARG 140 + H LYS 48 OK 11 100 - 12 - 1090/3.6=3, 1100/4.7=2 H VAL 73 - H LYS 48 lone 8 96 - 8 - 1090/3.6=2, 6391/6432=1...(4) Peak 6435 from nnoeabs.peaks (3.80, 8.51, 121.41 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + H LYS 48 OK 100 100 - 100 - 3.6=100 HA TYR 27 - H LYS 48 OK 19 92 - 20 - 1111/4.7=5, 1101/4.7=5...(6) Peak 6436 from nnoeabs.peaks (2.36, 8.51, 121.41 ppm; 3.38 A): 3 out of 3 assignments used, quality = 0.78: * HB2 GLN 47 + H LYS 48 OK 69 100 - 69 - 4.7=38, 1.8/1118=20...(9) HB2 PRO 98 + H LYS 48 OK 18 81 - 22 - 1092/3.6=6, 1112/4.7=5...(7) HE2 LYS 123 + H LYS 48 OK 12 96 - 12 - 1092/3.6=3, 1112/4.7=2...(4) Peak 6437 from nnoeabs.peaks (2.33, 8.51, 121.41 ppm; 3.41 A): 2 out of 3 assignments used, quality = 0.78: * HB3 GLN 47 + H LYS 48 OK 73 100 - 73 - 4.7=39, 1.8/1108=21...(11) HB2 PRO 98 + H LYS 48 OK 20 81 - 24 - 1093/3.6=7, 1103/4.7=5...(7) HG2 GLU 142 - H LYS 48 lone 2 77 - 3 - Peak 6438 from nnoeabs.peaks (2.42, 8.51, 121.41 ppm; 3.46 A): 2 out of 9 assignments used, quality = 0.95: * HG2 GLN 47 + H LYS 48 OK 78 100 - 78 - 4.9=35, 3.0/6437=21...(16) HG3 GLN 47 + H LYS 48 OK 78 100 - 78 - 4.9=35, 3.0/6437=21...(16) HG2 GLN 133 - H LYS 48 OK 28 99 - 28 - 1136=5, 1120/3.6=4...(12) HG3 GLN 133 - H LYS 48 OK 27 98 - 28 - 1136=5, 1120/3.6=4...(12) QE MET 46 - H LYS 48 OK 20 92 - 22 - 5.9/6432=9, 5.2/6433=6...(4) HG2 MET 68 - H LYS 48 lone 6 98 - 6 - HB3 PRO 118 - H LYS 48 lone 5 94 - 5 - HB3 PRO 33 - H LYS 48 lone 4 89 - 4 - 1094/3.6=1, 1115/4.7=1 HG2 MET 11 - H LYS 48 lone 1 62 - 2 - ~10591=1 Peak 6439 from nnoeabs.peaks (2.42, 8.51, 121.41 ppm; 3.46 A): 2 out of 9 assignments used, quality = 0.95: HG2 GLN 47 + H LYS 48 OK 78 100 - 78 - 4.9=35, 3.0/6437=21...(16) * HG3 GLN 47 + H LYS 48 OK 78 100 - 78 - 4.9=35, 3.0/6437=21...(16) HG2 GLN 133 - H LYS 48 OK 28 99 - 28 - 1136=5, 1120/3.6=4...(12) HG3 GLN 133 - H LYS 48 OK 27 98 - 28 - 1136=5, 1120/3.6=4...(12) QE MET 46 - H LYS 48 OK 20 92 - 22 - 5.9/6432=9, 5.2/6433=6...(4) HG2 MET 68 - H LYS 48 lone 6 98 - 6 - HB3 PRO 118 - H LYS 48 lone 5 94 - 5 - HB3 PRO 33 - H LYS 48 lone 4 89 - 4 - 1094/3.6=1, 1115/4.7=1 HG2 MET 11 - H LYS 48 lone 1 62 - 2 - ~10591=1 Peak 6442 from nnoeabs.peaks (3.95, 8.51, 121.41 ppm; 3.33 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 48 + H LYS 48 OK 100 100 - 100 - 3.0=100 HA PHE 106 - H LYS 48 OK 23 98 - 23 - 3.6/7260=5, 4.8/3450=3...(7) HB3 SER 103 - H LYS 48 OK 15 89 - 16 - 3.0/6430=4, 4.6/6434=2 HA3 GLY 94 - H LYS 48 lone 8 100 - 8 - 1173/4.9=1 HA ALA 60 - H LYS 48 lone 7 100 - 7 - HD3 PRO 129 - H LYS 48 lone 3 81 - 4 - 6454/4.6=1 HA LEU 29 - H LYS 48 lone 3 77 - 4 - Peak 6443 from nnoeabs.peaks (1.87, 8.51, 121.41 ppm; 2.80 A): 2 out of 8 assignments used, quality = 0.96: * HB2 LYS 48 + H LYS 48 OK 81 100 - 81 - 3.8=40, 2.9/1172=12...(25) HB3 LYS 48 + H LYS 48 OK 78 96 - 81 - 3.8=40, 1.8/1149=13...(26) HB2 LYS 36 - H LYS 48 OK 14 99 - 15 - 1149=3, 1139/3.0=2...(5) HB2 ARG 144 - H LYS 48 lone 10 100 - 10 - 1139/3.0=2, 3.0/6446=2 HB3 LYS 85 - H LYS 48 lone 7 94 - 7 - 2.9/6431=2, 1139/3.0=1 HB3 LYS 76 - H LYS 48 lone 4 81 - 5 - 1.8/6445=1 HG LEU 69 - H LYS 48 lone 2 89 - 3 - HB3 GLU 28 - H LYS 48 lone 1 77 - 1 - Peak 6444 from nnoeabs.peaks (1.87, 8.51, 121.41 ppm; 2.80 A): 2 out of 8 assignments used, quality = 0.96: * HB3 LYS 48 + H LYS 48 OK 81 100 - 81 - 3.8=40, 1.8/1149=13...(26) HB2 LYS 48 + H LYS 48 OK 78 96 - 81 - 3.8=40, 2.9/1172=12...(24) HB2 LYS 36 - H LYS 48 OK 14 100 - 14 - 1161=2, 3.0/1183=2...(5) HB2 ARG 144 - H LYS 48 lone 10 100 - 10 - 1139/3.0=2, 3.0/6446=2 HB3 ARG 141 - H LYS 48 poor 9 72 - 12 - ~10502=2, 2.8/6446=1...(4) HB3 LYS 93 - H LYS 48 poor 8 57 - 15 - 3.4/6448=2, 3.0/6431=2...(4) HB3 LYS 85 - H LYS 48 lone 5 72 - 6 - 2.9/6431=2, 1139/3.0=1 HG LEU 69 - H LYS 48 lone 1 62 - 2 - Peak 6445 from nnoeabs.peaks (1.45, 8.51, 121.41 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.96: * HG2 LYS 48 + H LYS 48 OK 96 100 - 96 - 4.9=51, 1141/3.0=26...(30) HB3 LYS 114 - H LYS 48 OK 25 89 - 28 - 3.9/6451=9, 1141/3.0=5...(9) HB3 LYS 123 - H LYS 48 OK 12 100 - 12 - 4.8/6436=3, 1141/3.0=2...(4) HB2 LYS 76 - H LYS 48 OK 12 85 - 14 - 8654/3501=3, 1141/3.0=3...(5) HB3 LEU 66 - H LYS 48 lone 6 100 - 6 - 1141/3.0=1 HG LEU 126 - H LYS 48 lone 2 62 - 4 - Peak 6446 from nnoeabs.peaks (1.60, 8.51, 121.41 ppm; 3.35 A): 2 out of 13 assignments used, quality = 0.94: * HG3 LYS 48 + H LYS 48 OK 89 100 - 89 - 4.9=32, 1.8/1172=22...(30) HG LEU 108 + H LYS 48 OK 39 96 - 41 - 2.1/3509=9, 2.1/3501=8...(9) HG3 LYS 36 - H LYS 48 OK 26 92 - 29 - 1183=6, 1184/3.0=4...(8) HG2 ARG 144 - H LYS 48 OK 20 100 - 20 - 4903/3.8=3, 4903/3.8=3...(7) HG2 ARG 141 - H LYS 48 OK 17 98 - 17 - 1142/3.0=2, 4903/3.8=2...(8) HG3 ARG 49 - H LYS 48 OK 14 72 - 19 - 5.0/6451=8, 3493=3...(4) HB2 LEU 97 - H LYS 48 OK 11 99 - 11 - 4.8/6433=3, 1142/3.0=1 HG3 ARG 144 - H LYS 48 OK 11 62 - 17 - 1142/3.0=3, 4912/3.8=2...(7) HB2 LEU 87 - H LYS 48 lone 5 68 - 7 - 1142/3.0=1 HB3 LEU 64 - H LYS 48 lone 3 62 - 5 - HD2 LYS 61 - H LYS 48 lone 2 92 - 2 - HD3 LYS 61 - H LYS 48 lone 2 92 - 2 - HB2 LEU 79 - H LYS 48 lone 2 96 - 2 - Peak 6447 from nnoeabs.peaks (1.67, 8.51, 121.41 ppm; 3.56 A): 2 out of 13 assignments used, quality = 0.98: * HD2 LYS 48 + H LYS 48 OK 87 100 - 87 - 6.0=21, 3.0/1172=19...(29) HD3 LYS 48 + H LYS 48 OK 83 94 - 88 - 6.0=21, 3.0/1172=19...(29) HD2 LYS 93 - H LYS 48 OK 33 77 - 43 - 1205=6, 1144/3.0=5...(18) HD3 LYS 93 - H LYS 48 OK 23 62 - 37 - 1.8/1205=6, 1144/3.0=5...(13) HB2 LYS 114 - H LYS 48 OK 14 62 - 22 - 3.9/6451=7, 1.8/6445=5...(7) HB2 MET 68 - H LYS 48 lone 6 99 - 6 - HG2 ARG 140 - H LYS 48 lone 5 81 - 6 - 4732/4.6=2, 4.9/6434=2 HG13 ILE 136 - H LYS 48 lone 3 77 - 4 - HG2 ARG 89 - H LYS 48 lone 3 100 - 3 - HB2 LEU 95 - H LYS 48 lone 3 100 - 3 - HB VAL 71 - H LYS 48 lone 2 100 - 2 - HG2 ARG 124 - H LYS 48 lone 2 100 - 2 - HB2 ARG 145 - H LYS 48 lone 1 100 - 1 - Peak 6448 from nnoeabs.peaks (1.67, 8.51, 121.41 ppm; 4.07 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 48 + H LYS 48 OK 94 100 - 94 - 6.0=31, 3.0/1172=24...(30) HD2 LYS 48 + H LYS 48 OK 89 94 - 94 - 6.0=31, 3.0/1172=24...(32) HD2 LYS 93 + H LYS 48 OK 54 98 - 56 - 1205=9, 1144/3.0=7...(25) HG3 ARG 141 - H LYS 48 OK 18 85 - 21 - 1144/3.0=3, 1.8/6446=3...(9) HG LEU 97 - H LYS 48 lone 6 81 - 8 - 3.0/6446=2 HB2 MET 68 - H LYS 48 lone 5 81 - 6 - HG2 ARG 89 - H LYS 48 lone 3 94 - 3 - HB2 LEU 95 - H LYS 48 lone 3 94 - 3 - HB VAL 71 - H LYS 48 lone 2 94 - 2 - HB2 ARG 145 - H LYS 48 lone 2 99 - 2 - HG2 ARG 124 - H LYS 48 lone 2 85 - 2 - Peak 6451 from nnoeabs.peaks (7.39, 8.51, 121.41 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.79: * H ARG 49 + H LYS 48 OK 68 100 - 68 - 4.6=41, 6454/3.0=12...(11) H LYS 114 + H LYS 48 OK 35 100 - 35 - 6453=14, 1147/3.0=7...(11) H ASP 41 - H LYS 48 lone 6 92 - 6 - 2.9/6430=1, 1147/3.0=1 Peak 6452 from nnoeabs.peaks (7.39, 7.39, 115.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ARG 49 + H ARG 49 OK 100 100 - 100 H LYS 114 + H LYS 114 OK 98 98 - 100 Peak 6453 from nnoeabs.peaks (8.51, 7.39, 115.67 ppm; 3.16 A): 3 out of 4 assignments used, quality = 0.76: * H LYS 48 + H ARG 49 OK 58 100 - 58 - 4.6=32, 3.0/6454=10...(11) H LYS 48 + H LYS 114 OK 30 99 - 31 - 6451=12, 3.0/1147=6...(9) H LEU 108 + H ARG 49 OK 18 100 - 18 - 1137/3.6=5, 1172/4.9=3...(7) H LEU 108 - H LYS 114 lone 3 98 - 3 - Peak 6454 from nnoeabs.peaks (3.95, 7.39, 115.67 ppm; 3.26 A): 5 out of 14 assignments used, quality = 0.95: * HA LYS 48 + H ARG 49 OK 88 100 - 88 - 3.6=77, 3.0/6451=15...(10) HA LYS 48 + H LYS 114 OK 36 99 - 36 - 1147=9, 3.0/6451=8...(11) HD3 PRO 129 + H ARG 49 OK 16 81 - 19 - ~8198=4, 1.8/7395=4...(8) HA ALA 60 + H ARG 49 OK 13 100 - 13 - 2.1/6465=3, 1643/3.7=3...(4) HD3 PRO 129 + H LYS 114 OK 10 78 - 13 - 1.8/7395=2, 2.3/7400=2...(6) HA PHE 106 - H ARG 49 poor 10 98 - 10 - 6442/4.6=2, 11130/4.9=2...(5) HA LEU 29 - H LYS 114 lone 7 74 - 9 - 2.9/7409=3, 4.0/10670=1...(4) HA LEU 29 - H ARG 49 lone 6 77 - 8 - 8187/4.6=2, 4.0/10670=2 HB3 SER 103 - H ARG 49 lone 5 89 - 6 - 6442/4.6=1 HA3 GLY 94 - H ARG 49 lone 5 100 - 5 - HA ALA 60 - H LYS 114 lone 3 98 - 3 - HB3 SER 103 - H LYS 114 lone 3 86 - 3 - HA PHE 106 - H LYS 114 lone 2 96 - 2 - HA3 GLY 94 - H LYS 114 lone 1 98 - 1 - Peak 6455 from nnoeabs.peaks (1.87, 7.39, 115.67 ppm; 3.03 A): 6 out of 16 assignments used, quality = 0.95: * HB2 LYS 48 + H ARG 49 OK 62 100 - 62 - 4.3=35, 3.8/6451=10...(10) HB3 LYS 48 + H ARG 49 OK 60 96 - 63 - 4.3=35, 3.8/6451=10...(10) HB2 LYS 48 + H LYS 114 OK 30 99 - 31 - 1159=5, 3.8/6451=5...(9) HB3 LYS 48 + H LYS 114 OK 28 94 - 30 - 3.8/6451=5, 3.0/1147=5...(9) HB2 ARG 144 + H ARG 49 OK 22 100 - 22 - 1.8/6464=3, 3.0/6467=2...(15) HB2 LYS 36 + H ARG 49 OK 14 99 - 14 - 1139/3.6=2, 1159=2...(6) HG LEU 69 - H LYS 114 poor 9 86 - 10 - ~9315=3, 3.0/6466=1 HB3 LYS 76 - H ARG 49 poor 9 81 - 10 - 2269/3.7=3, 3.5/6465=3 HB3 LYS 76 - H LYS 114 lone 5 78 - 7 - 3.5/6465=1, 5.1/3809=1 HB2 ARG 144 - H LYS 114 lone 5 98 - 5 - HB3 LYS 85 - H ARG 49 lone 5 94 - 5 - 1139/3.6=1 HB2 LYS 36 - H LYS 114 lone 4 97 - 4 - HG LEU 69 - H ARG 49 lone 4 89 - 5 - 3.0/6466=1 HB3 LYS 85 - H LYS 114 lone 2 92 - 2 - HB3 GLU 28 - H ARG 49 lone 1 77 - 1 - HB3 GLU 28 - H LYS 114 lone 0 74 - 1 - Peak 6456 from nnoeabs.peaks (1.87, 7.39, 115.67 ppm; 3.03 A): 4 out of 16 assignments used, quality = 0.93: * HB3 LYS 48 + H ARG 49 OK 63 100 - 63 - 4.3=35, 3.8/6451=10...(10) HB2 LYS 48 + H ARG 49 OK 60 96 - 62 - 4.3=35, 3.8/6451=10...(10) HB3 LYS 48 + H LYS 114 OK 30 99 - 30 - 3.8/6451=5, 3.0/1147=5...(9) HB2 LYS 48 + H LYS 114 OK 28 94 - 30 - 3.8/6451=5, 3.0/1147=5...(9) HB2 ARG 144 - H ARG 49 OK 23 100 - 23 - 1.8/6464=3, 3.0/6467=2...(15) HB2 LYS 36 - H ARG 49 OK 14 100 - 14 - 1139/3.6=2, 1171=2...(6) HG LEU 69 - H LYS 114 lone 5 60 - 9 - ~9315=3, 3.0/6466=1 HB2 ARG 144 - H LYS 114 lone 5 98 - 5 - HB3 LYS 93 - H LYS 114 lone 5 55 - 9 - 3.4/7404=1, ~3736=1, 3.4/1215=1 HB3 ARG 141 - H ARG 49 lone 5 72 - 6 - 1140/3.6=1 HB2 LYS 36 - H LYS 114 lone 4 98 - 4 - HB3 LYS 93 - H ARG 49 lone 4 57 - 8 - 3.4/1215=2, 3.4/7404=1...(5) HB3 LYS 85 - H ARG 49 lone 3 72 - 4 - 1139/3.6=1 HG LEU 69 - H ARG 49 lone 3 62 - 4 - 3.0/6466=1 HB3 ARG 141 - H LYS 114 lone 1 70 - 2 - HB3 LYS 85 - H LYS 114 lone 1 70 - 2 - Peak 6457 from nnoeabs.peaks (1.45, 7.39, 115.67 ppm; 2.84 A): 4 out of 12 assignments used, quality = 0.91: HB3 LYS 114 + H LYS 114 OK 62 86 - 72 - 3.9=38, 1.8/3742=13...(18) * HG2 LYS 48 + H ARG 49 OK 51 100 - 51 - 4.9=19, 1141/3.6=11...(9) HB3 LYS 114 + H ARG 49 OK 35 89 - 39 - 1.8/3742=7, 3754=7...(12) HG2 LYS 48 + H LYS 114 OK 27 99 - 27 - 3.8/1147=4, 1.8/6458=3...(12) HB2 LYS 76 - H ARG 49 poor 9 85 - 10 - 2257/3.7=3, 3.5/6465=2 HB3 LEU 66 - H LYS 114 lone 9 98 - 9 - 3.0/7392=1, 3745/3.9=1...(4) HB3 LYS 123 - H LYS 114 lone 6 98 - 6 - 3733/3.0=1 HG LEU 126 - H LYS 114 lone 5 60 - 8 - ~9317=2, ~9316=1, ~9964=1 HB3 LEU 66 - H ARG 49 lone 5 100 - 5 - HB3 LYS 123 - H ARG 49 lone 5 100 - 5 - HB2 LYS 76 - H LYS 114 lone 4 82 - 5 - 3.5/6465=1 HG LEU 126 - H ARG 49 lone 2 62 - 3 - Peak 6458 from nnoeabs.peaks (1.60, 7.39, 115.67 ppm; 3.08 A): 5 out of 26 assignments used, quality = 0.91: * HG3 LYS 48 + H ARG 49 OK 58 100 - 58 - 4.9=25, 1184/3.6=10...(11) HG3 ARG 49 + H ARG 49 OK 46 72 - 63 - 5.0=23, 1.8/1265=12...(15) HG3 LYS 48 + H LYS 114 OK 32 99 - 32 - 1.8/6457=5, 3.8/1147=4...(11) HG2 ARG 144 + H ARG 49 OK 23 100 - 23 - 3.0/6456=2, 3.0/6464=2...(12) HG3 ARG 49 + H LYS 114 OK 21 70 - 30 - 1.8/1265=6, 3.0/1247=6...(7) HG3 LYS 36 - H ARG 49 OK 18 92 - 20 - 1184/3.6=3, 696/4.3=2...(11) HB2 LEU 97 - H ARG 49 OK 16 99 - 16 - 3195/4.6=3, 4.0/6470=3...(6) HG3 ARG 144 - H ARG 49 OK 14 62 - 22 - 3.0/6456=2, 1243/2.9=2...(11) HG LEU 108 - H ARG 49 OK 13 96 - 14 - 3493/4.6=3, 5.1/6453=2...(6) HG2 ARG 141 - H ARG 49 poor 10 98 - 10 - 1142/3.6=2, 4903/4.3=1...(4) HB2 LEU 79 - H LYS 114 lone 7 94 - 7 - ~9317=3, ~9316=3 HB2 LEU 87 - H ARG 49 lone 7 68 - 10 - 4.0/7412=1, 3.0/7393=1 HB2 LEU 87 - H LYS 114 poor 7 65 - 10 - 4.0/7412=3, 3.0/7393=3 HG LEU 108 - H LYS 114 lone 6 94 - 6 - ~9257=1, ~9257=1 HG3 LYS 36 - H LYS 114 lone 5 89 - 5 - HB2 LEU 97 - H LYS 114 lone 4 97 - 4 - HG2 ARG 144 - H LYS 114 lone 4 99 - 4 - HB3 LEU 64 - H ARG 49 lone 3 62 - 5 - HB3 LEU 64 - H LYS 114 lone 3 60 - 5 - ~9317=2 HG3 ARG 144 - H LYS 114 lone 2 60 - 4 - HG2 ARG 141 - H LYS 114 lone 2 96 - 2 - HD2 LYS 61 - H ARG 49 lone 2 92 - 2 - HD3 LYS 61 - H ARG 49 lone 2 92 - 2 - HB2 LEU 79 - H ARG 49 lone 1 96 - 1 - HD2 LYS 61 - H LYS 114 lone 1 89 - 1 - HD3 LYS 61 - H LYS 114 lone 1 89 - 1 - Peak 6463 from nnoeabs.peaks (4.27, 7.39, 115.67 ppm; 3.27 A): 2 out of 18 assignments used, quality = 1.00: * HA ARG 49 + H ARG 49 OK 100 100 - 100 - 2.9=100 HA ARG 49 + H LYS 114 OK 46 99 - 46 - 1238=13, 3.6/6472=7...(12) HA2 GLY 50 - H ARG 49 OK 39 85 - 46 - 2.9/6472=17, 3.6/8208=11...(11) HA3 GLY 78 - H ARG 49 OK 23 94 - 24 - 1248/3.7=3, 1257/3.7=3...(12) HA2 GLY 50 - H LYS 114 OK 17 82 - 21 - 2.9/6472=8, 3.6/8208=4...(4) HA ARG 140 - H ARG 49 OK 16 99 - 16 - 4708/3.7=3, 3.8/6464=2...(4) HA SER 138 - H ARG 49 OK 10 92 - 11 - 1248/3.7=1, 1257/3.7=1 HA LEU 95 - H ARG 49 lone 10 100 - 10 - 1257/3.7=1, 1248/3.7=1 HA SER 138 - H LYS 114 poor 10 89 - 11 - 4.8/7393=2, 3.0/7403=1...(5) HA ARG 140 - H LYS 114 lone 9 97 - 9 - 4.9/7393=2, 10370/3613=1 HA ALA 135 - H ARG 49 lone 5 81 - 6 - 1257/3.7=1 HA PRO 118 - H ARG 49 lone 5 92 - 5 - HB THR 99 - H ARG 49 lone 4 94 - 5 - HA LEU 95 - H LYS 114 lone 3 99 - 3 - HA3 GLY 78 - H LYS 114 lone 3 92 - 3 - HB THR 99 - H LYS 114 lone 2 92 - 2 - ~10159=1 HA ALA 135 - H LYS 114 lone 2 78 - 3 - HA PRO 118 - H LYS 114 lone 1 89 - 1 - Peak 6464 from nnoeabs.peaks (1.74, 7.39, 115.67 ppm; 3.27 A): 2 out of 14 assignments used, quality = 0.92: * HB2 ARG 49 + H ARG 49 OK 87 100 - 87 - 3.7=67, 1.8/6465=17...(15) HB2 ARG 49 + H LYS 114 OK 41 99 - 41 - 1247=10, 1.8/1256=8...(9) HB3 ARG 144 - H ARG 49 OK 23 81 - 28 - 1.8/6456=3, 1240/2.9=3...(14) HG3 ARG 140 - H ARG 49 OK 21 100 - 21 - 4742/2.9=4, 1.8/7404=2...(7) HD2 LYS 36 - H ARG 49 OK 16 89 - 18 - 1240/2.9=2, 1258/3.7=2...(9) HB2 GLU 81 - H ARG 49 OK 13 100 - 13 - 1258/3.7=3, 1240/2.9=2...(4) HB ILE 83 - H ARG 49 OK 10 77 - 13 - 1240/2.9=2, 1258/3.7=2...(7) HG3 ARG 140 - H LYS 114 lone 8 99 - 8 - 1.8/7404=1 HB3 GLU 81 - H ARG 49 lone 7 68 - 10 - 1258/3.7=2, 1240/2.9=1...(4) HB3 ARG 144 - H LYS 114 lone 5 78 - 7 - HD2 LYS 36 - H LYS 114 lone 4 86 - 4 - HB2 GLU 81 - H LYS 114 lone 3 98 - 3 - HB ILE 83 - H LYS 114 lone 2 74 - 3 - HB3 GLU 81 - H LYS 114 lone 1 65 - 2 - Peak 6465 from nnoeabs.peaks (1.34, 7.39, 115.67 ppm; 3.10 A): 5 out of 6 assignments used, quality = 0.93: * HB3 ARG 49 + H ARG 49 OK 80 100 - 80 - 3.7=57, 1.8/6464=12...(14) HB3 ARG 49 + H LYS 114 OK 36 99 - 37 - 1256=8, 1.8/1247=7...(8) HD3 LYS 76 + H ARG 49 OK 24 100 - 25 - 1241/2.9=6, 1250/3.7=5...(9) QB ALA 60 + H ARG 49 OK 16 98 - 16 - 1241/2.9=3, 1250/3.7=2...(8) HD3 LYS 76 + H LYS 114 OK 14 98 - 14 - 3.0/3809=2, 3.0/3809=2, ~3738=1 QB ALA 60 - H LYS 114 lone 4 96 - 4 - Peak 6466 from nnoeabs.peaks (1.39, 7.39, 115.67 ppm; 3.02 A): 7 out of 14 assignments used, quality = 0.88: * HG2 ARG 49 + H ARG 49 OK 67 100 - 67 - 5.0=22, 1.8/1274=12...(15) HG2 ARG 49 + H LYS 114 OK 31 99 - 32 - 1265=6, 1.8/1274=6...(8) HG2 LYS 86 + H ARG 49 OK 15 99 - 15 - 1260/3.7=3, 1242/2.9=3...(6) HB2 LEU 69 + H LYS 114 OK 12 98 - 12 - ~9315=2, 2012/3.6=1 HB3 LEU 39 + H ARG 49 OK 11 85 - 12 - 1242/2.9=2, 1251/3.7=2...(6) HB2 LEU 69 + H ARG 49 OK 11 100 - 11 - 1242/2.9=2, 1260/3.7=1...(4) HG LEU 132 + H ARG 49 OK 10 89 - 11 - 1242/2.9=2, 1260/3.7=2...(4) HB2 ARG 109 - H LYS 114 poor 10 94 - 10 - ~10554=5, ~7373=4 HB2 ARG 109 - H ARG 49 lone 8 96 - 9 - 1242/2.9=2, 1251/3.7=1 HG2 LYS 86 - H LYS 114 lone 7 97 - 7 - HB VAL 82 - H LYS 114 lone 6 60 - 9 - ~10254=4, ~3734=3, 2483/4.9=1 HG LEU 132 - H LYS 114 lone 5 86 - 6 - 9334/3729=1 HB3 LEU 39 - H LYS 114 lone 4 82 - 5 - 4.3/6286=2 HB VAL 82 - H ARG 49 lone 4 62 - 6 - 1242/2.9=1 Peak 6467 from nnoeabs.peaks (1.61, 7.39, 115.67 ppm; 3.08 A): 5 out of 22 assignments used, quality = 0.93: * HG3 ARG 49 + H ARG 49 OK 67 100 - 67 - 5.0=23, 1.8/1265=12...(16) HG3 LYS 48 + H ARG 49 OK 40 72 - 56 - 4.9=25, 1.8/6457=9...(10) HG3 ARG 49 + H LYS 114 OK 33 99 - 33 - 1274=7, 1.8/1265=6...(7) HG3 ARG 144 + H ARG 49 OK 29 100 - 30 - 1243/2.9=3, 4912/4.3=3...(14) HG3 LYS 48 + H LYS 114 OK 21 70 - 30 - 1.8/6457=5, 3.8/1147=4...(11) HG2 ARG 144 - H ARG 49 OK 18 77 - 23 - 1243/2.9=2, 3.0/6456=2...(12) HG LEU 108 - H ARG 49 OK 16 94 - 17 - 3493/4.6=3, 1274=3...(7) HB2 LEU 97 - H ARG 49 OK 15 89 - 17 - 3195/4.6=3, 4.0/6470=3...(6) HB2 LEU 87 - H LYS 114 OK 13 99 - 13 - 4.0/7412=3, 3.0/7393=3...(4) HB2 LEU 87 - H ARG 49 OK 12 100 - 12 - 4.0/7412=1, 3.0/7393=1 HG2 ARG 141 - H ARG 49 lone 9 92 - 9 - 1142/3.6=2, 1177/4.9=1 HB3 LEU 64 - H ARG 49 lone 7 100 - 7 - HD2 LYS 24 - H LYS 114 poor 6 65 - 10 - 5.3/11366=4, 11345=3 HG LEU 108 - H LYS 114 lone 6 92 - 7 - ~9257=1, 1274=1, ~9257=1 HD2 LYS 24 - H ARG 49 lone 6 68 - 9 - 5.3/11366=3, 11345=2 HB3 LEU 64 - H LYS 114 lone 6 98 - 6 - ~9317=2 HG3 ARG 144 - H LYS 114 lone 6 98 - 6 - HB2 LEU 97 - H LYS 114 lone 4 86 - 4 - HG3 LYS 34 - H LYS 114 lone 3 65 - 5 - 1.8/7409=1 HG2 ARG 144 - H LYS 114 lone 3 74 - 4 - HG3 LYS 34 - H ARG 49 lone 2 68 - 3 - HG2 ARG 141 - H LYS 114 lone 2 89 - 2 - Peak 6468 from nnoeabs.peaks (2.07, 7.39, 115.67 ppm; 4.60 A): 2 out of 16 assignments used, quality = 0.96: * HD2 ARG 49 + H ARG 49 OK 90 100 - 90 - 6.4=38, 3.0/1274=20...(18) HD2 ARG 49 + H LYS 114 OK 54 99 - 55 - 10664=14, 3.0/1265=11...(9) HB2 PRO 129 - H ARG 49 OK 42 96 - 44 - 1244/2.9=7, ~8198=6...(11) HB2 PRO 129 - H LYS 114 OK 27 94 - 28 - 2.3/7400=4, 4379/4.7=4...(8) HG2 GLU 122 - H LYS 114 OK 20 92 - 22 - 3.9/3730=2, 4081/3.6=2...(11) HG3 PRO 98 - H ARG 49 OK 18 72 - 25 - 1253/3.7=5, 2.3/7395=4...(7) HA ARG 35 - H ARG 49 OK 17 72 - 24 - 1253/3.7=4, 1262/3.7=4...(8) HB3 LYS 61 - H ARG 49 OK 15 100 - 14 - 1262/3.7=3, 1244/2.9=2...(6) HB2 LEU 26 - H LYS 114 OK 14 98 - 14 - 246/3.9=5, ~3732=2...(4) HB2 LEU 26 - H ARG 49 OK 13 100 - 13 - 1262/3.7=2, 1253/3.7=2...(6) HG2 GLU 122 - H ARG 49 OK 12 94 - 12 - 1298/6.4=2, 1280/5.0=2...(6) HG3 PRO 98 - H LYS 114 poor 10 70 - 14 - ~7380=2, 10113/3.9=2...(4) HA ARG 35 - H LYS 114 poor 8 70 - 12 - 585/4.9=3, 583/5.9=2...(4) HB3 GLN 62 - H ARG 49 lone 6 100 - 6 - HB3 LYS 61 - H LYS 114 lone 6 98 - 6 - ~7373=1 HB3 GLN 62 - H LYS 114 lone 4 98 - 4 - Peak 6469 from nnoeabs.peaks (3.08, 7.39, 115.67 ppm; 5.38 A): 3 out of 14 assignments used, quality = 0.99: * HD3 ARG 49 + H ARG 49 OK 97 100 - 97 - 6.4=60, 1.8/10664=26...(18) HD3 ARG 49 + H LYS 114 OK 63 99 - 64 - 1.8/10664=15...(10) HA2 GLY 78 + H ARG 49 OK 47 100 - 48 - 1245/2.9=10, 1254/3.7=9...(9) HE2 LYS 86 - H ARG 49 OK 21 68 - 32 - 1263/3.7=5, 1254/3.7=5...(10) HA TYR 119 - H ARG 49 OK 19 99 - 19 - 1263/3.7=3, 1254/3.7=2...(8) HE3 LYS 86 - H ARG 49 OK 19 62 - 30 - 1263/3.7=5, 1254/3.7=5...(10) HB3 TRP 88 - H ARG 49 OK 18 81 - 22 - 1245/2.9=3, 1263/3.7=3...(8) HA TYR 119 - H LYS 114 poor 10 97 - 10 - 9338/3729=2, 10311/3.6=2 HA2 GLY 78 - H LYS 114 lone 10 98 - 10 - 1263/1256=1, 1245/1238=1...(6) HB3 ASP 30 - H ARG 49 lone 7 81 - 8 - 1245/2.9=1, 1263/3.7=1 HB3 TRP 88 - H LYS 114 lone 7 78 - 8 - 3.0/795=2 HE2 LYS 86 - H LYS 114 lone 6 65 - 10 - 3.9/6466=2, 4.9/7398=1 HE3 LYS 86 - H LYS 114 lone 6 60 - 10 - 3.9/6466=2, 4.9/7398=1 HB3 ASP 30 - H LYS 114 lone 4 78 - 4 - 4.4/9312=1 Peak 6470 from nnoeabs.peaks (7.66, 7.39, 115.67 ppm; 3.31 A): 3 out of 6 assignments used, quality = 0.87: * H GLY 50 + H ARG 49 OK 72 100 - 72 - 4.6=36, 6473/2.9=11...(16) H GLY 50 + H LYS 114 OK 38 99 - 38 - 6472=16, 3.6/1238=6...(9) H LEU 97 + H ARG 49 OK 26 100 - 26 - 1246/2.9=6, 1264/3.7=6...(8) H LEU 97 - H LYS 114 lone 8 98 - 8 - HD21 ASN 130 - H LYS 114 lone 1 70 - 2 - HD21 ASN 130 - H ARG 49 lone 1 72 - 2 - Peak 6471 from nnoeabs.peaks (7.66, 7.66, 106.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 50 + H GLY 50 OK 100 100 - 100 Peak 6472 from nnoeabs.peaks (7.39, 7.66, 106.82 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.79: * H ARG 49 + H GLY 50 OK 69 100 - 69 - 4.6=33, 2.9/6473=10...(16) H LYS 114 + H GLY 50 OK 33 100 - 34 - 6470=12, 1238/3.6=6...(9) H ASP 41 - H GLY 50 lone 5 92 - 5 - 1238/3.6=1, 1256/4.7=1 Peak 6473 from nnoeabs.peaks (4.27, 7.66, 106.82 ppm; 2.97 A): 2 out of 9 assignments used, quality = 0.97: HA2 GLY 50 + H GLY 50 OK 85 85 - 100 - 2.9=100 * HA ARG 49 + H GLY 50 OK 78 100 - 78 - 3.6=58, 2.9/6472=14...(15) HA LEU 95 - H GLY 50 OK 14 100 - 14 - 3.0/11579=4, 3.6/7135=3 HA ARG 140 - H GLY 50 lone 8 99 - 8 - 3.8/6474=2, 4708/4.7=1...(4) HB THR 99 - H GLY 50 lone 7 94 - 7 - ~10160=1 HA PRO 118 - H GLY 50 lone 6 92 - 6 - 2.3/8190=3 HA3 GLY 78 - H GLY 50 lone 6 94 - 6 - 1257/4.7=2, 1248/4.7=2 HA SER 138 - H GLY 50 lone 4 92 - 4 - HA ALA 135 - H GLY 50 lone 4 81 - 4 - Peak 6474 from nnoeabs.peaks (1.74, 7.66, 106.82 ppm; 4.40 A): 1 out of 7 assignments used, quality = 0.97: * HB2 ARG 49 + H GLY 50 OK 97 100 - 97 - 4.7=84, 1.8/6475=27...(19) HB3 ARG 144 - H GLY 50 OK 27 81 - 34 - 1.8/8191=8, 4.3/6482=5...(9) HG3 ARG 140 - H GLY 50 OK 26 100 - 26 - 4742/3.6=6, ~8230=4...(9) HD2 LYS 36 - H GLY 50 OK 13 89 - 15 - 1240/3.6=3, 1258/4.7=3...(5) HB2 GLU 81 - H GLY 50 OK 13 100 - 13 - 1258/4.7=4, 1240/3.6=3...(4) HB ILE 83 - H GLY 50 OK 10 77 - 14 - 1240/3.6=3, 1258/4.7=3...(5) HB3 GLU 81 - H GLY 50 lone 5 68 - 8 - 1258/4.7=2, 1240/3.6=2 Peak 6475 from nnoeabs.peaks (1.34, 7.66, 106.82 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.94: * HB3 ARG 49 + H GLY 50 OK 92 100 - 92 - 4.7=70, 3.7/6472=21...(21) QB ALA 60 + H GLY 50 OK 28 98 - 28 - 2.1/8187=7, 1241/3.6=4...(10) HD3 LYS 76 - H GLY 50 OK 24 100 - 24 - 1241/3.6=8, 1250/4.7=7...(5) Peak 6476 from nnoeabs.peaks (1.39, 7.66, 106.82 ppm; 4.20 A): 6 out of 7 assignments used, quality = 0.88: * HG2 ARG 49 + H GLY 50 OK 72 100 - 72 - 3.0/6475=20, 1242/3.6=16...(18) HB2 LEU 69 + H GLY 50 OK 19 100 - 19 - ~8465=3, 1242/3.6=2...(10) HB3 LEU 39 + H GLY 50 OK 17 85 - 20 - 1242/3.6=3, 1.8/8192=3...(8) HG2 LYS 86 + H GLY 50 OK 16 99 - 17 - 1242/3.6=4, 1260/4.7=4...(5) HG LEU 132 + H GLY 50 OK 15 89 - 16 - 1242/3.6=3, 1260/4.7=3...(5) HB2 ARG 109 + H GLY 50 OK 10 96 - 11 - 1242/3.6=3, 1251/4.7=2...(4) HB VAL 82 - H GLY 50 lone 5 62 - 8 - 1242/3.6=2, 1251/4.7=1 Peak 6477 from nnoeabs.peaks (1.61, 7.66, 106.82 ppm; 4.31 A): 4 out of 11 assignments used, quality = 0.96: * HG3 ARG 49 + H GLY 50 OK 76 100 - 76 - 3.0/6475=21, 1.8/6476=19...(18) HB2 LEU 97 + H GLY 50 OK 59 89 - 66 - 1.8/3202=13, 3195=13...(19) HG3 ARG 144 + H GLY 50 OK 36 100 - 36 - 8221/4.4=8, 3.0/8191=6...(10) HG3 LYS 48 + H GLY 50 OK 34 72 - 47 - 4.9/6472=16, 3.8/8187=14...(7) HB3 LEU 64 - H GLY 50 OK 29 100 - 29 - 3.0/9850=13, 3.1/9847=7...(6) HG2 ARG 144 - H GLY 50 OK 20 77 - 26 - 3.0/8191=6, 3.0/6474=4...(7) HG LEU 108 - H GLY 50 OK 14 94 - 14 - 1277/4.7=3, 1252/4.7=3...(4) HB2 LEU 87 - H GLY 50 OK 12 100 - 12 - 1828/9850=2, 1261/4.7=2...(5) HG2 ARG 141 - H GLY 50 OK 12 92 - 13 - 2.8/8191=2, 1243/3.6=1 HD2 LYS 24 - H GLY 50 lone 7 68 - 10 - 11345/4.6=4, 8221/4.4=1 HG3 LYS 34 - H GLY 50 lone 4 68 - 6 - Peak 6480 from nnoeabs.peaks (4.26, 7.66, 106.82 ppm; 3.03 A): 2 out of 8 assignments used, quality = 1.00: * HA2 GLY 50 + H GLY 50 OK 100 100 - 100 - 2.9=100 HA ARG 49 + H GLY 50 OK 69 85 - 81 - 3.6=61, 2.9/6472=15...(15) HA LEU 95 - H GLY 50 OK 13 89 - 15 - 3.0/11579=4, 3.6/7135=3 HB THR 99 - H GLY 50 lone 8 100 - 8 - ~10160=1, 1306/2.9=1 HA SER 138 - H GLY 50 lone 6 100 - 6 - HA ARG 140 - H GLY 50 lone 5 68 - 8 - 3.8/6474=2, 3.0/8191=1 HA ALA 135 - H GLY 50 lone 5 100 - 5 - HA GLU 142 - H GLY 50 lone 3 68 - 5 - 10510/4.4=2 Peak 6481 from nnoeabs.peaks (3.82, 7.66, 106.82 ppm; 3.00 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 50 + H GLY 50 OK 100 100 - 100 - 2.9=100 HA THR 110 - H GLY 50 OK 15 92 - 16 - 3.6/9805=6, 1303/2.9=3...(4) HD2 PRO 118 - H GLY 50 lone 7 92 - 8 - 3.0/8190=2, 1303/2.9=1 HA LEU 66 - H GLY 50 lone 6 100 - 6 - HA GLN 133 - H GLY 50 lone 5 77 - 7 - 4.0/8190=1, 4.0/8190=1 HB2 SER 100 - H GLY 50 lone 2 85 - 2 - Peak 6482 from nnoeabs.peaks (8.01, 7.66, 106.82 ppm; 2.97 A): 2 out of 3 assignments used, quality = 0.72: * H THR 51 + H GLY 50 OK 67 100 - 68 - 6484=41, 6486/2.9=13...(9) H ARG 145 + H GLY 50 OK 13 96 - 13 - 4.3/8191=2, 1304/2.9=2...(6) H ALA 104 - H GLY 50 lone 1 62 - 2 - Peak 6483 from nnoeabs.peaks (8.01, 8.01, 109.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 51 + H THR 51 OK 100 100 - 100 Peak 6484 from nnoeabs.peaks (7.66, 8.01, 109.39 ppm; 2.96 A): 2 out of 3 assignments used, quality = 0.72: * H GLY 50 + H THR 51 OK 67 100 - 68 - 6482=41, 2.9/6486=13...(9) H LEU 97 + H THR 51 OK 15 100 - 15 - 1301/3.6=4, 1305/3.6=3...(5) HD21 ASN 130 - H THR 51 lone 1 72 - 1 - Peak 6485 from nnoeabs.peaks (4.26, 8.01, 109.39 ppm; 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HA2 GLY 50 + H THR 51 OK 100 100 - 100 - 3.6=100 HA ARG 49 + H THR 51 OK 56 85 - 65 - 3.6/6482=23, 2.9/8208=18...(9) HA GLU 142 - H THR 51 poor 7 68 - 11 - 10510=5, 10518/8207=2 HA LEU 95 - H THR 51 lone 7 89 - 8 - 1306/3.6=2, 10463/4.0=1...(4) HA SER 138 - H THR 51 lone 6 100 - 6 - HB THR 99 - H THR 51 lone 5 100 - 5 - 1306/3.6=1 HA ARG 140 - H THR 51 lone 5 68 - 7 - 3.8/8220=2 HA ALA 135 - H THR 51 lone 4 100 - 4 - Peak 6486 from nnoeabs.peaks (3.82, 8.01, 109.39 ppm; 3.50 A): 1 out of 6 assignments used, quality = 0.97: * HA3 GLY 50 + H THR 51 OK 97 100 - 97 - 3.6=94, 2.9/6482=27...(7) HA THR 110 - H THR 51 OK 18 92 - 20 - 3.6/10653=4, 10643/4.8=4...(7) HD2 PRO 118 - H THR 51 poor 10 92 - 10 - 3.0/8217=4, 8213/4.0=1...(5) HA LEU 66 - H THR 51 lone 7 100 - 7 - 8213/4.0=3 HA GLN 133 - H THR 51 lone 7 77 - 9 - 4.0/8217=2, 8213/4.0=2 HB2 SER 100 - H THR 51 lone 2 85 - 3 - Peak 6487 from nnoeabs.peaks (4.72, 8.01, 109.39 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 51 + H THR 51 OK 100 100 - 100 - 2.9=100 HA LEU 116 - H THR 51 OK 17 96 - 18 - 1318/4.0=3, 1314/4.0=3...(9) HA SER 127 - H THR 51 OK 17 100 - 17 - 1314/4.0=3, 1318/4.0=3...(9) Peak 6488 from nnoeabs.peaks (4.36, 8.01, 109.39 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * HB THR 51 + H THR 51 OK 100 100 - 100 - 4.0=100 HA ARG 144 + H THR 51 OK 50 100 - 50 - 3.9/8221=11, 4882=9...(12) HA ASP 65 - H THR 51 OK 16 89 - 18 - 8387/4.0=5, 1311/2.9=4...(5) HA ASN 96 - H THR 51 OK 11 72 - 15 - 3.6/6484=6, 3173/4.4=3 HA3 GLY 77 - H THR 51 lone 9 89 - 9 - 1311/2.9=3, 1319/4.0=2 Peak 6489 from nnoeabs.peaks (0.96, 8.01, 109.39 ppm; 3.14 A): 3 out of 3 assignments used, quality = 0.86: * QG2 THR 51 + H THR 51 OK 77 100 - 77 - 4.0=50, 1318/2.9=21...(11) QD1 LEU 29 + H THR 51 OK 28 100 - 28 - 8070/4.4=5, 8062/4.0=5...(8) HG3 ARG 35 + H THR 51 OK 18 100 - 17 - 1312/2.9=4, 1316/4.0=2...(9) Peak 6490 from nnoeabs.peaks (8.69, 8.69, 121.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 53 + H VAL 53 OK 100 100 - 100 Peak 6491 from nnoeabs.peaks (4.10, 8.69, 121.53 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 52 + H VAL 53 OK 100 100 - 100 - 3.6=100 HD3 PRO 33 - H VAL 53 OK 37 99 - 38 - 1357/3.9=6, 1349/3.9=6...(14) HA THR 99 - H VAL 53 OK 12 98 - 12 - 1349/3.9=4, 1357/3.9=4, 1348=3 HB THR 110 - H VAL 53 lone 8 89 - 9 - 1349/3.9=4, 1357/3.9=4 Peak 6492 from nnoeabs.peaks (2.05, 8.69, 121.53 ppm; 4.38 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 52 + H VAL 53 OK 100 100 - 100 - 3.9=100 HB2 PRO 33 - H VAL 53 OK 27 62 - 44 - 3.0/6491=9, 2.3/6499=7...(17) HG3 PRO 98 - H VAL 53 OK 19 100 - 19 - 1358/3.9=9, 1342/3.6=8 HG2 PRO 98 - H VAL 53 OK 16 89 - 18 - 1358/3.9=8, 1342/3.6=7 HB3 GLN 62 - H VAL 53 poor 9 68 - 13 - 1358/3.9=3, 1342/3.6=3...(5) HA ARG 35 - H VAL 53 lone 4 100 - 4 - ~6175=1 Peak 6493 from nnoeabs.peaks (1.94, 8.69, 121.53 ppm; 5.11 A): 1 out of 10 assignments used, quality = 1.00: * HB3 PRO 52 + H VAL 53 OK 100 100 - 100 - 3.9=100 HB3 LEU 132 - H VAL 53 OK 33 72 - 46 - 3.6/7657=9, 2.9/6498=6...(13) HB2 ARG 89 - H VAL 53 OK 16 99 - 16 - 1351/3.9=3, 4.4/7044=3...(6) HB2 GLN 62 - H VAL 53 OK 14 81 - 17 - 1759/3.9=5, 9846/3.0=3...(5) HB3 PRO 98 - H VAL 53 OK 13 68 - 19 - 3270/3.9=5, 1344/3.6=5...(4) HB3 GLU 122 - H VAL 53 OK 12 99 - 12 - 1352/3.9=5, 1344/3.6=3 HG2 PRO 12 - H VAL 53 poor 10 81 - 12 - 1351/3.9=3, 96/3.9=3...(4) HG3 PRO 12 - H VAL 53 poor 8 68 - 12 - 103/3.9=4, 1351/3.9=3...(4) HB2 ARG 140 - H VAL 53 lone 5 85 - 6 - ~9846=2 HG2 PRO 52 - H VAL 53 lone 5 100 - 5 - Peak 6494 from nnoeabs.peaks (1.94, 8.69, 121.53 ppm; 5.11 A): 1 out of 10 assignments used, quality = 1.00: HB3 PRO 52 + H VAL 53 OK 100 100 - 100 - 3.9=100 HB3 LEU 132 - H VAL 53 OK 31 68 - 46 - 3.6/7657=9, 2.9/6498=6...(12) HB2 ARG 89 - H VAL 53 OK 16 98 - 16 - 1351/3.9=3, 4.4/7044=3...(6) HB3 PRO 98 - H VAL 53 OK 14 72 - 20 - 3270/3.9=6, 1344/3.6=5...(4) HB2 GLN 62 - H VAL 53 OK 12 77 - 16 - 1759/3.9=5, 9846/3.0=3...(5) HB3 GLU 122 - H VAL 53 OK 12 100 - 12 - 1352/3.9=5, 1344/3.6=3 HG2 PRO 12 - H VAL 53 poor 9 77 - 11 - 1351/3.9=3, 1343/3.6=3...(4) HG3 PRO 12 - H VAL 53 poor 7 62 - 12 - 103/3.9=3, 1351/3.9=3...(4) HB2 ARG 140 - H VAL 53 lone 5 81 - 6 - ~9846=2 ! HG2 PRO 52 - H VAL 53 lone 5 100 - 5 - Peak 6498 from nnoeabs.peaks (4.08, 8.69, 121.53 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 53 + H VAL 53 OK 100 100 - 100 - 3.0=100 HA LEU 132 - H VAL 53 OK 30 100 - 30 - 2.8/7657=6, 11616/4.0=5...(11) HD3 PRO 118 - H VAL 53 OK 24 62 - 38 - 3.0/11712=4, 2.3/6499=4...(18) HD3 PRO 33 - H VAL 53 OK 24 68 - 35 - 2.3/6499=5, 2.3/6499=4...(15) HA GLU 90 - H VAL 53 OK 22 100 - 22 - 3.6/7060=2, 2.9/7044=2...(12) HA LYS 34 - H VAL 53 OK 17 96 - 18 - 10581/3.9=7, 1397/4.1=2...(4) HA LEU 26 - H VAL 53 OK 12 89 - 14 - 10865/4.0=3, 1397/4.1=2...(4) Peak 6499 from nnoeabs.peaks (2.10, 8.69, 121.53 ppm; 4.09 A): 2 out of 8 assignments used, quality = 1.00: * HB VAL 53 + H VAL 53 OK 100 100 - 100 - 3.9=100 HG2 PRO 33 + H VAL 53 OK 46 100 - 46 - 2.3/6491=9, 472/3.6=8...(16) HG3 PRO 33 - H VAL 53 OK 38 89 - 43 - 2.3/6491=9, 480/3.6=7...(16) HG2 PRO 118 - H VAL 53 OK 36 81 - 44 - 2.3/11712=6, 2.3/9811=5...(19) HB3 GLN 25 - H VAL 53 OK 22 100 - 22 - 2.9/9811=5, 10587/4.0=5...(5) HB2 GLU 131 - H VAL 53 OK 11 81 - 14 - 4.6/7657=5, 4.0/7643=5...(4) HB3 LYS 36 - H VAL 53 lone 5 94 - 5 - 1383/3.0=1 HB3 GLU 142 - H VAL 53 lone 3 100 - 3 - Peak 6500 from nnoeabs.peaks (0.91, 8.69, 121.53 ppm; 4.65 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 53 + H VAL 53 OK 100 100 - 100 - 4.0=100 QG1 VAL 63 - H VAL 53 OK 34 100 - 34 - 1384/3.0=10, 9872/3.9=9...(6) QD2 LEU 29 - H VAL 53 OK 30 89 - 34 - 1384/3.0=8, ~8060=5...(7) QG2 VAL 80 - H VAL 53 poor 9 77 - 12 - 1384/3.0=2, 1389/3.9=2...(4) HB2 LEU 64 - H VAL 53 lone 4 72 - 5 - 1384/3.0=1 Peak 6501 from nnoeabs.peaks (1.05, 8.69, 121.53 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.95: * QG2 VAL 53 + H VAL 53 OK 90 100 - 90 - 4.1=87, 1397/3.0=16 HG13 ILE 91 + H VAL 53 OK 37 96 - 39 - 1385/3.0=9, 8986/3.9=7...(11) HG3 LYS 114 + H VAL 53 OK 15 100 - 15 - 1385/3.0=5, 1395/4.0=4 Peak 6506 from nnoeabs.peaks (8.66, 8.66, 123.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H ILE 56 OK 100 100 - 100 Peak 6507 from nnoeabs.peaks (4.69, 8.66, 123.65 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + H ILE 56 OK 100 100 - 100 - 3.6=100 Peak 6508 from nnoeabs.peaks (1.77, 8.66, 123.65 ppm; 4.49 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 55 + H ILE 56 OK 100 100 - 100 - 4.4=100 HG2 PRO 57 - H ILE 56 OK 21 89 - 24 - 11009/4.0=13, 8267/5.0=8 HB2 PRO 12 - H ILE 56 OK 11 62 - 18 - ~100=3, ~92=3, ~60=3...(6) HG LEU 39 - H ILE 56 OK 11 100 - 11 - 1402/3.6=4, 11009/4.0=2 HB3 MET 59 - H ILE 56 lone 10 100 - 10 - 11009/4.0=4, 1402/3.6=2 HG LEU 72 - H ILE 56 poor 9 85 - 10 - 11009/4.0=2, 1402/3.6=2...(5) HB3 ARG 35 - H ILE 56 lone 3 94 - 3 - Peak 6514 from nnoeabs.peaks (1.95, 8.66, 123.65 ppm; 4.64 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 56 + H ILE 56 OK 100 100 - 100 - 4.0=100 HB3 MET 11 - H ILE 56 OK 21 94 - 23 - 1459/4.0=5, 29/4.0=4...(7) HB3 PRO 98 - H ILE 56 OK 16 99 - 17 - 1459/4.0=5, 1480/5.0=3...(5) HB2 LYS 61 - H ILE 56 OK 15 100 - 15 - 8331/5.0=6, 1459/4.0=2...(6) HB2 LYS 34 - H ILE 56 OK 13 92 - 14 - 1459/4.0=3, 9822/4.7=3...(5) HB3 GLU 122 - H ILE 56 lone 5 68 - 7 - 9822/4.7=1, 9822/4.7=1 Peak 6515 from nnoeabs.peaks (0.86, 8.66, 123.65 ppm; 5.17 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + H ILE 56 OK 100 100 - 100 - 4.0=100 QD1 LEU 64 - H ILE 56 OK 42 96 - 44 - 1453/4.0=12, 1481/5.0=11...(8) QD1 LEU 97 - H ILE 56 OK 15 62 - 24 - 9129/4.0=5, 1446/3.0=5...(6) QG2 ILE 83 - H ILE 56 OK 12 85 - 14 - 1453/4.0=2, 1481/5.0=2...(5) HB3 LEU 42 - H ILE 56 OK 11 100 - 11 - 1453/4.0=3, 1446/3.0=3...(5) Peak 6516 from nnoeabs.peaks (1.20, 8.66, 123.65 ppm; 4.81 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 56 + H ILE 56 OK 99 100 - 99 - 4.8=98, 2.1/1478=34...(7) HG13 ILE 56 + H ILE 56 OK 99 100 - 99 - 4.8=98, 2.1/1478=34...(7) HB3 LEU 108 - H ILE 56 OK 24 62 - 39 - 3.2/10552=19...(6) Peak 6517 from nnoeabs.peaks (1.20, 8.66, 123.65 ppm; 4.81 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 56 OK 99 100 - 99 - 4.8=98, 2.1/1478=34...(7) HG12 ILE 56 + H ILE 56 OK 99 100 - 99 - 4.8=98, 2.1/1478=34...(7) HB3 LEU 108 - H ILE 56 OK 26 68 - 39 - 3.2/10552=19...(6) Peak 6518 from nnoeabs.peaks (0.60, 8.66, 123.65 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 56 + H ILE 56 OK 100 100 - 100 - 5.0=100 QD1 LEU 132 + H ILE 56 OK 45 85 - 53 - 1449/3.0=13, 1456/4.0=13...(11) QG1 VAL 71 - H ILE 56 poor 9 62 - 14 - 1456/4.0=3, 1449/3.0=3...(5) Peak 6519 from nnoeabs.peaks (8.03, 8.03, 120.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ILE 58 + H ILE 58 OK 100 100 - 100 H ARG 144 + H ARG 144 OK 87 87 - 100 Peak 6520 from nnoeabs.peaks (4.41, 8.03, 120.66 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 57 + H ILE 58 OK 100 100 - 100 - 3.6=100 HA PRO 33 - H ILE 58 OK 16 100 - 16 - 1513/3.9=8, 1521/3.9=8 HA PRO 57 - H ARG 144 lone 6 90 - 7 - 1512=3, 10594/6532=1 HA ASP 40 - H ILE 58 lone 5 62 - 7 - 1521/3.9=1, 1513/3.9=1, ~6283=1 HA PRO 33 - H ARG 144 lone 1 90 - 1 - HA ASP 40 - H ARG 144 lone 0 51 - 1 - Peak 6521 from nnoeabs.peaks (1.65, 8.03, 120.66 ppm; 4.15 A): 1 out of 16 assignments used, quality = 1.00: * HB2 PRO 57 + H ILE 58 OK 100 100 - 100 - 3.9=100 HG13 ILE 136 - H ILE 58 OK 16 99 - 16 - 1522/3.9=6, 1506/3.6=6...(4) HB2 LYS 114 - H ILE 58 lone 9 100 - 9 - 1522/3.9=4, 1506/3.6=4 HD3 LYS 93 - H ILE 58 lone 8 100 - 8 - 1522/3.9=3, 1506/3.6=3 HB3 LEU 26 - H ILE 58 poor 8 68 - 12 - 3.0/6528=2, 1522/3.9=2...(5) HG2 ARG 140 - H ILE 58 lone 5 98 - 5 - HG2 ARG 140 - H ARG 144 lone 4 86 - 5 - HB2 PRO 57 - H ARG 144 lone 4 90 - 4 - 2.3/1512=2, 1520=1 HG2 ARG 124 - H ILE 58 lone 3 72 - 4 - 1522/3.9=2, 1506/3.6=2 HB2 MET 68 - H ILE 58 lone 2 77 - 3 - HB2 LYS 114 - H ARG 144 lone 2 90 - 2 - ~10384=1 HB3 LEU 26 - H ARG 144 lone 2 55 - 4 - HD3 LYS 93 - H ARG 144 lone 2 90 - 2 - HG13 ILE 136 - H ARG 144 lone 2 87 - 2 - HG2 ARG 124 - H ARG 144 lone 1 59 - 1 - HB2 MET 68 - H ARG 144 lone 1 64 - 1 - Peak 6527 from nnoeabs.peaks (4.43, 8.03, 120.66 ppm; 4.60 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 58 + H ILE 58 OK 100 100 - 100 - 3.0=100 HA ASN 84 + H ILE 58 OK 46 100 - 46 - 1554/3.9=10, 1562/4.0=8...(11) HA ILE 58 - H ARG 144 OK 31 90 - 34 - 3.0/1553=7, 3.2/1561=6...(9) HA ASP 40 - H ILE 58 OK 20 92 - 22 - 1554/3.9=4, 1562/4.0=3...(11) HA ASN 84 - H ARG 144 lone 4 90 - 4 - HA ASP 40 - H ARG 144 lone 1 78 - 2 - Peak 6528 from nnoeabs.peaks (1.70, 8.03, 120.66 ppm; 3.43 A): 5 out of 10 assignments used, quality = 0.92: * HB ILE 58 + H ILE 58 OK 85 100 - 85 - 3.9=66, 1559/4.9=15...(10) HB ILE 58 + H ARG 144 OK 22 90 - 24 - 1553=6, 2.1/1561=4...(8) HB2 LYS 85 + H ILE 58 OK 17 100 - 17 - 1547/3.0=4, 1563/4.0=4...(6) HD2 LYS 86 + H ILE 58 OK 12 100 - 12 - 2728/3.9=4, 1547/3.0=2...(4) HG LEU 26 + H ILE 58 OK 11 77 - 14 - 1563/4.0=4, 1547/3.0=3...(7) HB3 LEU 95 - H ILE 58 lone 7 100 - 7 - 1547/3.0=2, 1563/4.0=1 HB2 LYS 85 - H ARG 144 lone 6 90 - 7 - 2584/4.0=1 HD2 LYS 86 - H ARG 144 lone 4 90 - 4 - 2726/3.5=1, 2726/3.5=1 HG LEU 26 - H ARG 144 lone 2 64 - 4 - HB3 LEU 95 - H ARG 144 lone 1 89 - 1 - Peak 6529 from nnoeabs.peaks (0.58, 8.03, 120.66 ppm; 5.69 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 58 + H ILE 58 OK 100 100 - 100 - 4.0=100 QD1 LEU 132 + H ILE 58 OK 64 89 - 72 - 10412=15, 2.1/4509=12...(15) QG2 ILE 58 - H ARG 144 OK 42 90 - 47 - 2.1/1553=10, 1561=9...(10) QG1 VAL 71 - H ILE 58 OK 41 99 - 41 - 8513/3.9=13, 2090/3.9=6...(8) QD1 LEU 66 - H ILE 58 OK 32 100 - 32 - 1548/3.0=5, 1556/3.9=5...(13) QD1 LEU 132 - H ARG 144 OK 16 75 - 20 - 10412=4, 2.1/4509=3...(7) QG1 VAL 71 - H ARG 144 poor 9 87 - 11 - 9906/4.6=4, 8510/3.5=2 QD1 LEU 66 - H ARG 144 lone 7 89 - 8 - 1910/4.0=1 Peak 6530 from nnoeabs.peaks (1.28, 8.03, 120.66 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 58 + H ILE 58 OK 100 100 - 100 - 4.5=100 HG13 ILE 58 + H ILE 58 OK 98 98 - 100 - 4.5=100 HG12 ILE 58 - H ARG 144 OK 41 90 - 45 - 2.1/6532=13, 2.9/1553=10...(8) HG13 ILE 58 - H ARG 144 OK 39 86 - 45 - 2.1/6532=13, 2.9/1553=10...(8) QB ALA 104 - H ILE 58 OK 24 99 - 24 - 6539/4.7=6, 1549/3.0=5...(7) QB ALA 104 - H ARG 144 OK 13 87 - 14 - 9201/4.9=3, 3407/4.6=2...(6) Peak 6531 from nnoeabs.peaks (1.29, 8.03, 120.66 ppm; 6.80 A): 2 out of 12 assignments used, quality = 1.00: * HG13 ILE 58 + H ILE 58 OK 100 100 - 100 - 4.5=100 HG12 ILE 58 + H ILE 58 OK 98 98 - 100 - 4.5=100 HG LEU 87 - H ILE 58 OK 41 81 - 50 - 11003/4.9=21, 1558/3.9=7...(11) HG13 ILE 58 - H ARG 144 OK 41 90 - 45 - 2.1/6532=13, 2.9/1553=10...(8) HG12 ILE 58 - H ARG 144 OK 39 86 - 45 - 2.1/6532=13, 2.9/1553=10...(8) HG12 ILE 83 - H ILE 58 OK 31 62 - 49 - ~10037=12, ~10016=12...(9) QB ALA 104 - H ILE 58 OK 20 89 - 23 - 6539/4.7=6, 1549/3.0=5...(6) HG3 LYS 24 - H ILE 58 OK 12 68 - 18 - 10895/3.9=13 QB ALA 104 - H ARG 144 poor 10 75 - 13 - 9201/4.9=2, 3407/4.6=2...(5) HG LEU 87 - H ARG 144 poor 8 68 - 12 - 11003/6532=2, 2795/4.9=1 HG12 ILE 83 - H ARG 144 lone 2 51 - 5 - HG3 LYS 24 - H ARG 144 lone 2 55 - 3 - Peak 6532 from nnoeabs.peaks (0.56, 8.03, 120.66 ppm; 5.90 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 58 + H ILE 58 OK 100 100 - 100 - 4.9=100 QD1 ILE 58 - H ARG 144 OK 39 90 - 43 - 1585=10, 3.2/1553=9...(9) Peak 6534 from nnoeabs.peaks (8.97, 8.97, 125.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 59 + H MET 59 OK 100 100 - 100 Peak 6536 from nnoeabs.peaks (4.43, 8.97, 125.89 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.96: * HA ILE 58 + H MET 59 OK 96 100 - 96 - 3.6=92, 3.2/1568=22...(9) HA ASN 84 - H MET 59 OK 17 100 - 17 - 1554/4.4=5, 1562/4.3=4...(5) HA ASP 40 - H MET 59 lone 7 92 - 7 - 1554/4.4=2, 1562/4.3=2...(4) Peak 6537 from nnoeabs.peaks (1.70, 8.97, 125.89 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 58 + H MET 59 OK 100 100 - 100 - 4.4=100 HB2 LYS 85 - H MET 59 OK 24 100 - 24 - 1547/3.6=7, 1563/4.3=6...(6) HD2 LYS 86 - H MET 59 OK 16 100 - 16 - 1547/3.6=3, 1563/4.3=2...(7) HG LEU 26 - H MET 59 OK 13 77 - 17 - 1563/4.3=5, 1547/3.6=5...(4) HB3 LEU 95 - H MET 59 lone 10 100 - 9 - 1547/3.6=2, 1563/4.3=2...(4) Peak 6538 from nnoeabs.peaks (0.58, 8.97, 125.89 ppm; 3.57 A): 4 out of 4 assignments used, quality = 0.92: * QG2 ILE 58 + H MET 59 OK 86 100 - 86 - 4.3=59, 3.2/1552=23...(13) QD1 LEU 132 + H MET 59 OK 22 89 - 24 - 4.1/8296=5, 1548/3.6=4...(7) QG1 VAL 71 + H MET 59 OK 17 99 - 17 - 1548/3.6=3, 8302/3.0=2...(8) QD1 LEU 66 + H MET 59 OK 12 100 - 12 - 1548/3.6=3, 1556/4.4=2...(5) Peak 6539 from nnoeabs.peaks (1.28, 8.97, 125.89 ppm; 6.05 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 58 + H MET 59 OK 95 100 - 95 - 2.1/6541=50, 3.2/1568=42...(14) HG13 ILE 58 + H MET 59 OK 93 98 - 95 - 2.1/6541=50, 3.2/1568=42...(13) QB ALA 104 - H MET 59 OK 40 99 - 40 - 9200/6.2=10, 9202/4.7=6...(12) Peak 6540 from nnoeabs.peaks (1.29, 8.97, 125.89 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + H MET 59 OK 96 100 - 96 - 2.1/6541=50, 4.1/1552=42...(14) HG12 ILE 58 + H MET 59 OK 94 98 - 96 - 2.1/6541=50, 4.1/1552=42...(13) HG12 ILE 83 - H MET 59 OK 37 62 - 60 - 10566/6.2=16, ~8301=15...(12) QB ALA 104 - H MET 59 OK 36 89 - 41 - 9200/6.2=10, 9202/4.7=6...(12) HG LEU 87 - H MET 59 OK 33 81 - 41 - 11003/6541=10...(9) HG3 LYS 24 - H MET 59 poor 8 68 - 12 - 10566/6.2=3, 9819/8296=1 Peak 6541 from nnoeabs.peaks (0.56, 8.97, 125.89 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.80: * QD1 ILE 58 + H MET 59 OK 80 100 - 80 - 1592=27, 1551/3.6=25...(16) Peak 6542 from nnoeabs.peaks (4.56, 8.97, 125.89 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 59 + H MET 59 OK 100 100 - 100 - 3.0=100 HA LEU 97 - H MET 59 OK 44 92 - 48 - 1610/3.9=7, 1602/3.9=7...(14) HA ASN 130 - H MET 59 OK 17 81 - 21 - 1602/3.9=3, 1610/3.9=3...(11) HA PRO 98 - H MET 59 OK 16 72 - 22 - 8293/4.3=6, 6551/4.5=5...(9) HA GLU 28 - H MET 59 lone 4 72 - 6 - 8293/4.3=2 Peak 6543 from nnoeabs.peaks (1.92, 8.97, 125.89 ppm; 4.64 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 59 + H MET 59 OK 100 100 - 100 - 3.9=100 HG13 ILE 83 - H MET 59 OK 40 98 - 41 - 8273/4.3=10, 1595/3.0=7...(9) HB3 LEU 132 - H MET 59 OK 35 98 - 36 - 3.6/8296=10, 8273/4.3=7...(8) HB2 GLN 62 - H MET 59 OK 26 94 - 28 - 4.0/8296=15, 8347/4.3=6...(5) HB ILE 136 - H MET 59 OK 18 94 - 19 - 2.1/8297=3, 1595/3.0=3...(7) HB2 LYS 86 - H MET 59 OK 15 100 - 15 - 3.5/6537=3, 2687/4.4=3...(5) HG2 PRO 12 - H MET 59 OK 11 94 - 12 - 1595/3.0=2, 1611/3.9=2...(4) HG3 PRO 12 - H MET 59 lone 10 99 - 10 - 1595/3.0=2, 1611/3.9=2, ~1595=1 HB3 LEU 69 - H MET 59 poor 8 68 - 11 - 11377/11022=3...(4) HB2 PRO 118 - H MET 59 lone 7 100 - 7 - 1595/3.0=1 QE MET 68 - H MET 59 lone 7 77 - 9 - 8425/4.3=1, 8425/6538=1...(4) HB2 ARG 140 - H MET 59 lone 5 92 - 5 - HB2 ARG 89 - H MET 59 lone 3 68 - 5 - Peak 6544 from nnoeabs.peaks (1.78, 8.97, 125.89 ppm; 4.60 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 59 + H MET 59 OK 100 100 - 100 - 3.9=100 HG LEU 72 - H MET 59 OK 17 94 - 18 - 1596/3.0=5, 1604/3.9=5...(5) HG2 PRO 57 - H MET 59 OK 16 96 - 16 - 1596/3.0=3, 10592/4.3=3...(7) HG LEU 39 - H MET 59 lone 10 98 - 10 - 1596/3.0=3, 1604/3.9=2 HB3 ARG 55 - H MET 59 lone 8 100 - 8 - 1596/3.0=2, 1604/3.9=1 HB3 ARG 35 - H MET 59 lone 5 85 - 5 - 1596/3.0=1, 1604/3.9=1 HD3 LYS 34 - H MET 59 lone 4 62 - 7 - 10523/4.7=1, 1604/3.9=1 HD2 LYS 34 - H MET 59 lone 4 62 - 6 - 1604/3.9=1 HB3 ARG 145 - H MET 59 lone 1 68 - 2 - Peak 6547 from nnoeabs.peaks (1.99, 8.97, 125.89 ppm; 6.80 A): 2 out of 10 assignments used, quality = 1.00: * QE MET 59 + H MET 59 OK 100 100 - 100 - 6.2=100 HB VAL 63 + H MET 59 OK 88 100 - 88 - 8349/4.3=44...(10) QE MET 113 - H MET 59 OK 34 100 - 35 - 10251/11695=13...(10) HB2 GLN 111 - H MET 59 OK 28 92 - 31 - 11592/11022=11...(10) HB3 GLU 75 - H MET 59 OK 24 72 - 33 - 9850/6541=14...(8) QE MET 11 - H MET 59 OK 17 72 - 24 - 1599/3.0=3, 3.3/10562=3...(10) HB2 GLU 142 - H MET 59 OK 13 98 - 13 - 9850/6541=2...(5) HG3 PRO 52 - H MET 59 OK 11 77 - 15 - 11592/11022=3...(7) HB3 ARG 124 - H MET 59 poor 10 62 - 15 - 9495/11022=4...(4) HG3 GLU 122 - H MET 59 lone 4 62 - 6 - Peak 6549 from nnoeabs.peaks (9.31, 9.31, 129.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 60 + H ALA 60 OK 100 100 - 100 Peak 6551 from nnoeabs.peaks (4.56, 9.31, 129.85 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 59 + H ALA 60 OK 100 100 - 100 - 3.6=100 HA LEU 97 - H ALA 60 OK 40 92 - 43 - 8311/2.9=10, 1610/4.1=6...(13) HA PRO 98 - H ALA 60 OK 40 72 - 55 - 8311/2.9=15, ~8328=11...(14) HA ASN 130 - H ALA 60 lone 8 81 - 10 - 1602/4.1=2, 1610/4.1=2 HA GLU 28 - H ALA 60 lone 4 72 - 6 - 8311/2.9=2 Peak 6554 from nnoeabs.peaks (2.38, 9.31, 129.85 ppm; 6.44 A): 3 out of 7 assignments used, quality = 1.00: * HG2 MET 59 + H ALA 60 OK 100 100 - 100 - 4.6=100 HG3 MET 59 + H ALA 60 OK 99 99 - 100 - 4.6=100 HG3 GLU 37 + H ALA 60 OK 50 100 - 50 - 8328/2.9=27, ~8327=14...(7) HG2 GLN 25 - H ALA 60 OK 40 99 - 40 - 8328/2.9=8, 1597/3.6=6...(10) HG3 MET 11 - H ALA 60 OK 31 92 - 34 - 8328/2.9=12, ~10591=7...(8) HB ILE 91 - H ALA 60 OK 23 99 - 23 - 1606/4.1=7, 1614/4.1=7...(5) HG2 MET 46 - H ALA 60 OK 12 98 - 12 - 1613/4.1=3, 1605/4.1=3...(4) Peak 6555 from nnoeabs.peaks (2.39, 9.31, 129.85 ppm; 6.44 A): 3 out of 8 assignments used, quality = 1.00: * HG3 MET 59 + H ALA 60 OK 100 100 - 100 - 4.6=100 HG2 MET 59 + H ALA 60 OK 99 99 - 100 - 4.6=100 HG3 GLU 37 + H ALA 60 OK 47 99 - 48 - 8328/2.9=25, ~8327=14...(7) HG2 GLN 25 - H ALA 60 OK 41 100 - 41 - 8328/2.9=9, 1597/3.6=5...(10) HG3 MET 11 - H ALA 60 OK 26 77 - 33 - 8328/2.9=12, ~10591=7...(8) HB ILE 91 - H ALA 60 OK 23 100 - 23 - 1606/4.1=7, 1614/4.1=7...(5) HG3 GLN 25 - H ALA 60 OK 18 68 - 26 - ~8328=9, 1613/4.1=4...(6) HG2 MET 46 - H ALA 60 OK 12 100 - 12 - 1613/4.1=3, 1605/4.1=3...(4) Peak 6557 from nnoeabs.peaks (3.96, 9.31, 129.85 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 60 + H ALA 60 OK 100 100 - 100 - 2.8=100 HA3 GLY 94 - H ALA 60 OK 32 100 - 32 - ~8310=13, ~8312=6...(7) HD3 PRO 129 - H ALA 60 poor 8 68 - 12 - ~9852=2, 6562/4.6=2, 1646/2.9=2 HA LYS 48 - H ALA 60 lone 5 100 - 5 - 1646/2.9=2 HA PHE 106 - H ALA 60 lone 4 100 - 4 - 6562/4.6=1, 1646/2.9=1 HB3 SER 103 - H ALA 60 lone 2 96 - 2 - HA LEU 29 - H ALA 60 lone 1 62 - 2 - Peak 6558 from nnoeabs.peaks (1.34, 9.31, 129.85 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 60 + H ALA 60 OK 100 100 - 100 - 2.9=100 HB3 ARG 49 - H ALA 60 OK 25 98 - 26 - 1643/2.8=6, 10576/4.6=3...(10) HD3 LYS 76 - H ALA 60 OK 11 94 - 12 - 1643/2.8=2, 10576/4.6=2...(6) Peak 6559 from nnoeabs.peaks (8.42, 9.31, 129.85 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 61 + H ALA 60 OK 100 100 - 100 - 4.6=100 H GLU 75 - H ALA 60 poor 8 72 - 11 - 1648/2.9=3, 8295/10583=3...(4) Peak 6560 from nnoeabs.peaks (8.42, 8.42, 109.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + H LYS 61 OK 100 100 - 100 Peak 6561 from nnoeabs.peaks (9.31, 8.42, 109.22 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 60 + H LYS 61 OK 100 100 - 100 - 4.6=100 Peak 6562 from nnoeabs.peaks (3.96, 8.42, 109.22 ppm; 3.60 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 60 + H LYS 61 OK 100 100 - 100 - 3.6=100 HD3 PRO 129 - H LYS 61 OK 13 68 - 19 - 3.0/6566=3, 8334/4.9=2...(11) HA3 GLY 94 - H LYS 61 OK 10 100 - 10 - 1646/3.7=4, 6557/4.6=3 HA PHE 106 - H LYS 61 lone 8 100 - 8 - 8333/3.0=3, 8334/4.9=1 HA LYS 48 - H LYS 61 lone 6 100 - 6 - 1646/3.7=1, 8333/3.0=1 HB3 SER 103 - H LYS 61 lone 2 96 - 2 - HA LEU 29 - H LYS 61 lone 1 62 - 1 - Peak 6563 from nnoeabs.peaks (1.34, 8.42, 109.22 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.90: * QB ALA 60 + H LYS 61 OK 89 100 - 89 - 3.7=71, 2.1/1644=28...(12) HB3 ARG 49 + H LYS 61 OK 14 98 - 14 - 10527/3.0=4, 1643/3.6=3...(6) HD3 LYS 76 - H LYS 61 lone 5 94 - 6 - 1643/3.6=1, 6558/4.6=1 Peak 6564 from nnoeabs.peaks (3.62, 8.42, 109.22 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 61 + H LYS 61 OK 100 100 - 100 - 3.0=100 HA ARG 109 - H LYS 61 OK 25 96 - 26 - 1661/3.8=5, 1672/3.8=4...(13) Peak 6565 from nnoeabs.peaks (1.96, 8.42, 109.22 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 61 + H LYS 61 OK 100 100 - 100 - 3.8=100 HB3 PRO 98 - H LYS 61 OK 42 96 - 44 - 8326/3.7=9, 1651/3.0=7...(12) HB3 MET 11 - H LYS 61 OK 19 98 - 19 - 1651/3.0=5, 6577/3.3=5...(5) HB ILE 56 - H LYS 61 OK 16 100 - 16 - 1651/3.0=3, 1673/3.8=2...(4) HB2 LYS 34 - H LYS 61 OK 13 96 - 14 - 1651/3.0=4, 1673/3.8=3...(5) Peak 6566 from nnoeabs.peaks (2.07, 8.42, 109.22 ppm; 3.99 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 61 + H LYS 61 OK 100 100 - 100 - 3.8=100 HB3 GLN 62 + H LYS 61 OK 48 98 - 49 - ~1756=10, 6578/3.3=9...(13) HB2 PRO 129 - H LYS 61 OK 26 100 - 27 - 1652/3.0=5, 6578/3.3=4...(9) HB2 GLU 131 - H LYS 61 OK 18 72 - 25 - 4.6/6573=5, 1672/3.0=4...(11) HD2 ARG 49 - H LYS 61 OK 16 100 - 16 - 1286/3.7=4, 3.7/6563=4...(5) HG2 GLU 122 - H LYS 61 OK 13 99 - 13 - 1652/3.0=3, 1663/3.8=3...(4) HB2 LEU 26 - H LYS 61 OK 12 100 - 12 - 1652/3.0=3, 1663/3.8=2...(4) HG2 PRO 118 - H LYS 61 poor 8 72 - 12 - ~11702=8, 1652/3.0=1 HG3 PRO 33 - H LYS 61 lone 4 62 - 7 - 1652/3.0=1, 1663/3.8=1 Peak 6567 from nnoeabs.peaks (1.26, 8.42, 109.22 ppm; 3.39 A): 2 out of 6 assignments used, quality = 0.97: * HG2 LYS 61 + H LYS 61 OK 85 100 - 85 - 4.9=34, 1.8/1693=16...(32) HG3 LYS 61 + H LYS 61 OK 81 96 - 85 - 4.9=34, 1.8/1682=16...(32) HB2 LEU 132 - H LYS 61 OK 36 99 - 36 - 4478/3.3=5, 3.6/6573=4...(16) HB3 LEU 97 - H LYS 61 OK 30 92 - 32 - 11426/3.0=5, 3.0/8314=5...(11) QG2 THR 99 - H LYS 61 OK 12 96 - 13 - 4.0/6573=2, 10150/3.3=2 QG2 THR 102 - H LYS 61 lone 3 100 - 3 - Peak 6568 from nnoeabs.peaks (1.26, 8.42, 109.22 ppm; 3.41 A): 2 out of 6 assignments used, quality = 0.97: * HG3 LYS 61 + H LYS 61 OK 85 100 - 85 - 4.9=34, 1.8/1682=17...(33) HG2 LYS 61 + H LYS 61 OK 82 96 - 85 - 4.9=34, 1.8/1693=16...(32) HB2 LEU 132 - H LYS 61 OK 37 100 - 37 - 4478/3.3=5, 3.6/6573=5...(16) HB3 LEU 97 - H LYS 61 OK 34 100 - 34 - 11426/3.0=6, 3.0/8314=5...(13) QG2 THR 99 - H LYS 61 OK 14 100 - 14 - 10150/3.3=2, 4.0/6573=2...(4) QG2 THR 102 - H LYS 61 lone 3 89 - 3 - Peak 6569 from nnoeabs.peaks (1.59, 8.42, 109.22 ppm; 4.49 A): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 61 + H LYS 61 OK 96 100 - 96 - 6.2=38, 3.0/1682=20...(33) HD3 LYS 61 + H LYS 61 OK 96 100 - 96 - 6.2=38, 3.0/1682=20...(33) HB2 LEU 97 + H LYS 61 OK 47 77 - 61 - ~11426=9, 3.0/8314=9...(18) HG3 ARG 109 - H LYS 61 OK 28 62 - 44 - 3.9/6564=7, ~3541=6...(16) HB2 LEU 79 - H LYS 61 OK 16 100 - 16 - ~8728=4, ~8728=2...(6) HG3 LYS 48 - H LYS 61 lone 9 92 - 9 - 8325/3.7=2, 1184/3.6=2 HG3 LYS 36 - H LYS 61 lone 6 100 - 6 - 701/11351=1 HG2 ARG 144 - H LYS 61 lone 4 89 - 5 - 9824/8295=1 HG2 ARG 141 - H LYS 61 lone 3 72 - 4 - HG LEU 108 - H LYS 61 lone 3 68 - 4 - Peak 6570 from nnoeabs.peaks (1.59, 8.42, 109.22 ppm; 4.49 A): 3 out of 10 assignments used, quality = 1.00: HD2 LYS 61 + H LYS 61 OK 96 100 - 96 - 6.2=38, 3.0/1682=20...(33) * HD3 LYS 61 + H LYS 61 OK 96 100 - 96 - 6.2=38, 3.0/1682=20...(33) HB2 LEU 97 + H LYS 61 OK 47 77 - 61 - ~11426=9, 3.0/8314=9...(18) HG3 ARG 109 - H LYS 61 OK 28 62 - 44 - 3.9/6564=7, ~3541=6...(16) HB2 LEU 79 - H LYS 61 OK 16 100 - 16 - ~8728=4, ~8728=2...(6) HG3 LYS 48 - H LYS 61 lone 9 92 - 9 - 8325/3.7=2, 1184/3.6=2 HG3 LYS 36 - H LYS 61 lone 6 100 - 6 - 701/11351=1 HG2 ARG 144 - H LYS 61 lone 4 89 - 5 - 9824/8295=1 HG2 ARG 141 - H LYS 61 lone 3 72 - 4 - HG LEU 108 - H LYS 61 lone 3 68 - 4 - Peak 6573 from nnoeabs.peaks (7.73, 8.42, 109.22 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 62 + H LYS 61 OK 100 100 - 100 - 3.3=100 H LEU 132 - H LYS 61 OK 36 100 - 36 - 1659/3.0=6, 1681/3.8=5...(12) H SER 100 - H LYS 61 OK 18 100 - 18 - 1659/3.0=3, 1681/3.8=2...(9) HD21 ASN 128 - H LYS 61 lone 7 85 - 8 - 1659/3.0=1, 1681/3.8=1 Peak 6574 from nnoeabs.peaks (7.73, 7.73, 119.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 62 + H GLN 62 OK 100 100 - 100 Peak 6575 from nnoeabs.peaks (8.42, 7.73, 119.01 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 61 + H GLN 62 OK 100 100 - 100 - 3.3=100 H GLU 75 - H GLN 62 poor 9 72 - 12 - 1649/3.5=2, 1671/4.6=2...(5) Peak 6576 from nnoeabs.peaks (3.62, 7.73, 119.01 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 61 + H GLN 62 OK 100 100 - 100 - 3.5=100 HA ARG 109 - H GLN 62 OK 24 96 - 25 - 1661/4.6=8, 6564/3.3=8...(4) Peak 6577 from nnoeabs.peaks (1.96, 7.73, 119.01 ppm; 4.03 A): 5 out of 5 assignments used, quality = 0.93: * HB2 LYS 61 + H GLN 62 OK 82 100 - 82 - 4.6=66, 1.8/1681=16...(12) HB3 PRO 98 + H GLN 62 OK 33 96 - 34 - 1.8/10145=9, 6565/3.3=6...(10) HB3 MET 11 + H GLN 62 OK 29 98 - 29 - 24/2.9=7, ~18=6...(8) HB2 LYS 34 + H GLN 62 OK 12 96 - 13 - 1651/3.5=3, 10519/2.9=3...(4) HB ILE 56 + H GLN 62 OK 11 100 - 11 - 1651/3.5=2, 6565/3.3=2 Peak 6578 from nnoeabs.peaks (2.07, 7.73, 119.01 ppm; 3.94 A): 3 out of 9 assignments used, quality = 1.00: HB3 GLN 62 + H GLN 62 OK 95 98 - 97 - 4.0=94, 1.8/1756=21...(12) * HB3 LYS 61 + H GLN 62 OK 82 100 - 82 - 4.6=62, 1.8/6577=18...(11) HB2 PRO 129 + H GLN 62 OK 47 100 - 47 - 4375/2.9=8, 1759/4.0=5...(18) HB2 GLU 131 - H GLN 62 OK 22 72 - 30 - 1.8/4453=4, 4446=4...(9) HB2 LEU 26 - H GLN 62 OK 11 100 - 11 - 1652/3.5=2, 1663/4.6=2...(5) HG2 GLU 122 - H GLN 62 OK 11 99 - 11 - 1652/3.5=3, 1663/4.6=2 HD2 ARG 49 - H GLN 62 OK 11 100 - 10 - 1652/3.5=2, 6566/3.3=2 HG3 PRO 33 - H GLN 62 lone 5 62 - 9 - ~10525=1, 1652/3.5=1...(4) HG2 PRO 118 - H GLN 62 lone 4 72 - 6 - 1652/3.5=1 Peak 6579 from nnoeabs.peaks (1.26, 7.73, 119.01 ppm; 4.84 A): 3 out of 6 assignments used, quality = 0.99: * HG2 LYS 61 + H GLN 62 OK 83 100 - 83 - 1682/3.3=20, 3.0/6577=20...(16) HG3 LYS 61 + H GLN 62 OK 79 96 - 82 - 3.0/6577=20, 1693/3.3=19...(17) HB2 LEU 132 + H GLN 62 OK 66 99 - 67 - 3.2/8337=12, 4478=12...(16) HB3 LEU 97 - H GLN 62 OK 37 92 - 41 - 11426/3.5=12, 1665/4.6=6...(8) QG2 THR 99 - H GLN 62 OK 23 96 - 24 - 10150=5, 2.1/10149=3...(9) QG2 THR 102 - H GLN 62 lone 4 100 - 4 - Peak 6580 from nnoeabs.peaks (1.26, 7.73, 119.01 ppm; 5.16 A): 4 out of 6 assignments used, quality = 1.00: * HG3 LYS 61 + H GLN 62 OK 86 100 - 86 - 1693/3.3=21, 3.0/6577=21...(17) HG2 LYS 61 + H GLN 62 OK 82 96 - 85 - 3.0/6577=21, 1682/3.3=21...(17) HB2 LEU 132 + H GLN 62 OK 69 100 - 70 - 3.2/8337=13, 1.8/4486=12...(16) HB3 LEU 97 + H GLN 62 OK 47 100 - 47 - 11426/3.5=15, 1665/4.6=7...(8) QG2 THR 99 - H GLN 62 OK 27 100 - 26 - 10150=5, 2.1/10149=3...(9) QG2 THR 102 - H GLN 62 lone 3 89 - 4 - Peak 6585 from nnoeabs.peaks (4.66, 7.73, 119.01 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 62 + H GLN 62 OK 100 100 - 100 - 2.9=100 HA ASN 139 - H GLN 62 OK 34 81 - 42 - 3.0/11398=29, 1757/4.0=4...(9) HA MET 11 - H GLN 62 OK 31 100 - 31 - 3.0/6577=6, ~18=5...(11) Peak 6586 from nnoeabs.peaks (1.93, 7.73, 119.01 ppm; 3.74 A): 2 out of 14 assignments used, quality = 0.95: * HB2 GLN 62 + H GLN 62 OK 89 100 - 89 - 4.0=80, 1.8/6587=11...(10) HB3 LEU 132 + H GLN 62 OK 51 100 - 51 - 4486=11, 3.2/8337=8...(14) HG2 PRO 12 - H GLN 62 OK 21 100 - 21 - 8019/2.9=4, ~50=3, ~48=3...(7) HB2 MET 59 - H GLN 62 OK 20 94 - 22 - 3.9/8296=7, 4.8/8315=7...(4) HG3 PRO 12 - H GLN 62 OK 20 100 - 20 - 8019/2.9=4, ~50=3, ~48=3...(6) HB3 PRO 52 - H GLN 62 OK 15 81 - 19 - ~1751=3, 1766/4.0=3...(7) HG2 PRO 52 - H GLN 62 OK 13 77 - 16 - ~1751=3, 1766/4.0=2...(7) HB2 ARG 140 - H GLN 62 lone 8 100 - 8 - 1750/2.9=1, 1766/4.0=1 HB ILE 136 - H GLN 62 poor 8 68 - 12 - 4.6/10478=2, 2.5/9663=1 HB2 PRO 118 - H GLN 62 lone 8 98 - 8 - HG13 ILE 83 - H GLN 62 lone 7 77 - 9 - 8273/8337=2, 1.8/9819=1 HB2 ARG 89 - H GLN 62 lone 6 94 - 7 - 1750/2.9=1, 1766/4.0=1 HB3 GLU 122 - H GLN 62 lone 5 62 - 7 - 4077/4.6=1, 3.0/6578=1 HB2 LYS 86 - H GLN 62 lone 3 85 - 3 - Peak 6587 from nnoeabs.peaks (2.07, 7.73, 119.01 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.99: * HB3 GLN 62 + H GLN 62 OK 97 100 - 97 - 4.0=94, 1.8/1756=21...(12) HB3 LYS 61 + H GLN 62 OK 80 98 - 82 - 4.6=62, 1.8/6577=18...(11) HB2 PRO 129 - H GLN 62 OK 42 92 - 46 - 1751/2.9=7, 1759/4.0=5...(18) HG3 PRO 98 - H GLN 62 OK 22 81 - 28 - 2.3/10145=8, 2.3/6577=6...(8) HB2 PRO 52 - H GLN 62 OK 15 68 - 22 - 1751/2.9=5, 1759/4.0=4...(8) HB2 LEU 26 - H GLN 62 OK 11 99 - 11 - 1652/3.5=2, 1663/4.6=2...(5) HD2 ARG 49 - H GLN 62 OK 11 100 - 11 - 1652/3.5=2, 6566/3.3=2 HG2 GLU 122 - H GLN 62 poor 10 89 - 11 - 1652/3.5=3, 1663/4.6=2 HA ARG 35 - H GLN 62 lone 2 81 - 3 - Peak 6588 from nnoeabs.peaks (2.29, 7.73, 119.01 ppm; 4.08 A): 2 out of 8 assignments used, quality = 0.97: * HG2 GLN 62 + H GLN 62 OK 83 100 - 83 - 4.9=57, 2.9/1756=18...(13) HG3 GLN 62 + H GLN 62 OK 83 100 - 83 - 4.9=57, 2.9/1756=18...(13) HG3 GLU 75 - H GLN 62 OK 18 100 - 18 - 8643/8337=7, 2231/3.3=2...(7) HG2 GLU 131 - H GLN 62 OK 16 68 - 24 - 1.8/4467=5, 2.9/4446=4...(9) HG3 GLU 142 - H GLN 62 lone 7 68 - 10 - ~10508=2, ~10378=1, ~10507=1 HG3 GLU 81 - H GLN 62 lone 5 100 - 5 - 8790/4502=1 HG2 GLU 90 - H GLN 62 lone 4 62 - 6 - HG2 GLU 120 - H GLN 62 lone 3 81 - 3 - Peak 6589 from nnoeabs.peaks (2.29, 7.73, 119.01 ppm; 4.08 A): 2 out of 5 assignments used, quality = 0.97: * HG3 GLN 62 + H GLN 62 OK 83 100 - 83 - 4.9=57, 2.9/1756=18...(13) HG2 GLN 62 + H GLN 62 OK 83 100 - 83 - 4.9=57, 2.9/1756=18...(13) HG3 GLU 75 - H GLN 62 OK 18 100 - 18 - 8643/8337=7, 2231/3.3=2...(7) HG3 GLU 81 - H GLN 62 lone 5 99 - 5 - 8790/4502=1 HG2 GLU 120 - H GLN 62 lone 3 92 - 3 - Peak 6592 from nnoeabs.peaks (6.86, 6.86, 111.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 62 + HE21 GLN 62 OK 100 100 - 100 Peak 6595 from nnoeabs.peaks (1.93, 6.86, 111.72 ppm; 5.42 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 4.6=100 HB2 PRO 118 - HE21 GLN 62 OK 26 98 - 26 - 3.0/11706=19, 6603/1.7=4 HB3 LEU 132 - HE21 GLN 62 OK 23 100 - 23 - 4486/6.7=5, 1750/5.8=4...(7) HG2 PRO 12 - HE21 GLN 62 OK 19 100 - 19 - 8019/5.8=4, 92/11537=3...(9) HB3 PRO 52 - HE21 GLN 62 OK 19 81 - 23 - 1766/4.6=4, ~6604=3...(9) HG3 PRO 12 - HE21 GLN 62 OK 18 100 - 18 - 8019/5.8=4, 92/11537=3...(6) HG2 PRO 52 - HE21 GLN 62 OK 16 77 - 21 - 1766/4.6=4, ~6604=3...(9) HB2 MET 59 - HE21 GLN 62 OK 12 94 - 13 - 10108/9112=3, 6586/6.7=2...(6) HB2 ARG 140 - HE21 GLN 62 OK 11 100 - 11 - 1766/4.6=2, 6603/1.7=2 HB2 ARG 89 - HE21 GLN 62 lone 9 94 - 9 - 1766/4.6=2, 2861/4.6=1 HB ILE 136 - HE21 GLN 62 poor 7 68 - 11 - 2.1/8339=6 HG13 ILE 83 - HE21 GLN 62 lone 5 77 - 7 - 10020=1 HB3 GLU 122 - HE21 GLN 62 lone 3 62 - 5 - HB2 LYS 86 - HE21 GLN 62 lone 3 85 - 3 - Peak 6596 from nnoeabs.peaks (2.07, 6.86, 111.72 ppm; 6.80 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 4.6=100 HB2 PRO 129 - HE21 GLN 62 OK 32 92 - 35 - 4375/5.8=9, 1759/4.6=9...(6) HB3 LYS 61 - HE21 GLN 62 OK 30 98 - 31 - 1681/6.7=16, 1751/5.8=5...(6) HB2 PRO 52 - HE21 GLN 62 OK 25 68 - 37 - 1751/5.8=9, 1759/4.6=8...(9) HG3 PRO 98 - HE21 GLN 62 OK 18 81 - 21 - 1751/5.8=6, 1759/4.6=4...(6) HB2 LEU 26 - HE21 GLN 62 lone 9 99 - 9 - 6604/1.7=2, 6587/6.7=1...(5) HG2 GLU 122 - HE21 GLN 62 lone 9 89 - 10 - 6578/6.7=1, 6604/1.7=1 HD2 ARG 49 - HE21 GLN 62 lone 8 100 - 8 - 6587/6.7=1, 1751/5.8=1 HA ARG 35 - HE21 GLN 62 lone 4 81 - 4 - Peak 6597 from nnoeabs.peaks (2.29, 6.86, 111.72 ppm; 3.91 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 3.5=100 HG3 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 3.5=100 HG3 GLU 75 - HE21 GLN 62 lone 4 100 - 4 - HG3 GLU 81 - HE21 GLN 62 lone 3 100 - 3 - HG2 GLU 90 - HE21 GLN 62 lone 2 62 - 3 - HG2 GLU 131 - HE21 GLN 62 lone 2 68 - 3 - HG2 GLU 120 - HE21 GLN 62 lone 2 81 - 2 - HG3 GLU 142 - HE21 GLN 62 lone 2 68 - 2 - Peak 6598 from nnoeabs.peaks (2.29, 6.86, 111.72 ppm; 3.91 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 3.5=100 HG2 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 3.5=100 HG3 GLU 75 - HE21 GLN 62 lone 4 100 - 4 - HG3 GLU 81 - HE21 GLN 62 lone 3 99 - 3 - HG2 GLU 120 - HE21 GLN 62 lone 2 92 - 2 - Peak 6599 from nnoeabs.peaks (7.47, 6.86, 111.72 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 1.7=100 HE21 GLN 47 - HE21 GLN 62 OK 23 77 - 30 - 11651=27, ~6428=2 H LEU 126 - HE21 GLN 62 lone 1 72 - 2 - HD1 TRP 88 - HE21 GLN 62 lone 1 89 - 1 - Peak 6600 from nnoeabs.peaks (7.47, 7.47, 111.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 62 + HE22 GLN 62 OK 100 100 - 100 Peak 6603 from nnoeabs.peaks (1.93, 7.47, 111.72 ppm; 4.99 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 4.6=100 HB2 PRO 118 - HE22 GLN 62 OK 22 98 - 22 - ~11706=16, 6595/1.7=3 HB3 LEU 132 - HE22 GLN 62 OK 18 100 - 18 - 4486/6.7=4, 1766/4.6=3...(6) HB3 PRO 52 - HE22 GLN 62 OK 17 81 - 20 - 1.8/6604=4, 1766/4.6=4...(9) HG2 PRO 12 - HE22 GLN 62 OK 16 100 - 15 - 8019/5.8=3, 6595/1.7=3...(6) HG2 PRO 52 - HE22 GLN 62 OK 14 77 - 19 - 2.3/6604=4, 1766/4.6=3...(8) HG3 PRO 12 - HE22 GLN 62 OK 13 100 - 13 - 8019/5.8=3, 6595/1.7=2...(5) HB2 MET 59 - HE22 GLN 62 lone 9 94 - 9 - 6595/1.7=2, 6586/6.7=1...(5) HB2 ARG 140 - HE22 GLN 62 lone 8 100 - 8 - 6595/1.7=1, 1766/4.6=1 HB2 ARG 89 - HE22 GLN 62 lone 7 94 - 8 - 1766/4.6=1, 2861/4.6=1 HB ILE 136 - HE22 GLN 62 lone 5 68 - 8 - ~8339=4 HG13 ILE 83 - HE22 GLN 62 lone 4 77 - 5 - 10020/1.7=2 HB3 GLU 122 - HE22 GLN 62 lone 3 62 - 5 - HB2 LYS 86 - HE22 GLN 62 lone 2 85 - 3 - Peak 6604 from nnoeabs.peaks (2.07, 7.47, 111.72 ppm; 4.42 A): 1 out of 9 assignments used, quality = 0.93: * HB3 GLN 62 + HE22 GLN 62 OK 93 100 - 93 - 4.6=88, 2.9/6606=20...(5) HB2 PRO 129 - HE22 GLN 62 OK 18 92 - 20 - 1759/4.6=5, 1775/3.5=4...(6) HB3 LYS 61 - HE22 GLN 62 OK 15 98 - 15 - 1681/6.7=6, 1751/5.8=2...(6) HB2 PRO 52 - HE22 GLN 62 OK 14 68 - 21 - 1759/4.6=5, 1751/5.8=4...(8) HG3 PRO 98 - HE22 GLN 62 poor 9 81 - 11 - 1751/5.8=3, 1759/4.6=2...(6) HB2 LEU 26 - HE22 GLN 62 lone 5 99 - 5 - 10873/8340=1 HG2 GLU 122 - HE22 GLN 62 lone 4 89 - 4 - HD2 ARG 49 - HE22 GLN 62 lone 4 100 - 4 - HA ARG 35 - HE22 GLN 62 lone 2 81 - 2 - Peak 6605 from nnoeabs.peaks (2.29, 7.47, 111.72 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.98: * HG2 GLN 62 + HE22 GLN 62 OK 86 100 - 86 - 3.5=83, 2.9/6604=10...(4) HG3 GLN 62 + HE22 GLN 62 OK 85 100 - 86 - 3.5=83, 2.9/6604=10...(4) HG3 GLU 75 - HE22 GLN 62 lone 3 100 - 3 - HG3 GLU 81 - HE22 GLN 62 lone 2 100 - 2 - HG2 GLU 90 - HE22 GLN 62 lone 2 62 - 2 - HG2 GLU 131 - HE22 GLN 62 lone 1 68 - 2 - HG2 GLU 120 - HE22 GLN 62 lone 1 81 - 2 - HG3 GLU 142 - HE22 GLN 62 lone 1 68 - 2 - Peak 6606 from nnoeabs.peaks (2.29, 7.47, 111.72 ppm; 3.33 A): 2 out of 5 assignments used, quality = 0.98: * HG3 GLN 62 + HE22 GLN 62 OK 86 100 - 86 - 3.5=83, 2.9/6604=10...(4) HG2 GLN 62 + HE22 GLN 62 OK 85 100 - 86 - 3.5=83, 2.9/6604=10...(4) HG3 GLU 75 - HE22 GLN 62 lone 3 100 - 3 - HG3 GLU 81 - HE22 GLN 62 lone 2 99 - 2 - HG2 GLU 120 - HE22 GLN 62 lone 2 92 - 2 - Peak 6607 from nnoeabs.peaks (6.86, 7.47, 111.72 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 1.7=100 Peak 6608 from nnoeabs.peaks (8.29, 8.29, 127.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 Peak 6609 from nnoeabs.peaks (4.03, 8.29, 127.59 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 63 + H LEU 64 OK 100 100 - 100 - 3.6=100 HB THR 107 - H LEU 64 OK 19 89 - 21 - 10164/5.2=7, 1803/4.3=4...(5) HA LYS 123 - H LEU 64 OK 10 94 - 11 - 1793/4.4=2, 1803/4.3=2...(4) HA GLU 37 - H LEU 64 poor 10 98 - 10 - 1798/4.4=2, 1803/4.3=2...(4) HA GLU 81 - H LEU 64 lone 10 99 - 10 - 1803/4.3=2, 1798/4.4=2...(4) HB3 SER 100 - H LEU 64 lone 5 68 - 7 - 1798/4.4=2, 1803/4.3=2 HB2 SER 103 - H LEU 64 lone 3 68 - 5 - 1798/4.4=1, 1793/4.4=1 Peak 6610 from nnoeabs.peaks (1.99, 8.29, 127.59 ppm; 4.83 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 63 + H LEU 64 OK 100 100 - 100 - 4.4=100 QE MET 59 + H LEU 64 OK 49 100 - 49 - 10409/4.9=12...(9) QE MET 113 - H LEU 64 OK 32 100 - 32 - 10662/4.9=13, 9332/4.5=5...(6) HB2 GLN 111 - H LEU 64 OK 28 94 - 29 - 10634/3.8=6, 9880/4.9=6...(8) HB3 GLU 75 - H LEU 64 OK 22 68 - 33 - 10634/3.8=5, 9850/9812=5...(12) HG3 PRO 52 - H LEU 64 OK 12 81 - 14 - 1789/3.6=3, 1804/4.3=3...(5) HB2 GLU 142 - H LEU 64 lone 9 96 - 10 - 11023/3.0=1, 1789/3.6=1...(4) QE MET 11 - H LEU 64 poor 9 77 - 11 - 1804/4.3=1, 10634/3.8=1...(6) HG3 GLU 122 - H LEU 64 lone 4 68 - 6 - 1789/3.6=2, 1804/4.3=1 HB3 GLU 90 - H LEU 64 lone 2 62 - 4 - Peak 6611 from nnoeabs.peaks (0.91, 8.29, 127.59 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.97: * QG1 VAL 63 + H LEU 64 OK 89 100 - 89 - 4.4=61, 2.1/1807=22...(18) HB2 LEU 64 + H LEU 64 OK 76 77 - 98 - 3.8=95, 3.2/1848=13...(17) QD2 LEU 29 - H LEU 64 OK 34 92 - 37 - 8074/5.2=7, 1810/3.0=6...(11) QG1 VAL 53 - H LEU 64 OK 17 100 - 17 - 1790/3.6=5, 1805/4.3=4...(4) QG2 VAL 80 - H LEU 64 poor 8 72 - 11 - 8272/10580=2, 1790/3.6=1 Peak 6612 from nnoeabs.peaks (0.93, 8.29, 127.59 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.99: * QG2 VAL 63 + H LEU 64 OK 91 100 - 91 - 4.3=65, 2.1/1802=22...(17) HB2 LEU 64 + H LEU 64 OK 90 92 - 98 - 3.8=95, 3.2/1848=13...(15) QG2 ILE 91 - H LEU 64 OK 43 100 - 43 - 8976/3.0=8, 1791/3.6=5...(15) HB2 LEU 108 - H LEU 64 OK 42 100 - 42 - ~9266=5, 1810/3.0=5...(15) QD2 LEU 29 - H LEU 64 OK 24 77 - 31 - 8074/5.2=5, 6623/4.6=4...(12) Peak 6613 from nnoeabs.peaks (4.17, 8.29, 127.59 ppm; 4.88 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 - 100 - 3.0=100 HA TRP 88 + H LEU 64 OK 57 100 - 58 - 10239/3.8=12...(14) HA PHE 38 - H LEU 64 OK 32 100 - 32 - 1817/3.8=4, 1841/4.9=3...(17) HG1 THR 74 - H LEU 64 OK 24 100 - 24 - ~8619=4, 1817/3.8=4...(8) HA GLU 120 - H LEU 64 lone 9 92 - 10 - 1817/3.8=1, 1841/4.9=1 HB3 SER 44 - H LEU 64 poor 8 81 - 10 - 9875/4.4=3, 9831/4.3=2 HB2 SER 44 - H LEU 64 lone 8 81 - 10 - 9875/4.4=2, 9831/4.3=2 HA CYS 121 - H LEU 64 poor 7 62 - 10 - ~4048=1, ~4053=1 Peak 6614 from nnoeabs.peaks (0.92, 8.29, 127.59 ppm; 3.70 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 98 100 - 98 - 3.8=95, 3.2/1848=13...(16) QG2 VAL 63 + H LEU 64 OK 83 92 - 90 - 4.3=65, 2.1/1802=22...(17) QG1 VAL 63 + H LEU 64 OK 67 77 - 87 - 4.4=61, 2.1/1807=22...(18) QG2 ILE 91 - H LEU 64 OK 38 92 - 41 - 8976/3.0=7, ~2953=5...(15) QD2 LEU 29 - H LEU 64 OK 37 99 - 38 - 8074/5.2=8, 1810/3.0=5...(12) HB2 LEU 108 - H LEU 64 OK 36 85 - 42 - 1810/3.0=6, ~9266=5...(16) QG1 VAL 53 - H LEU 64 poor 10 72 - 14 - 1790/3.6=3, 1805/4.3=3 Peak 6615 from nnoeabs.peaks (1.62, 8.29, 127.59 ppm; 4.88 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 100 100 - 100 - 3.8=100 HG LEU 108 + H LEU 64 OK 54 89 - 61 - ~9266=13, ~9266=10...(15) HB2 LEU 87 - H LEU 64 OK 43 100 - 43 - 1811/3.0=9, 1828/5.2=8...(9) HB2 LEU 97 - H LEU 64 OK 21 81 - 26 - 3200/4.5=5, 10128/5.2=4...(9) HD2 LYS 24 - H LEU 64 OK 19 77 - 24 - 11360=9, 3.7/11354=4...(9) HG3 LYS 34 - H LEU 64 OK 17 77 - 23 - 1851/4.5=5, 1843/4.9=5...(6) HG3 ARG 49 - H LEU 64 OK 16 100 - 16 - 1819/3.8=2, 1811/3.0=2...(8) HG3 ARG 144 - H LEU 64 OK 12 100 - 12 - 6624/4.6=3, 1811/3.0=2...(6) HG2 ARG 144 - H LEU 64 lone 7 68 - 10 - 6624/4.6=2, ~1811=1, ~1811=1 HG2 ARG 141 - H LEU 64 lone 3 85 - 4 - HG3 LYS 48 - H LEU 64 lone 3 62 - 5 - Peak 6616 from nnoeabs.peaks (1.14, 8.29, 127.59 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + H LEU 64 OK 100 100 - 100 - 5.2=100 QG2 THR 18 + H LEU 64 OK 82 100 - 82 - 3.2/11273=28...(12) Peak 6617 from nnoeabs.peaks (0.63, 8.29, 127.59 ppm; 4.81 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 - 100 - 4.9=93, 2.1/1848=26...(18) QD1 LEU 126 + H LEU 64 OK 48 96 - 50 - 1813/3.0=11, 1821/3.8=11...(9) QD2 LEU 79 - H LEU 64 OK 28 77 - 37 - 9866/4.3=9, 1813/3.0=6...(10) Peak 6618 from nnoeabs.peaks (0.86, 8.29, 127.59 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.97: * QD1 LEU 64 + H LEU 64 OK 95 100 - 95 - 4.5=75, 1849/3.0=26...(11) QG2 ILE 56 + H LEU 64 OK 45 96 - 47 - 10608/3.6=11...(10) QG2 ILE 83 - H LEU 64 OK 40 99 - 41 - 1822/3.8=10, 1814/3.0=10...(8) HB3 LEU 42 - H LEU 64 OK 24 89 - 27 - 1814/3.0=5, 1822/3.8=5...(9) QD2 LEU 97 - H LEU 64 OK 12 72 - 17 - 1822/3.8=3, 1830/3.8=2...(9) Peak 6620 from nnoeabs.peaks (9.19, 9.19, 124.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 65 + H ASP 65 OK 100 100 - 100 Peak 6622 from nnoeabs.peaks (4.17, 9.19, 124.99 ppm; 3.03 A): 2 out of 8 assignments used, quality = 0.78: * HA LEU 64 + H ASP 65 OK 75 100 - 75 - 3.6=61, 3.9/1855=13...(5) HA TRP 88 + H ASP 65 OK 14 100 - 14 - 10239/4.4=4, 1849/5.0=2...(5) HG1 THR 74 - H ASP 65 lone 9 100 - 9 - 3.0/9853=3, 1817/4.4=1 HA PHE 38 - H ASP 65 lone 5 100 - 5 - 1817/4.4=1, 6613/4.6=1 HA CYS 121 - H ASP 65 lone 2 62 - 3 - HA GLU 120 - H ASP 65 lone 2 92 - 2 - HB3 SER 44 - H ASP 65 lone 1 81 - 2 - HB2 SER 44 - H ASP 65 lone 1 81 - 2 - Peak 6623 from nnoeabs.peaks (0.92, 9.19, 124.99 ppm; 3.44 A): 3 out of 7 assignments used, quality = 0.97: * HB2 LEU 64 + H ASP 65 OK 81 100 - 81 - 4.4=48, 3.0/1815=24...(8) QD2 LEU 29 + H ASP 65 OK 65 99 - 65 - 2.1/8072=15, 8066/4.0=13...(15) QG2 VAL 63 + H ASP 65 OK 48 92 - 53 - 11453=14, 10867/3.0=10...(13) QG1 VAL 63 - H ASP 65 OK 44 77 - 57 - 2.1/11453=15, ~8387=9...(14) QG2 ILE 91 - H ASP 65 OK 17 92 - 18 - 8976/3.6=5, 1850/5.0=2...(6) HB2 LEU 108 - H ASP 65 OK 16 85 - 18 - 1810/3.6=4, 1826/4.4=3...(7) QG1 VAL 53 - H ASP 65 lone 3 72 - 5 - Peak 6624 from nnoeabs.peaks (1.62, 9.19, 124.99 ppm; 4.66 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + H ASP 65 OK 100 100 - 100 - 4.4=100 HG3 ARG 144 - H ASP 65 OK 34 100 - 34 - 3.9/6628=5, ~8385=4...(13) HB2 LEU 87 - H ASP 65 OK 26 100 - 26 - 1811/3.6=7, 1851/5.0=5...(6) HG LEU 108 - H ASP 65 OK 24 89 - 27 - 1811/3.6=6, 3495/4.4=5...(10) HG2 ARG 144 - H ASP 65 OK 21 68 - 31 - 3.9/6628=5, ~8385=4...(11) HB2 LEU 97 - H ASP 65 OK 17 81 - 21 - 3200/5.0=4, 4.0/6631=3...(10) HG3 LYS 34 - H ASP 65 OK 12 77 - 16 - 1851/5.0=4, 1811/3.6=4...(6) HG3 ARG 49 - H ASP 65 OK 11 100 - 11 - 1811/3.6=2, 1819/4.4=2...(4) HD2 LYS 24 - H ASP 65 OK 11 77 - 14 - 11360/4.6=5, 1811/3.6=2...(5) HG2 ARG 141 - H ASP 65 lone 6 85 - 7 - ~10819=2, 2.8/11255=1 HG3 LYS 48 - H ASP 65 lone 2 62 - 4 - Peak 6625 from nnoeabs.peaks (1.14, 9.19, 124.99 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.80: * HG LEU 64 + H ASP 65 OK 73 100 - 73 - 2.1/1855=34, 3.7/1815=24...(8) QG2 THR 18 + H ASP 65 OK 26 100 - 26 - 1812/3.6=8, 1820/4.4=6...(6) Peak 6626 from nnoeabs.peaks (0.63, 9.19, 124.99 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.94: * QD2 LEU 64 + H ASP 65 OK 90 100 - 90 - 2.1/1855=37, 2.1/6625=30...(15) QD1 LEU 126 + H ASP 65 OK 43 96 - 45 - 1813/3.6=8, 1821/4.4=8...(10) QD2 LEU 79 - H ASP 65 OK 28 77 - 36 - 2.1/9853=12, 1813/3.6=4...(11) Peak 6627 from nnoeabs.peaks (0.86, 9.19, 124.99 ppm; 3.05 A): 3 out of 5 assignments used, quality = 0.79: * QD1 LEU 64 + H ASP 65 OK 71 100 - 71 - 1855=37, 2.1/6625=16...(8) QG2 ILE 83 + H ASP 65 OK 17 99 - 18 - 1814/3.6=5, 1822/4.4=4...(6) QG2 ILE 56 + H ASP 65 OK 15 96 - 16 - 11010/4.4=5, 1814/3.6=4...(6) HB3 LEU 42 - H ASP 65 poor 10 89 - 11 - 1814/3.6=3, 1822/4.4=2...(6) QD2 LEU 97 - H ASP 65 lone 6 72 - 8 - 1822/4.4=1 Peak 6628 from nnoeabs.peaks (4.35, 9.19, 124.99 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 65 + H ASP 65 OK 100 100 - 100 - 3.0=100 HA ARG 144 - H ASP 65 OK 20 94 - 22 - 1862/4.0=3, 1867/4.0=3...(11) HB THR 51 - H ASP 65 OK 20 89 - 23 - 1862/4.0=3, 1867/4.0=3...(10) HA3 GLY 77 - H ASP 65 lone 9 100 - 9 - ~2341=2, ~2341=2...(5) Peak 6629 from nnoeabs.peaks (2.47, 9.19, 124.99 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.77: * HB2 ASP 65 + H ASP 65 OK 77 100 - 77 - 4.0=64, 1.8/6630=27...(7) Peak 6630 from nnoeabs.peaks (3.04, 9.19, 124.99 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.85: * HB3 ASP 65 + H ASP 65 OK 81 100 - 81 - 4.0=68, 1.8/6629=37...(5) HB2 PHE 67 + H ASP 65 OK 19 100 - 19 - 1859/3.0=7, 1864/4.0=5...(4) HB2 HIS 10 - H ASP 65 lone 4 85 - 5 - 1859/3.0=2, 1864/4.0=2 HE2 LYS 34 - H ASP 65 lone 2 72 - 3 - Peak 6631 from nnoeabs.peaks (7.64, 9.19, 124.99 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 66 + H ASP 65 OK 100 100 - 100 - 4.4=100 H LEU 97 - H ASP 65 OK 13 72 - 18 - 8070/8072=3, 1860/3.0=3...(8) H GLU 122 - H ASP 65 lone 7 100 - 7 - 7507/3.6=2, 1860/3.0=1 H VAL 82 - H ASP 65 lone 6 94 - 6 - 1860/3.0=4 HD21 ASN 130 - H ASP 65 lone 1 100 - 1 - Peak 6632 from nnoeabs.peaks (7.64, 7.64, 123.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 66 + H LEU 66 OK 100 100 - 100 Peak 6634 from nnoeabs.peaks (4.35, 7.64, 123.68 ppm; 3.31 A): 3 out of 4 assignments used, quality = 0.89: * HA ASP 65 + H LEU 66 OK 86 100 - 86 - 3.6=79, 9885/4.5=8...(7) HB THR 51 + H LEU 66 OK 12 89 - 14 - 1867/4.6=2, 1862/4.6=2...(6) HA ARG 144 + H LEU 66 OK 10 94 - 11 - 6628/4.4=2, 8398/4.6=2...(5) HA3 GLY 77 - H LEU 66 lone 6 100 - 6 - Peak 6635 from nnoeabs.peaks (2.47, 7.64, 123.68 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + H LEU 66 OK 100 100 - 100 - 4.6=100 Peak 6636 from nnoeabs.peaks (3.04, 7.64, 123.68 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + H LEU 66 OK 100 100 - 100 - 4.6=100 HB2 PHE 67 + H LEU 66 OK 56 100 - 56 - 3.7/6643=26, 1859/3.6=10...(10) HB2 HIS 10 - H LEU 66 lone 8 85 - 9 - 1859/3.6=3, 1864/4.6=2 HE2 LYS 34 - H LEU 66 lone 5 72 - 7 - 6654/4.6=2, 10564/8379=1 Peak 6637 from nnoeabs.peaks (3.82, 7.64, 123.68 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 66 + H LEU 66 OK 100 100 - 100 - 2.8=100 HA GLN 133 - H LEU 66 OK 29 89 - 33 - 1907/4.5=6, 1915/4.5=4...(12) HA THR 110 - H LEU 66 OK 19 81 - 24 - 1891/3.9=3, 1915/4.5=3...(9) HD2 PRO 118 - H LEU 66 OK 18 98 - 18 - 1915/4.5=2, 1907/4.5=2...(7) HB2 SER 100 - H LEU 66 OK 14 94 - 15 - 1907/4.5=2, 1891/3.9=2...(6) HA3 GLY 50 - H LEU 66 lone 10 100 - 10 - 1891/3.9=1, 1907/4.5=1...(5) Peak 6638 from nnoeabs.peaks (1.57, 7.64, 123.68 ppm; 4.05 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + H LEU 66 OK 100 100 - 100 - 3.9=100 HB2 LEU 126 - H LEU 66 OK 43 100 - 43 - 3.1/11441=7, ~10786=6...(13) HG3 ARG 109 - H LEU 66 OK 38 92 - 41 - 2.8/6640=6, 3561/4.8=5...(13) HG2 ARG 109 - H LEU 66 OK 36 92 - 39 - 2.8/6640=6, 1908/4.5=4...(15) HG3 ARG 124 - H LEU 66 OK 17 96 - 18 - 4.9/10336=5, 1916/4.5=2...(7) HD2 LYS 85 - H LEU 66 OK 15 99 - 15 - 1892/3.9=2, 1908/4.5=2...(7) HD3 LYS 85 - H LEU 66 OK 14 99 - 14 - 1908/4.5=2, 1892/3.9=2...(8) HG2 ARG 145 - H LEU 66 OK 10 100 - 10 - 1873/2.8=1, 1892/3.9=1 HG3 ARG 145 - H LEU 66 lone 10 99 - 10 - 1873/2.8=1, 1892/3.9=1 Peak 6639 from nnoeabs.peaks (1.45, 7.64, 123.68 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 66 + H LEU 66 OK 100 100 - 100 - 3.9=100 HG LEU 126 - H LEU 66 OK 35 77 - 45 - ~10786=9, ~11154=8...(12) HB2 LYS 76 - H LEU 66 OK 29 94 - 31 - 3.0/9882=5, 1874/2.8=5...(9) HB3 LYS 123 - H LEU 66 OK 28 100 - 28 - 4.2/10336=6, 3.0/10328=4...(10) HB3 LYS 114 - H LEU 66 OK 15 77 - 20 - 6649/4.6=3, 1917/4.5=3...(6) HG2 LYS 48 - H LEU 66 lone 10 100 - 10 - 1874/2.8=2, 1909/4.5=1...(5) Peak 6640 from nnoeabs.peaks (1.72, 7.64, 123.68 ppm; 3.56 A): 6 out of 7 assignments used, quality = 0.94: * HG LEU 66 + H LEU 66 OK 77 100 - 77 - 4.8=42, 2.1/1906=15...(13) HB3 GLU 81 + H LEU 66 OK 37 100 - 37 - 2454=7, 1.8/2447=6...(13) HB3 ARG 109 + H LEU 66 OK 33 100 - 33 - 1875/2.8=5, 1918/4.5=4...(13) HB2 GLU 81 + H LEU 66 OK 19 62 - 30 - 1.8/2454=6, 4.0/6881=5...(11) HD2 LYS 36 + H LEU 66 OK 15 92 - 16 - 2454=2, 1875/2.8=2...(8) HB3 ARG 144 + H LEU 66 OK 12 96 - 12 - 8385/3.6=4, 3.0/6634=3 HG3 ARG 89 - H LEU 66 lone 8 100 - 8 - 1875/2.8=1 Peak 6641 from nnoeabs.peaks (0.57, 7.64, 123.68 ppm; 3.80 A): 3 out of 4 assignments used, quality = 0.94: * QD1 LEU 66 + H LEU 66 OK 85 100 - 85 - 4.5=60, 1907/2.8=17...(12) QG1 VAL 71 + H LEU 66 OK 38 96 - 40 - 1876/2.8=8, ~8506=6...(11) QD1 LEU 132 + H LEU 66 OK 30 81 - 37 - 1876/2.8=7, 1919/4.5=5...(12) QG2 ILE 58 - H LEU 66 OK 28 100 - 28 - 10572/11443=8...(9) Peak 6642 from nnoeabs.peaks (0.67, 7.64, 123.68 ppm; 3.57 A): 3 out of 4 assignments used, quality = 0.95: * QD2 LEU 66 + H LEU 66 OK 83 100 - 83 - 4.5=50, 2.1/1906=15...(15) QD2 LEU 39 + H LEU 66 OK 55 100 - 55 - 3.2/11442=11...(18) QD1 ILE 83 + H LEU 66 OK 39 96 - 41 - 10004/4.5=7, 1877/2.8=5...(16) HB3 LEU 116 - H LEU 66 OK 37 85 - 44 - 3.1/11442=8, ~8390=6...(14) Peak 6643 from nnoeabs.peaks (7.29, 7.64, 123.68 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.94: * H PHE 67 + H LEU 66 OK 93 100 - 93 - 4.6=77, 8398/3.6=18...(16) QD TYR 115 + H LEU 66 OK 15 62 - 24 - 1921/4.5=8, 1913/4.5=8...(4) HZ2 TRP 17 - H LEU 66 lone 4 96 - 5 - QE PHE 106 - H LEU 66 lone 3 89 - 4 - 1921/4.5=2, 1913/4.5=1 Peak 6644 from nnoeabs.peaks (7.07, 7.64, 123.68 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.88: * H MET 68 + H LEU 66 OK 77 100 - 77 - 3.6/6643=39, 6662=26...(11) QE PHE 67 + H LEU 66 OK 38 72 - 52 - 6.1/6643=30, 4.4/6636=14...(5) QD TYR 70 + H LEU 66 OK 17 81 - 21 - 6659/4.6=8, 4692/4.8=5...(4) Peak 6645 from nnoeabs.peaks (7.29, 7.29, 113.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 67 + H PHE 67 OK 100 100 - 100 Peak 6646 from nnoeabs.peaks (7.64, 7.29, 113.07 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.89: * H LEU 66 + H PHE 67 OK 82 100 - 82 - 4.6=55, 3.6/8398=14...(16) H VAL 82 + H PHE 67 OK 25 94 - 27 - 3.2/9999=6, 1871/3.6=6...(10) H GLU 122 + H PHE 67 OK 20 100 - 20 - 7509/2.8=4, 3.6/6653=3...(8) H LEU 97 - H PHE 67 poor 8 72 - 12 - 10875/8408=2...(4) HD21 ASN 130 - H PHE 67 lone 4 100 - 3 - Peak 6647 from nnoeabs.peaks (3.82, 7.29, 113.07 ppm; 4.05 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 66 + H PHE 67 OK 100 100 - 100 - 3.6=100 HA THR 110 - H PHE 67 OK 27 81 - 33 - 3.2/9278=22, 1891/4.4=3...(5) HA GLN 133 - H PHE 67 OK 26 89 - 29 - 6663/3.6=5, 1891/4.4=3...(12) HD2 PRO 118 - H PHE 67 OK 20 98 - 20 - 6663/3.6=8, 6637/4.6=2...(5) HB2 SER 100 - H PHE 67 OK 12 94 - 13 - 6663/3.6=2, 6680/6660=2...(4) HA3 GLY 50 - H PHE 67 lone 9 100 - 9 - 6663/3.6=1, 1891/4.4=1 Peak 6648 from nnoeabs.peaks (1.57, 7.29, 113.07 ppm; 4.54 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 66 + H PHE 67 OK 100 100 - 100 - 4.4=100 HG3 ARG 109 - H PHE 67 OK 31 92 - 34 - 2.8/6650=7, 10235/4.3=5...(12) HB2 LEU 126 - H PHE 67 OK 30 100 - 30 - 4278/4.4=6, 3.1/11231=6...(9) HG2 ARG 109 - H PHE 67 OK 26 92 - 28 - 2.8/6650=7, 1.8/10733=6...(8) HD2 LYS 85 - H PHE 67 OK 16 99 - 16 - 2.9/6655=2, 2.9/6655=2...(8) HG3 ARG 124 - H PHE 67 OK 16 96 - 16 - 3.0/11234=4, 1873/3.6=2...(5) HD3 LYS 85 - H PHE 67 OK 15 99 - 15 - 2.9/6655=2, 2.9/6655=2...(7) HG2 ARG 145 - H PHE 67 lone 8 100 - 7 - 1873/3.6=1, 1892/4.4=1 HG3 ARG 145 - H PHE 67 lone 7 99 - 7 - 1873/3.6=1, 1892/4.4=1 Peak 6649 from nnoeabs.peaks (1.45, 7.29, 113.07 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.97: * HB3 LEU 66 + H PHE 67 OK 97 100 - 97 - 4.4=94, 3.9/6643=21...(7) HB3 LYS 114 - H PHE 67 OK 32 77 - 41 - 2.9/11233=14, 10201=7...(12) HG LEU 126 - H PHE 67 OK 21 77 - 27 - 2.1/11231=6, 1874/3.6=5...(8) HB2 LYS 76 - H PHE 67 OK 20 94 - 21 - 1874/3.6=5, 1885/4.4=4...(7) HB3 LYS 123 - H PHE 67 OK 13 100 - 13 - 1874/3.6=3, 6639/4.6=3 HG2 LYS 48 - H PHE 67 OK 12 100 - 12 - 3.6/6655=2, 3.6/6655=2...(5) Peak 6650 from nnoeabs.peaks (1.72, 7.29, 113.07 ppm; 4.11 A): 5 out of 7 assignments used, quality = 0.86: * HG LEU 66 + H PHE 67 OK 62 100 - 62 - 2.1/1913=21, 2.1/1921=19...(10) HB3 ARG 109 + H PHE 67 OK 30 100 - 30 - 1875/3.6=6, 10734/4.3=5...(9) HB3 GLU 81 + H PHE 67 OK 21 100 - 21 - 2454/4.6=5, 4.6/6646=4...(7) HD2 LYS 36 + H PHE 67 OK 19 92 - 21 - 1.8/11234=4, 1886/4.4=2...(9) HB3 ARG 144 + H PHE 67 OK 17 96 - 17 - 1.8/10513=6, 3.0/8398=5...(5) HB2 GLU 81 - H PHE 67 poor 10 62 - 16 - 4.6/6646=4, 1875/3.6=2...(5) HG3 ARG 89 - H PHE 67 lone 8 100 - 7 - 1875/3.6=1, 1886/4.4=1 Peak 6651 from nnoeabs.peaks (0.57, 7.29, 113.07 ppm; 5.21 A): 2 out of 4 assignments used, quality = 0.98: * QD1 LEU 66 + H PHE 67 OK 92 100 - 92 - 1913=28, 4.5/6643=26...(26) QG1 VAL 71 + H PHE 67 OK 79 96 - 82 - 2.1/9904=32, 8527/3.6=22...(20) QD1 LEU 132 - H PHE 67 OK 37 81 - 45 - 1876/3.6=9, 1895/4.4=7...(15) QG2 ILE 58 - H PHE 67 OK 37 100 - 37 - 10572/11629=8...(10) Peak 6652 from nnoeabs.peaks (0.67, 7.29, 113.07 ppm; 3.73 A): 4 out of 4 assignments used, quality = 0.95: * QD2 LEU 66 + H PHE 67 OK 73 100 - 73 - 1921=20, 2.1/1913=18...(18) QD2 LEU 39 + H PHE 67 OK 67 100 - 67 - 2.1/8406=16, 3.2/8407=10...(17) QD1 ILE 83 + H PHE 67 OK 29 96 - 30 - 1877/3.6=4, 1888/4.4=4...(12) HB3 LEU 116 + H PHE 67 OK 22 85 - 25 - 1877/3.6=5, 1888/4.4=4...(8) Peak 6653 from nnoeabs.peaks (4.19, 7.29, 113.07 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 67 + H PHE 67 OK 100 100 - 100 - 2.8=100 HA PHE 43 - H PHE 67 OK 23 99 - 24 - 1934/3.7=3, 6665/3.6=3...(10) HA CYS 121 - H PHE 67 OK 16 92 - 18 - 3.6/6646=3, 6665/3.6=2...(9) Peak 6654 from nnoeabs.peaks (3.04, 7.29, 113.07 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.92: * HB2 PHE 67 + H PHE 67 OK 87 100 - 87 - 3.7=73, 1.8/6655=17...(10) HB3 ASP 65 + H PHE 67 OK 39 100 - 39 - 3.0/8398=12, 4.6/6643=10...(8) HE2 LYS 34 - H PHE 67 poor 9 72 - 12 - 6666/3.6=3, 2.9/11234=2...(5) HB2 HIS 10 - H PHE 67 lone 4 85 - 5 - Peak 6655 from nnoeabs.peaks (2.95, 7.29, 113.07 ppm; 3.43 A): 3 out of 9 assignments used, quality = 0.94: * HB3 PHE 67 + H PHE 67 OK 89 100 - 89 - 3.7=78, 1.8/6654=23...(5) HB2 TYR 115 + H PHE 67 OK 35 100 - 35 - 1925/2.8=5, 3843=5...(12) HE2 LYS 85 + H PHE 67 OK 10 100 - 10 - 1925/2.8=1, 1936/3.7=1...(4) HE3 LYS 85 - H PHE 67 lone 9 92 - 10 - 1925/2.8=1, 2.9/6648=1...(4) HE2 LYS 48 - H PHE 67 lone 8 100 - 8 - 6667/3.6=1, 1925/2.8=1...(4) HB2 PHE 106 - H PHE 67 lone 8 100 - 8 - 1925/2.8=2, 1936/3.7=2 HE3 LYS 48 - H PHE 67 lone 8 98 - 8 - 6667/3.6=1, 3.6/6649=1...(4) HE2 LYS 93 - H PHE 67 lone 5 100 - 5 - HE3 LYS 93 - H PHE 67 lone 3 77 - 4 - Peak 6656 from nnoeabs.peaks (6.82, 7.29, 113.07 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.95: * QD PHE 67 + H PHE 67 OK 92 100 - 92 - 4.3=79, 2.6/6654=24...(11) HZ2 TRP 88 + H PHE 67 OK 35 99 - 35 - 1926/2.8=8, 6668/3.6=7...(9) HE21 GLN 133 - H PHE 67 OK 12 77 - 16 - 1926/2.8=3, 6668/3.6=3...(7) Peak 6659 from nnoeabs.peaks (7.07, 7.29, 113.07 ppm; 3.11 A): 3 out of 3 assignments used, quality = 0.91: * H MET 68 + H PHE 67 OK 82 100 - 82 - 3.6=64, 1948/3.7=14...(12) QE PHE 67 + H PHE 67 OK 32 72 - 44 - 2.2/6656=14, 6.1=13...(7) QD TYR 70 + H PHE 67 OK 23 81 - 29 - 4.4/11388=5, 1929/2.8=4...(11) Peak 6660 from nnoeabs.peaks (8.63, 7.29, 113.07 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.77: * H LEU 69 + H PHE 67 OK 69 100 - 69 - 6681=27, 6677/3.6=21...(13) H LEU 42 + H PHE 67 OK 24 98 - 24 - 6677/3.6=8, 1879/3.6=6...(6) Peak 6661 from nnoeabs.peaks (7.07, 7.07, 117.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 68 + H MET 68 OK 100 100 - 100 Peak 6662 from nnoeabs.peaks (7.64, 7.07, 117.96 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.90: * H LEU 66 + H MET 68 OK 78 100 - 78 - 6643/3.6=39, 6644=29...(11) H VAL 82 + H MET 68 OK 29 94 - 30 - 6646/3.6=9, ~8444=8...(6) H GLU 122 + H MET 68 OK 25 100 - 25 - 6646/3.6=7, 7509/3.6=7...(5) H LEU 97 + H MET 68 OK 12 72 - 16 - 8070/10529=3, 6646/3.6=3...(5) HD21 ASN 130 - H MET 68 lone 5 100 - 4 - 6646/3.6=1 Peak 6663 from nnoeabs.peaks (3.82, 7.07, 117.96 ppm; 3.74 A): 3 out of 6 assignments used, quality = 0.70: * HA LEU 66 + H MET 68 OK 43 100 - 43 - 3.6/6664=22, 1879/4.3=12...(7) HD2 PRO 118 + H MET 68 OK 32 98 - 33 - 1960/3.6=3, 6680/4.3=3...(16) HA GLN 133 + H MET 68 OK 21 89 - 24 - 6647/3.6=3, 9613/3.6=3...(9) HB2 SER 100 - H MET 68 lone 9 94 - 10 - 6680/4.3=3, 6647/3.6=1 HA THR 110 - H MET 68 lone 5 81 - 6 - 6647/3.6=3, 6680/4.3=1 HA3 GLY 50 - H MET 68 lone 4 100 - 4 - 6680/4.3=1, 6647/3.6=1 Peak 6664 from nnoeabs.peaks (7.29, 7.07, 117.96 ppm; 3.20 A): 3 out of 4 assignments used, quality = 0.88: * H PHE 67 + H MET 68 OK 86 100 - 86 - 3.6=69, 3.7/1948=14...(12) HZ2 TRP 17 + H MET 68 OK 11 96 - 11 - 1922/3.6=3, 1933/4.4=2...(5) QD TYR 115 + H MET 68 OK 10 62 - 16 - 1922/3.6=3, 2.5/6667=3...(7) QE PHE 106 - H MET 68 lone 4 89 - 5 - 1922/3.6=1 Peak 6665 from nnoeabs.peaks (4.19, 7.07, 117.96 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 67 + H MET 68 OK 100 100 - 100 - 3.6=100 HA PHE 43 - H MET 68 OK 20 99 - 20 - 6653/3.6=5, 1934/4.4=4...(5) HA CYS 121 - H MET 68 OK 14 92 - 15 - 6653/3.6=3, 1942/4.4=2...(6) Peak 6666 from nnoeabs.peaks (3.04, 7.07, 117.96 ppm; 3.63 A): 3 out of 4 assignments used, quality = 0.94: * HB2 PHE 67 + H MET 68 OK 86 100 - 86 - 4.4=58, 1.8/1948=29...(10) HB3 ASP 65 + H MET 68 OK 41 100 - 41 - 6654/3.6=7, 9887/3.6=6...(11) HE2 LYS 34 + H MET 68 OK 24 72 - 33 - 3.7/9798=14, 2.9/10800=6...(7) HB2 HIS 10 - H MET 68 lone 6 85 - 7 - Peak 6667 from nnoeabs.peaks (2.95, 7.07, 117.96 ppm; 4.01 A): 3 out of 9 assignments used, quality = 0.94: * HB3 PHE 67 + H MET 68 OK 91 100 - 91 - 4.4=78, 3.7/6664=24...(6) HB2 TYR 115 + H MET 68 OK 26 100 - 26 - 6655/3.6=6, 1925/3.6=6...(8) HE2 LYS 48 + H MET 68 OK 11 100 - 11 - 6655/3.6=1, 1925/3.6=1...(4) HE3 LYS 48 - H MET 68 lone 10 98 - 10 - 6655/3.6=1, 1925/3.6=1...(4) HB2 PHE 106 - H MET 68 lone 9 100 - 9 - 1925/3.6=2, 1936/4.4=2...(5) HE2 LYS 93 - H MET 68 lone 7 100 - 7 - HE2 LYS 85 - H MET 68 lone 7 100 - 7 - 6655/3.6=2, 1925/3.6=2 HE3 LYS 85 - H MET 68 lone 5 92 - 6 - 6655/3.6=2, 1925/3.6=1 HE3 LYS 93 - H MET 68 lone 4 77 - 6 - Peak 6668 from nnoeabs.peaks (6.82, 7.07, 117.96 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.94: * QD PHE 67 + H MET 68 OK 88 100 - 89 - 4.8=57, 2.6/1948=30...(12) HZ2 TRP 88 + H MET 68 OK 37 99 - 38 - 1926/3.6=7, 6656/3.6=7...(10) HE21 GLN 133 + H MET 68 OK 17 77 - 22 - 5.3/6663=3, 1926/3.6=3...(11) Peak 6671 from nnoeabs.peaks (3.84, 7.07, 117.96 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: * HA MET 68 + H MET 68 OK 100 100 - 100 - 2.9=100 HA LEU 72 + H MET 68 OK 51 94 - 54 - 3.0/8441=8, ~9918=6...(20) HA ALA 104 - H MET 68 OK 23 100 - 23 - 1949=3, 10195/3.6=3...(12) HD2 PRO 118 - H MET 68 OK 20 72 - 28 - 1960/3.6=3, 1984/4.4=3...(13) HA GLN 133 - H MET 68 OK 18 89 - 20 - 9613/3.6=2, 1984/4.4=2...(8) HB2 SER 127 - H MET 68 OK 18 100 - 18 - 10361/3.6=3, ~4326=2...(7) HB2 SER 100 - H MET 68 lone 5 81 - 6 - 6684/4.3=1 Peak 6672 from nnoeabs.peaks (1.66, 7.07, 117.96 ppm; 3.47 A): 2 out of 13 assignments used, quality = 0.99: * HB2 MET 68 + H MET 68 OK 97 100 - 97 - 3.6=90, 2.9/1983=21...(10) HB VAL 71 + H MET 68 OK 74 99 - 75 - 2.1/8523=23, ~8439=13...(18) HG13 ILE 136 - H MET 68 OK 29 92 - 32 - ~8436=5, 1951/2.9=4...(15) HB2 LEU 95 - H MET 68 OK 21 99 - 21 - 3.1/8443=7, 1958/2.9=3...(6) HD2 LYS 48 - H MET 68 lone 9 99 - 9 - 3.0/6667=1, 3.0/6667=1 HG2 ARG 124 - H MET 68 lone 9 100 - 9 - 11070/8443=1, 4224/3.6=1 HD3 LYS 48 - H MET 68 lone 7 81 - 9 - 3.0/6667=1, 3.0/6667=1 HG2 ARG 89 - H MET 68 lone 7 99 - 7 - 1958/2.9=1 HB2 PRO 57 - H MET 68 lone 6 77 - 8 - 2089/8523=2, 2085/2.9=1 HG2 ARG 140 - H MET 68 lone 6 94 - 6 - HD3 LYS 93 - H MET 68 lone 5 81 - 6 - HB2 LYS 114 - H MET 68 lone 4 81 - 5 - 10258/3.6=2 HB2 ARG 145 - H MET 68 lone 3 94 - 3 - Peak 6673 from nnoeabs.peaks (1.82, 7.07, 117.96 ppm; 3.25 A): 2 out of 6 assignments used, quality = 0.92: * HB3 MET 68 + H MET 68 OK 89 100 - 89 - 3.6=74, 2.9/1983=19...(8) HB3 LEU 72 + H MET 68 OK 30 62 - 49 - 1.8/8441=7, 3.0/6671=5...(23) HB2 ARG 141 - H MET 68 OK 21 100 - 21 - 1967=5, 1972/4.4=4...(7) HB VAL 80 - H MET 68 OK 21 96 - 22 - 1967=3, 1962/3.6=3...(10) HD3 LYS 36 - H MET 68 OK 17 100 - 17 - 1952/2.9=3, 1962/3.6=2...(7) HB2 MET 11 - H MET 68 OK 15 92 - 17 - 21/4.4=3, 1962/3.6=3...(7) Peak 6674 from nnoeabs.peaks (2.43, 7.07, 117.96 ppm; 3.77 A): 2 out of 10 assignments used, quality = 0.95: * HG2 MET 68 + H MET 68 OK 92 100 - 92 - 4.4=63, 1.8/1983=32...(16) HB3 PRO 33 + H MET 68 OK 34 99 - 34 - 1975=9, 1980/4.4=7...(9) HB3 PRO 118 - H MET 68 OK 23 77 - 30 - 3.0/6663=8, 1963/3.6=3...(13) HG2 MET 11 - H MET 68 OK 23 85 - 27 - 1975=5, 1963/3.6=4...(10) HG2 GLN 133 - H MET 68 OK 19 89 - 21 - 4.0/6663=4, 3.5/6668=3...(8) HG3 GLN 133 - H MET 68 OK 18 85 - 21 - 4.0/6663=4, 3.5/6668=3...(7) HG2 GLN 47 - H MET 68 OK 15 98 - 15 - 3.5/6678=2, 1953/2.9=2...(5) HG3 GLN 47 - H MET 68 OK 15 98 - 15 - 3.5/6678=2, 1953/2.9=2...(5) QE MET 46 - H MET 68 poor 9 72 - 12 - 8170/3.6=3, 10486/3.6=2...(4) HG3 GLU 131 - H MET 68 lone 5 81 - 7 - Peak 6675 from nnoeabs.peaks (2.54, 7.07, 117.96 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.97: * HG3 MET 68 + H MET 68 OK 97 100 - 97 - 4.4=82, 3.3/1991=26...(18) HB2 ASP 13 - H MET 68 OK 17 72 - 24 - 10952=7, 1.8/10953=4...(7) HB2 ASP 16 - H MET 68 lone 2 62 - 2 - Peak 6676 from nnoeabs.peaks (1.91, 7.07, 117.96 ppm; 4.16 A): 3 out of 12 assignments used, quality = 0.98: * QE MET 68 + H MET 68 OK 92 100 - 92 - 1991=46, 3.3/1983=28...(19) HB3 LEU 69 + H MET 68 OK 54 100 - 54 - 4.0/6677=21, 4.6/6678=11...(12) HB ILE 136 + H MET 68 OK 50 98 - 51 - ~8436=9, 1965/3.6=6...(18) HB2 PRO 118 - H MET 68 OK 25 68 - 38 - 3.0/6663=10, 1.8/6674=4...(15) HB ILE 101 - H MET 68 OK 23 96 - 24 - ~8436=4, 9168/2.9=4...(9) HB2 LYS 24 - H MET 68 OK 17 94 - 18 - 11324/9798=3, 1952/2.9=2...(8) HB3 ARG 89 - H MET 68 OK 13 94 - 14 - 1965/3.6=2, 1955/2.9=1...(4) HB2 LYS 86 - H MET 68 OK 11 89 - 12 - 6689/4.3=2, 1955/2.9=2...(5) HG13 ILE 83 - H MET 68 poor 10 94 - 10 - 8409/3.6=1, 1955/2.9=1 HB3 ARG 140 - H MET 68 poor 7 62 - 10 - ~1955=1, 1965/3.6=1 HB3 GLN 111 - H MET 68 lone 5 89 - 5 - HB2 MET 59 - H MET 68 lone 4 77 - 5 - 1955/2.9=1 Peak 6677 from nnoeabs.peaks (8.63, 7.07, 117.96 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.88: * H LEU 69 + H MET 68 OK 82 100 - 82 - 4.3=53, 6660/3.6=14...(16) H LEU 42 + H MET 68 OK 30 98 - 30 - 1966/3.6=6, 1956/2.9=6...(8) Peak 6678 from nnoeabs.peaks (7.49, 7.07, 117.96 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.87: * H TYR 70 + H MET 68 OK 79 100 - 79 - 4.0/6677=26, 1930/3.6=26...(17) HD1 TRP 88 + H MET 68 OK 19 94 - 20 - 5.0/6668=7, 1930/3.6=4...(6) HE ARG 49 + H MET 68 OK 14 99 - 14 - 2.9/9828=5, 6696/4.3=3...(4) HE21 GLN 47 + H MET 68 OK 14 99 - 14 - 1930/3.6=3, 3.5/6674=2...(5) HE22 GLN 25 - H MET 68 lone 5 85 - 6 - 8393/6663=1 Peak 6679 from nnoeabs.peaks (8.63, 8.63, 118.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 69 + H LEU 69 OK 100 100 - 100 Peak 6680 from nnoeabs.peaks (3.82, 8.63, 118.02 ppm; 3.99 A): 6 out of 6 assignments used, quality = 0.91: * HA LEU 66 + H LEU 69 OK 70 100 - 70 - 1879=25, 3.6/6660=20...(13) HB2 SER 100 + H LEU 69 OK 30 94 - 32 - 8465/4.7=8, 8462/5.0=6...(9) HD2 PRO 118 + H LEU 69 OK 28 98 - 28 - 6663/4.3=7, 1960/4.4=3...(8) HA GLN 133 + H LEU 69 OK 23 89 - 26 - 6663/4.3=4, 6699/4.0=3...(8) HA THR 110 + H LEU 69 OK 13 81 - 16 - 8465/4.7=5, 8462/5.0=4...(6) HA3 GLY 50 + H LEU 69 OK 12 100 - 12 - 8465/4.7=4, 8462/5.0=2...(5) Peak 6681 from nnoeabs.peaks (7.29, 8.63, 118.02 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.81: * H PHE 67 + H LEU 69 OK 81 100 - 81 - 6660=37, 3.6/6677=26...(14) HZ2 TRP 17 - H LEU 69 lone 9 96 - 9 - 6664/4.3=3, 11388/4.0=2...(4) QD TYR 115 - H LEU 69 poor 7 62 - 11 - 6664/4.3=3, 11388/4.0=2 QE PHE 106 - H LEU 69 lone 5 89 - 6 - 6664/4.3=1, ~9921=1, 10195/3.6=1 Peak 6682 from nnoeabs.peaks (4.19, 8.63, 118.02 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.97: * HA PHE 67 + H LEU 69 OK 94 100 - 94 - 1930/4.0=43, 2.8/6681=39...(16) HA PHE 43 + H LEU 69 OK 49 99 - 50 - 4.9/909=13, 2.8/6324=10...(12) HA CYS 121 - H LEU 69 OK 25 92 - 27 - 4.9/1999=8, 6700/4.0=5...(7) Peak 6683 from nnoeabs.peaks (7.07, 8.63, 118.02 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.93: * H MET 68 + H LEU 69 OK 88 100 - 88 - 4.3=64, 3.6/6660=16...(17) QD TYR 70 + H LEU 69 OK 28 81 - 35 - 4.4/6703=14, 5.0/6720=11...(7) QE PHE 67 + H LEU 69 OK 23 72 - 32 - 6.1/6681=7, 4.4/8448=7...(10) Peak 6684 from nnoeabs.peaks (3.84, 8.63, 118.02 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: * HA MET 68 + H LEU 69 OK 100 100 - 100 - 3.6=100 HA LEU 72 + H LEU 69 OK 61 94 - 65 - 3.0/6694=10, ~2007=9...(23) HB2 SER 127 - H LEU 69 OK 28 100 - 28 - 1.8/6690=3, 10361/4.4=3...(12) HA ALA 104 - H LEU 69 OK 25 100 - 25 - 1956=3, 10203/4.0=3...(10) HA GLN 133 - H LEU 69 OK 18 89 - 21 - 10311/4.0=3, 9613/4.4=2...(5) HB2 SER 100 - H LEU 69 OK 16 81 - 20 - 3313/2.9=3, 8462/5.0=3...(8) HD2 PRO 118 - H LEU 69 OK 13 72 - 19 - 1960/4.4=3, 6671/4.3=2...(4) Peak 6685 from nnoeabs.peaks (1.66, 8.63, 118.02 ppm; 3.95 A): 2 out of 13 assignments used, quality = 0.96: * HB2 MET 68 + H LEU 69 OK 92 100 - 92 - 4.4=73, 3.6/6677=21...(14) HB VAL 71 + H LEU 69 OK 47 99 - 48 - 3.8/6720=18, 2.1/8467=10...(10) HB2 LEU 95 - H LEU 69 OK 33 99 - 33 - 3.1/8466=10, 3.1/938=5...(11) HG13 ILE 136 - H LEU 69 OK 26 92 - 28 - 1951/3.6=4, 2.9/6689=4...(11) HG2 ARG 89 - H LEU 69 OK 12 99 - 12 - 9893/4.7=3, 2.8/6692=2...(4) HG2 ARG 124 - H LEU 69 OK 11 100 - 11 - 9893/4.7=1, 11070/8466=1...(4) HB2 LYS 114 - H LEU 69 poor 10 81 - 12 - 3.0/6690=2, 3743/2.9=1...(4) HD2 LYS 48 - H LEU 69 lone 8 99 - 8 - 3.6/6693=2, 9893/4.7=1 HG2 ARG 140 - H LEU 69 lone 8 94 - 8 - 9893/4.7=1, 1958/3.6=1 HD3 LYS 48 - H LEU 69 lone 6 81 - 8 - 3.6/6693=2, 9893/4.7=1 HB2 PRO 57 - H LEU 69 lone 6 77 - 8 - 2086/6720=1, 2085/3.6=1 HD3 LYS 93 - H LEU 69 lone 6 81 - 8 - 9934/4.7=2 HB2 ARG 145 - H LEU 69 lone 3 94 - 3 - Peak 6686 from nnoeabs.peaks (1.82, 8.63, 118.02 ppm; 3.65 A): 6 out of 6 assignments used, quality = 0.94: * HB3 MET 68 + H LEU 69 OK 83 100 - 83 - 4.4=58, 1.8/1966=22...(8) HB3 LEU 72 + H LEU 69 OK 36 62 - 58 - 1.8/6694=11, ~2007=7...(19) HB VAL 80 + H LEU 69 OK 20 96 - 20 - 1974=3, 1962/4.4=3...(6) HB2 ARG 141 + H LEU 69 OK 18 100 - 18 - 1974=4, 1962/4.4=4...(5) HD3 LYS 36 + H LEU 69 OK 11 100 - 11 - 1952/3.6=3, 1962/4.4=2...(4) HB2 MET 11 + H LEU 69 OK 10 92 - 11 - 1952/3.6=3, 1962/4.4=3 Peak 6687 from nnoeabs.peaks (2.43, 8.63, 118.02 ppm; 6.80 A): 2 out of 10 assignments used, quality = 0.98: * HG2 MET 68 + H LEU 69 OK 95 100 - 95 - 1.8/6688=39, 4.4/6677=36...(21) HB3 PRO 33 + H LEU 69 OK 48 99 - 49 - 1963/4.4=10, 1975/4.3=10...(8) HG2 MET 11 - H LEU 69 OK 32 85 - 38 - 1963/4.4=8, 1953/3.6=7...(9) HG2 GLN 133 - H LEU 69 OK 28 89 - 31 - 4.0/6680=6, 1953/3.6=5...(11) HB3 PRO 118 - H LEU 69 OK 26 77 - 34 - 3.0/6680=8, 1963/4.4=5...(10) HG3 GLN 133 - H LEU 69 OK 26 85 - 30 - 4.0/6680=6, 1953/3.6=4...(10) HG2 GLN 47 - H LEU 69 OK 25 98 - 26 - 1953/3.6=4, 3.5/6696=3...(9) HG3 GLN 47 - H LEU 69 OK 25 98 - 26 - 1953/3.6=4, 3.5/6696=3...(9) QE MET 46 - H LEU 69 OK 21 72 - 29 - 10492/5.0=5, 9930/4.7=4...(9) HG3 GLU 131 - H LEU 69 OK 13 81 - 16 - 10396/6720=2...(6) Peak 6688 from nnoeabs.peaks (2.54, 8.63, 118.02 ppm; 5.78 A): 1 out of 3 assignments used, quality = 0.95: * HG3 MET 68 + H LEU 69 OK 95 100 - 95 - 1983/4.3=38, 2.9/1966=33...(23) HB2 ASP 13 - H LEU 69 OK 21 72 - 29 - 10952/4.3=13, 1954/3.6=5...(5) HB2 ASP 16 - H LEU 69 lone 3 62 - 4 - Peak 6689 from nnoeabs.peaks (1.91, 8.63, 118.02 ppm; 3.47 A): 2 out of 12 assignments used, quality = 0.98: HB3 LEU 69 + H LEU 69 OK 91 100 - 92 - 4.0=68, 1.8/6691=17...(21) * QE MET 68 + H LEU 69 OK 72 100 - 72 - 1998=19, 1991/4.3=15...(19) HB ILE 136 - H LEU 69 OK 31 98 - 32 - 4602/3.6=3, 1965/4.4=3...(14) HB ILE 101 - H LEU 69 OK 19 96 - 20 - 2002/2.9=2, 9168/3.6=2...(11) HB2 LYS 86 - H LEU 69 OK 17 89 - 20 - 2685/4.0=3, 2.9/6691=3...(10) HB3 ARG 89 - H LEU 69 OK 13 94 - 14 - 2039/4.7=2, 2002/2.9=2...(6) HB2 LYS 24 - H LEU 69 OK 12 94 - 13 - 2002/2.9=1 HG13 ILE 83 - H LEU 69 OK 10 94 - 11 - 6706/4.0=2, 10760/4.0=1 HB3 GLN 111 - H LEU 69 lone 9 89 - 10 - 2047/5.0=2, 2039/4.7=1...(5) HB2 PRO 118 - H LEU 69 poor 8 68 - 13 - 3.0/6680=4, 1955/3.6=2...(5) HB3 ARG 140 - H LEU 69 lone 5 62 - 8 - HB2 MET 59 - H LEU 69 lone 4 77 - 5 - Peak 6690 from nnoeabs.peaks (4.00, 8.63, 118.02 ppm; 3.69 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 69 + H LEU 69 OK 100 100 - 100 - 2.9=100 HA GLU 122 - H LEU 69 OK 30 100 - 30 - 1999=7, 2006/4.0=3...(14) HB3 SER 127 - H LEU 69 OK 17 85 - 20 - 1.8/6684=4, 4326/3.6=2...(8) HA MET 113 - H LEU 69 OK 17 100 - 17 - 2037/4.7=3, 2045/5.0=2...(7) HB3 SER 100 - H LEU 69 OK 13 68 - 20 - 1.8/6680=6, ~3313=2...(9) HA LYS 114 - H LEU 69 OK 12 100 - 12 - 2045/5.0=1, 2012/4.0=1 HB2 SER 138 - H LEU 69 OK 10 100 - 10 - 2012/4.0=2, 2037/4.7=2...(5) HB3 SER 138 - H LEU 69 OK 10 100 - 10 - 2012/4.0=2, 2037/4.7=2...(5) HB2 SER 103 - H LEU 69 lone 3 68 - 4 - Peak 6691 from nnoeabs.peaks (1.38, 8.63, 118.02 ppm; 3.53 A): 2 out of 7 assignments used, quality = 0.93: * HB2 LEU 69 + H LEU 69 OK 91 100 - 91 - 4.0=71, 3.2/6695=15...(17) HG LEU 132 + H LEU 69 OK 22 96 - 23 - 2.1/8467=5, 2001/2.9=3...(9) HB3 LEU 39 - H LEU 69 OK 20 94 - 21 - 4.3/6287=6, 3.0/10754=3...(9) HG2 LYS 86 - H LEU 69 OK 18 94 - 19 - 2001/2.9=3, 2022/4.0=3...(9) HB2 ARG 109 - H LEU 69 OK 16 100 - 16 - 11115/4.0=5, 2001/2.9=2...(7) HG2 ARG 49 - H LEU 69 OK 12 100 - 12 - 3.9/6696=2, 2001/2.9=2...(7) HB VAL 82 - H LEU 69 lone 7 77 - 9 - 2038/4.7=1, 2022/4.0=1...(6) Peak 6692 from nnoeabs.peaks (1.90, 8.63, 118.02 ppm; 3.47 A): 2 out of 12 assignments used, quality = 0.98: * HB3 LEU 69 + H LEU 69 OK 91 100 - 91 - 4.0=68, 1.8/6691=17...(21) QE MET 68 + H LEU 69 OK 72 100 - 72 - 1998=19, 1991/4.3=15...(19) HB ILE 136 - H LEU 69 OK 30 94 - 32 - 1965/4.4=3, 4602/3.6=3...(14) HB ILE 101 - H LEU 69 OK 20 99 - 20 - 9168/3.6=2, 2002/2.9=2...(11) HB2 LYS 86 - H LEU 69 OK 16 81 - 19 - 2.9/6691=3, 2685/4.0=2...(10) HB3 ARG 89 - H LEU 69 OK 14 98 - 14 - 2039/4.7=2, 2002/2.9=2...(6) HB2 LYS 24 - H LEU 69 OK 13 98 - 13 - 2009/2.9=1 HG13 ILE 83 - H LEU 69 poor 10 89 - 11 - 6706/4.0=2 HB3 GLN 111 - H LEU 69 lone 9 94 - 10 - 2047/5.0=2, 2039/4.7=1...(5) HB3 ARG 140 - H LEU 69 lone 6 72 - 8 - HB3 LYS 93 - H LEU 69 lone 4 68 - 6 - HB2 MET 59 - H LEU 69 lone 3 68 - 5 - Peak 6693 from nnoeabs.peaks (1.86, 8.63, 118.02 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.93: * HG LEU 69 + H LEU 69 OK 88 100 - 88 - 4.6=47, 2.1/6695=21...(16) HB3 LYS 76 + H LEU 69 OK 32 100 - 32 - 2003/2.9=5, 2040/4.7=5...(11) HB3 LYS 85 + H LEU 69 OK 11 100 - 11 - 2003/2.9=2, 2015/4.0=2...(6) HB2 LYS 48 - H LEU 69 lone 9 89 - 10 - 2003/2.9=1, 2015/4.0=1...(4) HB3 GLU 28 - H LEU 69 lone 9 100 - 9 - 2024/4.0=2, 2015/4.0=2...(6) HB2 LYS 36 - H LEU 69 poor 9 72 - 12 - 662/3.6=1, 3.6/6686=1...(4) HB3 LYS 48 - H LEU 69 lone 5 62 - 8 - HB2 ARG 144 - H LEU 69 lone 4 77 - 5 - 10513/6681=1 Peak 6694 from nnoeabs.peaks (1.17, 8.63, 118.02 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.96: * QD1 LEU 69 + H LEU 69 OK 89 100 - 89 - 4.7=50, 2.1/6695=22...(18) HB2 LEU 72 + H LEU 69 OK 67 100 - 67 - 2008/2.9=8, 1.8/6686=8...(24) HG2 LYS 76 - H LEU 69 OK 37 100 - 38 - 3.0/6693=6, 2004/2.9=5...(11) QG2 THR 92 - H LEU 69 OK 13 77 - 16 - 10084/3.6=4, 2008/2.9=2...(5) QD1 LEU 26 - H LEU 69 poor 10 72 - 13 - 8441/4.3=2, 10561/1879=2 Peak 6695 from nnoeabs.peaks (1.01, 8.63, 118.02 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.94: * QD2 LEU 69 + H LEU 69 OK 85 100 - 85 - 5.0=35, 2.1/2036=20...(17) QD2 LEU 116 + H LEU 69 OK 57 100 - 57 - 6709/4.0=10, 2005/2.9=9...(13) Peak 6696 from nnoeabs.peaks (7.49, 8.63, 118.02 ppm; 3.66 A): 3 out of 5 assignments used, quality = 0.93: * H TYR 70 + H LEU 69 OK 91 100 - 91 - 4.0=74, 9923/4.7=14...(18) HD1 TRP 88 + H LEU 69 OK 14 94 - 15 - 9399/10285=3, 9887/5.0=3...(6) HE ARG 49 + H LEU 69 OK 11 99 - 11 - 9879/4.0=2, 2006/2.9=2...(5) HE21 GLN 47 - H LEU 69 lone 8 99 - 8 - 6678/4.3=2, 9879/4.0=1 HE22 GLN 25 - H LEU 69 lone 4 85 - 4 - 8393/1879=1 Peak 6697 from nnoeabs.peaks (8.30, 8.63, 118.02 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.93: * H VAL 71 + H LEU 69 OK 93 100 - 93 - 1957/3.6=38, 6720=37...(19) H ASN 128 - H LEU 69 OK 24 92 - 26 - 1957/3.6=6, 6715/4.0=4...(8) H LEU 64 - H LEU 69 OK 10 94 - 11 - 6715/4.0=3, 1957/3.6=3...(4) H THR 18 - H LEU 69 lone 8 98 - 8 - 6715/4.0=4, 1957/3.6=1 Peak 6698 from nnoeabs.peaks (7.49, 7.49, 118.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 70 + H TYR 70 OK 100 100 - 100 Peak 6699 from nnoeabs.peaks (3.82, 7.49, 118.24 ppm; 4.30 A): 6 out of 6 assignments used, quality = 0.92: * HA LEU 66 + H TYR 70 OK 75 100 - 75 - 4.0/9906=18, 1879/4.0=17...(18) HB2 SER 100 + H TYR 70 OK 28 94 - 29 - 8462/4.8=7, 8465/9923=5...(7) HA GLN 133 + H TYR 70 OK 25 89 - 28 - 6680/4.0=3, 10311/4.6=3...(11) HD2 PRO 118 + H TYR 70 OK 20 98 - 21 - 6680/4.0=4, 8462/4.8=3...(6) HA THR 110 + H TYR 70 OK 13 81 - 16 - 8462/4.8=5, 8465/9923=3...(7) HA3 GLY 50 + H TYR 70 OK 12 100 - 12 - 8462/4.8=3, 8465/9923=2...(5) Peak 6700 from nnoeabs.peaks (4.19, 7.49, 118.24 ppm; 4.58 A): 3 out of 3 assignments used, quality = 0.90: * HA PHE 67 + H TYR 70 OK 86 100 - 86 - 1930=34, 6718/4.1=21...(15) HA PHE 43 + H TYR 70 OK 21 99 - 21 - 9215/9210=6, 6682/4.0=4...(7) HA CYS 121 + H TYR 70 OK 13 92 - 14 - 4.9/2006=4, 6718/4.1=3 Peak 6701 from nnoeabs.peaks (7.07, 7.49, 118.24 ppm; 6.37 A): 3 out of 3 assignments used, quality = 0.99: * H MET 68 + H TYR 70 OK 93 100 - 93 - 3.6/1930=42, 6677/4.0=36...(19) QD TYR 70 + H TYR 70 OK 81 81 - 100 - 4.4=100 QE PHE 67 + H TYR 70 OK 47 72 - 64 - 5.6/1930=32, ~8492=18...(8) Peak 6702 from nnoeabs.peaks (3.84, 7.49, 118.24 ppm; 4.23 A): 4 out of 7 assignments used, quality = 0.93: * HA MET 68 + H TYR 70 OK 75 100 - 75 - 3.6/6703=23, 1957/4.1=23...(14) HA LEU 72 + H TYR 70 OK 47 94 - 50 - 2.9/6716=14, 3.0/6708=8...(10) HA ALA 104 + H TYR 70 OK 30 100 - 30 - 10203=4, 6719/4.1=4...(9) HB2 SER 127 + H TYR 70 OK 30 100 - 30 - 4323/4.1=6, 8506/8483=3...(10) HA GLN 133 - H TYR 70 OK 21 89 - 24 - 10311/4.6=3, 6719/4.1=2...(10) HB2 SER 100 - H TYR 70 OK 16 81 - 20 - 8462/4.8=4, 3313/3.6=3...(7) HD2 PRO 118 - H TYR 70 poor 9 72 - 13 - 8462/4.8=2, 6684/4.0=1 Peak 6703 from nnoeabs.peaks (8.63, 7.49, 118.24 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.91: * H LEU 69 + H TYR 70 OK 86 100 - 86 - 4.0=63, 6720/4.1=12...(17) H LEU 42 + H TYR 70 OK 36 98 - 37 - 2044/4.8=5, 1999/3.6=5...(13) Peak 6704 from nnoeabs.peaks (4.00, 7.49, 118.24 ppm; 5.02 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 69 + H TYR 70 OK 100 100 - 100 - 3.6=100 HA GLU 122 - H TYR 70 OK 32 100 - 32 - 2006=8, 1999/4.0=6...(9) HA MET 113 - H TYR 70 OK 31 100 - 31 - 9309/8488=7, 2045/4.8=5...(10) HB3 SER 127 - H TYR 70 OK 23 85 - 27 - 1.8/6702=6, 4328/4.1=6...(8) HB2 SER 138 - H TYR 70 OK 17 100 - 17 - 2012/4.6=3, 2045/4.8=3...(7) HB3 SER 138 - H TYR 70 OK 17 100 - 17 - 2012/4.6=3, 2045/4.8=3...(7) HB3 SER 100 - H TYR 70 OK 14 68 - 22 - 1.8/6699=7, 2045/4.8=4...(6) HA LYS 114 - H TYR 70 OK 13 100 - 13 - 2045/4.8=2, 6690/4.0=2...(5) HB2 SER 103 - H TYR 70 lone 3 68 - 5 - 10154/4.6=1 Peak 6705 from nnoeabs.peaks (1.38, 7.49, 118.24 ppm; 4.21 A): 2 out of 7 assignments used, quality = 0.96: * HB2 LEU 69 + H TYR 70 OK 94 100 - 94 - 4.6=75, 3.2/9923=26...(11) HB3 LEU 39 + H TYR 70 OK 33 94 - 35 - 3.0/6711=7, 4.3/6716=7...(14) HG LEU 132 - H TYR 70 OK 26 96 - 27 - 2.1/8482=4, 6691/4.0=3...(8) HB2 ARG 109 - H TYR 70 OK 22 100 - 23 - 11115/4.6=6, 2046/4.8=3...(7) HG2 LYS 86 - H TYR 70 OK 18 94 - 19 - 2022/4.6=3, 2001/3.6=3...(6) HG2 ARG 49 - H TYR 70 OK 18 100 - 18 - 3.0/10669=3, 3.0/9803=3...(6) HB VAL 82 - H TYR 70 OK 15 77 - 20 - 2.1/11597=7, 2046/4.8=2...(7) Peak 6706 from nnoeabs.peaks (1.90, 7.49, 118.24 ppm; 3.83 A): 2 out of 12 assignments used, quality = 0.95: * HB3 LEU 69 + H TYR 70 OK 87 100 - 87 - 4.6=56, 3.2/9923=21...(14) QE MET 68 + H TYR 70 OK 62 100 - 62 - 8455/4.1=15, 1998/4.0=13...(20) HB ILE 136 - H TYR 70 OK 35 94 - 37 - 2.5/8481=6, ~8479=5...(13) HG13 ILE 83 - H TYR 70 OK 24 89 - 27 - 3.8/10774=10...(3) HB ILE 101 - H TYR 70 OK 15 99 - 15 - 2002/3.6=2, 2047/4.8=2...(4) HB3 ARG 89 - H TYR 70 OK 13 98 - 13 - 2047/4.8=2, 2002/3.6=2...(6) HB2 LYS 86 - H TYR 70 OK 12 81 - 15 - 2685/4.6=2, 2.9/6705=2...(5) HB2 LYS 24 - H TYR 70 OK 10 98 - 10 - 9902/4.1=2, 2009/3.6=1 HB3 GLN 111 - H TYR 70 lone 9 94 - 10 - 2047/4.8=2, 2002/3.6=1 HB3 LYS 93 - H TYR 70 lone 6 68 - 9 - ~11040=2, 3.4/11256=1 HB3 ARG 140 - H TYR 70 lone 5 72 - 6 - HB2 MET 59 - H TYR 70 lone 4 68 - 6 - Peak 6707 from nnoeabs.peaks (1.86, 7.49, 118.24 ppm; 4.03 A): 4 out of 8 assignments used, quality = 0.89: * HG LEU 69 + H TYR 70 OK 76 100 - 76 - 2.1/9923=28, 2.1/6709=23...(10) HB3 LYS 76 + H TYR 70 OK 38 100 - 38 - 3.0/6708=6, 4.0/8489=6...(11) HB3 LYS 85 + H TYR 70 OK 16 100 - 16 - 3.9/6716=3, 2015/4.6=2...(8) HB3 GLU 28 + H TYR 70 OK 11 100 - 11 - ~9937=2, 2048/4.8=2...(6) HB2 LYS 48 - H TYR 70 poor 10 89 - 11 - 3.6/11256=2, 6693/4.0=1...(7) HB2 LYS 36 - H TYR 70 lone 6 72 - 9 - 6693/4.0=1, 2003/3.6=1...(5) HB3 LYS 48 - H TYR 70 lone 5 62 - 8 - 3.6/11256=2, 3.6/11256=1 HB2 ARG 144 - H TYR 70 lone 4 77 - 5 - 10514/8488=1 Peak 6708 from nnoeabs.peaks (1.17, 7.49, 118.24 ppm; 4.07 A): 3 out of 5 assignments used, quality = 0.97: * QD1 LEU 69 + H TYR 70 OK 87 100 - 87 - 9923=34, 2.1/6709=24...(18) HB2 LEU 72 + H TYR 70 OK 56 100 - 56 - 3.4/6716=12, 6694/4.0=8...(14) HG2 LYS 76 + H TYR 70 OK 44 100 - 44 - 3.0/6707=7, 2049/4.8=6...(12) QG2 THR 92 - H TYR 70 OK 20 77 - 26 - 11578/2.9=5, 9891/9906=3...(10) QD1 LEU 26 - H TYR 70 OK 15 72 - 21 - 10577/9906=3...(7) Peak 6709 from nnoeabs.peaks (1.01, 7.49, 118.24 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.89: * QD2 LEU 69 + H TYR 70 OK 70 100 - 70 - 4.8=29, 2.1/9923=16...(14) QD2 LEU 116 + H TYR 70 OK 63 100 - 63 - 9403=9, 2.1/9399=9...(19) Peak 6710 from nnoeabs.peaks (4.33, 7.49, 118.24 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 70 + H TYR 70 OK 100 100 - 100 - 2.9=100 HA PRO 12 - H TYR 70 OK 41 100 - 41 - ~9937=10, 2063/3.6=6...(11) HA ILE 56 - H TYR 70 poor 8 62 - 12 - 4604/4.4=2, ~1458=2...(6) Peak 6711 from nnoeabs.peaks (3.15, 7.49, 118.24 ppm; 3.56 A): 1 out of 4 assignments used, quality = 0.99: * HB2 TYR 70 + H TYR 70 OK 99 100 - 99 - 3.6=98, 1.8/6712=22...(7) HA LEU 39 - H TYR 70 OK 34 96 - 36 - 3.6/6716=5, 2072/3.6=5...(14) HA VAL 80 - H TYR 70 OK 21 72 - 29 - ~8761=6, ~8761=3...(11) HB2 TRP 17 - H TYR 70 OK 11 96 - 11 - 2054/2.9=3, 2072/3.6=2...(5) Peak 6712 from nnoeabs.peaks (2.73, 7.49, 118.24 ppm; 3.56 A): 1 out of 6 assignments used, quality = 0.99: * HB3 TYR 70 + H TYR 70 OK 99 100 - 99 - 3.6=99, 1.8/6711=22...(6) HB2 PHE 38 - H TYR 70 OK 29 100 - 29 - 4.5/8490=11, 2055/2.9=4...(8) HB3 MET 46 - H TYR 70 OK 13 92 - 14 - 10497/4.8=3, 2055/2.9=2...(6) HB3 GLU 120 - H TYR 70 lone 9 100 - 9 - 2055/2.9=2, 2065/3.6=2...(4) HB2 ASN 96 - H TYR 70 lone 8 89 - 9 - 2055/2.9=2, 2065/3.6=1 HB2 ASN 84 - H TYR 70 lone 5 72 - 7 - 4.7/6716=2, 6725/4.1=1 Peak 6715 from nnoeabs.peaks (8.30, 7.49, 118.24 ppm; 3.45 A): 3 out of 4 assignments used, quality = 0.89: * H VAL 71 + H TYR 70 OK 86 100 - 86 - 4.1=61, 3.9/8483=17...(15) H ASN 128 + H TYR 70 OK 12 92 - 13 - 7597/3.6=2, 6697/4.0=2...(8) H THR 18 + H TYR 70 OK 12 98 - 12 - 2068/3.6=3, 2076/3.6=3...(4) H LEU 64 - H TYR 70 lone 9 94 - 10 - 2092/8483=2, 2058/2.9=1...(4) Peak 6716 from nnoeabs.peaks (8.57, 7.49, 118.24 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 72 + H TYR 70 OK 86 100 - 86 - 3.4/6715=29, 4.3/8483=29...(17) H ASP 40 + H TYR 70 OK 55 98 - 56 - 6287/4.0=12, 6732/4.1=9...(18) H LYS 85 - H TYR 70 OK 22 94 - 23 - 6732/4.1=5, 3.9/6707=3...(7) Peak 6717 from nnoeabs.peaks (8.30, 8.30, 122.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 71 + H VAL 71 OK 100 100 - 100 Peak 6718 from nnoeabs.peaks (4.19, 8.30, 122.72 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.64: * HA PHE 67 + H VAL 71 OK 60 100 - 60 - 4.9/1957=20, 1930/4.1=20...(8) HA PHE 43 + H VAL 71 OK 10 99 - 10 - 6700/4.1=4, 972/4.4=3 HA CYS 121 - H VAL 71 poor 9 92 - 10 - 6700/4.1=3, 8503/2.9=2...(4) Peak 6719 from nnoeabs.peaks (3.84, 8.30, 122.72 ppm; 3.39 A): 3 out of 7 assignments used, quality = 0.94: * HA MET 68 + H VAL 71 OK 80 100 - 80 - 1957=22, 8439/3.9=18...(19) HA LEU 72 + H VAL 71 OK 56 94 - 60 - 2.9/6732=17, 3.6/6755=11...(13) HB2 SER 127 + H VAL 71 OK 34 100 - 34 - 4323=5, 1.8/4328=5...(11) HA ALA 104 - H VAL 71 OK 29 100 - 29 - 1957=4, 8506/3.9=4...(9) HA GLN 133 - H VAL 71 OK 20 89 - 22 - 9620/4.0=3, 8506/3.9=3...(7) HD2 PRO 118 - H VAL 71 poor 8 72 - 11 - 8508/4.0=2, ~8533=1...(4) HB2 SER 100 - H VAL 71 lone 6 81 - 7 - 6702/4.1=1 Peak 6720 from nnoeabs.peaks (8.63, 8.30, 122.72 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.82: * H LEU 69 + H VAL 71 OK 75 100 - 75 - 3.6/1957=23, 4.0/6715=19...(17) H LEU 42 + H VAL 71 OK 27 98 - 28 - 6703/4.1=8, 6305/3.4=6...(9) Peak 6721 from nnoeabs.peaks (4.00, 8.30, 122.72 ppm; 6.80 A): 2 out of 9 assignments used, quality = 0.96: * HA LEU 69 + H VAL 71 OK 91 100 - 91 - 4.9/1957=43, 2007/3.4=39...(13) HB3 SER 127 + H VAL 71 OK 54 85 - 63 - 1.8/4323=11, ~8502=10...(17) HA GLU 122 - H VAL 71 OK 32 100 - 32 - 2006/4.1=10, 2007/3.4=8...(4) HA MET 113 - H VAL 71 OK 27 100 - 27 - 6704/4.1=5, 6736/3.4=5...(7) HB2 SER 138 - H VAL 71 OK 21 100 - 21 - 6736/3.4=4, 6704/4.1=3...(6) HB3 SER 138 - H VAL 71 OK 20 100 - 20 - 6736/3.4=3, 6704/4.1=3...(6) HA LYS 114 - H VAL 71 OK 19 100 - 19 - 6736/3.4=4, 6753/6755=3...(5) HB2 SER 103 - H VAL 71 OK 10 68 - 15 - 4.6/6733=9, 6736/3.4=2 HB3 SER 100 - H VAL 71 poor 9 68 - 14 - 6704/4.1=3, ~8502=2...(4) Peak 6722 from nnoeabs.peaks (7.49, 8.30, 122.72 ppm; 3.42 A): 2 out of 5 assignments used, quality = 0.87: * H TYR 70 + H VAL 71 OK 85 100 - 85 - 4.1=59, 8483/3.9=16...(15) HD1 TRP 88 + H VAL 71 OK 15 94 - 16 - 9399/8494=3, 8522/3.9=3...(6) HE21 GLN 47 - H VAL 71 lone 8 99 - 8 - 2052/3.6=2 HE ARG 49 - H VAL 71 lone 8 99 - 8 - 2052/3.6=1, 9907/4.0=1 HE22 GLN 25 - H VAL 71 lone 7 85 - 9 - 3.5/10929=2, 3.5/10930=2 Peak 6723 from nnoeabs.peaks (4.33, 8.30, 122.72 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 70 + H VAL 71 OK 100 100 - 100 - 3.6=100 HA PRO 12 - H VAL 71 OK 28 100 - 28 - 6710/4.1=8, 2063/4.4=7...(5) HA ILE 56 - H VAL 71 poor 7 62 - 12 - 4604/5.0=3, 2063/4.4=2...(4) Peak 6724 from nnoeabs.peaks (3.15, 8.30, 122.72 ppm; 3.92 A): 3 out of 4 assignments used, quality = 0.93: * HB2 TYR 70 + H VAL 71 OK 85 100 - 85 - 4.4=69, 1.8/6725=23...(6) HA LEU 39 + H VAL 71 OK 41 96 - 42 - 3.6/6732=8, 3.0/8494=7...(14) HA VAL 80 + H VAL 71 OK 24 72 - 33 - 8501/2.9=10, 8505/3.9=5...(9) HB2 TRP 17 - H VAL 71 lone 10 96 - 10 - 2054/3.6=3, 2072/4.4=2...(4) Peak 6725 from nnoeabs.peaks (2.73, 8.30, 122.72 ppm; 3.70 A): 4 out of 6 assignments used, quality = 0.87: * HB3 TYR 70 + H VAL 71 OK 79 100 - 79 - 4.4=58, 3.6/6715=19...(8) HB2 PHE 38 + H VAL 71 OK 24 100 - 24 - 8504/3.9=7, 2055/3.6=4...(8) HB3 MET 46 + H VAL 71 OK 11 92 - 12 - 2055/3.6=2, 2065/4.4=2...(6) HB3 GLU 120 + H VAL 71 OK 10 100 - 10 - 2055/3.6=2, 8504/3.9=2...(6) HB2 ASN 96 - H VAL 71 lone 9 89 - 10 - 3.5/8526=2, 2055/3.6=1...(5) HB2 ASN 84 - H VAL 71 poor 8 72 - 11 - 4.7/6732=2, 2560/3.4=1...(4) Peak 6726 from nnoeabs.peaks (7.08, 8.30, 122.72 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 70 + H VAL 71 OK 100 100 - 100 - 5.0=100 H MET 68 + H VAL 71 OK 77 81 - 94 - 2.9/1957=41, 3.6/6718=28...(17) Peak 6728 from nnoeabs.peaks (2.97, 8.30, 122.72 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 71 + H VAL 71 OK 100 100 - 100 - 2.9=100 HA VAL 82 - H VAL 71 OK 23 85 - 27 - 2475/3.4=4, ~9982=3...(13) HB3 TYR 27 - H VAL 71 OK 20 100 - 20 - 2087/3.8=3, 2099/4.0=3...(10) HB3 ASN 128 - H VAL 71 OK 17 72 - 24 - 1.8/4335=4, 3.0/4329=3...(10) HB2 ASP 30 - H VAL 71 lone 6 96 - 7 - Peak 6729 from nnoeabs.peaks (1.67, 8.30, 122.72 ppm; 3.12 A): 2 out of 13 assignments used, quality = 0.98: * HB VAL 71 + H VAL 71 OK 95 100 - 95 - 3.8=56, 2.1/6730=36...(22) HB2 MET 68 + H VAL 71 OK 55 99 - 55 - 3.0/1957=15, 4.2/8455=9...(16) HG13 ILE 136 - H VAL 71 OK 23 77 - 30 - 1.8/8494=7, 2.1/8493=5...(10) HG2 ARG 124 - H VAL 71 OK 10 100 - 10 - 3.0/8495=2, 6741/3.4=2 HB2 ARG 145 - H VAL 71 lone 9 100 - 9 - 1.8/8495=2, 6741/3.4=1...(5) HB2 LEU 95 - H VAL 71 lone 9 100 - 9 - 2079/2.9=1, 3.1/8493=1 HG2 ARG 89 - H VAL 71 lone 5 100 - 5 - HG2 ARG 140 - H VAL 71 lone 4 81 - 5 - HD2 LYS 48 - H VAL 71 lone 4 100 - 4 - HD3 LYS 48 - H VAL 71 lone 3 94 - 3 - HD2 LYS 93 - H VAL 71 lone 3 77 - 4 - HD3 LYS 93 - H VAL 71 lone 2 62 - 4 - HB2 LYS 114 - H VAL 71 lone 2 62 - 3 - Peak 6730 from nnoeabs.peaks (0.24, 8.30, 122.72 ppm; 2.78 A): 1 out of 1 assignment used, quality = 0.87: * QG2 VAL 71 + H VAL 71 OK 87 100 - 87 - 2092=40, 2080/2.9=20...(20) Peak 6731 from nnoeabs.peaks (0.58, 8.30, 122.72 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.97: * QG1 VAL 71 + H VAL 71 OK 95 100 - 95 - 4.0=52, 2.1/6730=38...(21) QD1 LEU 66 + H VAL 71 OK 37 96 - 38 - 9898/2.9=12, 9906/4.1=9...(9) QD1 LEU 132 - H VAL 71 OK 26 98 - 27 - 2081/2.9=5, 2090/3.8=4...(8) QG2 ILE 58 - H VAL 71 OK 24 99 - 25 - 10580=4, 3.2/11448=4...(10) QD1 ILE 56 - H VAL 71 lone 5 62 - 8 - 1479/3.6=2 Peak 6732 from nnoeabs.peaks (8.57, 8.30, 122.72 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 72 + H VAL 71 OK 98 100 - 98 - 3.4=93, 4.3/6730=19...(14) H ASP 40 - H VAL 71 OK 41 98 - 42 - 2097/3.9=6, 2103/4.0=5...(15) H LYS 85 - H VAL 71 OK 20 94 - 21 - 6949/2.9=4, 2091/3.8=2...(7) Peak 6733 from nnoeabs.peaks (8.00, 8.30, 122.72 ppm; 6.56 A): 2 out of 5 assignments used, quality = 0.99: * H VAL 73 + H VAL 71 OK 98 100 - 98 - 9940/4.0=39, 6754/3.6=37...(20) H ALA 104 + H VAL 71 OK 63 100 - 63 - 6750/3.4=11, 2059/3.6=10...(17) H GLN 47 - H VAL 71 OK 28 96 - 29 - 2059/3.6=5, 4.6/6725=4...(10) H ARG 140 - H VAL 71 OK 27 100 - 27 - 6750/3.4=5, 9905/3.9=4...(6) H ARG 145 - H VAL 71 OK 19 81 - 23 - 9905/3.9=6, 9906/4.0=5...(7) Peak 6734 from nnoeabs.peaks (8.57, 8.57, 117.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 72 + H LEU 72 OK 100 100 - 100 Peak 6735 from nnoeabs.peaks (3.84, 8.57, 117.31 ppm; 3.26 A): 2 out of 7 assignments used, quality = 0.99: HA LEU 72 + H LEU 72 OK 94 94 - 100 - 2.9=100 * HA MET 68 + H LEU 72 OK 78 100 - 78 - 1957/3.4=15, 8439/4.3=15...(28) HA ALA 104 - H LEU 72 OK 45 100 - 45 - 2.8/6750=6, 9874=4...(21) HB2 SER 127 - H LEU 72 OK 36 100 - 36 - 4323/3.4=4, 8506/4.3=3...(18) HA GLN 133 - H LEU 72 OK 21 89 - 24 - 9620/4.2=3, 8506/4.3=2...(10) HD2 PRO 118 - H LEU 72 OK 11 72 - 15 - 2.3/8533=2, 8508/4.2=2 HB2 SER 100 - H LEU 72 lone 5 81 - 6 - Peak 6736 from nnoeabs.peaks (4.00, 8.57, 117.31 ppm; 4.47 A): 3 out of 9 assignments used, quality = 0.92: * HA LEU 69 + H LEU 72 OK 83 100 - 83 - 2007=29, 3.6/6716=14...(22) HB3 SER 127 + H LEU 72 OK 38 85 - 44 - 1.8/6744=7, 4328/3.4=6...(15) HA MET 113 + H LEU 72 OK 21 100 - 22 - 6753/3.0=4, 9318/4.9=2...(9) HA LYS 114 - H LEU 72 OK 19 100 - 19 - 6753/3.0=5, ~8199=1...(4) HA GLU 122 - H LEU 72 OK 19 100 - 18 - 2007=6, 6753/3.0=2...(6) HB2 SER 138 - H LEU 72 OK 16 100 - 16 - 6753/3.0=3, ~6753=2...(6) HB3 SER 138 - H LEU 72 OK 16 100 - 15 - 6753/3.0=3, ~6753=2...(6) HB2 SER 103 - H LEU 72 poor 7 68 - 11 - 4.6/6750=7, ~11546=1 HB3 SER 100 - H LEU 72 lone 3 68 - 5 - Peak 6739 from nnoeabs.peaks (8.30, 8.57, 117.31 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 71 + H LEU 72 OK 100 100 - 100 - 3.4=100 H LEU 64 - H LEU 72 OK 24 94 - 25 - 2077/3.6=4, 2098/4.2=4...(8) H ASN 128 - H LEU 72 OK 21 92 - 23 - 2077/3.6=4, 2098/4.2=3...(10) H THR 18 - H LEU 72 lone 9 98 - 9 - ~11273=3, 2077/3.6=2 Peak 6740 from nnoeabs.peaks (2.97, 8.57, 117.31 ppm; 4.84 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 71 + H LEU 72 OK 100 100 - 100 - 3.6=100 HA VAL 82 + H LEU 72 OK 56 85 - 65 - ~10001=18, 2475=12...(17) HB3 TYR 27 - H LEU 72 OK 30 100 - 30 - 2099/4.2=5, 6728/3.4=5...(9) HB3 ASN 128 - H LEU 72 OK 21 72 - 29 - 3.9/6739=5, ~4335=4...(9) HB2 ASP 30 - H LEU 72 OK 12 96 - 12 - 8422/8454=2, 6728/3.4=2...(5) Peak 6741 from nnoeabs.peaks (1.67, 8.57, 117.31 ppm; 3.48 A): 2 out of 13 assignments used, quality = 0.98: * HB VAL 71 + H LEU 72 OK 94 100 - 94 - 4.6=43, 2.1/2097=32...(26) HB2 MET 68 + H LEU 72 OK 73 99 - 74 - 4.2/8454=13, 3.0/6744=8...(35) HG13 ILE 136 - H LEU 72 OK 36 77 - 46 - 2.1/6748=5, ~8494=4...(28) HG2 ARG 124 - H LEU 72 OK 31 100 - 32 - 3.0/6746=4, 4224/3.4=3...(15) HB2 ARG 145 - H LEU 72 OK 22 100 - 22 - 4945/3.0=3, 1.8/6747=3...(10) HB2 LEU 95 - H LEU 72 OK 15 100 - 15 - ~9063=2, ~9063=1...(6) HB2 LYS 114 - H LEU 72 OK 11 62 - 17 - ~8578=9, ~8581=2...(4) HG2 ARG 140 - H LEU 72 lone 8 81 - 10 - 4732/3.0=2, 4.9/6750=1, ~4741=1 HG2 ARG 89 - H LEU 72 lone 5 100 - 5 - HD2 LYS 48 - H LEU 72 lone 4 100 - 4 - HD3 LYS 48 - H LEU 72 lone 4 94 - 4 - HD3 LYS 93 - H LEU 72 lone 3 62 - 5 - HD2 LYS 93 - H LEU 72 lone 3 77 - 4 - Peak 6742 from nnoeabs.peaks (0.24, 8.57, 117.31 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.98: * QG2 VAL 71 + H LEU 72 OK 98 100 - 98 - 4.3=62, 2.1/2103=34...(29) Peak 6743 from nnoeabs.peaks (0.58, 8.57, 117.31 ppm; 3.48 A): 1 out of 5 assignments used, quality = 0.96: * QG1 VAL 71 + H LEU 72 OK 96 100 - 96 - 4.2=56, 2.1/2097=32...(28) QD1 LEU 66 - H LEU 72 OK 35 96 - 36 - 9898/3.6=12, 6731/3.4=5...(9) QD1 LEU 132 - H LEU 72 OK 32 98 - 33 - 9947/5.0=5, 2081/3.6=5...(10) QG2 ILE 58 - H LEU 72 OK 17 99 - 17 - 10580/3.4=4, 2081/3.6=2...(6) QD1 ILE 56 - H LEU 72 poor 6 62 - 10 - ~10604=2 Peak 6744 from nnoeabs.peaks (3.85, 8.57, 117.31 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 72 + H LEU 72 OK 100 100 - 100 - 2.9=100 HA MET 68 + H LEU 72 OK 72 94 - 76 - 1957/3.4=14, 8439/4.3=13...(28) HA ALA 104 - H LEU 72 OK 39 89 - 44 - 2.8/6750=6, 2117/3.4=4...(21) HB2 SER 127 - H LEU 72 OK 34 96 - 36 - 4323/3.4=4, 1.8/6736=3...(18) Peak 6745 from nnoeabs.peaks (1.17, 8.57, 117.31 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 72 + H LEU 72 OK 100 100 - 100 - 3.4=100 QD1 LEU 69 + H LEU 72 OK 65 100 - 65 - 9922/3.0=18, 4.1/2007=11...(24) HG2 LYS 76 - H LEU 72 OK 40 100 - 41 - 6759/3.0=6, 2106/2.9=5...(20) QG2 THR 92 - H LEU 72 OK 25 77 - 33 - 10084/2.9=7, 2127/3.4=4...(13) QD1 LEU 26 - H LEU 72 OK 13 72 - 18 - 10577/4.2=2, 2106/2.9=1...(5) Peak 6746 from nnoeabs.peaks (1.81, 8.57, 117.31 ppm; 3.15 A): 1 out of 9 assignments used, quality = 0.96: * HB3 LEU 72 + H LEU 72 OK 96 100 - 96 - 3.4=79, 3.2/2141=14...(44) HB3 MET 68 - H LEU 72 OK 38 62 - 61 - 4.2/8454=10, 1.8/6741=7...(29) HB2 ARG 124 - H LEU 72 OK 28 94 - 30 - 6760/3.0=4, 2107/2.9=3...(14) HB3 LYS 24 - H LEU 72 OK 15 81 - 19 - ~11348=2, ~11323=2...(9) HB2 MET 11 - H LEU 72 OK 15 94 - 16 - 2107/2.9=2, 2119/3.4=2, ~2114=1 HD3 LYS 86 - H LEU 72 OK 13 92 - 14 - 5.4/8867=2, 2107/2.9=1 HB VAL 80 - H LEU 72 poor 9 89 - 10 - ~9962=2 HD3 LYS 36 - H LEU 72 lone 7 72 - 10 - 2107/2.9=1 HB2 ARG 141 - H LEU 72 lone 3 62 - 5 - Peak 6747 from nnoeabs.peaks (1.78, 8.57, 117.31 ppm; 2.96 A): 4 out of 9 assignments used, quality = 0.93: * HG LEU 72 + H LEU 72 OK 84 100 - 84 - 5.3=17, 2.1/2141=17...(37) HG2 PRO 57 + H LEU 72 OK 26 100 - 26 - 10592/4.2=3, 2.3/2091=3...(10) HG LEU 39 + H LEU 72 OK 25 77 - 33 - 852=6, 2.1/860=4...(16) HD3 LYS 34 + H LEU 72 OK 22 92 - 24 - 2108/2.9=2, 2120/3.4=2...(12) HD2 LYS 34 - H LEU 72 OK 19 92 - 21 - 2108/2.9=3, 2120/3.4=2...(9) HB3 ARG 145 - H LEU 72 OK 14 94 - 15 - 4953/3.0=2, 1.8/6741=2...(6) HB3 LYS 24 - H LEU 72 OK 10 72 - 14 - ~11348=2, ~11323=2...(5) HB3 MET 59 - H LEU 72 lone 9 94 - 9 - 2108/2.9=2, 2120/3.4=1 HB3 ARG 55 - H LEU 72 lone 3 85 - 4 - 6761/3.0=1 Peak 6748 from nnoeabs.peaks (0.76, 8.57, 117.31 ppm; 2.96 A): 3 out of 5 assignments used, quality = 0.99: * QD2 LEU 72 + H LEU 72 OK 87 100 - 87 - 2141=25, 2.1/2149=16...(36) QD1 LEU 72 + H LEU 72 OK 85 99 - 86 - 4.9=22, 2.1/2141=17...(36) QG2 VAL 73 + H LEU 72 OK 69 96 - 71 - 2179/3.0=19, 9925=12...(27) QD1 ILE 136 - H LEU 72 OK 37 98 - 38 - 9685/4.2=5, 8496/3.6=4...(14) QD1 LEU 108 - H LEU 72 OK 24 62 - 38 - 2149=6, 3.2/8531=4...(21) Peak 6749 from nnoeabs.peaks (0.76, 8.57, 117.31 ppm; 2.96 A): 3 out of 5 assignments used, quality = 0.99: * QD1 LEU 72 + H LEU 72 OK 87 100 - 87 - 4.9=22, 2.1/2141=17...(36) QD2 LEU 72 + H LEU 72 OK 85 99 - 86 - 2141=25, 2.1/2149=16...(36) QG2 VAL 73 + H LEU 72 OK 72 100 - 73 - 2179/3.0=20, 9925=13...(27) QD1 ILE 136 - H LEU 72 OK 38 100 - 38 - 9685/4.2=5, 8496/3.6=4...(15) QD1 LEU 108 - H LEU 72 OK 33 81 - 41 - 2149=7, 2110/2.9=4...(21) Peak 6750 from nnoeabs.peaks (8.00, 8.57, 117.31 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 73 + H LEU 72 OK 100 100 - 100 - 3.0=100 H ALA 104 - H LEU 72 OK 41 100 - 41 - 7220/2.9=5, 2.8/6744=4...(19) H ARG 140 - H LEU 72 OK 17 100 - 17 - 2111/2.9=2, 9909/3.4=2...(6) H GLN 47 - H LEU 72 OK 11 96 - 11 - 2111/2.9=1, 2156/4.9=1...(4) H ARG 145 - H LEU 72 poor 10 81 - 12 - 9905/4.3=1, 4.0/6747=1...(4) Peak 6751 from nnoeabs.peaks (8.22, 8.57, 117.31 ppm; 5.94 A): 2 out of 5 assignments used, quality = 0.99: * H THR 74 + H LEU 72 OK 98 100 - 98 - 2083/3.6=40, 8602/4.3=38...(23) H ILE 136 + H LEU 72 OK 56 98 - 57 - 2083/3.6=10, ~10995=9...(13) H ARG 124 - H LEU 72 OK 38 89 - 43 - 4.8/8530=10, 6768/3.0=8...(11) H GLY 125 - H LEU 72 OK 26 94 - 27 - 4.6/6746=6, 6768/3.0=5...(8) H MET 11 - H LEU 72 poor 9 68 - 13 - 4.0/6746=3, ~13=3, ~13=2 Peak 6752 from nnoeabs.peaks (8.00, 8.00, 116.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 73 + H VAL 73 OK 100 100 - 100 Peak 6753 from nnoeabs.peaks (4.00, 8.00, 116.53 ppm; 4.66 A): 4 out of 9 assignments used, quality = 0.93: * HA LEU 69 + H VAL 73 OK 71 100 - 71 - 2007/3.0=24, 4.1/9922=18...(14) HA LYS 114 + H VAL 73 OK 48 100 - 48 - 3.6/8578=29, 3.6/8581=8...(9) HA MET 113 + H VAL 73 OK 35 100 - 35 - 9319/8579=9...(9) HB3 SER 127 + H VAL 73 OK 31 85 - 36 - 1.8/6758=6, 6736/3.0=6...(10) HB2 SER 138 - H VAL 73 OK 26 100 - 26 - ~9715=3, 4.7/7799=3...(11) HB3 SER 138 - H VAL 73 OK 26 100 - 26 - ~9715=3, 4.7/7799=3...(11) HA GLU 122 - H VAL 73 OK 17 100 - 17 - 2007/3.0=5, 8573/3.9=2...(6) HB2 SER 103 - H VAL 73 lone 5 68 - 7 - 3.0/3387=2, 4.1/6769=1 HB3 SER 100 - H VAL 73 lone 3 68 - 5 - 2037/9922=1 Peak 6754 from nnoeabs.peaks (4.33, 8.00, 116.53 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.73: * HA TYR 70 + H VAL 73 OK 69 100 - 69 - 6771/3.2=22, 3.6/6755=20...(10) HA ILE 56 + H VAL 73 OK 11 62 - 18 - 3.2/10604=10, 6771/3.2=5 HA PRO 12 - H VAL 73 lone 8 100 - 8 - 6771/3.2=3, 6723/6755=2 Peak 6755 from nnoeabs.peaks (8.30, 8.00, 116.53 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.87: * H VAL 71 + H VAL 73 OK 81 100 - 81 - 6732/3.0=24, 3.6/6754=20...(16) H LEU 64 + H VAL 73 OK 21 94 - 23 - 3.0/8572=7, 6739/3.0=6...(6) H ASN 128 + H VAL 73 OK 16 92 - 18 - 6739/3.0=5, 7596/3.6=3...(5) H THR 18 - H VAL 73 lone 5 98 - 5 - 6739/3.0=2, 2058/6754=1 Peak 6757 from nnoeabs.peaks (8.57, 8.00, 116.53 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 72 + H VAL 73 OK 100 100 - 100 - 3.0=100 H ASP 40 - H VAL 73 OK 30 98 - 31 - 2104/3.6=5, 2116/4.4=4...(14) H LYS 85 - H VAL 73 OK 17 94 - 18 - 2104/3.6=3, 2125/4.4=2...(7) Peak 6758 from nnoeabs.peaks (3.85, 8.00, 116.53 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 72 + H VAL 73 OK 100 100 - 100 - 3.6=100 HA MET 68 + H VAL 73 OK 55 94 - 58 - 9918/3.0=14, 2117/4.4=6...(18) HA ALA 104 - H VAL 73 OK 41 89 - 46 - 2.1/3404=9, 3398=7...(15) HB2 SER 127 - H VAL 73 OK 30 96 - 31 - 6744/3.0=5, 1.8/6753=4...(11) Peak 6759 from nnoeabs.peaks (1.17, 8.00, 116.53 ppm; 3.54 A): 3 out of 5 assignments used, quality = 0.98: * HB2 LEU 72 + H VAL 73 OK 91 100 - 91 - 4.4=53, 1.8/6760=17...(30) QD1 LEU 69 + H VAL 73 OK 65 100 - 65 - 9922=15, 8461/3.0=9...(22) HG2 LYS 76 + H VAL 73 OK 54 100 - 54 - 8595/3.9=8, 9943/10001=7...(22) QG2 THR 92 - H VAL 73 OK 23 77 - 30 - 10084/3.6=6, 8595/3.9=3...(12) QD1 LEU 26 - H VAL 73 poor 8 72 - 11 - 8800/10001=2, 6745/3.0=1...(4) Peak 6760 from nnoeabs.peaks (1.81, 8.00, 116.53 ppm; 3.58 A): 2 out of 9 assignments used, quality = 0.94: * HB3 LEU 72 + H VAL 73 OK 91 100 - 91 - 4.4=54, 3.2/2148=15...(31) HB2 ARG 124 + H VAL 73 OK 35 94 - 37 - 4212/3.2=5, 6746/3.0=4...(16) HB3 MET 68 - H VAL 73 OK 23 62 - 37 - ~9918=6, 3.0/6758=6...(11) HB3 LYS 24 - H VAL 73 poor 9 81 - 11 - 6746/3.0=2, 2119/4.4=2...(4) HB2 MET 11 - H VAL 73 lone 9 94 - 9 - 2107/3.6=2, 6746/3.0=2 HD3 LYS 86 - H VAL 73 lone 7 92 - 8 - 6746/3.0=2, 2107/3.6=1 HB2 ARG 141 - H VAL 73 poor 7 62 - 11 - 4.0/7832=2, 4.4/10509=2 HB VAL 80 - H VAL 73 lone 5 89 - 6 - 6746/3.0=1 HD3 LYS 36 - H VAL 73 lone 4 72 - 5 - 2107/3.6=1 Peak 6761 from nnoeabs.peaks (1.78, 8.00, 116.53 ppm; 3.50 A): 7 out of 9 assignments used, quality = 0.94: * HG LEU 72 + H VAL 73 OK 82 100 - 82 - 2.1/2148=18, 3.0/6760=13...(26) HG LEU 39 + H VAL 73 OK 21 77 - 27 - 852/3.0=6, 8134/3.6=4...(8) HG2 PRO 57 + H VAL 73 OK 19 100 - 19 - 6747/3.0=4, 2108/3.6=3...(7) HB3 ARG 145 + H VAL 73 OK 18 94 - 19 - 4953=4, 1.8/4945=3...(8) HD3 LYS 34 + H VAL 73 OK 15 92 - 16 - 6747/3.0=3, 2108/3.6=3...(6) HD2 LYS 34 + H VAL 73 OK 14 92 - 16 - 2108/3.6=3, 6747/3.0=3...(5) HB3 ARG 55 + H VAL 73 OK 12 85 - 14 - 4.0/11456=4, 3.9/6764=2 HB3 MET 59 - H VAL 73 poor 9 94 - 10 - 2108/3.6=2, 2120/4.4=2...(5) HB3 LYS 24 - H VAL 73 lone 6 72 - 9 - 6747/3.0=2, 2129/4.4=1...(4) Peak 6762 from nnoeabs.peaks (0.76, 8.00, 116.53 ppm; 2.80 A): 3 out of 5 assignments used, quality = 0.98: QG2 VAL 73 + H VAL 73 OK 80 96 - 83 - 3.9=36, 2.1/6766=21...(17) * QD2 LEU 72 + H VAL 73 OK 75 100 - 75 - 2141/3.0=12, 2148=12...(25) QD1 LEU 72 + H VAL 73 OK 70 99 - 71 - 2.1/2148=11, 2149/3.0=11...(26) QD1 ILE 136 - H VAL 73 OK 30 98 - 31 - 4635/3.2=4, 3.0/10457=3...(14) QD1 LEU 108 - H VAL 73 OK 17 62 - 27 - 2149/3.0=4, 2156=3...(12) Peak 6763 from nnoeabs.peaks (0.76, 8.00, 116.53 ppm; 2.80 A): 3 out of 5 assignments used, quality = 0.99: QG2 VAL 73 + H VAL 73 OK 83 100 - 83 - 3.9=36, 2.1/6766=21...(18) QD2 LEU 72 + H VAL 73 OK 74 99 - 75 - 2141/3.0=11, 2148=11...(25) * QD1 LEU 72 + H VAL 73 OK 71 100 - 71 - 2149/3.0=11, 2.1/2148=11...(26) QD1 ILE 136 - H VAL 73 OK 31 100 - 31 - 4635/3.2=4, 3.0/10457=3...(15) QD1 LEU 108 - H VAL 73 OK 24 81 - 30 - 2149/3.0=5, 2156=3...(12) Peak 6764 from nnoeabs.peaks (3.19, 8.00, 116.53 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 73 + H VAL 73 OK 100 100 - 100 - 3.0=100 HD3 ARG 144 - H VAL 73 OK 22 100 - 22 - 6776/3.2=2, 3.0/4918=2...(10) HD2 ARG 144 - H VAL 73 OK 21 96 - 21 - 6776/3.2=2, 3.0/4918=2...(10) HD3 ARG 55 - H VAL 73 OK 17 100 - 18 - 2174/4.0=3, 2180/3.9=3...(7) HD2 ARG 55 - H VAL 73 OK 14 89 - 16 - 2174/4.0=2, 2180/3.9=2...(7) HD2 ARG 141 - H VAL 73 lone 6 77 - 7 - Peak 6765 from nnoeabs.peaks (2.12, 8.00, 116.53 ppm; 3.21 A): 2 out of 3 assignments used, quality = 0.96: * HB VAL 73 + H VAL 73 OK 93 100 - 93 - 4.0=52, 2.1/2179=30...(23) HB2 GLU 75 + H VAL 73 OK 50 100 - 50 - 3.9/6769=10, 2208/3.6=10...(11) HG2 GLN 111 - H VAL 73 poor 9 85 - 10 - 2159/3.0=2, 2181/3.9=2...(4) Peak 6766 from nnoeabs.peaks (0.11, 8.00, 116.53 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.97: * QG1 VAL 73 + H VAL 73 OK 97 100 - 97 - 4.0=69, 2.1/2179=35...(27) Peak 6767 from nnoeabs.peaks (0.76, 8.00, 116.53 ppm; 2.80 A): 3 out of 5 assignments used, quality = 0.99: * QG2 VAL 73 + H VAL 73 OK 83 100 - 83 - 3.9=36, 2.1/6766=21...(18) QD2 LEU 72 + H VAL 73 OK 71 96 - 74 - 2141/3.0=11, 2148=11...(25) QD1 LEU 72 + H VAL 73 OK 71 100 - 71 - 2149/3.0=11, 2.1/2148=11...(26) QD1 ILE 136 - H VAL 73 OK 31 100 - 31 - 4635/3.2=4, 3.0/10457=3...(15) QD1 LEU 108 - H VAL 73 OK 28 89 - 31 - 2149/3.0=5, 2156=4...(12) Peak 6768 from nnoeabs.peaks (8.22, 8.00, 116.53 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * H THR 74 + H VAL 73 OK 100 100 - 100 - 3.2=100 H ILE 136 - H VAL 73 OK 30 98 - 30 - 2184/3.9=4, 9680/8579=4...(10) H ARG 124 - H VAL 73 OK 27 89 - 30 - 7557/3.2=7, 4.8/8577=4...(11) H GLY 125 - H VAL 73 OK 18 94 - 20 - 7559/3.2=5, 4.6/6760=3...(10) H MET 11 - H VAL 73 lone 2 68 - 3 - Peak 6769 from nnoeabs.peaks (8.41, 8.00, 116.53 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.88: * H GLU 75 + H VAL 73 OK 86 100 - 86 - 6788=31, 6790/3.2=25...(14) H TYR 117 + H VAL 73 OK 14 81 - 17 - 9389/6754=4, 2112/3.6=3...(7) H SER 103 - H VAL 73 lone 6 72 - 8 - 2112/3.6=2, 3.0/3387=2...(4) H GLY 31 - H VAL 73 lone 4 81 - 5 - 2112/3.6=2, 6783/3.2=1 H LYS 61 - H VAL 73 lone 3 72 - 4 - Peak 6770 from nnoeabs.peaks (8.22, 8.22, 110.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 74 + H THR 74 OK 100 100 - 100 Peak 6771 from nnoeabs.peaks (4.33, 8.22, 110.83 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.69: * HA TYR 70 + H THR 74 OK 64 100 - 64 - 6754/3.2=26, 4.9/2083=22...(11) HA ILE 56 + H THR 74 OK 14 62 - 23 - 4.2/8601=12, ~10604=5...(4) HA PRO 12 - H THR 74 lone 8 100 - 8 - 6754/3.2=3, 2166/4.7=2, ~11680=2 Peak 6772 from nnoeabs.peaks (2.97, 8.22, 110.83 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.85: * HA VAL 71 + H THR 74 OK 77 100 - 77 - 2083=23, 3.2/8602=21...(16) HA VAL 82 + H THR 74 OK 34 85 - 40 - 10009/4.4=10, ~10001=9...(7) HB2 ASP 30 - H THR 74 lone 9 96 - 9 - 6786/3.2=3, ~11474=2, 2190/4.0=1 HB3 TYR 27 - H THR 74 lone 4 100 - 4 - 6786/3.2=1 HB3 ASN 128 - H THR 74 lone 2 72 - 2 - Peak 6773 from nnoeabs.peaks (8.57, 8.22, 110.83 ppm; 5.75 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 72 + H THR 74 OK 98 100 - 98 - 3.6/2083=39, 4.3/8602=36...(23) H ASP 40 - H THR 74 OK 35 98 - 36 - 6757/3.2=10, 9925/4.4=8...(10) H LYS 85 - H THR 74 OK 23 94 - 24 - 6757/3.2=6, 9925/4.4=4...(8) Peak 6774 from nnoeabs.peaks (3.85, 8.22, 110.83 ppm; 5.44 A): 3 out of 4 assignments used, quality = 0.96: * HA LEU 72 + H THR 74 OK 88 100 - 88 - 4.9/2083=28, 2112/3.2=28...(17) HA MET 68 + H THR 74 OK 51 94 - 54 - 8439/8602=17...(15) HB2 SER 127 + H THR 74 OK 40 96 - 41 - 6787/3.2=12, ~6794=6...(12) HA ALA 104 - H THR 74 OK 38 89 - 43 - 6758/3.2=8, 2.8/6775=7...(13) Peak 6775 from nnoeabs.peaks (8.00, 8.22, 110.83 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 73 + H THR 74 OK 100 100 - 100 - 3.2=100 H ALA 104 - H THR 74 OK 22 100 - 22 - 6788/3.2=3, 2157/3.6=3...(10) H ARG 140 - H THR 74 OK 20 100 - 20 - 2157/3.6=3, ~8609=2...(7) H GLN 47 - H THR 74 OK 11 96 - 11 - 2157/3.6=2, 6788/3.2=2...(5) H ARG 145 - H THR 74 lone 6 81 - 7 - 2157/3.6=1 Peak 6776 from nnoeabs.peaks (3.19, 8.22, 110.83 ppm; 4.20 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 73 + H THR 74 OK 100 100 - 100 - 3.6=100 HD3 ARG 144 - H THR 74 OK 22 100 - 22 - 6764/3.2=4, 2180/4.4=3...(9) HD2 ARG 144 - H THR 74 OK 22 96 - 22 - 6764/3.2=4, 2180/4.4=3...(9) HD3 ARG 55 - H THR 74 OK 21 100 - 21 - 2174/4.4=4, 2180/4.4=4...(7) HD2 ARG 55 - H THR 74 OK 16 89 - 18 - 2174/4.4=3, 2180/4.4=3...(7) HD2 ARG 141 - H THR 74 lone 4 77 - 6 - 6764/3.2=1 Peak 6777 from nnoeabs.peaks (2.12, 8.22, 110.83 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.99: * HB VAL 73 + H THR 74 OK 94 100 - 94 - 4.7=41, 2.1/6778=29...(25) HB2 GLU 75 + H THR 74 OK 76 100 - 76 - 2209/3.2=22, ~2217=12...(18) HG2 GLN 111 - H THR 74 OK 11 85 - 12 - 2159/3.6=2, 2181/4.4=2...(6) Peak 6778 from nnoeabs.peaks (0.11, 8.22, 110.83 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.98: * QG1 VAL 73 + H THR 74 OK 98 100 - 98 - 4.4=64, 2.1/2184=32...(27) Peak 6779 from nnoeabs.peaks (0.76, 8.22, 110.83 ppm; 3.03 A): 3 out of 5 assignments used, quality = 0.97: * QG2 VAL 73 + H THR 74 OK 86 100 - 86 - 4.4=34, 2.1/6778=22...(22) QD2 LEU 72 + H THR 74 OK 57 96 - 59 - 2148/3.2=10, 9948/4.4=8...(23) QD1 LEU 72 + H THR 74 OK 55 100 - 56 - 2156/3.2=7, 2.1/2196=6...(23) QD1 ILE 136 - H THR 74 OK 42 100 - 42 - 4635=9, 2.5/4603=5...(13) QD1 LEU 108 - H THR 74 OK 16 89 - 19 - 2156/3.2=4, 2161/3.6=2...(6) Peak 6780 from nnoeabs.peaks (3.40, 8.22, 110.83 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 74 + H THR 74 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 - H THR 74 OK 37 89 - 42 - 8569/4.4=8, 6791/3.2=6...(14) Peak 6781 from nnoeabs.peaks (3.71, 8.22, 110.83 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.97: * HB THR 74 + H THR 74 OK 95 100 - 95 - 4.0=83, 2.1/6782=18...(16) HA ILE 136 + H THR 74 OK 50 92 - 55 - 4591=9, 3.0/4603=6...(20) HA LEU 108 - H THR 74 OK 27 96 - 28 - 10220/4.7=7, 2187/3.0=4...(10) HA ILE 91 - H THR 74 OK 22 68 - 33 - 4.2/11678=10, ~10079=9...(7) HA THR 107 - H THR 74 OK 10 99 - 10 - 2187/3.0=2, 6792/3.2=1 Peak 6782 from nnoeabs.peaks (0.78, 8.22, 110.83 ppm; 2.84 A): 3 out of 5 assignments used, quality = 0.89: * QG2 THR 74 + H THR 74 OK 68 100 - 68 - 4.0=35, 3.0/8610=10...(18) QD2 LEU 126 + H THR 74 OK 46 94 - 49 - 2.1/9496=10, ~9493=8...(14) QD1 LEU 79 + H THR 74 OK 38 100 - 38 - 2.1/8601=7, 2196=6...(11) QD2 LEU 95 - H THR 74 lone 8 96 - 9 - ~11680=2, 6793/3.2=1, 2188/3.0=1 QG1 VAL 80 - H THR 74 lone 4 72 - 6 - 8761/6771=1 Peak 6783 from nnoeabs.peaks (8.41, 8.22, 110.83 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 75 + H THR 74 OK 100 100 - 100 - 3.2=100 H TYR 117 - H THR 74 poor 8 81 - 10 - 6769/3.2=2, 2189/3.0=2...(4) H SER 103 - H THR 74 lone 3 72 - 5 - 4.6/6775=2 H GLY 31 - H THR 74 lone 3 81 - 4 - H LYS 61 - H THR 74 lone 3 72 - 4 - Peak 6784 from nnoeabs.peaks (6.79, 8.22, 110.83 ppm; 4.10 A): 3 out of 3 assignments used, quality = 0.92: * H LYS 76 + H THR 74 OK 84 100 - 84 - 6805/3.2=30, 8552/4.4=22...(17) QE TYR 112 + H THR 74 OK 41 92 - 45 - 6799/3.2=9, 2163/3.6=9...(11) HD21 ASN 96 + H THR 74 OK 12 72 - 17 - 8552/4.4=4, 8554/4.4=4...(6) Peak 6785 from nnoeabs.peaks (8.41, 8.41, 125.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + H GLU 75 OK 100 100 - 100 Peak 6786 from nnoeabs.peaks (2.97, 8.41, 125.14 ppm; 4.22 A): 3 out of 5 assignments used, quality = 0.75: * HA VAL 71 + H GLU 75 OK 61 100 - 61 - 2083/3.2=24, 4.9/2112=13...(8) HA VAL 82 + H GLU 75 OK 25 85 - 29 - ~10002=11, 6772/3.2=9...(5) HB2 ASP 30 + H GLU 75 OK 13 96 - 13 - 1.8/11474=3, 11473=3...(6) HB3 TYR 27 - H GLU 75 lone 5 100 - 5 - 6772/3.2=1 HB3 ASN 128 - H GLU 75 lone 2 72 - 2 - Peak 6787 from nnoeabs.peaks (3.85, 8.41, 125.14 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.91: * HA LEU 72 + H GLU 75 OK 74 100 - 74 - 2112=18, 3.6/6769=16...(17) HB2 SER 127 + H GLU 75 OK 42 96 - 43 - 2208/3.9=8, 2216/3.9=8...(11) HA MET 68 + H GLU 75 OK 25 94 - 26 - 2216/3.9=5, 2208/3.9=5...(9) HA ALA 104 + H GLU 75 OK 22 89 - 25 - 2.8/6788=4, 2208/3.9=3...(10) Peak 6788 from nnoeabs.peaks (8.00, 8.41, 125.14 ppm; 3.94 A): 4 out of 5 assignments used, quality = 0.87: * H VAL 73 + H GLU 75 OK 80 100 - 80 - 6769=28, 3.2/6790=21...(14) H ALA 104 + H GLU 75 OK 20 100 - 20 - 6775/3.2=5, 2.8/6787=4...(6) H ARG 140 + H GLU 75 OK 13 100 - 13 - 6775/3.2=4, 7813/4.7=2 H GLN 47 + H GLU 75 OK 11 96 - 11 - 4.6/6797=3, 6775/3.2=2 H ARG 145 - H GLU 75 lone 4 81 - 5 - 6775/3.2=1 Peak 6789 from nnoeabs.peaks (3.19, 8.41, 125.14 ppm; 4.99 A): 1 out of 6 assignments used, quality = 0.96: * HA VAL 73 + H GLU 75 OK 96 100 - 96 - 3.0/6769=30...(24) HD3 ARG 55 - H GLU 75 OK 18 100 - 18 - 6776/3.2=4, 3.9/11680=4...(6) HD3 ARG 144 - H GLU 75 OK 15 100 - 15 - 6776/3.2=5, ~6776=3...(5) HD2 ARG 55 - H GLU 75 OK 15 89 - 17 - 3.9/11680=4, 6776/3.2=3...(6) HD2 ARG 144 - H GLU 75 OK 15 96 - 15 - 6776/3.2=5, ~6776=3...(5) HD2 ARG 141 - H GLU 75 lone 3 77 - 4 - Peak 6790 from nnoeabs.peaks (8.22, 8.41, 125.14 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.99: * H THR 74 + H GLU 75 OK 99 100 - 99 - 3.2=97, 3.2/6769=11...(15) H ILE 136 - H GLU 75 OK 23 98 - 23 - 2.9/6792=3, 2185/3.6=3...(9) H ARG 124 - H GLU 75 OK 23 89 - 26 - 7557/3.2=6, 3.9/6796=4...(9) H GLY 125 - H GLU 75 OK 17 94 - 18 - 7559/3.2=4, 4.6/6796=3...(7) H MET 11 - H GLU 75 lone 1 68 - 2 - Peak 6791 from nnoeabs.peaks (3.40, 8.41, 125.14 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 74 + H GLU 75 OK 100 100 - 100 - 3.6=100 HB3 TYR 112 - H GLU 75 OK 35 89 - 40 - 2.9/10184=10, 6780/3.2=9...(8) Peak 6792 from nnoeabs.peaks (3.71, 8.41, 125.14 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.94: * HB THR 74 + H GLU 75 OK 91 100 - 91 - 4.7=71, 2.1/6793=20...(14) HA ILE 136 + H GLU 75 OK 31 92 - 34 - 6781/3.2=8, 2187/3.6=6...(11) HA LEU 108 - H GLU 75 OK 22 96 - 23 - 10220/3.9=6, 6781/3.2=4...(7) HA THR 107 - H GLU 75 lone 9 99 - 9 - 9250/3.9=2, 2187/3.6=2 HA ILE 91 - H GLU 75 poor 7 68 - 11 - 6781/3.2=3, 2187/3.6=3 Peak 6793 from nnoeabs.peaks (0.78, 8.41, 125.14 ppm; 3.35 A): 4 out of 5 assignments used, quality = 0.92: * QG2 THR 74 + H GLU 75 OK 76 100 - 76 - 4.3=46, 2.1/2195=15...(11) QD2 LEU 126 + H GLU 75 OK 41 94 - 44 - ~9496=9, 6782/3.2=8...(10) QD1 LEU 79 + H GLU 75 OK 33 100 - 33 - 6782/3.2=7, 2200=6...(9) QD2 LEU 95 + H GLU 75 OK 14 96 - 15 - 2.1/11680=5, ~9066=2...(5) QG1 VAL 80 - H GLU 75 lone 6 72 - 8 - ~9951=1 Peak 6794 from nnoeabs.peaks (3.98, 8.41, 125.14 ppm; 2.88 A): 1 out of 4 assignments used, quality = 0.98: * HA GLU 75 + H GLU 75 OK 98 100 - 98 - 2.9=94, 3.0/2209=16...(13) HB3 SER 127 - H GLU 75 OK 20 85 - 24 - 1.8/6787=5, 2210/3.9=4...(9) HA3 GLY 143 - H GLU 75 lone 5 98 - 5 - 2218/3.9=1 HB3 SER 103 - H GLU 75 lone 3 62 - 5 - 4.6/6788=1 Peak 6795 from nnoeabs.peaks (2.12, 8.41, 125.14 ppm; 2.73 A): 2 out of 3 assignments used, quality = 0.92: * HB2 GLU 75 + H GLU 75 OK 83 100 - 83 - 3.9=35, 1.8/2217=21...(21) HB VAL 73 + H GLU 75 OK 57 100 - 57 - 6777/3.2=8, 4.0/6769=7...(19) HG2 GLN 111 - H GLU 75 lone 6 92 - 6 - 2203/2.9=1 Peak 6796 from nnoeabs.peaks (1.98, 8.41, 125.14 ppm; 2.91 A): 3 out of 7 assignments used, quality = 0.90: * HB3 GLU 75 + H GLU 75 OK 85 100 - 85 - 3.9=42, 1.8/2209=24...(18) HB3 ARG 124 + H GLU 75 OK 25 100 - 25 - 4221/3.2=3, 2204/2.9=3...(13) HB2 GLU 142 + H GLU 75 OK 14 92 - 15 - 2204/2.9=4, 2212/3.9=3...(6) QE MET 59 - H GLU 75 lone 4 72 - 6 - HB VAL 63 - H GLU 75 lone 4 68 - 6 - 2204/2.9=1, 2212/3.9=1 HB2 LYS 34 - H GLU 75 lone 2 72 - 2 - HB3 MET 11 - H GLU 75 lone 1 68 - 2 - Peak 6797 from nnoeabs.peaks (2.20, 8.41, 125.14 ppm; 3.37 A): 4 out of 4 assignments used, quality = 0.94: * HG2 GLU 75 + H GLU 75 OK 89 100 - 90 - 2224=37, 1.8/2231=25...(17) HB2 MET 113 + H GLU 75 OK 26 100 - 27 - 4.7/8622=10, 3.0/11700=4...(8) HB2 MET 46 + H GLU 75 OK 19 100 - 19 - 4.2/10478=5, 2213/3.9=3...(7) HB3 PRO 57 + H GLU 75 OK 12 68 - 18 - 2221/3.9=3, 2213/3.9=3...(7) Peak 6798 from nnoeabs.peaks (2.29, 8.41, 125.14 ppm; 3.27 A): 3 out of 7 assignments used, quality = 0.92: * HG3 GLU 75 + H GLU 75 OK 88 100 - 88 - 2231=33, 1.8/2224=25...(16) HG2 GLU 120 + H GLU 75 OK 24 85 - 29 - 2206/2.9=5, 2214/3.9=4...(9) HG3 GLU 81 + H GLU 75 OK 10 100 - 10 - 2206/2.9=2, 6810/4.6=2...(5) HG3 GLU 142 - H GLU 75 poor 9 62 - 15 - 3.0/6796=3, 2206/2.9=2...(7) HG3 GLN 62 - H GLU 75 lone 6 100 - 6 - 2206/2.9=1 HG2 GLN 62 - H GLU 75 lone 6 100 - 6 - 2206/2.9=1 HG2 GLU 131 - H GLU 75 lone 2 62 - 4 - Peak 6799 from nnoeabs.peaks (6.79, 8.41, 125.14 ppm; 2.94 A): 2 out of 3 assignments used, quality = 0.79: * H LYS 76 + H GLU 75 OK 73 100 - 73 - 6805=34, 3.6/6794=15...(15) QE TYR 112 + H GLU 75 OK 24 92 - 27 - 6784/3.2=4, 2207/2.9=4...(9) HD21 ASN 96 - H GLU 75 lone 5 72 - 6 - 6784/3.2=1 Peak 6800 from nnoeabs.peaks (6.79, 6.79, 115.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 76 + H LYS 76 OK 100 100 - 100 Peak 6801 from nnoeabs.peaks (3.85, 6.79, 115.56 ppm; 5.91 A): 3 out of 4 assignments used, quality = 0.97: * HA LEU 72 + H LYS 76 OK 83 100 - 83 - 2112/4.6=26, 2114/4.4=23...(23) HB2 SER 127 + H LYS 76 OK 55 96 - 58 - 2208/4.4=14, 2216/4.4=14...(13) HA MET 68 + H LYS 76 OK 55 94 - 58 - 4.6/8414=11, 3.7/8415=10...(15) HA ALA 104 - H LYS 76 OK 31 89 - 35 - 2208/4.4=6, 2216/4.4=6...(12) Peak 6802 from nnoeabs.peaks (3.19, 6.79, 115.56 ppm; 4.26 A): 5 out of 6 assignments used, quality = 0.93: * HA VAL 73 + H LYS 76 OK 89 100 - 89 - 3.2/8552=30, 2163=27...(18) HD3 ARG 55 + H LYS 76 OK 15 100 - 15 - 2249/4.0=3, 2174/8552=2...(4) HD2 ARG 55 + H LYS 76 OK 11 89 - 13 - 2249/4.0=2, 2174/8552=2...(4) HD3 ARG 144 + H LYS 76 OK 11 100 - 11 - 6789/4.6=2, 8804/8823=2...(5) HD2 ARG 144 + H LYS 76 OK 11 96 - 11 - 6789/4.6=2, 8804/8823=2...(5) HD2 ARG 141 - H LYS 76 lone 3 77 - 3 - Peak 6803 from nnoeabs.peaks (8.22, 6.79, 115.56 ppm; 4.73 A): 2 out of 5 assignments used, quality = 0.96: * H THR 74 + H LYS 76 OK 93 100 - 93 - 3.2/6805=35, 6784=31...(18) H ARG 124 + H LYS 76 OK 42 89 - 47 - 4.8/8650=15, 4.2/6812=8...(13) H ILE 136 - H LYS 76 OK 39 98 - 40 - 10464/6.1=9, 6790/4.6=5...(17) H GLY 125 - H LYS 76 OK 31 94 - 33 - 9489/4.0=5, 4.6/6808=5...(13) H MET 11 - H LYS 76 lone 2 68 - 3 - Peak 6804 from nnoeabs.peaks (3.40, 6.79, 115.56 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.89: * HA THR 74 + H LYS 76 OK 84 100 - 84 - 3.6/6805=34, 8681/4.6=25...(11) HB3 TYR 112 + H LYS 76 OK 30 89 - 34 - 2.7/4655=12, 8569/8552=7...(8) Peak 6805 from nnoeabs.peaks (8.41, 6.79, 115.56 ppm; 3.11 A): 2 out of 5 assignments used, quality = 0.80: * H GLU 75 + H LYS 76 OK 77 100 - 77 - 6799=36, 6794/3.6=17...(15) H TYR 117 + H LYS 76 OK 10 81 - 12 - 2201/3.6=3, 2209/4.4=3 H LYS 61 - H LYS 76 lone 4 72 - 6 - 3.7/6817=2 H SER 103 - H LYS 76 lone 2 72 - 3 - H GLY 31 - H LYS 76 lone 2 81 - 2 - Peak 6806 from nnoeabs.peaks (3.98, 6.79, 115.56 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 75 + H LYS 76 OK 100 100 - 100 - 3.6=100 HB3 SER 127 - H LYS 76 OK 22 85 - 26 - 2210/4.4=6, 2218/4.4=6...(7) HA3 GLY 143 - H LYS 76 lone 7 98 - 7 - 2218/4.4=2, 2210/4.4=1 HB3 SER 103 - H LYS 76 lone 3 62 - 5 - Peak 6807 from nnoeabs.peaks (2.12, 6.79, 115.56 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.95: * HB2 GLU 75 + H LYS 76 OK 86 100 - 86 - 4.4=51, 1.8/2223=25...(15) HB VAL 73 + H LYS 76 OK 67 100 - 67 - 2.1/8552=26, 3.0/6802=13...(11) HG2 GLN 111 - H LYS 76 lone 8 92 - 8 - 2203/3.6=2, 2219/4.4=1 Peak 6808 from nnoeabs.peaks (1.98, 6.79, 115.56 ppm; 3.47 A): 3 out of 7 assignments used, quality = 0.92: * HB3 GLU 75 + H LYS 76 OK 88 100 - 88 - 4.4=50, 1.8/2215=23...(16) HB3 ARG 124 + H LYS 76 OK 22 100 - 22 - 6796/4.6=3, 2204/3.6=3...(9) HB2 GLU 142 + H LYS 76 OK 17 92 - 18 - 2204/3.6=5, 2212/4.4=4...(6) HB VAL 63 - H LYS 76 poor 7 68 - 10 - ~9875=2, 11555/5.1=1...(4) QE MET 59 - H LYS 76 lone 5 72 - 7 - HB2 LYS 34 - H LYS 76 lone 3 72 - 5 - 10584/10877=2 HB3 MET 11 - H LYS 76 lone 2 68 - 3 - Peak 6809 from nnoeabs.peaks (2.20, 6.79, 115.56 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.94: * HG2 GLU 75 + H LYS 76 OK 94 100 - 94 - 2230=34, 2225/3.6=31...(21) HB2 MET 113 - H LYS 76 OK 27 100 - 27 - 6797/4.6=5, 2205/3.6=5...(9) HB2 MET 46 - H LYS 76 OK 18 100 - 18 - 2213/4.4=5, 2221/4.4=4...(4) HB3 PRO 57 - H LYS 76 OK 15 68 - 22 - 2221/4.4=5, 2213/4.4=5...(7) Peak 6810 from nnoeabs.peaks (2.29, 6.79, 115.56 ppm; 4.45 A): 2 out of 7 assignments used, quality = 0.96: * HG3 GLU 75 + H LYS 76 OK 93 100 - 93 - 2237=31, 3.0/2223=28...(23) HG2 GLU 120 + H LYS 76 OK 34 85 - 40 - 2206/3.6=7, 2214/4.4=7...(11) HG3 GLU 81 - H LYS 76 OK 32 100 - 32 - 8790/8823=8, 11553/5.1=4...(11) HG2 GLU 131 - H LYS 76 OK 18 62 - 28 - ~4462=4, ~4462=4...(10) HG3 GLU 142 - H LYS 76 OK 13 62 - 20 - 3.0/6808=5, 2222/4.4=4...(6) HG2 GLN 62 - H LYS 76 OK 10 100 - 10 - 2206/3.6=2, 2214/4.4=1...(4) HG3 GLN 62 - H LYS 76 OK 10 100 - 10 - 2206/3.6=2, 2214/4.4=1...(4) Peak 6811 from nnoeabs.peaks (4.15, 6.79, 115.56 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 76 + H LYS 76 OK 100 100 - 100 - 3.0=100 HA LEU 126 - H LYS 76 OK 34 100 - 34 - 3.9/8620=4, 4270/4.0=4...(17) HA GLU 120 - H LYS 76 OK 12 81 - 15 - 8647/4.4=2, 3.8/6810=2...(4) HA3 GLY 125 - H LYS 76 OK 12 100 - 11 - 3.0/6803=2, 2251/4.0=1 HB2 SER 44 - H LYS 76 OK 11 92 - 12 - 2263/4.0=2, 2251/4.0=2...(6) HA GLU 131 - H LYS 76 OK 11 89 - 13 - 4439/4.0=2, ~4448=1...(6) HB3 SER 44 - H LYS 76 OK 11 92 - 12 - 2263/4.0=2, 2251/4.0=2...(6) Peak 6812 from nnoeabs.peaks (1.46, 6.79, 115.56 ppm; 3.19 A): 3 out of 6 assignments used, quality = 0.95: * HB2 LYS 76 + H LYS 76 OK 85 100 - 85 - 4.0=49, 1.8/6813=14...(23) HB3 LYS 123 + H LYS 76 OK 42 94 - 44 - 3.0/8650=9, 2240/3.0=5...(19) HG LEU 126 + H LYS 76 OK 41 98 - 42 - 2.1/8620=7, 2240/3.0=5...(20) HB3 LEU 66 - H LYS 76 OK 14 94 - 15 - 3.0/9855=4, 2240/3.0=3...(4) HG2 LYS 48 - H LYS 76 lone 7 85 - 8 - 2240/3.0=1, 2264/4.0=1 HG3 LYS 86 - H LYS 76 lone 4 85 - 5 - 2240/3.0=1, 2264/4.0=1 Peak 6813 from nnoeabs.peaks (1.86, 6.79, 115.56 ppm; 3.51 A): 2 out of 8 assignments used, quality = 0.96: * HB3 LYS 76 + H LYS 76 OK 93 100 - 93 - 4.0=65, 1.8/6812=18...(26) HG LEU 69 + H LYS 76 OK 37 100 - 38 - 2.1/6814=7, 2241/3.0=5...(14) HB3 LYS 85 - H LYS 76 OK 28 99 - 28 - 2241/3.0=6, 2253/4.0=4...(11) HB2 LYS 93 - H LYS 76 OK 15 62 - 23 - 2.9/2284=4, 2241/3.0=3...(10) HB3 GLU 28 - H LYS 76 lone 8 100 - 8 - 2241/3.0=2, 2253/4.0=1 HB2 LYS 48 - H LYS 76 lone 7 81 - 9 - 2241/3.0=1, 2.9/6812=1 HB2 ARG 144 - H LYS 76 lone 5 68 - 7 - 6825/4.6=1, 4.0/6802=1 HB2 LYS 36 - H LYS 76 lone 2 62 - 3 - Peak 6814 from nnoeabs.peaks (1.16, 6.79, 115.56 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.96: * HG2 LYS 76 + H LYS 76 OK 92 100 - 92 - 5.1=33, 1.8/2284=17...(32) QD1 LEU 69 + H LYS 76 OK 49 100 - 50 - 2242/3.0=7, 2.1/6813=6...(20) HB2 LEU 72 - H LYS 76 OK 40 100 - 40 - 3.2/8620=6, 3.0/6801=4...(18) QG2 THR 92 - H LYS 76 OK 27 85 - 31 - 8636/4.4=4, 2242/3.0=4...(12) QD1 LEU 26 - H LYS 76 OK 10 62 - 16 - 10877=8, 8800/8823=1 Peak 6815 from nnoeabs.peaks (1.53, 6.79, 115.56 ppm; 3.12 A): 2 out of 8 assignments used, quality = 0.97: * HG3 LYS 76 + H LYS 76 OK 83 100 - 83 - 5.1=23, 1.8/2273=16...(32) HD2 LYS 76 + H LYS 76 OK 82 99 - 83 - 1.8/6817=17, 6.1=14...(37) HB2 LYS 123 - H LYS 76 OK 32 81 - 39 - 3.0/8650=9, 1.8/6812=7...(15) HG2 LYS 93 - H LYS 76 OK 22 100 - 22 - 2284=4, 2244/3.0=3...(8) HG3 LYS 85 - H LYS 76 OK 21 94 - 22 - 2243/3.0=4, 3.0/6813=3...(7) QB ALA 135 - H LYS 76 OK 18 99 - 18 - 3.7/6803=2, 2244/3.0=2...(6) HB2 LEU 29 - H LYS 76 OK 16 100 - 16 - 350/4.0=3, 2243/3.0=2...(6) HG3 PRO 57 - H LYS 76 lone 6 89 - 7 - 2.3/6809=2 Peak 6816 from nnoeabs.peaks (1.53, 6.79, 115.56 ppm; 3.12 A): 2 out of 10 assignments used, quality = 0.97: * HD2 LYS 76 + H LYS 76 OK 83 100 - 83 - 1.8/6817=17, 6.1=14...(37) HG3 LYS 76 + H LYS 76 OK 82 99 - 83 - 5.1=23, 1.8/2273=16...(31) HB2 LYS 123 - H LYS 76 OK 23 62 - 37 - 3.0/8650=9, 1.8/6812=7...(13) HG2 LYS 93 - H LYS 76 OK 21 99 - 21 - 2284=4, 2244/3.0=3...(8) HG3 LYS 85 - H LYS 76 OK 16 81 - 20 - 2243/3.0=3, 3.0/6813=3...(7) QB ALA 135 - H LYS 76 OK 15 92 - 17 - 3.7/6803=2, 2244/3.0=2...(4) HB2 LEU 29 - H LYS 76 OK 14 94 - 15 - 350/4.0=3, 2243/3.0=2...(6) HG2 ARG 55 - H LYS 76 lone 6 72 - 8 - 9861/6.1=2, 3.0/6802=2 HG3 PRO 57 - H LYS 76 lone 5 72 - 6 - 2.3/6809=2 HG3 ARG 55 - H LYS 76 lone 4 62 - 7 - 3.0/6802=2, 3.0/6802=1 Peak 6817 from nnoeabs.peaks (1.34, 6.79, 115.56 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.95: * HD3 LYS 76 + H LYS 76 OK 93 100 - 93 - 6.1=25, 2245/3.0=24...(32) HB3 ARG 49 + H LYS 76 OK 31 100 - 31 - 2245/3.0=8, 2257/4.0=6...(6) QB ALA 60 - H LYS 76 OK 15 94 - 15 - 2245/3.0=3, 2269/4.0=2...(8) Peak 6820 from nnoeabs.peaks (7.36, 6.79, 115.56 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.71: * H GLY 77 + H LYS 76 OK 71 100 - 71 - 6822=40, 8683/3.6=13...(13) QD PHE 43 - H LYS 76 lone 8 85 - 9 - 2272/4.0=3, 2248/3.0=2 Peak 6821 from nnoeabs.peaks (7.36, 7.36, 102.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 77 + H GLY 77 OK 100 100 - 100 Peak 6822 from nnoeabs.peaks (6.79, 7.36, 102.81 ppm; 3.08 A): 2 out of 3 assignments used, quality = 0.74: * H LYS 76 + H GLY 77 OK 70 100 - 70 - 6820=41, 3.6/8683=13...(13) QE TYR 112 + H GLY 77 OK 13 92 - 15 - 2238/3.6=4, 2262/4.6=3...(5) HD21 ASN 96 - H GLY 77 lone 4 72 - 5 - Peak 6823 from nnoeabs.peaks (4.15, 7.36, 102.81 ppm; 3.65 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 76 + H GLY 77 OK 100 100 - 100 - 3.6=100 HA LEU 126 - H GLY 77 OK 36 100 - 36 - 4.0/8673=16, 3.9/8672=6...(6) HB3 SER 44 - H GLY 77 poor 10 92 - 11 - 2251/4.6=2, 2263/4.6=2...(5) HB2 SER 44 - H GLY 77 poor 10 92 - 11 - 2251/4.6=2, 2263/4.6=2...(5) HA GLU 131 - H GLY 77 lone 7 89 - 8 - 4439/4.6=2, 4.2/8679=1...(4) HA3 GLY 125 - H GLY 77 lone 6 100 - 6 - 2251/4.6=1, 4299/8673=1...(4) HA GLU 120 - H GLY 77 lone 5 81 - 6 - 4013/4.6=2, 6811/4.6=1 Peak 6824 from nnoeabs.peaks (1.46, 7.36, 102.81 ppm; 4.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + H GLY 77 OK 100 100 - 100 - 4.6=100 HG LEU 126 + H GLY 77 OK 73 98 - 75 - 2.1/8673=37, ~10258=19...(11) HB3 LYS 123 - H GLY 77 OK 29 94 - 30 - 4117/3.6=9, 6812/4.6=7...(7) HB3 LEU 66 - H GLY 77 OK 22 94 - 23 - ~8686=8, 2240/3.6=4...(6) HG2 LYS 48 - H GLY 77 lone 7 85 - 9 - 2240/3.6=2, 2264/4.6=2...(4) HG3 LYS 86 - H GLY 77 lone 7 85 - 8 - 2240/3.6=2, 2264/4.6=2 Peak 6825 from nnoeabs.peaks (1.86, 7.36, 102.81 ppm; 5.42 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 76 + H GLY 77 OK 100 100 - 100 - 4.6=100 HB2 ARG 144 - H GLY 77 OK 33 68 - 48 - 3.0/6833=6, 1.8/8677=6...(16) HG LEU 69 - H GLY 77 OK 32 100 - 32 - 2241/3.6=9, 6813/4.6=7...(8) HB3 LYS 85 - H GLY 77 OK 30 99 - 31 - 2241/3.6=9, 2253/4.6=7...(8) HB2 LYS 93 - H GLY 77 OK 16 62 - 26 - 2241/3.6=4, 2253/4.6=4...(8) HB3 GLU 28 - H GLY 77 OK 11 100 - 11 - 2241/3.6=3, 2253/4.6=3 HB2 LYS 48 - H GLY 77 poor 9 81 - 11 - 2253/4.6=2, 2241/3.6=2...(4) HB2 LYS 36 - H GLY 77 lone 3 62 - 5 - 3.6/8677=1 Peak 6827 from nnoeabs.peaks (1.53, 7.36, 102.81 ppm; 4.21 A): 7 out of 8 assignments used, quality = 0.95: * HG3 LYS 76 + H GLY 77 OK 64 100 - 64 - 3.0/2272=29, 5.1/6820=20...(8) HD2 LYS 76 + H GLY 77 OK 60 99 - 60 - 3.5/2272=26, 2296/3.6=14...(7) HB2 LEU 29 + H GLY 77 OK 21 100 - 21 - 350/4.6=5, 2267/4.6=3...(6) HG3 LYS 85 + H GLY 77 OK 20 94 - 21 - 2243/3.6=5, 2618/4.6=4...(6) HG2 LYS 93 + H GLY 77 OK 20 100 - 20 - 2244/3.6=4, 2256/4.6=4...(5) HB2 LYS 123 + H GLY 77 OK 18 81 - 23 - 4105/3.6=5, 4109/4.6=5...(6) QB ALA 135 + H GLY 77 OK 17 99 - 17 - 2244/3.6=2, 10442/8674=2...(6) HG3 PRO 57 - H GLY 77 lone 4 89 - 4 - Peak 6832 from nnoeabs.peaks (3.51, 7.36, 102.81 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 77 + H GLY 77 OK 100 100 - 100 - 3.0=100 HB2 PHE 45 - H GLY 77 OK 14 100 - 14 - 2344/3.0=5, ~1034=3...(5) Peak 6833 from nnoeabs.peaks (4.35, 7.36, 102.81 ppm; 3.19 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 77 + H GLY 77 OK 100 100 - 100 - 3.0=100 HA ARG 144 - H GLY 77 OK 16 94 - 16 - 2341/3.0=3, 3.0/8677=2...(5) HA ASP 65 - H GLY 77 lone 9 100 - 9 - 2341/3.0=2, 10820/4.6=1 HB THR 51 - H GLY 77 lone 8 89 - 9 - 8210/3.0=2, ~8214=1, ~8214=1 Peak 6834 from nnoeabs.peaks (8.34, 7.36, 102.81 ppm; 3.08 A): 1 out of 2 assignments used, quality = 0.58: * H GLY 78 + H GLY 77 OK 58 100 - 58 - 6836=45, 11722/4.6=10...(5) H ASP 13 - H GLY 77 lone 3 96 - 3 - Peak 6835 from nnoeabs.peaks (8.34, 8.34, 110.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 78 + H GLY 78 OK 100 100 - 100 Peak 6836 from nnoeabs.peaks (7.36, 8.34, 110.56 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.60: * H GLY 77 + H GLY 78 OK 60 100 - 60 - 6834=47, 4.6/11722=10...(5) QD PHE 43 - H GLY 78 lone 4 85 - 5 - 2343/3.6=1, 2339/3.6=1 Peak 6837 from nnoeabs.peaks (3.51, 8.34, 110.56 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 77 + H GLY 78 OK 100 100 - 100 - 3.6=100 HB2 PHE 45 - H GLY 78 lone 10 100 - 10 - 2344/3.6=6, 6832/4.5=3 Peak 6838 from nnoeabs.peaks (4.35, 8.34, 110.56 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 77 + H GLY 78 OK 100 100 - 100 - 3.6=100 HA ASP 65 - H GLY 78 lone 9 100 - 9 - 2341/3.6=2, 6833/4.5=1 HB THR 51 - H GLY 78 lone 8 89 - 9 - 8210/3.6=3, ~8216=2, 6833/4.5=1 HA ARG 144 - H GLY 78 lone 7 94 - 8 - 2341/3.6=4, 6833/4.5=3 Peak 6839 from nnoeabs.peaks (3.08, 8.34, 110.56 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HA2 GLY 78 + H GLY 78 OK 100 100 - 100 - 3.0=100 HD3 ARG 49 - H GLY 78 OK 41 100 - 41 - 2352/3.0=7, 3.7/8697=4...(19) HA TYR 119 - H GLY 78 OK 10 100 - 10 - 6844/4.4=2, 2352/3.0=2...(4) HB3 TRP 88 - H GLY 78 poor 8 72 - 11 - 3.0/8694=3, 2352/3.0=2...(4) HB3 ASP 30 - H GLY 78 lone 1 72 - 2 - Peak 6840 from nnoeabs.peaks (4.28, 8.34, 110.56 ppm; 3.78 A): 1 out of 9 assignments used, quality = 1.00: * HA3 GLY 78 + H GLY 78 OK 100 100 - 100 - 3.0=100 HA ARG 49 - H GLY 78 OK 31 94 - 33 - 3.0/8697=5, 2349/3.0=5...(14) HA LEU 95 - H GLY 78 OK 29 92 - 32 - ~8708=6, 2349/3.0=5...(12) HA ARG 140 - H GLY 78 OK 19 100 - 19 - 5.4/8691=4, 5.4/8691=3...(6) HA PRO 118 - H GLY 78 lone 7 100 - 7 - 8566/8561=2, 2349/3.0=1 HA ARG 89 - H GLY 78 lone 5 68 - 7 - 8566/8561=2, 8609/8558=1 HA THR 18 - H GLY 78 lone 3 85 - 3 - 8609/8558=1 HA SER 138 - H GLY 78 lone 2 62 - 2 - HB THR 99 - H GLY 78 lone 1 68 - 2 - Peak 6841 from nnoeabs.peaks (8.82, 8.34, 110.56 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 79 + H GLY 78 OK 100 100 - 100 - 4.4=100 Peak 6842 from nnoeabs.peaks (8.82, 8.82, 121.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 79 + H LEU 79 OK 100 100 - 100 Peak 6843 from nnoeabs.peaks (8.34, 8.82, 121.54 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 78 + H LEU 79 OK 100 100 - 100 - 4.4=100 H ASP 13 - H LEU 79 lone 7 96 - 7 - 11400/3.6=2, 2351/3.6=2 Peak 6844 from nnoeabs.peaks (3.08, 8.82, 121.54 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HA2 GLY 78 + H LEU 79 OK 100 100 - 100 - 3.6=100 HA TYR 119 - H LEU 79 OK 16 100 - 16 - 10307/4.7=12, 2352/3.6=2...(4) HD3 ARG 49 - H LEU 79 OK 14 100 - 14 - 2352/3.6=6, 6839/4.4=5 HB3 TRP 88 - H LEU 79 lone 7 72 - 9 - 6.5/8671=6, 2352/3.6=1 HB3 ASP 30 - H LEU 79 lone 1 72 - 1 - Peak 6845 from nnoeabs.peaks (4.28, 8.82, 121.54 ppm; 3.97 A): 1 out of 9 assignments used, quality = 1.00: * HA3 GLY 78 + H LEU 79 OK 100 100 - 100 - 3.6=100 HA LEU 95 - H LEU 79 OK 19 92 - 21 - 3124/4.2=6, 3.9/2397=5...(5) HA ARG 49 - H LEU 79 OK 11 94 - 11 - 2349/3.6=5, 6840/4.4=3 HA ARG 140 - H LEU 79 lone 8 100 - 8 - 8566/8562=3, 6840/4.4=2 HA PRO 118 - H LEU 79 lone 5 100 - 5 - 8566/8562=2, 2349/3.6=1 HA ARG 89 - H LEU 79 lone 3 68 - 4 - 8566/8562=2 HB THR 99 - H LEU 79 lone 3 68 - 4 - ~10115=2 HA SER 138 - H LEU 79 lone 2 62 - 3 - HA THR 18 - H LEU 79 lone 2 85 - 2 - Peak 6846 from nnoeabs.peaks (3.12, 8.82, 121.54 ppm; 3.52 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 79 + H LEU 79 OK 100 100 - 100 - 2.8=100 HA VAL 80 - H LEU 79 OK 35 81 - 43 - 2.8/6852=20, 8744/4.7=4...(15) HD2 ARG 109 - H LEU 79 OK 17 81 - 21 - 3.0/6848=3, 2366/3.6=2...(12) HB3 PHE 106 - H LEU 79 lone 8 100 - 8 - 6856/4.7=1, 2366/3.6=1 HB3 ASN 96 - H LEU 79 poor 8 72 - 10 - 10120/4.2=2, 2366/3.6=1...(4) HD3 ARG 145 - H LEU 79 lone 6 94 - 6 - HD2 ARG 145 - H LEU 79 lone 5 92 - 6 - HA ALA 105 - H LEU 79 lone 2 62 - 4 - 8570/8562=2 Peak 6847 from nnoeabs.peaks (1.59, 8.82, 121.54 ppm; 3.83 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + H LEU 79 OK 100 100 - 100 - 3.6=100 HG3 LYS 36 - H LEU 79 OK 18 100 - 18 - 2357/2.8=4, 2375/3.6=3...(7) HD2 LYS 61 - H LEU 79 OK 16 100 - 16 - 2357/2.8=3, 2375/3.6=3...(7) HD3 LYS 61 - H LEU 79 OK 16 100 - 16 - 2357/2.8=3, 2375/3.6=3...(7) HG LEU 108 - H LEU 79 poor 9 77 - 12 - ~10546=3, 2357/2.8=2...(5) HB2 LEU 97 - H LEU 79 lone 8 85 - 9 - ~10110=2, 2357/2.8=2...(5) HG2 ARG 141 - H LEU 79 lone 4 81 - 5 - 6857/4.7=1 HG2 ARG 144 - H LEU 79 lone 4 94 - 4 - HG3 LYS 48 - H LEU 79 lone 3 96 - 3 - Peak 6848 from nnoeabs.peaks (1.55, 8.82, 121.54 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 79 + H LEU 79 OK 100 100 - 100 - 3.6=100 HG3 ARG 55 - H LEU 79 OK 23 99 - 23 - 2358/2.8=5, 2368/3.6=4...(8) HG2 ARG 55 - H LEU 79 OK 22 96 - 23 - 2358/2.8=5, 2368/3.6=4...(8) HG2 ARG 109 - H LEU 79 OK 21 72 - 30 - 2358/2.8=4, 2368/3.6=4...(12) Peak 6849 from nnoeabs.peaks (1.31, 8.82, 121.54 ppm; 5.36 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 79 + H LEU 79 OK 100 100 - 100 - 4.7=100 HG12 ILE 83 + H LEU 79 OK 65 100 - 66 - 10773/2.8=15, ~10008=10...(13) HG LEU 87 - H LEU 79 OK 37 94 - 39 - 2369/3.6=9, 2359/2.8=9...(6) HG3 LYS 24 - H LEU 79 OK 23 99 - 23 - 2359/2.8=5, 2377/3.6=4...(6) HG2 LYS 85 - H LEU 79 poor 8 72 - 11 - 2369/3.6=2, 2377/3.6=2...(6) Peak 6850 from nnoeabs.peaks (0.62, 8.82, 121.54 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.84: * QD2 LEU 79 + H LEU 79 OK 79 100 - 79 - 4.9=44, 2.1/2397=17...(14) QD2 LEU 64 + H LEU 79 OK 24 77 - 31 - 2360/2.8=6, 2370/3.6=5...(11) Peak 6851 from nnoeabs.peaks (0.78, 8.82, 121.54 ppm; 3.52 A): 4 out of 5 assignments used, quality = 0.96: * QD1 LEU 79 + H LEU 79 OK 81 100 - 81 - 4.2=58, 2.1/6850=24...(13) QD2 LEU 126 + H LEU 79 OK 43 89 - 48 - 2.1/10350=20...(11) QG2 THR 74 + H LEU 79 OK 38 100 - 38 - 9954/3.6=7, 8700/4.4=6...(12) QD2 LEU 95 + H LEU 79 OK 36 99 - 37 - 2397=7, 2361/2.8=5...(12) QG1 VAL 80 - H LEU 79 OK 25 62 - 41 - 4.0/6852=16, 2361/2.8=5...(12) Peak 6852 from nnoeabs.peaks (8.49, 8.82, 121.54 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.96: * H VAL 80 + H LEU 79 OK 96 100 - 96 - 4.7=93, 6860/4.9=18...(9) Peak 6854 from nnoeabs.peaks (8.49, 8.49, 116.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 80 + H VAL 80 OK 100 100 - 100 Peak 6855 from nnoeabs.peaks (8.82, 8.49, 116.11 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 79 + H VAL 80 OK 100 100 - 100 - 4.7=100 Peak 6856 from nnoeabs.peaks (3.12, 8.49, 116.11 ppm; 3.87 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 79 + H VAL 80 OK 100 100 - 100 - 3.6=100 HA VAL 80 + H VAL 80 OK 81 81 - 100 - 2.8=100 HB3 PHE 106 - H VAL 80 OK 21 100 - 21 - 6870/3.5=3, 2426/4.0=2...(11) HD2 ARG 109 - H VAL 80 OK 19 81 - 24 - 3.0/6858=4, 2366/4.1=3...(11) HD3 ARG 145 - H VAL 80 lone 9 94 - 9 - 6870/3.5=2, ~6870=1 HD2 ARG 145 - H VAL 80 lone 8 92 - 8 - 6870/3.5=2, ~6870=1 HB3 ASN 96 - H VAL 80 lone 7 72 - 10 - 2366/4.1=2, 2374/4.1=1 HA ALA 105 - H VAL 80 lone 3 62 - 4 - 10205/3.5=1 Peak 6857 from nnoeabs.peaks (1.59, 8.49, 116.11 ppm; 4.81 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + H VAL 80 OK 100 100 - 100 - 4.1=100 HG3 LYS 36 + H VAL 80 OK 48 100 - 48 - 2.9/8767=8, 2.9/6863=8...(17) HG LEU 108 - H VAL 80 OK 25 77 - 32 - ~9915=10, ~10225=4...(10) HG2 ARG 141 - H VAL 80 OK 22 81 - 28 - 2.8/2413=5, ~2407=3...(11) HB2 LEU 97 - H VAL 80 OK 17 85 - 20 - ~10110=5, 2357/3.6=2...(8) HD2 LYS 61 - H VAL 80 OK 14 100 - 14 - 2357/3.6=4, 2375/4.1=4...(4) HD3 LYS 61 - H VAL 80 OK 14 100 - 14 - 2357/3.6=4, 2375/4.1=4...(4) HG2 ARG 144 - H VAL 80 lone 9 94 - 9 - 11636/10515=3, 2357/3.6=1 HG3 LYS 48 - H VAL 80 lone 6 96 - 6 - 11636/10515=1 Peak 6858 from nnoeabs.peaks (1.55, 8.49, 116.11 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 79 + H VAL 80 OK 100 100 - 100 - 4.1=100 HG2 ARG 109 - H VAL 80 OK 25 72 - 35 - 2368/4.1=5, 2358/3.6=5...(15) HG3 ARG 55 - H VAL 80 OK 18 99 - 18 - 2358/3.6=6, 2368/4.1=5...(4) HG2 ARG 55 - H VAL 80 OK 17 96 - 17 - 2358/3.6=6, 2368/4.1=5...(4) Peak 6859 from nnoeabs.peaks (1.31, 8.49, 116.11 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: HG12 ILE 83 + H VAL 80 OK 97 100 - 98 - 2.1/10028=48, ~8742=25...(23) * HG LEU 79 + H VAL 80 OK 94 100 - 94 - 4.7/6852=44, 2.1/6860=39...(18) HG LEU 87 + H VAL 80 OK 53 94 - 56 - ~11402=18, 2369/4.1=11...(10) HG3 LYS 24 + H VAL 80 OK 48 99 - 49 - ~11342=19, 8744/2.8=9...(10) HG2 LYS 85 - H VAL 80 OK 15 72 - 21 - ~8745=3, ~8778=3...(8) Peak 6860 from nnoeabs.peaks (0.62, 8.49, 116.11 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.75: * QD2 LEU 79 + H VAL 80 OK 70 100 - 70 - 2389/4.7=18, 2.1/6861=15...(19) QD2 LEU 64 + H VAL 80 OK 19 77 - 25 - 2360/3.6=6, 2370/4.1=6...(5) Peak 6861 from nnoeabs.peaks (0.78, 8.49, 116.11 ppm; 3.68 A): 4 out of 5 assignments used, quality = 0.94: * QD1 LEU 79 + H VAL 80 OK 71 100 - 71 - 2.1/6860=22, 4.2/6852=16...(21) QG1 VAL 80 + H VAL 80 OK 59 62 - 95 - 4.0=80, 2.1/2425=37...(16) QD2 LEU 126 + H VAL 80 OK 30 89 - 33 - 2408/2.8=5, 2361/3.6=5...(10) QD2 LEU 95 + H VAL 80 OK 25 99 - 25 - 2361/3.6=4, 2371/4.1=4...(9) QG2 THR 74 - H VAL 80 OK 19 100 - 19 - 2361/3.6=4, 6851/4.7=3...(7) Peak 6862 from nnoeabs.peaks (3.13, 8.49, 116.11 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 80 + H VAL 80 OK 100 100 - 100 - 2.8=100 HA LEU 79 + H VAL 80 OK 81 81 - 100 - 3.6=100 HA LEU 39 - H VAL 80 OK 17 94 - 18 - 11063/4.0=4, 6872/3.5=4...(7) HB3 PHE 106 - H VAL 80 OK 15 77 - 20 - 2426/4.0=3, 6872/3.5=2...(11) HB2 TYR 70 - H VAL 80 OK 15 72 - 21 - 2426/4.0=3, ~2072=3...(10) Peak 6863 from nnoeabs.peaks (1.82, 8.49, 116.11 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 80 + H VAL 80 OK 100 100 - 100 - 3.7=100 HD3 LYS 36 - H VAL 80 OK 34 99 - 34 - 6873/3.5=6, 1.8/8767=6...(14) HB3 MET 68 - H VAL 80 OK 20 96 - 21 - 2407/2.8=5, 2427/4.0=4...(5) HB2 ARG 141 - H VAL 80 OK 18 96 - 19 - 2413=4, 2407/2.8=4...(6) HB2 MET 11 - H VAL 80 lone 7 100 - 7 - 2407/2.8=2, 2427/4.0=2...(4) HB3 LEU 72 - H VAL 80 lone 6 89 - 7 - 2407/2.8=1, 2427/4.0=1 Peak 6864 from nnoeabs.peaks (0.80, 8.49, 116.11 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.95: * QG1 VAL 80 + H VAL 80 OK 92 100 - 92 - 4.0=71, 2.1/2425=34...(15) QD1 LEU 79 + H VAL 80 OK 40 62 - 63 - 2.1/6860=20, 4.2/6852=15...(20) QD2 LEU 126 - H VAL 80 OK 34 96 - 35 - 2419=8, 2408/2.8=7...(9) QG2 THR 74 - H VAL 80 poor 9 72 - 13 - 2361/3.6=2, 2371/4.1=2...(6) Peak 6865 from nnoeabs.peaks (0.89, 8.49, 116.11 ppm; 3.36 A): 1 out of 7 assignments used, quality = 0.84: * QG2 VAL 80 + H VAL 80 OK 84 100 - 84 - 4.0=60, 2.1/2419=20...(10) QD1 ILE 101 - H VAL 80 lone 9 92 - 10 - 2409/2.8=2, 6875/3.5=1...(4) QG2 ILE 136 - H VAL 80 lone 7 81 - 8 - 2409/2.8=3, 6875/3.5=2...(4) QG2 ILE 101 - H VAL 80 lone 6 81 - 8 - 2409/2.8=2, 2423/4.0=1 QG1 VAL 53 - H VAL 80 lone 6 77 - 8 - ~10627=3, 10631/3.5=2 QD1 LEU 97 - H VAL 80 lone 6 72 - 8 - 2409/2.8=2, 10110/3.6=1 QG1 VAL 63 - H VAL 80 lone 5 72 - 7 - 6875/3.5=2, ~10170=2, 2409/2.8=1 Peak 6866 from nnoeabs.peaks (7.33, 8.49, 116.11 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 81 + H VAL 80 OK 100 100 - 100 - 3.5=100 H ARG 109 - H VAL 80 OK 16 68 - 24 - 2410/2.8=5, 4.3/6858=3...(12) Peak 6868 from nnoeabs.peaks (7.33, 7.33, 120.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 81 + H GLU 81 OK 100 100 - 100 Peak 6870 from nnoeabs.peaks (3.12, 7.33, 120.34 ppm; 4.07 A): 3 out of 8 assignments used, quality = 0.93: HA VAL 80 + H GLU 81 OK 81 81 - 100 - 3.6=100 * HA LEU 79 + H GLU 81 OK 48 100 - 48 - 2363/3.4=16, ~6852=12...(9) HB3 PHE 106 + H GLU 81 OK 23 100 - 23 - ~10219=3, 10218/2.9=3...(9) HD2 ARG 109 - H GLU 81 OK 19 81 - 23 - 6884/3.4=4, 3.0/8778=3...(10) HD3 ARG 145 - H GLU 81 OK 15 94 - 16 - 5.3/10521=5, 3.0/8778=2...(6) HD2 ARG 145 - H GLU 81 OK 14 92 - 15 - 5.3/10521=5, 3.0/8778=2...(5) HB3 ASN 96 - H GLU 81 lone 4 72 - 6 - HA ALA 105 - H GLU 81 lone 4 62 - 7 - 10205=1 Peak 6871 from nnoeabs.peaks (8.49, 7.33, 120.34 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 80 + H GLU 81 OK 100 100 - 100 - 3.5=100 Peak 6872 from nnoeabs.peaks (3.13, 7.33, 120.34 ppm; 4.07 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 80 + H GLU 81 OK 100 100 - 100 - 3.6=100 HA LEU 79 - H GLU 81 OK 33 81 - 40 - ~6852=12, 2363/3.4=11...(9) HA LEU 39 - H GLU 81 OK 30 94 - 32 - 3.8/8133=8, 6886/3.4=5...(11) HB3 PHE 106 - H GLU 81 OK 16 77 - 20 - ~10219=3, 2426/4.4=3...(10) HB2 TYR 70 - H GLU 81 OK 11 72 - 15 - 2426/4.4=3, 2420/4.2=2...(8) Peak 6873 from nnoeabs.peaks (1.82, 7.33, 120.34 ppm; 3.56 A): 4 out of 6 assignments used, quality = 0.93: * HB VAL 80 + H GLU 81 OK 83 100 - 83 - 4.7=45, 2.1/2424=22...(15) HD3 LYS 36 + H GLU 81 OK 40 99 - 41 - 1.8/2448=6, 6863/3.5=4...(21) HB3 MET 68 + H GLU 81 OK 19 96 - 20 - 2407/3.6=4, 2418=4...(6) HB2 ARG 141 + H GLU 81 OK 15 96 - 16 - 2418=4, 2407/3.6=3...(5) HB3 LEU 72 - H GLU 81 lone 7 89 - 8 - 2407/3.6=1 HB2 MET 11 - H GLU 81 lone 7 100 - 7 - 2407/3.6=1, 2427/4.4=1 Peak 6874 from nnoeabs.peaks (0.80, 7.33, 120.34 ppm; 3.45 A): 3 out of 4 assignments used, quality = 0.93: * QG1 VAL 80 + H GLU 81 OK 85 100 - 85 - 4.2=55, 2.1/2430=20...(12) QD2 LEU 126 + H GLU 81 OK 36 96 - 37 - 2424=9, 2408/3.6=5...(10) QD1 LEU 79 + H GLU 81 OK 23 62 - 36 - ~6860=8, 2408/3.6=5...(12) QG2 THR 74 - H GLU 81 poor 8 72 - 11 - 2408/3.6=1, 8616/8776=1...(5) Peak 6875 from nnoeabs.peaks (0.89, 7.33, 120.34 ppm; 3.83 A): 1 out of 7 assignments used, quality = 0.94: * QG2 VAL 80 + H GLU 81 OK 94 100 - 94 - 4.4=67, 2425/3.5=28...(19) QG1 VAL 63 - H GLU 81 OK 14 72 - 19 - 3.2/6876=3, 1798/2.9=2...(10) QG2 ILE 136 - H GLU 81 OK 14 81 - 17 - 2409/3.6=3, 9901/9910=2...(6) QG1 VAL 53 - H GLU 81 OK 13 77 - 17 - 2.1/10627=8, 10631=3...(4) QD1 ILE 101 - H GLU 81 OK 12 92 - 13 - 2409/3.6=2, 6865/3.5=2...(4) QD1 LEU 97 - H GLU 81 poor 10 72 - 13 - 10110/3.6=3...(5) QG2 ILE 101 - H GLU 81 poor 9 81 - 11 - 2409/3.6=2, 6865/3.5=1...(4) Peak 6876 from nnoeabs.peaks (4.02, 7.33, 120.34 ppm; 3.30 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 81 + H GLU 81 OK 100 100 - 100 - 2.9=100 HA GLU 37 - H GLU 81 OK 30 100 - 30 - 2431=8, 2442/4.0=3...(10) HA VAL 63 - H GLU 81 OK 16 99 - 16 - 10170/3.6=3, 6888/3.4=2 HA LYS 123 - H GLU 81 OK 15 100 - 15 - 6888/3.4=2, ~10325=1...(5) HB THR 107 - H GLU 81 OK 10 98 - 10 - 9244/9915=1, 6888/3.4=1 HB3 SER 100 - H GLU 81 lone 3 85 - 4 - 9953/4.2=2 HB2 SER 103 - H GLU 81 lone 3 85 - 3 - Peak 6877 from nnoeabs.peaks (1.74, 7.33, 120.34 ppm; 2.90 A): 2 out of 9 assignments used, quality = 0.92: * HB2 GLU 81 + H GLU 81 OK 79 100 - 79 - 4.0=39, 1.8/2448=18...(18) HB3 GLU 81 + H GLU 81 OK 60 77 - 78 - 4.0=39, 1.8/2441=19...(17) HD2 LYS 36 - H GLU 81 OK 22 94 - 23 - 1.8/6873=6, 2441=5...(8) HG LEU 66 - H GLU 81 OK 21 62 - 34 - 2.1/9910=12, 2.9/8778=3...(13) HB ILE 83 - H GLU 81 OK 19 68 - 27 - 4.0/6902=6, 2412/3.6=5...(9) HB2 ARG 49 - H GLU 81 OK 12 100 - 11 - 1.8/8777=4, 2433/2.9=1 HG3 ARG 140 - H GLU 81 lone 4 100 - 4 - HB3 ARG 144 - H GLU 81 lone 4 89 - 4 - HG3 ARG 89 - H GLU 81 lone 1 68 - 1 - Peak 6878 from nnoeabs.peaks (1.73, 7.33, 120.34 ppm; 2.90 A): 3 out of 9 assignments used, quality = 0.94: * HB3 GLU 81 + H GLU 81 OK 78 100 - 78 - 4.0=39, 1.8/2441=19...(16) HB2 GLU 81 + H GLU 81 OK 60 77 - 78 - 4.0=39, 1.8/2448=18...(17) HG LEU 66 + H GLU 81 OK 37 100 - 38 - 2.1/9910=12, 1898/3.4=4...(14) HD2 LYS 36 - H GLU 81 OK 22 98 - 23 - 1.8/6873=6, 2448=5...(8) HB3 ARG 109 - H GLU 81 OK 16 98 - 17 - 6890/3.4=2, 1.8/3530=2...(10) HB2 ARG 49 - H GLU 81 lone 6 68 - 9 - 1.8/8777=4 HB3 ARG 144 - H GLU 81 lone 4 100 - 4 - HG3 ARG 89 - H GLU 81 lone 2 100 - 2 - HG3 ARG 140 - H GLU 81 lone 2 72 - 3 - Peak 6879 from nnoeabs.peaks (2.14, 7.33, 120.34 ppm; 3.87 A): 1 out of 5 assignments used, quality = 0.93: * HG2 GLU 81 + H GLU 81 OK 93 100 - 93 - 4.9=50, 1.8/2462=34...(17) HG2 GLN 111 - H GLU 81 OK 25 81 - 30 - 3.9/10178=20, ~2440=2...(6) HB2 GLN 133 - H GLU 81 OK 16 100 - 16 - 2435/2.9=3, 6891/3.4=2...(8) HB3 GLN 133 - H GLU 81 OK 15 99 - 15 - 2435/2.9=3, 6891/3.4=2...(8) HG3 PRO 118 - H GLU 81 OK 14 100 - 14 - 2435/2.9=3, 2445/4.0=3...(5) Peak 6880 from nnoeabs.peaks (2.29, 7.33, 120.34 ppm; 3.55 A): 4 out of 8 assignments used, quality = 0.93: * HG3 GLU 81 + H GLU 81 OK 89 100 - 89 - 2462=39, 1.8/2455=29...(17) HG3 GLU 75 + H GLU 81 OK 14 100 - 14 - 6892/3.4=3, 2436/2.9=2...(5) HG2 GLN 62 + H GLU 81 OK 12 100 - 11 - 8344/4.4=3, 2436/2.9=2...(5) HG3 GLN 62 + H GLU 81 OK 11 99 - 11 - 8344/4.4=3, 2436/2.9=2 HG2 GLU 120 - H GLU 81 lone 7 77 - 9 - ~2436=2, 2436/2.9=1...(5) HG2 GLU 131 - H GLU 81 lone 6 72 - 8 - 9559/4.2=4, 8751/4.4=1 HG2 GLU 90 - H GLU 81 lone 2 68 - 3 - HG3 GLU 142 - H GLU 81 lone 2 72 - 2 - Peak 6881 from nnoeabs.peaks (7.63, 7.33, 120.34 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.97: * H VAL 82 + H GLU 81 OK 97 100 - 97 - 3.4=89, 3.2/8776=17...(19) H LEU 66 - H GLU 81 OK 37 94 - 39 - 4.5/9910=10, 3.9/8778=4...(14) H GLU 122 - H GLU 81 OK 13 98 - 13 - 2437/2.9=2, 3.0/9920=2...(5) H LYS 93 - H GLU 81 lone 8 85 - 10 - ~7077=1, 2437/2.9=1, ~3010=1 HD21 ASN 130 - H GLU 81 lone 3 85 - 3 - Peak 6882 from nnoeabs.peaks (7.90, 7.33, 120.34 ppm; 4.95 A): 2 out of 2 assignments used, quality = 0.97: * H ILE 83 + H GLU 81 OK 95 100 - 95 - 3.4/6887=35, 6902=35...(19) HD22 ASN 139 + H GLU 81 OK 43 99 - 43 - ~9744=10, 6897/3.4=9...(10) Peak 6883 from nnoeabs.peaks (7.63, 7.63, 118.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 82 + H VAL 82 OK 100 100 - 100 Peak 6884 from nnoeabs.peaks (3.12, 7.63, 118.66 ppm; 3.73 A): 6 out of 8 assignments used, quality = 0.92: * HA LEU 79 + H VAL 82 OK 61 100 - 61 - 2363=18, 8794/4.0=17...(10) HA VAL 80 + H VAL 82 OK 59 81 - 72 - 3.6/6887=22, 8743/3.2=11...(16) HD2 ARG 109 + H VAL 82 OK 24 81 - 29 - 3.6/6894=4, 9986/4.0=4...(12) HB3 PHE 106 + H VAL 82 OK 15 100 - 14 - 6870/3.4=3, 10218/3.6=2...(7) HD3 ARG 145 + H VAL 82 OK 11 94 - 12 - 6900/3.4=2, 6870/3.4=2...(4) HD2 ARG 145 + H VAL 82 OK 11 92 - 11 - 9986/4.0=2, 6870/3.4=2...(6) HA ALA 105 - H VAL 82 lone 5 62 - 9 - 9986/4.0=2, ~9229=1, 10205/3.4=1 HB3 ASN 96 - H VAL 82 lone 5 72 - 6 - 3.5/9983=2 Peak 6885 from nnoeabs.peaks (8.49, 7.63, 118.66 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 80 + H VAL 82 OK 99 100 - 99 - 3.5/6887=41, ~8776=34...(16) Peak 6886 from nnoeabs.peaks (3.13, 7.63, 118.66 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.90: * HA VAL 80 + H VAL 82 OK 77 100 - 77 - 3.6/6887=22, 8743/3.2=15...(17) HA LEU 79 + H VAL 82 OK 42 81 - 52 - 2363=13, 8794/4.0=12...(11) HA LEU 39 + H VAL 82 OK 26 94 - 28 - 9987/3.2=7, 6901/3.4=5...(9) HB3 PHE 106 - H VAL 82 poor 9 77 - 12 - 10006/3.2=2, 6872/3.4=2...(6) HB2 TYR 70 - H VAL 82 lone 6 72 - 9 - 9987/3.2=3, 2478/4.0=1...(4) Peak 6887 from nnoeabs.peaks (7.33, 7.63, 118.66 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 81 + H VAL 82 OK 99 100 - 99 - 3.4=98, 8776/3.2=19...(20) H ARG 109 - H VAL 82 OK 21 68 - 31 - 9977/3.2=7, 9974/4.0=5...(11) Peak 6888 from nnoeabs.peaks (4.02, 7.63, 118.66 ppm; 4.04 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 81 + H VAL 82 OK 100 100 - 100 - 3.6=100 HA GLU 37 - H VAL 82 OK 26 100 - 26 - 2431/3.4=6, 2437=4...(8) HA LYS 123 - H VAL 82 OK 24 100 - 24 - 2.9/7523=4, 8820/3.2=4...(9) HA VAL 63 - H VAL 82 OK 19 99 - 19 - 8820/3.2=4, 6876/3.4=3...(7) HB THR 107 - H VAL 82 OK 11 98 - 11 - 8820/3.2=3, 6876/3.4=2 HB3 SER 100 - H VAL 82 lone 4 85 - 4 - HB2 SER 103 - H VAL 82 lone 3 85 - 4 - Peak 6889 from nnoeabs.peaks (1.74, 7.63, 118.66 ppm; 3.17 A): 3 out of 9 assignments used, quality = 0.96: * HB2 GLU 81 + H VAL 82 OK 83 100 - 83 - 4.6=32, 2441/3.4=14...(24) HB3 GLU 81 + H VAL 82 OK 65 77 - 84 - 4.6=32, 4.0/6887=14...(27) HB ILE 83 + H VAL 82 OK 36 68 - 53 - 4.0/6897=13, 4.7/6898=8...(17) HG LEU 66 - H VAL 82 OK 27 62 - 43 - 2.1/1906=8, ~9910=7...(16) HD2 LYS 36 - H VAL 82 OK 17 94 - 18 - 2441/3.4=3, 8783/3.2=3...(5) HB2 ARG 49 - H VAL 82 OK 14 100 - 14 - ~8777=3, 11010/3.2=3...(6) HB3 ARG 144 - H VAL 82 lone 8 89 - 9 - ~8801=2, ~8801=1, 11010/3.2=1 HG3 ARG 140 - H VAL 82 lone 4 100 - 4 - HG3 ARG 89 - H VAL 82 lone 3 68 - 4 - 3.8/10068=2 Peak 6890 from nnoeabs.peaks (1.73, 7.63, 118.66 ppm; 3.17 A): 3 out of 9 assignments used, quality = 0.97: * HB3 GLU 81 + H VAL 82 OK 85 100 - 85 - 4.6=32, 4.0/6887=14...(27) HB2 GLU 81 + H VAL 82 OK 63 77 - 82 - 4.6=32, 4.0/6887=14...(23) HG LEU 66 + H VAL 82 OK 47 100 - 47 - 2.1/1906=8, ~9910=7...(16) HB3 ARG 109 - H VAL 82 OK 32 98 - 33 - 1.8/6894=5, 2476/2.9=3...(16) HD2 LYS 36 - H VAL 82 OK 18 98 - 18 - 2448/3.4=3, 2454=3...(6) HB3 ARG 144 - H VAL 82 lone 9 100 - 9 - ~8801=2, ~8801=1, 11010/3.2=1 HB2 ARG 49 - H VAL 82 poor 8 68 - 11 - ~8777=3, 11010/3.2=2, 3.0/6894=1 HG3 ARG 89 - H VAL 82 lone 5 100 - 5 - 3.8/10068=2 HG3 ARG 140 - H VAL 82 lone 2 72 - 2 - Peak 6891 from nnoeabs.peaks (2.14, 7.63, 118.66 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.97: * HG2 GLU 81 + H VAL 82 OK 97 100 - 97 - 2455/3.4=33, 2461=30...(21) HB2 GLN 133 - H VAL 82 OK 19 100 - 19 - 4.5/9983=4, 6879/3.4=4...(6) HB3 GLN 133 - H VAL 82 OK 18 99 - 18 - 4.5/9983=4, 6879/3.4=4...(6) HG3 PRO 118 - H VAL 82 OK 16 100 - 16 - 2445/4.6=3, 2435/3.6=3...(4) HG2 GLN 111 - H VAL 82 OK 12 81 - 15 - 6879/3.4=6, 2435/3.6=2...(6) Peak 6892 from nnoeabs.peaks (2.29, 7.63, 118.66 ppm; 4.98 A): 1 out of 8 assignments used, quality = 0.98: * HG3 GLU 81 + H VAL 82 OK 98 100 - 98 - 2462/3.4=35, 8790/3.2=33...(21) HG3 GLU 75 - H VAL 82 OK 35 100 - 35 - ~8802=6, ~8802=5...(11) HG2 GLN 62 - H VAL 82 OK 18 100 - 17 - 6880/3.4=3, 2436/3.6=2...(7) HG3 GLN 62 - H VAL 82 OK 17 99 - 17 - 6880/3.4=3, ~6880=2...(7) HG2 GLU 120 - H VAL 82 OK 11 77 - 15 - 10008/3.2=3, 6880/3.4=2...(5) HG2 GLU 90 - H VAL 82 poor 8 68 - 12 - 3.8/2914=4, 10008/3.2=2...(4) HG2 GLU 131 - H VAL 82 lone 6 72 - 8 - 6880/3.4=2, 10008/3.2=2 HG3 GLU 142 - H VAL 82 lone 3 72 - 5 - Peak 6893 from nnoeabs.peaks (2.98, 7.63, 118.66 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 82 + H VAL 82 OK 100 100 - 100 - 2.9=100 HB3 ASN 128 - H VAL 82 OK 26 100 - 26 - 2492/3.2=5, 2480/4.0=4...(10) HA VAL 71 - H VAL 82 OK 23 85 - 27 - 2492/3.2=5, 2486/4.0=4...(11) HB3 TYR 27 - H VAL 82 poor 8 72 - 11 - ~10000=2, 2492/3.2=2...(4) HB2 ASP 30 - H VAL 82 lone 6 99 - 6 - 2492/3.2=1, 2486/4.0=1 HB3 HIS 14 - H VAL 82 lone 2 92 - 3 - Peak 6894 from nnoeabs.peaks (1.37, 7.63, 118.66 ppm; 2.95 A): 4 out of 6 assignments used, quality = 0.94: * HB VAL 82 + H VAL 82 OK 85 100 - 85 - 4.0=40, 2.1/6896=32...(16) HG LEU 132 + H VAL 82 OK 27 96 - 28 - 3.0/8817=5, ~8816=4...(8) HB2 ARG 109 + H VAL 82 OK 24 89 - 27 - 1.8/6890=4, 2493/3.2=3...(11) HB3 LEU 39 + H VAL 82 OK 22 98 - 22 - 6906/3.4=3, 3.0/6886=3...(8) HB2 LEU 69 - H VAL 82 poor 9 77 - 11 - 2493/3.2=2, 2471/2.9=1 HG2 ARG 49 - H VAL 82 poor 7 62 - 11 - ~8777=2, 2493/3.2=1, 3.0/6889=1 Peak 6895 from nnoeabs.peaks (-1.12, 7.63, 118.66 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.92: * QG1 VAL 82 + H VAL 82 OK 92 100 - 92 - 4.0=55, 2.1/6896=37...(20) Peak 6896 from nnoeabs.peaks (0.42, 7.63, 118.66 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.94: * QG2 VAL 82 + H VAL 82 OK 94 100 - 94 - 3.2=72, 2.1/6895=25...(28) Peak 6897 from nnoeabs.peaks (7.90, 7.63, 118.66 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 83 + H VAL 82 OK 100 100 - 100 - 3.4=98, 6908/3.2=20...(21) HD22 ASN 139 - H VAL 82 OK 27 99 - 28 - 2496/3.2=6, 2490/4.0=5...(9) Peak 6898 from nnoeabs.peaks (8.89, 7.63, 118.66 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.95: * H ASN 84 + H VAL 82 OK 93 100 - 93 - 3.2/6897=33, 6920=31...(21) H LYS 34 + H VAL 82 OK 21 98 - 22 - 6915/3.4=9, 9981/3.2=5...(5) Peak 6899 from nnoeabs.peaks (7.90, 7.90, 117.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 83 + H ILE 83 OK 100 100 - 100 Peak 6900 from nnoeabs.peaks (3.12, 7.90, 117.55 ppm; 3.89 A): 6 out of 8 assignments used, quality = 0.94: * HA LEU 79 + H ILE 83 OK 68 100 - 68 - 8794/4.4=17, 2363/3.4=14...(15) HA VAL 80 + H ILE 83 OK 58 81 - 72 - 2411=18, 3.6/6902=14...(14) HD2 ARG 109 + H ILE 83 OK 25 81 - 30 - 10029/4.5=7, 10007/3.9=6...(9) HB3 PHE 106 + H ILE 83 OK 16 100 - 16 - 6884/3.4=2, 2478/4.5=2...(8) HD3 ARG 145 + H ILE 83 OK 15 94 - 16 - ~10035=2, 10029/4.5=2...(8) HD2 ARG 145 + H ILE 83 OK 13 92 - 14 - 10029/4.5=2, 10007/3.9=2...(7) HB3 ASN 96 - H ILE 83 poor 8 72 - 11 - 9078/3.9=2, 10029/4.5=2 HA ALA 105 - H ILE 83 lone 5 62 - 9 - 9986/4.4=2, 10035/2.9=2 Peak 6901 from nnoeabs.peaks (3.13, 7.90, 117.55 ppm; 3.89 A): 4 out of 5 assignments used, quality = 0.94: * HA VAL 80 + H ILE 83 OK 81 100 - 81 - 2411=25, 9965/3.2=14...(15) HA LEU 79 + H ILE 83 OK 48 81 - 59 - 8794/4.4=12, 4.8/2411=12...(15) HA LEU 39 + H ILE 83 OK 34 94 - 36 - 9987/4.4=6, 3.0/6906=6...(11) HB3 PHE 106 + H ILE 83 OK 11 77 - 15 - 10006/4.4=2, 6886/3.4=2...(8) HB2 TYR 70 - H ILE 83 poor 8 72 - 11 - 9987/4.4=2, 6918/3.2=2...(4) Peak 6902 from nnoeabs.peaks (7.33, 7.90, 117.55 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.96: * H GLU 81 + H ILE 83 OK 96 100 - 96 - 6887/3.4=36, 6882=35...(19) H ARG 109 - H ILE 83 OK 31 68 - 46 - 9974/4.4=11, 9977/4.4=11...(10) Peak 6903 from nnoeabs.peaks (4.02, 7.90, 117.55 ppm; 5.93 A): 1 out of 7 assignments used, quality = 0.96: * HA GLU 81 + H ILE 83 OK 96 100 - 96 - 3.6/6897=38, 2.9/6902=33...(18) HA LYS 123 - H ILE 83 OK 32 100 - 32 - 6888/3.4=6, 8820/4.4=6...(10) HA VAL 63 - H ILE 83 OK 29 99 - 29 - 6919/3.2=9, 8820/4.4=6...(7) HA GLU 37 - H ILE 83 OK 27 100 - 27 - 2438/3.2=7, 6888/3.4=6...(6) HB THR 107 - H ILE 83 OK 14 98 - 15 - 8820/4.4=4, 6919/3.2=3...(4) HB2 SER 103 - H ILE 83 lone 8 85 - 9 - ~10033=3 HB3 SER 100 - H ILE 83 lone 7 85 - 8 - 6919/3.2=3 Peak 6904 from nnoeabs.peaks (7.63, 7.90, 117.55 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 82 + H ILE 83 OK 100 100 - 100 - 3.4=100 H LEU 66 - H ILE 83 OK 31 94 - 32 - 2491/4.4=6, 2485/4.4=5...(11) H LYS 93 - H ILE 83 OK 21 85 - 24 - 3.6/6909=5, 2485/4.4=2...(12) H GLU 122 - H ILE 83 OK 13 98 - 13 - 2469/3.6=2, 2485/4.4=2...(7) HD21 ASN 130 - H ILE 83 lone 3 85 - 4 - Peak 6905 from nnoeabs.peaks (2.98, 7.90, 117.55 ppm; 4.61 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 82 + H ILE 83 OK 100 100 - 100 - 3.6=100 HA VAL 71 - H ILE 83 OK 27 85 - 31 - 2486/4.4=6, 2492/4.4=6...(9) HB3 ASN 128 - H ILE 83 OK 26 100 - 27 - 2480/4.5=6, 2486/4.4=6...(5) HB2 ASP 30 - H ILE 83 lone 10 99 - 10 - 2492/4.4=2, 2486/4.4=2...(6) HB3 TYR 27 - H ILE 83 poor 8 72 - 11 - 2486/4.4=2, 2480/4.5=2...(4) HB3 HIS 14 - H ILE 83 lone 4 92 - 4 - Peak 6906 from nnoeabs.peaks (1.37, 7.90, 117.55 ppm; 3.54 A): 2 out of 6 assignments used, quality = 0.97: * HB VAL 82 + H ILE 83 OK 95 100 - 95 - 4.5=50, 2.1/6907=31...(23) HB3 LEU 39 + H ILE 83 OK 38 98 - 39 - 10660/3.9=6, 3.2/6914=5...(17) HG LEU 132 - H ILE 83 OK 36 96 - 38 - 10660/3.9=6, 6894/3.4=4...(12) HB2 ARG 109 - H ILE 83 OK 26 89 - 29 - 9273/4.5=4, 6894/3.4=4...(11) HG2 ARG 49 - H ILE 83 OK 13 62 - 21 - ~10012=4, 9992/2.9=2...(11) HB2 LEU 69 - H ILE 83 OK 13 77 - 17 - 10013/2.9=2, 10660/3.9=2...(7) Peak 6907 from nnoeabs.peaks (-1.12, 7.90, 117.55 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.98: * QG1 VAL 82 + H ILE 83 OK 98 100 - 98 - 4.4=64, 2.1/6908=30...(24) Peak 6908 from nnoeabs.peaks (0.42, 7.90, 117.55 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 82 + H ILE 83 OK 100 100 - 100 - 4.4=85, 2.1/6907=40...(31) Peak 6909 from nnoeabs.peaks (3.67, 7.90, 117.55 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 83 + H ILE 83 OK 100 100 - 100 - 2.9=100 HA THR 92 - H ILE 83 OK 33 68 - 48 - 2515/3.9=7, 2507/4.0=6...(18) Peak 6910 from nnoeabs.peaks (1.75, 7.90, 117.55 ppm; 3.31 A): 2 out of 7 assignments used, quality = 0.96: * HB ILE 83 + H ILE 83 OK 94 100 - 94 - 4.0=57, 2.1/2514=19...(30) HB2 GLU 81 + H ILE 83 OK 36 68 - 53 - 4.6/6897=12, 4.0/6902=9...(17) HG LEU 95 - H ILE 83 OK 34 96 - 36 - ~9075=8, 2499/2.9=5...(10) HB2 PRO 12 - H ILE 83 OK 25 94 - 26 - 2516/3.9=4, 2499/2.9=4...(11) HB2 ARG 49 - H ILE 83 OK 13 77 - 17 - 2499/2.9=2, 2516/3.9=2...(10) HG3 ARG 140 - H ILE 83 poor 9 72 - 13 - 4.9/7822=2, 2516/3.9=2...(6) HB3 ARG 35 - H ILE 83 poor 6 62 - 10 - ~10801=6 Peak 6911 from nnoeabs.peaks (0.85, 7.90, 117.55 ppm; 3.42 A): 1 out of 5 assignments used, quality = 0.96: * QG2 ILE 83 + H ILE 83 OK 96 100 - 96 - 3.9=66, 2515/2.9=24...(31) QD1 LEU 64 - H ILE 83 OK 41 99 - 42 - 8376/2.9=22, 10627/4.0=8...(6) QD2 LEU 97 - H ILE 83 OK 32 89 - 36 - 11006/4.4=8, 9124/2.9=7...(12) HB3 LEU 42 - H ILE 83 OK 14 72 - 19 - 2500/2.9=4, 2509/4.0=3...(8) QG2 ILE 56 - H ILE 83 lone 7 85 - 8 - 10133/4.4=1, 2500/2.9=1 Peak 6912 from nnoeabs.peaks (1.30, 7.90, 117.55 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.98: * HG12 ILE 83 + H ILE 83 OK 96 100 - 96 - 4.4=55, 2.1/2538=22...(29) HG LEU 79 + H ILE 83 OK 49 100 - 49 - 3.7/6900=7, 2501/2.9=7...(16) HG LEU 87 - H ILE 83 OK 41 99 - 41 - 10047/4.4=11...(9) HG3 LYS 24 - H ILE 83 OK 14 100 - 14 - 2501/2.9=2, 2518/3.9=2...(6) HG13 ILE 58 - H ILE 83 poor 10 62 - 16 - 6926/3.2=3, 11009/4.4=3...(7) Peak 6913 from nnoeabs.peaks (1.91, 7.90, 117.55 ppm; 3.56 A): 1 out of 15 assignments used, quality = 0.95: * HG13 ILE 83 + H ILE 83 OK 95 100 - 95 - 4.4=51, 2.1/2538=21...(28) HB2 LYS 86 - H ILE 83 OK 30 100 - 30 - 3.5/11562=4, 6927/3.2=3...(16) HB3 LEU 132 - H ILE 83 OK 26 85 - 30 - ~8817=5, 3.0/6906=4...(14) HB ILE 136 - H ILE 83 OK 22 100 - 23 - 2.5/10454=7, 2502/2.9=3...(8) HG3 PRO 12 - H ILE 83 OK 22 89 - 25 - 2.3/6910=4, 101/4.0=3...(11) HG2 PRO 12 - H ILE 83 OK 22 77 - 28 - 2.3/6910=4, 93/4.0=3...(14) HB2 MET 59 - H ILE 83 OK 20 98 - 20 - 8299/3.9=6, 1604/4.0=4...(7) QE MET 68 - H ILE 83 OK 16 94 - 17 - 8451/2.9=8, 6927/3.2=2 HB3 LEU 69 - H ILE 83 OK 13 89 - 14 - 1.8/6906=2, 8806/4.4=2...(5) HB2 ARG 140 - H ILE 83 poor 8 72 - 12 - 4.0/7822=3, 2.9/6910=1...(4) HB2 LYS 24 - H ILE 83 lone 6 68 - 9 - 3.0/6912=2 HB ILE 101 - H ILE 83 lone 6 72 - 8 - ~10542=3 HB2 PRO 118 - H ILE 83 lone 5 94 - 6 - HB3 ARG 89 - H ILE 83 lone 5 68 - 8 - ~10068=1 HB2 GLN 62 - H ILE 83 lone 2 77 - 2 - Peak 6914 from nnoeabs.peaks (0.67, 7.90, 117.55 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.96: * QD1 ILE 83 + H ILE 83 OK 93 100 - 93 - 4.5=44, 2539/2.9=20...(26) QD2 LEU 66 + H ILE 83 OK 49 96 - 51 - 1914/3.4=6, 2503/2.9=6...(19) QD2 LEU 39 - H ILE 83 OK 35 94 - 37 - 2503/2.9=5, 6928/3.2=4...(14) HB3 LEU 116 - H ILE 83 OK 20 99 - 20 - 2520/3.9=4, 2512/4.0=3...(7) Peak 6915 from nnoeabs.peaks (8.89, 7.90, 117.55 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 84 + H ILE 83 OK 100 100 - 100 - 3.2=100 H LYS 34 - H ILE 83 OK 31 98 - 31 - 2504/2.9=6, 2521/3.9=5...(10) Peak 6917 from nnoeabs.peaks (8.89, 8.89, 119.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 84 + H ASN 84 OK 100 100 - 100 Peak 6918 from nnoeabs.peaks (3.13, 8.89, 119.41 ppm; 4.11 A): 3 out of 5 assignments used, quality = 0.87: * HA VAL 80 + H ASN 84 OK 69 100 - 69 - 9965=21, 2411/3.2=19...(12) HA LEU 79 + H ASN 84 OK 35 81 - 43 - 4.8/9965=12, 6901/3.2=8...(11) HA LEU 39 + H ASN 84 OK 33 94 - 35 - 6901/3.2=6, 3.9/6928=5...(13) HB2 TYR 70 - H ASN 84 poor 9 72 - 13 - 1.8/6930=2, ~2548=1...(5) HB3 PHE 106 - H ASN 84 lone 7 77 - 9 - 6901/3.2=2, 10027/4.3=2 Peak 6919 from nnoeabs.peaks (4.02, 8.89, 119.41 ppm; 3.75 A): 6 out of 7 assignments used, quality = 0.89: * HA GLU 81 + H ASN 84 OK 71 100 - 71 - 2438=20, 3.6/6898=15...(15) HA VAL 63 + H ASN 84 OK 29 99 - 29 - 8364/2.9=7, 6948/3.1=6...(9) HA GLU 37 + H ASN 84 OK 23 100 - 23 - 2438=5, 2440/4.0=4...(6) HA LYS 123 + H ASN 84 OK 17 100 - 17 - 6948/3.1=3, 2561/4.0=2...(6) HB THR 107 + H ASN 84 OK 11 98 - 11 - 2553/4.0=2, 2561/4.0=2...(4) HB3 SER 100 + H ASN 84 OK 11 85 - 12 - 4.5/6933=4, 10166/5.7=2...(6) HB2 SER 103 - H ASN 84 lone 3 85 - 3 - Peak 6920 from nnoeabs.peaks (7.63, 8.89, 119.41 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.93: * H VAL 82 + H ASN 84 OK 93 100 - 93 - 6898=37, 6897/3.2=31...(20) H LEU 66 - H ASN 84 OK 23 94 - 24 - 6904/3.2=7, 4.5/6928=5...(7) H LYS 93 - H ASN 84 OK 18 85 - 21 - 3.6/6923=6, 6904/3.2=5...(5) H GLU 122 - H ASN 84 OK 15 98 - 15 - 6904/3.2=3, 7511/4.0=3...(4) HD21 ASN 130 - H ASN 84 lone 3 85 - 3 - Peak 6921 from nnoeabs.peaks (2.98, 8.89, 119.41 ppm; 5.03 A): 2 out of 6 assignments used, quality = 0.95: * HA VAL 82 + H ASN 84 OK 93 100 - 93 - 2.9/6898=30, ~6907=26...(14) HA VAL 71 + H ASN 84 OK 30 85 - 35 - 6949/3.1=9, 6905/3.2=5...(11) HB3 ASN 128 - H ASN 84 OK 14 100 - 15 - 6905/3.2=5, 6949/3.1=4...(4) HB2 ASP 30 - H ASN 84 lone 8 99 - 8 - 6949/3.1=3, 6905/3.2=2 HB3 TYR 27 - H ASN 84 lone 5 72 - 7 - 6905/3.2=2, 6949/3.1=2 HB3 HIS 14 - H ASN 84 lone 3 92 - 3 - Peak 6922 from nnoeabs.peaks (7.90, 8.89, 119.41 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 83 + H ASN 84 OK 100 100 - 100 - 3.2=100 HD22 ASN 139 - H ASN 84 OK 33 99 - 34 - 2497/3.6=7, 2514/4.3=7...(8) Peak 6923 from nnoeabs.peaks (3.67, 8.89, 119.41 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 83 + H ASN 84 OK 100 100 - 100 - 3.6=100 HA THR 92 - H ASN 84 OK 22 68 - 33 - 6909/3.2=8, 2515/4.3=8...(9) Peak 6924 from nnoeabs.peaks (1.75, 8.89, 119.41 ppm; 3.19 A): 4 out of 7 assignments used, quality = 0.88: * HB ILE 83 + H ASN 84 OK 79 100 - 79 - 4.7=32, 2.1/2521=20...(18) HB2 GLU 81 + H ASN 84 OK 22 68 - 33 - 3.0/2438=9, 4.6/6898=8...(11) HG LEU 95 + H ASN 84 OK 16 96 - 17 - 2499/3.6=4, 6910/3.2=4...(5) HB2 PRO 12 + H ASN 84 OK 13 94 - 14 - 2516/4.3=3, 2499/3.6=3...(6) HB2 ARG 49 - H ASN 84 lone 7 77 - 9 - 2499/3.6=2, 2516/4.3=1 HG3 ARG 140 - H ASN 84 lone 4 72 - 5 - 2516/4.3=1, 2499/3.6=1 HB3 ARG 35 - H ASN 84 lone 4 62 - 6 - 3.6/6174=3 Peak 6925 from nnoeabs.peaks (0.85, 8.89, 119.41 ppm; 3.21 A): 3 out of 5 assignments used, quality = 0.91: * QG2 ILE 83 + H ASN 84 OK 83 100 - 83 - 4.3=40, 2.1/6924=18...(19) QD1 LEU 64 + H ASN 84 OK 30 99 - 30 - 8376/3.6=16, 10627/4.7=6...(5) QD2 LEU 97 + H ASN 84 OK 25 89 - 29 - 8855/2.9=14, 9124/3.6=5...(6) HB3 LEU 42 - H ASN 84 lone 6 72 - 9 - 2500/3.6=3, 2509/4.7=2 QG2 ILE 56 - H ASN 84 lone 5 85 - 5 - Peak 6926 from nnoeabs.peaks (1.30, 8.89, 119.41 ppm; 3.99 A): 3 out of 5 assignments used, quality = 0.96: * HG12 ILE 83 + H ASN 84 OK 89 100 - 89 - 3.2/2521=23, 3.0/2513=22...(20) HG LEU 79 + H ASN 84 OK 40 100 - 40 - 6912/3.2=7, 2501/3.6=7...(12) HG LEU 87 + H ASN 84 OK 37 99 - 38 - ~8906=11, ~10036=8...(9) HG13 ILE 58 - H ASN 84 OK 28 62 - 45 - 4.1/6929=6, ~1586=5...(18) HG3 LYS 24 - H ASN 84 OK 16 100 - 16 - 6912/3.2=2, 2501/3.6=2...(5) Peak 6927 from nnoeabs.peaks (1.91, 8.89, 119.41 ppm; 4.23 A): 2 out of 15 assignments used, quality = 0.95: * HG13 ILE 83 + H ASN 84 OK 91 100 - 91 - 3.2/2521=25, 3.0/2513=24...(21) HB2 LYS 86 + H ASN 84 OK 48 100 - 48 - 4.0/8866=17, ~8867=9...(12) QE MET 68 - H ASN 84 OK 25 94 - 26 - 8451/3.6=13, 8454/3.1=3...(7) HB3 LEU 132 - H ASN 84 OK 24 85 - 28 - 3.2/8857=8, 2519/4.3=3...(10) HB ILE 136 - H ASN 84 OK 23 100 - 23 - ~10454=7, 2519/4.3=3...(7) HB2 MET 59 - H ASN 84 OK 21 98 - 22 - 8299/4.3=8, 1604/4.7=5...(5) HG3 PRO 12 - H ASN 84 OK 21 89 - 24 - 2.3/6924=4, 101/4.7=4...(8) HG2 PRO 12 - H ASN 84 OK 18 77 - 23 - 2.3/6924=4, 93/4.7=3...(8) HB ILE 101 - H ASN 84 OK 14 72 - 19 - 3.9/6933=6, 3.2/10542=5...(4) HB3 LEU 69 - H ASN 84 OK 14 89 - 16 - ~9876=3, 2502/3.6=2...(7) HB2 LYS 24 - H ASN 84 poor 9 68 - 13 - 3.0/6926=3, 11349/5.7=1 HB2 PRO 118 - H ASN 84 lone 8 94 - 8 - 9644/10452=2 HB2 ARG 140 - H ASN 84 lone 7 72 - 9 - 2519/4.3=1, 2502/3.6=1...(4) HB3 ARG 89 - H ASN 84 lone 3 68 - 5 - 2519/4.3=1 HB2 GLN 62 - H ASN 84 lone 2 77 - 2 - Peak 6928 from nnoeabs.peaks (0.67, 8.89, 119.41 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.95: * QD1 ILE 83 + H ASN 84 OK 89 100 - 89 - 2545=23, 3.1/2521=21...(22) QD2 LEU 39 + H ASN 84 OK 33 94 - 35 - 6914/3.2=5, 2503/3.6=5...(12) QD2 LEU 66 + H ASN 84 OK 33 96 - 34 - 6914/3.2=7, 2503/3.6=6...(11) HB3 LEU 116 - H ASN 84 OK 17 99 - 17 - 2520/4.3=4, 2512/4.7=3...(5) Peak 6929 from nnoeabs.peaks (4.43, 8.89, 119.41 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 84 + H ASN 84 OK 100 100 - 100 - 2.9=100 HA ILE 58 - H ASN 84 OK 31 100 - 31 - 10037/4.3=4, 6953/3.1=4...(16) HA ASP 40 - H ASN 84 OK 22 89 - 25 - 2.9/6934=4, 6953/3.1=3...(13) Peak 6930 from nnoeabs.peaks (2.71, 8.89, 119.41 ppm; 3.14 A): 1 out of 6 assignments used, quality = 0.80: * HB2 ASN 84 + H ASN 84 OK 80 100 - 80 - 4.0=47, 1.8/6931=24...(10) HB3 MET 46 - H ASN 84 lone 7 98 - 7 - 2548/2.9=2, 6954/3.1=2 HB3 CYS 121 - H ASN 84 lone 6 96 - 6 - 2548/2.9=1 HB3 GLU 120 - H ASN 84 lone 6 85 - 7 - 2548/2.9=2, 2564/4.0=2 HB3 TYR 70 - H ASN 84 lone 5 72 - 7 - 6954/3.1=1, 1.8/6918=1 HB2 PHE 38 - H ASN 84 lone 4 72 - 5 - 2548/2.9=1 Peak 6931 from nnoeabs.peaks (2.78, 8.89, 119.41 ppm; 3.12 A): 2 out of 4 assignments used, quality = 0.86: * HB3 ASN 84 + H ASN 84 OK 82 100 - 82 - 4.0=46, 1.8/6930=25...(12) HB3 TYR 119 + H ASN 84 OK 23 100 - 23 - 2549/2.9=6, 2557/4.0=4...(7) HB2 ASP 41 - H ASN 84 lone 8 89 - 9 - 2549/2.9=2, 6955/3.1=2 HG3 GLN 111 - H ASN 84 lone 6 100 - 6 - 2549/2.9=2, 2557/4.0=1 Peak 6932 from nnoeabs.peaks (6.64, 8.89, 119.41 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.87: * HD21 ASN 84 + H ASN 84 OK 87 100 - 87 - 5.7=49, 1.7/6933=35...(7) Peak 6933 from nnoeabs.peaks (7.43, 8.89, 119.41 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.84: * HD22 ASN 84 + H ASN 84 OK 79 100 - 79 - 5.7=33, 1.7/6932=31...(7) H ILE 101 + H ASN 84 OK 23 100 - 22 - 2551/2.9=5, 11149/4.3=4...(7) Peak 6934 from nnoeabs.peaks (8.56, 8.89, 119.41 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 85 + H ASN 84 OK 100 100 - 100 - 3.1=100 H ASP 40 - H ASN 84 OK 22 77 - 28 - 2552/2.9=4, 2.9/6929=4...(11) H LEU 72 - H ASN 84 OK 16 94 - 17 - 3.6/6921=2, 2552/2.9=2...(9) Peak 6935 from nnoeabs.peaks (6.64, 6.64, 110.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 84 + HD21 ASN 84 OK 100 100 - 100 Peak 6936 from nnoeabs.peaks (8.89, 6.64, 110.66 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.89: * H ASN 84 + HD21 ASN 84 OK 83 100 - 83 - 6932=42, 6933/1.7=32...(7) H LYS 34 + HD21 ASN 84 OK 31 98 - 32 - 6942/1.7=11, 8092/3.5=10...(5) Peak 6937 from nnoeabs.peaks (4.43, 6.64, 110.66 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 84 + HD21 ASN 84 OK 100 100 - 100 - 4.5=100 HA ILE 58 - HD21 ASN 84 OK 32 100 - 32 - 6943/1.7=9, 2555/3.5=9...(5) HA ASP 40 - HD21 ASN 84 OK 24 89 - 27 - 2563/3.5=7, 2555/3.5=7...(5) Peak 6938 from nnoeabs.peaks (2.71, 6.64, 110.66 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.96: * HB2 ASN 84 + HD21 ASN 84 OK 96 100 - 96 - 3.5=89, 6944/1.7=29...(8) HB3 MET 46 - HD21 ASN 84 lone 7 98 - 7 - 6944/1.7=2, 2564/3.5=2 HB3 GLU 120 - HD21 ASN 84 lone 6 85 - 7 - 2564/3.5=2, 6944/1.7=2 HB3 CYS 121 - HD21 ASN 84 lone 5 96 - 5 - 6944/1.7=1, 2564/3.5=1 HB3 TYR 70 - HD21 ASN 84 lone 3 72 - 4 - 2564/3.5=1 HB2 PHE 38 - HD21 ASN 84 lone 3 72 - 4 - Peak 6939 from nnoeabs.peaks (2.78, 6.64, 110.66 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.95: * HB3 ASN 84 + HD21 ASN 84 OK 95 100 - 95 - 3.5=87, 1.8/6938=28...(7) HB3 TYR 119 - HD21 ASN 84 OK 22 100 - 22 - 6945/1.7=6, 2557/3.5=6...(5) HB2 ASP 41 - HD21 ASN 84 lone 7 89 - 8 - 6945/1.7=2, 2557/3.5=2...(4) HG3 GLN 111 - HD21 ASN 84 lone 6 100 - 6 - 6945/1.7=2, 2557/3.5=2 Peak 6940 from nnoeabs.peaks (7.43, 6.64, 110.66 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 84 + HD21 ASN 84 OK 100 100 - 100 - 1.7=100 H ILE 101 - HD21 ASN 84 lone 7 100 - 7 - 2559/3.5=1, ~3320=1...(5) Peak 6941 from nnoeabs.peaks (7.43, 7.43, 110.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 84 + HD22 ASN 84 OK 100 100 - 100 Peak 6942 from nnoeabs.peaks (8.89, 7.43, 110.66 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.93: * H ASN 84 + HD22 ASN 84 OK 88 100 - 88 - 5.7=48, 6932/1.7=39...(7) H LYS 34 + HD22 ASN 84 OK 37 98 - 38 - 6936/1.7=11, 8092/3.5=11...(8) Peak 6943 from nnoeabs.peaks (4.43, 7.43, 110.66 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 84 + HD22 ASN 84 OK 100 100 - 100 - 4.5=100 HA ILE 58 - HD22 ASN 84 OK 33 100 - 33 - 2555/3.5=8, 2563/3.5=8...(9) HA ASP 40 - HD22 ASN 84 OK 23 89 - 26 - 2563/3.5=6, 2555/3.5=6...(6) Peak 6944 from nnoeabs.peaks (2.71, 7.43, 110.66 ppm; 3.37 A): 1 out of 6 assignments used, quality = 0.96: * HB2 ASN 84 + HD22 ASN 84 OK 96 100 - 96 - 3.5=88, 6938/1.7=28...(9) HB3 MET 46 - HD22 ASN 84 lone 7 98 - 7 - 6938/1.7=2, 2564/3.5=2 HB3 GLU 120 - HD22 ASN 84 lone 6 85 - 7 - 2564/3.5=2, 6938/1.7=2 HB3 CYS 121 - HD22 ASN 84 lone 5 96 - 5 - 6938/1.7=1, 2564/3.5=1 HB3 TYR 70 - HD22 ASN 84 lone 3 72 - 4 - 2564/3.5=1 HB2 PHE 38 - HD22 ASN 84 lone 3 72 - 4 - Peak 6945 from nnoeabs.peaks (2.78, 7.43, 110.66 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.95: * HB3 ASN 84 + HD22 ASN 84 OK 95 100 - 95 - 3.5=86, 1.8/6944=28...(8) HB3 TYR 119 - HD22 ASN 84 OK 23 100 - 23 - 2557/3.5=6, 6939/1.7=6...(5) HB2 ASP 41 - HD22 ASN 84 lone 7 89 - 8 - 6939/1.7=2, 2557/3.5=2...(4) HG3 GLN 111 - HD22 ASN 84 lone 7 100 - 7 - 6939/1.7=2, 2557/3.5=2 Peak 6946 from nnoeabs.peaks (6.64, 7.43, 110.66 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 84 + HD22 ASN 84 OK 100 100 - 100 - 1.7=100 Peak 6947 from nnoeabs.peaks (8.56, 8.56, 116.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 85 + H LYS 85 OK 100 100 - 100 Peak 6948 from nnoeabs.peaks (4.02, 8.56, 116.66 ppm; 3.74 A): 4 out of 7 assignments used, quality = 0.74: * HA GLU 81 + H LYS 85 OK 49 100 - 49 - 2438/3.1=13, 4.8/6949=9...(13) HA VAL 63 + H LYS 85 OK 28 99 - 28 - 8364/3.6=6, 10956/3.9=5...(7) HA GLU 37 + H LYS 85 OK 19 100 - 19 - 6919/3.1=4, 2440/4.7=3...(5) HA LYS 123 + H LYS 85 OK 14 100 - 14 - 6919/3.1=3, 3.0/6962=2...(5) HB THR 107 - H LYS 85 lone 9 98 - 9 - 2553/4.7=2, 2561/4.7=2...(5) HB3 SER 100 - H LYS 85 lone 7 85 - 8 - 6919/3.1=2, 10033/3.6=1 HB2 SER 103 - H LYS 85 lone 2 85 - 3 - Peak 6949 from nnoeabs.peaks (2.98, 8.56, 116.66 ppm; 4.09 A): 3 out of 6 assignments used, quality = 0.91: * HA VAL 82 + H LYS 85 OK 84 100 - 84 - 2.4/10037=24, 2475=20...(18) HA VAL 71 + H LYS 85 OK 32 85 - 37 - 2082=5, 2580/3.9=5...(12) HB3 ASN 128 + H LYS 85 OK 13 100 - 13 - 2580/3.9=2, 6921/3.1=2...(6) HB2 ASP 30 - H LYS 85 lone 9 99 - 9 - 2592/3.9=2, 8901/8906=2...(4) HB3 TYR 27 - H LYS 85 lone 6 72 - 8 - 2592/3.9=1, 8901/8906=1 HB3 HIS 14 - H LYS 85 lone 3 92 - 3 - Peak 6950 from nnoeabs.peaks (7.90, 8.56, 116.66 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.71: * H ILE 83 + H LYS 85 OK 61 100 - 61 - 4.4/10037=20...(7) HD22 ASN 139 + H LYS 85 OK 25 99 - 25 - 6922/3.1=10, 8838/3.6=9...(6) Peak 6952 from nnoeabs.peaks (8.89, 8.56, 116.66 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 84 + H LYS 85 OK 100 100 - 100 - 3.1=100 H LYS 34 - H LYS 85 OK 18 98 - 18 - 2546/3.6=5, 8092/4.7=5...(6) Peak 6953 from nnoeabs.peaks (4.43, 8.56, 116.66 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 84 + H LYS 85 OK 100 100 - 100 - 3.6=99, 3.0/6954=23...(11) HA ILE 58 - H LYS 85 OK 27 100 - 27 - 6929/3.1=6, 3.0/6959=5...(8) HA ASP 40 - H LYS 85 OK 20 89 - 22 - 6929/3.1=4, 2563/4.7=3...(11) Peak 6954 from nnoeabs.peaks (2.71, 8.56, 116.66 ppm; 3.20 A): 1 out of 6 assignments used, quality = 0.73: * HB2 ASN 84 + H LYS 85 OK 73 100 - 73 - 4.7=32, 1.8/6955=26...(9) HB3 MET 46 - H LYS 85 lone 6 98 - 6 - 2548/3.6=2, 6930/3.1=2 HB3 TYR 70 - H LYS 85 lone 6 72 - 8 - 4.4/6732=2, 3.6/6716=2...(4) HB3 GLU 120 - H LYS 85 lone 5 85 - 6 - 2548/3.6=2, 2564/4.7=1 HB2 PHE 38 - H LYS 85 lone 4 72 - 5 - HB3 CYS 121 - H LYS 85 lone 4 96 - 4 - 6930/3.1=1, 2548/3.6=1 Peak 6955 from nnoeabs.peaks (2.78, 8.56, 116.66 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.77: * HB3 ASN 84 + H LYS 85 OK 72 100 - 72 - 4.7=29, 1.8/6954=24...(10) HB3 TYR 119 + H LYS 85 OK 17 100 - 17 - 2549/3.6=4, 6931/3.1=4...(4) HB2 ASP 41 - H LYS 85 lone 7 89 - 7 - 6931/3.1=2, 2549/3.6=2 HG3 GLN 111 - H LYS 85 lone 5 100 - 5 - 2549/3.6=1, 6931/3.1=1 Peak 6958 from nnoeabs.peaks (4.22, 8.56, 116.66 ppm; 3.18 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 85 + H LYS 85 OK 100 100 - 100 - 3.0=100 HA LYS 93 - H LYS 85 OK 27 96 - 29 - 2594/3.9=4, 2582/3.9=4...(12) HB THR 102 - H LYS 85 OK 14 89 - 15 - 3374/3.0=2, 2582/3.9=2...(6) HA THR 102 - H LYS 85 OK 12 89 - 14 - 3370/3.0=3, 2582/3.9=2...(5) HA PHE 45 - H LYS 85 lone 7 96 - 7 - 1020/3.9=1 HA ILE 101 - H LYS 85 lone 5 81 - 7 - ~6933=2 HA ARG 141 - H LYS 85 lone 3 68 - 4 - HA ALA 134 - H LYS 85 lone 2 68 - 3 - Peak 6959 from nnoeabs.peaks (1.70, 8.56, 116.66 ppm; 3.18 A): 2 out of 5 assignments used, quality = 0.93: * HB2 LYS 85 + H LYS 85 OK 89 100 - 89 - 3.9=53, 3.0/6961=22...(23) HD2 LYS 86 + H LYS 85 OK 39 100 - 39 - 2725/4.7=7, 5.4/8867=6...(13) HB ILE 58 - H LYS 85 OK 27 100 - 27 - 1554/3.6=5, 3.0/6953=4...(9) HB3 LEU 95 - H LYS 85 OK 16 100 - 16 - 8853/3.6=2, 2571/3.0=2...(8) HG LEU 26 - H LYS 85 lone 4 81 - 5 - Peak 6960 from nnoeabs.peaks (1.86, 8.56, 116.66 ppm; 3.34 A): 2 out of 8 assignments used, quality = 0.94: * HB3 LYS 85 + H LYS 85 OK 92 100 - 92 - 3.9=62, 3.0/6961=24...(19) HB3 LYS 76 + H LYS 85 OK 32 99 - 32 - 2572/3.0=5, 2584/3.9=4...(16) HB2 LYS 48 - H LYS 85 OK 25 94 - 27 - 2572/3.0=4, 2584/3.9=3...(16) HB3 LYS 48 - H LYS 85 OK 18 72 - 25 - 1148/3.0=3, 2584/3.9=2...(13) HG LEU 69 - H LYS 85 OK 14 100 - 14 - 2.1/9876=3, 2572/3.0=2...(6) HB3 GLU 28 - H LYS 85 lone 7 98 - 7 - 2572/3.0=1, 2584/3.9=1 HB2 LYS 36 - H LYS 85 lone 6 81 - 8 - 2572/3.0=1, ~10781=1 HB2 ARG 144 - H LYS 85 lone 5 85 - 6 - 2572/3.0=1, 2584/3.9=1 Peak 6961 from nnoeabs.peaks (1.32, 8.56, 116.66 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.87: * HG2 LYS 85 + H LYS 85 OK 86 100 - 86 - 2604=23, 2573/3.0=22...(30) HG LEU 79 + H LYS 85 OK 11 72 - 15 - 2573/3.0=3, 2585/3.9=3...(6) Peak 6962 from nnoeabs.peaks (1.52, 8.56, 116.66 ppm; 3.08 A): 3 out of 9 assignments used, quality = 0.93: * HG3 LYS 85 + H LYS 85 OK 87 100 - 87 - 1.8/6961=29, 5.1=22...(29) HG2 LYS 93 + H LYS 85 OK 31 94 - 33 - 2574/3.0=4, 2598/3.9=3...(16) HG3 LYS 76 + H LYS 85 OK 29 94 - 31 - 2574/3.0=4, 3.0/6960=4...(13) QB ALA 135 - H LYS 85 OK 28 100 - 28 - 10452/3.1=11...(6) HD2 LYS 76 - H LYS 85 OK 20 81 - 24 - 3.5/6960=3, 2574/3.0=3...(11) HB2 LYS 123 - H LYS 85 OK 13 99 - 13 - 3.0/6948=2, 9465/10036=2...(5) HB2 LEU 29 - H LYS 85 OK 13 99 - 13 - 3.1/8071=3, 6974/4.7=1...(5) HG3 PRO 57 - H LYS 85 OK 11 100 - 11 - 2.3/10587=2, ~8861=1...(4) HB2 GLU 122 - H LYS 85 lone 3 81 - 4 - Peak 6963 from nnoeabs.peaks (1.57, 8.56, 116.66 ppm; 3.37 A): 2 out of 9 assignments used, quality = 0.98: * HD2 LYS 85 + H LYS 85 OK 89 100 - 89 - 3.0/6961=25, 5.7=21...(30) HD3 LYS 85 + H LYS 85 OK 81 92 - 88 - 3.0/6961=25, 5.7=21...(29) HG2 ARG 109 - H LYS 85 OK 21 99 - 22 - 2575/3.0=3, 2587/3.9=3...(10) HG3 ARG 109 - H LYS 85 OK 17 77 - 22 - 2576/3.0=3, 3561/3.9=3...(11) HG3 ARG 145 - H LYS 85 OK 10 100 - 10 - 2575/3.0=2, 2587/3.9=2 HG2 ARG 145 - H LYS 85 OK 10 100 - 10 - 2575/3.0=2, 2587/3.9=2 HB2 LEU 126 - H LYS 85 lone 10 100 - 10 - 4277/3.9=2, 2575/3.0=1...(4) HB2 LEU 66 - H LYS 85 lone 5 99 - 5 - ~6928=2 HG3 ARG 124 - H LYS 85 lone 1 85 - 2 - Peak 6964 from nnoeabs.peaks (1.57, 8.56, 116.66 ppm; 3.37 A): 2 out of 9 assignments used, quality = 0.98: * HD3 LYS 85 + H LYS 85 OK 88 100 - 88 - 3.0/6961=25, 5.7=21...(29) HD2 LYS 85 + H LYS 85 OK 81 92 - 88 - 3.0/6961=25, 5.7=21...(30) HG3 ARG 109 - H LYS 85 OK 25 99 - 25 - 3561/3.9=5, 2576/3.0=4...(12) HG2 ARG 109 - H LYS 85 OK 16 77 - 20 - 2575/3.0=3, 2587/3.9=3...(10) HG2 ARG 145 - H LYS 85 lone 9 96 - 10 - 2575/3.0=2, 2587/3.9=1 HB2 LEU 126 - H LYS 85 lone 9 96 - 9 - 4277/3.9=1, 2576/3.0=1...(4) HG3 ARG 145 - H LYS 85 lone 9 92 - 9 - 2575/3.0=1, 2587/3.9=1 HB2 LEU 66 - H LYS 85 lone 5 99 - 5 - ~6928=2 HG3 ARG 124 - H LYS 85 lone 2 100 - 2 - Peak 6967 from nnoeabs.peaks (7.55, 8.56, 116.66 ppm; 2.96 A): 1 out of 2 assignments used, quality = 0.76: * H LYS 86 + H LYS 85 OK 76 100 - 76 - 6969=35, 8839/3.6=12...(15) HD21 ASN 54 - H LYS 85 lone 9 100 - 9 - 2579/3.0=2, 8839/3.6=1...(4) Peak 6968 from nnoeabs.peaks (7.55, 7.55, 117.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + H LYS 86 OK 100 100 - 100 Peak 6969 from nnoeabs.peaks (8.56, 7.55, 117.50 ppm; 2.99 A): 3 out of 3 assignments used, quality = 0.86: * H LYS 85 + H LYS 86 OK 80 100 - 80 - 6967=45, 3.6/8839=12...(15) H LEU 72 + H LYS 86 OK 19 94 - 20 - 2569/3.6=3, 8867/3.0=3...(8) H ASP 40 + H LYS 86 OK 12 77 - 15 - 2569/3.6=2, 2.9/10049=2...(7) Peak 6970 from nnoeabs.peaks (4.22, 7.55, 117.50 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 85 + H LYS 86 OK 100 100 - 100 - 3.6=100 HA LYS 93 - H LYS 86 OK 24 96 - 25 - 2582/4.6=4, 2594/4.6=4...(8) HB THR 102 - H LYS 86 OK 13 89 - 14 - 2582/4.6=2, 2.1/8868=2...(6) HA THR 102 - H LYS 86 OK 11 89 - 13 - 3370/3.6=3, 3.2/8868=2...(6) HA PHE 45 - H LYS 86 lone 5 96 - 5 - 1020/4.6=1 HA ILE 101 - H LYS 86 lone 5 81 - 6 - HA ALA 134 - H LYS 86 lone 4 68 - 6 - 2.1/6983=2 HA ARG 141 - H LYS 86 lone 4 68 - 5 - Peak 6971 from nnoeabs.peaks (1.70, 7.55, 117.50 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.99: HD2 LYS 86 + H LYS 86 OK 91 100 - 91 - 2725=21, 1.8/2736=19...(35) * HB2 LYS 85 + H LYS 86 OK 87 100 - 87 - 4.6=46, 3.0/6973=23...(18) HB3 LEU 95 - H LYS 86 OK 35 100 - 35 - 2687/4.0=6, 2676/3.0=6...(12) HB ILE 58 - H LYS 86 OK 28 100 - 28 - 2571/3.6=4, 2595/4.6=3...(14) HG LEU 26 - H LYS 86 OK 11 81 - 14 - 2676/3.0=2, 2687/4.0=2...(5) Peak 6972 from nnoeabs.peaks (1.86, 7.55, 117.50 ppm; 3.69 A): 5 out of 8 assignments used, quality = 0.94: * HB3 LYS 85 + H LYS 86 OK 86 100 - 86 - 4.6=50, 3.0/6973=25...(12) HB3 LYS 76 + H LYS 86 OK 33 99 - 34 - 1.8/6983=7, 2572/3.6=5...(13) HG LEU 69 + H LYS 86 OK 20 100 - 20 - 3.0/6982=4, 2031/4.0=2...(9) HB2 LYS 48 + H LYS 86 OK 17 94 - 18 - 2572/3.6=4, 2584/4.6=3...(6) HB3 LYS 48 + H LYS 86 OK 11 72 - 15 - 2572/3.6=3, 2.9/11672=2...(5) HB2 ARG 144 - H LYS 86 lone 6 85 - 6 - 2572/3.6=1, 2584/4.6=1 HB3 GLU 28 - H LYS 86 lone 5 98 - 5 - 2572/3.6=1, 2584/4.6=1 HB2 LYS 36 - H LYS 86 lone 5 81 - 6 - 2572/3.6=1 Peak 6973 from nnoeabs.peaks (1.32, 7.55, 117.50 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.72: * HG2 LYS 85 + H LYS 86 OK 68 100 - 69 - 2573/3.6=23, 6961/4.7=16...(13) HG LEU 79 + H LYS 86 OK 12 72 - 16 - 2573/3.6=3, 2585/4.6=3...(6) Peak 6974 from nnoeabs.peaks (1.52, 7.55, 117.50 ppm; 3.50 A): 8 out of 9 assignments used, quality = 0.94: * HG3 LYS 85 + H LYS 86 OK 70 100 - 70 - 1.8/6973=30, 10046=15...(14) HG3 LYS 76 + H LYS 86 OK 28 94 - 30 - 3.0/6983=5, 2574/3.6=5...(9) HB2 LEU 29 + H LYS 86 OK 26 99 - 26 - 348/3.0=5, ~356=3...(13) HG3 PRO 57 + H LYS 86 OK 22 100 - 22 - 2.3/6981=5, 1539/4.0=4...(7) HG2 LYS 93 + H LYS 86 OK 22 94 - 23 - 2574/3.6=5, 2598/4.6=3...(7) QB ALA 135 + H LYS 86 OK 19 100 - 19 - 10452/8866=4...(6) HD2 LYS 76 + H LYS 86 OK 18 81 - 22 - 3.5/6983=4, 3.5/6972=4...(9) HB2 LYS 123 + H LYS 86 OK 12 99 - 12 - 9465/8870=3, 9465/8870=1...(4) HB2 GLU 122 - H LYS 86 lone 2 81 - 3 - Peak 6977 from nnoeabs.peaks (2.95, 7.55, 117.50 ppm; 6.57 A): 2 out of 12 assignments used, quality = 0.98: * HE2 LYS 85 + H LYS 86 OK 88 100 - 88 - 3.5/6973=42...(8) HE3 LYS 85 + H LYS 86 OK 86 98 - 88 - 3.5/6973=42...(8) HE2 LYS 93 - H LYS 86 OK 37 100 - 37 - 2577/3.6=7, 2601/4.6=7...(8) HE2 LYS 48 - H LYS 86 OK 33 100 - 33 - 2577/3.6=6, 2601/4.6=6...(9) HE3 LYS 48 - H LYS 86 OK 33 100 - 33 - 2577/3.6=6, 2601/4.6=6...(9) HE3 LYS 93 - H LYS 86 OK 33 89 - 37 - 2578/3.6=7, 2602/4.6=7...(9) HB2 TYR 115 - H LYS 86 OK 23 100 - 23 - 3839/4.7=12, 4.0/6988=8 HE3 LYS 61 - H LYS 86 OK 16 68 - 24 - 3.8/8868=7, 3.8/8868=5...(6) HE2 LYS 61 - H LYS 86 OK 16 68 - 23 - 3.8/8868=7, 3.8/8868=5...(5) HB2 PHE 106 - H LYS 86 lone 7 100 - 7 - HB3 PHE 67 - H LYS 86 lone 5 100 - 5 - HB3 ASN 130 - H LYS 86 lone 2 72 - 3 - Peak 6978 from nnoeabs.peaks (2.94, 7.55, 117.50 ppm; 6.57 A): 2 out of 12 assignments used, quality = 0.98: * HE3 LYS 85 + H LYS 86 OK 88 100 - 88 - 3.5/6973=42...(8) HE2 LYS 85 + H LYS 86 OK 86 98 - 88 - 3.5/6973=42...(8) HE3 LYS 93 - H LYS 86 OK 37 99 - 38 - 2578/3.6=7, 2602/4.6=7...(9) HE2 LYS 93 - H LYS 86 OK 36 96 - 37 - 2577/3.6=7, 2601/4.6=7...(8) HE3 LYS 48 - H LYS 86 OK 33 100 - 33 - 2578/3.6=6, 2602/4.6=6...(9) HE2 LYS 48 - H LYS 86 OK 31 94 - 33 - 2577/3.6=6, 2601/4.6=6...(9) HE3 LYS 61 - H LYS 86 OK 22 89 - 25 - 3.8/8868=7, 3.8/8868=5...(6) HE2 LYS 61 - H LYS 86 OK 22 89 - 25 - 3.8/8868=7, 3.8/8868=5...(6) HB2 TYR 115 - H LYS 86 OK 20 94 - 21 - 3839/4.7=11, 4.0/6988=8 HB2 PHE 106 - H LYS 86 lone 6 92 - 7 - HB3 PHE 67 - H LYS 86 lone 4 92 - 4 - HB3 ASN 130 - H LYS 86 lone 3 92 - 4 - Peak 6979 from nnoeabs.peaks (3.93, 7.55, 117.50 ppm; 2.79 A): 2 out of 5 assignments used, quality = 0.95: * HA LYS 86 + H LYS 86 OK 93 100 - 93 - 3.0=84, 3.6/6990=14...(13) HD3 PRO 129 + H LYS 86 OK 37 85 - 44 - 2.3/6981=6, 4364/3.0=5...(25) HD2 PRO 129 - H LYS 86 OK 35 85 - 41 - 2.3/6981=6, 4357/3.0=4...(24) HA LEU 29 - H LYS 86 poor 9 89 - 10 - 2.9/6974=2 HA2 GLY 143 - H LYS 86 lone 6 100 - 6 - Peak 6980 from nnoeabs.peaks (1.92, 7.55, 117.50 ppm; 3.45 A): 2 out of 13 assignments used, quality = 0.97: * HB2 LYS 86 + H LYS 86 OK 95 100 - 95 - 4.0=64, 2.9/6983=18...(28) HG13 ILE 83 + H LYS 86 OK 38 100 - 38 - 3.8/10048=16...(11) HG3 PRO 12 - H LYS 86 OK 20 94 - 21 - ~10050=4, 2672/3.0=4...(8) HB3 LEU 69 - H LYS 86 OK 19 81 - 23 - 1.8/6982=5, 3.0/6972=3...(8) HB3 LEU 132 - H LYS 86 OK 18 92 - 20 - 1.8/8868=5, 2672/3.0=2...(6) HG2 PRO 12 - H LYS 86 OK 17 85 - 20 - ~10050=4, ~2672=3...(8) QE MET 68 - H LYS 86 OK 14 89 - 15 - 8451/10048=3, 2672/3.0=2...(5) HB ILE 136 - H LYS 86 lone 9 99 - 9 - 2672/3.0=1, 2694/4.0=1 HB2 MET 59 - H LYS 86 lone 6 100 - 6 - HB2 PRO 118 - H LYS 86 lone 5 98 - 5 - 2672/3.0=1 HB2 ARG 140 - H LYS 86 lone 4 81 - 5 - HB ILE 101 - H LYS 86 lone 3 62 - 5 - HB2 GLN 62 - H LYS 86 lone 2 85 - 2 - Peak 6981 from nnoeabs.peaks (2.18, 7.55, 117.50 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LYS 86 + H LYS 86 OK 97 100 - 97 - 4.0=74, 1.8/2681=21...(28) HG2 PRO 129 + H LYS 86 OK 65 99 - 66 - 4396/3.0=9, 2.3/6979=9...(23) HB3 PRO 57 - H LYS 86 OK 32 100 - 32 - 2673/3.0=5, 2684/4.0=5...(11) HB2 GLN 25 - H LYS 86 poor 8 68 - 12 - 2673/3.0=3, 2684/4.0=2...(4) HB2 MET 46 - H LYS 86 lone 5 68 - 7 - 2673/3.0=1, 2684/4.0=1 HB2 MET 113 - H LYS 86 lone 5 68 - 7 - 2673/3.0=1, 2684/4.0=1 Peak 6982 from nnoeabs.peaks (1.39, 7.55, 117.50 ppm; 3.18 A): 5 out of 8 assignments used, quality = 0.93: * HG2 LYS 86 + H LYS 86 OK 85 100 - 85 - 4.9=27, 1.8/6983=20...(23) HG2 ARG 49 + H LYS 86 OK 23 99 - 23 - 2674/3.0=4, 2696/4.0=3...(8) HB2 LEU 69 + H LYS 86 OK 20 94 - 21 - 2674/3.0=3, 2685/4.0=3...(9) HB2 ARG 109 + H LYS 86 OK 16 85 - 19 - ~10745=3, 2674/3.0=2...(10) HG LEU 132 + H LYS 86 OK 12 72 - 16 - 3.0/8868=4, 2674/3.0=2...(5) HB3 LEU 39 - H LYS 86 lone 5 68 - 7 - 4.3/6969=2 HG LEU 116 - H LYS 86 lone 4 77 - 5 - HB2 ARG 35 - H LYS 86 lone 2 68 - 3 - Peak 6983 from nnoeabs.peaks (1.47, 7.55, 117.50 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.92: * HG3 LYS 86 + H LYS 86 OK 86 100 - 86 - 4.9=30, 1.8/6982=19...(22) HB2 LYS 76 + H LYS 86 OK 23 85 - 27 - 1.8/6972=5, 2675/3.0=4...(10) HG LEU 126 + H LYS 86 OK 23 98 - 23 - 2675/3.0=5, 2686/4.0=4...(8) QB ALA 134 - H LYS 86 poor 9 81 - 10 - 4.0/6974=2, 2675/3.0=1...(4) Peak 6984 from nnoeabs.peaks (1.70, 7.55, 117.50 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.99: * HD2 LYS 86 + H LYS 86 OK 91 100 - 91 - 2725=21, 1.8/2736=19...(35) HB2 LYS 85 + H LYS 86 OK 87 100 - 87 - 4.6=46, 3.0/6973=23...(18) HB3 LEU 95 - H LYS 86 OK 35 100 - 35 - 2687/4.0=6, 2676/3.0=6...(12) HB ILE 58 - H LYS 86 OK 28 100 - 28 - 2571/3.6=4, 2595/4.6=3...(14) HG LEU 26 - H LYS 86 OK 10 77 - 13 - 2676/3.0=2, 2687/4.0=2...(5) Peak 6985 from nnoeabs.peaks (1.80, 7.55, 117.50 ppm; 4.03 A): 3 out of 8 assignments used, quality = 0.99: * HD3 LYS 86 + H LYS 86 OK 95 100 - 95 - 2736=32, 1.8/2725=24...(32) HD2 LYS 34 + H LYS 86 OK 47 92 - 51 - 2677/3.0=7, 2699/4.0=7...(19) HD3 LYS 34 + H LYS 86 OK 47 92 - 51 - 2677/3.0=7, 2699/4.0=7...(19) HB3 LEU 72 - H LYS 86 OK 21 92 - 22 - 3.4/6969=6...(8) HB3 LYS 24 - H LYS 86 OK 11 100 - 11 - 2677/3.0=2, 2699/4.0=1...(5) HB2 ARG 124 - H LYS 86 lone 7 100 - 6 - 2721/4.9=1, 2677/3.0=1 HB3 ARG 145 - H LYS 86 lone 3 89 - 3 - HB2 MET 11 - H LYS 86 lone 1 62 - 2 - Peak 6986 from nnoeabs.peaks (3.06, 7.55, 117.50 ppm; 4.33 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + H LYS 86 OK 94 100 - 94 - 7.1=23, 3.0/2736=22...(28) HE3 LYS 86 + H LYS 86 OK 94 100 - 94 - 7.1=23, 3.0/2736=22...(28) HE3 LYS 34 + H LYS 86 OK 51 96 - 53 - 2.9/6985=7, 2.9/6985=7...(19) HE2 LYS 34 + H LYS 86 OK 45 85 - 53 - 2.9/6985=7, 2.9/6985=7...(19) HD3 ARG 49 - H LYS 86 OK 18 68 - 26 - 3.0/6982=6, 3.0/11672=4...(10) HB3 TRP 88 - H LYS 86 OK 11 100 - 11 - 6999/4.7=3, 11572/8870=1...(4) HB3 ASP 30 - H LYS 86 lone 7 100 - 7 - 10053/3.6=1 HB2 TYR 27 - H LYS 86 lone 6 98 - 6 - HB2 HIS 10 - H LYS 86 lone 1 72 - 1 - Peak 6987 from nnoeabs.peaks (3.06, 7.55, 117.50 ppm; 4.48 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 86 + H LYS 86 OK 95 100 - 95 - 7.1=26, 3.0/2736=23...(28) HE2 LYS 86 + H LYS 86 OK 95 100 - 95 - 7.1=26, 3.0/2736=23...(28) HE3 LYS 34 + H LYS 86 OK 54 98 - 56 - 2.9/6985=7, 2.9/6985=7...(19) HE2 LYS 34 + H LYS 86 OK 50 89 - 56 - 2.9/6985=7, 2.9/6985=7...(19) HD3 ARG 49 - H LYS 86 OK 17 62 - 27 - 3.0/6982=6, 3.0/11672=4...(10) HB3 TRP 88 - H LYS 86 OK 11 99 - 11 - 6999/4.7=3, 11572/8870=2...(4) HB3 ASP 30 - H LYS 86 lone 8 99 - 8 - 10053/3.6=1 HB2 TYR 27 - H LYS 86 lone 6 99 - 6 - HB2 HIS 10 - H LYS 86 lone 1 77 - 1 - Peak 6988 from nnoeabs.peaks (8.12, 7.55, 117.50 ppm; 3.21 A): 2 out of 2 assignments used, quality = 0.80: * H LEU 87 + H LYS 86 OK 77 100 - 77 - 6990=41, 6991/3.0=16...(16) H TYR 115 + H LYS 86 OK 15 100 - 15 - 2680/3.0=4, 2724/4.9=2...(8) Peak 6989 from nnoeabs.peaks (8.12, 8.12, 116.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 87 + H LEU 87 OK 100 100 - 100 Peak 6990 from nnoeabs.peaks (7.55, 8.12, 116.88 ppm; 2.82 A): 2 out of 2 assignments used, quality = 0.69: * H LYS 86 + H LEU 87 OK 64 100 - 64 - 6988=28, 3.0/6991=12...(14) HD21 ASN 54 + H LEU 87 OK 14 100 - 14 - 2670/3.6=4, 2681/4.6=3...(4) Peak 6991 from nnoeabs.peaks (3.93, 8.12, 116.88 ppm; 3.16 A): 3 out of 5 assignments used, quality = 0.93: * HA LYS 86 + H LEU 87 OK 88 100 - 88 - 3.6=69, 3.0/6990=23...(14) HD3 PRO 129 + H LEU 87 OK 24 85 - 28 - 4364/3.6=5, 2.3/6993=4...(11) HD2 PRO 129 + H LEU 87 OK 23 85 - 27 - 2.3/6993=4, 4357/3.6=4...(10) HA2 GLY 143 - H LEU 87 lone 5 100 - 5 - HA LEU 29 - H LEU 87 lone 5 89 - 5 - Peak 6992 from nnoeabs.peaks (1.92, 8.12, 116.88 ppm; 3.85 A): 2 out of 13 assignments used, quality = 0.93: * HB2 LYS 86 + H LEU 87 OK 89 100 - 89 - 4.6=57, 4.0/6990=23...(12) HG13 ILE 83 + H LEU 87 OK 34 100 - 34 - 9991/8877=8, 1.8/7003=5...(10) HB3 LEU 132 - H LEU 87 OK 13 92 - 14 - 3.0/6994=2, 2672/3.6=2...(7) HG3 PRO 12 - H LEU 87 OK 13 94 - 14 - 2672/3.6=4, 2694/4.6=3...(4) HB3 LEU 69 - H LEU 87 OK 13 81 - 16 - 1.8/6994=4, 2694/4.6=2...(5) HB ILE 101 - H LEU 87 OK 13 62 - 20 - 3.0/7002=7, 3.0/8905=5...(5) HG2 PRO 12 - H LEU 87 poor 10 85 - 12 - 2672/3.6=3, 2694/4.6=2...(4) QE MET 68 - H LEU 87 poor 9 89 - 11 - 2672/3.6=2, 8454/8908=1...(4) HB ILE 136 - H LEU 87 lone 8 99 - 8 - 2672/3.6=2, 2694/4.6=1 HB2 GLN 62 - H LEU 87 lone 7 85 - 8 - ~1765=1, 1757/3.0=1, 10886/4.0=1 HB2 MET 59 - H LEU 87 lone 5 100 - 5 - HB2 PRO 118 - H LEU 87 lone 5 98 - 5 - 2672/3.6=1 HB2 ARG 140 - H LEU 87 lone 4 81 - 4 - Peak 6993 from nnoeabs.peaks (2.18, 8.12, 116.88 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LYS 86 + H LEU 87 OK 98 100 - 98 - 4.6=89, 4.0/6990=30...(13) HG2 PRO 129 + H LEU 87 OK 53 99 - 54 - 4396/3.6=11, 2684/4.6=9...(15) HB3 PRO 57 - H LEU 87 OK 27 100 - 27 - 2673/3.6=7, 2684/4.6=6...(10) HB2 MET 113 - H LEU 87 poor 9 68 - 14 - 4.7/7412=6, 2673/3.6=2...(4) HB2 MET 46 - H LEU 87 poor 8 68 - 11 - 4.2/10479=4, 2673/3.6=2 HB2 GLN 25 - H LEU 87 poor 8 68 - 11 - 2673/3.6=3, 2684/4.6=3 Peak 6994 from nnoeabs.peaks (1.39, 8.12, 116.88 ppm; 3.70 A): 5 out of 8 assignments used, quality = 0.87: * HG2 LYS 86 + H LEU 87 OK 70 100 - 70 - 1.8/6995=16, 4.9/6990=16...(12) HG2 ARG 49 + H LEU 87 OK 30 99 - 30 - 2674/3.6=4, 2696/4.6=4...(13) HB2 LEU 69 + H LEU 87 OK 19 94 - 21 - 2674/3.6=3, 2685/4.6=3...(8) HB2 ARG 109 + H LEU 87 OK 15 85 - 17 - 2674/3.6=3, 11674/4.6=3...(7) HG LEU 132 + H LEU 87 OK 13 72 - 18 - 2674/3.6=2, 11674/4.6=2...(10) HG LEU 116 - H LEU 87 poor 9 77 - 11 - 4.9/7435=4 HB2 ARG 35 - H LEU 87 poor 8 68 - 12 - 3.8/8887=8 HB3 LEU 39 - H LEU 87 lone 6 68 - 9 - 4.3/8908=2, 11674/4.6=1 Peak 6995 from nnoeabs.peaks (1.47, 8.12, 116.88 ppm; 4.00 A): 3 out of 4 assignments used, quality = 0.92: * HG3 LYS 86 + H LEU 87 OK 79 100 - 79 - 2724=19, 4.9/6990=19...(13) HB2 LYS 76 + H LEU 87 OK 39 85 - 45 - 1.8/11673=12, 8654/4.4=9...(10) HG LEU 126 + H LEU 87 OK 39 98 - 40 - 3.0/11673=11, 2675/3.6=6...(13) QB ALA 134 - H LEU 87 poor 9 81 - 11 - 2675/3.6=2, 2686/4.6=1...(5) Peak 6996 from nnoeabs.peaks (1.70, 8.12, 116.88 ppm; 3.84 A): 4 out of 5 assignments used, quality = 0.93: * HD2 LYS 86 + H LEU 87 OK 71 100 - 71 - 11563=15, 3.0/2724=15...(12) HB2 LYS 85 + H LEU 87 OK 56 100 - 56 - 4.6/6990=19, 3.9/8908=12...(10) HB3 LEU 95 + H LEU 87 OK 29 100 - 30 - 2676/3.6=6, 2687/4.6=6...(10) HB ILE 58 + H LEU 87 OK 26 100 - 26 - 10065/4.4=5, 1557/4.0=4...(11) HG LEU 26 - H LEU 87 poor 8 77 - 11 - 2676/3.6=2, 2687/4.6=2...(4) Peak 6998 from nnoeabs.peaks (3.06, 8.12, 116.88 ppm; 5.96 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + H LEU 87 OK 89 100 - 89 - 3.0/11563=29...(10) HE3 LYS 86 + H LEU 87 OK 89 100 - 89 - 3.0/11563=29...(10) HB3 TRP 88 + H LEU 87 OK 62 100 - 62 - 4.0/7008=38...(9) HE3 LYS 34 - H LEU 87 OK 37 96 - 39 - 2678/3.6=8, 2690/4.6=8...(11) HE2 LYS 34 - H LEU 87 OK 31 85 - 36 - 2678/3.6=7, 2690/4.6=7...(10) HD3 ARG 49 - H LEU 87 OK 25 68 - 37 - 3.0/6994=9, 3.0/7001=4...(12) HB2 TYR 27 - H LEU 87 OK 12 98 - 12 - 7017/4.6=4, 2701/4.6=1 HB3 ASP 30 - H LEU 87 lone 9 100 - 9 - 2679/3.6=1 HB2 HIS 10 - H LEU 87 lone 2 72 - 2 - Peak 6999 from nnoeabs.peaks (3.06, 8.12, 116.88 ppm; 5.07 A): 3 out of 9 assignments used, quality = 0.98: * HE3 LYS 86 + H LEU 87 OK 80 100 - 80 - 3.0/11563=23...(9) HE2 LYS 86 + H LEU 87 OK 80 100 - 80 - 3.0/11563=23...(9) HB3 TRP 88 + H LEU 87 OK 52 99 - 52 - 4.0/7008=32, 11572/4.4=9...(7) HE3 LYS 34 - H LEU 87 OK 31 98 - 32 - 2678/3.6=6, 2690/4.6=6...(10) HE2 LYS 34 - H LEU 87 OK 26 89 - 30 - 2678/3.6=6, 2690/4.6=6...(10) HD3 ARG 49 - H LEU 87 OK 19 62 - 31 - 3.0/6994=8, 3.0/7001=4...(11) HB2 TYR 27 - H LEU 87 lone 9 99 - 9 - 7017/4.6=4 HB3 ASP 30 - H LEU 87 lone 7 99 - 7 - HB2 HIS 10 - H LEU 87 lone 1 77 - 1 - Peak 7000 from nnoeabs.peaks (4.64, 8.12, 116.88 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 87 + H LEU 87 OK 100 100 - 100 - 3.0=100 HA GLN 111 - H LEU 87 OK 21 99 - 21 - 2810/4.4=3, 2786/4.0=3...(10) HA ASP 32 - H LEU 87 OK 15 100 - 15 - 2786/4.0=2, 2810/4.4=2...(4) HG1 THR 110 - H LEU 87 OK 12 99 - 12 - 3.0/10241=3, ~9293=2, 2786/4.0=1 HA ASN 139 - H LEU 87 OK 12 81 - 14 - 2786/4.0=2, 2810/4.4=2...(5) HA ASP 16 - H LEU 87 lone 1 68 - 2 - Peak 7001 from nnoeabs.peaks (1.61, 8.12, 116.88 ppm; 3.58 A): 1 out of 11 assignments used, quality = 0.96: * HB2 LEU 87 + H LEU 87 OK 96 100 - 96 - 4.0=72, 1.8/7002=27...(20) HB3 LEU 64 - H LEU 87 OK 34 100 - 34 - 2777=6, 2771/3.0=5...(11) HG3 ARG 49 - H LEU 87 OK 18 100 - 18 - 1.8/6994=6, 2771/3.0=2...(9) HD2 LYS 24 - H LEU 87 OK 16 72 - 22 - 3.0/7003=5, 2771/3.0=3...(8) HG3 LYS 34 - H LEU 87 OK 13 72 - 18 - ~10799=3, ~10519=3...(9) HG3 LYS 48 - H LEU 87 poor 8 68 - 12 - 2811/4.4=2, 2803/4.8=2...(6) HG3 ARG 144 - H LEU 87 lone 7 100 - 7 - 2811/4.4=1, 2787/4.0=1 HG LEU 108 - H LEU 87 lone 6 92 - 7 - 7010/4.6=1, 2771/3.0=1 HB2 LEU 97 - H LEU 87 lone 5 85 - 6 - 11672/4.7=1 HG2 ARG 144 - H LEU 87 lone 4 72 - 6 - HG2 ARG 141 - H LEU 87 lone 2 89 - 2 - Peak 7002 from nnoeabs.peaks (1.23, 8.12, 116.88 ppm; 3.25 A): 3 out of 4 assignments used, quality = 0.93: * HB3 LEU 87 + H LEU 87 OK 88 100 - 88 - 4.0=54, 3.1/2801=16...(19) HG12 ILE 101 + H LEU 87 OK 25 100 - 25 - 2772/3.0=6, 2812/4.4=4...(8) HD3 LYS 123 + H LEU 87 OK 14 68 - 21 - 2.9/11412=6, 2772/3.0=3...(8) QG2 THR 107 - H LEU 87 lone 4 72 - 6 - 8808/8877=2 Peak 7003 from nnoeabs.peaks (1.30, 8.12, 116.88 ppm; 3.20 A): 5 out of 5 assignments used, quality = 0.93: * HG LEU 87 + H LEU 87 OK 83 100 - 83 - 5.2=24, 2.1/2801=20...(17) HG3 LYS 24 + H LEU 87 OK 24 100 - 24 - 11337/4.0=4, 2773/3.0=4...(8) HG12 ILE 83 + H LEU 87 OK 19 99 - 19 - 1.8/6992=4, 2773/3.0=3...(10) HG LEU 79 + H LEU 87 OK 19 94 - 20 - 2789/4.0=3, 2813/4.4=3...(8) HG13 ILE 58 + H LEU 87 OK 13 81 - 16 - 2.9/6996=3, 2773/3.0=2...(8) Peak 7004 from nnoeabs.peaks (0.71, 8.12, 116.88 ppm; 3.02 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 87 + H LEU 87 OK 87 100 - 87 - 4.4=32, 2.1/2801=18...(21) * QD2 LEU 87 + H LEU 87 OK 84 100 - 84 - 4.8=24, 2802/3.0=20...(22) Peak 7005 from nnoeabs.peaks (0.71, 8.12, 116.88 ppm; 3.02 A): 2 out of 2 assignments used, quality = 0.98: * QD1 LEU 87 + H LEU 87 OK 87 100 - 87 - 4.4=32, 2.1/2801=18...(21) QD2 LEU 87 + H LEU 87 OK 83 100 - 83 - 4.8=24, 2802/3.0=20...(22) Peak 7006 from nnoeabs.peaks (7.54, 8.12, 116.88 ppm; 2.87 A): 2 out of 3 assignments used, quality = 0.65: * H TRP 88 + H LEU 87 OK 56 100 - 56 - 7008=28, 7009/3.0=14...(11) H ILE 91 + H LEU 87 OK 21 94 - 22 - 11024/8877=5, 2776/3.0=4...(8) H LEU 95 - H LEU 87 lone 7 100 - 7 - 3.9/6996=2, 2776/3.0=1 Peak 7007 from nnoeabs.peaks (7.54, 7.54, 118.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 88 + H TRP 88 OK 100 100 - 100 Peak 7008 from nnoeabs.peaks (8.12, 7.54, 118.45 ppm; 3.23 A): 2 out of 2 assignments used, quality = 0.72: * H LEU 87 + H TRP 88 OK 66 100 - 66 - 4.6=34, 3.0/7009=18...(11) H TYR 115 + H TRP 88 OK 17 100 - 17 - 2769/3.6=6, 2785/4.6=4...(5) Peak 7009 from nnoeabs.peaks (4.64, 7.54, 118.45 ppm; 3.48 A): 1 out of 6 assignments used, quality = 0.97: * HA LEU 87 + H TRP 88 OK 97 100 - 97 - 3.6=92, 3.0/7008=23...(12) HA GLN 111 - H TRP 88 OK 12 99 - 12 - 2786/4.6=2, 7000/4.6=2...(4) HA ASP 32 - H TRP 88 lone 7 100 - 7 - 2786/4.6=2, 7000/4.6=1 HA ASN 139 - H TRP 88 lone 6 81 - 7 - 2786/4.6=1, 7000/4.6=1 HG1 THR 110 - H TRP 88 lone 4 99 - 4 - 7000/4.6=1, 2786/4.6=1 HA ASP 16 - H TRP 88 lone 1 68 - 1 - Peak 7010 from nnoeabs.peaks (1.61, 7.54, 118.45 ppm; 4.91 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 87 + H TRP 88 OK 100 100 - 100 - 4.6=100 HB3 LEU 64 + H TRP 88 OK 79 100 - 79 - 3.0/11675=14, 2784=11...(21) HG LEU 108 - H TRP 88 OK 36 92 - 39 - ~9266=10, ~9266=8...(8) HG3 ARG 49 - H TRP 88 OK 32 100 - 33 - 1.8/11674=10, 3.0/7017=4...(8) HB2 LEU 97 - H TRP 88 OK 26 85 - 31 - 3.1/10137=10, 4.0/9098=7...(7) HD2 LYS 24 - H TRP 88 OK 16 72 - 23 - 3.0/7012=5, 2771/3.6=4...(8) HG3 LYS 48 - H TRP 88 OK 13 68 - 19 - 3.8/11698=4, 2787/4.6=3...(8) HG3 LYS 34 - H TRP 88 OK 12 72 - 17 - 2771/3.6=3, 2787/4.6=3...(4) HG3 ARG 144 - H TRP 88 lone 9 100 - 9 - 2787/4.6=2, 2771/3.6=1 HG2 ARG 144 - H TRP 88 lone 5 72 - 6 - 2787/4.6=1, 2771/3.6=1 HG2 ARG 141 - H TRP 88 lone 4 89 - 5 - Peak 7011 from nnoeabs.peaks (1.23, 7.54, 118.45 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.95: * HB3 LEU 87 + H TRP 88 OK 95 100 - 95 - 4.6=77, 3.0/7009=29...(12) HG12 ILE 101 - H TRP 88 OK 26 100 - 26 - 2772/3.6=8, 2780/4.6=5...(7) HD3 LYS 123 - H TRP 88 OK 22 68 - 33 - 1.8/11675=10, 2.9/8884=7...(8) QG2 THR 107 - H TRP 88 lone 5 72 - 7 - 2772/3.6=1 Peak 7012 from nnoeabs.peaks (1.30, 7.54, 118.45 ppm; 4.57 A): 4 out of 5 assignments used, quality = 0.95: * HG LEU 87 + H TRP 88 OK 81 100 - 81 - 4.3/7009=24, 2.1/2808=24...(10) HG12 ILE 83 + H TRP 88 OK 45 99 - 46 - 10023/7.3=10, 3.8/8833=9...(12) HG LEU 79 + H TRP 88 OK 31 94 - 33 - 2789/4.6=6, 2773/3.6=5...(12) HG3 LYS 24 + H TRP 88 OK 30 100 - 30 - 11337/4.6=7, 2773/3.6=6...(8) HG13 ILE 58 - H TRP 88 OK 14 81 - 17 - 2773/3.6=4, 2789/4.6=4...(6) Peak 7013 from nnoeabs.peaks (0.71, 7.54, 118.45 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.95: * QD2 LEU 87 + H TRP 88 OK 80 100 - 80 - 2808=26, 2802/3.6=24...(18) QD1 LEU 87 + H TRP 88 OK 77 100 - 77 - 2.1/2808=19, 4.0/7009=18...(17) Peak 7014 from nnoeabs.peaks (0.71, 7.54, 118.45 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 87 + H TRP 88 OK 80 100 - 80 - 2808=26, 2802/3.6=24...(18) * QD1 LEU 87 + H TRP 88 OK 77 100 - 77 - 2.1/2808=19, 4.0/7009=18...(17) Peak 7015 from nnoeabs.peaks (4.17, 7.54, 118.45 ppm; 3.19 A): 1 out of 7 assignments used, quality = 1.00: * HA TRP 88 + H TRP 88 OK 100 100 - 100 - 3.0=100 HA LEU 64 - H TRP 88 OK 31 100 - 31 - 3.7/11675=6, 3.0/2784=4...(13) HA PHE 38 - H TRP 88 OK 18 100 - 18 - 2817=3, 2830/4.0=2...(7) HA GLU 120 - H TRP 88 OK 11 94 - 11 - 2817=1, 2830/4.0=1, 2840/4.0=1 HG1 THR 74 - H TRP 88 lone 9 100 - 9 - ~8619=1, ~8932=1...(4) HB3 SER 44 - H TRP 88 lone 3 85 - 3 - HB2 SER 44 - H TRP 88 lone 3 85 - 3 - Peak 7016 from nnoeabs.peaks (3.30, 7.54, 118.45 ppm; 3.20 A): 3 out of 4 assignments used, quality = 0.75: * HB2 TRP 88 + H TRP 88 OK 66 100 - 66 - 4.0=51, 1.8/7017=17...(7) HD3 ARG 109 + H TRP 88 OK 17 100 - 17 - 2819/3.0=4, 2841/4.0=3...(5) HD2 ARG 124 + H TRP 88 OK 11 100 - 11 - 2819/3.0=4, 2841/4.0=3 HB3 TRP 17 - H TRP 88 lone 3 85 - 3 - Peak 7017 from nnoeabs.peaks (3.07, 7.54, 118.45 ppm; 3.27 A): 5 out of 10 assignments used, quality = 0.84: * HB3 TRP 88 + H TRP 88 OK 71 100 - 71 - 4.0=54, 1.8/7016=24...(5) HB2 TYR 27 + H TRP 88 OK 14 92 - 16 - 2.6/7019=5, 2832/4.0=3...(5) HD3 ARG 49 + H TRP 88 OK 14 81 - 17 - 3.0/11674=4, 2820/3.0=3...(6) HE2 LYS 86 + H TRP 88 OK 13 100 - 13 - 3.9/11674=4, 6999/4.6=2...(4) HE3 LYS 86 + H TRP 88 OK 13 99 - 13 - 3.9/11674=4, 6999/4.6=2...(4) HA TYR 119 - H TRP 88 lone 4 62 - 7 - ~9424=1, 10303/6.2=1 HA2 GLY 78 - H TRP 88 lone 4 72 - 5 - 2820/3.0=1, ~8694=1 HE3 LYS 34 - H TRP 88 lone 3 89 - 4 - HE2 LYS 34 - H TRP 88 lone 2 72 - 3 - HB3 ASP 30 - H TRP 88 lone 2 100 - 2 - Peak 7019 from nnoeabs.peaks (7.20, 7.54, 118.45 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.79: * HE3 TRP 88 + H TRP 88 OK 71 100 - 71 - 2822/3.0=31, 6.2=30...(9) QD TYR 27 + H TRP 88 OK 30 100 - 30 - 11014/4.0=7, 11013/4.0=7...(6) H LYS 36 - H TRP 88 lone 7 77 - 9 - 10058/3.0=3, 8997/2978=1 H GLU 37 - H TRP 88 lone 6 62 - 10 - 2822/3.0=2...(3) Peak 7024 from nnoeabs.peaks (7.75, 7.54, 118.45 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.80: * H GLU 90 + H TRP 88 OK 80 100 - 80 - 11690/3.6=20...(20) Peak 7025 from nnoeabs.peaks (7.49, 9.54, 128.00 ppm; 2.97 A): 1 out of 6 assignments used, quality = 1.00: * HD1 TRP 88 + HE1 TRP 88 OK 100 100 - 100 - 2.6=100 HE ARG 49 - HE1 TRP 88 OK 19 89 - 21 - 2.9/8917=9, 3.9/10066=2...(9) H TYR 70 - HE1 TRP 88 OK 18 98 - 18 - 9210/10215=6, ~8492=3...(8) HE22 GLN 62 - HE1 TRP 88 lone 1 81 - 1 - HE21 GLN 47 - HE1 TRP 88 lone 1 100 - 1 - HE22 GLN 25 - HE1 TRP 88 lone 1 62 - 1 - Peak 7026 from nnoeabs.peaks (9.54, 9.54, 128.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 88 + HE1 TRP 88 OK 100 100 - 100 Peak 7027 from nnoeabs.peaks (6.83, 9.54, 128.00 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 88 + HE1 TRP 88 OK 100 100 - 100 - 2.8=100 QD PHE 67 - HE1 TRP 88 OK 28 98 - 28 - ~4598=4, 4637/5.0=4...(10) HD22 ASN 54 - HE1 TRP 88 lone 4 77 - 6 - 10019/10024=1, 8834/8914=1 Peak 7028 from nnoeabs.peaks (7.75, 7.75, 117.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 90 + H GLU 90 OK 100 100 - 100 Peak 7029 from nnoeabs.peaks (7.54, 7.75, 117.84 ppm; 2.94 A): 3 out of 3 assignments used, quality = 0.91: H ILE 91 + H GLU 90 OK 82 94 - 87 - 3.5=60, 3.5/7065=13...(18) * H TRP 88 + H GLU 90 OK 43 100 - 43 - 7024=10, 3.6/11690=7...(16) H LEU 95 + H GLU 90 OK 18 100 - 18 - 10069/3.5=3, 2913/2.9=2...(10) Peak 7030 from nnoeabs.peaks (4.17, 7.75, 117.84 ppm; 4.20 A): 3 out of 7 assignments used, quality = 0.74: * HA TRP 88 + H GLU 90 OK 57 100 - 57 - 3.0/7024=24, 7046/3.5=13...(12) HA LEU 64 + H GLU 90 OK 28 100 - 28 - 7046/3.5=7, 3.0/10074=5...(9) HG1 THR 74 + H GLU 90 OK 17 100 - 17 - 7046/3.5=4, 2.8/8956=3...(7) HA PHE 38 - H GLU 90 lone 9 100 - 9 - 7046/3.5=3, 7015/7024=1 HA GLU 120 - H GLU 90 lone 7 94 - 8 - 7046/3.5=2, 4013/8953=1 HB3 SER 44 - H GLU 90 lone 6 85 - 7 - 7046/3.5=2, ~7046=1 HB2 SER 44 - H GLU 90 lone 5 85 - 6 - 7046/3.5=2, ~7046=1 Peak 7031 from nnoeabs.peaks (4.29, 7.75, 117.84 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 89 + H GLU 90 OK 100 100 - 100 - 3.5=100 HA PRO 118 - H GLU 90 OK 12 72 - 17 - 2859/4.4=4, 2867/4.4=4...(6) HA THR 18 - H GLU 90 lone 10 99 - 9 - 7047/3.5=3, 2867/4.4=2...(4) HA SER 100 - H GLU 90 lone 8 89 - 9 - 2867/4.4=3, 2859/4.4=2 HA3 GLY 78 - H GLU 90 lone 2 68 - 2 - Peak 7032 from nnoeabs.peaks (1.93, 7.75, 117.84 ppm; 3.27 A): 5 out of 11 assignments used, quality = 0.85: * HB2 ARG 89 + H GLU 90 OK 71 100 - 71 - 4.4=40, 1.8/2874=26...(9) HB2 ARG 140 + H GLU 90 OK 23 96 - 24 - 2850/3.5=6, 2868/4.4=5...(8) HB3 LEU 132 + H GLU 90 OK 14 89 - 16 - 2.9/7038=2, 4487/2.9=2...(7) HB3 PRO 52 + H GLU 90 OK 12 99 - 12 - 2850/3.5=2, 3.9/7044=2...(4) HG2 PRO 52 + H GLU 90 OK 11 98 - 11 - 2850/3.5=2, 1.8/7040=2 HB2 GLN 62 - H GLU 90 lone 9 94 - 9 - 3.0/11690=1, 2916/2.9=1 HB2 PRO 118 - H GLU 90 poor 8 77 - 11 - 2.3/7031=2, 2850/3.5=2 HB3 GLU 122 - H GLU 90 lone 6 92 - 7 - 4078/3.9=1 HG2 PRO 12 - H GLU 90 lone 3 94 - 3 - HB2 MET 59 - H GLU 90 lone 3 68 - 4 - 11699/3.5=1 HG3 PRO 12 - H GLU 90 lone 2 85 - 3 - Peak 7033 from nnoeabs.peaks (1.90, 7.75, 117.84 ppm; 3.32 A): 6 out of 11 assignments used, quality = 0.94: * HB3 ARG 89 + H GLU 90 OK 74 100 - 74 - 4.4=42, 1.8/2866=29...(9) HB3 LYS 93 + H GLU 90 OK 47 89 - 53 - ~2915=13, ~2915=12...(13) HB3 ARG 140 + H GLU 90 OK 23 92 - 26 - 2851/3.5=6, 2861/4.4=5...(7) HB3 LEU 69 + H GLU 90 OK 16 98 - 17 - ~9883=6, 3.2/10075=4...(4) HB ILE 136 + H GLU 90 OK 16 77 - 21 - ~8958=3, 3.0/8956=3...(11) HB3 GLN 111 + H GLU 90 OK 15 100 - 15 - 2.9/11690=5, 1.8/7040=2 HB2 LYS 24 - H GLU 90 lone 9 100 - 9 - 2916/2.9=1, 10883/8953=1 HB ILE 101 - H GLU 90 lone 9 100 - 9 - 2916/2.9=2, ~8958=2...(4) HG13 ILE 83 - H GLU 90 lone 6 68 - 9 - 9991/9976=2, ~10029=2 QE MET 68 - H GLU 90 lone 4 94 - 5 - HB3 ARG 141 - H GLU 90 lone 2 77 - 3 - Peak 7034 from nnoeabs.peaks (1.67, 7.75, 117.84 ppm; 3.93 A): 4 out of 13 assignments used, quality = 0.93: * HG2 ARG 89 + H GLU 90 OK 74 100 - 75 - 2.8/2866=32, 2.8/2874=30...(8) HD2 LYS 93 + H GLU 90 OK 42 77 - 55 - ~2915=11, ~2915=9...(16) HD3 LYS 93 + H GLU 90 OK 34 62 - 55 - ~2915=11, ~2915=9...(16) HB2 LEU 95 + H GLU 90 OK 33 100 - 33 - 3127/3.5=6, ~8957=5...(12) HG2 ARG 140 - H GLU 90 OK 27 81 - 34 - 4733/3.5=7, 1.8/7035=6...(9) HG13 ILE 136 - H GLU 90 OK 21 77 - 27 - ~8958=4, 3.7/8956=4...(11) HB2 LYS 114 - H GLU 90 poor 9 62 - 15 - 1.8/8953=6, ~7057=3, ~7058=2 HD2 LYS 48 - H GLU 90 lone 8 100 - 8 - 3.0/8953=1 HG2 ARG 124 - H GLU 90 lone 7 100 - 7 - 2870/4.4=1, 2862/4.4=1 HD3 LYS 48 - H GLU 90 lone 7 94 - 7 - 3.0/8953=1 HB2 MET 68 - H GLU 90 lone 6 99 - 6 - 1965/4.4=1 HB VAL 71 - H GLU 90 lone 5 100 - 5 - HB2 ARG 145 - H GLU 90 lone 3 100 - 3 - Peak 7035 from nnoeabs.peaks (1.72, 7.75, 117.84 ppm; 4.06 A): 3 out of 8 assignments used, quality = 0.82: * HG3 ARG 89 + H GLU 90 OK 74 100 - 74 - 2.8/2866=34, 2.8/2874=32...(7) HG3 ARG 140 + H GLU 90 OK 21 62 - 34 - 2853/3.5=7, 2863/4.4=7...(9) HB3 ARG 109 + H GLU 90 OK 12 100 - 12 - 11118/4.4=5, 2853/3.5=3 HB3 GLU 81 - H GLU 90 lone 9 100 - 9 - 2853/3.5=2, 2871/4.4=1 HG LEU 66 - H GLU 90 lone 7 100 - 7 - 2853/3.5=2, 2871/4.4=1 HB2 GLU 81 - H GLU 90 lone 4 68 - 6 - 2853/3.5=1, 10061/8954=1 HB3 ARG 144 - H GLU 90 lone 4 98 - 4 - HD2 LYS 36 - H GLU 90 lone 4 94 - 4 - Peak 7038 from nnoeabs.peaks (4.08, 7.75, 117.84 ppm; 3.16 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 90 + H GLU 90 OK 100 100 - 100 - 2.9=100 HA LYS 34 - H GLU 90 OK 31 100 - 31 - 3.0/7039=6, 2918/3.9=5...(12) HA VAL 53 - H GLU 90 OK 20 100 - 20 - 7049/3.5=4, 3.0/7044=2...(6) HA LEU 132 - H GLU 90 OK 14 100 - 14 - 2.9/7032=2, 2925/3.9=1...(5) HA LEU 26 - H GLU 90 lone 9 96 - 10 - 7049/3.5=1, 2918/3.9=1 HD3 PRO 118 - H GLU 90 lone 6 77 - 7 - 3.6/7031=1, 3.0/7032=1 Peak 7039 from nnoeabs.peaks (2.03, 7.75, 117.84 ppm; 2.97 A): 3 out of 4 assignments used, quality = 0.93: * HB2 GLU 90 + H GLU 90 OK 87 100 - 87 - 3.9=42, 1.8/2924=25...(24) HB3 LYS 34 + H GLU 90 OK 32 98 - 33 - 2909/2.9=7, 2926/3.9=5...(12) HB2 GLU 37 + H GLU 90 OK 13 68 - 20 - 3.0/10084=3, ~10515=2...(9) HB2 PRO 33 - H GLU 90 lone 2 72 - 3 - Peak 7040 from nnoeabs.peaks (2.00, 7.75, 117.84 ppm; 2.97 A): 3 out of 9 assignments used, quality = 0.92: * HB3 GLU 90 + H GLU 90 OK 88 100 - 88 - 3.9=43, 1.8/2917=24...(22) HB3 GLU 37 + H GLU 90 OK 23 98 - 23 - 10515/2.9=4, 3.0/10084=3...(12) QE MET 113 + H GLU 90 OK 20 72 - 27 - 3.3/7042=5, 10252=5...(11) HB2 GLU 37 - H GLU 90 OK 19 92 - 21 - 10515/2.9=4, 3.0/10084=3...(9) HB2 GLN 111 - H GLU 90 OK 11 92 - 12 - 2.9/11690=4, 1.8/7033=2 HG3 PRO 52 - H GLU 90 OK 10 99 - 10 - 1.8/7032=2, 2.3/7032=2...(4) QE MET 11 - H GLU 90 lone 6 100 - 6 - 7051/3.5=2, 10599/8953=1 HG3 GLU 122 - H GLU 90 lone 6 100 - 5 - HB VAL 63 - H GLU 90 lone 4 62 - 7 - 2.1/10074=2, ~7056=1 Peak 7041 from nnoeabs.peaks (2.27, 7.75, 117.84 ppm; 2.98 A): 2 out of 7 assignments used, quality = 0.91: * HG2 GLU 90 + H GLU 90 OK 87 100 - 87 - 2931=37, 1.8/2938=29...(20) HB3 MET 113 + H GLU 90 OK 34 100 - 35 - 2911/2.9=7, 4.2/10252=7...(10) HG3 PRO 129 - H GLU 90 lone 6 85 - 7 - 2942/4.6=1, 2921/3.9=1...(4) HG2 GLN 62 - H GLU 90 lone 4 62 - 7 - 2.9/7032=1 HG3 GLU 81 - H GLU 90 lone 3 68 - 4 - 3.0/7035=1 HG2 GLU 131 - H GLU 90 lone 3 100 - 3 - HG3 GLU 142 - H GLU 90 lone 2 100 - 2 - Peak 7042 from nnoeabs.peaks (2.26, 7.75, 117.84 ppm; 2.96 A): 3 out of 4 assignments used, quality = 0.93: * HG3 GLU 90 + H GLU 90 OK 87 100 - 87 - 2938=37, 1.8/2931=29...(21) HG2 MET 113 + H GLU 90 OK 35 96 - 36 - 3.3/10252=8, 2912/2.9=7...(12) HB3 MET 113 + H GLU 90 OK 17 68 - 26 - 4.2/10252=7, 2911/2.9=4...(10) HG3 PRO 129 - H GLU 90 lone 7 96 - 8 - 2936/4.6=1, 2912/2.9=1...(5) Peak 7043 from nnoeabs.peaks (7.53, 7.75, 117.84 ppm; 2.94 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 91 + H GLU 90 OK 87 100 - 87 - 3.5=60, 3.5/7065=13...(19) H TRP 88 + H GLU 90 OK 41 94 - 43 - 7024=9, 3.6/11690=7...(17) H LEU 95 + H GLU 90 OK 15 92 - 16 - 2913/2.9=3, 7067/7065=2...(8) Peak 7044 from nnoeabs.peaks (8.67, 7.75, 117.84 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.93: * H THR 92 + H GLU 90 OK 91 100 - 91 - 7065=46, 3.5/7048=35...(17) H VAL 53 + H GLU 90 OK 16 72 - 23 - 7060/3.5=5, 3.0/7038=4...(8) H ASN 130 - H GLU 90 lone 8 92 - 8 - 7060/3.5=2, 2857/3.5=1...(4) H ILE 56 - H GLU 90 lone 2 68 - 3 - Peak 7045 from nnoeabs.peaks (7.53, 7.53, 120.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 91 + H ILE 91 OK 100 100 - 100 Peak 7046 from nnoeabs.peaks (4.17, 7.53, 120.51 ppm; 3.70 A): 5 out of 7 assignments used, quality = 0.92: * HA TRP 88 + H ILE 91 OK 76 100 - 76 - 2827=16, 8976/4.0=12...(18) HA LEU 64 + H ILE 91 OK 41 100 - 41 - 7063/3.5=6, 2953/4.0=6...(13) HG1 THR 74 + H ILE 91 OK 24 100 - 24 - 8976/4.0=3, 2.8/7054=3...(10) HA PHE 38 + H ILE 91 OK 17 100 - 17 - 2827=3, 8989/4.4=3...(7) HA GLU 120 + H ILE 91 OK 12 94 - 13 - 4013/4.4=3, 2827=2...(6) HB3 SER 44 - H ILE 91 poor 10 85 - 12 - 9813/4.0=3, 8991/4.5=2...(4) HB2 SER 44 - H ILE 91 poor 10 85 - 11 - 9813/4.0=3, 8991/4.5=2...(4) Peak 7047 from nnoeabs.peaks (4.29, 7.53, 120.51 ppm; 4.77 A): 3 out of 5 assignments used, quality = 0.89: * HA ARG 89 + H ILE 91 OK 85 100 - 85 - 3.5/7048=42, 7064/3.5=31...(13) HA THR 18 + H ILE 91 OK 19 99 - 19 - ~10856=7, 7064/3.5=3...(5) HA SER 100 + H ILE 91 OK 12 89 - 13 - ~10473=3, 7064/3.5=2...(6) HA PRO 118 - H ILE 91 poor 9 72 - 13 - 7031/3.5=3, 2.3/11699=2...(5) HA3 GLY 78 - H ILE 91 lone 3 68 - 5 - Peak 7048 from nnoeabs.peaks (7.75, 7.53, 120.51 ppm; 3.10 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 90 + H ILE 91 OK 92 100 - 92 - 3.5=71, 7065/3.5=14...(20) Peak 7049 from nnoeabs.peaks (4.08, 7.53, 120.51 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 90 + H ILE 91 OK 100 100 - 100 - 3.6=100 HA VAL 53 - H ILE 91 OK 45 100 - 45 - 3.2/7058=6, 1385/4.4=6...(18) HA LYS 34 - H ILE 91 OK 30 100 - 31 - 3.0/7050=6, 2918/4.7=5...(8) HA LEU 26 - H ILE 91 OK 18 96 - 19 - 10544/4.0=3, 7066/3.5=3...(8) HA LEU 132 - H ILE 91 OK 14 100 - 14 - 7038/3.5=2, 7066/3.5=2...(5) HD3 PRO 118 - H ILE 91 lone 6 77 - 8 - 3.6/7047=1, 3.0/11699=1 Peak 7050 from nnoeabs.peaks (2.03, 7.53, 120.51 ppm; 3.57 A): 3 out of 4 assignments used, quality = 0.93: * HB2 GLU 90 + H ILE 91 OK 88 100 - 88 - 4.7=45, 3.9/7048=24...(16) HB3 LYS 34 + H ILE 91 OK 29 98 - 30 - 2909/3.6=8, 7039/3.5=7...(7) HB2 GLU 37 + H ILE 91 OK 20 68 - 30 - 4.0/9000=9, 3.0/7055=4...(13) HB2 PRO 33 - H ILE 91 lone 3 72 - 3 - Peak 7051 from nnoeabs.peaks (2.00, 7.53, 120.51 ppm; 3.60 A): 3 out of 9 assignments used, quality = 0.95: * HB3 GLU 90 + H ILE 91 OK 89 100 - 89 - 4.7=46, 2924/3.5=24...(16) HB3 GLU 37 + H ILE 91 OK 33 98 - 34 - 4.0/9000=9, 10515/3.6=5...(14) HB2 GLU 37 + H ILE 91 OK 30 92 - 32 - 4.0/9000=9, 3.0/7055=5...(13) QE MET 11 - H ILE 91 OK 28 100 - 28 - 10600/4.4=11...(4) QE MET 113 - H ILE 91 OK 21 72 - 29 - 10252/3.5=8, 3.3/7053=6...(9) HB VAL 63 - H ILE 91 OK 14 62 - 23 - 2.1/7056=5, ~2948=3...(8) HG3 PRO 52 - H ILE 91 lone 10 99 - 10 - 7040/3.5=2, 2910/3.6=1 HB2 GLN 111 - H ILE 91 lone 9 92 - 10 - ~11690=2, 7040/3.5=2, 2910/3.6=1 HG3 GLU 122 - H ILE 91 lone 8 100 - 7 - 2910/3.6=1, 2920/4.7=1 Peak 7052 from nnoeabs.peaks (2.27, 7.53, 120.51 ppm; 3.99 A): 2 out of 7 assignments used, quality = 0.95: * HG2 GLU 90 + H ILE 91 OK 91 100 - 91 - 2931/3.5=32, 2937=30...(13) HB3 MET 113 + H ILE 91 OK 39 100 - 39 - 2911/3.6=10, 2928/4.7=9...(8) HG3 PRO 129 - H ILE 91 OK 10 85 - 12 - 2921/4.7=2, 2928/4.7=2...(5) HG2 GLU 131 - H ILE 91 lone 5 100 - 5 - HG3 GLU 81 - H ILE 91 lone 5 68 - 7 - 8899/2808=1, 8893/2816=1 HG2 GLN 62 - H ILE 91 lone 4 62 - 7 - 7041/3.5=1, 2912/3.6=1 HG3 GLU 142 - H ILE 91 lone 4 100 - 3 - Peak 7053 from nnoeabs.peaks (2.26, 7.53, 120.51 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.95: * HG3 GLU 90 + H ILE 91 OK 92 100 - 92 - 2938/3.5=31, 2944=29...(16) HG2 MET 113 + H ILE 91 OK 40 96 - 42 - 2912/3.6=9, ~10252=8...(9) HB3 MET 113 - H ILE 91 OK 18 68 - 26 - 2911/3.6=6, 2928/4.7=5...(8) HG3 PRO 129 - H ILE 91 OK 12 96 - 12 - 7042/3.5=2, 2922/4.7=2...(5) Peak 7054 from nnoeabs.peaks (3.70, 7.53, 120.51 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 91 + H ILE 91 OK 100 100 - 100 - 2.9=100 HA ILE 136 - H ILE 91 OK 36 96 - 38 - 7068/3.5=4, 2963/4.0=4...(18) HB THR 74 - H ILE 91 OK 18 68 - 27 - 2.8/7046=3, 2987/4.5=3...(13) HA THR 107 - H ILE 91 OK 16 85 - 18 - 2963/4.0=3, 2955/4.0=2...(9) Peak 7055 from nnoeabs.peaks (2.39, 7.53, 120.51 ppm; 3.27 A): 2 out of 8 assignments used, quality = 0.95: * HB ILE 91 + H ILE 91 OK 92 100 - 92 - 4.0=55, 3.2/7059=18...(25) HG3 GLU 37 + H ILE 91 OK 35 99 - 35 - 4.4/9000=6, 2954=5...(13) HG3 MET 59 - H ILE 91 OK 24 100 - 24 - 2947/2.9=3, 2964/4.0=3...(12) HG2 MET 59 - H ILE 91 OK 24 99 - 24 - 2947/2.9=3, 2964/4.0=3...(12) HG2 GLN 25 - H ILE 91 OK 23 100 - 23 - 10586/4.0=5, 223/4.0=4...(9) HG2 MET 46 - H ILE 91 OK 21 100 - 21 - 10707/4.4=5, 2964/4.0=3...(7) HG3 MET 11 - H ILE 91 poor 8 77 - 11 - 3.3/7051=2, 7069/3.5=2 HG3 GLN 25 - H ILE 91 poor 8 68 - 12 - 10937/4.0=2, ~2947=2...(7) Peak 7056 from nnoeabs.peaks (0.93, 7.53, 120.51 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.97: * QG2 ILE 91 + H ILE 91 OK 97 100 - 97 - 4.0=69, 3.3/7059=21...(32) HB2 LEU 64 - H ILE 91 OK 42 92 - 45 - 2948/2.9=6, ~8376=6...(18) HB2 LEU 108 - H ILE 91 OK 37 100 - 37 - 2948/2.9=6, ~10553=5...(15) QG2 VAL 63 - H ILE 91 OK 34 100 - 34 - 2948/2.9=5, 2957/4.0=4...(12) QD2 LEU 29 - H ILE 91 poor 10 77 - 13 - 10074/3.5=1, 2948/2.9=1 Peak 7057 from nnoeabs.peaks (1.42, 7.53, 120.51 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.95: * HG12 ILE 91 + H ILE 91 OK 92 100 - 92 - 4.4=44, 2.1/7059=25...(26) HG3 LYS 93 + H ILE 91 OK 35 81 - 43 - 5.1/7061=8, 4.0/10105=7...(15) HB3 LYS 114 - H ILE 91 OK 26 68 - 39 - 2.9/7058=5, 2982/4.4=4...(15) HG2 LYS 24 - H ILE 91 OK 10 68 - 15 - 2966/4.0=2, 2949/2.9=2...(6) HG2 LYS 36 - H ILE 91 lone 5 68 - 8 - Peak 7058 from nnoeabs.peaks (1.05, 7.53, 120.51 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.95: * HG13 ILE 91 + H ILE 91 OK 93 100 - 93 - 4.4=46, 2.1/7059=26...(24) HG3 LYS 114 + H ILE 91 OK 37 98 - 38 - 2967/4.0=6, 2950/2.9=5...(12) QG2 VAL 53 - H ILE 91 OK 37 96 - 38 - 2950/2.9=5, 8245/4.0=5...(15) HB2 LEU 116 - H ILE 91 OK 15 77 - 19 - 2967/4.0=4, 2959/4.0=4...(6) Peak 7059 from nnoeabs.peaks (0.32, 7.53, 120.51 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.94: * QD1 ILE 91 + H ILE 91 OK 94 100 - 94 - 4.5=45, 2951/2.9=24...(32) QD2 LEU 42 - H ILE 91 OK 21 62 - 34 - 2951/2.9=6, 2968/4.0=5...(10) Peak 7060 from nnoeabs.peaks (8.67, 7.53, 120.51 ppm; 3.18 A): 1 out of 4 assignments used, quality = 0.94: * H THR 92 + H ILE 91 OK 94 100 - 94 - 3.5=76, 7065/3.5=15...(19) H VAL 53 - H ILE 91 OK 18 72 - 24 - 3.0/7049=4, 2952/2.9=3...(9) H ASN 130 - H ILE 91 lone 6 92 - 6 - 2952/2.9=1, 7044/3.5=1 H ILE 56 - H ILE 91 lone 2 68 - 3 - Peak 7061 from nnoeabs.peaks (7.62, 7.53, 120.51 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.93: * H LYS 93 + H ILE 91 OK 89 100 - 89 - 7081=27, 3.2/7060=26...(22) H VAL 82 + H ILE 91 OK 37 85 - 43 - 4.0/11024=19...(7) H GLU 122 - H ILE 91 poor 7 62 - 11 - 10081/4.0=2, 2914/3.6=1 Peak 7062 from nnoeabs.peaks (8.67, 8.67, 113.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 92 + H THR 92 OK 100 100 - 100 Peak 7063 from nnoeabs.peaks (4.17, 8.67, 113.41 ppm; 3.86 A): 4 out of 7 assignments used, quality = 0.80: * HA TRP 88 + H THR 92 OK 56 100 - 56 - 8976/4.3=12, 7046/3.5=11...(15) HA LEU 64 + H THR 92 OK 39 100 - 39 - 1812/3.9=8, 3.0/7070=6...(11) HG1 THR 74 + H THR 92 OK 19 100 - 19 - 7046/3.5=3, 8976/4.3=3...(7) HA PHE 38 + H THR 92 OK 11 100 - 11 - 7046/3.5=2, 8976/4.3=2 HB3 SER 44 - H THR 92 lone 8 85 - 10 - 9813/4.7=3, 3.9/10094=2...(4) HB2 SER 44 - H THR 92 lone 8 85 - 9 - 9813/4.7=2, 3.9/10094=2...(4) HA GLU 120 - H THR 92 lone 7 94 - 7 - 7046/3.5=2 Peak 7064 from nnoeabs.peaks (4.29, 8.67, 113.41 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.81: * HA ARG 89 + H THR 92 OK 81 100 - 81 - 2857=28, 2858/4.0=22...(12) HA THR 18 - H THR 92 lone 9 99 - 9 - 7047/3.5=3, 7079/3.2=2...(4) HA SER 100 - H THR 92 lone 6 89 - 7 - 7047/3.5=2, 7079/3.2=2 HA PRO 118 - H THR 92 lone 5 72 - 6 - 7047/3.5=1 HA3 GLY 78 - H THR 92 lone 2 68 - 3 - Peak 7065 from nnoeabs.peaks (7.75, 8.67, 113.41 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.91: * H GLU 90 + H THR 92 OK 91 100 - 91 - 7044=39, 7048/3.5=37...(17) Peak 7066 from nnoeabs.peaks (4.08, 8.67, 113.41 ppm; 4.74 A): 2 out of 6 assignments used, quality = 0.97: * HA GLU 90 + H THR 92 OK 94 100 - 94 - 2.9/7065=38, 3.6/7060=32...(18) HA VAL 53 + H THR 92 OK 51 100 - 52 - 3.2/7072=8, 7049/3.5=8...(16) HA LEU 26 - H THR 92 OK 34 96 - 36 - 7080/3.2=7, 2.9/10094=7...(10) HA LYS 34 - H THR 92 OK 22 100 - 22 - 7049/3.5=5, ~7050=4...(7) HA LEU 132 - H THR 92 OK 19 100 - 19 - 7080/3.2=4, 7049/3.5=2...(6) HD3 PRO 118 - H THR 92 lone 7 77 - 9 - 3.6/7064=2, 7049/3.5=1 Peak 7067 from nnoeabs.peaks (7.53, 8.67, 113.41 ppm; 3.12 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 91 + H THR 92 OK 93 100 - 93 - 3.5=72, 3.5/7065=14...(19) H LEU 95 + H THR 92 OK 39 92 - 43 - 7081/3.2=7, 9057/4.3=7...(13) H TRP 88 - H THR 92 OK 37 94 - 39 - 3.0/7063=7, 2945/3.6=5...(16) Peak 7068 from nnoeabs.peaks (3.70, 8.67, 113.41 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.99: * HA ILE 91 + H THR 92 OK 99 100 - 99 - 3.6=96, 2.9/7060=24...(20) HA ILE 136 - H THR 92 OK 30 96 - 31 - 7082/3.2=6, 7054/3.5=5...(10) HB THR 74 - H THR 92 OK 13 68 - 19 - 2.8/7063=3, 7054/3.5=3...(9) HA THR 107 - H THR 92 OK 10 85 - 12 - 2963/4.3=2, 7054/3.5=2...(4) Peak 7069 from nnoeabs.peaks (2.39, 8.67, 113.41 ppm; 3.36 A): 2 out of 8 assignments used, quality = 0.91: * HB ILE 91 + H THR 92 OK 87 100 - 87 - 4.7=38, 2.1/2969=21...(22) HG3 GLU 37 + H THR 92 OK 28 99 - 29 - 9024/3.9=6, 2961=6...(9) HG2 GLN 25 - H THR 92 OK 19 100 - 19 - 10586/4.3=4, 223/4.7=3...(5) HG3 MET 59 - H THR 92 OK 17 100 - 17 - 2947/3.6=3, 2964/4.3=3...(7) HG2 MET 59 - H THR 92 OK 17 99 - 17 - 2947/3.6=3, 2964/4.3=2...(7) HG2 MET 46 - H THR 92 OK 16 100 - 16 - 10709/4.3=3, 2947/3.6=3...(6) HG3 MET 11 - H THR 92 OK 16 77 - 21 - 9024/3.9=6, ~8009=2...(8) HG3 GLN 25 - H THR 92 lone 6 68 - 9 - 10937/4.3=2, 2947/3.6=1, ~7055=1 Peak 7070 from nnoeabs.peaks (0.93, 8.67, 113.41 ppm; 3.54 A): 2 out of 5 assignments used, quality = 0.95: * QG2 ILE 91 + H THR 92 OK 92 100 - 92 - 4.3=54, 4.0/7060=18...(24) HB2 LEU 64 + H THR 92 OK 38 92 - 41 - 1820/3.9=7, 3.0/7063=6...(16) HB2 LEU 108 - H THR 92 OK 36 100 - 36 - 3.2/10553=16, 2948/3.6=5...(9) QG2 VAL 63 - H THR 92 OK 27 100 - 27 - 8353/3.9=5, 2948/3.6=4...(8) QD2 LEU 29 - H THR 92 poor 9 77 - 12 - 8074/3.9=2, 7056/3.5=1 Peak 7071 from nnoeabs.peaks (1.42, 8.67, 113.41 ppm; 4.21 A): 2 out of 5 assignments used, quality = 0.98: * HG12 ILE 91 + H THR 92 OK 93 100 - 93 - 2.1/7073=28, 3.2/2969=25...(21) HG3 LYS 93 + H THR 92 OK 71 81 - 87 - 2.9/10092=19...(26) HB3 LYS 114 - H THR 92 OK 27 68 - 40 - 2.9/7072=7, 2966/4.3=6...(13) HG2 LYS 24 - H THR 92 OK 20 68 - 29 - 3056/3.2=5, 10100/3.9=5...(12) HG2 LYS 36 - H THR 92 poor 10 68 - 14 - 10100/3.9=3, 7091/3.2=2...(5) Peak 7072 from nnoeabs.peaks (1.05, 8.67, 113.41 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.95: * HG13 ILE 91 + H THR 92 OK 88 100 - 88 - 2.1/7073=25, 3.2/2969=22...(20) QG2 VAL 53 + H THR 92 OK 39 96 - 40 - 7058/3.5=6, 1396=6...(12) HG3 LYS 114 + H THR 92 OK 35 98 - 36 - 2967/4.3=7, 7058/3.5=6...(12) HB2 LEU 116 - H THR 92 OK 14 77 - 18 - 2967/4.3=4, 2959/4.7=4...(6) Peak 7073 from nnoeabs.peaks (0.32, 8.67, 113.41 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.94: * QD1 ILE 91 + H THR 92 OK 94 100 - 94 - 2951/3.6=28, 7059/3.5=27...(26) QD2 LEU 42 - H THR 92 OK 25 62 - 40 - 9029/3.9=7, 2951/3.6=7...(12) Peak 7074 from nnoeabs.peaks (3.65, 8.67, 113.41 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 92 + H THR 92 OK 100 100 - 100 - 2.9=100 HA2 GLY 94 - H THR 92 OK 29 62 - 47 - 3.0/10094=8, ~7098=7...(14) HA ILE 83 - H THR 92 OK 21 68 - 30 - 3006/3.9=4, 3001/4.0=4...(14) HD3 PRO 12 - H THR 92 OK 16 96 - 17 - 3006/3.9=3, ~58=2...(8) Peak 7075 from nnoeabs.peaks (4.24, 8.67, 113.41 ppm; 3.23 A): 3 out of 4 assignments used, quality = 0.92: * HB THR 92 + H THR 92 OK 89 100 - 89 - 4.0=54, 2.1/3005=27...(16) HB THR 102 + H THR 92 OK 17 81 - 21 - 7085/3.2=4, 2.1/10104=4...(7) HA ARG 141 + H THR 92 OK 12 96 - 13 - 7085/3.2=3, 2996/2.9=3 HA GLU 142 - H THR 92 lone 8 98 - 8 - 2996/2.9=3, 3007/3.9=2 Peak 7076 from nnoeabs.peaks (1.15, 8.67, 113.41 ppm; 3.02 A): 4 out of 5 assignments used, quality = 0.95: * QG2 THR 92 + H THR 92 OK 87 100 - 87 - 3.9=45, 2.1/7075=20...(19) HB2 LEU 72 + H THR 92 OK 30 77 - 40 - 3.2/9012=5, 2997/2.9=4...(17) HG2 LYS 76 + H THR 92 OK 23 85 - 27 - 8971/4.3=5, 7086/3.2=4...(9) QD1 LEU 69 + H THR 92 OK 22 77 - 29 - 9883/3.5=8, 9894/4.3=4...(11) QG2 THR 18 - H THR 92 lone 5 62 - 9 - 10856/3.6=2, 3.2/7064=2 Peak 7077 from nnoeabs.peaks (7.62, 8.67, 113.41 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 93 + H THR 92 OK 100 100 - 100 - 3.2=100 H VAL 82 - H THR 92 OK 25 85 - 29 - 7061/3.5=5, 2998/2.9=4...(8) H GLU 122 - H THR 92 lone 4 62 - 6 - 10081/4.3=1 Peak 7078 from nnoeabs.peaks (7.62, 7.62, 120.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 93 + H LYS 93 OK 100 100 - 100 Peak 7079 from nnoeabs.peaks (4.29, 7.62, 120.75 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.71: * HA ARG 89 + H LYS 93 OK 71 100 - 71 - 7064/3.2=22, 10068=21...(15) HA THR 18 - H LYS 93 lone 7 99 - 7 - 7064/3.2=2, 2999/4.7=1 HA SER 100 - H LYS 93 lone 5 89 - 6 - 7064/3.2=2, 9161/10154=1 HA PRO 118 - H LYS 93 lone 3 72 - 4 - 7064/3.2=1 HA3 GLY 78 - H LYS 93 lone 2 68 - 3 - Peak 7080 from nnoeabs.peaks (4.08, 7.62, 120.75 ppm; 3.56 A): 4 out of 6 assignments used, quality = 0.88: * HA GLU 90 + H LYS 93 OK 74 100 - 74 - 2914=27, 2915/4.1=19...(10) HA VAL 53 + H LYS 93 OK 28 100 - 28 - ~9045=6, 1381/3.2=4...(10) HA LEU 26 + H LYS 93 OK 27 96 - 28 - 3033/4.1=5, 3021/4.1=5...(8) HA LEU 132 + H LYS 93 OK 13 100 - 13 - 3033/4.1=2, 3021/4.1=2...(5) HA LYS 34 - H LYS 93 lone 8 100 - 8 - 7066/3.2=2, 3033/4.1=1 HD3 PRO 118 - H LYS 93 lone 3 77 - 4 - Peak 7081 from nnoeabs.peaks (7.53, 7.62, 120.75 ppm; 3.38 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 91 + H LYS 93 OK 82 100 - 82 - 7061=24, 7060/3.2=21...(20) H LEU 95 + H LYS 93 OK 48 92 - 52 - 7112/3.2=17...(12) H TRP 88 + H LYS 93 OK 23 94 - 25 - 7067/3.2=6, 7110/3.2=3...(10) Peak 7082 from nnoeabs.peaks (3.70, 7.62, 120.75 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.93: * HA ILE 91 + H LYS 93 OK 89 100 - 89 - 9001/3.2=22, 2.9/7061=21...(22) HA ILE 136 + H LYS 93 OK 36 96 - 37 - ~10458=7, 7068/3.2=6...(11) HA THR 107 - H LYS 93 lone 6 85 - 7 - 7068/3.2=2, 3451/3.2=1 HB THR 74 - H LYS 93 lone 6 68 - 9 - 7068/3.2=3, ~7063=2, ~9012=1 Peak 7083 from nnoeabs.peaks (8.67, 7.62, 120.75 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * H THR 92 + H LYS 93 OK 100 100 - 100 - 3.2=100 H VAL 53 - H LYS 93 OK 13 72 - 18 - 3.0/7080=4, 10092/4.1=3...(6) H ASN 130 - H LYS 93 lone 7 92 - 8 - 2994/3.6=1, 3005/4.4=1...(4) H ILE 56 - H LYS 93 lone 4 68 - 6 - 3005/4.4=1, ~11040=1...(4) Peak 7084 from nnoeabs.peaks (3.65, 7.62, 120.75 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.99: * HA THR 92 + H LYS 93 OK 99 100 - 99 - 3.6=97, 3.0/7085=21...(20) HA2 GLY 94 - H LYS 93 OK 34 62 - 54 - 3.0/7098=26, 3.5/7081=8...(13) HA ILE 83 - H LYS 93 OK 17 68 - 25 - 3006/4.4=4, 7074/3.2=3...(10) HD3 PRO 12 - H LYS 93 OK 12 96 - 12 - 7074/3.2=3, 3006/4.4=3...(5) Peak 7085 from nnoeabs.peaks (4.24, 7.62, 120.75 ppm; 2.90 A): 3 out of 4 assignments used, quality = 0.79: * HB THR 92 + H LYS 93 OK 71 100 - 71 - 4.7=24, 2.1/3009=17...(15) HB THR 102 + H LYS 93 OK 18 81 - 23 - 2.1/10103=3, 3.0/7087=3...(10) HA ARG 141 + H LYS 93 OK 14 96 - 14 - 2996/3.6=2, 3.0/7089=2...(6) HA GLU 142 - H LYS 93 lone 5 98 - 5 - 2996/3.6=2, 3007/4.4=1 Peak 7086 from nnoeabs.peaks (1.15, 7.62, 120.75 ppm; 3.62 A): 2 out of 5 assignments used, quality = 0.96: * QG2 THR 92 + H LYS 93 OK 94 100 - 94 - 4.4=57, 2.1/7085=27...(22) HG2 LYS 76 + H LYS 93 OK 46 85 - 54 - 10090/2.9=9, 1.8/3045=8...(22) HB2 LEU 72 - H LYS 93 OK 34 77 - 44 - 3.1/9035=6, ~8546=6...(14) QD1 LEU 69 - H LYS 93 OK 23 77 - 30 - 7076/3.2=4, 4.1/9038=4...(11) QG2 THR 18 - H LYS 93 lone 5 62 - 9 - 10863/4.1=2, 3.2/7079=2 Peak 7087 from nnoeabs.peaks (4.22, 7.62, 120.75 ppm; 2.80 A): 1 out of 7 assignments used, quality = 0.96: * HA LYS 93 + H LYS 93 OK 96 100 - 96 - 2.9=86, 3.0/7088=16...(24) HA THR 102 - H LYS 93 OK 23 100 - 23 - 3.0/7085=4, 3370/2.9=3...(6) HA LYS 85 - H LYS 93 OK 20 96 - 21 - 3023/4.1=3, 3035/4.1=3...(11) HA ILE 101 - H LYS 93 OK 14 98 - 14 - 3.0/7089=2, 3035/4.1=1...(5) HB THR 102 - H LYS 93 poor 9 62 - 15 - 2.1/10103=3, 3374/2.9=1...(7) HA PHE 45 - H LYS 93 lone 7 100 - 7 - HA ALA 134 - H LYS 93 lone 4 92 - 5 - Peak 7088 from nnoeabs.peaks (1.84, 7.62, 120.75 ppm; 2.78 A): 3 out of 4 assignments used, quality = 0.90: * HB2 LYS 93 + H LYS 93 OK 86 100 - 87 - 4.1=32, 1.8/3034=23...(37) HB3 LYS 76 + H LYS 93 OK 16 62 - 26 - 3.0/7086=4, 3.0/3045=3...(8) HB3 LEU 126 + H LYS 93 OK 12 100 - 12 - 3012/2.9=3, 3036/4.1=2 HB3 GLU 28 - H LYS 93 lone 5 68 - 7 - 3012/2.9=2, 3036/4.1=1 Peak 7089 from nnoeabs.peaks (1.89, 7.62, 120.75 ppm; 2.76 A): 3 out of 9 assignments used, quality = 0.92: * HB3 LYS 93 + H LYS 93 OK 86 100 - 86 - 4.1=31, 1.8/7088=23...(37) HB3 ARG 89 + H LYS 93 OK 27 89 - 31 - 3.0/7079=12, ~2857=4...(10) HB2 LYS 24 + H LYS 93 OK 19 89 - 21 - 3.0/3056=3, 3013/2.9=3...(9) HB3 ARG 141 - H LYS 93 OK 15 100 - 15 - 3.0/7085=3, 3013/2.9=2...(5) HB ILE 101 - H LYS 93 OK 14 85 - 17 - 3013/2.9=2, 3.0/7087=2...(4) HB3 LYS 48 - H LYS 93 OK 11 57 - 19 - 3.6/3067=3, 3.6/7092=2...(9) HB3 ARG 140 - H LYS 93 OK 10 100 - 10 - 4724/7079=1, 3013/2.9=1 HB3 LEU 69 - H LYS 93 poor 7 68 - 11 - 3.0/9038=2, 3.2/7086=2 HB3 GLN 111 - H LYS 93 lone 3 94 - 3 - Peak 7090 from nnoeabs.peaks (1.53, 7.62, 120.75 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.97: * HG2 LYS 93 + H LYS 93 OK 94 100 - 94 - 5.1=30, 2.9/3034=24...(40) HG3 LYS 76 + H LYS 93 OK 50 100 - 50 - 3045=9, 1.8/7086=7...(18) HG3 LYS 85 - H LYS 93 OK 45 94 - 48 - 2616/2.9=7, ~2605=5...(23) HD2 LYS 76 - H LYS 93 OK 43 99 - 43 - 3.0/7086=6, 3.0/3045=5...(19) QB ALA 135 - H LYS 93 OK 17 99 - 17 - 9654/7082=4...(5) HG3 PRO 57 - H LYS 93 poor 10 89 - 11 - 2.3/7093=1, 3038/4.1=1...(4) HB2 LEU 29 - H LYS 93 lone 6 100 - 6 - 7102/3.2=1 HB2 LYS 123 - H LYS 93 lone 3 81 - 3 - Peak 7091 from nnoeabs.peaks (1.41, 7.62, 120.75 ppm; 3.68 A): 3 out of 7 assignments used, quality = 0.99: * HG3 LYS 93 + H LYS 93 OK 97 100 - 97 - 5.1=37, 2.9/3034=27...(45) HG12 ILE 91 + H LYS 93 OK 58 81 - 71 - 3.8/7082=14, 4.4/7061=12...(17) HG2 LYS 24 + H LYS 93 OK 52 100 - 52 - 3056=10, 10906/5.1=9...(17) HD2 LYS 114 - H LYS 93 OK 24 94 - 25 - 4.8/9038=4, 3039/4.1=3...(11) HG2 LYS 36 - H LYS 93 OK 18 100 - 18 - 3015/2.9=3, 3027/4.1=2...(5) HG LEU 116 - H LYS 93 OK 11 77 - 15 - 3015/2.9=3, 3027/4.1=3...(5) HB2 ARG 35 - H LYS 93 lone 6 85 - 7 - 3015/2.9=1, 3039/4.1=1 Peak 7092 from nnoeabs.peaks (1.68, 7.62, 120.75 ppm; 3.80 A): 2 out of 11 assignments used, quality = 0.99: * HD2 LYS 93 + H LYS 93 OK 97 100 - 97 - 3.4/3034=25, 3.4/3022=24...(51) HD3 LYS 48 + H LYS 93 OK 62 98 - 63 - 3067=13, 3069/4.1=8...(27) HD2 LYS 48 - H LYS 93 OK 43 77 - 56 - 1.8/3067=10, 3016/2.9=5...(24) HG LEU 97 - H LYS 93 OK 35 96 - 37 - ~10136=8, 9016/3.6=7...(11) HB2 LEU 95 - H LYS 93 OK 34 77 - 44 - 4.6/10091=14, 3.9/7081=8...(15) HG2 ARG 89 - H LYS 93 OK 29 77 - 38 - 3.8/7079=19, 2.8/7089=6...(12) HG3 ARG 141 - H LYS 93 OK 29 98 - 30 - 3.8/7085=4, 4807/4.1=3...(12) HG LEU 26 - H LYS 93 OK 15 81 - 19 - 4.3/7080=4, 3.0/7093=1...(4) HB VAL 71 - H LYS 93 lone 4 77 - 6 - HB2 ARG 145 - H LYS 93 lone 3 89 - 3 - HG2 ARG 124 - H LYS 93 lone 2 62 - 4 - Peak 7093 from nnoeabs.peaks (1.65, 7.62, 120.75 ppm; 3.71 A): 2 out of 12 assignments used, quality = 0.98: * HD3 LYS 93 + H LYS 93 OK 96 100 - 96 - 3.4/3034=24, 3.4/3022=23...(50) HG13 ILE 136 + H LYS 93 OK 50 100 - 50 - 3078=9, 2.1/9035=7...(18) HD2 LYS 48 - H LYS 93 OK 32 62 - 52 - 1.8/3067=10, 3017/2.9=4...(23) HB2 LYS 114 - H LYS 93 OK 28 100 - 28 - 3.0/9038=6, 3748/5.1=4...(11) HB2 LEU 95 - H LYS 93 OK 25 62 - 39 - 4.6/10091=13, 3.9/7081=8...(12) HG2 ARG 89 - H LYS 93 OK 21 62 - 34 - 3.8/7079=19, 2.8/7089=5...(10) HG2 ARG 140 - H LYS 93 OK 19 99 - 19 - 4733/7079=3, 3041/4.1=2...(6) HB2 PRO 57 - H LYS 93 OK 15 100 - 15 - 1517/5.1=2, 3029/4.1=2...(6) HB3 LEU 26 - H LYS 93 OK 14 62 - 23 - 3.0/7080=5, 4.6/7096=2...(7) HB2 MET 68 - H LYS 93 lone 5 81 - 6 - HG2 ARG 124 - H LYS 93 lone 3 77 - 4 - HB VAL 71 - H LYS 93 lone 3 62 - 4 - Peak 7096 from nnoeabs.peaks (7.81, 7.62, 120.75 ppm; 3.08 A): 1 out of 5 assignments used, quality = 0.96: * H GLY 94 + H LYS 93 OK 96 100 - 96 - 3.2=87, 3.6/7087=12...(25) H TYR 27 - H LYS 93 OK 17 92 - 18 - 3.6/7080=3, 3032/4.1=3...(6) H SER 44 - H LYS 93 OK 11 99 - 11 - 3020/2.9=2, 3032/4.1=1 H LEU 26 - H LYS 93 poor 9 62 - 14 - 2.9/7080=4, 3020/2.9=2...(5) H THR 110 - H LYS 93 lone 5 81 - 6 - 3020/2.9=1 Peak 7097 from nnoeabs.peaks (7.81, 7.81, 108.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 94 + H GLY 94 OK 100 100 - 100 Peak 7098 from nnoeabs.peaks (7.62, 7.81, 108.31 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.99: * H LYS 93 + H GLY 94 OK 99 100 - 99 - 3.2=99 H VAL 82 - H GLY 94 OK 15 85 - 17 - 3010/3.6=4, 3022/4.7=3...(4) H GLU 122 - H GLY 94 lone 3 62 - 4 - Peak 7099 from nnoeabs.peaks (4.22, 7.81, 108.31 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 93 + H GLY 94 OK 100 100 - 100 - 3.6=100 HA THR 102 - H GLY 94 OK 20 100 - 20 - 3370/3.6=4, 7087/3.2=4...(7) HA LYS 85 - H GLY 94 OK 17 96 - 18 - 3023/4.7=4, 3035/4.7=4...(4) HA ILE 101 - H GLY 94 OK 14 98 - 14 - 7087/3.2=3, 3035/4.7=2...(5) HA PHE 45 - H GLY 94 lone 9 100 - 9 - 2.8/6361=2, 7087/3.2=1 HB THR 102 - H GLY 94 poor 8 62 - 12 - ~10103=3, 3374/3.6=2...(6) HA ALA 134 - H GLY 94 lone 4 92 - 5 - Peak 7100 from nnoeabs.peaks (1.84, 7.81, 108.31 ppm; 3.25 A): 3 out of 4 assignments used, quality = 0.90: * HB2 LYS 93 + H GLY 94 OK 87 100 - 87 - 4.7=34, 7088/3.2=20...(27) HB3 LYS 76 + H GLY 94 OK 13 62 - 22 - 7088/3.2=4, 3012/3.6=3...(9) HB3 LEU 126 + H GLY 94 OK 12 100 - 12 - 3012/3.6=3, 7088/3.2=3 HB3 GLU 28 - H GLY 94 poor 7 68 - 11 - 4.3/10856=2, 3012/3.6=2...(5) Peak 7101 from nnoeabs.peaks (1.89, 7.81, 108.31 ppm; 3.33 A): 2 out of 9 assignments used, quality = 0.92: * HB3 LYS 93 + H GLY 94 OK 90 100 - 90 - 4.7=37, 1.8/7100=26...(29) HB3 ARG 89 + H GLY 94 OK 21 89 - 24 - ~7079=6, ~10068=5...(6) HB2 LYS 24 - H GLY 94 OK 19 89 - 22 - 3.0/7103=3, 3013/3.6=3...(7) HB3 ARG 141 - H GLY 94 OK 19 100 - 19 - 7089/3.2=2, 3013/3.6=2...(9) HB ILE 101 - H GLY 94 OK 11 85 - 13 - 3013/3.6=2, 7089/3.2=2...(5) HB3 ARG 140 - H GLY 94 lone 10 100 - 10 - 3013/3.6=2, 7089/3.2=2...(4) HB3 LYS 48 - H GLY 94 poor 9 57 - 16 - 3.6/7104=2, 3013/3.6=2...(6) HB3 LEU 69 - H GLY 94 poor 8 68 - 12 - ~9038=2, 3.2/9047=1...(5) HB3 GLN 111 - H GLY 94 lone 4 94 - 4 - Peak 7102 from nnoeabs.peaks (1.53, 7.81, 108.31 ppm; 4.61 A): 3 out of 8 assignments used, quality = 0.99: * HG2 LYS 93 + H GLY 94 OK 96 100 - 96 - 2.9/7100=32, 2.9/3044=24...(26) HG3 LYS 76 + H GLY 94 OK 50 100 - 50 - 3055=8, 3045/3.2=8...(12) HD2 LYS 76 + H GLY 94 OK 45 99 - 46 - 3014/3.6=7, 7090/3.2=6...(12) HG3 LYS 85 - H GLY 94 OK 33 94 - 35 - 2616/3.6=10, 7090/3.2=7...(8) HB2 LEU 29 - H GLY 94 OK 19 100 - 19 - 4.0/10856=6, 2.9/7109=1...(6) QB ALA 135 - H GLY 94 OK 19 99 - 19 - 9654/9001=7, 7090/3.2=3...(7) HG3 PRO 57 - H GLY 94 OK 12 89 - 14 - 3038/4.7=2, 3026/4.7=2...(7) HB2 LYS 123 - H GLY 94 lone 3 81 - 4 - Peak 7103 from nnoeabs.peaks (1.41, 7.81, 108.31 ppm; 4.35 A): 2 out of 7 assignments used, quality = 0.98: * HG3 LYS 93 + H GLY 94 OK 96 100 - 96 - 2.9/7100=30, 3015/3.6=22...(31) HG12 ILE 91 + H GLY 94 OK 49 81 - 60 - 3.8/9001=20...(12) HG2 LYS 24 - H GLY 94 OK 45 100 - 45 - 3015/3.6=9, 3027/4.7=7...(12) HD2 LYS 114 - H GLY 94 OK 19 94 - 20 - 3039/4.7=4, 3027/4.7=4...(7) HG2 LYS 36 - H GLY 94 OK 16 100 - 16 - 3015/3.6=3, 3027/4.7=3...(4) HG LEU 116 - H GLY 94 OK 11 77 - 14 - 3015/3.6=4, 3027/4.7=3...(4) HB2 ARG 35 - H GLY 94 lone 7 85 - 8 - 3015/3.6=2, 3039/4.7=1 Peak 7104 from nnoeabs.peaks (1.68, 7.81, 108.31 ppm; 4.16 A): 3 out of 11 assignments used, quality = 0.98: * HD2 LYS 93 + H GLY 94 OK 92 100 - 92 - 3.4/7100=25, 3.4/3044=18...(29) HB2 LEU 95 + H GLY 94 OK 49 77 - 63 - 3.9/7112=25, 4.6/9044=21...(15) HD3 LYS 48 + H GLY 94 OK 46 98 - 47 - 3067/3.2=9, 3069/4.7=8...(17) HG LEU 97 - H GLY 94 OK 40 96 - 41 - 10139=8, ~9124=5...(14) HD2 LYS 48 - H GLY 94 OK 31 77 - 40 - ~3067=6, 3016/3.6=5...(14) HG3 ARG 141 - H GLY 94 OK 22 98 - 23 - 2.8/7101=4, 4807/4.7=3...(9) HG LEU 26 - H GLY 94 OK 15 81 - 18 - 10139=2, 2.1/274=2...(8) HG2 ARG 89 - H GLY 94 OK 14 77 - 18 - 2.8/7101=4, 7092/3.2=3...(6) HB VAL 71 - H GLY 94 lone 5 77 - 7 - 9899/8545=1, 9899/8546=1 HG2 ARG 124 - H GLY 94 lone 3 62 - 5 - HB2 ARG 145 - H GLY 94 lone 2 89 - 3 - Peak 7105 from nnoeabs.peaks (1.65, 7.81, 108.31 ppm; 4.19 A): 2 out of 12 assignments used, quality = 0.97: * HD3 LYS 93 + H GLY 94 OK 91 100 - 92 - 3.4/7100=25, 3.4/3044=18...(25) HG13 ILE 136 + H GLY 94 OK 62 100 - 63 - 2.9/10458=15, 10107=8...(20) HB2 LEU 95 - H GLY 94 OK 39 62 - 62 - 3.9/7112=25, 4.6/9044=21...(15) HD2 LYS 48 - H GLY 94 OK 24 62 - 39 - ~3067=6, 1.8/7104=6...(13) HB2 LYS 114 - H GLY 94 OK 20 100 - 20 - ~9038=3, 7093/3.2=3...(7) HG2 ARG 140 - H GLY 94 OK 16 99 - 16 - 3017/3.6=2, 3041/4.7=2...(6) HB2 PRO 57 - H GLY 94 OK 14 100 - 14 - 3029/4.7=2, 3041/4.7=2...(6) HB3 LEU 26 - H GLY 94 OK 12 62 - 19 - ~7080=3, 3.0/242=2...(11) HG2 ARG 89 - H GLY 94 OK 10 62 - 16 - 2.8/7101=4, ~7089=2...(6) HB2 MET 68 - H GLY 94 poor 10 81 - 12 - 8430/8546=3, ~9051=1, ~9054=1 HG2 ARG 124 - H GLY 94 lone 4 77 - 6 - HB VAL 71 - H GLY 94 lone 4 62 - 6 - 9899/8545=1 Peak 7108 from nnoeabs.peaks (3.64, 7.81, 108.31 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 94 + H GLY 94 OK 100 100 - 100 - 3.0=100 HA THR 92 - H GLY 94 OK 30 62 - 48 - 3.6/7098=15, 3.2/10087=8...(16) HD3 PRO 12 - H GLY 94 OK 16 89 - 18 - 3116/3.0=4, ~58=2...(8) Peak 7109 from nnoeabs.peaks (3.96, 7.81, 108.31 ppm; 3.02 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 94 + H GLY 94 OK 100 100 - 100 - 3.0=100 HA ALA 60 - H GLY 94 OK 19 100 - 19 - 8310/3.0=10, ~8312=3...(6) HA LYS 48 - H GLY 94 lone 8 100 - 9 - 5.3/7104=1, 3.0/7101=1 HB3 SER 103 - H GLY 94 lone 5 96 - 6 - 10152/3.6=3 HA PHE 106 - H GLY 94 lone 4 100 - 4 - HA LEU 29 - H GLY 94 lone 4 62 - 6 - 3.0/10856=2 HD3 PRO 129 - H GLY 94 lone 1 68 - 2 - Peak 7110 from nnoeabs.peaks (7.54, 7.81, 108.31 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.83: * H LEU 95 + H GLY 94 OK 62 100 - 62 - 7112=34, 3.5/7108=15...(12) H ILE 91 + H GLY 94 OK 44 92 - 48 - 2.9/9001=12, 7061/3.2=11...(13) H TRP 88 + H GLY 94 OK 20 100 - 20 - 11698/3.0=8, 7081/3.2=3...(7) Peak 7111 from nnoeabs.peaks (7.54, 7.54, 118.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 95 + H LEU 95 OK 100 100 - 100 Peak 7112 from nnoeabs.peaks (7.81, 7.54, 118.97 ppm; 3.32 A): 1 out of 5 assignments used, quality = 0.66: * H GLY 94 + H LEU 95 OK 66 100 - 66 - 4.7=36, 7108/3.5=17...(13) H TYR 27 - H LEU 95 lone 5 92 - 5 - 3111/3.5=1, 3115/3.5=1 H SER 44 - H LEU 95 lone 5 99 - 5 - 3111/3.5=1, 3115/3.5=1 H THR 110 - H LEU 95 lone 4 81 - 4 - 3115/3.5=2, 3111/3.5=1 H LEU 26 - H LEU 95 lone 2 62 - 4 - Peak 7113 from nnoeabs.peaks (3.64, 7.54, 118.97 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.97: * HA2 GLY 94 + H LEU 95 OK 97 100 - 97 - 3.5=95, 3.0/7112=23...(9) HA THR 92 - H LEU 95 OK 31 62 - 50 - 3.2/9058=8, 3.6/7081=6...(20) HD3 PRO 12 - H LEU 95 OK 22 89 - 25 - 8732/4.9=5, 3.0/7118=5...(9) Peak 7114 from nnoeabs.peaks (3.96, 7.54, 118.97 ppm; 3.83 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 94 + H LEU 95 OK 100 100 - 100 - 3.5=100 HA ALA 60 - H LEU 95 OK 22 100 - 22 - 8310/3.5=16, 7109/4.7=3 HA LYS 48 - H LEU 95 lone 9 100 - 9 - 9087/4.6=2, 7109/4.7=1...(4) HA PHE 106 - H LEU 95 lone 4 100 - 4 - 9087/4.6=1 HB3 SER 103 - H LEU 95 lone 4 96 - 4 - 9087/4.6=1 HD3 PRO 129 - H LEU 95 lone 2 68 - 2 - HA LEU 29 - H LEU 95 lone 2 62 - 2 - Peak 7115 from nnoeabs.peaks (4.27, 7.54, 118.97 ppm; 3.39 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 95 + H LEU 95 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 - H LEU 95 OK 18 92 - 20 - 8708/3.9=6, ~2349=3...(9) HA SER 138 - H LEU 95 OK 16 94 - 17 - 10345/3.9=6, 10468/3.9=2...(5) HA ARG 49 - H LEU 95 OK 12 100 - 12 - 1246/9098=2, 3136/3.9=2 HA2 GLY 50 - H LEU 95 poor 10 89 - 11 - 3136/3.9=1, 3128/3.9=1...(4) HA ARG 140 - H LEU 95 lone 9 98 - 9 - 3.0/9060=1 HB THR 99 - H LEU 95 lone 9 96 - 9 - 10162/9058=2 HA ALA 135 - H LEU 95 lone 8 85 - 9 - 3128/3.9=1, 3136/3.9=1 HA PRO 118 - H LEU 95 lone 4 89 - 5 - Peak 7116 from nnoeabs.peaks (1.67, 7.54, 118.97 ppm; 3.25 A): 2 out of 13 assignments used, quality = 0.93: * HB2 LEU 95 + H LEU 95 OK 90 100 - 90 - 3.9=58, 1.8/7117=25...(20) HD2 LYS 93 + H LEU 95 OK 25 77 - 32 - 3122/3.0=6, 3130/3.9=4...(14) HB2 MET 68 - H LEU 95 OK 22 99 - 23 - ~10942=5, 8430/4.9=4...(8) HD3 LYS 93 - H LEU 95 OK 15 62 - 25 - 3.4/9060=4, ~3122=3...(10) HG2 ARG 89 - H LEU 95 lone 9 100 - 9 - 3.8/10069=3, 2.8/9060=2 HG2 ARG 124 - H LEU 95 lone 9 100 - 9 - 11070/4.9=2, 3121/3.0=2 HD2 LYS 48 - H LEU 95 lone 9 100 - 9 - 1195/3.5=1, 3121/3.0=1 HD3 LYS 48 - H LEU 95 lone 9 94 - 9 - HG13 ILE 136 - H LEU 95 poor 9 77 - 11 - 2.9/9060=1, ~10755=1...(4) HG2 ARG 140 - H LEU 95 lone 7 81 - 9 - 2.9/9060=1, 4733/3.0=1 HB VAL 71 - H LEU 95 lone 5 100 - 5 - HB2 ARG 145 - H LEU 95 lone 5 100 - 5 - HB2 LYS 114 - H LEU 95 lone 2 62 - 2 - Peak 7117 from nnoeabs.peaks (1.70, 7.54, 118.97 ppm; 3.12 A): 2 out of 5 assignments used, quality = 0.88: * HB3 LEU 95 + H LEU 95 OK 86 100 - 86 - 3.9=52, 3.1/7120=16...(19) HD2 LYS 86 + H LEU 95 OK 19 100 - 19 - 3122/3.0=5, 3130/3.9=5...(6) HB2 LYS 85 - H LEU 95 lone 10 100 - 10 - 3122/3.0=2, 3130/3.9=2 HB ILE 58 - H LEU 95 lone 7 100 - 7 - 3122/3.0=2, 3130/3.9=1 HG LEU 26 - H LEU 95 lone 4 68 - 6 - ~9063=1 Peak 7118 from nnoeabs.peaks (1.76, 7.54, 118.97 ppm; 3.16 A): 3 out of 5 assignments used, quality = 0.92: * HG LEU 95 + H LEU 95 OK 82 100 - 82 - 5.2=22, 2.1/7120=22...(17) HB ILE 83 + H LEU 95 OK 41 96 - 42 - 3.0/8833=7, 3123/3.0=7...(13) HB2 PRO 12 + H LEU 95 OK 24 100 - 24 - 82/3.5=4, 3139/3.9=4...(8) HB3 ARG 35 - H LEU 95 lone 3 89 - 4 - HG LEU 39 - H LEU 95 lone 2 68 - 3 - Peak 7119 from nnoeabs.peaks (0.78, 7.54, 118.97 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.87: * QD2 LEU 95 + H LEU 95 OK 81 100 - 81 - 4.9=23, 2.1/7120=20...(20) QD1 LEU 79 + H LEU 95 OK 31 99 - 32 - 3124/3.0=7, 3151=5...(10) QG2 THR 74 - H LEU 95 poor 10 96 - 10 - 3124/3.0=2, 3132/3.9=1...(4) QD2 LEU 126 - H LEU 95 poor 9 72 - 12 - 3124/3.0=2, ~10253=2...(6) Peak 7120 from nnoeabs.peaks (0.82, 7.54, 118.97 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.90: * QD1 LEU 95 + H LEU 95 OK 84 100 - 84 - 4.8=29, 2.1/7119=21...(18) HG LEU 42 + H LEU 95 OK 39 100 - 39 - 3125/3.0=9, 3141/3.9=7...(8) Peak 7121 from nnoeabs.peaks (8.08, 7.54, 118.97 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.79: * H ASN 96 + H LEU 95 OK 79 100 - 79 - 7123=35, 3.0/10113=15...(17) Peak 7122 from nnoeabs.peaks (8.08, 8.08, 116.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 96 + H ASN 96 OK 100 100 - 100 Peak 7123 from nnoeabs.peaks (7.54, 8.08, 116.13 ppm; 2.91 A): 3 out of 3 assignments used, quality = 0.83: * H LEU 95 + H ASN 96 OK 76 100 - 76 - 7121=39, 10113/3.0=12...(16) H ILE 91 + H ASN 96 OK 19 92 - 21 - 3119/3.6=3, 3127/4.6=2...(7) H TRP 88 + H ASN 96 OK 14 100 - 14 - 3119/3.6=2, 9098/4.6=2...(4) Peak 7124 from nnoeabs.peaks (4.27, 8.08, 116.13 ppm; 3.23 A): 1 out of 9 assignments used, quality = 0.92: * HA LEU 95 + H ASN 96 OK 92 100 - 92 - 3.6=74, 3.0/7121=26...(14) HA ARG 49 - H ASN 96 OK 14 100 - 14 - 3.6/7135=4, 1246/4.6=3...(5) HA2 GLY 50 - H ASN 96 OK 14 89 - 15 - 2.9/7135=5, 1301/4.6=3...(6) HA3 GLY 78 - H ASN 96 OK 11 92 - 12 - 8708/4.6=5, 3128/4.6=2 HB THR 99 - H ASN 96 OK 10 96 - 10 - 2.1/9088=2, 9159/10126=1...(4) HA SER 138 - H ASN 96 poor 10 94 - 10 - 10345/4.6=4, 10468/4.6=2 HA ALA 135 - H ASN 96 lone 5 85 - 6 - 3128/4.6=1 HA ARG 140 - H ASN 96 lone 4 98 - 4 - HA PRO 118 - H ASN 96 lone 2 89 - 2 - Peak 7125 from nnoeabs.peaks (1.67, 8.08, 116.13 ppm; 3.38 A): 4 out of 13 assignments used, quality = 0.91: * HB2 LEU 95 + H ASN 96 OK 83 100 - 83 - 4.6=40, 1.8/7126=23...(12) HD2 LYS 93 + H ASN 96 OK 27 77 - 35 - 4.9/10090=13...(10) HD3 LYS 93 + H ASN 96 OK 16 62 - 26 - 4.9/10090=13...(6) HB2 MET 68 + H ASN 96 OK 12 99 - 12 - 3121/3.6=3, 3137/4.6=2...(4) HB2 ARG 145 - H ASN 96 lone 9 100 - 9 - 3.4/7132=2, 3.4/7132=2 HD3 LYS 48 - H ASN 96 lone 9 94 - 9 - 3017/10090=2...(3) HD2 LYS 48 - H ASN 96 lone 8 100 - 8 - 3017/10090=2, 5.3/9087=1 HG2 ARG 124 - H ASN 96 lone 8 100 - 8 - 3121/3.6=1, 3137/4.6=1 HG2 ARG 89 - H ASN 96 lone 5 100 - 5 - HG13 ILE 136 - H ASN 96 lone 5 77 - 6 - HB VAL 71 - H ASN 96 lone 5 100 - 5 - HG2 ARG 140 - H ASN 96 lone 4 81 - 5 - HB2 LYS 114 - H ASN 96 lone 1 62 - 2 - Peak 7126 from nnoeabs.peaks (1.70, 8.08, 116.13 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.88: * HB3 LEU 95 + H ASN 96 OK 84 100 - 84 - 4.6=42, 3.9/7121=22...(13) HD2 LYS 86 + H ASN 96 OK 18 100 - 18 - 3122/3.6=5, 3130/4.6=5...(6) HB2 LYS 85 + H ASN 96 OK 14 100 - 14 - 2.9/11692=3, 3122/3.6=2...(6) HB ILE 58 - H ASN 96 lone 7 100 - 7 - 3122/3.6=2, 3130/4.6=1 HG LEU 26 - H ASN 96 lone 6 68 - 8 - 5.3/9097=2 Peak 7127 from nnoeabs.peaks (1.76, 8.08, 116.13 ppm; 3.82 A): 3 out of 5 assignments used, quality = 0.88: * HG LEU 95 + H ASN 96 OK 76 100 - 76 - 2.1/7129=24, 3.0/7126=21...(11) HB ILE 83 + H ASN 96 OK 38 96 - 40 - 3.0/9086=11, 3123/3.6=8...(11) HB2 PRO 12 + H ASN 96 OK 23 100 - 23 - 3139/4.6=5, 3131/4.6=5...(7) HB3 ARG 35 - H ASN 96 lone 4 89 - 4 - HG LEU 39 - H ASN 96 lone 2 68 - 3 - Peak 7128 from nnoeabs.peaks (0.78, 8.08, 116.13 ppm; 3.53 A): 3 out of 4 assignments used, quality = 0.89: * QD2 LEU 95 + H ASN 96 OK 78 100 - 78 - 2.1/7129=21, 3.1/7126=18...(14) QD1 LEU 79 + H ASN 96 OK 41 99 - 42 - 3124/3.6=7, 9083/3.0=6...(12) QG2 THR 74 + H ASN 96 OK 16 96 - 16 - 9083/3.0=2, 3124/3.6=2...(9) QD2 LEU 126 - H ASN 96 poor 8 72 - 11 - 3124/3.6=2, 3140/4.6=2...(5) Peak 7129 from nnoeabs.peaks (0.82, 8.08, 116.13 ppm; 3.63 A): 2 out of 2 assignments used, quality = 0.87: * QD1 LEU 95 + H ASN 96 OK 77 100 - 77 - 3125/3.6=19, 2.1/7128=19...(15) HG LEU 42 + H ASN 96 OK 42 100 - 42 - 3125/3.6=9, 3141/4.6=8...(11) Peak 7130 from nnoeabs.peaks (4.38, 8.08, 116.13 ppm; 2.55 A): 1 out of 5 assignments used, quality = 0.86: * HA ASN 96 + H ASN 96 OK 86 100 - 86 - 3.0=64, 3.0/3174=16...(15) HB THR 51 - H ASN 96 lone 2 72 - 3 - HB THR 18 - H ASN 96 lone 2 94 - 2 - HA ARG 144 - H ASN 96 lone 2 62 - 2 - HA ASP 30 - H ASN 96 lone 1 77 - 2 - Peak 7131 from nnoeabs.peaks (2.74, 8.08, 116.13 ppm; 3.11 A): 1 out of 9 assignments used, quality = 0.92: * HB2 ASN 96 + H ASN 96 OK 92 100 - 92 - 3174=50, 1.8/3181=34...(14) HB3 TYR 70 - H ASN 96 lone 7 89 - 8 - ~4697=3, 3169/3.0=2 HG3 MET 113 - H ASN 96 lone 5 81 - 6 - 3169/3.0=2, 3183/3.9=1 HB3 PHE 43 - H ASN 96 lone 5 92 - 5 - 4.5/9097=1, 3169/3.0=1 HB3 ASP 137 - H ASN 96 lone 4 92 - 5 - HB2 PHE 38 - H ASN 96 lone 2 89 - 2 - HB2 ASN 54 - H ASN 96 lone 2 77 - 2 - HB3 GLU 120 - H ASN 96 lone 1 77 - 1 - HB3 ASP 40 - H ASN 96 lone 1 57 - 1 - Peak 7132 from nnoeabs.peaks (3.11, 8.08, 116.13 ppm; 3.18 A): 3 out of 8 assignments used, quality = 0.93: * HB3 ASN 96 + H ASN 96 OK 91 100 - 91 - 3.9=52, 1.8/3174=35...(12) HD2 ARG 145 + H ASN 96 OK 11 98 - 11 - 3170/3.0=2, 11646/3.6=2...(5) HD3 ARG 145 + H ASN 96 OK 11 96 - 11 - 3170/3.0=2, 11646/3.6=2...(5) HA ALA 105 - H ASN 96 lone 7 100 - 8 - 9126/10138=2, 3170/3.0=1 HD2 ARG 109 - H ASN 96 lone 7 100 - 7 - 3170/3.0=1 HA LEU 79 - H ASN 96 poor 7 72 - 10 - 4.0/7128=5, 3170/3.0=1 HB3 PHE 106 - H ASN 96 lone 3 77 - 3 - 3.0/9087=1 HB3 HIS 10 - H ASN 96 lone 1 81 - 1 - Peak 7134 from nnoeabs.peaks (7.60, 8.08, 116.13 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.64: * HD22 ASN 96 + H ASN 96 OK 64 100 - 64 - 3.5/3174=23, 3.5/3181=23...(4) Peak 7135 from nnoeabs.peaks (7.65, 8.08, 116.13 ppm; 2.94 A): 2 out of 5 assignments used, quality = 0.82: * H LEU 97 + H ASN 96 OK 79 100 - 79 - 7149=50, 7150/3.0=20...(11) H GLY 50 + H ASN 96 OK 17 100 - 17 - 3173/3.0=4, 3187/3.9=3...(8) HD21 ASN 130 - H ASN 96 lone 3 85 - 3 - 4.4/10126=1 H GLU 122 - H ASN 96 lone 2 62 - 4 - 9460/4.6=2 H LEU 66 - H ASN 96 lone 2 72 - 3 - Peak 7136 from nnoeabs.peaks (6.80, 6.80, 113.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 96 + HD21 ASN 96 OK 100 100 - 100 Peak 7138 from nnoeabs.peaks (4.38, 6.80, 113.11 ppm; 4.90 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 96 + HD21 ASN 96 OK 100 100 - 100 - 4.4=100 HB THR 18 - HD21 ASN 96 lone 6 94 - 6 - 7144/1.7=2, 3175/3.5=1 HB THR 51 - HD21 ASN 96 lone 4 72 - 5 - 7144/1.7=1, 3182/3.5=1 HA ASP 30 - HD21 ASN 96 lone 4 77 - 5 - 7144/1.7=1, 3182/3.5=1 HA ARG 144 - HD21 ASN 96 lone 4 62 - 5 - 3182/3.5=1, 3175/3.5=1 Peak 7139 from nnoeabs.peaks (2.74, 6.80, 113.11 ppm; 3.20 A): 1 out of 9 assignments used, quality = 0.96: * HB2 ASN 96 + HD21 ASN 96 OK 96 100 - 96 - 3.5=75, 3179/1.7=38...(9) HB3 TYR 70 - HD21 ASN 96 lone 6 89 - 6 - 4.4/8526=1, 7145/1.7=1...(4) HG3 MET 113 - HD21 ASN 96 lone 6 81 - 7 - 7145/1.7=2, 3.3/10249=2...(4) HB3 ASP 137 - HD21 ASN 96 lone 4 92 - 4 - HB3 PHE 43 - HD21 ASN 96 lone 3 92 - 3 - HB2 PHE 38 - HD21 ASN 96 lone 1 89 - 1 - HB2 ASN 54 - HD21 ASN 96 lone 1 77 - 1 - HB3 GLU 120 - HD21 ASN 96 lone 1 77 - 1 - HB3 ASP 40 - HD21 ASN 96 lone 0 57 - 1 - Peak 7140 from nnoeabs.peaks (3.11, 6.80, 113.11 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.97: * HB3 ASN 96 + HD21 ASN 96 OK 97 100 - 97 - 3.5=79, 3186/1.7=38...(9) HD2 ARG 145 - HD21 ASN 96 lone 7 98 - 7 - 7146/1.7=2, 3177/3.5=2...(4) HD3 ARG 145 - HD21 ASN 96 lone 7 96 - 7 - 7146/1.7=2, 3177/3.5=1...(4) HA ALA 105 - HD21 ASN 96 lone 5 100 - 5 - 7146/1.7=1 HD2 ARG 109 - HD21 ASN 96 lone 4 100 - 4 - 7146/1.7=1 HA LEU 79 - HD21 ASN 96 lone 3 72 - 5 - HB3 PHE 106 - HD21 ASN 96 lone 1 77 - 2 - HB3 HIS 10 - HD21 ASN 96 lone 1 81 - 1 - Peak 7141 from nnoeabs.peaks (7.60, 6.80, 113.11 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 96 + HD21 ASN 96 OK 100 100 - 100 - 1.7=100 Peak 7142 from nnoeabs.peaks (7.60, 7.60, 113.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 96 + HD22 ASN 96 OK 100 100 - 100 Peak 7144 from nnoeabs.peaks (4.38, 7.60, 113.11 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.98: * HA ASN 96 + HD22 ASN 96 OK 98 100 - 98 - 4.4=84, 3.0/3179=41...(6) HB THR 18 - HD22 ASN 96 lone 5 94 - 5 - 7138/1.7=2, 3175/3.5=1 HB THR 51 - HD22 ASN 96 lone 3 72 - 4 - 3182/3.5=1 HA ASP 30 - HD22 ASN 96 lone 3 77 - 4 - HA ARG 144 - HD22 ASN 96 lone 3 62 - 4 - 3182/3.5=1, 3175/3.5=1 Peak 7145 from nnoeabs.peaks (2.74, 7.60, 113.11 ppm; 2.96 A): 1 out of 9 assignments used, quality = 0.88: * HB2 ASN 96 + HD22 ASN 96 OK 88 100 - 88 - 3.5=60, 1.8/3186=33...(6) HG3 MET 113 - HD22 ASN 96 lone 4 81 - 5 - 7139/1.7=1, 3183/3.5=1...(4) HB3 TYR 70 - HD22 ASN 96 lone 4 89 - 4 - 7139/1.7=1, 3169/4.4=1 HB3 ASP 137 - HD22 ASN 96 lone 2 92 - 3 - 7139/1.7=1 HB3 PHE 43 - HD22 ASN 96 lone 2 92 - 2 - HB2 PHE 38 - HD22 ASN 96 lone 1 89 - 1 - HB2 ASN 54 - HD22 ASN 96 lone 1 77 - 1 - HB3 GLU 120 - HD22 ASN 96 lone 1 77 - 1 - HB3 ASP 40 - HD22 ASN 96 lone 0 57 - 1 - Peak 7146 from nnoeabs.peaks (3.11, 7.60, 113.11 ppm; 3.02 A): 1 out of 8 assignments used, quality = 0.89: * HB3 ASN 96 + HD22 ASN 96 OK 89 100 - 89 - 3.5=63, 1.8/3179=34...(6) HD2 ARG 145 - HD22 ASN 96 lone 6 98 - 6 - 7140/1.7=2, 3177/3.5=1...(4) HD3 ARG 145 - HD22 ASN 96 lone 6 96 - 6 - 7140/1.7=2, 3177/3.5=1, ~7140=1 HA ALA 105 - HD22 ASN 96 lone 3 100 - 4 - 7140/1.7=1 HD2 ARG 109 - HD22 ASN 96 lone 3 100 - 3 - 7140/1.7=1 HA LEU 79 - HD22 ASN 96 lone 2 72 - 3 - HB3 PHE 106 - HD22 ASN 96 lone 1 77 - 2 - HB3 HIS 10 - HD22 ASN 96 lone 1 81 - 1 - Peak 7147 from nnoeabs.peaks (6.80, 7.60, 113.11 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 96 + HD22 ASN 96 OK 100 100 - 100 - 1.7=100 H LYS 76 - HD22 ASN 96 lone 1 72 - 1 - HE21 GLN 133 - HD22 ASN 96 lone 1 99 - 1 - Peak 7148 from nnoeabs.peaks (7.65, 7.65, 117.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 97 + H LEU 97 OK 100 100 - 100 Peak 7149 from nnoeabs.peaks (8.08, 7.65, 117.93 ppm; 2.95 A): 1 out of 1 assignment used, quality = 0.74: * H ASN 96 + H LEU 97 OK 74 100 - 74 - 7135=38, 3.0/7150=20...(11) Peak 7150 from nnoeabs.peaks (4.38, 7.65, 117.93 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.80: * HA ASN 96 + H LEU 97 OK 80 100 - 80 - 3.6=57, 3.0/7149=24...(7) HB THR 51 - H LEU 97 poor 8 72 - 11 - 2.1/10645=3, 4.0/6484=3 HA ARG 144 - H LEU 97 lone 2 62 - 4 - HA ASP 30 - H LEU 97 lone 1 77 - 2 - HB THR 18 - H LEU 97 lone 1 94 - 1 - Peak 7151 from nnoeabs.peaks (2.74, 7.65, 117.93 ppm; 3.96 A): 1 out of 9 assignments used, quality = 0.91: * HB2 ASN 96 + H LEU 97 OK 91 100 - 91 - 4.7=61, 1.8/3187=33...(8) HB3 ASP 137 - H LEU 97 lone 8 92 - 9 - 9707/11421=3, 3169/3.6=1 HG3 MET 113 - H LEU 97 lone 6 81 - 8 - 3169/3.6=3, 3183/4.7=2 HB3 TYR 70 - H LEU 97 lone 6 89 - 6 - 3169/3.6=3, 7131/4.6=1 HB3 PHE 43 - H LEU 97 lone 4 92 - 5 - 3169/3.6=1, 8244/10125=1 HB2 PHE 38 - H LEU 97 lone 2 89 - 2 - HB2 ASN 54 - H LEU 97 lone 1 77 - 2 - HB3 GLU 120 - H LEU 97 lone 1 77 - 2 - HB3 ASP 40 - H LEU 97 lone 1 57 - 1 - Peak 7152 from nnoeabs.peaks (3.11, 7.65, 117.93 ppm; 3.73 A): 4 out of 8 assignments used, quality = 0.91: * HB3 ASN 96 + H LEU 97 OK 87 100 - 87 - 4.7=51, 1.8/3180=31...(9) HA ALA 105 + H LEU 97 OK 15 100 - 15 - 9126/5.0=6, 9223/4.0=2...(6) HA LEU 79 + H LEU 97 OK 12 72 - 17 - 4.0/11419=6, 10110/4.8=2...(5) HD2 ARG 109 + H LEU 97 OK 10 100 - 10 - 9126/5.0=3, 3170/3.6=1 HD2 ARG 145 - H LEU 97 lone 8 98 - 8 - 3170/3.6=2, 7132/4.6=2 HD3 ARG 145 - H LEU 97 lone 8 96 - 8 - 3170/3.6=2, 7132/4.6=2 HB3 PHE 106 - H LEU 97 lone 2 77 - 2 - HB3 HIS 10 - H LEU 97 lone 1 81 - 1 - Peak 7155 from nnoeabs.peaks (4.55, 7.65, 117.93 ppm; 3.23 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 97 + H LEU 97 OK 100 100 - 100 - 2.9=100 HA PRO 98 + H LEU 97 OK 45 98 - 47 - 3.6/9102=12, 3.6/9100=10...(13) HA MET 59 - H LEU 97 OK 26 92 - 29 - 3196/4.0=4, 3203/4.0=3...(12) HA GLU 28 - H LEU 97 OK 12 98 - 12 - 3234/4.8=2, 3242/4.8=2...(4) Peak 7156 from nnoeabs.peaks (1.60, 7.65, 117.93 ppm; 2.95 A): 6 out of 13 assignments used, quality = 0.91: * HB2 LEU 97 + H LEU 97 OK 76 100 - 76 - 4.0=39, 3.1/7159=14...(15) HG2 ARG 141 + H LEU 97 OK 27 100 - 27 - 1.8/7158=7, 3.8/9099=4...(10) HG3 ARG 49 + H LEU 97 OK 22 89 - 25 - 1.8/11422=5, 3.0/1264=5...(8) HB3 LEU 64 + H LEU 97 OK 14 81 - 18 - 3.1/9847=3, 3.2/7159=3...(7) HD2 LYS 61 + H LEU 97 OK 12 77 - 16 - 3.0/7157=3, 3.0/7157=3...(9) HD3 LYS 61 + H LEU 97 OK 12 77 - 15 - 3.0/7157=3, 3.0/7157=3...(10) HG3 LYS 48 - H LEU 97 lone 9 99 - 9 - 4.9/6470=2 HB2 LEU 79 - H LEU 97 lone 8 85 - 10 - 3.1/11419=5, 3.0/7152=1 HB2 LEU 87 - H LEU 97 lone 7 85 - 8 - 4.6/9098=2, 9134/4.8=1 HG2 ARG 144 - H LEU 97 lone 6 100 - 6 - HG LEU 108 - H LEU 97 lone 6 100 - 6 - HG3 ARG 144 - H LEU 97 lone 5 81 - 6 - HG3 LYS 36 - H LEU 97 lone 2 77 - 2 - Peak 7157 from nnoeabs.peaks (1.26, 7.65, 117.93 ppm; 3.27 A): 3 out of 6 assignments used, quality = 0.93: * HB3 LEU 97 + H LEU 97 OK 86 100 - 86 - 4.0=53, 3.1/7159=17...(18) QG2 THR 99 + H LEU 97 OK 32 100 - 32 - 9156/2.9=10, 9155/4.8=4...(9) HG3 LYS 61 + H LEU 97 OK 24 100 - 24 - 3191/2.9=4, 3198/4.0=3...(10) HG2 LYS 61 - H LEU 97 OK 24 92 - 26 - 3191/2.9=4, 3198/4.0=3...(11) QG2 THR 102 - H LEU 97 OK 15 81 - 18 - 2.1/9099=5, 9191/4.8=2...(7) HB2 LEU 132 - H LEU 97 OK 12 99 - 12 - 9593/4.8=2, 3191/2.9=2...(5) Peak 7158 from nnoeabs.peaks (1.68, 7.65, 117.93 ppm; 2.86 A): 3 out of 6 assignments used, quality = 0.85: * HG LEU 97 + H LEU 97 OK 67 100 - 67 - 2.1/7159=18, 5.3=16...(15) HG LEU 26 + H LEU 97 OK 36 98 - 37 - 2.1/10548=14...(8) HG3 ARG 141 + H LEU 97 OK 30 100 - 30 - 1.8/7156=4...(12) HD2 LYS 93 - H LEU 97 lone 9 96 - 9 - 3.4/10127=1, 9016/9101=1 HD3 LYS 48 - H LEU 97 lone 5 81 - 7 - HB2 ARG 145 - H LEU 97 lone 2 62 - 3 - Peak 7159 from nnoeabs.peaks (0.85, 7.65, 117.93 ppm; 3.05 A): 3 out of 3 assignments used, quality = 0.90: * QD2 LEU 97 + H LEU 97 OK 83 100 - 83 - 5.0=23, 3193/2.9=18...(18) QG2 ILE 83 + H LEU 97 OK 27 89 - 30 - 3193/2.9=5, 3207/4.0=4...(11) QD1 LEU 64 + H LEU 97 OK 18 72 - 25 - 3193/2.9=4, 2.1/9847=4...(9) Peak 7160 from nnoeabs.peaks (0.88, 7.65, 117.93 ppm; 3.06 A): 3 out of 7 assignments used, quality = 0.95: * QD1 LEU 97 + H LEU 97 OK 83 100 - 83 - 4.8=25, 2.1/7159=20...(20) QD1 ILE 101 + H LEU 97 OK 52 98 - 53 - 9175/4.8=11, 9173/4.8=10...(14) QG2 ILE 101 + H LEU 97 OK 42 100 - 42 - 3.2/11421=8, 10140/2.9=6...(14) QG2 ILE 136 - H LEU 97 lone 10 100 - 10 - 3208/4.0=1, 3201/4.0=1...(4) QG2 ILE 56 - H LEU 97 lone 6 62 - 10 - 10140/2.9=2, 11010/4.0=2 HB3 LEU 42 - H LEU 97 lone 6 77 - 8 - 9084/3.6=2, 3.0/10118=2 QG2 VAL 80 - H LEU 97 lone 4 72 - 6 - 10908/10558=1, 8754/4.0=1 Peak 7161 from nnoeabs.peaks (8.31, 8.31, 113.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 99 + H THR 99 OK 100 100 - 100 Peak 7162 from nnoeabs.peaks (4.55, 8.31, 113.66 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.87: * HA PRO 98 + H THR 99 OK 80 100 - 80 - 3.6=60, 2.3/3265=18...(9) HA LEU 97 + H THR 99 OK 33 98 - 34 - 4.8/3257=11, 9156/4.0=6...(8) HA GLU 28 - H THR 99 lone 6 100 - 6 - 3266/4.2=2, 3258/4.2=2 HA MET 59 - H THR 99 lone 3 72 - 5 - 9156/4.0=1 Peak 7163 from nnoeabs.peaks (2.35, 8.31, 113.66 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.98: * HB2 PRO 98 + H THR 99 OK 98 100 - 98 - 4.2=88, 2.3/3257=41...(14) HB2 GLN 47 - H THR 99 OK 21 81 - 26 - 1103/4.2=6, 3251/3.6=6...(8) HE2 LYS 123 - H THR 99 OK 20 98 - 20 - 3251/3.6=6, 9151/4.0=5...(6) HB3 GLN 47 - H THR 99 OK 20 81 - 24 - 3267/4.2=6, 3251/3.6=6...(7) Peak 7164 from nnoeabs.peaks (1.95, 8.31, 113.66 ppm; 4.24 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 98 + H THR 99 OK 100 100 - 100 - 4.2=100 HG2 PRO 52 - H THR 99 OK 32 72 - 45 - 3.8/7169=9, 2.3/7165=6...(17) HB3 PRO 52 - H THR 99 OK 31 68 - 46 - 2.3/7169=12, 1.8/7165=7...(15) HB2 LYS 61 - H THR 99 OK 19 96 - 20 - 3252/3.6=4, 3260/4.2=3...(6) HB2 LYS 34 - H THR 99 poor 10 77 - 13 - 3260/4.2=5, 3252/3.6=4 HB ILE 56 - H THR 99 lone 6 99 - 6 - 3252/3.6=2, 3260/4.2=2 HB3 GLU 122 - H THR 99 lone 3 85 - 4 - HB3 MET 11 - H THR 99 lone 2 81 - 2 - Peak 7165 from nnoeabs.peaks (2.04, 8.31, 113.66 ppm; 4.99 A): 3 out of 6 assignments used, quality = 0.98: * HG2 PRO 98 + H THR 99 OK 86 100 - 87 - 2.3/3273=43, 2.3/3265=42...(13) HG3 PRO 98 + H THR 99 OK 66 77 - 85 - 2.3/3273=43, 2.3/3265=42...(11) HB2 PRO 52 + H THR 99 OK 57 89 - 64 - 2.3/7169=14, 3261/4.2=8...(19) HB2 PRO 33 - H THR 99 OK 17 96 - 17 - 3261/4.2=3, 3269/4.2=3...(8) HB3 LYS 34 - H THR 99 OK 13 68 - 19 - 3261/4.2=6, 3269/4.2=6...(4) HA ARG 35 - H THR 99 lone 6 77 - 8 - 4.9/11676=2, 3262/4.2=2...(4) Peak 7166 from nnoeabs.peaks (2.06, 8.31, 113.66 ppm; 5.86 A): 3 out of 7 assignments used, quality = 0.99: * HG3 PRO 98 + H THR 99 OK 89 100 - 90 - 2.3/3273=46, 2.3/3265=46...(12) HB2 PRO 52 + H THR 99 OK 73 100 - 74 - 2.3/7169=15, 3262/4.2=12...(19) HG2 PRO 98 + H THR 99 OK 69 77 - 90 - 2.3/3273=46, 2.3/3265=46...(12) HA ARG 35 - H THR 99 OK 12 100 - 12 - 4.9/11676=3, 3262/4.2=2...(4) HB3 GLN 62 - H THR 99 OK 11 81 - 13 - 3262/4.2=3, 3270/4.2=2...(4) HD2 ARG 49 - H THR 99 poor 8 72 - 12 - 3262/4.2=3, 3270/4.2=3...(4) HB2 LEU 26 - H THR 99 lone 3 62 - 5 - 3262/4.2=1 Peak 7169 from nnoeabs.peaks (4.10, 8.31, 113.66 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * HA THR 99 + H THR 99 OK 100 100 - 100 - 3.0=100 HA PRO 52 + H THR 99 OK 49 98 - 50 - 3290=13, 9158/3.6=8...(17) HB THR 110 - H THR 99 lone 7 99 - 7 - 3301/4.0=2, 3296/3.8=1 HD3 PRO 33 - H THR 99 lone 6 89 - 7 - 3.0/7165=1 Peak 7170 from nnoeabs.peaks (4.27, 8.31, 113.66 ppm; 3.94 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 99 + H THR 99 OK 100 100 - 100 - 3.8=100 HA2 GLY 50 - H THR 99 lone 7 100 - 7 - 3302/4.0=2, 3292/3.0=2 HA SER 138 - H THR 99 lone 6 100 - 6 - 3302/4.0=2, 3292/3.0=2 HA ALA 135 - H THR 99 lone 5 99 - 5 - 3292/3.0=2, 3302/4.0=2 HA LEU 95 - H THR 99 lone 4 96 - 4 - 3292/3.0=1, 3302/4.0=1 HA ARG 49 - H THR 99 lone 3 94 - 3 - HA ARG 140 - H THR 99 lone 3 81 - 3 - HA PRO 118 - H THR 99 lone 2 62 - 2 - 7176/4.6=1 HA3 GLY 78 - H THR 99 lone 1 68 - 1 - Peak 7171 from nnoeabs.peaks (1.26, 8.31, 113.66 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.95: * QG2 THR 99 + H THR 99 OK 92 100 - 92 - 4.0=70, 3301/3.0=28...(10) HB3 LEU 97 + H THR 99 OK 31 100 - 31 - 3.0/7162=8, 3293/3.0=7...(7) HG3 LYS 61 - H THR 99 OK 14 100 - 14 - 9139/3.6=3, 1695/4.2=3...(6) HG2 LYS 61 - H THR 99 OK 14 96 - 14 - 8305/4.2=3, 1684/4.2=2...(7) HB2 LEU 132 - H THR 99 OK 13 100 - 13 - 4478/4.6=4, 3293/3.0=4 QG2 THR 102 - H THR 99 lone 2 89 - 3 - Peak 7173 from nnoeabs.peaks (7.73, 7.73, 114.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 100 + H SER 100 OK 100 100 - 100 Peak 7175 from nnoeabs.peaks (4.10, 7.73, 114.05 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 99 + H SER 100 OK 100 100 - 100 - 3.6=100 HA PRO 52 - H SER 100 OK 24 98 - 25 - 3294=5, 7169/4.6=5...(6) HB THR 110 - H SER 100 lone 5 99 - 5 - 3301/4.0=1 HD3 PRO 33 - H SER 100 lone 4 89 - 4 - Peak 7176 from nnoeabs.peaks (4.27, 7.73, 114.05 ppm; 3.63 A): 1 out of 9 assignments used, quality = 0.74: * HB THR 99 + H SER 100 OK 74 100 - 74 - 4.4=56, 3292/3.6=26...(5) HA SER 138 - H SER 100 lone 8 100 - 8 - 3302/4.0=2, 3292/3.6=1 HA2 GLY 50 - H SER 100 lone 8 100 - 8 - 3302/4.0=1, 1.8/7179=1 HA PRO 118 - H SER 100 poor 6 62 - 10 - 2.3/9166=3, 3.6/7179=2, ~3956=1 HA ALA 135 - H SER 100 lone 6 99 - 6 - 3292/3.6=1, 3302/4.0=1 HA ARG 140 - H SER 100 lone 4 81 - 5 - HA LEU 95 - H SER 100 lone 3 96 - 3 - HA ARG 49 - H SER 100 lone 3 94 - 3 - HA3 GLY 78 - H SER 100 lone 1 68 - 1 - Peak 7177 from nnoeabs.peaks (1.26, 7.73, 114.05 ppm; 4.55 A): 2 out of 6 assignments used, quality = 1.00: * QG2 THR 99 + H SER 100 OK 100 100 - 100 - 4.0=100 HB2 LEU 132 + H SER 100 OK 65 100 - 65 - 1.8/9166=14, 4478=12...(14) HB3 LEU 97 - H SER 100 OK 36 100 - 36 - 3293/3.6=9, 3298/4.4=7...(10) HG3 LYS 61 - H SER 100 OK 34 100 - 34 - 9161/2.9=5, 3.0/1681=4...(12) HG2 LYS 61 - H SER 100 OK 33 96 - 34 - 9161/2.9=5, 3.0/1681=4...(12) QG2 THR 102 - H SER 100 lone 5 89 - 6 - Peak 7178 from nnoeabs.peaks (4.30, 7.73, 114.05 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 100 + H SER 100 OK 100 100 - 100 - 2.9=100 HA ARG 89 - H SER 100 OK 14 89 - 16 - 8949/4.0=6, 3.0/9166=2...(7) HA ILE 56 - H SER 100 lone 7 94 - 8 - 3311/4.1=1, 7184/4.6=1 HA THR 18 - H SER 100 lone 2 72 - 3 - Peak 7179 from nnoeabs.peaks (3.83, 7.73, 114.05 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.98: * HB2 SER 100 + H SER 100 OK 98 100 - 98 - 4.1=89, 3311/2.9=34...(10) HA GLN 133 - H SER 100 OK 31 100 - 31 - 2.8/7677=8, 4.9/4468=4...(10) HD2 PRO 118 - H SER 100 OK 21 100 - 21 - 3.0/9166=3, 3307/2.9=3...(10) HA ALA 104 - H SER 100 OK 13 89 - 15 - 7185/4.6=3, 3307/2.9=3...(5) HB2 SER 127 - H SER 100 OK 13 77 - 16 - 10119/4.0=4, 4.7/10155=3...(5) HA LEU 66 - H SER 100 OK 11 94 - 12 - 10119/4.0=4, 3307/2.9=2...(4) HA3 GLY 50 - H SER 100 lone 8 85 - 9 - 1.8/7176=3, 10160/4.0=2 HA MET 68 - H SER 100 lone 6 81 - 8 - 7185/4.6=1, 3307/2.9=1 Peak 7180 from nnoeabs.peaks (4.01, 7.73, 114.05 ppm; 4.01 A): 1 out of 13 assignments used, quality = 0.99: * HB3 SER 100 + H SER 100 OK 99 100 - 99 - 4.1=96, 3316/2.9=37...(9) HB THR 107 - H SER 100 OK 18 98 - 19 - 3453/4.1=6, 3308/2.9=5...(4) HA LYS 123 - H SER 100 OK 17 94 - 18 - 10118/4.0=8, 6.2/9167=5...(5) HA VAL 63 - H SER 100 poor 9 68 - 13 - 3308/2.9=3, 8354/4.0=2...(4) HA LEU 69 - H SER 100 poor 7 68 - 10 - 3308/2.9=3, 3313/4.1=3 HB2 SER 103 - H SER 100 lone 4 100 - 4 - 7186/4.6=1 HA GLU 81 - H SER 100 lone 4 85 - 5 - 10118/4.0=3 HB2 SER 138 - H SER 100 lone 4 68 - 5 - 3.0/7176=2 HB3 SER 138 - H SER 100 lone 4 68 - 5 - 3.0/7176=2 HA GLU 122 - H SER 100 lone 3 72 - 4 - HA GLU 37 - H SER 100 lone 3 89 - 3 - 10118/4.0=1 HA MET 113 - H SER 100 lone 2 72 - 3 - HA LYS 114 - H SER 100 lone 1 72 - 2 - Peak 7181 from nnoeabs.peaks (7.43, 7.73, 114.05 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.95: * H ILE 101 + H SER 100 OK 93 100 - 93 - 4.6=79, 7184/2.9=32...(10) HD22 ASN 84 + H SER 100 OK 27 100 - 27 - 10152/3.6=6, 3309/2.9=5...(6) Peak 7182 from nnoeabs.peaks (7.43, 7.43, 121.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 101 + H ILE 101 OK 100 100 - 100 Peak 7183 from nnoeabs.peaks (7.73, 7.43, 121.94 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.99: * H SER 100 + H ILE 101 OK 99 100 - 99 - 4.6=96, 2.9/7184=35...(10) H LEU 132 - H ILE 101 OK 25 100 - 25 - 3305/3.6=6, 3310/4.5=5...(6) H GLN 62 - H ILE 101 OK 17 100 - 17 - 3305/3.6=4...(5) HD21 ASN 128 - H ILE 101 lone 5 92 - 6 - 3305/3.6=1 Peak 7184 from nnoeabs.peaks (4.30, 7.43, 121.94 ppm; 3.39 A): 2 out of 4 assignments used, quality = 0.94: * HA SER 100 + H ILE 101 OK 93 100 - 93 - 3.6=86, 3316/4.5=17...(8) HA ARG 89 + H ILE 101 OK 10 89 - 12 - 7178/4.6=2, 3.0/7188=1...(6) HA ILE 56 - H ILE 101 lone 8 94 - 9 - 1458/4.0=3, 1446/5.0=1 HA THR 18 - H ILE 101 lone 1 72 - 2 - Peak 7185 from nnoeabs.peaks (3.83, 7.43, 121.94 ppm; 4.45 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 100 + H ILE 101 OK 100 100 - 100 - 4.5=100 HA ALA 104 - H ILE 101 OK 39 89 - 44 - 2.1/10193=16...(8) HA GLN 133 - H ILE 101 OK 33 100 - 33 - 9614/4.7=5, 9169/4.0=5...(9) HA LEU 66 - H ILE 101 OK 16 94 - 17 - 1881/3.9=4, 11155/4.0=4...(5) HA MET 68 - H ILE 101 OK 16 81 - 19 - 8436/4.0=5, 9168/3.9=3...(6) HD2 PRO 118 - H ILE 101 OK 14 100 - 14 - 3307/3.6=3, 7179/4.6=3...(5) HB2 SER 127 - H ILE 101 OK 11 77 - 14 - 9169/4.0=3, 9168/3.9=2...(6) HA3 GLY 50 - H ILE 101 lone 4 85 - 5 - Peak 7186 from nnoeabs.peaks (4.01, 7.43, 121.94 ppm; 4.45 A): 1 out of 13 assignments used, quality = 0.99: * HB3 SER 100 + H ILE 101 OK 99 100 - 99 - 4.5=99 HB THR 107 - H ILE 101 OK 35 98 - 36 - 3453/4.5=7, 9243/4.0=6...(9) HA LYS 123 - H ILE 101 OK 18 94 - 19 - 4101/4.7=4, 10429/4.0=3...(8) HB2 SER 103 - H ILE 101 OK 15 100 - 16 - ~10152=4, 10154/3.9=3...(6) HA LEU 69 - H ILE 101 OK 14 68 - 20 - 3313/4.5=3, 3308/3.6=3...(8) HA VAL 63 - H ILE 101 poor 8 68 - 12 - 3308/3.6=3, 3313/4.5=2...(5) HA GLU 81 - H ILE 101 lone 7 85 - 8 - 9970/8766=1, 2438/6933=1 HA LYS 114 - H ILE 101 lone 7 72 - 10 - 9179/5.0=3, 3737/4.7=3 HA GLU 37 - H ILE 101 lone 7 89 - 7 - 10429/4.0=1 HB2 SER 138 - H ILE 101 lone 5 68 - 7 - 9179/5.0=2, 9723/4.0=2 HB3 SER 138 - H ILE 101 lone 5 68 - 7 - 9179/5.0=2, 9723/4.0=2 HA GLU 122 - H ILE 101 lone 4 72 - 6 - 9179/5.0=1 HA MET 113 - H ILE 101 lone 3 72 - 4 - 9179/5.0=2 Peak 7187 from nnoeabs.peaks (4.21, 7.43, 121.94 ppm; 3.50 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 101 + H ILE 101 OK 100 100 - 100 - 3.0=100 HA PHE 45 - H ILE 101 OK 41 98 - 41 - 3320=10, 3329/3.9=3...(22) HA THR 102 - H ILE 101 OK 32 100 - 32 - 9189/4.0=6, 3329/3.9=4...(11) HA ALA 134 - H ILE 101 OK 32 100 - 32 - 2.1/7191=4, 3337/4.0=4...(12) HA LYS 93 - H ILE 101 OK 19 98 - 20 - 3329/3.9=2, 3.0/7188=2...(8) HA LYS 85 - H ILE 101 lone 6 81 - 7 - HA PHE 43 - H ILE 101 lone 2 62 - 3 - Peak 7188 from nnoeabs.peaks (1.90, 7.43, 121.94 ppm; 3.08 A): 5 out of 12 assignments used, quality = 0.93: * HB ILE 101 + H ILE 101 OK 84 100 - 84 - 3.9=48, 2.1/3336=17...(23) HB2 LYS 24 + H ILE 101 OK 27 100 - 27 - 11349=6, 1.8/11352=6...(10) HB ILE 136 + H ILE 101 OK 17 81 - 21 - 2.1/7189=3, 4606/4.0=3...(12) HB3 LYS 93 + H ILE 101 OK 14 85 - 16 - 3035/3.0=2, 3.0/7187=2...(4) HB3 LEU 69 + H ILE 101 OK 11 99 - 11 - 3322/3.0=1, 2019/4.5=1 HB3 ARG 89 - H ILE 101 lone 9 100 - 9 - 3.0/7184=2, 2867/3.6=2 HB3 ARG 140 - H ILE 101 lone 8 89 - 9 - 3322/3.0=2, 3338/4.0=2...(5) HB3 GLN 111 - H ILE 101 lone 6 100 - 6 - QE MET 68 - H ILE 101 lone 4 96 - 4 - HG13 ILE 83 - H ILE 101 lone 2 72 - 3 - HB3 ARG 141 - H ILE 101 lone 2 72 - 2 - HB2 LYS 86 - H ILE 101 lone 1 62 - 1 - Peak 7189 from nnoeabs.peaks (0.88, 7.43, 121.94 ppm; 3.22 A): 2 out of 6 assignments used, quality = 0.98: * QG2 ILE 101 + H ILE 101 OK 89 100 - 89 - 4.0=52, 2.1/3328=21...(25) QD1 ILE 101 + H ILE 101 OK 85 100 - 85 - 5.0=26, 2.1/3352=21...(23) QG2 ILE 136 - H ILE 101 OK 24 100 - 24 - 3326/3.0=3, 2.1/7188=3...(12) QD1 LEU 97 - H ILE 101 OK 23 100 - 23 - 10134/4.6=5, 10109/3.9=3...(8) QG2 VAL 80 - H ILE 101 OK 15 81 - 19 - 2.1/8766=7, 8762/3.6=5...(4) HB3 LEU 42 - H ILE 101 lone 2 68 - 2 - Peak 7190 from nnoeabs.peaks (1.23, 7.43, 121.94 ppm; 3.61 A): 2 out of 4 assignments used, quality = 0.95: * HG12 ILE 101 + H ILE 101 OK 93 100 - 93 - 4.7=47, 1.8/3352=28...(21) HB3 LEU 87 + H ILE 101 OK 27 100 - 27 - 3340/4.0=6, 3332/3.9=6...(8) QG2 THR 107 - H ILE 101 OK 20 81 - 25 - 9245/4.0=4, 2.1/7186=4...(9) HD3 LYS 123 - H ILE 101 OK 15 77 - 20 - 3332/3.9=4, 3340/4.0=4...(7) Peak 7191 from nnoeabs.peaks (1.49, 7.43, 121.94 ppm; 3.40 A): 5 out of 5 assignments used, quality = 0.95: * HG13 ILE 101 + H ILE 101 OK 89 100 - 89 - 4.7=39, 1.8/3344=23...(22) HB3 LEU 29 + H ILE 101 OK 21 100 - 21 - 4.0/10168=13, 3333/3.9=2...(6) QB ALA 134 + H ILE 101 OK 20 81 - 25 - 3325/3.0=5, 3333/3.9=4...(8) HG2 LYS 34 + H ILE 101 OK 20 89 - 23 - 3341/4.0=4, 3333/3.9=4...(8) HD3 LYS 114 + H ILE 101 OK 12 100 - 12 - 3333/3.9=2, 3341/4.0=2...(5) Peak 7192 from nnoeabs.peaks (0.89, 7.43, 121.94 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.98: QG2 ILE 101 + H ILE 101 OK 88 100 - 89 - 4.0=52, 2.1/3328=21...(26) * QD1 ILE 101 + H ILE 101 OK 85 100 - 85 - 5.0=26, 2.1/3352=21...(24) QG2 ILE 136 - H ILE 101 OK 24 100 - 25 - 3326/3.0=3, 2.1/7188=3...(12) QD1 LEU 97 - H ILE 101 OK 22 98 - 23 - 10134/4.6=5, 10109/3.9=3...(8) QG2 VAL 80 - H ILE 101 OK 19 92 - 21 - 2.1/8766=7, 8762/3.6=6...(4) Peak 7194 from nnoeabs.peaks (8.24, 8.24, 120.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 102 + H THR 102 OK 100 100 - 100 Peak 7196 from nnoeabs.peaks (4.21, 8.24, 120.14 ppm; 3.52 A): 2 out of 7 assignments used, quality = 1.00: HA THR 102 + H THR 102 OK 100 100 - 100 - 3.0=100 * HA ILE 101 + H THR 102 OK 98 100 - 98 - 3.6=97, 3.2/3343=16...(14) HA PHE 45 - H THR 102 OK 23 98 - 23 - 3327=6, 3320/4.6=4...(9) HA LYS 93 - H THR 102 OK 22 98 - 22 - 3374/3.9=3, 3370/3.0=3...(13) HA ALA 134 - H THR 102 OK 15 100 - 15 - 3337/4.1=4, 3329/4.3=3 HA LYS 85 - H THR 102 OK 10 81 - 13 - 3370/3.0=3, 3374/3.9=2...(5) HA PHE 43 - H THR 102 lone 1 62 - 2 - Peak 7197 from nnoeabs.peaks (1.90, 8.24, 120.14 ppm; 6.80 A): 3 out of 12 assignments used, quality = 1.00: * HB ILE 101 + H THR 102 OK 100 100 - 100 - 4.3=100 HB2 LYS 24 + H THR 102 OK 46 100 - 46 - 11349/4.6=30...(7) HB3 LYS 93 + H THR 102 OK 45 85 - 53 - ~3370=6, ~3023=5...(20) HB ILE 136 - H THR 102 OK 28 81 - 34 - 4606/4.1=8, 3322/3.6=5...(10) HB3 GLN 111 - H THR 102 OK 16 100 - 16 - 11025/4.1=7, 3322/3.6=2...(4) HB3 LEU 69 - H THR 102 OK 15 99 - 16 - 7188/4.6=3, 3322/3.6=3...(4) HB3 ARG 140 - H THR 102 OK 14 89 - 15 - 3338/4.1=4, 3322/3.6=3...(5) HB3 ARG 89 - H THR 102 OK 13 100 - 13 - 3338/4.1=3, 7188/4.6=2...(4) HB3 ARG 141 - H THR 102 poor 10 72 - 14 - 10109/10134=3...(4) QE MET 68 - H THR 102 lone 8 96 - 8 - 3338/4.1=1, 7188/4.6=1 HG13 ILE 83 - H THR 102 lone 5 72 - 7 - 3338/4.1=1 HB2 LYS 86 - H THR 102 lone 2 62 - 4 - Peak 7198 from nnoeabs.peaks (0.88, 8.24, 120.14 ppm; 4.38 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 101 + H THR 102 OK 100 100 - 100 - 4.1=100 QD1 ILE 101 + H THR 102 OK 85 100 - 85 - 3.1/3343=24, 10172=22...(20) QD1 LEU 97 + H THR 102 OK 52 100 - 52 - 10134=12, 9191/4.0=8...(13) QG2 ILE 136 - H THR 102 OK 25 100 - 25 - 3331/4.3=5, 3326/3.6=4...(9) QG2 VAL 80 - H THR 102 poor 8 81 - 10 - 7192/4.6=2, 9189/3.0=1...(5) HB3 LEU 42 - H THR 102 lone 3 68 - 4 - Peak 7199 from nnoeabs.peaks (1.23, 8.24, 120.14 ppm; 5.98 A): 2 out of 4 assignments used, quality = 0.96: * HG12 ILE 101 + H THR 102 OK 94 100 - 94 - 3.2/3343=32, 3344/4.6=31...(19) HB3 LEU 87 + H THR 102 OK 38 100 - 38 - 3340/4.1=11, 3332/4.3=11...(6) HD3 LYS 123 - H THR 102 OK 29 77 - 37 - 3.0/10335=9, 3332/4.3=8...(7) QG2 THR 107 - H THR 102 OK 26 81 - 32 - 9245/4.1=8, 11630/4.3=8...(6) Peak 7201 from nnoeabs.peaks (0.89, 8.24, 120.14 ppm; 4.38 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 101 + H THR 102 OK 100 100 - 100 - 4.1=100 * QD1 ILE 101 + H THR 102 OK 85 100 - 85 - 3.1/3343=24, 10172=22...(20) QD1 LEU 97 + H THR 102 OK 50 98 - 52 - 10134=12, 9191/4.0=8...(13) QG2 ILE 136 - H THR 102 OK 26 100 - 26 - 3334/4.3=5, 3326/3.6=4...(9) QG2 VAL 80 - H THR 102 OK 11 92 - 11 - 7192/4.6=2, 9189/3.0=1...(6) Peak 7202 from nnoeabs.peaks (4.21, 8.24, 120.14 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: * HA THR 102 + H THR 102 OK 100 100 - 100 - 3.0=100 HA ILE 101 + H THR 102 OK 98 100 - 98 - 3.6=97, 3.2/3343=16...(14) HA PHE 45 - H THR 102 OK 23 100 - 23 - 3327=6, 3320/4.6=4...(9) HA LYS 93 - H THR 102 OK 22 100 - 22 - 3370/3.0=4, 3374/3.9=3...(13) HA ALA 134 - H THR 102 OK 14 98 - 15 - 3337/4.1=4, 3329/4.3=3 HA LYS 85 - H THR 102 OK 12 89 - 13 - 3370/3.0=4, 3374/3.9=2...(5) Peak 7203 from nnoeabs.peaks (4.23, 8.24, 120.14 ppm; 3.52 A): 4 out of 6 assignments used, quality = 0.90: * HB THR 102 + H THR 102 OK 86 100 - 86 - 3.9=71, 3370/3.0=25...(8) HB THR 92 + H THR 102 OK 13 81 - 16 - 10148=4, 10087/4.0=2...(7) HA LYS 93 + H THR 102 OK 11 62 - 18 - 3370/3.0=5, 3380/4.0=3...(9) HA LYS 85 + H THR 102 OK 11 89 - 12 - 3370/3.0=4, 3380/4.0=2...(5) HA PHE 45 - H THR 102 poor 7 62 - 11 - 3370/3.0=1, ~1024=1, ~1033=1 HA ARG 141 - H THR 102 lone 5 98 - 5 - 3370/3.0=1, 7209/4.6=1 Peak 7204 from nnoeabs.peaks (1.27, 8.24, 120.14 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * QG2 THR 102 + H THR 102 OK 100 100 - 100 - 4.0=100 QB ALA 104 - H THR 102 OK 40 72 - 56 - 10127/4.3=19, ~10185=8...(13) HB3 LEU 97 - H THR 102 OK 31 81 - 38 - 3.2/10134=10...(10) QG2 THR 99 - H THR 102 OK 20 89 - 23 - 10153/4.6=7, 9155/4.1=5...(7) HB2 LEU 132 - H THR 102 lone 8 94 - 8 - 9593/4.1=2, 3371/3.0=2 HG2 LYS 61 - H THR 102 lone 5 100 - 5 - HG3 LYS 61 - H THR 102 lone 4 89 - 5 - 3371/3.0=1 Peak 7206 from nnoeabs.peaks (8.40, 8.40, 115.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 103 + H SER 103 OK 100 100 - 100 Peak 7208 from nnoeabs.peaks (4.21, 8.40, 115.87 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 102 + H SER 103 OK 100 100 - 100 - 3.6=100 HA ILE 101 - H SER 103 OK 41 100 - 41 - 7196/4.6=12, 3374/4.6=8...(7) HA LYS 93 - H SER 103 OK 27 100 - 27 - 10152/4.1=6, 10151/3.0=5...(7) HA PHE 45 - H SER 103 OK 24 100 - 24 - 10152/4.1=6, 3327/4.6=4...(8) HA LYS 85 - H SER 103 OK 14 89 - 15 - 3370/3.6=4, 3380/4.2=4...(5) HA ALA 134 - H SER 103 lone 9 98 - 9 - 10152/4.1=2, 7196/4.6=2...(5) Peak 7209 from nnoeabs.peaks (4.23, 8.40, 115.87 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 102 + H SER 103 OK 100 100 - 100 - 4.6=100 HB THR 92 - H SER 103 OK 18 81 - 22 - 9206/4.6=7, 10148/4.6=7...(4) HA ARG 141 - H SER 103 OK 16 98 - 16 - 9206/4.6=3, 10375/4.1=3...(6) HA LYS 85 - H SER 103 OK 14 89 - 16 - 3370/3.6=5, 3380/4.2=4...(6) HA LYS 93 - H SER 103 OK 14 62 - 23 - 3370/3.6=6, 3380/4.2=5...(6) HA PHE 45 - H SER 103 OK 12 62 - 19 - 10151/3.0=4, 10152/4.1=2...(9) Peak 7210 from nnoeabs.peaks (1.27, 8.40, 115.87 ppm; 5.93 A): 1 out of 7 assignments used, quality = 1.00: * QG2 THR 102 + H SER 103 OK 100 100 - 100 - 4.2=100 QB ALA 104 - H SER 103 OK 27 72 - 37 - 9205/3.0=12, 9204/4.6=10...(5) HB3 LEU 97 - H SER 103 OK 26 81 - 32 - 3371/3.6=11, 3376/4.6=10...(4) QG2 THR 99 - H SER 103 OK 11 89 - 12 - 7204/4.6=4, 3371/3.6=2 HB2 LEU 132 - H SER 103 lone 8 94 - 9 - 3371/3.6=2, 3376/4.6=2 HG2 LYS 61 - H SER 103 lone 6 100 - 6 - 3371/3.6=1 HG3 LYS 61 - H SER 103 lone 6 89 - 6 - 3371/3.6=1, 3376/4.6=1 Peak 7211 from nnoeabs.peaks (4.47, 8.40, 115.87 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 103 + H SER 103 OK 100 100 - 100 - 3.0=100 HA3 GLY 31 + H SER 103 OK 67 100 - 67 - 406=14, 10187/4.2=10...(12) HA ASP 137 - H SER 103 OK 38 96 - 40 - 10186/3.6=10...(10) HA ASP 41 - H SER 103 OK 35 89 - 40 - 10509/4.2=23...(10) HA SER 44 - H SER 103 OK 31 100 - 30 - 996/4.6=7, 4.9/7208=5...(8) Peak 7212 from nnoeabs.peaks (4.01, 8.40, 115.87 ppm; 6.80 A): 1 out of 13 assignments used, quality = 1.00: * HB2 SER 103 + H SER 103 OK 100 100 - 100 - 4.1=100 HA VAL 63 - H SER 103 OK 18 68 - 27 - 8364/3.0=11, 3.2/10188=6...(5) HB THR 107 - H SER 103 OK 16 98 - 16 - 7218/4.6=6, 3395/4.1=3...(4) HB3 SER 100 - H SER 103 OK 10 100 - 10 - 7218/4.6=4, 3385/3.0=1 HA LYS 123 - H SER 103 OK 10 94 - 11 - 7218/4.6=5, 3385/3.0=1 HA LEU 69 - H SER 103 lone 6 68 - 9 - 7218/4.6=3, 3385/3.0=1 HB2 SER 138 - H SER 103 lone 6 68 - 9 - ~10472=2, ~3385=1...(4) HB3 SER 138 - H SER 103 lone 6 68 - 9 - ~10472=2, 3385/3.0=1...(4) HA MET 113 - H SER 103 lone 6 72 - 8 - 3.6/9312=2, 11700=1 HA LYS 114 - H SER 103 lone 5 72 - 7 - 3.0/9312=2 HA GLU 81 - H SER 103 lone 4 85 - 5 - 7218/4.6=1 HA GLU 37 - H SER 103 lone 4 89 - 4 - HA GLU 122 - H SER 103 lone 4 72 - 5 - Peak 7213 from nnoeabs.peaks (3.96, 8.40, 115.87 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 103 + H SER 103 OK 100 100 - 100 - 4.1=100 HA PHE 106 + H SER 103 OK 57 99 - 58 - ~9216=24, ~10149=17...(5) HA LYS 48 - H SER 103 OK 17 89 - 19 - ~6430=9, 3386/3.0=2...(5) HA GLU 75 - H SER 103 OK 10 62 - 16 - 7219/4.6=4, ~3383=2...(6) HA3 GLY 94 - H SER 103 lone 10 96 - 10 - 9046/4.6=2, 7219/4.6=2 HA ALA 60 - H SER 103 lone 8 96 - 8 - 8317/10188=1, 7219/4.6=1 HA3 GLY 143 - H SER 103 lone 5 85 - 6 - 7219/4.6=2 Peak 7215 from nnoeabs.peaks (8.00, 8.00, 124.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 104 + H ALA 104 OK 100 100 - 100 Peak 7217 from nnoeabs.peaks (4.47, 8.00, 124.10 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 103 + H ALA 104 OK 100 100 - 100 - 3.6=100 HA ASP 137 - H ALA 104 OK 23 96 - 24 - 9205/2.9=8, 9209/4.6=4...(8) HA3 GLY 31 - H ALA 104 OK 20 100 - 20 - 406/4.6=5, 9209/4.6=4...(6) HA SER 44 - H ALA 104 OK 18 100 - 18 - 9205/2.9=5, 996=3...(7) HA ASP 41 - H ALA 104 lone 6 89 - 7 - 7211/4.6=1 Peak 7218 from nnoeabs.peaks (4.01, 8.00, 124.10 ppm; 4.55 A): 1 out of 13 assignments used, quality = 0.98: * HB2 SER 103 + H ALA 104 OK 98 100 - 98 - 4.6=96, 3389/3.6=30...(6) HB THR 107 - H ALA 104 OK 36 98 - 36 - 3403/2.8=17, 9203/2.9=9...(8) HA LYS 123 - H ALA 104 OK 32 94 - 34 - ~10190=16, 3403/2.8=9...(5) HA VAL 63 - H ALA 104 OK 27 68 - 40 - 8364/3.6=9, 9203/2.9=7...(10) HB3 SER 100 - H ALA 104 OK 23 100 - 23 - 9203/2.9=6, 3403/2.8=5...(7) HA LEU 69 - H ALA 104 OK 21 68 - 31 - 9203/2.9=6, 4.9/2059=4...(11) HA GLU 81 - H ALA 104 lone 7 85 - 8 - 9203/2.9=2, 3403/2.8=2 HA GLU 122 - H ALA 104 lone 5 72 - 8 - 9203/2.9=4 HA GLU 37 - H ALA 104 lone 5 89 - 6 - 9203/2.9=2, 3403/2.8=1 HB2 SER 138 - H ALA 104 lone 4 68 - 6 - 4.7/7799=2 HB3 SER 138 - H ALA 104 lone 4 68 - 5 - 4.7/7799=2 HA MET 113 - H ALA 104 lone 4 72 - 5 - HA LYS 114 - H ALA 104 lone 4 72 - 5 - Peak 7219 from nnoeabs.peaks (3.96, 8.00, 124.10 ppm; 4.68 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 103 + H ALA 104 OK 100 100 - 100 - 4.6=100 HA PHE 106 - H ALA 104 OK 39 99 - 40 - 3386/3.6=11, ~10192=10...(6) HA GLU 75 - H ALA 104 OK 17 62 - 28 - 2.9/6788=6, ~2208=3...(12) HA LYS 48 - H ALA 104 OK 10 89 - 12 - 3.0/6434=4, 3386/3.6=2...(4) HA3 GLY 143 - H ALA 104 poor 9 85 - 11 - 3.0/7222=3, 9754/10510=2 HA3 GLY 94 - H ALA 104 lone 9 96 - 9 - 11723/2148=2, 9056/2156=2 HA ALA 60 - H ALA 104 lone 6 96 - 6 - Peak 7220 from nnoeabs.peaks (3.84, 8.00, 124.10 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: * HA ALA 104 + H ALA 104 OK 100 100 - 100 - 2.8=100 HA LEU 72 + H ALA 104 OK 46 89 - 51 - 2.9/6750=7, 3.9/2148=6...(17) HA MET 68 - H ALA 104 OK 24 100 - 24 - 3405/2.9=3, 3398=2...(11) HB2 SER 100 - H ALA 104 OK 16 89 - 18 - 3405/2.9=3, ~9203=3...(7) HB2 SER 127 - H ALA 104 OK 16 100 - 16 - 3405/2.9=3, ~4326=2...(6) HA GLN 133 - H ALA 104 OK 13 94 - 14 - 3405/2.9=4, 7226/4.6=2 HD2 PRO 118 - H ALA 104 lone 6 81 - 7 - Peak 7221 from nnoeabs.peaks (1.28, 8.00, 124.10 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 104 + H ALA 104 OK 100 100 - 100 - 2.9=100 QG2 THR 102 - H ALA 104 OK 17 72 - 24 - 3.2/10185=5, 2.1/9206=4...(8) HG12 ILE 58 - H ALA 104 lone 5 99 - 5 - 3400/2.8=1 HG13 ILE 58 - H ALA 104 lone 4 89 - 5 - Peak 7222 from nnoeabs.peaks (8.25, 8.00, 124.10 ppm; 3.95 A): 4 out of 4 assignments used, quality = 0.93: * H ALA 105 + H ALA 104 OK 88 100 - 88 - 4.6=62, 7227/2.9=30...(9) H THR 102 + H ALA 104 OK 30 81 - 37 - 3.0/10185=10, 3407/2.9=9...(8) H ASP 32 + H ALA 104 OK 13 96 - 13 - 3.5/7217=3, 6149/4.6=3...(5) H GLY 143 + H ALA 104 OK 12 68 - 17 - 3.6/10510=8, 4.6/10509=5...(4) Peak 7224 from nnoeabs.peaks (8.25, 8.25, 118.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 105 + H ALA 105 OK 100 100 - 100 Peak 7225 from nnoeabs.peaks (8.00, 8.25, 118.38 ppm; 3.95 A): 3 out of 6 assignments used, quality = 0.92: * H ALA 104 + H ALA 105 OK 88 100 - 88 - 4.6=62, 2.9/7227=30...(9) H VAL 73 + H ALA 105 OK 25 100 - 25 - 3404/3.7=6, 6758/3.6=5...(7) H ARG 140 + H ALA 105 OK 14 98 - 14 - 3404/3.7=2, 10210/2.9=2...(6) H GLN 47 - H ALA 105 lone 7 92 - 7 - 3404/3.7=1, 10210/2.9=1 H ARG 145 - H ALA 105 lone 6 89 - 7 - 10210/2.9=1 H THR 51 - H ALA 105 lone 1 62 - 1 - Peak 7226 from nnoeabs.peaks (3.84, 8.25, 118.38 ppm; 3.78 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 104 + H ALA 105 OK 100 100 - 100 - 3.6=100 HA LEU 72 - H ALA 105 OK 26 89 - 29 - 3.9/9218=5, 4.9/9229=5...(8) HA GLN 133 - H ALA 105 OK 20 94 - 21 - 3.6/7230=5, 4526/4.6=4...(7) HA MET 68 - H ALA 105 OK 18 100 - 18 - 3405/3.7=3, 4.9/9207=2...(6) HB2 SER 127 - H ALA 105 OK 17 100 - 17 - 1.8/9207=7, 3405/3.7=2...(5) HB2 SER 100 - H ALA 105 lone 9 89 - 10 - 3405/3.7=2, 7234/4.6=2...(5) HD2 PRO 118 - H ALA 105 lone 4 81 - 5 - 7234/4.6=1 Peak 7227 from nnoeabs.peaks (1.28, 8.25, 118.38 ppm; 2.99 A): 2 out of 4 assignments used, quality = 0.77: * QB ALA 104 + H ALA 105 OK 74 100 - 74 - 3.7=52, 9222/2.9=17...(8) QG2 THR 102 + H ALA 105 OK 13 72 - 18 - 9222/2.9=5, 2.1/9208=3...(7) HG12 ILE 58 - H ALA 105 lone 4 99 - 4 - HG13 ILE 58 - H ALA 105 lone 3 89 - 3 - Peak 7228 from nnoeabs.peaks (3.11, 8.25, 118.38 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 105 + H ALA 105 OK 100 100 - 100 - 2.9=100 HB3 PHE 106 - H ALA 105 OK 36 68 - 53 - 4.0/7235=14, 4.7/7229=11...(12) HD2 ARG 109 - H ALA 105 OK 22 99 - 22 - 3416/2.9=5, ~10202=4...(9) HD2 ARG 145 - H ALA 105 lone 6 94 - 6 - 3416/2.9=1 HB3 ASN 96 - H ALA 105 lone 6 100 - 6 - 9198/3.7=1, 10122/10148=1 HD3 ARG 145 - H ALA 105 lone 6 92 - 6 - 3416/2.9=1 HA LEU 79 - H ALA 105 lone 1 62 - 2 - HB3 HIS 10 - H ALA 105 lone 1 89 - 1 - Peak 7229 from nnoeabs.peaks (1.12, 8.25, 118.38 ppm; 2.59 A): 2 out of 2 assignments used, quality = 0.83: * QB ALA 105 + H ALA 105 OK 78 100 - 78 - 2.9=68, 3.7/7235=10...(8) HD2 LYS 123 + H ALA 105 OK 21 100 - 21 - 3410/2.9=5, 3.0/10335=3...(13) Peak 7230 from nnoeabs.peaks (7.70, 8.25, 118.38 ppm; 3.29 A): 2 out of 3 assignments used, quality = 0.84: * H PHE 106 + H ALA 105 OK 80 100 - 80 - 7235=42, 7237/2.9=25...(15) H ALA 134 + H ALA 105 OK 21 99 - 21 - 3418/2.9=5, 10192/3.7=4...(8) H GLU 28 - H ALA 105 lone 9 100 - 9 - 4.7/9229=4, 3418/2.9=2 Peak 7231 from nnoeabs.peaks (8.15, 8.25, 118.38 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.84: * H THR 107 + H ALA 105 OK 78 100 - 78 - 7248=31, 3.5/7235=24...(12) H SER 138 + H ALA 105 OK 26 94 - 28 - 10211/2.9=6, 10191/3.7=6...(7) H HIS 14 - H ALA 105 lone 4 77 - 5 - 10191/3.7=1, 10211/2.9=1 Peak 7232 from nnoeabs.peaks (7.70, 7.70, 117.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 106 + H PHE 106 OK 100 100 - 100 Peak 7234 from nnoeabs.peaks (3.84, 7.70, 117.43 ppm; 4.37 A): 7 out of 7 assignments used, quality = 0.90: * HA ALA 104 + H PHE 106 OK 66 100 - 66 - 3.6/7235=30, 3402/3.5=14...(9) HA GLN 133 + H PHE 106 OK 37 94 - 39 - 4526=9, 2.8/7691=5...(12) HB2 SER 100 + H PHE 106 OK 17 89 - 20 - 7247/3.5=6, 1.8/10217=3...(6) HA LEU 72 + H PHE 106 OK 15 89 - 17 - 3.8/10213=4, 3.9/10213=4...(4) HB2 SER 127 + H PHE 106 OK 13 100 - 13 - 9213/3.7=3, 7226/4.6=2...(4) HA MET 68 + H PHE 106 OK 12 100 - 12 - 7247/3.5=2, 7226/4.6=2 HD2 PRO 118 + H PHE 106 OK 12 81 - 14 - 4.6/7241=7, 7247/3.5=2 Peak 7235 from nnoeabs.peaks (8.25, 7.70, 117.43 ppm; 3.28 A): 1 out of 4 assignments used, quality = 0.78: * H ALA 105 + H PHE 106 OK 78 100 - 78 - 4.6=36, 2.9/7237=25...(15) H THR 102 - H PHE 106 poor 8 81 - 10 - 3415/3.7=3, 3408/3.6=3...(4) H ASP 32 - H PHE 106 lone 4 96 - 5 - 3.5/9216=1, 7248/3.5=1 H GLY 143 - H PHE 106 lone 2 68 - 2 - Peak 7236 from nnoeabs.peaks (3.11, 7.70, 117.43 ppm; 2.88 A): 3 out of 8 assignments used, quality = 0.91: * HA ALA 105 + H PHE 106 OK 81 100 - 81 - 3.6=53, 2.1/7237=26...(14) HB3 PHE 106 + H PHE 106 OK 47 68 - 69 - 4.0=36, 1.8/3430=20...(9) HD2 ARG 109 + H PHE 106 OK 12 99 - 13 - 3416/3.7=3, ~11591=2...(7) HD2 ARG 145 - H PHE 106 poor 10 94 - 10 - 3422/3.0=2, 3433/4.0=1...(5) HD3 ARG 145 - H PHE 106 poor 9 92 - 10 - 3422/3.0=2, 3433/4.0=1...(5) HA LEU 79 - H PHE 106 lone 4 62 - 7 - 3.7/9226=4 HB3 ASN 96 - H PHE 106 lone 2 100 - 2 - HB3 HIS 10 - H PHE 106 lone 1 89 - 1 - Peak 7237 from nnoeabs.peaks (1.12, 7.70, 117.43 ppm; 2.85 A): 2 out of 2 assignments used, quality = 0.81: * QB ALA 105 + H PHE 106 OK 78 100 - 78 - 3.7=45, 2.9/7235=16...(14) HD2 LYS 123 + H PHE 106 OK 13 100 - 13 - 3410/3.6=5, 7229/4.6=2...(6) Peak 7238 from nnoeabs.peaks (3.96, 7.70, 117.43 ppm; 3.12 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 106 + H PHE 106 OK 100 100 - 100 - 3.0=100 HB3 SER 103 - H PHE 106 OK 44 99 - 45 - 10145/4.0=9, 1.8/10217=8...(12) HA LYS 48 - H PHE 106 OK 13 98 - 13 - 7251/3.5=3, 3431/4.0=1...(6) HA3 GLY 94 - H PHE 106 lone 5 100 - 5 - 9214/3.7=1 HA ALA 60 - H PHE 106 lone 5 100 - 5 - HA3 GLY 143 - H PHE 106 lone 2 68 - 2 - Peak 7239 from nnoeabs.peaks (2.95, 7.70, 117.43 ppm; 2.97 A): 3 out of 9 assignments used, quality = 0.81: * HB2 PHE 106 + H PHE 106 OK 74 100 - 74 - 4.0=40, 1.8/3438=21...(10) HE2 LYS 48 + H PHE 106 OK 15 100 - 15 - 3421/3.0=2, 7252/3.5=2...(5) HE3 LYS 48 + H PHE 106 OK 14 98 - 15 - 3421/3.0=2, 7252/3.5=2...(6) HE2 LYS 85 - H PHE 106 lone 7 100 - 7 - 3421/3.0=1 HE3 LYS 85 - H PHE 106 lone 7 92 - 7 - 3421/3.0=1 HE2 LYS 93 - H PHE 106 lone 5 100 - 5 - HB3 PHE 67 - H PHE 106 lone 5 100 - 5 - 3421/3.0=1 HE3 LYS 93 - H PHE 106 lone 4 77 - 5 - HB2 TYR 115 - H PHE 106 lone 3 100 - 3 - Peak 7240 from nnoeabs.peaks (3.12, 7.70, 117.43 ppm; 2.85 A): 5 out of 8 assignments used, quality = 0.90: * HB3 PHE 106 + H PHE 106 OK 69 100 - 69 - 4.0=35, 1.8/3430=19...(10) HA ALA 105 + H PHE 106 OK 54 68 - 80 - 3.6=51, 2.1/7237=25...(14) HD3 ARG 145 + H PHE 106 OK 11 96 - 11 - 3422/3.0=2, 3433/4.0=2...(4) HD2 ARG 145 + H PHE 106 OK 11 94 - 11 - 3422/3.0=2, 3433/4.0=2...(5) HD2 ARG 109 + H PHE 106 OK 10 85 - 12 - 3422/3.0=3, ~11591=2...(6) HA LEU 79 - H PHE 106 lone 8 100 - 8 - 3.7/9226=3 HA VAL 80 - H PHE 106 lone 6 77 - 8 - 3.2/9225=2, 3422/3.0=1 HB3 ASN 96 - H PHE 106 lone 1 77 - 2 - Peak 7241 from nnoeabs.peaks (7.14, 7.70, 117.43 ppm; 4.05 A): 2 out of 2 assignments used, quality = 0.96: * QD PHE 106 + H PHE 106 OK 94 99 - 95 - 4.5=73, 2.5/3438=30...(15) QD TYR 117 + H PHE 106 OK 38 99 - 39 - 3423/3.0=9, 3442/4.0=8...(8) Peak 7244 from nnoeabs.peaks (8.15, 7.70, 117.43 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.88: * H THR 107 + H PHE 106 OK 85 100 - 85 - 3.5=67, 3437/4.0=11...(11) H SER 138 + H PHE 106 OK 17 94 - 18 - 10211/3.7=3, 7231/4.6=3...(7) H HIS 14 - H PHE 106 lone 3 77 - 4 - 3.6/9216=1 Peak 7246 from nnoeabs.peaks (8.15, 8.15, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 107 + H THR 107 OK 100 100 - 100 Peak 7247 from nnoeabs.peaks (3.84, 8.15, 118.33 ppm; 3.96 A): 6 out of 7 assignments used, quality = 0.91: * HA ALA 104 + H THR 107 OK 66 100 - 66 - 3.6/7248=20, 3402=16...(12) HB2 SER 100 + H THR 107 OK 37 89 - 41 - ~10473=11, 3453/4.1=6...(10) HA GLN 133 + H THR 107 OK 31 94 - 33 - 3.6/7250=6, 4.9/10448=6...(11) HA LEU 72 + H THR 107 OK 16 89 - 19 - 7263/3.2=3, 3.8/9237=3...(7) HA MET 68 + H THR 107 OK 15 100 - 15 - 3402=3, 8078/8080=3...(5) HD2 PRO 118 + H THR 107 OK 14 81 - 17 - 4.6/7254=6, 4.8/9406=4...(5) HB2 SER 127 - H THR 107 lone 9 100 - 9 - 7234/3.5=2, 3453/4.1=1 Peak 7248 from nnoeabs.peaks (8.25, 8.15, 118.33 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.84: * H ALA 105 + H THR 107 OK 84 100 - 84 - 7231=36, 7235/3.5=28...(12) H THR 102 - H THR 107 lone 8 81 - 10 - 7235/3.5=3, 3415/10211=1...(5) H ASP 32 - H THR 107 lone 7 96 - 7 - 8082/8080=2, 7235/3.5=2 H GLY 143 - H THR 107 lone 2 68 - 3 - Peak 7249 from nnoeabs.peaks (3.11, 8.15, 118.33 ppm; 3.80 A): 5 out of 8 assignments used, quality = 0.94: * HA ALA 105 + H THR 107 OK 77 100 - 77 - 3.6/7244=24, 2.9/7248=22...(15) HB3 PHE 106 + H THR 107 OK 60 68 - 89 - 4.6=56, 1.8/3437=29...(12) HD2 ARG 109 + H THR 107 OK 17 99 - 17 - 5.7/7282=5, 3422/3.6=3...(7) HD2 ARG 145 + H THR 107 OK 11 94 - 12 - 3422/3.6=2, 3433/4.6=2...(5) HD3 ARG 145 + H THR 107 OK 11 92 - 12 - 3422/3.6=2, 3433/4.6=2...(5) HB3 ASN 96 - H THR 107 lone 4 100 - 4 - HA LEU 79 - H THR 107 lone 3 62 - 5 - 3.0/9239=1 HB3 HIS 10 - H THR 107 lone 1 89 - 2 - Peak 7250 from nnoeabs.peaks (7.70, 8.15, 118.33 ppm; 3.26 A): 3 out of 3 assignments used, quality = 0.95: * H PHE 106 + H THR 107 OK 92 100 - 92 - 3.5=81, 4.0/3437=12...(12) H ALA 134 + H THR 107 OK 24 99 - 24 - 2.8/10448=6, 3419/3.6=3...(9) H GLU 28 + H THR 107 OK 12 100 - 11 - 10853/8080=3, 3419/3.6=2...(4) Peak 7251 from nnoeabs.peaks (3.96, 8.15, 118.33 ppm; 3.79 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 106 + H THR 107 OK 100 100 - 100 - 3.6=100 HB3 SER 103 + H THR 107 OK 48 99 - 49 - 10145/4.6=12...(12) HA LYS 48 - H THR 107 OK 30 98 - 31 - 1137/3.2=8, 3.0/7260=7...(12) HA ALA 60 - H THR 107 lone 9 100 - 9 - 8316/4.0=3 HA3 GLY 94 - H THR 107 lone 8 100 - 8 - HA3 GLY 143 - H THR 107 lone 2 68 - 3 - Peak 7252 from nnoeabs.peaks (2.95, 8.15, 118.33 ppm; 3.63 A): 3 out of 9 assignments used, quality = 0.91: * HB2 PHE 106 + H THR 107 OK 86 100 - 86 - 4.6=49, 1.8/3445=25...(12) HE2 LYS 48 + H THR 107 OK 20 100 - 20 - 7239/3.5=3, 3421/3.6=3...(10) HE3 LYS 48 + H THR 107 OK 19 98 - 20 - 3.6/9239=3, 3421/3.6=3...(10) HE2 LYS 85 - H THR 107 lone 7 100 - 7 - 3421/3.6=2, 7239/3.5=2 HB3 PHE 67 - H THR 107 lone 6 100 - 6 - 3421/3.6=1, 5640/5.0=1...(4) HE2 LYS 93 - H THR 107 lone 6 100 - 6 - 7239/3.5=1, 3421/3.6=1 HE3 LYS 85 - H THR 107 lone 6 92 - 6 - 3421/3.6=2, 7239/3.5=1 HB2 TYR 115 - H THR 107 lone 6 100 - 6 - 3843/8080=1 HE3 LYS 93 - H THR 107 lone 4 77 - 5 - Peak 7253 from nnoeabs.peaks (3.12, 8.15, 118.33 ppm; 3.61 A): 2 out of 8 assignments used, quality = 0.93: * HB3 PHE 106 + H THR 107 OK 86 100 - 86 - 4.6=49, 1.8/3437=26...(13) HA ALA 105 + H THR 107 OK 48 68 - 71 - 3.6/7244=22, 2.9/7248=20...(12) HD2 ARG 109 - H THR 107 OK 14 85 - 16 - 5.7/7282=5, 3422/3.6=4...(5) HD3 ARG 145 - H THR 107 OK 13 96 - 13 - 3422/3.6=3, 3433/4.6=3...(4) HD2 ARG 145 - H THR 107 OK 12 94 - 13 - 3422/3.6=3, 3433/4.6=3...(4) HA VAL 80 - H THR 107 poor 9 77 - 12 - ~9961=2, ~9225=2...(6) HA LEU 79 - H THR 107 lone 6 100 - 6 - 7240/3.5=1, 3.0/9239=1 HB3 ASN 96 - H THR 107 lone 2 77 - 2 - Peak 7254 from nnoeabs.peaks (7.14, 8.15, 118.33 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.98: * QD PHE 106 + H THR 107 OK 97 99 - 98 - 5.0=79, 2.5/3437=34...(14) QD TYR 117 + H THR 107 OK 49 99 - 49 - 7241/3.5=10, 3423/3.6=9...(9) Peak 7257 from nnoeabs.peaks (3.71, 8.15, 118.33 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 107 + H THR 107 OK 100 100 - 100 - 3.0=100 HA ILE 136 - H THR 107 OK 41 99 - 42 - 2.9/7753=6, 3.6/7769=6...(17) HA LEU 108 - H THR 107 OK 28 85 - 33 - 3.8/9237=6, 3.6/7282=6...(8) HA ILE 91 - H THR 107 OK 17 85 - 20 - 3455/4.1=3, 7268/3.2=2...(10) HB THR 74 - H THR 107 lone 9 99 - 9 - 7268/3.2=2, 3460/4.0=1 Peak 7258 from nnoeabs.peaks (4.02, 8.15, 118.33 ppm; 3.19 A): 5 out of 7 assignments used, quality = 0.93: * HB THR 107 + H THR 107 OK 77 100 - 77 - 4.1=48, 2.1/7259=18...(12) HB2 SER 103 + H THR 107 OK 36 98 - 37 - 10147/4.6=8, 1.8/7251=6...(9) HB3 SER 100 + H THR 107 OK 23 98 - 24 - 10473/3.0=11, 1.8/7247=5...(6) HA LYS 123 + H THR 107 OK 22 100 - 22 - 4101/4.0=4, 3448/3.0=4...(9) HA VAL 63 + H THR 107 OK 18 89 - 20 - 10352/3.0=3, 10170/4.6=3...(9) HA GLU 81 - H THR 107 lone 9 98 - 9 - 10219/4.6=2, 10217/3.5=1 HA GLU 37 - H THR 107 lone 5 99 - 5 - Peak 7259 from nnoeabs.peaks (1.22, 8.15, 118.33 ppm; 3.52 A): 3 out of 4 assignments used, quality = 0.91: * QG2 THR 107 + H THR 107 OK 84 100 - 84 - 4.0=66, 2.1/3454=26...(7) HD3 LYS 123 + H THR 107 OK 30 100 - 30 - 3449/3.0=8, 1.8/10222=8...(7) HG12 ILE 101 + H THR 107 OK 14 81 - 17 - 3449/3.0=4, 3457/4.1=3...(7) HB3 LEU 87 - H THR 107 lone 5 72 - 6 - ~9226=2 Peak 7260 from nnoeabs.peaks (8.51, 8.15, 118.33 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 108 + H THR 107 OK 100 100 - 100 - 3.2=100 H LYS 48 - H THR 107 OK 32 100 - 32 - 3450/3.0=6, 3458/4.1=5...(8) Peak 7262 from nnoeabs.peaks (8.51, 8.51, 120.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 108 + H LEU 108 OK 100 100 - 100 Peak 7263 from nnoeabs.peaks (3.84, 8.51, 120.86 ppm; 4.97 A): 5 out of 7 assignments used, quality = 0.88: * HA ALA 104 + H LEU 108 OK 60 100 - 60 - 3402/3.2=18, 3403/4.7=13...(8) HB2 SER 100 + H LEU 108 OK 30 89 - 34 - 3453/4.7=9, 11044/4.4=8...(7) HA LEU 72 + H LEU 108 OK 30 89 - 34 - 2106/3.6=6, 2150/4.4=6...(10) HA GLN 133 + H LEU 108 OK 28 94 - 30 - 7247/3.2=7, 9615/3.6=6...(7) HA MET 68 + H LEU 108 OK 13 100 - 13 - 7247/3.2=3, 8437/4.4=2...(4) HD2 PRO 118 - H LEU 108 poor 8 81 - 10 - 7247/3.2=3, 3453/4.7=3 HB2 SER 127 - H LEU 108 lone 6 100 - 6 - 7247/3.2=2, 3453/4.7=1 Peak 7266 from nnoeabs.peaks (3.96, 8.51, 120.86 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.98: * HA PHE 106 + H LEU 108 OK 93 100 - 93 - ~7244=34, ~3437=30...(12) HA LYS 48 + H LEU 108 OK 72 98 - 73 - 3.8/1172=14, 1137=13...(15) HB3 SER 103 - H LEU 108 OK 32 99 - 33 - 7251/3.2=12, ~7258=9...(6) HA3 GLY 94 - H LEU 108 OK 26 100 - 26 - 7281/4.6=7, 9056/4.4=5...(6) HA ALA 60 - H LEU 108 OK 22 100 - 22 - 8316/4.4=7, 7281/4.6=6...(5) HA3 GLY 143 - H LEU 108 lone 6 68 - 9 - 7281/4.6=1, 9258/4.4=1 Peak 7267 from nnoeabs.peaks (8.15, 8.51, 120.86 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * H THR 107 + H LEU 108 OK 100 100 - 100 - 3.2=100 H SER 138 - H LEU 108 OK 27 94 - 29 - 3446/3.6=9, 3454/4.7=5...(7) H HIS 14 - H LEU 108 lone 2 77 - 3 - Peak 7268 from nnoeabs.peaks (3.71, 8.51, 120.86 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 107 + H LEU 108 OK 100 100 - 100 - 3.6=100 HA LEU 108 + H LEU 108 OK 85 85 - 100 - 2.8=100 HA ILE 136 - H LEU 108 OK 38 99 - 39 - 7257/3.2=7, 3460/4.4=6...(14) HA ILE 91 - H LEU 108 OK 30 85 - 35 - 3.2/7272=6, 2948/3.6=5...(10) HB THR 74 - H LEU 108 OK 24 99 - 24 - 3477/3.6=3, 7283/4.6=3...(11) Peak 7269 from nnoeabs.peaks (4.02, 8.51, 120.86 ppm; 4.14 A): 2 out of 7 assignments used, quality = 0.94: * HB THR 107 + H LEU 108 OK 91 100 - 91 - 4.7=70, 3454/3.2=27...(11) HB3 SER 100 + H LEU 108 OK 32 98 - 32 - 10473/3.6=16, 1.8/7263=5...(6) HA VAL 63 - H LEU 108 OK 28 89 - 32 - 3.2/7272=5, 10352/3.6=4...(12) HA LYS 123 - H LEU 108 OK 22 100 - 22 - 4101/4.4=7, 3448/3.6=6...(4) HB2 SER 103 - H LEU 108 OK 18 98 - 18 - 7258/3.2=7, ~7251=5...(5) HA GLU 81 - H LEU 108 OK 12 98 - 12 - 2.9/7277=3, 2431/4.6=3...(6) HA GLU 37 - H LEU 108 lone 6 99 - 6 - 3448/3.6=1, 3461/4.4=1 Peak 7270 from nnoeabs.peaks (1.22, 8.51, 120.86 ppm; 3.96 A): 2 out of 4 assignments used, quality = 0.95: * QG2 THR 107 + H LEU 108 OK 92 100 - 92 - 4.4=71, 2.1/3458=26...(12) HD3 LYS 123 + H LEU 108 OK 28 100 - 28 - 3449/3.6=9, 7259/3.2=7...(5) HG12 ILE 101 - H LEU 108 OK 12 81 - 15 - 3449/3.6=4, 3457/4.7=3...(4) HB3 LEU 87 - H LEU 108 lone 6 72 - 8 - 1.8/7274=2, 7259/3.2=1 Peak 7271 from nnoeabs.peaks (3.72, 8.51, 120.86 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 108 + H LEU 108 OK 100 100 - 100 - 2.8=100 HA THR 107 + H LEU 108 OK 85 85 - 100 - 3.6=100 HB THR 74 - H LEU 108 OK 23 96 - 24 - 3477/3.6=4, 3486/3.6=3...(11) HA ILE 136 - H LEU 108 OK 23 68 - 34 - 7257/3.2=5, 3460/4.4=5...(13) Peak 7272 from nnoeabs.peaks (0.93, 8.51, 120.86 ppm; 4.34 A): 4 out of 5 assignments used, quality = 1.00: * HB2 LEU 108 + H LEU 108 OK 100 100 - 100 - 3.6=100 QG2 VAL 63 + H LEU 108 OK 47 100 - 47 - 3466/2.8=7, 3487/3.6=6...(16) QG2 ILE 91 + H LEU 108 OK 47 100 - 47 - 8970/4.8=11, 8970/4.4=10...(9) HB2 LEU 64 + H LEU 108 OK 46 85 - 54 - ~10222=8, ~11018=8...(14) QD2 LEU 29 - H LEU 108 poor 10 68 - 14 - 3466/2.8=3, 3487/3.6=3...(6) Peak 7273 from nnoeabs.peaks (1.19, 8.51, 120.86 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 108 + H LEU 108 OK 100 100 - 100 - 3.6=100 QD1 LEU 26 - H LEU 108 OK 30 94 - 32 - 10906/3.6=9, 3467/2.8=7...(6) HG13 ILE 56 - H LEU 108 OK 25 68 - 36 - ~10223=9, 3467/2.8=5...(11) HG12 ILE 56 - H LEU 108 OK 22 62 - 35 - ~10223=9, 3467/2.8=5...(11) Peak 7274 from nnoeabs.peaks (1.61, 8.51, 120.86 ppm; 4.01 A): 3 out of 13 assignments used, quality = 0.99: * HG LEU 108 + H LEU 108 OK 95 100 - 95 - 5.1=50, 2.1/7275=37...(18) HG3 LYS 48 + H LEU 108 OK 51 96 - 53 - 1183=12, 1.8/1172=11...(17) HB3 LEU 64 + H LEU 108 OK 46 89 - 51 - ~10222=7, ~11018=7...(17) HG3 ARG 49 - H LEU 108 OK 32 94 - 34 - 3493=6, 3494/2.8=5...(11) HB2 LEU 97 - H LEU 108 OK 21 100 - 21 - ~11018=4, 3468/2.8=2...(9) HG2 ARG 144 - H LEU 108 OK 14 98 - 14 - 3480/3.6=2, 3489/3.6=2...(5) HB2 LEU 87 - H LEU 108 OK 14 92 - 15 - 1.8/7270=2, 9252/4.4=2...(7) HG3 ARG 144 - H LEU 108 OK 13 89 - 14 - 3480/3.6=2, 3489/3.6=2...(6) HB2 LEU 79 - H LEU 108 OK 11 77 - 15 - 7288/4.6=2, ~11017=2...(8) HG2 ARG 141 - H LEU 108 lone 9 100 - 9 - HG3 LYS 36 - H LEU 108 lone 6 68 - 9 - 1183=1 HD2 LYS 61 - H LEU 108 lone 6 68 - 8 - 7288/4.6=1 HD3 LYS 61 - H LEU 108 lone 6 68 - 8 - 7288/4.6=1 Peak 7275 from nnoeabs.peaks (0.73, 8.51, 120.86 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.96: * QD2 LEU 108 + H LEU 108 OK 96 100 - 96 - 4.8=51, 3469/2.8=38...(21) Peak 7276 from nnoeabs.peaks (0.75, 8.51, 120.86 ppm; 3.83 A): 1 out of 5 assignments used, quality = 0.97: * QD1 LEU 108 + H LEU 108 OK 97 100 - 97 - 4.4=68, 2.1/3501=23...(19) QD1 LEU 72 - H LEU 108 OK 32 81 - 40 - 3510/2.8=10, 3491/3.6=5...(12) QD1 ILE 136 - H LEU 108 OK 29 85 - 34 - 9237/3.2=5, 4636/3.6=5...(13) QG2 VAL 73 - H LEU 108 OK 27 89 - 31 - ~10220=7, 3470/2.8=5...(10) QD2 LEU 72 - H LEU 108 OK 26 62 - 41 - ~3510=6, 3470/2.8=5...(15) Peak 7277 from nnoeabs.peaks (7.34, 8.51, 120.86 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.97: * H ARG 109 + H LEU 108 OK 97 100 - 97 - 4.6=86, 7289/4.8=25...(11) QD PHE 43 - H LEU 108 OK 21 96 - 22 - 3471/2.8=6, 3492/3.6=4...(6) H GLU 81 - H LEU 108 OK 14 68 - 21 - 10225/4.8=4, 9915/4.4=4...(6) Peak 7279 from nnoeabs.peaks (7.34, 7.34, 118.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 109 + H ARG 109 OK 100 100 - 100 Peak 7280 from nnoeabs.peaks (3.11, 7.34, 118.51 ppm; 4.11 A): 4 out of 8 assignments used, quality = 0.98: HD2 ARG 109 + H ARG 109 OK 82 99 - 83 - 5.7=38, 3.6/3530=20...(16) * HA ALA 105 + H ARG 109 OK 61 100 - 61 - 3414/4.4=16...(15) HD2 ARG 145 + H ARG 109 OK 52 94 - 55 - 3564/4.3=7, 3568/2.9=6...(20) HD3 ARG 145 + H ARG 109 OK 50 92 - 55 - 3564/4.3=7, 3546/4.0=6...(20) HB3 PHE 106 - H ARG 109 OK 30 68 - 45 - 3.0/3427=17...(11) HA LEU 79 - H ARG 109 OK 20 62 - 32 - 4.0/9934=6, 3.0/7288=4...(16) HB3 ASN 96 - H ARG 109 lone 8 100 - 8 - 10399/4.4=1 HB3 HIS 10 - H ARG 109 lone 2 89 - 2 - Peak 7281 from nnoeabs.peaks (3.96, 7.34, 118.51 ppm; 4.28 A): 5 out of 6 assignments used, quality = 0.90: * HA PHE 106 + H ARG 109 OK 69 100 - 70 - 3427=26, 3539/4.0=11...(16) HA LYS 48 + H ARG 109 OK 33 98 - 34 - 3.0/7284=10, 1137/4.6=6...(9) HA3 GLY 94 + H ARG 109 OK 26 100 - 26 - 3539/4.0=4, 3.0/7298=4...(10) HA ALA 60 + H ARG 109 OK 21 100 - 21 - 4.8/7291=5, 3539/4.0=4...(7) HB3 SER 103 + H ARG 109 OK 13 99 - 14 - 3539/4.0=2, 11591/4.3=2...(8) HA3 GLY 143 - H ARG 109 lone 5 68 - 8 - ~9276=3, 3539/4.0=2, 3529/4.0=1 Peak 7282 from nnoeabs.peaks (8.15, 7.34, 118.51 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.81: * H THR 107 + H ARG 109 OK 76 100 - 76 - 3.2/7277=36, 3.6/3427=31...(11) H SER 138 + H ARG 109 OK 21 94 - 22 - 7267/4.6=9...(5) H HIS 14 - H ARG 109 lone 4 77 - 5 - Peak 7283 from nnoeabs.peaks (3.71, 7.34, 118.51 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.93: HA LEU 108 + H ARG 109 OK 85 85 - 100 - 3.6=100 * HA THR 107 + H ARG 109 OK 53 100 - 53 - 3.6/7284=20, 3451/4.6=12...(10) HB THR 74 - H ARG 109 OK 27 99 - 27 - 3.0/8559=5, ~9271=4...(10) HA ILE 136 - H ARG 109 OK 19 99 - 19 - 4.2/7290=3, 10748/5.7=3...(6) HA ILE 91 - H ARG 109 OK 17 85 - 20 - 3.2/7286=5, 2948/4.4=3...(7) Peak 7284 from nnoeabs.peaks (8.51, 7.34, 118.51 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.85: * H LEU 108 + H ARG 109 OK 79 100 - 79 - 4.6=46, 4.8/7289=16...(9) H LYS 48 + H ARG 109 OK 31 100 - 31 - 3464/3.6=7, 3476/4.4=5...(10) Peak 7285 from nnoeabs.peaks (3.72, 7.34, 118.51 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 108 + H ARG 109 OK 100 100 - 100 - 3.6=100 HA THR 107 - H ARG 109 OK 44 85 - 52 - 3.6/7284=20, 4.8/3427=10...(10) HB THR 74 - H ARG 109 OK 27 96 - 28 - 3.0/8559=5, ~9271=4...(12) HA ILE 136 - H ARG 109 OK 11 68 - 16 - 4.2/7290=3, 10748/5.7=2...(7) Peak 7286 from nnoeabs.peaks (0.93, 7.34, 118.51 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.93: * HB2 LEU 108 + H ARG 109 OK 90 100 - 90 - 4.4=64, 3.2/7289=28...(9) QG2 ILE 91 + H ARG 109 OK 32 100 - 32 - 8970/7289=6...(9) QG2 VAL 63 - H ARG 109 OK 24 100 - 24 - 3466/3.6=4, 3487/4.4=4...(10) HB2 LEU 64 - H ARG 109 OK 23 85 - 27 - 3466/3.6=5, 3487/4.4=4...(8) QD2 LEU 29 - H ARG 109 poor 8 68 - 11 - 3466/3.6=2, 3487/4.4=2...(4) Peak 7287 from nnoeabs.peaks (1.19, 7.34, 118.51 ppm; 3.55 A): 3 out of 4 assignments used, quality = 0.89: * HB3 LEU 108 + H ARG 109 OK 84 100 - 84 - 4.4=53, 3.2/7289=25...(11) QD1 LEU 26 + H ARG 109 OK 23 94 - 24 - 10906/4.4=6, 3467/3.6=5...(8) HG13 ILE 56 + H ARG 109 OK 11 68 - 16 - 3467/3.6=3, 3479/4.4=3...(5) HG12 ILE 56 - H ARG 109 poor 9 62 - 15 - 3467/3.6=3, ~9272=3...(5) Peak 7288 from nnoeabs.peaks (1.61, 7.34, 118.51 ppm; 3.52 A): 7 out of 13 assignments used, quality = 0.92: * HG LEU 108 + H ARG 109 OK 71 100 - 71 - 2.1/7289=31, 3.0/7287=18...(7) HB2 LEU 79 + H ARG 109 OK 24 77 - 31 - 3.1/9934=6, ~8728=5...(10) HB3 LEU 64 + H ARG 109 OK 20 89 - 23 - 1.8/7286=4, 3468/3.6=3...(8) HG3 ARG 49 + H ARG 109 OK 20 94 - 22 - 3500=3, 3494/3.6=3...(10) HG3 LYS 48 + H ARG 109 OK 17 96 - 18 - 4.9/7284=4, 1183/4.6=4...(5) HD2 LYS 61 + H ARG 109 OK 15 68 - 22 - 5.2/7291=3, ~1716=2...(11) HD3 LYS 61 + H ARG 109 OK 15 68 - 22 - 5.2/7291=3, ~1716=2...(11) HB2 LEU 87 - H ARG 109 poor 10 92 - 11 - 3.2/11402=3, 8880/9977=1 HG3 LYS 36 - H ARG 109 poor 9 68 - 13 - 2.9/7293=2, ~3519=1...(6) HG2 ARG 144 - H ARG 109 lone 8 98 - 8 - 3480/4.4=1, 3489/4.4=1 HB2 LEU 97 - H ARG 109 lone 8 100 - 8 - 3468/3.6=1, 3489/4.4=1 HG3 ARG 144 - H ARG 109 lone 7 89 - 8 - 3480/4.4=1, 3489/4.4=1 HG2 ARG 141 - H ARG 109 lone 4 100 - 4 - Peak 7289 from nnoeabs.peaks (0.73, 7.34, 118.51 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.78: * QD2 LEU 108 + H ARG 109 OK 78 100 - 78 - 3469/3.6=29, 3.2/7287=19...(16) Peak 7290 from nnoeabs.peaks (0.75, 7.34, 118.51 ppm; 3.52 A): 5 out of 5 assignments used, quality = 0.87: * QD1 LEU 108 + H ARG 109 OK 68 100 - 68 - 3.2/7287=17, 3510/3.6=16...(11) QG2 VAL 73 + H ARG 109 OK 26 89 - 29 - 2.1/9920=4, 9271/2.9=4...(10) QD1 LEU 72 + H ARG 109 OK 22 81 - 27 - 3510/3.6=7, 3491/4.4=4...(9) QD1 ILE 136 + H ARG 109 OK 21 85 - 24 - 9271/2.9=4, 9668/5.7=3...(9) QD2 LEU 72 + H ARG 109 OK 12 62 - 20 - 3470/3.6=4, 3491/4.4=3...(6) Peak 7291 from nnoeabs.peaks (3.61, 7.34, 118.51 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 109 + H ARG 109 OK 100 100 - 100 - 2.9=100 HA LYS 61 - H ARG 109 OK 30 96 - 31 - 3541/4.0=5, 3531/4.0=5...(13) HA2 GLY 31 - H ARG 109 OK 10 72 - 14 - 3541/4.0=2, 3531/4.0=2...(7) Peak 7292 from nnoeabs.peaks (1.38, 7.34, 118.51 ppm; 3.37 A): 6 out of 7 assignments used, quality = 0.93: * HB2 ARG 109 + H ARG 109 OK 82 100 - 82 - 4.0=61, 1.8/3540=19...(11) HB VAL 82 + H ARG 109 OK 26 89 - 29 - 2.1/9977=7, 2.1/9974=5...(11) HB2 LEU 69 + H ARG 109 OK 20 100 - 20 - 3519/2.9=4, ~10176=3...(7) HB3 LEU 39 + H ARG 109 OK 14 99 - 14 - ~9272=3, 3519/2.9=3...(6) HG2 ARG 49 + H ARG 109 OK 12 96 - 12 - 1.8/7288=3, 3519/2.9=2...(5) HG LEU 132 + H ARG 109 OK 12 100 - 12 - 3519/2.9=2, 3542/4.0=1 HG2 LYS 86 - H ARG 109 lone 7 85 - 8 - 3519/2.9=2, 3542/4.0=2 Peak 7293 from nnoeabs.peaks (1.72, 7.34, 118.51 ppm; 3.40 A): 5 out of 6 assignments used, quality = 0.94: * HB3 ARG 109 + H ARG 109 OK 83 100 - 83 - 4.0=63, 1.8/3530=22...(11) HG LEU 66 + H ARG 109 OK 38 100 - 38 - ~9272=6, 2.1/11523=6...(14) HB3 GLU 81 + H ARG 109 OK 21 98 - 21 - 2448=3, 3520/2.9=2...(10) HD2 LYS 36 + H ARG 109 OK 15 85 - 17 - 3533/4.0=3, 3561/4.3=3...(6) HG3 ARG 89 + H ARG 109 OK 14 100 - 15 - 3520/2.9=3, 3533/4.0=3...(6) HB3 ARG 144 - H ARG 109 lone 6 92 - 6 - Peak 7294 from nnoeabs.peaks (1.56, 7.34, 118.51 ppm; 3.46 A): 4 out of 9 assignments used, quality = 0.95: * HG2 ARG 109 + H ARG 109 OK 78 100 - 78 - 4.3=51, 2.8/3530=18...(11) HG3 ARG 145 + H ARG 109 OK 43 99 - 43 - 3521/2.9=5, 3562/4.3=4...(20) HG2 ARG 145 + H ARG 109 OK 41 96 - 43 - 3521/2.9=5, 3562/4.3=4...(20) HB2 LEU 66 + H ARG 109 OK 28 92 - 30 - 2.9/7293=6, 3.1/11523=5...(11) HB3 LEU 79 - H ARG 109 OK 23 72 - 31 - 3.1/9934=5, ~8728=5...(11) HD2 LYS 85 - H ARG 109 OK 18 99 - 18 - 3521/2.9=2, 3544/4.0=2...(9) HG3 ARG 124 - H ARG 109 OK 12 68 - 18 - 3.0/7297=4, ~3524=2...(8) HD3 LYS 85 - H ARG 109 OK 11 77 - 15 - 3521/2.9=2, 3544/4.0=2...(6) HB2 LEU 126 - H ARG 109 OK 11 96 - 12 - ~9272=3, 3521/2.9=1...(5) Peak 7295 from nnoeabs.peaks (1.58, 7.34, 118.51 ppm; 3.46 A): 4 out of 11 assignments used, quality = 0.93: * HG3 ARG 109 + H ARG 109 OK 79 100 - 79 - 4.3=51, 2.8/3530=18...(13) HG2 ARG 145 + H ARG 109 OK 33 85 - 39 - 3.0/7280=4, 3.0/7296=4...(21) HG3 ARG 145 + H ARG 109 OK 29 77 - 38 - 3.0/7280=4, 3.0/7296=4...(21) HB2 LEU 66 + H ARG 109 OK 27 92 - 29 - 2.9/7293=6, 3.1/11523=5...(9) HG3 ARG 124 - H ARG 109 OK 21 100 - 21 - 3.0/7297=4, 4237/5.7=3...(9) HD3 LYS 85 - H ARG 109 OK 15 99 - 16 - 3522/2.9=2, 3545/4.0=2...(5) HD3 LYS 61 - H ARG 109 OK 13 62 - 22 - 5.2/7291=3, 1.8/7288=2...(11) HD2 LYS 61 - H ARG 109 OK 13 62 - 22 - 5.2/7291=3, 1.8/7288=2...(11) HD2 LYS 85 - H ARG 109 OK 10 77 - 14 - 3522/2.9=2, 3545/4.0=1...(7) HB2 LEU 126 - H ARG 109 poor 9 85 - 10 - ~9272=3 HG3 LYS 36 - H ARG 109 poor 8 62 - 13 - 2.9/7293=2, 3522/2.9=2...(7) Peak 7296 from nnoeabs.peaks (3.11, 7.34, 118.51 ppm; 4.11 A): 4 out of 8 assignments used, quality = 0.99: * HD2 ARG 109 + H ARG 109 OK 83 100 - 83 - 5.7=38, 3.6/3530=20...(16) HA ALA 105 + H ARG 109 OK 59 99 - 60 - 3414/4.4=16...(16) HD2 ARG 145 + H ARG 109 OK 55 100 - 55 - 3564/4.3=7, 3568/2.9=7...(20) HD3 ARG 145 + H ARG 109 OK 55 99 - 55 - 3564/4.3=7, 3568/2.9=6...(20) HB3 PHE 106 - H ARG 109 OK 39 85 - 45 - 3.0/3427=17...(11) HA LEU 79 - H ARG 109 OK 30 81 - 36 - 4.0/9934=6, 3.0/7288=4...(18) HB3 ASN 96 - H ARG 109 lone 8 100 - 8 - 10399/4.4=1 HB3 HIS 10 - H ARG 109 lone 1 72 - 2 - Peak 7297 from nnoeabs.peaks (3.30, 7.34, 118.51 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.95: * HD3 ARG 109 + H ARG 109 OK 89 100 - 89 - 5.7=48, 3.6/3530=23...(18) HB2 TRP 88 + H ARG 109 OK 53 100 - 53 - 5.3/10558=14, 6.5/9269=9...(12) HD2 ARG 124 - H ARG 109 OK 35 100 - 36 - 3565/4.3=7, 3524/2.9=7...(10) HB3 TRP 17 - H ARG 109 lone 3 77 - 3 - Peak 7298 from nnoeabs.peaks (7.82, 7.34, 118.51 ppm; 3.49 A): 4 out of 6 assignments used, quality = 0.84: * H THR 110 + H ARG 109 OK 77 100 - 77 - 4.6=44, 3.4/7299=18...(12) H GLY 94 + H ARG 109 OK 12 81 - 15 - 3.0/7281=3, 3525/2.9=2...(6) H LEU 26 + H ARG 109 OK 12 99 - 12 - 6084/4.4=3, 4.8/7287=3 H SER 44 + H ARG 109 OK 11 94 - 12 - 3.6/966=2, 3.3/6334=2...(7) H TYR 27 - H ARG 109 lone 8 100 - 8 - 6093/4.4=2 H TRP 17 - H ARG 109 lone 1 62 - 2 - Peak 7299 from nnoeabs.peaks (8.53, 7.34, 118.51 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.61: * H GLN 111 + H ARG 109 OK 56 100 - 57 - 3.4/7305=19, 3472/3.6=18...(7) H MET 46 + H ARG 109 OK 10 89 - 11 - 3472/3.6=4, 7316/4.6=3 H CYS 121 - H ARG 109 lone 2 68 - 3 - Peak 7300 from nnoeabs.peaks (7.82, 7.82, 114.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 110 + H THR 110 OK 100 100 - 100 Peak 7301 from nnoeabs.peaks (3.96, 7.82, 114.50 ppm; 5.28 A): 4 out of 6 assignments used, quality = 0.85: * HA PHE 106 + H THR 110 OK 61 100 - 61 - 4.8/3451=22, 3427/4.6=20...(7) HA LYS 48 + H THR 110 OK 32 98 - 32 - 3.0/7303=11, 7281/4.6=6...(7) HA3 GLY 94 + H THR 110 OK 28 100 - 28 - 3539/4.6=5, 7281/4.6=5...(10) HA ALA 60 + H THR 110 OK 22 100 - 23 - 4.8/7306=5, 3539/4.6=5...(5) HB3 SER 103 - H THR 110 poor 10 99 - 10 - 7281/4.6=3, 3539/4.6=2 HA3 GLY 143 - H THR 110 lone 4 68 - 6 - 3539/4.6=2, 3529/4.6=2 Peak 7302 from nnoeabs.peaks (3.71, 7.82, 114.50 ppm; 4.22 A): 4 out of 5 assignments used, quality = 0.93: * HA THR 107 + H THR 110 OK 78 100 - 78 - 3451=26, 3452/4.1=23...(10) HA LEU 108 + H THR 110 OK 59 85 - 69 - 2.8/7303=27...(7) HA ILE 136 + H THR 110 OK 15 99 - 15 - 10240/4.0=3, 3593/4.1=2...(6) HB THR 74 + H THR 110 OK 12 99 - 12 - 7283/4.6=3, 7319/3.4=3...(5) HA ILE 91 - H THR 110 lone 8 85 - 9 - 7283/4.6=2, 3.6/10094=1 Peak 7303 from nnoeabs.peaks (8.51, 7.82, 114.50 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.58: * H LEU 108 + H THR 110 OK 50 100 - 50 - 3.6/3451=14, 7284/4.6=14...(7) H LYS 48 + H THR 110 OK 16 100 - 16 - 7284/4.6=6, 3.0/7301=3...(5) Peak 7304 from nnoeabs.peaks (3.72, 7.82, 114.50 ppm; 4.13 A): 3 out of 4 assignments used, quality = 0.89: * HA LEU 108 + H THR 110 OK 70 100 - 70 - 2.8/7303=26...(7) HA THR 107 + H THR 110 OK 60 85 - 71 - 3.6/7303=22, 3451=19...(10) HB THR 74 + H THR 110 OK 13 96 - 13 - 7285/4.6=3, 7320/3.4=3...(5) HA ILE 136 - H THR 110 poor 8 68 - 12 - 10240/4.0=2, 3593/4.1=2...(5) Peak 7305 from nnoeabs.peaks (7.34, 7.82, 114.50 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.86: * H ARG 109 + H THR 110 OK 81 100 - 81 - 4.6=49, 7299/3.4=19...(12) QD PHE 43 + H THR 110 OK 27 96 - 28 - 9277/3.0=6, 3517/3.6=4...(11) H GLU 81 - H THR 110 poor 8 68 - 13 - 3517/3.6=3, 3530/4.6=2...(4) Peak 7306 from nnoeabs.peaks (3.61, 7.82, 114.50 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 109 + H THR 110 OK 100 100 - 100 - 3.6=100 HA LYS 61 - H THR 110 OK 24 96 - 25 - 3541/4.6=7, 3531/4.6=7...(4) HA2 GLY 31 - H THR 110 poor 9 72 - 12 - 3531/4.6=3, 3541/4.6=3...(4) Peak 7307 from nnoeabs.peaks (1.38, 7.82, 114.50 ppm; 4.02 A): 4 out of 7 assignments used, quality = 0.90: * HB2 ARG 109 + H THR 110 OK 84 100 - 84 - 4.6=65, 1.8/7308=21...(8) HB2 LEU 69 + H THR 110 OK 26 100 - 26 - 3519/3.6=4, 3542/4.6=3...(11) HG2 ARG 49 + H THR 110 OK 12 96 - 13 - ~10662=3, ~10663=3...(5) HB VAL 82 + H THR 110 OK 10 89 - 12 - 7292/4.6=3, 3519/3.6=3 HB3 LEU 39 - H THR 110 lone 10 99 - 10 - 3519/3.6=3, 3542/4.6=2...(4) HG LEU 132 - H THR 110 lone 7 100 - 7 - 3519/3.6=2, 7292/4.6=2 HG2 LYS 86 - H THR 110 lone 6 85 - 7 - 3519/3.6=2, 3542/4.6=2 Peak 7308 from nnoeabs.peaks (1.72, 7.82, 114.50 ppm; 3.81 A): 3 out of 6 assignments used, quality = 0.87: * HB3 ARG 109 + H THR 110 OK 77 100 - 77 - 4.6=55, 1.8/7307=19...(8) HG LEU 66 + H THR 110 OK 36 100 - 36 - 10452/4.0=5, 3520/3.6=5...(14) HB3 GLU 81 + H THR 110 OK 11 98 - 11 - 3520/3.6=2, 7293/4.6=2...(4) HG3 ARG 89 - H THR 110 lone 9 100 - 9 - 3520/3.6=3, 3533/4.6=3 HD2 LYS 36 - H THR 110 poor 9 85 - 10 - 3533/4.6=3, 3520/3.6=3 HB3 ARG 144 - H THR 110 lone 3 92 - 3 - Peak 7309 from nnoeabs.peaks (1.56, 7.82, 114.50 ppm; 4.14 A): 5 out of 9 assignments used, quality = 0.84: * HG2 ARG 109 + H THR 110 OK 56 100 - 56 - 2.8/7308=18, 4.3/7305=18...(8) HB2 LEU 66 + H THR 110 OK 30 92 - 33 - 2.9/7308=8, 3.0/7313=5...(11) HG3 ARG 145 + H THR 110 OK 23 99 - 23 - 3521/3.6=5, 3534/4.6=4...(8) HG2 ARG 145 + H THR 110 OK 22 96 - 23 - 3521/3.6=5, 3534/4.6=4...(8) HD2 LYS 85 + H THR 110 OK 13 99 - 13 - 3521/3.6=3, 3544/4.6=3...(4) HD3 LYS 85 - H THR 110 poor 8 77 - 10 - 3544/4.6=2, 3521/3.6=2...(4) HG3 ARG 124 - H THR 110 poor 7 68 - 11 - 3522/3.6=2, 3535/4.6=2...(5) HB2 LEU 126 - H THR 110 lone 7 96 - 7 - 3521/3.6=2, 3534/4.6=1...(4) HB3 LEU 79 - H THR 110 lone 6 72 - 9 - 3521/3.6=3, 7294/4.6=2...(4) Peak 7310 from nnoeabs.peaks (1.58, 7.82, 114.50 ppm; 4.14 A): 6 out of 11 assignments used, quality = 0.84: * HG3 ARG 109 + H THR 110 OK 57 100 - 57 - 2.8/7308=18, 4.3/7305=18...(10) HB2 LEU 66 + H THR 110 OK 30 92 - 33 - 2.9/7308=8, 3.0/7313=5...(11) HG2 ARG 145 + H THR 110 OK 17 85 - 20 - 3522/3.6=4, 7295/4.6=3...(8) HG3 ARG 145 + H THR 110 OK 15 77 - 19 - 3522/3.6=4, 3545/4.6=3...(8) HG3 ARG 124 + H THR 110 OK 12 100 - 12 - 3522/3.6=2, 3535/4.6=2...(5) HD3 LYS 85 + H THR 110 OK 12 99 - 12 - 3522/3.6=3, 3545/4.6=2...(5) HD2 LYS 85 - H THR 110 lone 7 77 - 10 - 3522/3.6=2, 3545/4.6=2...(4) HG3 LYS 36 - H THR 110 lone 6 62 - 10 - 3522/3.6=2, 2.9/7308=2...(4) HD3 LYS 61 - H THR 110 lone 5 62 - 8 - 5.2/7306=3, 1716/3.6=2 HD2 LYS 61 - H THR 110 lone 5 62 - 8 - 5.2/7306=3, 1716/3.6=2 HB2 LEU 126 - H THR 110 lone 5 85 - 6 - 3522/3.6=1 Peak 7313 from nnoeabs.peaks (3.81, 7.82, 114.50 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 110 + H THR 110 OK 100 100 - 100 - 3.0=100 HA LEU 66 - H THR 110 OK 20 81 - 24 - 3.7/7308=5, 3.0/7310=4...(9) HA3 GLY 50 - H THR 110 OK 12 92 - 13 - ~9805=4, ~1303=2...(6) Peak 7314 from nnoeabs.peaks (4.11, 7.82, 114.50 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.88: * HB THR 110 + H THR 110 OK 86 100 - 86 - 4.1=57, 2.1/7315=27...(11) HA PRO 52 + H THR 110 OK 16 89 - 18 - 3587/3.0=6, ~10642=4...(5) HD3 PRO 33 - H THR 110 lone 5 72 - 7 - 3587/3.0=2, 3601/4.0=2...(5) HA THR 99 - H THR 110 lone 5 99 - 5 - 3587/3.0=2, ~10160=1 Peak 7315 from nnoeabs.peaks (1.03, 7.82, 114.50 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.87: * QG2 THR 110 + H THR 110 OK 84 100 - 84 - 4.0=58, 3600/3.0=27...(8) HB2 LEU 116 + H THR 110 OK 21 98 - 22 - 3588/3.0=7, 3597/4.1=5...(6) Peak 7316 from nnoeabs.peaks (8.53, 7.82, 114.50 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + H THR 110 OK 100 100 - 100 - 3.4=100 H MET 46 - H THR 110 OK 19 89 - 21 - 3589/3.0=5, 3.0/6361=3...(7) H CYS 121 - H THR 110 lone 3 68 - 5 - Peak 7317 from nnoeabs.peaks (9.19, 7.82, 114.50 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.72: * H TYR 112 + H THR 110 OK 65 100 - 65 - 7354/3.6=32, 7356/3.0=21...(7) H ASP 65 + H THR 110 OK 21 100 - 21 - 3526/3.6=8, 7334/3.4=6...(4) Peak 7318 from nnoeabs.peaks (8.53, 8.53, 119.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 111 + H GLN 111 OK 100 100 - 100 Peak 7319 from nnoeabs.peaks (3.71, 8.53, 119.53 ppm; 6.21 A): 2 out of 5 assignments used, quality = 0.97: * HA THR 107 + H GLN 111 OK 85 100 - 85 - 3452/4.6=38, 9241/4.4=37...(9) HA LEU 108 + H GLN 111 OK 81 85 - 95 - 10177/4.4=40...(12) HB THR 74 - H GLN 111 OK 44 99 - 45 - ~9298=11, 7353/3.3=9...(11) HA ILE 136 - H GLN 111 OK 33 99 - 33 - 3626/3.9=5, 10240/4.4=4...(11) HA ILE 91 - H GLN 111 OK 10 85 - 12 - 8369/9849=2, 7302/3.4=2...(5) Peak 7320 from nnoeabs.peaks (3.72, 8.53, 119.53 ppm; 5.79 A): 2 out of 4 assignments used, quality = 0.98: * HA LEU 108 + H GLN 111 OK 95 100 - 95 - 3472=41, 3.6/7299=37...(12) HA THR 107 + H GLN 111 OK 64 85 - 75 - 3452/4.6=27, 9241/4.4=26...(9) HB THR 74 - H GLN 111 OK 43 96 - 45 - 7353/3.3=12, ~9298=10...(11) HA ILE 136 - H GLN 111 OK 20 68 - 30 - 3626/3.9=6, 10240/4.4=4...(11) Peak 7323 from nnoeabs.peaks (7.82, 8.53, 119.53 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * H THR 110 + H GLN 111 OK 100 100 - 100 - 3.4=100 H SER 44 - H GLN 111 OK 22 94 - 23 - 6355=5, 3585/3.6=4...(10) H GLY 94 - H GLN 111 poor 8 81 - 10 - ~7301=2, 3585/3.6=2...(5) H LEU 26 - H GLN 111 lone 8 99 - 8 - 3585/3.6=2...(4) H TYR 27 - H GLN 111 lone 7 100 - 7 - 3585/3.6=2, 3599/4.4=1 H TRP 17 - H GLN 111 lone 1 62 - 1 - Peak 7325 from nnoeabs.peaks (4.11, 8.53, 119.53 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 110 + H GLN 111 OK 100 100 - 100 - 4.6=100 HA PRO 52 - H GLN 111 OK 26 89 - 29 - 10457/3.6=10, 7314/3.4=6...(5) HD3 PRO 33 - H GLN 111 OK 15 72 - 21 - ~422=3, 3.8/7327=3...(8) HA THR 99 - H GLN 111 lone 8 99 - 8 - 3587/3.6=3, 7314/3.4=2 Peak 7326 from nnoeabs.peaks (1.03, 8.53, 119.53 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 110 + H GLN 111 OK 100 100 - 100 - 4.4=100 HB2 LEU 116 - H GLN 111 OK 43 98 - 44 - 3588/3.6=12, 3597/4.6=10...(8) Peak 7327 from nnoeabs.peaks (4.64, 8.53, 119.53 ppm; 5.35 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 111 + H GLN 111 OK 100 100 - 100 - 2.9=100 HG1 THR 110 + H GLN 111 OK 91 100 - 91 - 3.0/3603=38, 2.8/3598=37...(14) HA ASN 139 - H GLN 111 OK 39 94 - 41 - 10361/3.9=8, 9293/4.4=7...(14) HA LEU 87 - H GLN 111 OK 38 99 - 38 - 9293/4.4=9, 4.0/8907=6...(14) HA ASP 32 - H GLN 111 OK 35 100 - 34 - 9293/4.4=9, 11259/3.4=4...(14) Peak 7328 from nnoeabs.peaks (2.00, 8.53, 119.53 ppm; 5.05 A): 3 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + H GLN 111 OK 100 100 - 100 - 3.9=100 HG3 PRO 52 + H GLN 111 OK 57 99 - 57 - 3618/2.9=12, 3629/3.9=11...(12) QE MET 113 + H GLN 111 OK 56 98 - 58 - 9337/3.6=33, 9333/4.4=13...(12) HB VAL 63 - H GLN 111 OK 32 94 - 34 - ~11453=6, ~11454=5...(14) QE MET 11 - H GLN 111 OK 31 98 - 32 - 42/2.9=8, 10592/3472=6...(12) QE MET 59 - H GLN 111 OK 21 92 - 23 - 10403/3472=7, 7359/3.3=2...(10) HB2 GLU 142 - H GLN 111 OK 14 72 - 19 - ~10380=4, ~10507=3...(7) HB3 GLU 90 - H GLN 111 OK 12 92 - 13 - 9280/3.6=3, 3606/2.9=3...(7) HG3 GLU 122 - H GLN 111 lone 7 94 - 7 - 9280/3.6=1 HB3 GLU 37 - H GLN 111 lone 2 72 - 3 - Peak 7329 from nnoeabs.peaks (1.90, 8.53, 119.53 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + H GLN 111 OK 100 100 - 100 - 3.9=100 HB3 LEU 69 + H GLN 111 OK 74 94 - 79 - ~9919=29, ~9878=23...(14) HB3 ARG 140 + H GLN 111 OK 53 96 - 56 - ~10374=22, ~10370=11...(9) HB2 LYS 24 - H GLN 111 OK 38 100 - 38 - 11371/2.9=11, ~3615=5...(9) HB ILE 136 - H GLN 111 OK 33 68 - 48 - ~10756=9, ~3614=6...(14) HB3 LYS 93 - H GLN 111 OK 30 94 - 32 - 3607/2.9=3, ~3614=3...(15) HB3 ARG 89 - H GLN 111 OK 25 100 - 25 - 3607/2.9=5, 3639/4.7=3...(8) HB ILE 101 - H GLN 111 OK 20 100 - 20 - 3607/2.9=4, 3648/4.7=4...(7) QE MET 68 - H GLN 111 lone 8 89 - 9 - 3474/3472=1, 7360/3.3=1 HB3 ARG 141 - H GLN 111 lone 6 85 - 7 - 3607/2.9=1 Peak 7330 from nnoeabs.peaks (2.13, 8.53, 119.53 ppm; 4.86 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 111 + H GLN 111 OK 100 100 - 100 - 4.7=100 HB2 GLU 75 - H GLN 111 OK 26 92 - 28 - 9284/4.6=6, 3631/3.9=4...(8) HB VAL 73 - H GLN 111 OK 25 85 - 29 - 7361/3.3=7, 3631/3.9=5...(8) HG3 PRO 118 - H GLN 111 OK 16 92 - 17 - ~10374=3, 3631/3.9=3...(6) HG2 GLU 81 - H GLN 111 OK 11 81 - 14 - 3608/2.9=3, 7361/3.3=2...(6) HB2 GLN 133 - H GLN 111 lone 6 68 - 9 - 3608/2.9=2, 3631/3.9=1...(4) HB3 GLN 133 - H GLN 111 lone 6 62 - 9 - 3631/3.9=1, ~3608=1 Peak 7331 from nnoeabs.peaks (2.78, 8.53, 119.53 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 111 + H GLN 111 OK 100 100 - 100 - 4.7=100 HB2 ASP 41 - H GLN 111 OK 32 92 - 35 - 7362/3.3=8, 3609/2.9=7...(12) HB3 TYR 119 - H GLN 111 OK 31 100 - 31 - 7362/3.3=7, 3641/4.7=6...(7) HB3 ASN 84 - H GLN 111 OK 27 100 - 27 - 7362/3.3=6, 3609/2.9=5...(7) Peak 7334 from nnoeabs.peaks (9.19, 8.53, 119.53 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 112 + H GLN 111 OK 100 100 - 100 - 3.3=100 H ASP 65 - H GLN 111 OK 23 100 - 23 - 7317/3.4=7, ~1856=4...(7) Peak 7336 from nnoeabs.peaks (6.88, 6.88, 109.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 111 + HE21 GLN 111 OK 100 100 - 100 Peak 7343 from nnoeabs.peaks (6.65, 6.88, 109.69 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 111 + HE21 GLN 111 OK 100 100 - 100 - 1.7=100 Peak 7344 from nnoeabs.peaks (6.65, 6.65, 109.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 111 + HE22 GLN 111 OK 100 100 - 100 Peak 7345 from nnoeabs.peaks (8.53, 6.65, 109.69 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + HE22 GLN 111 OK 100 100 - 100 - 6.8=100 H MET 46 - HE22 GLN 111 OK 21 89 - 24 - 3636/3.5=6, 3645/3.5=6...(5) H CYS 121 - HE22 GLN 111 poor 7 68 - 10 - 3645/3.5=3, 3636/3.5=2 Peak 7346 from nnoeabs.peaks (4.64, 6.65, 109.69 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 111 + HE22 GLN 111 OK 100 100 - 100 - 5.9=100 HG1 THR 110 + HE22 GLN 111 OK 81 100 - 81 - 3.0/9294=46, ~10242=39...(8) HA ASN 139 - HE22 GLN 111 OK 30 94 - 32 - 10361/4.6=9, 3628/4.6=5...(7) HA LEU 87 - HE22 GLN 111 OK 24 99 - 25 - 9293/9294=6, 3637/3.5=4...(7) HA ASP 32 - HE22 GLN 111 OK 20 100 - 20 - 9293/9294=6, 7327/6.8=3...(6) Peak 7347 from nnoeabs.peaks (2.00, 6.65, 109.69 ppm; 6.80 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HE22 GLN 111 OK 100 100 - 100 - 4.6=100 HG3 PRO 52 + HE22 GLN 111 OK 50 99 - 50 - 3638/3.5=12, 3629/4.6=12...(7) QE MET 113 - HE22 GLN 111 OK 36 98 - 37 - 11045/11524=13...(9) HB VAL 63 - HE22 GLN 111 OK 32 94 - 34 - ~9835=7, ~9836=5...(9) QE MET 11 - HE22 GLN 111 OK 27 98 - 27 - 42/5.9=7, 3647/3.5=4...(9) QE MET 59 - HE22 GLN 111 OK 20 92 - 22 - 10567/11588=9...(7) HB3 GLU 90 - HE22 GLN 111 OK 12 92 - 13 - 3647/3.5=2, 3606/5.9=2...(5) HG3 GLU 122 - HE22 GLN 111 OK 10 94 - 11 - 9456/11588=3...(3) HB2 GLU 142 - HE22 GLN 111 poor 10 72 - 13 - 3629/4.6=2, 3606/5.9=2...(5) HB3 GLU 37 - HE22 GLN 111 lone 3 72 - 4 - Peak 7349 from nnoeabs.peaks (2.13, 6.65, 109.69 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 111 + HE22 GLN 111 OK 100 100 - 100 - 3.5=100 HB VAL 73 - HE22 GLN 111 OK 27 85 - 32 - 3649/3.5=8, 3631/4.6=8...(7) HB2 GLU 75 - HE22 GLN 111 OK 27 92 - 29 - 3649/3.5=7, 3631/4.6=6...(7) HG3 PRO 118 - HE22 GLN 111 OK 17 92 - 19 - 3649/3.5=4, 3631/4.6=4...(6) HG2 GLU 81 - HE22 GLN 111 OK 12 81 - 14 - 3608/5.9=4, 3649/3.5=3...(5) HB2 GLN 133 - HE22 GLN 111 poor 8 68 - 12 - 3649/3.5=2, 3631/4.6=2...(6) HB3 GLN 133 - HE22 GLN 111 poor 7 62 - 11 - 3649/3.5=2, 3631/4.6=2...(4) Peak 7350 from nnoeabs.peaks (2.78, 6.65, 109.69 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 111 + HE22 GLN 111 OK 100 100 - 100 - 3.5=100 HB3 TYR 119 - HE22 GLN 111 OK 30 100 - 30 - 3641/3.5=9, 3632/4.6=7...(6) HB3 ASN 84 - HE22 GLN 111 OK 27 100 - 27 - 3641/3.5=7, 3632/4.6=6...(6) HB2 ASP 41 - HE22 GLN 111 OK 25 92 - 27 - 3609/5.9=6, 3632/4.6=6...(5) Peak 7351 from nnoeabs.peaks (6.88, 6.65, 109.69 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 111 + HE22 GLN 111 OK 100 100 - 100 - 1.7=100 HE22 GLN 47 - HE22 GLN 111 lone 4 96 - 4 - 8180/4.6=2 HE21 GLN 25 - HE22 GLN 111 lone 2 92 - 2 - HZ PHE 23 - HE22 GLN 111 lone 1 98 - 1 - HD2 HIS 14 - HE22 GLN 111 lone 1 77 - 1 - HE21 GLN 22 - HE22 GLN 111 lone 0 62 - 1 - Peak 7352 from nnoeabs.peaks (9.19, 9.19, 121.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 112 + H TYR 112 OK 100 100 - 100 Peak 7353 from nnoeabs.peaks (3.72, 9.19, 121.48 ppm; 5.04 A): 4 out of 4 assignments used, quality = 0.95: * HA LEU 108 + H TYR 112 OK 81 100 - 81 - 3472/3.3=30, 4.9/7354=24...(11) HB THR 74 + H TYR 112 OK 52 96 - 54 - 2.1/9298=14, 3.0/7367=11...(14) HA THR 107 + H TYR 112 OK 28 85 - 32 - 3626/4.6=8, 7320/3.3=8...(8) HA ILE 136 + H TYR 112 OK 16 68 - 24 - 3.7/9297=6, 3626/4.6=4...(8) Peak 7354 from nnoeabs.peaks (3.61, 9.19, 121.48 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.77: * HA ARG 109 + H TYR 112 OK 77 100 - 77 - 3526=22, 10554/3.9=18...(13) HA LYS 61 - H TYR 112 lone 6 96 - 7 - 3672/4.0=2, 7373/3.9=2...(4) HA2 GLY 31 - H TYR 112 lone 4 72 - 5 - 4.9/7358=1, 7373/3.9=1 Peak 7356 from nnoeabs.peaks (3.81, 9.19, 121.48 ppm; 5.30 A): 3 out of 3 assignments used, quality = 0.93: * HA THR 110 + H TYR 112 OK 87 100 - 87 - 3590/3.9=37, 3.0/7317=27...(15) HA3 GLY 50 + H TYR 112 OK 26 92 - 29 - ~9805=11, 7374/3.9=8...(10) HA LEU 66 + H TYR 112 OK 24 81 - 29 - 7374/3.9=6, 9855/6.5=4...(12) Peak 7357 from nnoeabs.peaks (8.53, 9.19, 121.48 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 111 + H TYR 112 OK 100 100 - 100 - 3.3=100 H MET 46 - H TYR 112 OK 15 89 - 17 - 3604/3.6=3, 2.9/7365=3...(5) H CYS 121 - H TYR 112 lone 3 68 - 4 - 3604/3.6=1 Peak 7358 from nnoeabs.peaks (4.64, 9.19, 121.48 ppm; 4.76 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 111 + H TYR 112 OK 100 100 - 100 - 3.6=100 HG1 THR 110 + H TYR 112 OK 57 100 - 57 - 5.0/7317=16, ~3598=15...(8) HA ASN 139 - H TYR 112 OK 15 94 - 16 - 10361/4.6=6, 7327/3.3=3...(4) HA LEU 87 - H TYR 112 OK 14 99 - 14 - 7327/3.3=3, ~3661=2...(6) HA ASP 32 - H TYR 112 OK 11 100 - 11 - 7327/3.3=3, ~11594=2...(4) Peak 7359 from nnoeabs.peaks (2.00, 9.19, 121.48 ppm; 4.17 A): 3 out of 10 assignments used, quality = 0.96: * HB2 GLN 111 + H TYR 112 OK 85 100 - 85 - 4.6=73, 1.8/7360=14...(11) QE MET 113 + H TYR 112 OK 51 98 - 52 - 3722/3.9=27...(10) HG3 PRO 52 + H TYR 112 OK 42 99 - 43 - 2.3/7366=10, 3618/3.6=8...(11) HB VAL 63 - H TYR 112 OK 20 94 - 21 - 2.1/11453=8, 2.1/11454=4...(6) QE MET 11 - H TYR 112 OK 18 98 - 19 - 42/3.6=5, 10534/11693=3...(6) QE MET 59 - H TYR 112 OK 14 92 - 15 - 10403/7353=2...(6) HB3 GLU 90 - H TYR 112 lone 8 92 - 9 - 7388/3.9=4, 3606/3.6=2 HB2 GLU 142 - H TYR 112 lone 5 72 - 7 - 7388/3.9=2, 3606/3.6=1 HG3 GLU 122 - H TYR 112 lone 5 94 - 5 - 7388/3.9=1 HB3 GLU 37 - H TYR 112 lone 1 72 - 1 - Peak 7360 from nnoeabs.peaks (1.90, 9.19, 121.48 ppm; 4.39 A): 2 out of 10 assignments used, quality = 0.96: * HB3 GLN 111 + H TYR 112 OK 91 100 - 91 - 4.6=85, 1.8/7359=14...(6) HB3 LEU 69 + H TYR 112 OK 52 94 - 55 - 3.2/9878=19, 3.2/9875=12...(13) HB ILE 136 - H TYR 112 OK 20 68 - 30 - ~9301=6, 2.9/9297=5...(11) HB2 LYS 24 - H TYR 112 OK 14 100 - 14 - 11371/3.6=6, 10881/4.6=2...(4) HB3 ARG 89 - H TYR 112 OK 13 100 - 13 - 3.5/7366=3, 3607/3.6=3...(4) HB3 ARG 140 - H TYR 112 OK 11 96 - 11 - 3607/3.6=4, 3620/4.6=2 HB3 LYS 93 - H TYR 112 lone 9 94 - 10 - ~9300=3, 3607/3.6=2, 7329/3.3=1 HB ILE 101 - H TYR 112 lone 9 100 - 9 - 3607/3.6=3, 3620/4.6=2 QE MET 68 - H TYR 112 lone 5 89 - 6 - 8423/9875=1, 2047/9878=1 HB3 ARG 141 - H TYR 112 lone 2 85 - 2 - Peak 7361 from nnoeabs.peaks (2.13, 9.19, 121.48 ppm; 5.36 A): 5 out of 7 assignments used, quality = 0.82: * HG2 GLN 111 + H TYR 112 OK 51 100 - 51 - 1.8/7362=21, 3.0/7360=17...(6) HB VAL 73 + H TYR 112 OK 39 85 - 45 - 8549/4.5=11, ~9302=9...(12) HB2 GLU 75 + H TYR 112 OK 23 92 - 25 - 7330/3.3=5, 2215/6.5=5...(7) HG3 PRO 118 + H TYR 112 OK 12 92 - 13 - 7330/3.3=3, 3631/4.6=3...(4) HG2 GLU 81 + H TYR 112 OK 10 81 - 13 - 3608/3.6=3, 7330/3.3=2 HB2 GLN 133 - H TYR 112 lone 6 68 - 9 - 3608/3.6=2, 3631/4.6=1 HB3 GLN 133 - H TYR 112 lone 5 62 - 8 - 3631/4.6=1, 7330/3.3=1 Peak 7362 from nnoeabs.peaks (2.78, 9.19, 121.48 ppm; 4.70 A): 4 out of 4 assignments used, quality = 0.66: * HG3 GLN 111 + H TYR 112 OK 41 100 - 41 - 3.0/7360=14, 3.0/7359=13...(5) HB2 ASP 41 + H TYR 112 OK 18 92 - 20 - 3609/3.6=5, 7331/3.3=4...(5) HB3 TYR 119 + H TYR 112 OK 18 100 - 18 - 3609/3.6=4, 7331/3.3=4...(6) HB3 ASN 84 + H TYR 112 OK 15 100 - 15 - 3609/3.6=4, 7331/3.3=4...(5) Peak 7365 from nnoeabs.peaks (3.91, 9.19, 121.48 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HA TYR 112 + H TYR 112 OK 100 100 - 100 - 2.9=100 HD3 PRO 98 - H TYR 112 OK 21 68 - 31 - 1.8/7367=5, ~3240=4...(12) HD2 PRO 129 - H TYR 112 OK 18 81 - 22 - 7378/3.9=3, ~4364=2...(11) HA MET 46 - H TYR 112 OK 15 81 - 18 - 2.9/7357=3, 7378/3.9=3...(8) Peak 7366 from nnoeabs.peaks (3.25, 9.19, 121.48 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.90: * HB2 TYR 112 + H TYR 112 OK 84 100 - 84 - 4.0=68, 1.8/7367=22...(6) HD2 PRO 52 + H TYR 112 OK 28 100 - 28 - 3656/2.9=7, 3675/4.0=5...(8) HD2 ARG 89 + H TYR 112 OK 11 98 - 11 - 3656/2.9=2, 7379/3.9=2...(5) Peak 7367 from nnoeabs.peaks (3.41, 9.19, 121.48 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.92: * HB3 TYR 112 + H TYR 112 OK 85 100 - 85 - 4.0=70, 1.8/7366=25...(6) HA THR 74 + H TYR 112 OK 33 89 - 37 - 3.2/9298=6, 3657/2.9=6...(11) HD2 PRO 98 + H TYR 112 OK 17 68 - 26 - 3657/2.9=5, 1.8/7365=5...(9) Peak 7368 from nnoeabs.peaks (6.93, 9.19, 121.48 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.98: * QD TYR 112 + H TYR 112 OK 98 100 - 98 - 4.5=92, 2.7/7366=28...(10) QD PHE 23 - H TYR 112 OK 30 89 - 34 - 3658/2.9=8, 7381/3.9=7...(10) Peak 7370 from nnoeabs.peaks (8.87, 9.19, 121.48 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.86: * H MET 113 + H TYR 112 OK 86 100 - 86 - 3.9=72, 7380/4.0=13...(13) Peak 7371 from nnoeabs.peaks (7.38, 9.19, 121.48 ppm; 4.96 A): 3 out of 3 assignments used, quality = 0.81: * H LYS 114 + H TYR 112 OK 68 100 - 68 - 3.0/7370=45, 3613/3.6=23...(6) H ARG 49 + H TYR 112 OK 31 100 - 31 - 7396/3.9=10, 3613/3.6=9...(6) H ASP 41 + H TYR 112 OK 17 96 - 17 - 3.8/7362=6, 3613/3.6=6 Peak 7372 from nnoeabs.peaks (8.87, 8.87, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + H MET 113 OK 100 100 - 100 Peak 7373 from nnoeabs.peaks (3.61, 8.87, 118.99 ppm; 6.04 A): 2 out of 3 assignments used, quality = 0.88: * HA ARG 109 + H MET 113 OK 86 100 - 86 - 7354/3.9=38, 4.9/3590=38...(14) HA LYS 61 + H MET 113 OK 10 96 - 11 - 3672/4.7=3, 7354/3.9=3 HA2 GLY 31 - H MET 113 lone 6 72 - 9 - 7354/3.9=2, 3672/4.7=2 Peak 7374 from nnoeabs.peaks (3.81, 8.87, 118.99 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.88: * HA THR 110 + H MET 113 OK 80 100 - 80 - 3590=45, 3592/4.1=17...(8) HA3 GLY 50 + H MET 113 OK 28 92 - 31 - 7392/3.0=5, ~6472=5...(9) HA LEU 66 + H MET 113 OK 22 81 - 26 - 9337/3722=4, 3697/4.1=4...(10) Peak 7377 from nnoeabs.peaks (9.19, 8.87, 118.99 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.87: * H TYR 112 + H MET 113 OK 85 100 - 85 - 3.9=70, 4.0/7380=12...(13) H ASP 65 + H MET 113 OK 13 100 - 13 - 3654/3.6=3, 3673/4.7=2...(5) Peak 7378 from nnoeabs.peaks (3.91, 8.87, 118.99 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * HA TYR 112 + H MET 113 OK 100 100 - 100 - 3.6=100 HD2 PRO 129 - H MET 113 OK 27 81 - 34 - 2.3/7386=5, 7365/3.9=4...(16) HA MET 46 - H MET 113 OK 25 81 - 31 - 3.0/7384=7, 10681/3.0=7...(11) HD3 PRO 98 - H MET 113 OK 14 68 - 21 - 1.8/7380=5, 7365/3.9=4...(6) Peak 7379 from nnoeabs.peaks (3.25, 8.87, 118.99 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.94: * HB2 TYR 112 + H MET 113 OK 89 100 - 89 - 4.7=65, 4.0/7370=27...(8) HD2 PRO 52 + H MET 113 OK 31 100 - 31 - 3656/3.6=8, 7366/3.9=6...(6) HD2 ARG 89 + H MET 113 OK 12 98 - 12 - 3656/3.6=3, 7366/3.9=2...(6) Peak 7380 from nnoeabs.peaks (3.41, 8.87, 118.99 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.91: * HB3 TYR 112 + H MET 113 OK 86 100 - 86 - 4.7=58, 4.0/7370=25...(10) HA THR 74 + H MET 113 OK 28 89 - 31 - 3657/3.6=6, 7367/3.9=6...(10) HD2 PRO 98 + H MET 113 OK 13 68 - 20 - 3657/3.6=5, 3668/4.7=4...(5) Peak 7381 from nnoeabs.peaks (6.93, 8.87, 118.99 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.95: * QD TYR 112 + H MET 113 OK 93 100 - 93 - 4.9=71, 4.5/7370=27...(10) QD PHE 23 + H MET 113 OK 32 89 - 36 - 3658/3.6=7, 7368/3.9=6...(11) Peak 7383 from nnoeabs.peaks (4.00, 8.87, 118.99 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + H MET 113 OK 100 100 - 100 - 3.0=100 HA LYS 114 + H MET 113 OK 53 100 - 53 - 7403/3.0=10, ~3742=6...(19) HA LEU 69 - H MET 113 OK 22 100 - 22 - 3.9/9315=6, 3723/3722=2...(9) HB3 SER 127 - H MET 113 OK 18 81 - 22 - 1.8/10352=11, ~4322=2...(5) HB2 SER 138 - H MET 113 OK 13 100 - 13 - 7403/3.0=2, 3699/4.1=2...(5) HB3 SER 138 - H MET 113 OK 13 100 - 13 - 7403/3.0=2, 3699/4.1=2...(5) HA GLU 122 - H MET 113 OK 13 100 - 13 - 3730/3.0=2, 3699/4.1=1 HB3 SER 100 - H MET 113 lone 3 72 - 5 - HB2 SER 103 - H MET 113 lone 2 72 - 2 - Peak 7384 from nnoeabs.peaks (2.19, 8.87, 118.99 ppm; 3.28 A): 4 out of 5 assignments used, quality = 0.92: * HB2 MET 113 + H MET 113 OK 87 100 - 87 - 4.1=51, 1.8/3698=25...(15) HB2 MET 46 + H MET 113 OK 23 100 - 23 - 3682/3.0=4, 3700/4.1=3...(10) HG2 GLU 75 + H MET 113 OK 13 100 - 13 - 3682/3.0=3, 3700/4.1=2...(8) HB3 PRO 57 + H MET 113 OK 12 81 - 14 - 3682/3.0=3, 7398/3.0=2...(7) HB3 LYS 86 - H MET 113 lone 5 68 - 7 - 3682/3.0=1, 3700/4.1=1 Peak 7385 from nnoeabs.peaks (2.27, 8.87, 118.99 ppm; 3.21 A): 4 out of 6 assignments used, quality = 0.94: * HB3 MET 113 + H MET 113 OK 86 100 - 86 - 4.1=48, 1.8/7384=21...(16) HG2 GLU 90 + H MET 113 OK 41 100 - 41 - 3683/3.0=6, 3692/4.1=5...(16) HG3 GLU 90 + H MET 113 OK 19 68 - 29 - 2942/4.1=4, ~3683=3...(13) HG3 PRO 129 + H MET 113 OK 16 92 - 17 - 2.3/7378=3, 4404/3.6=3...(6) HG3 GLU 142 - H MET 113 lone 9 100 - 9 - 3683/3.0=2, 9567/5.2=1...(4) HG2 GLU 131 - H MET 113 lone 7 100 - 7 - 9567/5.2=1, 3683/3.0=1 Peak 7386 from nnoeabs.peaks (2.25, 8.87, 118.99 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.91: * HG2 MET 113 + H MET 113 OK 83 100 - 83 - 1.8/3714=27, 3706=27...(20) HG3 GLU 90 + H MET 113 OK 41 96 - 42 - 3702/4.1=8, 3684/3.0=8...(12) HG3 PRO 129 + H MET 113 OK 15 77 - 19 - 2.3/7378=3, 3684/3.0=3...(8) Peak 7387 from nnoeabs.peaks (2.75, 8.87, 118.99 ppm; 3.40 A): 2 out of 9 assignments used, quality = 0.92: * HG3 MET 113 + H MET 113 OK 87 100 - 87 - 3714=36, 1.8/3706=27...(21) HE2 LYS 114 + H MET 113 OK 38 85 - 45 - ~3820=7, ~3820=6...(20) HE2 LYS 76 - H MET 113 OK 20 89 - 23 - 3685/3.0=2, 3703/4.1=2...(11) HE3 LYS 76 - H MET 113 OK 16 72 - 22 - 3809/3.0=2, 3685/3.0=2...(12) HB3 ASP 40 - H MET 113 OK 16 98 - 16 - ~873=2, 4.4/7389=2...(9) HB3 PHE 43 - H MET 113 lone 7 100 - 7 - 3703/4.1=1, 3694/4.1=1 HB2 ASN 54 - H MET 113 lone 6 100 - 6 - 3.5/10247=2 HB3 ASP 137 - H MET 113 lone 5 100 - 5 - HB2 ASN 96 - H MET 113 lone 4 81 - 5 - Peak 7388 from nnoeabs.peaks (1.99, 8.87, 118.99 ppm; 4.30 A): 2 out of 9 assignments used, quality = 0.98: * QE MET 113 + H MET 113 OK 96 100 - 96 - 3722=50, 3.3/3714=33...(21) HB2 GLN 111 + H MET 113 OK 47 98 - 48 - 4.6/7370=25, ~3613=10...(12) HB3 GLU 90 - H MET 113 OK 42 72 - 59 - 3.0/7386=12, 3.0/7385=9...(15) HG3 PRO 52 - H MET 113 OK 22 89 - 25 - 2.3/7379=9, 7359/3.9=4...(6) HB2 GLU 142 - H MET 113 OK 19 92 - 20 - 3704/4.1=3, 3695/4.1=3...(9) HB VAL 63 - H MET 113 OK 15 100 - 15 - 3695/4.1=2, 3686/3.0=2...(7) HG3 GLU 122 - H MET 113 OK 14 77 - 18 - 4088/3.0=2, ~4081=2...(10) QE MET 59 - H MET 113 OK 11 100 - 11 - 10409/9317=2, 7359/3.9=1 QE MET 11 - H MET 113 OK 11 85 - 12 - 10664/4.1=3, 7359/3.9=2...(4) Peak 7389 from nnoeabs.peaks (7.38, 8.87, 118.99 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 114 + H MET 113 OK 100 100 - 100 - 3.0=100 H ARG 49 - H MET 113 OK 37 100 - 37 - 7396=13, 3687/3.0=5...(10) H ASP 41 - H MET 113 OK 18 96 - 19 - 3687/3.0=3, 3696/4.1=2...(10) Peak 7391 from nnoeabs.peaks (7.38, 7.38, 115.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 114 + H LYS 114 OK 100 100 - 100 H ARG 49 + H ARG 49 OK 98 98 - 100 Peak 7392 from nnoeabs.peaks (3.81, 7.38, 115.73 ppm; 3.89 A): 5 out of 6 assignments used, quality = 0.89: * HA THR 110 + H LYS 114 OK 60 100 - 60 - 3590/3.0=26, 3592/4.7=13...(11) HA3 GLY 50 + H ARG 49 OK 45 89 - 50 - 2.9/6472=23, 3.6/8208=14...(7) HA3 GLY 50 + H LYS 114 OK 29 92 - 31 - 2.9/6472=11, 7374/3.0=6...(7) HA THR 110 + H ARG 49 OK 19 99 - 19 - 5.0/3613=4, 3590/7396=3...(7) HA LEU 66 + H LYS 114 OK 16 81 - 19 - 7374/3.0=4, 3697/4.7=3...(6) HA LEU 66 - H ARG 49 lone 6 78 - 8 - Peak 7393 from nnoeabs.peaks (4.64, 7.38, 115.73 ppm; 3.90 A): 8 out of 10 assignments used, quality = 0.95: * HA GLN 111 + H LYS 114 OK 66 100 - 66 - 3613=30, 3615/3.9=13...(12) HA LEU 87 + H LYS 114 OK 38 99 - 38 - 3.0/7412=7, 2769/4.6=7...(10) HA ASN 139 + H LYS 114 OK 36 94 - 38 - 3753/3.9=5, 3741/3.9=5...(14) HA GLN 111 + H ARG 49 OK 27 99 - 28 - 3613=12, 3.6/7371=5...(8) HG1 THR 110 + H LYS 114 OK 23 100 - 23 - 4.0/7392=8, 3741/3.9=3...(8) HA LEU 87 + H ARG 49 OK 14 97 - 14 - 3.0/7412=3, 2771/5.0=1...(5) HA ASP 32 + H LYS 114 OK 12 100 - 12 - 7414/4.6=3, ~10819=2...(6) HA ASN 139 + H ARG 49 OK 11 92 - 12 - 10354/2.9=2, 9339/3787=1 HG1 THR 110 - H ARG 49 lone 6 99 - 6 - 4.0/7392=2 HA ASP 32 - H ARG 49 lone 4 99 - 4 - Peak 7395 from nnoeabs.peaks (3.91, 7.38, 115.73 ppm; 3.62 A): 7 out of 8 assignments used, quality = 0.89: * HA TYR 112 + H LYS 114 OK 55 100 - 55 - ~7370=11, 2.9/7371=10...(11) HA MET 46 + H ARG 49 OK 26 78 - 33 - 10681=8, 6433/4.6=5...(9) HA TYR 112 + H ARG 49 OK 24 99 - 25 - 3.6/7396=7, 2.9/7371=5...(8) HD2 PRO 129 + H ARG 49 OK 23 78 - 29 - 9824/3.7=5, 8198/2.9=4...(10) HA MET 46 + H LYS 114 OK 18 81 - 23 - 10681=5, 3.0/7398=3...(8) HD3 PRO 98 + H ARG 49 OK 18 65 - 27 - 8196/3.7=7, 9802/5.0=4...(9) HD2 PRO 129 + H LYS 114 OK 15 81 - 19 - 7378/3.0=4, 2.3/7400=3...(8) HD3 PRO 98 - H LYS 114 poor 7 68 - 11 - 7378/3.0=2, ~7380=2...(4) Peak 7396 from nnoeabs.peaks (8.87, 7.38, 115.73 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * H MET 113 + H LYS 114 OK 100 100 - 100 - 3.0=100 H MET 113 - H ARG 49 OK 34 99 - 34 - 7389=11, 3.0/3687=4...(10) Peak 7397 from nnoeabs.peaks (4.00, 7.38, 115.73 ppm; 2.94 A): 2 out of 18 assignments used, quality = 1.00: HA LYS 114 + H LYS 114 OK 99 100 - 99 - 3.0=99, 3.6/7418=10...(15) * HA MET 113 + H LYS 114 OK 79 100 - 79 - 3.6=56, 3.0/7398=8...(23) HA LYS 114 - H ARG 49 OK 38 99 - 39 - 3730=8, 3.0/3754=6...(11) HA MET 113 - H ARG 49 OK 23 99 - 23 - 3.0/7396=5, 3687=4...(7) HB3 SER 138 - H LYS 114 OK 17 100 - 17 - 3755/3.9=2, 3743/3.9=2...(6) HB2 SER 138 - H LYS 114 OK 17 100 - 17 - 3755/3.9=2, 3743/3.9=2...(6) HA GLU 122 - H LYS 114 OK 15 100 - 15 - 3730=3, 3734/4.9=1...(4) HA LEU 69 - H LYS 114 OK 12 100 - 12 - 7383/3.0=2, 3.0/6466=1 HB3 SER 127 - H LYS 114 lone 8 81 - 9 - ~10352=4, 7383/3.0=1 HA LEU 69 - H ARG 49 lone 6 99 - 6 - 3.0/6466=1 HB2 SER 138 - H ARG 49 lone 6 99 - 6 - HB3 SER 138 - H ARG 49 lone 6 99 - 6 - HA GLU 122 - H ARG 49 lone 5 99 - 5 - HB2 SER 103 - H LYS 114 lone 2 72 - 3 - HB3 SER 100 - H LYS 114 lone 2 72 - 2 - HB2 SER 103 - H ARG 49 lone 2 70 - 2 - HB3 SER 127 - H ARG 49 lone 1 78 - 1 - HB3 SER 100 - H ARG 49 lone 0 70 - 1 - Peak 7398 from nnoeabs.peaks (2.19, 7.38, 115.73 ppm; 3.41 A): 3 out of 10 assignments used, quality = 0.92: * HB2 MET 113 + H LYS 114 OK 86 100 - 86 - 4.7=39, 7384/3.0=17...(24) HB2 MET 113 + H ARG 49 OK 28 99 - 28 - 3696=5, 4.1/7396=5...(7) HB2 MET 46 + H LYS 114 OK 23 100 - 24 - 3.0/10681=5, 7384/3.0=4...(8) HB3 PRO 57 - H LYS 114 OK 19 81 - 24 - 10589/9311=4, 8266/4.9=3...(9) HG2 GLU 75 - H LYS 114 OK 18 100 - 18 - 5.0/8622=8, 3682/3.6=3...(4) HB2 MET 46 - H ARG 49 OK 12 99 - 13 - 3.0/10681=9 HB3 LYS 86 - H ARG 49 poor 8 65 - 12 - 2.9/6466=2, 2696/5.0=1...(6) HB3 LYS 86 - H LYS 114 poor 8 68 - 12 - 4.6/7412=3, 3682/3.6=1...(4) HB3 PRO 57 - H ARG 49 lone 5 78 - 6 - 10589/9311=1 HG2 GLU 75 - H ARG 49 lone 4 98 - 4 - 5.0/8622=2 Peak 7399 from nnoeabs.peaks (2.27, 7.38, 115.73 ppm; 3.37 A): 6 out of 12 assignments used, quality = 0.95: * HB3 MET 113 + H LYS 114 OK 83 100 - 83 - 4.7=38, 3698/3.0=21...(22) HG2 GLU 90 + H LYS 114 OK 30 100 - 30 - 7385/3.0=6, 3683/3.6=5...(10) HB3 MET 113 + H ARG 49 OK 26 99 - 27 - 1.8/3696=5, 4.1/7396=5...(7) HG3 PRO 129 + H ARG 49 OK 17 89 - 19 - 2.3/7395=3, ~8198=3...(7) HG3 PRO 129 + H LYS 114 OK 15 92 - 16 - 7385/3.0=2, 2.3/7395=2...(7) HG3 GLU 90 + H LYS 114 OK 13 68 - 20 - ~7385=3, 2942/4.7=3...(8) HG3 GLU 142 - H LYS 114 lone 7 100 - 7 - 7385/3.0=1, 3683/3.6=1 HG2 GLU 90 - H ARG 49 lone 5 98 - 5 - HG2 GLU 131 - H LYS 114 lone 5 100 - 5 - 7385/3.0=1, 3683/3.6=1 HG3 GLU 90 - H ARG 49 lone 3 65 - 4 - HG2 GLU 131 - H ARG 49 lone 2 98 - 2 - HG3 GLU 142 - H ARG 49 lone 2 98 - 2 - Peak 7400 from nnoeabs.peaks (2.25, 7.38, 115.73 ppm; 3.50 A): 5 out of 6 assignments used, quality = 0.94: * HG2 MET 113 + H LYS 114 OK 83 100 - 83 - 3706/3.0=23, ~3714=15...(27) HG3 GLU 90 + H LYS 114 OK 35 96 - 36 - 7386/3.0=8, 3702/4.7=8...(8) HG2 MET 113 + H ARG 49 OK 27 99 - 27 - 3.3/3729=5, 3.0/3696=5...(7) HG3 PRO 129 + H ARG 49 OK 15 74 - 21 - ~8198=4, 2.3/7395=4...(7) HG3 PRO 129 + H LYS 114 OK 15 77 - 19 - 3684/3.6=3, 7386/3.0=3...(8) HG3 GLU 90 - H ARG 49 lone 7 94 - 7 - 3726/3729=1 Peak 7401 from nnoeabs.peaks (2.75, 7.38, 115.73 ppm; 4.06 A): 2 out of 18 assignments used, quality = 0.98: * HG3 MET 113 + H LYS 114 OK 93 100 - 93 - 3714/3.0=32, 1.8/7400=20...(26) HE2 LYS 114 + H LYS 114 OK 77 85 - 91 - 7.0=20, 1.8/3820=20...(27) HE2 LYS 76 - H LYS 114 OK 43 89 - 48 - 3809=5, 1.8/3809=5...(21) HE2 LYS 114 - H ARG 49 OK 42 82 - 50 - 3.7/7406=10, 1.8/3820=9...(9) HB3 ASP 40 - H LYS 114 OK 41 98 - 42 - 3.0/873=6, 3.3/6286=5...(18) HG3 MET 113 - H ARG 49 OK 34 99 - 35 - 3.3/3729=7, 3.0/3696=7...(6) HE3 LYS 76 - H LYS 114 OK 34 72 - 46 - 1.8/3809=5, 3809=4...(20) HE2 LYS 76 - H ARG 49 OK 24 86 - 27 - 3.0/6465=5, ~1241=4...(7) HB3 PHE 43 - H LYS 114 OK 20 100 - 20 - ~10197=8, 3703/4.7=2...(7) HE3 LYS 76 - H ARG 49 OK 19 70 - 27 - 3.0/6465=5, ~1241=4...(7) HB3 ASP 137 - H LYS 114 OK 16 100 - 16 - 9707/5.9=4, 3738/3.0=2...(5) HB2 ASN 54 - H LYS 114 OK 12 100 - 12 - ~10247=2, 7387/3.0=1 HB3 ASP 40 - H ARG 49 OK 10 96 - 10 - 3.3/6286=2, 3.0/873=1 HB2 ASN 96 - H ARG 49 poor 9 78 - 11 - 4.7/6470=4, 3180/4.6=3, ~10101=3 HB2 ASN 96 - H LYS 114 lone 6 81 - 7 - 4.7/6470=1 HB3 ASP 137 - H ARG 49 lone 4 98 - 4 - HB3 PHE 43 - H ARG 49 lone 3 98 - 3 - HB2 ASN 54 - H ARG 49 lone 2 99 - 2 - Peak 7402 from nnoeabs.peaks (1.99, 7.38, 115.73 ppm; 3.95 A): 3 out of 18 assignments used, quality = 0.95: * QE MET 113 + H LYS 114 OK 88 100 - 88 - 3722/3.0=32, 3729=32...(21) QE MET 113 + H ARG 49 OK 36 99 - 37 - 3729=12, 4.2/3696=5...(9) HB2 GLN 111 + H LYS 114 OK 35 98 - 36 - 2.9/3613=19, 4.6/7371=9...(7) HB3 GLU 90 - H LYS 114 OK 25 72 - 35 - 3.0/7400=6, 3704/4.7=5...(9) HB2 GLN 111 - H ARG 49 OK 13 96 - 14 - 2.9/3613=7, 4.6/7371=4 HG3 GLU 122 - H LYS 114 OK 13 77 - 17 - 3.9/3730=2, 1.8/6468=2...(8) QE MET 11 - H LYS 114 OK 12 85 - 14 - 10600/4.9=2, 10664/4.7=2...(5) HB2 GLU 142 - H LYS 114 OK 12 92 - 13 - 3704/4.7=2, 3686/3.6=2...(5) HG3 PRO 52 - H LYS 114 OK 12 89 - 14 - ~7379=4, 7388/3.0=2...(4) HB VAL 63 - H LYS 114 lone 10 100 - 10 - 3695/4.7=2, 3686/3.6=2...(4) QE MET 59 - H ARG 49 lone 8 98 - 8 - 10570/4.6=2, 10404/4.9=2 QE MET 11 - H ARG 49 lone 8 82 - 9 - 10599/4.9=2, 10591/3.6=2 QE MET 59 - H LYS 114 lone 7 100 - 7 - 10563/3.6=1, 7388/3.0=1 HB3 GLU 90 - H ARG 49 lone 4 70 - 6 - 3.0/7400=1 HG3 PRO 52 - H ARG 49 lone 4 86 - 5 - 8228/10647=2 HG3 GLU 122 - H ARG 49 lone 4 74 - 5 - HB VAL 63 - H ARG 49 lone 4 98 - 4 - ~10466=1 HB2 GLU 142 - H ARG 49 lone 3 89 - 3 - Peak 7403 from nnoeabs.peaks (4.00, 7.38, 115.73 ppm; 2.94 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 114 + H LYS 114 OK 99 100 - 99 - 3.0=99, 3.6/7418=10...(15) HA MET 113 + H LYS 114 OK 79 100 - 79 - 3.6=56, 3.0/7398=8...(23) HA LYS 114 - H ARG 49 OK 38 99 - 39 - 3730=8, 3.0/3754=6...(11) HA MET 113 - H ARG 49 OK 23 99 - 23 - 3.0/7396=5, 3687=4...(7) HB3 SER 138 - H LYS 114 OK 17 100 - 17 - 3755/3.9=2, 3743/3.9=2...(6) HB2 SER 138 - H LYS 114 OK 17 100 - 17 - 3755/3.9=2, 3743/3.9=2...(6) HA GLU 122 - H LYS 114 OK 15 100 - 15 - 3730=3, 3734/4.9=1...(4) HA LEU 69 - H LYS 114 OK 12 100 - 12 - 7383/3.0=2, 3.0/6466=1 HB3 SER 127 - H LYS 114 lone 8 81 - 9 - ~10352=4, 7383/3.0=1 HA LEU 69 - H ARG 49 lone 6 99 - 6 - 3.0/6466=1 HB2 SER 138 - H ARG 49 lone 6 99 - 6 - HB3 SER 138 - H ARG 49 lone 6 99 - 6 - HA GLU 122 - H ARG 49 lone 5 99 - 5 - HB2 SER 103 - H LYS 114 lone 2 72 - 3 - HB3 SER 100 - H LYS 114 lone 2 72 - 2 - HB2 SER 103 - H ARG 49 lone 2 70 - 2 - HB3 SER 127 - H ARG 49 lone 1 78 - 1 - HB3 SER 100 - H ARG 49 lone 0 70 - 1 - Peak 7404 from nnoeabs.peaks (1.65, 7.38, 115.73 ppm; 2.76 A): 8 out of 24 assignments used, quality = 0.92: * HB2 LYS 114 + H LYS 114 OK 69 100 - 69 - 3.9=35, 1.8/3754=12...(18) HB2 LYS 114 + H ARG 49 OK 36 99 - 36 - 3742=8, 1.8/3754=7...(11) HD3 LYS 93 + H LYS 114 OK 17 100 - 17 - 3732/3.0=3, 3756/3.9=2...(8) HD2 LYS 48 + H ARG 49 OK 16 60 - 27 - 3.0/6457=5, 3.6/1159=4...(8) HG2 ARG 140 + H ARG 49 OK 14 97 - 15 - 4733/2.9=2, 1.8/6464=2...(6) HB2 PRO 57 + H LYS 114 OK 14 100 - 14 - 1.8/7398=2, 3732/3.0=2...(6) HD3 LYS 93 + H ARG 49 OK 14 99 - 14 - 1143/3.6=3, 1178/4.9=2...(6) HD2 LYS 48 + H LYS 114 OK 13 62 - 22 - 3.0/6457=3, 3.0/1193=2...(10) HG13 ILE 136 - H LYS 114 lone 8 100 - 8 - ~9315=1 HG2 ARG 140 - H LYS 114 lone 7 99 - 7 - HG2 ARG 124 - H LYS 114 lone 6 77 - 8 - 3732/3.0=1, 3756/3.9=1 HG13 ILE 136 - H ARG 49 lone 4 98 - 4 - HB2 PRO 57 - H ARG 49 lone 4 99 - 4 - HB3 LEU 26 - H LYS 114 lone 4 62 - 6 - 3732/3.0=1 HB2 LEU 95 - H ARG 49 lone 3 60 - 5 - HG2 ARG 124 - H ARG 49 lone 2 74 - 2 - HB VAL 71 - H LYS 114 lone 2 62 - 3 - HB2 LEU 95 - H LYS 114 lone 1 62 - 2 - HB3 LEU 26 - H ARG 49 lone 1 60 - 2 - HB2 MET 68 - H LYS 114 lone 1 81 - 2 - HB2 MET 68 - H ARG 49 lone 1 78 - 2 - HG2 ARG 89 - H LYS 114 lone 1 62 - 2 - HG2 ARG 89 - H ARG 49 lone 1 60 - 1 - HB VAL 71 - H ARG 49 lone 1 60 - 1 - Peak 7405 from nnoeabs.peaks (1.44, 7.38, 115.73 ppm; 2.84 A): 5 out of 10 assignments used, quality = 0.94: * HB3 LYS 114 + H LYS 114 OK 73 100 - 73 - 3.9=38, 1.8/3742=13...(18) HG2 LYS 48 + H ARG 49 OK 42 86 - 49 - 4.9=19, 1141/3.6=10...(9) HB3 LYS 114 + H ARG 49 OK 40 99 - 40 - 3754=8, 1.8/3742=7...(12) HG2 LYS 48 + H LYS 114 OK 25 89 - 28 - 3.8/1147=4, 1.8/6458=3...(12) HG12 ILE 91 + H LYS 114 OK 17 68 - 25 - 1.8/7407=4, 3733/3.0=3...(12) HB3 LEU 66 - H LYS 114 lone 7 77 - 10 - 3745/3.9=1, 3.0/7392=1...(5) HG12 ILE 91 - H ARG 49 lone 5 65 - 7 - 1.8/7407=1 HB3 LYS 123 - H LYS 114 lone 4 77 - 5 - HB3 LEU 66 - H ARG 49 lone 3 74 - 4 - HB3 LYS 123 - H ARG 49 lone 3 74 - 4 - Peak 7406 from nnoeabs.peaks (0.45, 7.38, 115.73 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.98: * HG2 LYS 114 + H LYS 114 OK 96 100 - 96 - 4.9=55, 7422/4.6=19...(26) HG2 LYS 114 + H ARG 49 OK 59 99 - 59 - 3765=12, 1.8/3776=11...(12) Peak 7407 from nnoeabs.peaks (1.05, 7.38, 115.73 ppm; 3.48 A): 3 out of 6 assignments used, quality = 0.96: * HG3 LYS 114 + H LYS 114 OK 87 100 - 87 - 4.9=36, 1.8/7406=18...(22) HG3 LYS 114 + H ARG 49 OK 50 99 - 51 - 1.8/7406=11, 3776=9...(12) HG13 ILE 91 + H LYS 114 OK 46 98 - 47 - 3735/3.0=8, 3747/3.9=7...(14) QG2 VAL 53 - H LYS 114 OK 41 100 - 41 - 10450=16, 3735/3.0=6...(10) HG13 ILE 91 - H ARG 49 OK 11 96 - 12 - 3770/7406=1, 2982/4.9=1...(4) QG2 VAL 53 - H ARG 49 lone 8 99 - 8 - 9808/9311=2, 7423/7418=1 Peak 7409 from nnoeabs.peaks (1.49, 7.38, 115.73 ppm; 3.34 A): 5 out of 10 assignments used, quality = 0.95: * HD3 LYS 114 + H LYS 114 OK 83 100 - 83 - 5.9=18, 3737/3.0=15...(28) HD3 LYS 114 + H ARG 49 OK 41 99 - 42 - 2.9/7406=8, 3.6/3754=6...(10) HB3 LEU 29 + H LYS 114 OK 24 98 - 25 - 3737/3.0=4, 3761/3.9=4...(9) HG13 ILE 101 + H LYS 114 OK 23 100 - 23 - 3737/3.0=4, 3761/3.9=3...(9) HB3 LEU 29 + H ARG 49 OK 12 96 - 12 - 3.1/10670=2, ~10658=1 HG2 LYS 34 - H LYS 114 poor 10 94 - 10 - 3737/3.0=2, 3761/3.9=2...(5) QB ALA 134 - H LYS 114 poor 9 72 - 12 - 3737/3.0=2, 3749/3.9=2...(5) HG13 ILE 101 - H ARG 49 lone 5 98 - 5 - QB ALA 134 - H ARG 49 lone 4 70 - 6 - 10321/4.3=1, 10321/4.3=1 HG2 LYS 34 - H ARG 49 lone 4 92 - 4 - Peak 7410 from nnoeabs.peaks (2.76, 7.38, 115.73 ppm; 4.06 A): 5 out of 18 assignments used, quality = 1.00: * HE2 LYS 114 + H LYS 114 OK 91 100 - 91 - 7.0=20, 1.8/3820=20...(27) HG3 MET 113 + H LYS 114 OK 78 85 - 92 - 3714/3.0=25, 1.8/7400=20...(26) HE2 LYS 114 + H ARG 49 OK 51 99 - 52 - 3.7/7406=10, 1.8/3820=9...(10) HE2 LYS 76 + H LYS 114 OK 51 100 - 51 - 3809=6, 3813/4.9=6...(21) HE3 LYS 76 + H LYS 114 OK 49 100 - 50 - 3809=6, 3813/4.9=6...(20) HB3 ASP 40 - H LYS 114 OK 42 98 - 43 - 3.0/873=6, 3.3/6286=5...(18) HE2 LYS 76 - H ARG 49 OK 29 99 - 29 - 3.0/6465=5, 2324/3.7=4...(7) HG3 MET 113 - H ARG 49 OK 28 82 - 34 - 3.3/3729=7, 3.0/3696=7...(6) HE3 LYS 76 - H ARG 49 OK 28 98 - 29 - 3.0/6465=5, ~1241=4...(7) HB2 ASP 41 - H LYS 114 OK 18 72 - 24 - 1.8/904=5, 3.0/889=5...(5) HB3 PHE 43 - H LYS 114 OK 14 72 - 19 - ~10197=8, 3.8/6322=2...(6) HB2 ASN 54 - H LYS 114 OK 11 89 - 12 - ~10247=2 HB3 ASP 40 - H ARG 49 OK 10 96 - 11 - 3.3/6286=2, 3.0/873=1 HB3 ASP 137 - H LYS 114 poor 10 72 - 13 - 9707/5.9=2, 3738/3.0=2 HB2 ASP 41 - H ARG 49 lone 5 70 - 8 - 1.8/904=2, 3.0/889=2, 898=1 HB3 ASP 137 - H ARG 49 lone 2 70 - 3 - HB3 PHE 43 - H ARG 49 lone 2 70 - 3 - HB2 ASN 54 - H ARG 49 lone 2 86 - 2 - Peak 7412 from nnoeabs.peaks (8.12, 7.38, 115.73 ppm; 3.13 A): 3 out of 4 assignments used, quality = 0.81: * H TYR 115 + H LYS 114 OK 63 100 - 63 - 4.6=31, 7422/4.9=10...(11) H TYR 115 + H ARG 49 OK 31 99 - 31 - 7418=14, 3.6/3730=4...(8) H LEU 87 + H LYS 114 OK 25 100 - 25 - 3764/3.9=6, 3752/3.9=5...(5) H LEU 87 - H ARG 49 poor 10 98 - 10 - 6994/5.0=2, 3.0/7393=1 Peak 7413 from nnoeabs.peaks (8.12, 8.12, 110.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 115 + H TYR 115 OK 100 100 - 100 Peak 7414 from nnoeabs.peaks (4.64, 8.12, 110.38 ppm; 4.88 A): 4 out of 5 assignments used, quality = 0.95: HA LEU 87 + H TYR 115 OK 73 99 - 74 - 2769=15, 3.0/2785=12...(19) * HA GLN 111 + H TYR 115 OK 54 100 - 54 - 3613/4.6=18, 3615/4.6=18...(9) HA ASP 32 + H TYR 115 OK 39 100 - 39 - ~10812=12, 412/4.0=8...(10) HA ASN 139 + H TYR 115 OK 30 94 - 32 - 3753/4.6=7, 3741/4.6=7...(7) HG1 THR 110 - H TYR 115 OK 27 100 - 27 - 3.0/10241=11, 3741/4.6=4...(8) Peak 7415 from nnoeabs.peaks (3.91, 8.12, 110.38 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.69: * HA TYR 112 + H TYR 115 OK 62 100 - 62 - 10245/4.6=26, 3661=26...(8) HA MET 46 + H TYR 115 OK 18 81 - 22 - 5.2/10479=14...(4) HD2 PRO 129 - H TYR 115 lone 8 81 - 9 - 7395/4.6=2, 9381/4.6=2 HD3 PRO 98 - H TYR 115 lone 3 68 - 5 - 1083/10479=1, 7395/4.6=1 Peak 7417 from nnoeabs.peaks (4.00, 8.12, 110.38 ppm; 3.79 A): 2 out of 9 assignments used, quality = 1.00: HA LYS 114 + H TYR 115 OK 100 100 - 100 - 3.6=100 * HA MET 113 + H TYR 115 OK 46 100 - 46 - 3.6/7418=17, 4.9/3661=10...(9) HA LEU 69 - H TYR 115 OK 16 100 - 16 - 3.9/9369=5, 9382/4.6=2...(6) HA GLU 122 - H TYR 115 OK 12 100 - 11 - 3740=2, 3743/4.6=2...(6) HB3 SER 138 - H TYR 115 OK 11 100 - 12 - 3755/4.6=3, 3743/4.6=3...(5) HB2 SER 138 - H TYR 115 OK 11 100 - 12 - 3755/4.6=3, 3743/4.6=3...(5) HB3 SER 127 - H TYR 115 lone 2 81 - 2 - HB2 SER 103 - H TYR 115 lone 1 72 - 2 - HB3 SER 100 - H TYR 115 lone 1 72 - 2 - Peak 7418 from nnoeabs.peaks (7.38, 8.12, 110.38 ppm; 3.16 A): 3 out of 3 assignments used, quality = 0.78: * H LYS 114 + H TYR 115 OK 64 100 - 64 - 4.6=32, 4.9/7422=10...(11) H ARG 49 + H TYR 115 OK 30 100 - 30 - 7412=12, 3730/3.6=4...(8) H ASP 41 + H TYR 115 OK 13 96 - 14 - 3730/3.6=5, 3742/4.6=3...(4) Peak 7419 from nnoeabs.peaks (4.00, 8.12, 110.38 ppm; 3.79 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 114 + H TYR 115 OK 100 100 - 100 - 3.6=100 HA MET 113 + H TYR 115 OK 46 100 - 46 - 3.6/7418=17, 4.9/3661=10...(9) HA LEU 69 - H TYR 115 OK 16 100 - 16 - 3.9/9369=5, 9382/4.6=2...(6) HA GLU 122 - H TYR 115 OK 12 100 - 11 - 3740=2, 3743/4.6=2...(6) HB3 SER 138 - H TYR 115 OK 11 100 - 12 - 3755/4.6=3, 3743/4.6=3...(5) HB2 SER 138 - H TYR 115 OK 11 100 - 12 - 3755/4.6=3, 3743/4.6=3...(5) HB3 SER 127 - H TYR 115 lone 2 81 - 2 - HB2 SER 103 - H TYR 115 lone 1 72 - 2 - HB3 SER 100 - H TYR 115 lone 1 72 - 2 - Peak 7420 from nnoeabs.peaks (1.65, 8.12, 110.38 ppm; 3.57 A): 4 out of 12 assignments used, quality = 0.89: * HB2 LYS 114 + H TYR 115 OK 82 100 - 82 - 4.6=46, 2.9/7422=22...(11) HD3 LYS 93 + H TYR 115 OK 18 100 - 18 - 3732/3.6=4, 3756/4.6=3...(7) HB2 PRO 57 + H TYR 115 OK 16 100 - 16 - 10585/6.5=5, 3732/3.6=3...(5) HD2 LYS 48 + H TYR 115 OK 11 62 - 18 - 3.0/7421=4, 3.0/7429=2...(7) HG13 ILE 136 - H TYR 115 lone 9 100 - 9 - 10422/9368=2, 3732/3.6=1 HB VAL 71 - H TYR 115 poor 8 62 - 12 - 2.1/9368=7, ~10723=2 HG2 ARG 140 - H TYR 115 lone 7 99 - 7 - 3732/3.6=1, 3756/4.6=1 HG2 ARG 124 - H TYR 115 lone 5 77 - 7 - 3732/3.6=2, 3756/4.6=2 HB3 LEU 26 - H TYR 115 lone 4 62 - 6 - 3732/3.6=2, 3756/4.6=1 HB2 MET 68 - H TYR 115 lone 2 81 - 3 - HB2 LEU 95 - H TYR 115 lone 1 62 - 2 - HG2 ARG 89 - H TYR 115 lone 1 62 - 1 - Peak 7421 from nnoeabs.peaks (1.44, 8.12, 110.38 ppm; 3.24 A): 4 out of 5 assignments used, quality = 0.85: * HB3 LYS 114 + H TYR 115 OK 72 100 - 72 - 4.6=35, 2.9/7422=18...(9) HG2 LYS 48 + H TYR 115 OK 20 89 - 22 - 4.9/7418=4, 3733/3.6=3...(11) HG12 ILE 91 + H TYR 115 OK 19 68 - 28 - 1.8/7423=7, 3733/3.6=3...(12) HB3 LEU 66 + H TYR 115 OK 17 77 - 23 - 3.1/11111=6, 4726/4.5=4...(8) HB3 LYS 123 - H TYR 115 poor 10 77 - 12 - ~10248=5, 10213/3.0=1 Peak 7422 from nnoeabs.peaks (0.45, 8.12, 110.38 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.72: * HG2 LYS 114 + H TYR 115 OK 72 100 - 72 - 2.9/3752=22, 2.9/3764=21...(11) Peak 7423 from nnoeabs.peaks (1.05, 8.12, 110.38 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.95: * HG3 LYS 114 + H TYR 115 OK 79 100 - 79 - 1.8/7422=31, 2.9/3752=18...(15) QG2 VAL 53 + H TYR 115 OK 58 100 - 58 - 10450/4.6=16...(12) HG13 ILE 91 + H TYR 115 OK 44 98 - 45 - 3735/3.6=8, 3747/4.6=7...(15) Peak 7428 from nnoeabs.peaks (4.51, 8.12, 110.38 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 115 + H TYR 115 OK 100 100 - 100 - 3.0=100 HA HIS 14 - H TYR 115 OK 23 100 - 23 - 3840/4.0=5...(8) Peak 7429 from nnoeabs.peaks (2.95, 8.12, 110.38 ppm; 3.68 A): 1 out of 10 assignments used, quality = 0.92: * HB2 TYR 115 + H TYR 115 OK 92 100 - 92 - 4.0=75, 1.8/3847=23...(10) HB3 PHE 67 - H TYR 115 OK 17 100 - 18 - 1941/4.5=5, 3833/3.0=4...(5) HE2 LYS 48 - H TYR 115 OK 16 100 - 16 - 3.6/7421=4, 3833/3.0=2...(7) HE3 LYS 48 - H TYR 115 OK 16 99 - 16 - 3.6/7421=4, 3833/3.0=2...(7) HE2 LYS 93 - H TYR 115 OK 12 100 - 12 - 3.0/7420=3, 3833/3.0=2 HE2 LYS 85 - H TYR 115 OK 10 100 - 10 - 3833/3.0=2, 3849/4.0=1 HE3 LYS 85 - H TYR 115 poor 10 94 - 10 - 3833/3.0=1, 10052/2809=1 HE3 LYS 93 - H TYR 115 poor 9 81 - 11 - 3.0/7420=3, 3833/3.0=1, ~3833=1 HB2 PHE 106 - H TYR 115 lone 5 100 - 5 - 3833/3.0=1 HB3 ASN 130 - H TYR 115 lone 1 62 - 2 - Peak 7430 from nnoeabs.peaks (2.69, 8.12, 110.38 ppm; 3.57 A): 4 out of 6 assignments used, quality = 0.94: * HB3 TYR 115 + H TYR 115 OK 88 100 - 88 - 4.0=68, 2.5/7431=21...(10) HB3 ASP 13 + H TYR 115 OK 30 98 - 30 - 3847=8, 119/3.0=7...(7) HB2 ASP 32 + H TYR 115 OK 16 100 - 16 - 3834/3.0=4, 3842/4.0=3...(5) HB2 PHE 43 + H TYR 115 OK 10 99 - 10 - 3834/3.0=3, 3842/4.0=2...(4) HB2 ASP 137 - H TYR 115 lone 9 98 - 9 - 3834/3.0=2, 3842/4.0=2...(4) HB3 ASP 16 - H TYR 115 lone 7 94 - 7 - 3847=2, 3848/3.0=1, 3842/4.0=1 Peak 7431 from nnoeabs.peaks (7.31, 8.12, 110.38 ppm; 3.32 A): 4 out of 4 assignments used, quality = 0.90: * QD TYR 115 + H TYR 115 OK 82 100 - 82 - 4.5=39, 2.2/7432=18...(16) H ASP 30 + H TYR 115 OK 22 100 - 22 - 3835/3.0=4, 10201/4.6=3...(10) H ARG 35 + H TYR 115 OK 15 98 - 15 - 10260/4.6=2, 3835/3.0=2...(7) H PHE 67 + H TYR 115 OK 13 62 - 21 - 3835/3.0=3, 3843/4.0=3...(9) Peak 7432 from nnoeabs.peaks (7.16, 8.12, 110.38 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.93: * QE TYR 115 + H TYR 115 OK 92 100 - 92 - 6.5=29, 2.2/7431=28...(23) QD TYR 117 + H TYR 115 OK 14 62 - 23 - 10261/4.6=6, 10287/4.6=5...(7) Peak 7433 from nnoeabs.peaks (8.38, 8.12, 110.38 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.64: * H LEU 116 + H TYR 115 OK 64 100 - 64 - 7435=33, 3853/4.0=11...(10) Peak 7434 from nnoeabs.peaks (8.38, 8.38, 115.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 116 + H LEU 116 OK 100 100 - 100 Peak 7435 from nnoeabs.peaks (8.12, 8.38, 115.59 ppm; 3.36 A): 2 out of 2 assignments used, quality = 0.81: * H TYR 115 + H LEU 116 OK 76 100 - 76 - 7433=50, 4.0/3853=12...(10) H LEU 87 + H LEU 116 OK 20 100 - 20 - 3831/3.6=5, 10284/4.8=3...(5) Peak 7436 from nnoeabs.peaks (4.51, 8.38, 115.59 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 115 + H LEU 116 OK 100 100 - 100 - 3.6=100 HA HIS 14 - H LEU 116 OK 33 100 - 33 - 9390/4.5=11, 3840/4.7=8...(7) Peak 7437 from nnoeabs.peaks (2.95, 8.38, 115.59 ppm; 4.75 A): 1 out of 10 assignments used, quality = 1.00: * HB2 TYR 115 + H LEU 116 OK 100 100 - 100 - 4.7=100 HB3 PHE 67 - H LEU 116 OK 30 100 - 30 - 1941/4.8=7, 3833/3.6=5...(8) HE2 LYS 93 - H LEU 116 OK 16 100 - 16 - 10224/4.6=3, 3833/3.6=2...(7) HE2 LYS 48 - H LEU 116 OK 15 100 - 15 - 3833/3.6=3, 7429/4.6=3...(6) HE3 LYS 48 - H LEU 116 OK 14 99 - 14 - 3833/3.6=3, 7429/4.6=3...(6) HE2 LYS 85 - H LEU 116 OK 12 100 - 12 - 3833/3.6=2, 7429/4.6=2...(6) HE3 LYS 85 - H LEU 116 poor 10 94 - 10 - 3833/3.6=2, 7429/4.6=2...(5) HE3 LYS 93 - H LEU 116 poor 9 81 - 11 - 10290/5.0=3, 3.8/7444=2...(6) HB2 PHE 106 - H LEU 116 lone 9 100 - 9 - 3833/3.6=2, 3849/4.7=1 HB3 ASN 130 - H LEU 116 lone 1 62 - 2 - Peak 7438 from nnoeabs.peaks (2.69, 8.38, 115.59 ppm; 4.78 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TYR 115 + H LEU 116 OK 100 100 - 100 - 4.7=100 HB3 ASP 13 - H LEU 116 OK 44 98 - 45 - 3853=10, 9386/4.5=10...(9) HB2 ASP 32 - H LEU 116 OK 29 100 - 29 - 3834/3.6=7, 3842/4.7=5...(9) HB2 PHE 43 - H LEU 116 OK 27 99 - 28 - 10684/4.6=6, 9377/5.0=6...(8) HB2 ASP 137 - H LEU 116 OK 17 98 - 17 - 3834/3.6=3, 3842/4.7=3...(7) HB3 ASP 16 - H LEU 116 OK 14 94 - 14 - 3853=3, 3834/3.6=2...(7) Peak 7439 from nnoeabs.peaks (7.31, 8.38, 115.59 ppm; 4.80 A): 1 out of 4 assignments used, quality = 0.99: * QD TYR 115 + H LEU 116 OK 99 100 - 99 - 4.8=99 H ASP 30 - H LEU 116 OK 36 100 - 36 - 4.4/10288=13, 3835/3.6=7...(7) H ARG 35 - H LEU 116 OK 24 98 - 24 - 3.6/7444=4, 3835/3.6=4...(8) H PHE 67 - H LEU 116 OK 18 62 - 28 - 3835/3.6=6, 3843/4.7=5...(8) Peak 7441 from nnoeabs.peaks (4.73, 8.38, 115.59 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 116 + H LEU 116 OK 100 100 - 100 - 2.9=100 HA THR 51 - H LEU 116 OK 26 96 - 27 - 3863/3.9=4, 3871/3.9=4...(12) HA SER 127 - H LEU 116 OK 25 89 - 28 - 3863/3.9=5, 3871/3.9=4...(11) Peak 7442 from nnoeabs.peaks (1.04, 8.38, 115.59 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.94: * HB2 LEU 116 + H LEU 116 OK 90 100 - 90 - 3.9=70, 3.2/3894=22...(11) QG2 THR 110 + H LEU 116 OK 28 98 - 29 - 3872/3.9=5, 9290/4.9=4...(10) HG13 ILE 91 + H LEU 116 OK 19 77 - 25 - 3888/4.6=5, 3872/3.9=5...(8) Peak 7443 from nnoeabs.peaks (0.68, 8.38, 115.59 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LEU 116 + H LEU 116 OK 99 100 - 99 - 3.9=97, 1.8/7442=28...(11) QD2 LEU 66 - H LEU 116 OK 39 85 - 46 - 2.1/10294=7, 9900/3.9=6...(13) QD1 ILE 83 - H LEU 116 OK 33 99 - 34 - 10021/4.6=9, 10005/4.9=6...(8) QD2 LEU 39 - H LEU 116 OK 25 81 - 30 - 8121/3.9=5, 3.2/7445=5...(10) Peak 7444 from nnoeabs.peaks (1.40, 8.38, 115.59 ppm; 3.90 A): 2 out of 7 assignments used, quality = 0.95: * HG LEU 116 + H LEU 116 OK 90 100 - 90 - 4.9=51, 2.1/3894=34...(11) HD2 LYS 114 + H LEU 116 OK 44 98 - 45 - 10207/4.8=9, 5.9/9404=8...(13) HB2 ARG 35 - H LEU 116 OK 23 100 - 23 - 593/4.8=4, 3890/4.6=3...(8) HG2 LYS 36 - H LEU 116 OK 14 89 - 16 - 3890/4.6=3, 3874/3.9=3...(6) HG3 LYS 93 - H LEU 116 poor 10 77 - 13 - 3890/4.6=2, 3898/5.0=2...(5) HG2 LYS 24 - H LEU 116 lone 8 89 - 9 - 3890/4.6=1 HG2 LYS 86 - H LEU 116 lone 6 77 - 8 - 3.9/9381=3 Peak 7445 from nnoeabs.peaks (0.99, 8.38, 115.59 ppm; 3.41 A): 3 out of 3 assignments used, quality = 0.92: * QD1 LEU 116 + H LEU 116 OK 85 100 - 85 - 4.6=42, 2.1/3894=26...(11) HG12 ILE 136 + H LEU 116 OK 30 100 - 29 - 3867/3.9=5, 3875/3.9=5...(9) HB2 LEU 39 + H LEU 116 OK 19 89 - 22 - 3875/3.9=5, 3867/3.9=5...(7) Peak 7446 from nnoeabs.peaks (1.01, 8.38, 115.59 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.89: * QD2 LEU 116 + H LEU 116 OK 81 100 - 81 - 5.0=32, 2.1/3878=20...(12) QD2 LEU 69 + H LEU 116 OK 42 100 - 42 - 3876/3.9=8, 3868/3.9=8...(13) Peak 7448 from nnoeabs.peaks (8.40, 8.40, 120.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 117 + H TYR 117 OK 100 100 - 100 Peak 7450 from nnoeabs.peaks (4.73, 8.40, 120.32 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 116 + H TYR 117 OK 100 100 - 100 - 3.6=100 HA SER 127 - H TYR 117 OK 17 89 - 19 - 3863/4.5=5, 3871/4.5=5...(5) HA THR 51 - H TYR 117 OK 16 96 - 16 - 3863/4.5=4, 7441/4.5=4...(5) Peak 7451 from nnoeabs.peaks (1.04, 8.40, 120.32 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.93: * HB2 LEU 116 + H TYR 117 OK 93 100 - 93 - 4.5=79, 3.2/3901=20...(8) QG2 THR 110 - H TYR 117 OK 23 98 - 23 - 3872/4.5=6, 7442/4.5=5...(7) HG13 ILE 91 - H TYR 117 OK 15 77 - 20 - 3872/4.5=6, 7442/4.5=4...(6) Peak 7452 from nnoeabs.peaks (0.68, 8.40, 120.32 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LEU 116 + H TYR 117 OK 99 100 - 99 - 4.5=97, 1.8/7451=30...(9) QD2 LEU 66 - H TYR 117 OK 29 85 - 33 - 9900/4.5=7, 3857/3.6=6...(10) QD1 ILE 83 - H TYR 117 OK 26 99 - 27 - 3857/3.6=6, 3865/4.5=5...(8) QD2 LEU 39 - H TYR 117 OK 20 81 - 24 - 8121/4.5=6, 3.2/7454=5...(7) Peak 7453 from nnoeabs.peaks (1.40, 8.40, 120.32 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.99: * HG LEU 116 + H TYR 117 OK 95 100 - 95 - 3878/4.5=44, 3.0/7451=35...(15) HG2 LYS 36 + H TYR 117 OK 58 89 - 65 - 10794/4.5=31...(9) HD2 LYS 114 + H TYR 117 OK 56 98 - 57 - 5.9/9312=17, 7444/4.5=11...(11) HB2 ARG 35 - H TYR 117 OK 37 100 - 37 - 11623/10538=8, 597/4.5=8...(9) HG3 LYS 93 - H TYR 117 OK 15 77 - 19 - 3874/4.5=4, 3866/4.5=4...(5) HG2 LYS 24 - H TYR 117 OK 14 89 - 16 - 3866/4.5=2, 7444/4.5=2...(5) HG2 LYS 86 - H TYR 117 poor 8 77 - 10 - 3874/4.5=2, 7444/4.5=2 Peak 7454 from nnoeabs.peaks (0.99, 8.40, 120.32 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.90: * QD1 LEU 116 + H TYR 117 OK 81 100 - 81 - 3893=26, 2.1/3901=24...(15) HG12 ILE 136 + H TYR 117 OK 34 100 - 34 - 3867/4.5=7, 3875/4.5=6...(11) HB2 LEU 39 + H TYR 117 OK 21 89 - 24 - 3875/4.5=6, 3867/4.5=6...(7) Peak 7455 from nnoeabs.peaks (1.01, 8.40, 120.32 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.93: * QD2 LEU 116 + H TYR 117 OK 86 100 - 86 - 3901=33, 3895/3.6=23...(15) QD2 LEU 69 + H TYR 117 OK 47 100 - 47 - 3876/4.5=10, 3868/4.5=10...(16) Peak 7456 from nnoeabs.peaks (4.75, 8.40, 120.32 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 117 + H TYR 117 OK 100 100 - 100 - 2.9=100 Peak 7457 from nnoeabs.peaks (3.45, 8.40, 120.32 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 117 + H TYR 117 OK 100 100 - 100 - 3.9=100 HB3 PHE 45 - H TYR 117 OK 26 77 - 34 - 11047/4.8=16...(4) HA LEU 42 - H TYR 117 OK 22 100 - 22 - 10732/4.5=5, 11701/4.8=4...(7) Peak 7458 from nnoeabs.peaks (3.22, 8.40, 120.32 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TYR 117 + H TYR 117 OK 100 100 - 100 - 3.9=100 HG3 MET 46 - H TYR 117 OK 22 100 - 22 - 3.3/10478=11, 3911/3.9=4...(5) HD3 ARG 124 - H TYR 117 lone 10 100 - 10 - 9480/10300=2, 4667/4.5=2 HD2 ARG 140 - H TYR 117 lone 8 98 - 8 - 3911/3.9=2, 4667/4.5=2 HD3 ARG 140 - H TYR 117 lone 8 100 - 8 - 3911/3.9=2, 5667/4.5=2 HD3 ARG 141 - H TYR 117 lone 1 77 - 1 - Peak 7459 from nnoeabs.peaks (7.14, 8.40, 120.32 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.84: * QD TYR 117 + H TYR 117 OK 80 98 - 81 - 4.5=79, 10246/11700=3...(5) QD PHE 106 + H TYR 117 OK 22 100 - 22 - 3912/3.9=7, 3918/3.9=7...(4) Peak 7461 from nnoeabs.peaks (7.86, 7.86, 121.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 119 + H TYR 119 OK 100 100 - 100 Peak 7462 from nnoeabs.peaks (4.28, 7.86, 121.00 ppm; 4.87 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 118 + H TYR 119 OK 100 100 - 100 - 3.6=100 HA ARG 140 - H TYR 119 OK 19 99 - 19 - 3956/4.3=8, 4705/4.3=6...(4) HA3 GLY 78 - H TYR 119 OK 12 100 - 12 - 1.8/7469=4, 2352/2.8=4...(4) HA ARG 49 - H TYR 119 OK 12 92 - 13 - 5.2/7469=4, 3956/4.3=2...(6) HA ARG 89 - H TYR 119 poor 7 72 - 10 - 3956/4.3=4, 3948/4.3=2 HA LEU 95 - H TYR 119 lone 4 89 - 5 - 11414/4.3=2 HA THR 18 - H TYR 119 lone 2 89 - 2 - HB THR 99 - H TYR 119 lone 2 62 - 3 - Peak 7463 from nnoeabs.peaks (1.92, 7.86, 121.00 ppm; 4.48 A): 2 out of 12 assignments used, quality = 1.00: * HB2 PRO 118 + H TYR 119 OK 100 100 - 100 - 4.3=100 HB3 LEU 132 + H TYR 119 OK 63 100 - 63 - 2.9/4476=13...(14) HB ILE 136 - H TYR 119 OK 27 89 - 31 - 3.9/7743=5, ~9669=4...(10) HB2 ARG 140 - H TYR 119 OK 17 96 - 17 - 3941/3.6=5, 3957/4.3=4 HG2 PRO 12 - H TYR 119 OK 15 98 - 15 - 10666/4.3=4, 3941/3.6=3...(4) HG3 PRO 12 - H TYR 119 OK 12 100 - 12 - 11051/4.3=3, 3941/3.6=3, ~3989=1 HB2 ARG 89 - H TYR 119 poor 8 77 - 10 - 2859/3.6=4, 3957/4.3=2 HB2 GLN 62 - H TYR 119 lone 7 98 - 8 - 8347/10411=1, 9436/4.7=1 HG13 ILE 83 - H TYR 119 lone 7 94 - 8 - QE MET 68 - H TYR 119 lone 6 68 - 9 - 8420/3.6=2, 1995/4.3=1 HB2 LYS 86 - H TYR 119 lone 5 98 - 6 - HB2 MET 59 - H TYR 119 lone 5 100 - 5 - Peak 7464 from nnoeabs.peaks (2.42, 7.86, 121.00 ppm; 4.30 A): 1 out of 7 assignments used, quality = 1.00: * HB3 PRO 118 + H TYR 119 OK 100 100 - 100 - 4.3=100 HG3 GLN 133 - H TYR 119 OK 41 100 - 41 - 4.5/7692=9, 4.0/7467=9...(8) HG2 GLN 133 - H TYR 119 OK 41 100 - 41 - 4.5/7692=9, 4.0/7467=9...(8) QE MET 46 - H TYR 119 OK 35 100 - 35 - 10693/2.8=14...(7) HG2 GLN 47 - H TYR 119 lone 8 94 - 8 - 3942/3.6=2, 3950/4.3=2 HG3 GLN 47 - H TYR 119 lone 8 94 - 8 - 3942/3.6=2, 3950/4.3=2 HG2 MET 68 - H TYR 119 lone 6 77 - 8 - 3942/3.6=2, 3950/4.3=1 Peak 7465 from nnoeabs.peaks (2.09, 7.86, 121.00 ppm; 4.51 A): 6 out of 12 assignments used, quality = 0.90: HG2 GLU 122 + H TYR 119 OK 56 89 - 63 - ~4064=11, ~3989=9...(13) * HG2 PRO 118 + H TYR 119 OK 51 100 - 51 - 2.3/7464=16, 1.8/7466=12...(9) HG3 PRO 33 + H TYR 119 OK 26 100 - 26 - 3959/4.3=6, 3943/3.6=6...(8) HB3 LYS 36 + H TYR 119 OK 20 99 - 20 - 4.5/10304=5, 3959/4.3=4...(5) HG2 PRO 33 + H TYR 119 OK 14 72 - 19 - 3959/4.3=4, 3951/4.3=4...(6) HB VAL 53 + H TYR 119 OK 11 81 - 13 - 3959/4.3=3, 3943/3.6=3...(4) HB2 GLU 131 - H TYR 119 lone 10 100 - 10 - 3.0/10391=3...(3) HB3 GLN 25 - H TYR 119 lone 7 89 - 8 - 3943/3.6=2, 215/4.3=2 HB2 LEU 26 - H TYR 119 lone 4 68 - 6 - 3.0/7468=2 HB3 LYS 61 - H TYR 119 lone 4 72 - 6 - HB2 PRO 129 - H TYR 119 lone 3 85 - 3 - HB3 GLU 142 - H TYR 119 lone 2 85 - 3 - Peak 7466 from nnoeabs.peaks (2.14, 7.86, 121.00 ppm; 4.48 A): 5 out of 5 assignments used, quality = 0.92: * HG3 PRO 118 + H TYR 119 OK 57 100 - 57 - 2.3/7464=16, 2.3/7467=10...(11) HB2 GLN 133 + H TYR 119 OK 51 96 - 53 - 3.0/7467=11, 4.0/7692=11...(11) HB3 GLN 133 + H TYR 119 OK 50 94 - 53 - 3.0/7467=11, 4.0/7692=11...(10) HG2 GLN 111 + H TYR 119 OK 19 92 - 21 - 1.8/7471=5, 3641/3.9=4...(6) HG2 GLU 81 + H TYR 119 OK 10 100 - 10 - 3960/4.3=2, 3944/3.6=2 Peak 7467 from nnoeabs.peaks (3.83, 7.86, 121.00 ppm; 4.84 A): 4 out of 8 assignments used, quality = 0.90: HA GLN 133 + H TYR 119 OK 69 99 - 70 - 2.8/7692=15, 3.6/7724=11...(18) * HD2 PRO 118 + H TYR 119 OK 56 100 - 56 - 3.0/7464=16, 2.3/7466=12...(9) HB2 SER 100 + H TYR 119 OK 15 100 - 15 - 3311/3.6=3, 9163/4.3=3 HA LEU 66 + H TYR 119 OK 10 98 - 11 - 11049/3.6=2...(4) HA ALA 104 - H TYR 119 poor 9 81 - 11 - ~9198=3, 11049/3.6=1 HA MET 68 - H TYR 119 poor 8 72 - 12 - 3961/4.3=2, 1955/4.3=2 HB2 SER 127 - H TYR 119 lone 5 68 - 7 - 4320/11085=1 HA3 GLY 50 - H TYR 119 lone 3 92 - 4 - 3961/4.3=1 Peak 7468 from nnoeabs.peaks (4.06, 7.86, 121.00 ppm; 5.24 A): 5 out of 8 assignments used, quality = 0.89: * HD3 PRO 118 + H TYR 119 OK 60 100 - 60 - 3.0/7464=18...(8) HA LEU 132 + H TYR 119 OK 51 77 - 67 - 3.6/7692=15...(13) HD2 PRO 33 + H TYR 119 OK 20 72 - 28 - 2.3/7465=6, 10992/3.9=5...(8) HA LYS 34 + H TYR 119 OK 18 89 - 20 - 8097/10305=7, 3962/4.3=2...(5) HA LEU 26 + H TYR 119 OK 13 96 - 14 - 10547/10411=2...(4) HA VAL 53 - H TYR 119 poor 9 62 - 15 - 3954/4.3=3, 9843/4.3=2...(5) HA LYS 24 - H TYR 119 lone 8 98 - 8 - 3962/4.3=2, 3954/4.3=1 HA GLU 90 - H TYR 119 lone 6 77 - 8 - 4.9/7462=1 Peak 7469 from nnoeabs.peaks (3.08, 7.86, 121.00 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HA TYR 119 + H TYR 119 OK 100 100 - 100 - 2.8=100 HD3 ARG 49 - H TYR 119 OK 20 99 - 20 - 3991/3.9=2, 11511/4.3=2...(9) HA2 GLY 78 - H TYR 119 OK 12 100 - 12 - 1.8/7462=2, 3991/3.9=2...(6) HB3 TRP 88 - H TYR 119 poor 6 62 - 10 - 4.2/10304=4, 3.0/9424=2 HB3 ASP 30 - H TYR 119 lone 1 62 - 1 - Peak 7470 from nnoeabs.peaks (2.90, 7.86, 121.00 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.91: * HB2 TYR 119 + H TYR 119 OK 90 100 - 90 - 3.9=80, 1.8/7471=24...(6) HB3 ASP 32 + H TYR 119 OK 11 94 - 11 - 3982/2.8=3, 3999/3.9=2...(5) HD2 ARG 35 - H TYR 119 lone 1 62 - 1 - Peak 7471 from nnoeabs.peaks (2.78, 7.86, 121.00 ppm; 3.62 A): 3 out of 5 assignments used, quality = 0.93: * HB3 TYR 119 + H TYR 119 OK 89 100 - 89 - 3.9=78, 1.8/7470=32...(6) HB3 ASN 84 + H TYR 119 OK 25 100 - 25 - 3983/2.8=6, 3999/3.9=5...(7) HG3 GLN 111 + H TYR 119 OK 14 100 - 14 - 3983/2.8=4, 3993/3.9=3...(5) HB2 ASP 41 - H TYR 119 lone 7 85 - 8 - 3983/2.8=2, 4674/4.0=2...(4) HB2 ASN 128 - H TYR 119 lone 3 62 - 4 - 8148/9420=1 Peak 7472 from nnoeabs.peaks (6.31, 7.86, 121.00 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + H TYR 119 OK 100 100 - 100 - 4.0=100 Peak 7474 from nnoeabs.peaks (9.05, 7.86, 121.00 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.69: * H GLU 120 + H TYR 119 OK 69 100 - 69 - 4.7=49, 4.4/7470=17...(7) Peak 7476 from nnoeabs.peaks (9.05, 9.05, 120.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 120 + H GLU 120 OK 100 100 - 100 Peak 7477 from nnoeabs.peaks (7.86, 9.05, 120.42 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.85: * H TYR 119 + H GLU 120 OK 82 100 - 82 - 4.7=67, 7470/4.4=21...(7) H ALA 135 + H GLU 120 OK 15 100 - 15 - 3980/3.6=6, 3990/4.4=4 H ARG 55 - H GLU 120 lone 1 62 - 1 - Peak 7478 from nnoeabs.peaks (3.08, 9.05, 120.42 ppm; 4.71 A): 1 out of 5 assignments used, quality = 1.00: * HA TYR 119 + H GLU 120 OK 100 100 - 100 - 3.6=100 HD3 ARG 49 - H GLU 120 OK 19 99 - 19 - 7492/4.0=4, 7469/4.7=4...(6) HA2 GLY 78 - H GLU 120 OK 14 100 - 14 - 7492/4.0=4, 7469/4.7=3...(5) HB3 TRP 88 - H GLU 120 poor 10 62 - 16 - 3.0/4004=5, ~2830=2...(7) HB3 ASP 30 - H GLU 120 lone 1 62 - 2 - Peak 7479 from nnoeabs.peaks (2.90, 9.05, 120.42 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 119 + H GLU 120 OK 100 100 - 100 - 4.4=100 HB3 ASP 32 - H GLU 120 OK 11 94 - 12 - 3982/3.6=4, 7470/4.7=3...(4) HD2 ARG 35 - H GLU 120 lone 1 62 - 2 - Peak 7480 from nnoeabs.peaks (2.78, 9.05, 120.42 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.96: * HB3 TYR 119 + H GLU 120 OK 94 100 - 94 - 4.4=90, 3.9/7474=29...(6) HB3 ASN 84 + H GLU 120 OK 36 100 - 36 - 3983/3.6=7, 3999/4.4=7...(10) HG3 GLN 111 - H GLU 120 OK 15 100 - 15 - 3983/3.6=5, 3993/4.4=3...(5) HB2 ASP 41 - H GLU 120 OK 11 85 - 13 - 3983/3.6=2, 4674/5.0=2...(4) HB2 ASN 128 - H GLU 120 lone 3 62 - 4 - 8148/9439=1 Peak 7481 from nnoeabs.peaks (6.31, 9.05, 120.42 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + H GLU 120 OK 100 100 - 100 - 5.0=100 Peak 7483 from nnoeabs.peaks (4.16, 9.05, 120.42 ppm; 4.22 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 120 + H GLU 120 OK 100 100 - 100 - 2.9=100 HA PHE 38 - H GLU 120 OK 34 96 - 36 - 3.0/7485=5, 789/3.6=5...(16) HA TRP 88 - H GLU 120 OK 23 94 - 25 - 4004=5, 9424/4.7=3...(10) HA LEU 126 - H GLU 120 OK 13 68 - 19 - 3.9/9438=7, 10252/4.9=2...(7) HB2 SER 44 - H GLU 120 OK 12 100 - 12 - 11500/3.6=2, 4015/3.6=2...(5) HA LYS 76 - H GLU 120 OK 12 81 - 14 - ~4013=3, 4015/3.6=1...(7) HB3 SER 44 - H GLU 120 OK 12 100 - 12 - 11500/3.6=2, 4015/3.6=2...(5) HA3 GLY 125 - H GLU 120 poor 9 89 - 11 - 7494/4.0=3, ~4260=2, ~4260=2 HG1 THR 74 - H GLU 120 lone 7 94 - 7 - 3.0/9438=3, 7494/4.0=1 HA LEU 64 - H GLU 120 lone 7 92 - 7 - 7494/4.0=1 Peak 7484 from nnoeabs.peaks (2.61, 9.05, 120.42 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 120 + H GLU 120 OK 100 100 - 100 - 3.6=100 Peak 7485 from nnoeabs.peaks (2.72, 9.05, 120.42 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 120 + H GLU 120 OK 100 100 - 100 - 3.6=100 HB2 PHE 38 - H GLU 120 OK 28 100 - 29 - 800/2.9=5, 4017/3.6=5...(11) HB3 MET 46 - H GLU 120 OK 25 98 - 26 - 7496/4.0=7, 4007/2.9=6...(7) HB2 ASN 84 - H GLU 120 OK 18 85 - 21 - 1.8/7480=8, 2557/4.4=5...(5) HB3 TYR 70 - H GLU 120 OK 11 100 - 11 - 4007/2.9=3, 4017/3.6=3...(5) HB2 ASN 96 - H GLU 120 lone 2 77 - 2 - Peak 7486 from nnoeabs.peaks (2.30, 9.05, 120.42 ppm; 4.92 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 120 + H GLU 120 OK 100 100 - 100 - 4.9=100 HG3 GLU 75 - H GLU 120 OK 35 85 - 42 - 4008/2.9=7, 4039/4.9=7...(9) HG3 GLN 62 - H GLU 120 OK 11 92 - 12 - 4008/2.9=2, 7497/4.0=2...(6) HG3 GLU 81 - H GLU 120 poor 9 77 - 12 - 7497/4.0=3, 4025/3.6=2...(5) HG2 GLN 62 - H GLU 120 poor 9 81 - 11 - 4008/2.9=2, 2.9/9436=2...(6) Peak 7487 from nnoeabs.peaks (2.32, 9.05, 120.42 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 120 + H GLU 120 OK 100 100 - 100 - 4.9=100 HG2 GLU 142 - H GLU 120 OK 33 94 - 35 - 4009/2.9=9, 4019/3.6=7...(8) Peak 7488 from nnoeabs.peaks (8.54, 9.05, 120.42 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 121 + H GLU 120 OK 100 100 - 100 - 4.0=100 H MET 46 - H GLU 120 OK 21 98 - 21 - 4010/2.9=6, 6387/3.6=4...(7) H GLN 111 - H GLU 120 lone 3 68 - 5 - 4.7/7480=2, 7331/4.4=1 Peak 7490 from nnoeabs.peaks (8.54, 8.54, 116.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 121 + H CYS 121 OK 100 100 - 100 Peak 7492 from nnoeabs.peaks (3.08, 8.54, 116.13 ppm; 5.99 A): 4 out of 5 assignments used, quality = 0.91: * HA TYR 119 + H CYS 121 OK 76 100 - 76 - 3.6/7493=47, 3987/3.1=27...(8) HD3 ARG 49 + H CYS 121 OK 34 99 - 35 - 7505/3.1=13, ~7515=6...(9) HA2 GLY 78 + H CYS 121 OK 29 100 - 29 - 1.8/9451=9, 7505/3.1=6...(7) HB3 TRP 88 + H CYS 121 OK 14 62 - 22 - 3.0/4010=4, ~7507=3...(9) HB3 ASP 30 - H CYS 121 lone 2 62 - 3 - Peak 7493 from nnoeabs.peaks (9.05, 8.54, 116.13 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.97: * H GLU 120 + H CYS 121 OK 97 100 - 97 - 4.0=91, 3.6/7495=25...(9) Peak 7494 from nnoeabs.peaks (4.16, 8.54, 116.13 ppm; 3.56 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 120 + H CYS 121 OK 100 100 - 100 - 3.6=99, 2.9/7493=25...(12) HA3 GLY 125 - H CYS 121 OK 18 89 - 21 - ~10317=13, ~10314=5 HA TRP 88 - H CYS 121 OK 14 94 - 15 - 7507/3.1=2, 4004/4.0=2...(4) HA PHE 38 - H CYS 121 OK 14 96 - 14 - 3.0/7496=3, 7483/4.0=3...(5) HB2 SER 44 - H CYS 121 OK 13 100 - 13 - 4.6/6371=3, 3.9/6355=3...(5) HB3 SER 44 - H CYS 121 OK 12 100 - 12 - 4.6/6371=3, 3.9/6355=3...(5) HA LEU 126 - H CYS 121 OK 10 68 - 16 - ~10313=9, 3.9/9450=2 HG1 THR 74 - H CYS 121 lone 8 94 - 8 - 3.0/9450=3, ~8618=2, 7507/3.1=1 HA LEU 64 - H CYS 121 lone 8 92 - 8 - 7507/3.1=2, 4048/4.1=1 HA LYS 76 - H CYS 121 lone 7 81 - 8 - 7507/3.1=2, 8903/8907=1 Peak 7495 from nnoeabs.peaks (2.61, 8.54, 116.13 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.88: * HB2 GLU 120 + H CYS 121 OK 88 100 - 88 - 4.6=63, 3.6/7493=25...(9) Peak 7496 from nnoeabs.peaks (2.72, 8.54, 116.13 ppm; 3.45 A): 3 out of 6 assignments used, quality = 0.90: * HB3 GLU 120 + H CYS 121 OK 79 100 - 79 - 4.6=42, 1.8/7495=29...(9) HB3 MET 46 + H CYS 121 OK 43 98 - 44 - 3.0/1040=6, 3.0/1074=6...(15) HB2 PHE 38 + H CYS 121 OK 14 100 - 14 - 800/3.6=3, 4017/4.6=3...(4) HB2 ASN 84 - H CYS 121 poor 9 85 - 10 - 4007/3.6=2, 7485/4.0=2...(4) HB3 TYR 70 - H CYS 121 lone 7 100 - 7 - 4007/3.6=2, 4017/4.6=2 HB2 ASN 96 - H CYS 121 lone 2 77 - 3 - Peak 7497 from nnoeabs.peaks (2.30, 8.54, 116.13 ppm; 5.11 A): 3 out of 5 assignments used, quality = 0.87: * HG2 GLU 120 + H CYS 121 OK 80 100 - 80 - 3.0/7495=43, 4.9/7493=31...(10) HG3 GLU 75 + H CYS 121 OK 22 85 - 26 - 4008/3.6=6, 7486/4.0=6...(5) HG3 GLU 81 + H CYS 121 OK 17 77 - 22 - 3.0/9448=5, ~2461=3...(9) HG3 GLN 62 - H CYS 121 lone 9 92 - 10 - 4008/3.6=2, 7486/4.0=2...(4) HG2 GLN 62 - H CYS 121 lone 7 81 - 9 - 4008/3.6=2, 7486/4.0=2...(4) Peak 7498 from nnoeabs.peaks (2.32, 8.54, 116.13 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.85: * HG3 GLU 120 + H CYS 121 OK 80 100 - 80 - 3.0/7495=43, 4.9/7493=31...(10) HG2 GLU 142 + H CYS 121 OK 26 94 - 28 - 4009/3.6=8, 4019/4.6=7...(4) Peak 7499 from nnoeabs.peaks (4.19, 8.54, 116.13 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 121 + H CYS 121 OK 100 100 - 100 - 2.9=100 HA PHE 43 - H CYS 121 OK 22 77 - 28 - 970=6, 3.6/6355=4...(12) HA PHE 67 - H CYS 121 OK 18 92 - 20 - 7509/3.1=4, 4053/4.1=2...(8) HA LEU 64 - H CYS 121 lone 4 62 - 6 - Peak 7500 from nnoeabs.peaks (2.87, 8.54, 116.13 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.89: * HB2 CYS 121 + H CYS 121 OK 89 100 - 89 - 4.1=74, 1.8/7501=25...(7) Peak 7501 from nnoeabs.peaks (2.71, 8.54, 116.13 ppm; 3.45 A): 3 out of 5 assignments used, quality = 0.91: * HB3 CYS 121 + H CYS 121 OK 83 100 - 83 - 4.1=60, 1.8/7500=32...(6) HB3 MET 46 + H CYS 121 OK 37 81 - 45 - 3.0/1040=6, 4045/2.9=6...(13) HB2 ASN 84 + H CYS 121 OK 12 96 - 12 - 4007/3.6=2, 4045/2.9=2...(5) HB2 ASP 137 - H CYS 121 lone 1 68 - 1 - HB3 ASP 16 - H CYS 121 lone 1 77 - 1 - Peak 7502 from nnoeabs.peaks (7.64, 8.54, 116.13 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 122 + H CYS 121 OK 100 100 - 100 - 3.1=100 H LEU 66 - H CYS 121 OK 12 100 - 12 - 4056/4.1=3, 4.8/9448=2...(5) H VAL 82 - H CYS 121 OK 11 98 - 11 - 4.6/9448=2, 11401/8907=2...(5) HD21 ASN 130 - H CYS 121 lone 5 98 - 5 - H LEU 97 - H CYS 121 lone 2 62 - 3 - H LYS 93 - H CYS 121 lone 1 62 - 2 - Peak 7503 from nnoeabs.peaks (8.46, 8.54, 116.13 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.64: * H LYS 123 + H CYS 121 OK 64 100 - 64 - 7521=41, 7522/2.9=18...(6) H GLY 15 - H CYS 121 lone 8 94 - 9 - 7517/3.1=6 Peak 7504 from nnoeabs.peaks (7.64, 7.64, 119.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 122 + H GLU 122 OK 100 100 - 100 Peak 7505 from nnoeabs.peaks (3.08, 7.64, 119.50 ppm; 4.35 A): 3 out of 5 assignments used, quality = 0.84: * HA TYR 119 + H GLU 122 OK 68 100 - 68 - 3987=27, 4064/4.0=16...(12) HD3 ARG 49 + H GLU 122 OK 39 99 - 39 - 4064/4.0=8, 4072/4.0=8...(11) HA2 GLY 78 + H GLU 122 OK 17 100 - 17 - 7492/3.1=3, ~9451=3...(6) HB3 TRP 88 - H GLU 122 poor 8 62 - 13 - 3.0/7507=3, ~7520=2...(6) HB3 ASP 30 - H GLU 122 lone 1 62 - 2 - Peak 7507 from nnoeabs.peaks (4.16, 7.64, 119.50 ppm; 4.03 A): 3 out of 10 assignments used, quality = 0.67: * HA GLU 120 + H GLU 122 OK 57 100 - 57 - 7494/3.1=16, ~7493=13...(10) HA LYS 76 + H GLU 122 OK 13 81 - 16 - 7520/3.1=4, ~7531=3...(5) HA TRP 88 + H GLU 122 OK 12 94 - 13 - 7520/3.1=3, 7494/3.1=2 HA LEU 64 - H GLU 122 lone 9 92 - 9 - 7494/3.1=1, 3.6/6631=1...(4) HA PHE 38 - H GLU 122 lone 8 96 - 8 - 7494/3.1=2, 7520/3.1=1...(4) HG1 THR 74 - H GLU 122 lone 7 94 - 7 - ~9450=2, 7494/3.1=1, 7520/3.1=1 HB2 SER 44 - H GLU 122 lone 6 100 - 6 - 7494/3.1=2, ~7494=1 HB3 SER 44 - H GLU 122 lone 6 100 - 6 - 7494/3.1=2, ~7494=1 HA3 GLY 125 - H GLU 122 lone 4 89 - 4 - 7494/3.1=3 HA LEU 126 - H GLU 122 lone 3 68 - 4 - 7494/3.1=2 Peak 7508 from nnoeabs.peaks (8.54, 7.64, 119.50 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 121 + H GLU 122 OK 100 100 - 100 - 3.1=100 H MET 46 - H GLU 122 OK 29 98 - 29 - 4042/3.6=7, 4052/4.7=5...(8) H GLN 111 - H GLU 122 lone 3 68 - 5 - Peak 7509 from nnoeabs.peaks (4.19, 7.64, 119.50 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 121 + H GLU 122 OK 100 100 - 100 - 3.6=100 HA PHE 67 - H GLU 122 OK 19 92 - 21 - 2.8/6646=5, 7499/3.1=4...(8) HA PHE 43 - H GLU 122 OK 10 77 - 14 - 7499/3.1=5, 4053/4.7=3...(5) HA LEU 64 - H GLU 122 lone 5 62 - 8 - 3.6/6631=1 Peak 7510 from nnoeabs.peaks (2.87, 7.64, 119.50 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.85: * HB2 CYS 121 + H GLU 122 OK 85 100 - 85 - 4.7=63, 7500/3.1=31...(5) Peak 7511 from nnoeabs.peaks (2.71, 7.64, 119.50 ppm; 4.04 A): 3 out of 5 assignments used, quality = 0.93: * HB3 CYS 121 + H GLU 122 OK 88 100 - 88 - 4.7=65, 1.8/7510=38...(5) HB3 MET 46 + H GLU 122 OK 31 81 - 38 - 7501/3.1=9, 4045/3.6=7...(8) HB2 ASN 84 + H GLU 122 OK 12 96 - 13 - 7501/3.1=3, 4045/3.6=2...(4) HB2 ASP 137 - H GLU 122 lone 2 68 - 2 - HB3 ASP 16 - H GLU 122 lone 1 77 - 1 - Peak 7512 from nnoeabs.peaks (4.00, 7.64, 119.50 ppm; 3.25 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 122 + H GLU 122 OK 100 100 - 100 - 3.0=100 HA LEU 69 - H GLU 122 OK 20 100 - 20 - 4057=4, 4074/4.0=2...(7) HA LYS 114 - H GLU 122 OK 13 100 - 13 - 4057=2, 7524/3.1=2...(4) HB2 SER 138 - H GLU 122 OK 12 100 - 12 - 4066/4.0=2, 4074/4.0=2...(5) HB3 SER 138 - H GLU 122 OK 12 100 - 12 - 4066/4.0=2, 4074/4.0=2...(5) HA MET 113 - H GLU 122 lone 9 100 - 9 - 4066/4.0=1, 4074/4.0=1 HB3 SER 100 - H GLU 122 lone 2 72 - 3 - HB3 SER 127 - H GLU 122 lone 2 81 - 2 - HB2 SER 103 - H GLU 122 lone 2 72 - 2 - Peak 7513 from nnoeabs.peaks (1.51, 7.64, 119.50 ppm; 3.08 A): 2 out of 7 assignments used, quality = 0.89: * HB2 GLU 122 + H GLU 122 OK 80 100 - 80 - 4.0=44, 1.8/4073=18...(18) HB2 LYS 123 + H GLU 122 OK 47 94 - 50 - 7525/3.1=9, ~7532=6...(16) HG3 LYS 85 - H GLU 122 poor 9 81 - 11 - 3.0/9460=4 HG2 LYS 34 - H GLU 122 poor 9 85 - 10 - ~9447=2, 4075/4.0=2...(4) HG3 PRO 57 - H GLU 122 lone 9 89 - 10 - ~10587=2, 7525/3.1=2...(4) QB ALA 135 - H GLU 122 poor 8 68 - 11 - 7530/3.1=2, 4075/4.0=1 HB2 LEU 29 - H GLU 122 lone 3 62 - 4 - Peak 7514 from nnoeabs.peaks (1.94, 7.64, 119.50 ppm; 3.23 A): 3 out of 9 assignments used, quality = 0.92: * HB3 GLU 122 + H GLU 122 OK 85 100 - 85 - 4.0=51, 1.8/4065=20...(19) HG2 PRO 52 + H GLU 122 OK 29 100 - 30 - 1.8/7516=6, 4068/4.0=5...(12) HB3 PRO 52 + H GLU 122 OK 28 99 - 28 - 2.3/7516=5, 4068/4.0=5...(12) HB3 PRO 98 - H GLU 122 lone 4 85 - 4 - HB2 ARG 89 - H GLU 122 lone 4 92 - 4 - HB2 GLN 62 - H GLU 122 lone 3 62 - 4 - HB ILE 56 - H GLU 122 lone 2 68 - 3 - HG2 PRO 12 - H GLU 122 lone 1 62 - 2 - HB2 ARG 140 - H GLU 122 lone 1 68 - 2 - Peak 7515 from nnoeabs.peaks (2.08, 7.64, 119.50 ppm; 3.79 A): 4 out of 10 assignments used, quality = 0.93: * HG2 GLU 122 + H GLU 122 OK 88 100 - 88 - 5.2=39, 3.0/4073=20...(18) HD2 ARG 49 + H GLU 122 OK 27 94 - 28 - 1.8/7505=9, 4069/4.0=3...(9) HB3 LYS 61 + H GLU 122 OK 15 99 - 15 - 4077/4.0=3, ~9447=3...(7) HB2 LEU 26 + H GLU 122 OK 11 98 - 12 - 3.0/9460=2, 4069/4.0=2...(6) HB2 PRO 129 - H GLU 122 lone 8 100 - 8 - 4069/4.0=2, 4077/4.0=2 HG3 PRO 33 - H GLU 122 lone 8 81 - 9 - 10997/4.0=2, 4077/4.0=2...(4) HB3 GLN 62 - H GLU 122 lone 6 89 - 6 - HB2 GLU 131 - H GLU 122 lone 5 89 - 6 - 4069/4.0=1, 4077/4.0=1 HG2 PRO 118 - H GLU 122 lone 5 89 - 6 - 11552/3987=1 HB3 LYS 36 - H GLU 122 lone 3 72 - 4 - Peak 7516 from nnoeabs.peaks (2.00, 7.64, 119.50 ppm; 3.61 A): 5 out of 10 assignments used, quality = 0.94: * HG3 GLU 122 + H GLU 122 OK 86 100 - 86 - 5.2=34, 3.0/4073=18...(21) HG3 PRO 52 + H GLU 122 OK 37 100 - 38 - 1.8/7514=8, 2.3/7514=6...(10) HB3 GLU 37 + H GLU 122 OK 15 96 - 15 - 4070/4.0=2, 4078/4.0=2...(7) HB2 GLU 37 + H GLU 122 OK 13 89 - 15 - 4070/4.0=2, 4078/4.0=2...(8) QE MET 113 + H GLU 122 OK 11 77 - 14 - 9330/9452=2, 4062/3.0=2...(5) HB3 GLU 90 - H GLU 122 lone 8 100 - 8 - 4070/4.0=1, 4078/4.0=1 HB VAL 63 - H GLU 122 poor 7 68 - 10 - 4062/3.0=1, ~11533=1...(5) HB2 GLN 111 - H GLU 122 lone 6 94 - 7 - QE MET 11 - H GLU 122 lone 6 100 - 6 - 10945/4.7=1 QE MET 59 - H GLU 122 lone 2 62 - 3 - Peak 7517 from nnoeabs.peaks (8.46, 7.64, 119.50 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 123 + H GLU 122 OK 100 100 - 100 - 3.1=100 H GLY 15 - H GLU 122 OK 19 94 - 20 - 4071/4.0=4, 4079/4.0=4...(7) Peak 7518 from nnoeabs.peaks (8.46, 8.46, 114.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + H LYS 123 OK 100 100 - 100 Peak 7519 from nnoeabs.peaks (3.08, 8.46, 114.87 ppm; 6.31 A): 2 out of 5 assignments used, quality = 0.93: * HA TYR 119 + H LYS 123 OK 87 100 - 87 - 3987/3.1=29, 4064/4.7=27...(15) HD3 ARG 49 + H LYS 123 OK 49 99 - 49 - 4064/4.7=14, 4072/4.7=14...(7) HA2 GLY 78 - H LYS 123 OK 23 100 - 23 - 7505/3.1=6, 8706/7533=5...(5) HB3 TRP 88 - H LYS 123 OK 14 62 - 23 - 3.0/7520=6, 8927/6.1=4...(8) HB3 ASP 30 - H LYS 123 lone 2 62 - 3 - Peak 7520 from nnoeabs.peaks (4.16, 8.46, 114.87 ppm; 5.08 A): 5 out of 10 assignments used, quality = 0.90: * HA GLU 120 + H LYS 123 OK 72 100 - 72 - 3.6/7503=31, 7507/3.1=19...(7) HA LYS 76 + H LYS 123 OK 37 81 - 45 - 4117/3.9=11, 4105/3.9=10...(9) HA TRP 88 + H LYS 123 OK 25 94 - 27 - 8930/5.0=7, 10067/3.9=5...(8) HG1 THR 74 + H LYS 123 OK 11 94 - 12 - 5.1/7538=4, 7507/3.1=2...(5) HA PHE 38 + H LYS 123 OK 11 96 - 12 - 4.9/7529=3, 7507/3.1=3...(6) HB2 SER 44 - H LYS 123 lone 9 100 - 9 - 7507/3.1=2, 4117/3.9=1...(4) HA LEU 64 - H LYS 123 lone 9 92 - 9 - 7507/3.1=3, 4105/3.9=2, ~6609=2 HB3 SER 44 - H LYS 123 lone 9 100 - 9 - 7507/3.1=2, ~7507=2...(4) HA3 GLY 125 - H LYS 123 lone 6 89 - 7 - 4117/3.9=1, 7494/7503=1...(4) HA LEU 126 - H LYS 123 lone 6 68 - 9 - 4.3/7531=2, 4105/3.9=2 Peak 7521 from nnoeabs.peaks (8.54, 8.46, 114.87 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.68: * H CYS 121 + H LYS 123 OK 63 100 - 64 - 7503=42, 2.9/7522=18...(6) H MET 46 + H LYS 123 OK 12 98 - 12 - 7508/3.1=8, 4042/7522=2 H GLN 111 - H LYS 123 lone 2 68 - 3 - Peak 7522 from nnoeabs.peaks (4.19, 8.46, 114.87 ppm; 5.33 A): 3 out of 4 assignments used, quality = 0.87: * HA CYS 121 + H LYS 123 OK 82 100 - 82 - 2.9/7503=37, ~7510=25...(9) HA PHE 67 + H LYS 123 OK 14 92 - 16 - 7509/3.1=6, ~6646=4...(5) HA PHE 43 + H LYS 123 OK 11 77 - 14 - 10829/10190=5...(5) HA LEU 64 - H LYS 123 lone 5 62 - 8 - 9488/4.7=3, ~6609=2, 7509/3.1=2 Peak 7523 from nnoeabs.peaks (7.64, 8.46, 114.87 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 122 + H LYS 123 OK 100 100 - 100 - 3.1=100 H VAL 82 - H LYS 123 OK 21 98 - 21 - 6888/2.9=3, 3.6/7529=2...(10) H LEU 66 - H LYS 123 OK 18 100 - 18 - 10336/4.7=3, 3.9/7531=3...(9) HD21 ASN 130 - H LYS 123 OK 12 98 - 12 - 4073/4.7=3, 4065/4.7=3 H LYS 93 - H LYS 123 lone 3 62 - 5 - H LEU 97 - H LYS 123 lone 2 62 - 2 - Peak 7524 from nnoeabs.peaks (4.00, 8.46, 114.87 ppm; 3.57 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 122 + H LYS 123 OK 100 100 - 100 - 3.6=100 HA LYS 114 - H LYS 123 OK 14 100 - 14 - 4063=3, 7512/3.1=2...(7) HA LEU 69 - H LYS 123 OK 13 100 - 13 - 7512/3.1=3, 4063=3...(4) HB2 SER 138 - H LYS 123 OK 13 100 - 13 - 9721/3.9=4, 4066/4.7=2...(5) HB3 SER 138 - H LYS 123 OK 13 100 - 13 - 9721/3.9=4, 4066/4.7=2...(5) HA MET 113 - H LYS 123 lone 7 100 - 7 - 7512/3.1=2, 4066/4.7=1...(4) HB3 SER 100 - H LYS 123 lone 4 72 - 5 - HB2 SER 103 - H LYS 123 lone 3 72 - 4 - HB3 SER 127 - H LYS 123 lone 2 81 - 2 - Peak 7525 from nnoeabs.peaks (1.51, 8.46, 114.87 ppm; 3.28 A): 2 out of 7 assignments used, quality = 0.97: HB2 LYS 123 + H LYS 123 OK 84 94 - 89 - 3.9=59, 3.0/7532=21...(17) * HB2 GLU 122 + H LYS 123 OK 79 100 - 79 - 4.7=35, 1.8/4079=19...(21) HG3 PRO 57 - H LYS 123 OK 16 89 - 18 - 4096/2.9=3, 4120/3.9=3...(8) HG2 LYS 34 - H LYS 123 OK 13 85 - 15 - 4096/2.9=2, 4120/3.9=2...(8) QB ALA 135 - H LYS 123 OK 13 68 - 19 - 3.7/7538=3, 7542/4.7=2...(8) HG3 LYS 85 - H LYS 123 poor 8 81 - 10 - ~9460=2, 7513/3.1=2, 4096/2.9=1 HB2 LEU 29 - H LYS 123 lone 3 62 - 4 - Peak 7526 from nnoeabs.peaks (1.94, 8.46, 114.87 ppm; 4.04 A): 1 out of 9 assignments used, quality = 0.94: * HB3 GLU 122 + H LYS 123 OK 94 100 - 94 - 4.7=65, 1.8/4071=29...(19) HG2 PRO 52 - H LYS 123 OK 31 100 - 32 - 7514/3.1=7, 4068/4.7=6...(9) HB3 PRO 52 - H LYS 123 OK 30 99 - 30 - 7514/3.1=6, 4068/4.7=6...(9) HB3 PRO 98 - H LYS 123 lone 8 85 - 10 - ~4102=4, 3267/7.4=1, 4068/4.7=1 HB ILE 56 - H LYS 123 lone 4 68 - 6 - 9468/7.4=1 HB2 ARG 89 - H LYS 123 lone 4 92 - 4 - HB2 GLN 62 - H LYS 123 lone 3 62 - 5 - 1.8/7527=1 HB2 ARG 140 - H LYS 123 lone 2 68 - 3 - HG2 PRO 12 - H LYS 123 lone 2 62 - 3 - Peak 7527 from nnoeabs.peaks (2.08, 8.46, 114.87 ppm; 4.70 A): 1 out of 10 assignments used, quality = 0.95: * HG2 GLU 122 + H LYS 123 OK 95 100 - 95 - 3.0/4079=29, 3.0/4071=29...(18) HD2 ARG 49 - H LYS 123 OK 28 94 - 29 - ~7505=7, 7515/3.1=6...(6) HB3 LYS 61 - H LYS 123 OK 15 99 - 15 - 4077/4.7=4, 4069/4.7=3...(4) HB2 LEU 26 - H LYS 123 OK 12 98 - 12 - 7515/3.1=3, 4069/4.7=2...(6) HB2 PRO 129 - H LYS 123 lone 9 100 - 9 - 4069/4.7=2, 4077/4.7=2...(4) HG3 PRO 33 - H LYS 123 poor 8 81 - 10 - 10997/4.7=3, 4077/4.7=2...(4) HB3 GLN 62 - H LYS 123 lone 7 89 - 8 - 7515/3.1=1 HB2 GLU 131 - H LYS 123 lone 6 89 - 7 - 4069/4.7=2, 4077/4.7=2...(4) HG2 PRO 118 - H LYS 123 lone 6 89 - 7 - 11552/7519=1, 7515/3.1=1 HB3 LYS 36 - H LYS 123 lone 3 72 - 4 - Peak 7528 from nnoeabs.peaks (2.00, 8.46, 114.87 ppm; 4.53 A): 2 out of 10 assignments used, quality = 0.96: * HG3 GLU 122 + H LYS 123 OK 94 100 - 94 - 3.0/4079=28, 3.0/4071=28...(22) HG3 PRO 52 + H LYS 123 OK 42 100 - 43 - 1.8/7526=8, 4078/4.7=8...(8) HB3 GLU 37 - H LYS 123 OK 23 96 - 24 - 3.0/7529=4, 7516/3.1=3...(7) HB2 GLU 37 - H LYS 123 OK 20 89 - 23 - 3.0/7529=4, 7516/3.1=3...(7) QE MET 113 - H LYS 123 OK 18 77 - 23 - 9330/7533=5, 9330/5.0=3...(9) HB VAL 63 - H LYS 123 OK 16 68 - 23 - 3.0/7529=3, 1793/2.9=2...(13) HB3 GLU 90 - H LYS 123 OK 12 100 - 12 - 4070/4.7=2, 7516/3.1=2...(5) HB2 GLN 111 - H LYS 123 poor 10 94 - 10 - 7516/3.1=1 QE MET 11 - H LYS 123 lone 8 100 - 8 - 7516/3.1=1, 44/4.7=1 QE MET 59 - H LYS 123 poor 7 62 - 12 - 9200/10190=2...(5) Peak 7529 from nnoeabs.peaks (4.02, 8.46, 114.87 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 123 + H LYS 123 OK 100 100 - 100 - 2.9=100 HB THR 107 - H LYS 123 OK 41 100 - 42 - 2.1/7535=5, 4107/3.9=5...(17) HA GLU 37 - H LYS 123 OK 20 100 - 20 - 3.0/7528=2, 4107/3.9=2...(8) HA GLU 81 - H LYS 123 OK 20 100 - 20 - 3.6/7523=3, 2437/3.1=2...(7) HA VAL 63 - H LYS 123 OK 17 94 - 18 - 4107/3.9=2, 4119/3.9=1...(8) HB3 SER 100 - H LYS 123 lone 8 94 - 8 - HB2 SER 103 - H LYS 123 lone 6 94 - 7 - Peak 7530 from nnoeabs.peaks (1.51, 8.46, 114.87 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.97: * HB2 LYS 123 + H LYS 123 OK 89 100 - 89 - 3.9=59, 3.0/7532=21...(17) HB2 GLU 122 + H LYS 123 OK 74 94 - 78 - 4.7=35, 1.8/4079=19...(20) HG3 LYS 76 - H LYS 123 OK 22 81 - 27 - 3.0/7531=5, 4096/2.9=3...(11) QB ALA 135 - H LYS 123 OK 22 94 - 23 - 10318/5.0=3, 3.7/7538=3...(9) HG3 PRO 57 - H LYS 123 OK 18 100 - 18 - 4096/2.9=4, 4120/3.9=3...(6) HD2 LYS 76 - H LYS 123 OK 12 62 - 19 - 3.5/7531=4, 8663/5.0=3...(7) HG3 LYS 85 - H LYS 123 OK 11 99 - 11 - ~9460=2, 7513/3.1=1, 4096/2.9=1 HG2 LYS 93 - H LYS 123 lone 6 81 - 7 - HB2 LEU 29 - H LYS 123 lone 4 92 - 5 - Peak 7531 from nnoeabs.peaks (1.45, 8.46, 114.87 ppm; 3.62 A): 1 out of 6 assignments used, quality = 0.96: * HB3 LYS 123 + H LYS 123 OK 96 100 - 96 - 3.9=79, 3.0/7532=26...(17) HB2 LYS 76 - H LYS 123 OK 39 94 - 41 - 4097/2.9=7, 4109/3.9=6...(17) HB3 LEU 66 - H LYS 123 OK 24 100 - 24 - 7543/4.7=3, 4097/2.9=3...(12) HG LEU 126 - H LYS 123 OK 11 77 - 14 - 7543/4.7=4, 4097/2.9=2...(5) HG2 LYS 48 - H LYS 123 OK 11 100 - 11 - 4097/2.9=2, 4109/3.9=2...(4) HB3 LYS 114 - H LYS 123 OK 10 77 - 13 - 3.0/7524=2, 4097/2.9=2...(5) Peak 7532 from nnoeabs.peaks (0.34, 8.46, 114.87 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.94: * HG2 LYS 123 + H LYS 123 OK 94 100 - 94 - 5.0=43, 1.8/7533=25...(26) Peak 7533 from nnoeabs.peaks (0.39, 8.46, 114.87 ppm; 3.56 A): 2 out of 2 assignments used, quality = 0.96: * HG3 LYS 123 + H LYS 123 OK 91 100 - 91 - 5.0=35, 1.8/7532=33...(24) QD2 LEU 132 + H LYS 123 OK 53 96 - 55 - 4099/2.9=9, 4111/3.9=8...(17) Peak 7534 from nnoeabs.peaks (1.12, 8.46, 114.87 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + H LYS 123 OK 100 100 - 100 - 6.1=56, 2.9/7532=44...(29) QB ALA 105 + H LYS 123 OK 67 100 - 67 - 4.1/10190=22...(11) Peak 7535 from nnoeabs.peaks (1.22, 8.46, 114.87 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.99: * HD3 LYS 123 + H LYS 123 OK 99 100 - 99 - 6.1=43, 2.9/7532=39...(28) QG2 THR 107 + H LYS 123 OK 51 100 - 51 - 4101/2.9=11, 2.1/7529=9...(13) HG12 ILE 101 - H LYS 123 OK 33 77 - 43 - 10174=8, 4167/5.0=8...(11) HB3 LEU 87 - H LYS 123 OK 24 68 - 36 - 4101/2.9=7, 4113/3.9=6...(10) Peak 7537 from nnoeabs.peaks (2.64, 8.46, 114.87 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.99: * HE3 LYS 123 + H LYS 123 OK 99 100 - 99 - 3.8/7532=41, 4103/2.9=40...(25) Peak 7538 from nnoeabs.peaks (8.21, 8.46, 114.87 ppm; 3.47 A): 3 out of 5 assignments used, quality = 0.77: * H ARG 124 + H LYS 123 OK 68 100 - 68 - 4.7=42, 4.8/7532=14...(10) H ILE 136 + H LYS 123 OK 15 99 - 16 - 4104/2.9=4, 4116/3.9=3...(6) H THR 74 + H LYS 123 OK 14 89 - 15 - 4104/2.9=3, 4116/3.9=3...(6) H MET 11 - H LYS 123 lone 2 98 - 2 - H ARG 141 - H LYS 123 lone 1 77 - 1 - Peak 7539 from nnoeabs.peaks (8.21, 8.21, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 124 + H ARG 124 OK 100 100 - 100 Peak 7540 from nnoeabs.peaks (8.46, 8.21, 115.50 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.70: * H LYS 123 + H ARG 124 OK 62 100 - 62 - 4.7=36, 7532/4.8=12...(8) H GLY 15 + H ARG 124 OK 21 94 - 22 - 4094/3.6=5, 4106/4.2=5...(5) Peak 7541 from nnoeabs.peaks (4.02, 8.21, 115.50 ppm; 3.91 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 123 + H ARG 124 OK 100 100 - 100 - 3.6=100 HB THR 107 - H ARG 124 OK 25 100 - 25 - 4107/4.2=6, 4141/4.8=5...(5) HA GLU 81 - H ARG 124 OK 13 100 - 13 - 4107/4.2=2, 9970/9476=2...(6) HA GLU 37 - H ARG 124 OK 11 100 - 11 - 4107/4.2=2, 7529/4.7=2...(5) HA VAL 63 - H ARG 124 lone 9 94 - 10 - 4107/4.2=2, 7529/4.7=2...(5) HB3 SER 100 - H ARG 124 lone 6 94 - 6 - HB2 SER 103 - H ARG 124 lone 5 94 - 6 - 10153/3.9=1 Peak 7542 from nnoeabs.peaks (1.51, 8.21, 115.50 ppm; 3.59 A): 6 out of 9 assignments used, quality = 0.94: * HB2 LYS 123 + H ARG 124 OK 75 100 - 75 - 4.2=62, 3.9/7540=17...(5) QB ALA 135 + H ARG 124 OK 41 94 - 44 - 4590=10, 3.7/7557=7...(16) HB2 GLU 122 + H ARG 124 OK 31 94 - 33 - 4.7/7540=13, 4.0/10336=7...(7) HG3 PRO 57 + H ARG 124 OK 20 100 - 20 - 4096/3.6=4, 4120/4.2=3...(8) HG3 LYS 76 + H ARG 124 OK 17 81 - 21 - 3.0/7543=4, 8661/4.8=4...(7) HD2 LYS 76 + H ARG 124 OK 10 62 - 17 - 8663/4.8=4, 3.5/7543=3...(6) HG3 LYS 85 - H ARG 124 lone 9 99 - 9 - 4096/3.6=1 HG2 LYS 93 - H ARG 124 lone 6 81 - 7 - HB2 LEU 29 - H ARG 124 lone 4 92 - 4 - Peak 7543 from nnoeabs.peaks (1.45, 8.21, 115.50 ppm; 3.70 A): 4 out of 6 assignments used, quality = 0.96: * HB3 LYS 123 + H ARG 124 OK 80 100 - 80 - 4.2=68, 3.9/7540=18...(4) HG LEU 126 + H ARG 124 OK 52 77 - 67 - ~10259=12, 2.1/9476=11...(22) HB3 LEU 66 + H ARG 124 OK 39 100 - 39 - 3.1/9475=14, 3.9/10336=6...(13) HB2 LYS 76 + H ARG 124 OK 33 94 - 35 - 4097/3.6=6, 4109/4.2=6...(11) HG2 LYS 48 - H ARG 124 OK 12 100 - 11 - 4097/3.6=2, 4109/4.2=2...(5) HB3 LYS 114 - H ARG 124 poor 9 77 - 12 - 4097/3.6=2, 4109/4.2=2...(7) Peak 7544 from nnoeabs.peaks (0.34, 8.21, 115.50 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + H ARG 124 OK 100 100 - 100 - 4.8=100 Peak 7545 from nnoeabs.peaks (0.39, 8.21, 115.50 ppm; 5.02 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + H ARG 124 OK 100 100 - 100 - 4.8=100 QD2 LEU 132 + H ARG 124 OK 72 96 - 75 - 4111/4.2=14, 4099/3.6=14...(22) Peak 7550 from nnoeabs.peaks (4.62, 8.21, 115.50 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 124 + H ARG 124 OK 100 100 - 100 - 3.0=100 HA HIS 10 - H ARG 124 OK 23 96 - 24 - 10980=7, 4214/3.9=3...(11) HA PRO 129 - H ARG 124 OK 23 85 - 27 - 4214/3.9=3, 4205/3.9=3...(13) HA ASP 16 - H ARG 124 OK 23 96 - 23 - 4214/3.9=3, 4205/3.9=3...(12) Peak 7551 from nnoeabs.peaks (1.80, 8.21, 115.50 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.99: * HB2 ARG 124 + H ARG 124 OK 99 100 - 99 - 3.9=97, 1.8/7552=19...(11) HB3 ARG 145 - H ARG 124 OK 23 85 - 27 - 4215/3.9=4, 4224/4.9=4...(13) HD2 LYS 34 - H ARG 124 OK 23 89 - 26 - ~10799=5, 3.4/7552=4...(12) HB3 LEU 72 - H ARG 124 OK 22 94 - 24 - 8534/4.8=5, 4215/3.9=3...(9) HD3 LYS 34 - H ARG 124 OK 22 89 - 25 - ~10799=5, 3.4/7552=4...(11) HB2 MET 11 - H ARG 124 OK 20 68 - 29 - 1.8/7552=5, 4215/3.9=5...(10) HD3 LYS 86 - H ARG 124 lone 9 100 - 9 - 7561/4.7=1, 4215/3.9=1 HB3 LYS 24 - H ARG 124 lone 7 99 - 7 - Peak 7552 from nnoeabs.peaks (1.97, 8.21, 115.50 ppm; 3.79 A): 1 out of 6 assignments used, quality = 0.95: * HB3 ARG 124 + H ARG 124 OK 95 100 - 95 - 3.9=88, 1.8/7551=16...(14) HB3 GLU 75 - H ARG 124 OK 29 100 - 29 - 8639/4.8=6, 4198/3.0=4...(11) HB3 MET 11 - H ARG 124 OK 26 77 - 33 - 1.8/10967=6, 4207/3.9=5...(11) HB2 LYS 34 - H ARG 124 OK 25 81 - 31 - ~10799=7, 4198/3.0=4...(13) HB2 GLU 142 - H ARG 124 OK 13 85 - 16 - ~10379=4, 4198/3.0=3...(6) QE MET 59 - H ARG 124 lone 3 62 - 5 - 10563/3.6=1 Peak 7553 from nnoeabs.peaks (1.66, 8.21, 115.50 ppm; 4.06 A): 2 out of 14 assignments used, quality = 0.96: * HG2 ARG 124 + H ARG 124 OK 93 100 - 93 - 4.9=56, 3.0/7552=16...(19) HG13 ILE 136 + H ARG 124 OK 48 89 - 54 - 2.3/4611=10, 2.1/4635=9...(15) HG2 ARG 140 - H ARG 124 OK 29 92 - 32 - 4208/3.9=4, 4199/3.0=4...(13) HB2 ARG 145 - H ARG 124 OK 28 96 - 30 - 4948/3.9=5, 4217/3.9=4...(12) HB VAL 71 - H ARG 124 OK 15 100 - 15 - 3.0/2083=2, 4.6/6751=2...(5) HB2 LEU 95 - H ARG 124 OK 14 100 - 14 - 4217/3.9=2, 4208/3.9=2...(7) HB2 MET 68 - H ARG 124 OK 13 100 - 13 - 4208/3.9=2, 4217/3.9=1 HB2 PRO 57 - H ARG 124 OK 11 72 - 16 - 2.3/7542=4, 1517/4.2=1...(5) HG2 ARG 89 - H ARG 124 OK 10 100 - 10 - 4217/3.9=1, 4208/3.9=1 HB2 LYS 114 - H ARG 124 poor 10 77 - 12 - 1.8/7543=2, 4217/3.9=1...(5) HD2 LYS 48 - H ARG 124 lone 8 100 - 8 - 3.0/7543=2 HD3 LYS 48 - H ARG 124 lone 7 85 - 8 - 3.0/7543=2 HD3 LYS 93 - H ARG 124 lone 7 77 - 8 - HD2 LYS 93 - H ARG 124 lone 4 62 - 6 - 1.8/4627=1 Peak 7554 from nnoeabs.peaks (1.58, 8.21, 115.50 ppm; 3.65 A): 3 out of 9 assignments used, quality = 0.95: * HG3 ARG 124 + H ARG 124 OK 85 100 - 85 - 4.9=41, 3.0/7552=13...(18) HB2 LEU 126 + H ARG 124 OK 52 92 - 56 - 3.1/9476=9, ~10259=9...(18) HB2 LEU 66 + H ARG 124 OK 34 96 - 35 - 3.1/9475=13, 1.8/7543=6...(10) HG3 ARG 109 - H ARG 124 OK 30 100 - 30 - 4209/3.9=4, 4200/3.0=4...(12) HG2 ARG 145 - H ARG 124 OK 20 92 - 22 - 4209/3.9=3, 2.9/7551=3...(10) HG3 ARG 145 - H ARG 124 OK 18 85 - 21 - 2.9/7551=3, 4209/3.9=3...(9) HG2 ARG 109 - H ARG 124 OK 16 68 - 23 - 3.0/7555=3, ~4201=3...(9) HD3 LYS 85 - H ARG 124 lone 6 100 - 6 - 3.0/7542=1 HD2 LYS 85 - H ARG 124 lone 5 85 - 6 - 3.0/7542=1 Peak 7555 from nnoeabs.peaks (3.30, 8.21, 115.50 ppm; 6.09 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 124 + H ARG 124 OK 100 100 - 100 - 6.2=94, 4241/3.0=31...(21) HD3 ARG 109 + H ARG 124 OK 68 100 - 68 - 4237/4.9=14, 4228/4.9=13...(15) HB2 TRP 88 - H ARG 124 OK 42 100 - 42 - 3.0/9488=8, 4228/4.9=7...(9) HB3 TRP 17 - H ARG 124 lone 4 89 - 4 - Peak 7557 from nnoeabs.peaks (8.23, 8.21, 115.50 ppm; 2.50 A): 3 out of 4 assignments used, quality = 0.62: * H GLY 125 + H ARG 124 OK 39 100 - 39 - 7559=24, 3.0/9487=6...(7) H THR 74 + H ARG 124 OK 22 94 - 23 - 4203/3.0=3, 4221/3.9=2...(11) H ILE 136 + H ARG 124 OK 20 77 - 26 - 2.9/4591=3, 3.7/4590=2...(14) H THR 102 - H ARG 124 lone 0 62 - 1 - Peak 7558 from nnoeabs.peaks (8.23, 8.23, 109.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 125 + H GLY 125 OK 100 100 - 100 Peak 7559 from nnoeabs.peaks (8.21, 8.23, 109.39 ppm; 2.57 A): 4 out of 5 assignments used, quality = 0.59: * H ARG 124 + H GLY 125 OK 40 100 - 40 - 7557=24, 9487/3.0=6...(7) H THR 74 + H GLY 125 OK 14 89 - 16 - 4195/3.6=2, 3.2/6790=1...(8) H MET 11 + H GLY 125 OK 11 98 - 12 - 11245/3.6=4, 4213/4.6=2...(7) H ILE 136 + H GLY 125 OK 11 99 - 11 - 4195/3.6=1, 4213/4.6=1 H ARG 141 - H GLY 125 lone 1 77 - 2 - Peak 7560 from nnoeabs.peaks (4.62, 8.23, 109.39 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 124 + H GLY 125 OK 100 100 - 100 - 3.6=100 HA HIS 10 - H GLY 125 OK 20 96 - 20 - 3.6/7559=6, 10980/4.7=4...(6) HA ASP 16 - H GLY 125 OK 17 96 - 18 - 4214/4.6=4, 4205/4.6=3...(6) HA PRO 129 - H GLY 125 OK 14 85 - 17 - 4214/4.6=4, 4205/4.6=4...(5) Peak 7561 from nnoeabs.peaks (1.80, 8.23, 109.39 ppm; 4.52 A): 1 out of 8 assignments used, quality = 0.98: * HB2 ARG 124 + H GLY 125 OK 98 100 - 98 - 4.6=93, 1.8/7562=22...(8) HB3 ARG 145 - H GLY 125 OK 22 85 - 25 - 4224/4.9=5, 4233/4.9=5...(9) HB2 MET 11 - H GLY 125 OK 21 68 - 31 - 1.8/7562=6, 4.0/7559=6...(8) HB3 LEU 72 - H GLY 125 OK 19 94 - 21 - 4215/4.6=4, 4197/3.6=3...(7) HD2 LYS 34 - H GLY 125 OK 17 89 - 19 - 4215/4.6=3, 3.4/7562=3...(7) HD3 LYS 34 - H GLY 125 OK 17 89 - 19 - 4197/3.6=3, 3.4/7562=3...(7) HD3 LYS 86 - H GLY 125 OK 16 100 - 16 - 11083/4.6=4, 3.0/9489=4...(8) HB3 LYS 24 - H GLY 125 lone 6 99 - 6 - Peak 7562 from nnoeabs.peaks (1.97, 8.23, 109.39 ppm; 4.32 A): 2 out of 6 assignments used, quality = 0.95: * HB3 ARG 124 + H GLY 125 OK 93 100 - 93 - 4.6=81, 3.9/7559=19...(9) HB3 GLU 75 + H GLY 125 OK 27 100 - 27 - 4198/3.6=4, 7552/4.7=4...(10) HB3 MET 11 - H GLY 125 OK 26 77 - 34 - 4207/4.6=6, 4.0/7559=5...(8) HB2 LYS 34 - H GLY 125 OK 19 81 - 23 - 4198/3.6=4, 4207/4.6=4...(7) HB2 GLU 142 - H GLY 125 OK 11 85 - 13 - 4198/3.6=3, 4207/4.6=2...(6) QE MET 59 - H GLY 125 lone 2 62 - 4 - Peak 7563 from nnoeabs.peaks (1.66, 8.23, 109.39 ppm; 5.37 A): 1 out of 14 assignments used, quality = 1.00: * HG2 ARG 124 + H GLY 125 OK 100 100 - 100 - 4.9=100 HB2 ARG 145 - H GLY 125 OK 31 96 - 33 - 4948/4.6=7, 4235/4.9=6...(8) HG13 ILE 136 - H GLY 125 OK 30 89 - 34 - 4.5/7559=6, 4627/4.7=6...(13) HG2 ARG 140 - H GLY 125 OK 23 92 - 25 - 4235/4.9=5, 4217/4.6=5...(5) HB2 LEU 95 - H GLY 125 OK 20 100 - 20 - 3.1/9490=6, 4217/4.6=3...(7) HB VAL 71 - H GLY 125 OK 19 100 - 19 - 10593/9496=3, 3.0/2083=3...(8) HB2 MET 68 - H GLY 125 OK 14 100 - 14 - 4208/4.6=2, 4217/4.6=2...(7) HG2 ARG 89 - H GLY 125 lone 9 100 - 9 - 4217/4.6=2, 4235/4.9=2...(5) HB2 PRO 57 - H GLY 125 poor 8 72 - 11 - 4217/4.6=2, 4208/4.6=2...(5) HB2 LYS 114 - H GLY 125 lone 7 77 - 9 - 4217/4.6=2, 4235/4.9=2...(5) HD3 LYS 93 - H GLY 125 lone 7 77 - 8 - 10257/9496=2 HD2 LYS 48 - H GLY 125 lone 6 100 - 6 - HD3 LYS 48 - H GLY 125 lone 5 85 - 6 - HD2 LYS 93 - H GLY 125 lone 3 62 - 5 - Peak 7564 from nnoeabs.peaks (1.58, 8.23, 109.39 ppm; 4.40 A): 2 out of 9 assignments used, quality = 0.98: * HG3 ARG 124 + H GLY 125 OK 91 100 - 91 - 4.9=72, 1.8/4230=19...(12) HB2 LEU 126 + H GLY 125 OK 77 92 - 84 - 4.0/7569=27, 3.1/9496=25...(23) HG3 ARG 109 - H GLY 125 OK 25 100 - 25 - 4209/4.6=5, 4218/4.6=5...(7) HB2 LEU 66 - H GLY 125 OK 24 96 - 25 - 3.1/9491=8, 7554/4.7=3...(9) HG2 ARG 145 - H GLY 125 OK 20 92 - 22 - 4209/4.6=3, 4227/4.9=3...(7) HG3 ARG 145 - H GLY 125 OK 18 85 - 21 - 2.9/7561=3, 4209/4.6=3...(7) HG2 ARG 109 - H GLY 125 OK 11 68 - 16 - 4227/4.9=2, 4209/4.6=2...(7) HD3 LYS 85 - H GLY 125 lone 8 100 - 7 - 7575/4.6=1 HD2 LYS 85 - H GLY 125 lone 6 85 - 7 - 7575/4.6=1 Peak 7567 from nnoeabs.peaks (3.77, 8.23, 109.39 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 125 + H GLY 125 OK 100 100 - 100 - 3.0=100 Peak 7568 from nnoeabs.peaks (4.15, 8.23, 109.39 ppm; 3.09 A): 2 out of 8 assignments used, quality = 1.00: * HA3 GLY 125 + H GLY 125 OK 100 100 - 100 - 3.0=100 HA LEU 126 + H GLY 125 OK 49 98 - 50 - 3.0/7569=17, 4.0/9496=10...(15) HA LYS 76 - H GLY 125 OK 13 100 - 13 - 2.9/9489=3, 3.0/6803=2...(5) HA GLU 120 - H GLY 125 lone 9 89 - 10 - 4.9/10314=5, 4260/3.0=2 HA GLU 131 - H GLY 125 lone 6 81 - 7 - 9554/9490=1 HB3 SER 44 - H GLY 125 lone 2 96 - 2 - HB2 SER 44 - H GLY 125 lone 2 96 - 2 - HA PHE 38 - H GLY 125 lone 0 62 - 1 - Peak 7569 from nnoeabs.peaks (7.46, 8.23, 109.39 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.88: * H LEU 126 + H GLY 125 OK 88 100 - 88 - 4.6=67, 4.7/9496=15...(14) HE22 GLN 62 - H GLY 125 lone 4 72 - 6 - 4298/9496=1, 4265/3.0=1 Peak 7570 from nnoeabs.peaks (7.46, 7.46, 120.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 126 + H LEU 126 OK 100 100 - 100 Peak 7571 from nnoeabs.peaks (8.23, 7.46, 120.20 ppm; 3.84 A): 2 out of 4 assignments used, quality = 0.89: * H GLY 125 + H LEU 126 OK 84 100 - 84 - 4.6=59, 9496/4.7=15...(14) H THR 74 + H LEU 126 OK 32 94 - 34 - 9496/4.7=13, 6782/4.8=5...(9) H ILE 136 - H LEU 126 lone 7 77 - 9 - ~7727=2, 4258/3.6=2...(4) H THR 102 - H LEU 126 lone 1 62 - 1 - Peak 7572 from nnoeabs.peaks (3.77, 7.46, 120.20 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 125 + H LEU 126 OK 100 100 - 100 - 3.6=100 Peak 7573 from nnoeabs.peaks (4.15, 7.46, 120.20 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: HA LEU 126 + H LEU 126 OK 98 98 - 100 - 3.0=100 * HA3 GLY 125 + H LEU 126 OK 95 100 - 95 - 3.6=91, 3.0/7569=21...(11) HA LYS 76 - H LEU 126 OK 37 100 - 37 - 2.9/7577=6, 2241/4.0=4...(17) HA GLU 120 - H LEU 126 OK 21 89 - 24 - 4.9/10313=10...(4) HA GLU 131 - H LEU 126 OK 15 81 - 18 - ~4448=2, ~4448=2...(10) HB3 SER 44 - H LEU 126 lone 5 96 - 5 - HB2 SER 44 - H LEU 126 lone 5 96 - 5 - HA PHE 38 - H LEU 126 lone 1 62 - 1 - Peak 7574 from nnoeabs.peaks (4.15, 7.46, 120.20 ppm; 3.46 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 126 + H LEU 126 OK 100 100 - 100 - 3.0=100 HA3 GLY 125 + H LEU 126 OK 93 98 - 95 - 3.6=91, 3.0/7569=21...(11) HA LYS 76 - H LEU 126 OK 37 100 - 37 - 2.9/7577=6, 2241/4.0=4...(17) HA GLU 131 - H LEU 126 OK 18 96 - 19 - 9554/4.8=2, ~4448=2...(10) HA GLU 120 - H LEU 126 OK 16 68 - 23 - 4.9/10313=10...(4) HB3 SER 44 - H LEU 126 lone 4 81 - 5 - HB2 SER 44 - H LEU 126 lone 4 81 - 5 - Peak 7575 from nnoeabs.peaks (1.57, 7.46, 120.20 ppm; 3.93 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 126 + H LEU 126 OK 99 100 - 99 - 4.0=93, 1.8/7576=29...(21) HG3 ARG 124 + H LEU 126 OK 58 92 - 63 - 4.9/7569=17...(12) HB2 LEU 66 - H LEU 126 OK 25 100 - 25 - 4268/3.0=4, 1.8/7577=4...(10) HD2 LYS 85 - H LEU 126 OK 20 100 - 20 - 3.6/11084=4, 4268/3.0=3...(8) HD3 LYS 85 - H LEU 126 OK 19 96 - 19 - 3.6/11084=4, 4268/3.0=3...(8) HG2 ARG 109 - H LEU 126 OK 14 96 - 15 - 4268/3.0=2, 4284/4.0=2...(7) HG3 ARG 109 - H LEU 126 OK 13 85 - 16 - 4268/3.0=2, 4284/4.0=2...(9) HG2 ARG 145 - H LEU 126 OK 11 100 - 11 - 2.9/11083=1, 4268/3.0=1...(5) HG3 ARG 145 - H LEU 126 OK 11 100 - 11 - 2.9/11083=1, 4268/3.0=1...(4) Peak 7576 from nnoeabs.peaks (1.84, 7.46, 120.20 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.97: * HB3 LEU 126 + H LEU 126 OK 97 100 - 97 - 4.0=82, 3.0/4290=24...(18) HB2 LYS 93 - H LEU 126 OK 34 100 - 34 - 4269/3.0=9, 4277/4.0=7...(7) Peak 7577 from nnoeabs.peaks (1.46, 7.46, 120.20 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.93: * HG LEU 126 + H LEU 126 OK 87 100 - 88 - 4290=35, 2.1/4298=24...(18) HB2 LYS 76 + H LEU 126 OK 42 98 - 43 - 4270/3.0=7, 4278/4.0=5...(16) HG3 LYS 86 - H LEU 126 OK 22 98 - 22 - 3.0/11084=4, 3.0/11083=4...(9) HB3 LEU 66 - H LEU 126 OK 16 77 - 20 - 4278/4.0=3, 1.8/7575=3...(9) HB3 LYS 123 - H LEU 126 lone 7 77 - 9 - 4270/3.0=1, 4278/4.0=1 HG2 LYS 48 - H LEU 126 lone 2 62 - 4 - Peak 7578 from nnoeabs.peaks (0.64, 7.46, 120.20 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.97: * QD1 LEU 126 + H LEU 126 OK 95 100 - 95 - 4.7=55, 2.1/4290=30...(21) QD2 LEU 64 + H LEU 126 OK 36 96 - 37 - 4271/3.0=9, 4287/4.0=8...(6) Peak 7579 from nnoeabs.peaks (0.79, 7.46, 120.20 ppm; 3.72 A): 2 out of 5 assignments used, quality = 0.95: * QD2 LEU 126 + H LEU 126 OK 92 100 - 92 - 4.8=46, 2.1/4290=28...(16) QG2 THR 74 + H LEU 126 OK 35 94 - 37 - 4306=8, 4280/4.0=5...(10) QG1 VAL 80 - H LEU 126 OK 31 96 - 32 - 4306=7, 4272/3.0=5...(10) QD1 LEU 79 - H LEU 126 OK 21 89 - 24 - 4272/3.0=5, 4288/4.0=4...(7) QD2 LEU 95 - H LEU 126 poor 8 72 - 11 - 4272/3.0=2, 4280/4.0=2...(6) Peak 7580 from nnoeabs.peaks (8.97, 7.46, 120.20 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.77: * H SER 127 + H LEU 126 OK 71 100 - 71 - 4.6=46, 4.2/7576=13...(8) H MET 59 + H LEU 126 OK 23 100 - 23 - 11022/4.7=10, 4273/3.0=4...(6) Peak 7581 from nnoeabs.peaks (8.97, 8.97, 114.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 127 + H SER 127 OK 100 100 - 100 Peak 7582 from nnoeabs.peaks (7.46, 8.97, 114.17 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.68: * H LEU 126 + H SER 127 OK 68 100 - 68 - 4.6=43, 7576/4.2=12...(8) HE22 GLN 62 - H SER 127 lone 7 72 - 10 - 4266/3.6=3, 4274/4.2=2...(4) Peak 7583 from nnoeabs.peaks (4.15, 8.97, 114.17 ppm; 3.68 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 126 + H SER 127 OK 100 100 - 100 - 3.6=100 HA3 GLY 125 - H SER 127 OK 42 98 - 43 - 3.6/7582=23, 3.0/10351=9...(7) HA LYS 76 - H SER 127 OK 20 100 - 20 - 2.9/7586=5, 2241/4.2=4...(6) HA GLU 131 - H SER 127 poor 10 96 - 10 - 9554/5.0=3, 4275/4.2=2...(4) HA GLU 120 - H SER 127 lone 3 68 - 5 - 7573/4.6=1 HB3 SER 44 - H SER 127 lone 3 81 - 4 - HB2 SER 44 - H SER 127 lone 3 81 - 4 - Peak 7584 from nnoeabs.peaks (1.57, 8.97, 114.17 ppm; 4.59 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 126 + H SER 127 OK 100 100 - 100 - 4.2=100 HG3 ARG 124 - H SER 127 OK 40 92 - 43 - 4.9/10351=14...(7) HB2 LEU 66 - H SER 127 OK 23 100 - 23 - 1.8/7586=5, 4268/3.6=4...(9) HD2 LYS 85 - H SER 127 OK 12 100 - 12 - 4268/3.6=4, 4284/4.2=3...(4) HG2 ARG 109 - H SER 127 OK 11 96 - 12 - 4284/4.2=3, 4268/3.6=3...(4) HD3 LYS 85 - H SER 127 OK 11 96 - 12 - 4268/3.6=3, 4284/4.2=3...(4) HG3 ARG 109 - H SER 127 poor 10 85 - 11 - 4284/4.2=3, 4268/3.6=2...(5) HG2 ARG 145 - H SER 127 lone 7 100 - 7 - 4284/4.2=2, 4268/3.6=2 HG3 ARG 145 - H SER 127 lone 7 100 - 7 - 4284/4.2=2, 4268/3.6=2 Peak 7585 from nnoeabs.peaks (1.84, 8.97, 114.17 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 126 + H SER 127 OK 99 100 - 99 - 4.2=98, 4.0/7582=26...(6) HB2 LYS 93 - H SER 127 OK 34 100 - 33 - 4269/3.6=9, 4277/4.2=9...(8) Peak 7586 from nnoeabs.peaks (1.46, 8.97, 114.17 ppm; 4.71 A): 4 out of 6 assignments used, quality = 0.91: * HG LEU 126 + H SER 127 OK 78 100 - 78 - 3.0/7585=28, 2.1/7587=25...(10) HB2 LYS 76 + H SER 127 OK 38 98 - 39 - 4270/3.6=10, 4286/4.2=8...(8) HG3 LYS 86 + H SER 127 OK 21 98 - 21 - 4286/4.2=5, 4278/4.2=4...(6) HB3 LEU 66 + H SER 127 OK 20 77 - 26 - 4278/4.2=5, 4286/4.2=5...(9) HB3 LYS 123 - H SER 127 poor 8 77 - 10 - 4278/4.2=2, 4286/4.2=2...(5) HG2 LYS 48 - H SER 127 lone 3 62 - 5 - Peak 7587 from nnoeabs.peaks (0.64, 8.97, 114.17 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.91: * QD1 LEU 126 + H SER 127 OK 83 100 - 83 - 4.7/7582=26, 3.1/7585=26...(11) QD2 LEU 64 + H SER 127 OK 45 96 - 47 - 4287/4.2=11, 4279/4.2=11...(10) Peak 7588 from nnoeabs.peaks (0.79, 8.97, 114.17 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.94: * QD2 LEU 126 + H SER 127 OK 88 100 - 88 - 5.0=59, 3.1/7585=22...(9) QG1 VAL 80 + H SER 127 OK 35 96 - 36 - 10266/4.0=11...(7) QG2 THR 74 + H SER 127 OK 26 94 - 28 - 4280/4.2=6, 4288/4.2=6...(8) QD1 LEU 79 - H SER 127 OK 20 89 - 22 - 4272/3.6=5, 4288/4.2=5...(7) QD2 LEU 95 - H SER 127 poor 9 72 - 13 - 10266/4.0=3, 10265/4.0=2...(5) Peak 7589 from nnoeabs.peaks (4.72, 8.97, 114.17 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 127 + H SER 127 OK 100 100 - 100 - 2.9=100 HA LEU 116 - H SER 127 OK 12 89 - 14 - 4320/4.0=3, 4325/4.0=2...(7) HA THR 51 - H SER 127 OK 12 100 - 12 - 4325/4.0=3, 4320/4.0=3...(8) Peak 7590 from nnoeabs.peaks (3.84, 8.97, 114.17 ppm; 5.20 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 127 + H SER 127 OK 100 100 - 100 - 4.0=100 HA MET 68 - H SER 127 OK 20 100 - 20 - 7596/4.6=6, 4326/4.0=5...(5) HA LEU 72 - H SER 127 OK 16 96 - 17 - 4326/4.0=6, 4316/2.9=5 HA ALA 104 - H SER 127 OK 13 100 - 13 - 4326/4.0=5, 4316/2.9=4 HA GLN 133 - H SER 127 lone 7 85 - 9 - 4326/4.0=3, 4316/2.9=2 HB2 SER 100 - H SER 127 lone 5 77 - 7 - 4326/4.0=2, 4316/2.9=2 HD2 PRO 118 - H SER 127 lone 3 68 - 4 - 4316/2.9=1, 7596/4.6=1 Peak 7591 from nnoeabs.peaks (3.99, 8.97, 114.17 ppm; 4.78 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 127 + H SER 127 OK 100 100 - 100 - 4.0=100 HA LEU 69 - H SER 127 OK 17 85 - 20 - 2003/4.2=3, 4317/2.9=3...(7) HA GLU 75 - H SER 127 OK 15 85 - 18 - 4322/4.0=7, 4317/2.9=6...(4) HA MET 113 - H SER 127 poor 9 81 - 11 - 4317/2.9=4, 4322/4.0=3 HB3 SER 138 - H SER 127 lone 6 85 - 7 - 4322/4.0=2, 4317/2.9=2, ~4317=1 HB2 SER 138 - H SER 127 lone 6 85 - 7 - 4322/4.0=2, 4317/2.9=1, ~4317=1 HA GLU 122 - H SER 127 lone 4 81 - 4 - HA LYS 114 - H SER 127 lone 3 81 - 4 - 4317/2.9=1, 4322/4.0=1 HA3 GLY 143 - H SER 127 lone 3 62 - 4 - 7597/4.6=2 Peak 7592 from nnoeabs.peaks (8.30, 8.97, 114.17 ppm; 5.16 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 128 + H SER 127 OK 100 100 - 100 - 4.6=100 H VAL 71 - H SER 127 OK 26 92 - 29 - 4323/4.0=9, 4328/4.0=8...(5) H LEU 64 - H SER 127 OK 21 62 - 34 - 4.9/7587=10, 3.6/11450=7...(11) H THR 99 - H SER 127 OK 19 92 - 20 - 11676/4.0=12, 4328/4.0=5 H THR 18 - H SER 127 lone 7 100 - 7 - 4318/2.9=1, 4323/4.0=1 Peak 7593 from nnoeabs.peaks (8.30, 8.30, 115.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 128 + H ASN 128 OK 100 100 - 100 Peak 7595 from nnoeabs.peaks (4.72, 8.30, 115.99 ppm; 3.02 A): 1 out of 3 assignments used, quality = 0.70: * HA SER 127 + H ASN 128 OK 70 100 - 70 - 3.6=61, 3.0/7597=13, 3.0/7596=10 HA THR 51 - H ASN 128 lone 5 100 - 5 - 4325/4.7=2, 4320/4.7=2 HA LEU 116 - H ASN 128 lone 4 89 - 4 - 4320/4.7=2, 4325/4.7=1 Peak 7596 from nnoeabs.peaks (3.84, 8.30, 115.99 ppm; 3.68 A): 4 out of 7 assignments used, quality = 0.87: * HB2 SER 127 + H ASN 128 OK 77 100 - 77 - 4.7=49, 3.0/7595=30...(7) HA MET 68 + H ASN 128 OK 24 100 - 24 - 1957=5, 8444/3.9=3...(10) HA LEU 72 + H ASN 128 OK 16 96 - 17 - 2.9/6739=4, 4316/3.6=3...(6) HA ALA 104 + H ASN 128 OK 10 100 - 11 - 4326/4.7=2, 4316/3.6=2, 1957=1 HA GLN 133 - H ASN 128 lone 6 85 - 8 - 4326/4.7=1, 9617/9523=1 HB2 SER 100 - H ASN 128 lone 6 77 - 8 - 4.1/10155=3 HD2 PRO 118 - H ASN 128 lone 4 68 - 6 - ~10263=2, 2.3/9500=1 Peak 7597 from nnoeabs.peaks (3.99, 8.30, 115.99 ppm; 3.32 A): 2 out of 9 assignments used, quality = 0.68: * HB3 SER 127 + H ASN 128 OK 64 100 - 64 - 4.7=36, 3.0/7595=25...(6) HA LEU 69 + H ASN 128 OK 11 85 - 13 - 4.9/7596=2, 3.6/6715=2...(6) HA MET 113 - H ASN 128 lone 8 81 - 10 - 3.0/9499=2, 4317/3.6=1 HA GLU 75 - H ASN 128 lone 7 85 - 9 - 4322/4.7=3, 4317/3.6=3 HA3 GLY 143 - H ASN 128 poor 7 62 - 12 - ~4348=3, ~4350=2...(5) HB2 SER 138 - H ASN 128 lone 3 85 - 3 - HB3 SER 138 - H ASN 128 lone 3 85 - 3 - HA GLU 122 - H ASN 128 lone 2 81 - 3 - HA LYS 114 - H ASN 128 lone 2 81 - 2 - Peak 7598 from nnoeabs.peaks (5.26, 8.30, 115.99 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + H ASN 128 OK 100 100 - 100 - 2.9=100 Peak 7599 from nnoeabs.peaks (2.79, 8.30, 115.99 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.96: * HB2 ASN 128 + H ASN 128 OK 96 100 - 96 - 3.9=89, 1.8/7600=22...(13) HB3 ASN 139 - H ASN 128 OK 17 94 - 18 - 4331/2.9=6, 10369/4.8=4...(6) HB3 ASP 41 - H ASN 128 OK 14 100 - 14 - 4331/2.9=5, 4343/3.9=3...(6) HB3 TYR 119 - H ASN 128 lone 1 62 - 2 - Peak 7600 from nnoeabs.peaks (2.99, 8.30, 115.99 ppm; 3.76 A): 1 out of 5 assignments used, quality = 0.97: * HB3 ASN 128 + H ASN 128 OK 97 100 - 97 - 3.9=90, 1.8/7599=28...(13) HA VAL 71 - H ASN 128 OK 24 72 - 33 - 2077=4, 3.2/2098=4...(15) HA VAL 82 - H ASN 128 OK 22 100 - 22 - 4332/2.9=8, 4338/3.9=5...(6) HB2 ASP 30 - H ASN 128 OK 15 94 - 16 - 9525/4.8=7, 4332/2.9=3...(4) HB3 HIS 14 - H ASN 128 lone 3 98 - 3 - Peak 7601 from nnoeabs.peaks (7.72, 8.30, 115.99 ppm; 3.94 A): 4 out of 4 assignments used, quality = 0.93: * HD21 ASN 128 + H ASN 128 OK 82 100 - 82 - 5.6=36, 7605/2.9=26...(12) H LEU 132 + H ASN 128 OK 48 92 - 52 - 4.5/10393=13...(11) H SER 100 + H ASN 128 OK 21 92 - 23 - 10155=5, 4.0/3300=3...(10) H GLN 62 + H ASN 128 OK 12 85 - 14 - 4345/3.9=2, 4333/2.9=2...(5) Peak 7602 from nnoeabs.peaks (7.00, 8.30, 115.99 ppm; 4.74 A): 2 out of 6 assignments used, quality = 0.94: * HD22 ASN 128 + H ASN 128 OK 92 100 - 92 - 5.6=62, 7612/3.9=30...(13) HD22 ASN 130 + H ASN 128 OK 30 100 - 30 - 5.5/10388=13, 4346/3.9=6...(6) QE PHE 43 - H ASN 128 lone 7 99 - 7 - 4340/3.9=1, 4346/3.9=1 HZ PHE 45 - H ASN 128 lone 5 92 - 6 - 4346/3.9=2, 4340/3.9=1 HZ PHE 67 - H ASN 128 lone 5 100 - 5 - HH2 TRP 17 - H ASN 128 lone 3 99 - 3 - Peak 7603 from nnoeabs.peaks (7.72, 7.72, 115.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 128 + HD21 ASN 128 OK 100 100 - 100 Peak 7604 from nnoeabs.peaks (8.30, 7.72, 115.38 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.94: * H ASN 128 + HD21 ASN 128 OK 92 100 - 92 - 5.6=55, 2.9/7605=34...(13) H VAL 71 + HD21 ASN 128 OK 31 92 - 33 - 7610/1.7=8, 4341/3.4=6...(10) H THR 99 - HD21 ASN 128 OK 20 92 - 21 - 7610/1.7=4, 4341/3.4=3...(9) H THR 18 - HD21 ASN 128 OK 12 100 - 12 - 7610/1.7=3, 4341/3.4=2...(4) H LEU 64 - HD21 ASN 128 lone 3 62 - 5 - Peak 7605 from nnoeabs.peaks (5.26, 7.72, 115.38 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.98: * HA ASN 128 + HD21 ASN 128 OK 98 100 - 98 - 4.6=86, 3.0/7606=33...(11) Peak 7606 from nnoeabs.peaks (2.79, 7.72, 115.38 ppm; 3.06 A): 3 out of 4 assignments used, quality = 0.91: * HB2 ASN 128 + HD21 ASN 128 OK 89 100 - 89 - 3.4=71, 7612/1.7=26...(12) HB3 ASN 139 + HD21 ASN 128 OK 12 94 - 12 - 7612/1.7=4, 4343/3.4=3...(4) HB3 ASP 41 + HD21 ASN 128 OK 11 100 - 11 - 7612/1.7=3, 4343/3.4=2 HB3 TYR 119 - HD21 ASN 128 lone 2 62 - 2 - Peak 7607 from nnoeabs.peaks (2.99, 7.72, 115.38 ppm; 3.38 A): 1 out of 5 assignments used, quality = 0.98: * HB3 ASN 128 + HD21 ASN 128 OK 98 100 - 99 - 3.4=95, 1.8/7606=31...(13) HA VAL 82 - HD21 ASN 128 OK 25 100 - 25 - 7613/1.7=6, 4338/3.4=5...(11) HA VAL 71 - HD21 ASN 128 OK 13 72 - 18 - 2.9/7604=3, 7613/1.7=3...(8) HB2 ASP 30 - HD21 ASN 128 lone 8 94 - 8 - 7613/1.7=2, 4338/3.4=2...(4) HB3 HIS 14 - HD21 ASN 128 lone 3 98 - 3 - Peak 7608 from nnoeabs.peaks (7.00, 7.72, 115.38 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 128 + HD21 ASN 128 OK 100 100 - 100 - 1.7=100 HD22 ASN 130 - HD21 ASN 128 lone 9 100 - 9 - 4340/3.4=2, 4346/3.4=2...(6) QE PHE 43 - HD21 ASN 128 lone 2 99 - 2 - HZ PHE 45 - HD21 ASN 128 lone 2 92 - 2 - HZ PHE 67 - HD21 ASN 128 lone 1 100 - 1 - HH2 TRP 17 - HD21 ASN 128 lone 1 99 - 1 - Peak 7609 from nnoeabs.peaks (7.00, 7.00, 115.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 128 + HD22 ASN 128 OK 100 100 - 100 Peak 7610 from nnoeabs.peaks (8.30, 7.00, 115.38 ppm; 4.38 A): 4 out of 5 assignments used, quality = 0.93: * H ASN 128 + HD22 ASN 128 OK 87 100 - 87 - 5.6=49, 3.9/7612=27...(13) H VAL 71 + HD22 ASN 128 OK 28 92 - 31 - 7604/1.7=7, 4341/3.4=6...(9) H THR 99 + HD22 ASN 128 OK 15 92 - 16 - 7604/1.7=5, 4341/3.4=3...(5) H THR 18 + HD22 ASN 128 OK 11 100 - 11 - 7604/1.7=3, 4341/3.4=2...(4) H LEU 64 - HD22 ASN 128 lone 3 62 - 5 - Peak 7611 from nnoeabs.peaks (5.26, 7.00, 115.38 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HD22 ASN 128 OK 100 100 - 100 - 4.6=100 Peak 7612 from nnoeabs.peaks (2.79, 7.00, 115.38 ppm; 3.12 A): 3 out of 4 assignments used, quality = 0.91: * HB2 ASN 128 + HD22 ASN 128 OK 89 100 - 89 - 3.4=75, 7606/1.7=28...(10) HB3 ASN 139 + HD22 ASN 128 OK 12 94 - 13 - 7606/1.7=4, 4343/3.4=3...(4) HB3 ASP 41 + HD22 ASN 128 OK 12 100 - 12 - 7606/1.7=4, 4343/3.4=2 HB3 TYR 119 - HD22 ASN 128 lone 2 62 - 3 - 3.0/9429=1 Peak 7613 from nnoeabs.peaks (2.99, 7.00, 115.38 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 128 + HD22 ASN 128 OK 100 100 - 100 - 3.4=100 HA VAL 82 - HD22 ASN 128 OK 27 100 - 27 - 7607/1.7=7, 4338/3.4=5...(11) HA VAL 71 - HD22 ASN 128 OK 14 72 - 20 - 2.9/7610=4, 7607/1.7=3...(8) HB2 ASP 30 - HD22 ASN 128 lone 7 94 - 8 - 7607/1.7=2, 4338/3.4=2...(4) HB3 HIS 14 - HD22 ASN 128 lone 3 98 - 3 - Peak 7614 from nnoeabs.peaks (7.72, 7.00, 115.38 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 128 + HD22 ASN 128 OK 100 100 - 100 - 1.7=100 H LEU 132 - HD22 ASN 128 OK 16 92 - 17 - 4345/3.4=3, 4.5/10374=3...(7) H GLN 62 - HD22 ASN 128 lone 5 85 - 5 - H SER 100 - HD22 ASN 128 lone 4 92 - 4 - Peak 7615 from nnoeabs.peaks (8.68, 8.68, 117.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 130 + H ASN 130 OK 100 100 - 100 Peak 7616 from nnoeabs.peaks (4.61, 8.68, 117.41 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.94: * HA PRO 129 + H ASN 130 OK 94 100 - 94 - 3.6=90, 3.6/7621=11...(8) HA HIS 10 - H ASN 130 OK 12 99 - 12 - 4375/4.1=3, 4383/4.1=3 HA ARG 124 - H ASN 130 OK 10 85 - 12 - 4375/4.1=4, 4383/4.1=4 Peak 7617 from nnoeabs.peaks (2.08, 8.68, 117.41 ppm; 3.89 A): 2 out of 10 assignments used, quality = 0.98: * HB2 PRO 129 + H ASN 130 OK 96 100 - 96 - 4.1=88, 2.3/7616=31...(11) HB2 GLU 131 + H ASN 130 OK 56 85 - 65 - 4.0/7628=23, 1.8/9545=15...(12) HB3 LYS 61 - H ASN 130 OK 23 100 - 23 - ~11296=6, 4368/3.6=3...(8) HB3 GLN 62 - H ASN 130 OK 21 92 - 22 - ~11399=5, 1765/3.6=5...(6) HG2 PRO 118 - H ASN 130 OK 13 85 - 16 - 9541/4.0=2, ~4415=2...(7) HG2 GLU 122 - H ASN 130 OK 13 100 - 13 - 4080/5.5=3, 10323/5.5=2...(5) HG3 PRO 33 - H ASN 130 OK 11 77 - 14 - 2.3/9545=4, ~10285=2...(5) HD2 ARG 49 - H ASN 130 OK 10 96 - 10 - 4384/4.1=3, 4368/3.6=3 HB2 LEU 26 - H ASN 130 lone 6 99 - 6 - 4368/3.6=1, 4384/4.1=1 HB3 LYS 36 - H ASN 130 lone 2 68 - 3 - Peak 7618 from nnoeabs.peaks (2.59, 8.68, 117.41 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + H ASN 130 OK 100 100 - 100 - 4.1=100 Peak 7619 from nnoeabs.peaks (2.17, 8.68, 117.41 ppm; 4.57 A): 4 out of 4 assignments used, quality = 0.91: * HG2 PRO 129 + H ASN 130 OK 76 100 - 76 - 3.8/7616=28, 2.3/7621=24...(9) HB3 LYS 86 + H ASN 130 OK 43 99 - 43 - 4378/4.1=12, 4386/4.1=12...(8) HB2 GLN 25 + H ASN 130 OK 22 85 - 26 - 4386/4.1=7, 4378/4.1=7...(6) HB3 PRO 57 + H ASN 130 OK 11 94 - 11 - 4370/3.6=3, 4378/4.1=2 Peak 7620 from nnoeabs.peaks (2.26, 8.68, 117.41 ppm; 4.52 A): 2 out of 7 assignments used, quality = 0.94: * HG3 PRO 129 + H ASN 130 OK 84 100 - 84 - 3.8/7616=28, 10379=26...(14) HG2 GLU 131 + H ASN 130 OK 59 81 - 73 - 5.0/7628=23, 1.8/9545=17...(17) HG3 GLU 142 - H ASN 130 OK 25 81 - 31 - 7652/4.6=4, 5.0/7628=4...(12) HB3 MET 113 - H ASN 130 OK 21 92 - 22 - 4387/4.1=4, 4379/4.1=4...(6) HG3 GLU 90 - H ASN 130 OK 19 96 - 20 - 4387/4.1=5, 4379/4.1=4...(6) HG2 GLU 90 - H ASN 130 OK 17 85 - 20 - 4387/4.1=4, 4379/4.1=4...(5) HG2 MET 113 - H ASN 130 OK 11 77 - 14 - 4387/4.1=3, 4379/4.1=3 Peak 7621 from nnoeabs.peaks (3.92, 8.68, 117.41 ppm; 4.09 A): 3 out of 4 assignments used, quality = 0.85: * HD2 PRO 129 + H ASN 130 OK 75 100 - 75 - 3.6/7616=25...(12) HA LYS 86 + H ASN 130 OK 26 85 - 31 - 4380/4.1=7, 3.0/7619=7...(7) HA2 GLY 143 + H ASN 130 OK 17 81 - 21 - 4380/4.1=6, 4388/4.1=6...(5) HA TYR 112 - H ASN 130 lone 7 81 - 9 - 4380/4.1=2, 4388/4.1=2 Peak 7622 from nnoeabs.peaks (3.94, 8.68, 117.41 ppm; 4.07 A): 4 out of 7 assignments used, quality = 0.84: * HD3 PRO 129 + H ASN 130 OK 70 100 - 70 - 3.6/7616=25...(9) HA LYS 86 + H ASN 130 OK 23 85 - 27 - 3.0/7619=7, 4389/4.1=6...(7) HA2 GLY 143 + H ASN 130 OK 20 89 - 23 - 4380/4.1=7, 4388/4.1=6...(5) HA LEU 29 + H ASN 130 OK 13 100 - 13 - 4389/4.1=3, 4381/4.1=3 HA ALA 60 - H ASN 130 lone 6 68 - 8 - 4.9/7623=2, 4381/4.1=1...(4) HA3 GLY 94 - H ASN 130 lone 3 68 - 5 - 3.0/9045=3 HA LYS 48 - H ASN 130 lone 3 81 - 3 - Peak 7623 from nnoeabs.peaks (4.57, 8.68, 117.41 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 130 + H ASN 130 OK 100 100 - 100 - 2.9=100 HA MET 59 - H ASN 130 OK 10 81 - 13 - 4418/4.0=2, 4425/4.0=2 Peak 7624 from nnoeabs.peaks (2.82, 8.68, 117.41 ppm; 3.20 A): 2 out of 5 assignments used, quality = 0.89: * HB2 ASN 130 + H ASN 130 OK 87 100 - 87 - 4.0=52, 1.8/7625=25...(15) HE3 LYS 114 + H ASN 130 OK 10 100 - 10 - 4409/2.9=3, 4426/4.0=2...(4) HB2 ASN 139 - H ASN 130 lone 7 100 - 7 - 4409/2.9=2, 10382/10379=1 HB2 ASP 40 - H ASN 130 lone 4 99 - 4 - 4409/2.9=1 HB3 ASN 54 - H ASN 130 lone 1 92 - 1 - Peak 7625 from nnoeabs.peaks (2.94, 8.68, 117.41 ppm; 3.10 A): 1 out of 11 assignments used, quality = 0.82: * HB3 ASN 130 + H ASN 130 OK 82 100 - 82 - 4.0=47, 1.8/7624=26...(10) HE3 LYS 93 - H ASN 130 lone 6 99 - 6 - HE2 LYS 61 - H ASN 130 lone 6 100 - 6 - 4410/2.9=1 HE3 LYS 61 - H ASN 130 lone 6 100 - 6 - 4410/2.9=1 HB2 HIS 14 - H ASN 130 lone 4 81 - 5 - 1.8/10539=2 HE3 LYS 85 - H ASN 130 lone 3 92 - 4 - HE2 LYS 93 - H ASN 130 lone 3 68 - 5 - HE2 LYS 85 - H ASN 130 lone 2 72 - 3 - HE3 LYS 48 - H ASN 130 lone 2 81 - 2 - HE2 LYS 48 - H ASN 130 lone 1 62 - 2 - HB2 TYR 115 - H ASN 130 lone 1 62 - 1 - Peak 7626 from nnoeabs.peaks (7.64, 8.68, 117.41 ppm; 5.47 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 130 + H ASN 130 OK 100 100 - 100 - 5.5=99, 7632/2.9=42...(10) H LEU 97 - H ASN 130 OK 29 85 - 34 - 10125=19, 4.8/10136=6...(5) H GLU 122 - H ASN 130 OK 12 98 - 12 - 4428/4.0=3, 4421/4.0=3...(5) H VAL 82 - H ASN 130 lone 8 85 - 10 - 2.9/10539=3...(4) H LEU 66 - H ASN 130 lone 4 100 - 4 - H GLY 50 - H ASN 130 lone 4 72 - 5 - Peak 7627 from nnoeabs.peaks (7.00, 8.68, 117.41 ppm; 4.81 A): 2 out of 6 assignments used, quality = 0.99: * HD22 ASN 130 + H ASN 130 OK 97 100 - 97 - 5.5=67, 7638/2.9=34...(12) HD22 ASN 128 + H ASN 130 OK 74 100 - 74 - 3.4/10539=31...(13) HZ PHE 45 - H ASN 130 OK 11 92 - 12 - 4429/4.0=3, 4422/4.0=3 QE PHE 43 - H ASN 130 OK 11 99 - 11 - 4422/4.0=1, 4429/4.0=1...(4) HZ PHE 67 - H ASN 130 lone 7 100 - 7 - HH2 TRP 17 - H ASN 130 lone 4 99 - 4 - Peak 7628 from nnoeabs.peaks (8.18, 8.68, 117.41 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.71: * H GLU 131 + H ASN 130 OK 67 100 - 67 - 4.6=32, 4423/4.0=13...(14) H GLU 142 + H ASN 130 OK 12 92 - 13 - 4423/4.0=2, 4430/4.0=2...(5) Peak 7629 from nnoeabs.peaks (7.73, 8.68, 117.41 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 132 + H ASN 130 OK 87 100 - 87 - 7658/2.9=28, 7657=27...(16) HD21 ASN 128 + H ASN 130 OK 56 92 - 61 - 3.4/10539=25...(11) H GLN 62 - H ASN 130 OK 18 100 - 18 - 6578/4.1=4, 7654/4.6=3...(6) H SER 100 - H ASN 130 OK 11 100 - 11 - 7654/4.6=2, 3.6/1348=2...(4) Peak 7630 from nnoeabs.peaks (7.64, 7.64, 113.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 130 + HD21 ASN 130 OK 100 100 - 100 Peak 7632 from nnoeabs.peaks (4.57, 7.64, 113.38 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.95: * HA ASN 130 + HD21 ASN 130 OK 95 100 - 95 - 4.4=68, 7638/1.7=30...(11) HA MET 59 - HD21 ASN 130 OK 10 81 - 12 - 7638/1.7=4, 4418/3.4=3...(4) Peak 7633 from nnoeabs.peaks (2.82, 7.64, 113.38 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 130 + HD21 ASN 130 OK 100 100 - 100 - 3.4=100 HE3 LYS 114 - HD21 ASN 130 OK 13 100 - 13 - 7639/1.7=4, 4426/3.4=3...(4) HB2 ASN 139 - HD21 ASN 130 lone 8 100 - 8 - 7639/1.7=2, 4426/3.4=1 HB2 ASP 40 - HD21 ASN 130 lone 7 99 - 6 - 7639/1.7=2, 4426/3.4=1 HB3 ASN 54 - HD21 ASN 130 lone 2 92 - 2 - Peak 7634 from nnoeabs.peaks (2.94, 7.64, 113.38 ppm; 3.33 A): 1 out of 11 assignments used, quality = 0.95: * HB3 ASN 130 + HD21 ASN 130 OK 95 100 - 95 - 3.4=91, 3.0/7632=19...(8) HE2 LYS 61 - HD21 ASN 130 lone 5 100 - 5 - 7640/1.7=1 HE3 LYS 61 - HD21 ASN 130 lone 5 100 - 5 - 7640/1.7=1 HE3 LYS 93 - HD21 ASN 130 lone 5 99 - 5 - 7640/1.7=1 HE3 LYS 85 - HD21 ASN 130 lone 4 92 - 4 - 7640/1.7=1 HB2 HIS 14 - HD21 ASN 130 lone 3 81 - 4 - HE2 LYS 93 - HD21 ASN 130 lone 3 68 - 4 - HE2 LYS 85 - HD21 ASN 130 lone 3 72 - 4 - HE3 LYS 48 - HD21 ASN 130 lone 1 81 - 2 - HE2 LYS 48 - HD21 ASN 130 lone 1 62 - 2 - HB2 TYR 115 - HD21 ASN 130 lone 1 62 - 2 - Peak 7635 from nnoeabs.peaks (7.00, 7.64, 113.38 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 130 + HD21 ASN 130 OK 100 100 - 100 - 1.7=100 HD22 ASN 128 - HD21 ASN 130 lone 9 100 - 9 - 4429/3.4=2, 4422/3.4=2...(6) HZ PHE 45 - HD21 ASN 130 lone 3 92 - 4 - QE PHE 43 - HD21 ASN 130 lone 2 99 - 2 - HZ PHE 67 - HD21 ASN 130 lone 1 100 - 1 - HH2 TRP 17 - HD21 ASN 130 lone 1 99 - 1 - Peak 7636 from nnoeabs.peaks (7.00, 7.00, 113.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 130 + HD22 ASN 130 OK 100 100 - 100 Peak 7638 from nnoeabs.peaks (4.57, 7.00, 113.38 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.99: * HA ASN 130 + HD22 ASN 130 OK 99 100 - 99 - 4.4=85, 7632/1.7=38...(12) HA MET 59 - HD22 ASN 130 OK 11 81 - 14 - 7632/1.7=4, 4418/3.4=4...(4) Peak 7639 from nnoeabs.peaks (2.82, 7.00, 113.38 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 130 + HD22 ASN 130 OK 100 100 - 100 - 3.4=100 HE3 LYS 114 - HD22 ASN 130 OK 16 100 - 15 - 7633/1.7=4, 4426/3.4=3...(4) HB2 ASN 139 - HD22 ASN 130 lone 9 100 - 9 - 7633/1.7=3, 4426/3.4=2 HB2 ASP 40 - HD22 ASN 130 lone 8 99 - 7 - 7633/1.7=2, 4426/3.4=1 HB3 ASN 54 - HD22 ASN 130 lone 2 92 - 2 - Peak 7640 from nnoeabs.peaks (2.94, 7.00, 113.38 ppm; 3.48 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ASN 130 + HD22 ASN 130 OK 100 100 - 100 - 3.4=100 HE2 LYS 61 - HD22 ASN 130 lone 6 100 - 6 - 7634/1.7=2, ~7634=1 HE3 LYS 61 - HD22 ASN 130 lone 6 100 - 6 - 7634/1.7=2, ~7634=1 HE3 LYS 93 - HD22 ASN 130 lone 5 99 - 5 - 7634/1.7=1 HE3 LYS 85 - HD22 ASN 130 lone 4 92 - 4 - 7634/1.7=1 HB2 HIS 14 - HD22 ASN 130 lone 4 81 - 4 - HE2 LYS 93 - HD22 ASN 130 lone 3 68 - 4 - HE2 LYS 85 - HD22 ASN 130 lone 3 72 - 4 - HE3 LYS 48 - HD22 ASN 130 lone 2 81 - 2 - HB2 TYR 115 - HD22 ASN 130 lone 1 62 - 2 - HE2 LYS 48 - HD22 ASN 130 lone 1 62 - 2 - Peak 7641 from nnoeabs.peaks (7.64, 7.00, 113.38 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 130 + HD22 ASN 130 OK 100 100 - 100 - 1.7=100 H LEU 97 - HD22 ASN 130 lone 5 85 - 6 - 10125/5.5=2, 4421/3.4=1 H GLU 122 - HD22 ASN 130 lone 5 98 - 5 - H VAL 82 - HD22 ASN 130 lone 2 85 - 2 - H LEU 66 - HD22 ASN 130 lone 1 100 - 1 - H GLY 50 - HD22 ASN 130 lone 0 72 - 1 - Peak 7642 from nnoeabs.peaks (8.18, 8.18, 122.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 131 + H GLU 131 OK 100 100 - 100 Peak 7643 from nnoeabs.peaks (8.68, 8.18, 122.13 ppm; 3.43 A): 2 out of 3 assignments used, quality = 0.80: * H ASN 130 + H GLU 131 OK 76 100 - 76 - 7628=42, 4.0/4423=15...(16) H VAL 53 + H GLU 131 OK 17 98 - 17 - 4407/3.6=4, 7657/4.5=3...(5) H THR 92 - H GLU 131 lone 5 92 - 6 - 4407/3.6=1, 10104/9551=1 Peak 7644 from nnoeabs.peaks (4.57, 8.18, 122.13 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 130 + H GLU 131 OK 100 100 - 100 - 3.6=100 HA MET 59 - H GLU 131 OK 11 81 - 13 - 7658/4.5=4, 4418/4.7=2...(5) Peak 7645 from nnoeabs.peaks (2.82, 8.18, 122.13 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.85: * HB2 ASN 130 + H GLU 131 OK 83 100 - 83 - 4.7=50, 1.8/4430=28...(8) HE3 LYS 114 + H GLU 131 OK 13 100 - 13 - 4409/3.6=3, 3.0/9550=3...(5) HB2 ASN 139 - H GLU 131 lone 6 100 - 6 - 4409/3.6=2, 7624/4.6=1 HB2 ASP 40 - H GLU 131 lone 4 99 - 4 - 4409/3.6=1 HB3 ASN 54 - H GLU 131 lone 1 92 - 1 - Peak 7646 from nnoeabs.peaks (2.94, 8.18, 122.13 ppm; 3.63 A): 1 out of 11 assignments used, quality = 0.81: * HB3 ASN 130 + H GLU 131 OK 81 100 - 81 - 4.7=48, 1.8/4423=28...(7) HE2 LYS 61 - H GLU 131 lone 10 100 - 10 - 4.8/9549=4, 1679/4.0=1 HE3 LYS 61 - H GLU 131 lone 10 100 - 10 - 4.8/9549=4, 1680/4.0=1 HE3 LYS 93 - H GLU 131 lone 6 99 - 5 - 4410/3.6=1 HE3 LYS 85 - H GLU 131 lone 5 92 - 5 - 9569/4.0=1 HE2 LYS 85 - H GLU 131 lone 3 72 - 5 - 9569/4.0=2 HE3 LYS 48 - H GLU 131 lone 3 81 - 4 - 9569/4.0=1 HE2 LYS 93 - H GLU 131 lone 3 68 - 4 - 9569/4.0=1 HB2 HIS 14 - H GLU 131 lone 3 81 - 3 - HE2 LYS 48 - H GLU 131 lone 2 62 - 4 - 9569/4.0=1 HB2 TYR 115 - H GLU 131 lone 1 62 - 2 - Peak 7649 from nnoeabs.peaks (4.14, 8.18, 122.13 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 131 + H GLU 131 OK 100 100 - 100 - 3.0=100 HA LEU 126 - H GLU 131 OK 18 96 - 19 - 4448/4.0=4, 4441/4.0=3...(8) HA LYS 76 - H GLU 131 OK 13 89 - 15 - 4448/4.0=3, 4441/4.0=3...(6) HA3 GLY 125 - H GLU 131 lone 4 81 - 4 - Peak 7650 from nnoeabs.peaks (2.09, 8.18, 122.13 ppm; 3.49 A): 2 out of 12 assignments used, quality = 0.95: * HB2 GLU 131 + H GLU 131 OK 92 100 - 92 - 4.0=66, 1.8/7651=24...(21) HB2 PRO 129 + H GLU 131 OK 42 85 - 50 - 4.1/7628=18, ~10402=6...(15) HB3 GLU 142 - H GLU 131 OK 38 85 - 44 - 4845=7, 1.8/4838=7...(16) HG3 PRO 33 - H GLU 131 OK 20 100 - 20 - 2.3/7653=4, 4433/3.0=3...(5) HG2 GLU 122 - H GLU 131 OK 17 89 - 19 - 3.0/9550=6, 3.0/9549=5...(5) HB3 LYS 61 - H GLU 131 OK 15 72 - 21 - 1.8/9549=6, 4441/3.0=3...(8) HG2 PRO 33 - H GLU 131 OK 13 72 - 18 - 2.3/7653=4, 4433/3.0=2...(8) HB VAL 53 - H GLU 131 poor 9 81 - 11 - 3.9/7643=3, 1386/4.6=2 HG2 PRO 118 - H GLU 131 lone 9 100 - 9 - 9541/4.7=2, 7661/4.5=2 HB3 LYS 36 - H GLU 131 lone 4 99 - 4 - HB2 LEU 26 - H GLU 131 lone 3 68 - 5 - HB3 GLN 25 - H GLU 131 lone 3 89 - 3 - Peak 7651 from nnoeabs.peaks (2.45, 8.18, 122.13 ppm; 2.89 A): 2 out of 4 assignments used, quality = 0.88: * HB3 GLU 131 + H GLU 131 OK 76 100 - 76 - 4.0=38, 1.8/4440=18...(21) HG3 GLU 131 + H GLU 131 OK 49 77 - 64 - 5.0=20, 2.9/4440=13...(17) HG3 GLU 28 - H GLU 131 lone 8 100 - 8 - 4436/3.0=2, 4445/4.0=2...(4) HG2 MET 11 - H GLU 131 lone 3 72 - 4 - Peak 7652 from nnoeabs.peaks (2.27, 8.18, 122.13 ppm; 3.40 A): 3 out of 8 assignments used, quality = 0.94: * HG2 GLU 131 + H GLU 131 OK 84 100 - 84 - 5.0=32, 1.8/4461=23...(20) HG3 GLU 142 + H GLU 131 OK 46 100 - 46 - 4859=7, 4435/3.0=7...(15) HG3 PRO 129 + H GLU 131 OK 32 81 - 39 - 10379/4.6=6, 2.3/10376=5...(15) HB3 MET 113 - H GLU 131 OK 13 100 - 13 - 9324/10410=2, 7663/4.5=2...(5) HG2 GLU 90 - H GLU 131 lone 8 100 - 8 - 7663/4.5=1 HG2 GLN 62 - H GLU 131 poor 7 68 - 11 - 11399/3.6=3, 4.9/7654=2 HG3 GLU 75 - H GLU 131 lone 3 62 - 4 - HG3 GLU 81 - H GLU 131 lone 2 72 - 3 - Peak 7653 from nnoeabs.peaks (2.44, 8.18, 122.13 ppm; 2.89 A): 3 out of 6 assignments used, quality = 0.89: * HG3 GLU 131 + H GLU 131 OK 68 100 - 68 - 5.0=20, 2.9/4440=13...(18) HB3 GLU 131 + H GLU 131 OK 58 77 - 75 - 4.0=38, 1.8/4440=18...(20) HB3 PRO 33 + H GLU 131 OK 18 94 - 19 - 9542/4.7=5, 9539/4.7=2...(7) HG2 MET 11 - H GLU 131 lone 5 100 - 5 - HG3 GLU 28 - H GLU 131 lone 4 72 - 6 - 4434/3.0=1, 4443/4.0=1 HG2 MET 68 - H GLU 131 lone 2 81 - 2 - Peak 7654 from nnoeabs.peaks (7.73, 8.18, 122.13 ppm; 3.12 A): 4 out of 4 assignments used, quality = 0.89: * H LEU 132 + H GLU 131 OK 73 100 - 73 - 7659=38, 7658/3.6=13...(14) HD21 ASN 128 + H GLU 131 OK 43 92 - 46 - 3.4/10357=9, 10373=7...(11) H GLN 62 + H GLU 131 OK 16 100 - 16 - 4.6/9549=3, 4437/3.0=2...(7) H SER 100 + H GLU 131 OK 12 100 - 11 - 4.6/10393=1, 4437/3.0=1...(4) Peak 7655 from nnoeabs.peaks (8.04, 8.18, 122.13 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.88: * H GLN 133 + H GLU 131 OK 85 100 - 85 - 7675=36, 7674/3.6=25...(13) H ILE 58 + H GLU 131 OK 18 89 - 20 - 7671/4.5=6, 4.5/9551=4...(6) H ARG 144 - H GLU 131 lone 5 72 - 7 - 4.6/7864=3, 7671/4.5=1 Peak 7656 from nnoeabs.peaks (7.73, 7.73, 121.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 132 + H LEU 132 OK 100 100 - 100 Peak 7657 from nnoeabs.peaks (8.68, 7.73, 121.57 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.94: * H ASN 130 + H LEU 132 OK 90 100 - 90 - 2.9/7658=31, 7628/4.5=26...(17) H VAL 53 + H LEU 132 OK 36 98 - 37 - 4.0/9548=8, 3.0/7665=7...(10) H THR 92 + H LEU 132 OK 10 92 - 11 - 7066/2.8=2, 7643/4.5=2...(4) Peak 7658 from nnoeabs.peaks (4.57, 7.73, 121.57 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.64: * HA ASN 130 + H LEU 132 OK 57 100 - 57 - 3.6/7659=22, 7674/4.7=15...(6) HA MET 59 + H LEU 132 OK 15 81 - 18 - 3.0/8296=4, 7674/4.7=2...(7) Peak 7659 from nnoeabs.peaks (8.18, 7.73, 121.57 ppm; 3.03 A): 2 out of 2 assignments used, quality = 0.76: * H GLU 131 + H LEU 132 OK 69 100 - 69 - 4.5=31, 3.6/7658=13...(14) H GLU 142 + H LEU 132 OK 22 92 - 24 - 4431/3.6=5, 4440/4.6=4...(8) Peak 7660 from nnoeabs.peaks (4.14, 7.73, 121.57 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 131 + H LEU 132 OK 100 100 - 100 - 3.6=100 HA LEU 126 - H LEU 132 OK 17 96 - 18 - 4448/4.6=3, 4441/4.6=3...(7) HA LYS 76 - H LEU 132 OK 11 89 - 13 - 4448/4.6=3, 4441/4.6=2...(5) HA3 GLY 125 - H LEU 132 lone 4 81 - 4 - Peak 7661 from nnoeabs.peaks (2.09, 7.73, 121.57 ppm; 3.61 A): 5 out of 12 assignments used, quality = 0.95: * HB2 GLU 131 + H LEU 132 OK 77 100 - 77 - 4.6=47, 1.8/7662=23...(10) HB2 PRO 129 + H LEU 132 OK 40 85 - 47 - 2.3/10403=24...(7) HG2 PRO 118 + H LEU 132 OK 29 100 - 29 - 2.3/7665=4, 2.3/7667=4...(12) HB3 LYS 61 + H LEU 132 OK 28 72 - 38 - 3.0/1659=6, 3.0/7666=5...(13) HB VAL 53 + H LEU 132 OK 27 81 - 33 - 2.1/9548=9, 3.0/7665=5...(9) HB3 GLU 142 - H LEU 132 OK 19 85 - 22 - 4.0/7659=6, 4433/3.6=4...(5) HG3 PRO 33 - H LEU 132 OK 16 100 - 16 - 2.3/7664=3, 4433/3.6=2...(4) HB3 LYS 36 - H LEU 132 OK 10 99 - 10 - 3.0/9590=6 HB2 LEU 26 - H LEU 132 poor 9 68 - 13 - 3.0/7665=3, ~252=1 HG2 PRO 33 - H LEU 132 poor 9 72 - 12 - 2.3/7664=3, 4433/3.6=1...(4) HG2 GLU 122 - H LEU 132 lone 9 89 - 10 - 4083/3.6=2, ~4477=1...(4) HB3 GLN 25 - H LEU 132 lone 4 89 - 4 - Peak 7662 from nnoeabs.peaks (2.45, 7.73, 121.57 ppm; 3.39 A): 3 out of 4 assignments used, quality = 0.80: * HB3 GLU 131 + H LEU 132 OK 65 100 - 65 - 4.6=39, 4.0/7659=16...(10) HG3 GLU 131 + H LEU 132 OK 36 77 - 47 - 5.0/7659=11, 4436/3.6=9...(9) HG3 GLU 28 + H LEU 132 OK 10 100 - 10 - 4436/3.6=2, 332/7672=2...(5) HG2 MET 11 - H LEU 132 lone 2 72 - 3 - Peak 7663 from nnoeabs.peaks (2.27, 7.73, 121.57 ppm; 4.16 A): 4 out of 8 assignments used, quality = 0.93: * HG2 GLU 131 + H LEU 132 OK 71 100 - 71 - 2.9/7662=22, 1.8/7664=19...(14) HG3 PRO 129 + H LEU 132 OK 42 81 - 52 - 3.8/10403=21, 4435/3.6=6...(13) HG3 GLU 142 + H LEU 132 OK 38 100 - 39 - 4435/3.6=8, 4444/4.6=7...(9) HB3 MET 113 + H LEU 132 OK 31 100 - 31 - 9324/4.4=13, 9323/4.1=10...(7) HG2 GLN 62 - H LEU 132 OK 24 68 - 35 - 2.9/1756=7, 2.9/1764=7...(9) HG2 GLU 90 - H LEU 132 OK 20 100 - 20 - 3.8/7665=3, 2932/2.8=2...(10) HG3 GLU 81 - H LEU 132 poor 8 72 - 11 - 8790/4.4=6, 9969/9547=2 HG3 GLU 75 - H LEU 132 lone 5 62 - 7 - 8643/8294=2, 8512/7670=1 Peak 7664 from nnoeabs.peaks (2.44, 7.73, 121.57 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.79: * HG3 GLU 131 + H LEU 132 OK 53 100 - 53 - 4462/3.6=13, 5.0/7659=11...(12) HB3 GLU 131 + H LEU 132 OK 49 77 - 64 - 4.6=39, 4.0/7659=16...(8) HB3 PRO 33 + H LEU 132 OK 12 94 - 13 - 4436/3.6=2, 7653/4.5=2...(5) HG3 GLU 28 - H LEU 132 lone 6 72 - 8 - 4434/3.6=2, 4443/4.6=1...(4) HG2 MET 11 - H LEU 132 lone 4 100 - 4 - HG2 MET 68 - H LEU 132 lone 3 81 - 4 - Peak 7665 from nnoeabs.peaks (4.08, 7.73, 121.57 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 132 + H LEU 132 OK 100 100 - 100 - 2.8=100 HA VAL 53 - H LEU 132 OK 34 100 - 34 - 3.2/9548=6, 3.0/7657=4...(17) HD3 PRO 118 - H LEU 132 OK 23 77 - 30 - 2.3/7661=3, 7678/4.7=3...(17) HA LEU 26 - H LEU 132 OK 19 96 - 20 - 10547/4.1=4, 4479/3.6=2...(7) HA GLU 90 - H LEU 132 OK 17 100 - 17 - 4511/4.1=3, 4503/4.4=2...(7) HA LYS 34 - H LEU 132 OK 14 100 - 14 - 4.0/10425=3, 10871/4.1=2...(6) Peak 7666 from nnoeabs.peaks (1.26, 7.73, 121.57 ppm; 3.22 A): 3 out of 6 assignments used, quality = 0.96: * HB2 LEU 132 + H LEU 132 OK 90 100 - 90 - 3.6=72, 3.2/7669=16...(17) HG3 LYS 61 + H LEU 132 OK 34 100 - 34 - 3.0/1681=4, 4470/2.8=4...(15) HG2 LYS 61 + H LEU 132 OK 33 99 - 34 - 3.0/1681=4, 4470/2.8=4...(14) QG2 THR 99 - H LEU 132 OK 22 100 - 22 - 10150=5, 4470/2.8=3...(9) HB3 LEU 97 - H LEU 132 OK 15 99 - 15 - 4470/2.8=3, 4488/3.6=2...(6) QG2 THR 102 - H LEU 132 lone 4 94 - 4 - Peak 7667 from nnoeabs.peaks (1.92, 7.73, 121.57 ppm; 3.16 A): 3 out of 13 assignments used, quality = 0.93: * HB3 LEU 132 + H LEU 132 OK 88 100 - 88 - 3.6=69, 1.8/7666=15...(13) HB2 GLN 62 + H LEU 132 OK 27 100 - 27 - 1756=5, 1.8/1764=4...(10) HB ILE 136 + H LEU 132 OK 24 77 - 31 - 2.5/9663=5, ~10292=4...(11) HB2 PRO 118 - H LEU 132 OK 23 100 - 24 - 7680/4.7=3, 4471/2.8=3...(12) HG13 ILE 83 - H LEU 132 OK 16 85 - 18 - ~10031=4, ~10010=3...(7) HB2 MET 59 - H LEU 132 OK 14 98 - 14 - 3.0/7658=4, 3.9/8296=2 HG3 PRO 12 - H LEU 132 OK 10 100 - 10 - 103/3.6=2, 4471/2.8=2...(4) HG2 PRO 12 - H LEU 132 lone 10 100 - 10 - 4471/2.8=2, 4481/3.6=1 HB2 LYS 86 - H LEU 132 lone 9 92 - 10 - 4471/2.8=1, 4481/3.6=1...(6) HB3 PRO 52 - H LEU 132 lone 6 72 - 9 - 3.9/7657=3, 2.3/3294=1 HB2 ARG 140 - H LEU 132 lone 4 100 - 4 - HG2 PRO 52 - H LEU 132 lone 3 68 - 5 - HB2 ARG 89 - H LEU 132 lone 3 89 - 3 - Peak 7668 from nnoeabs.peaks (1.38, 7.73, 121.57 ppm; 3.66 A): 6 out of 7 assignments used, quality = 0.95: * HG LEU 132 + H LEU 132 OK 87 100 - 87 - 4.8=44, 2.1/7669=26...(16) HB3 LEU 39 + H LEU 132 OK 20 100 - 20 - 4514/4.1=3, 4482/3.6=3...(6) HB VAL 82 + H LEU 132 OK 19 96 - 20 - 4472/2.8=4, 4490/3.6=4...(6) HG2 ARG 49 + H LEU 132 OK 19 89 - 21 - 4472/2.8=3, 4490/3.6=3...(10) HB2 LEU 69 + H LEU 132 OK 17 96 - 18 - 4514/4.1=4, 4482/3.6=3...(6) HG2 LYS 86 + H LEU 132 OK 10 72 - 14 - 4490/3.6=2, 4482/3.6=2...(7) HB2 ARG 109 - H LEU 132 lone 10 100 - 10 - 4514/4.1=2, 4472/2.8=2...(5) Peak 7669 from nnoeabs.peaks (0.40, 7.73, 121.57 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.91: * QD2 LEU 132 + H LEU 132 OK 86 100 - 86 - 4.4=48, 2.1/7670=15...(15) HG3 LYS 123 + H LEU 132 OK 35 96 - 37 - 4473/2.8=9, 4491/3.6=8...(7) Peak 7670 from nnoeabs.peaks (0.59, 7.73, 121.57 ppm; 3.55 A): 2 out of 5 assignments used, quality = 0.95: * QD1 LEU 132 + H LEU 132 OK 91 100 - 91 - 4.1=66, 2.1/7669=25...(13) QG2 ILE 58 + H LEU 132 OK 40 89 - 45 - 8294=12, 4.0/7671=5...(16) QG1 VAL 71 - H LEU 132 OK 31 98 - 31 - 4474/2.8=6, 4492/3.6=5...(10) QD1 LEU 66 - H LEU 132 OK 21 81 - 26 - 4474/2.8=5, 4484/3.6=4...(6) QD1 ILE 56 - H LEU 132 OK 12 85 - 14 - 4474/2.8=3, 4484/3.6=2...(6) Peak 7671 from nnoeabs.peaks (8.04, 7.73, 121.57 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.81: * H GLN 133 + H LEU 132 OK 75 100 - 75 - 4.7=31, 3.2/7672=23...(15) H ILE 58 + H LEU 132 OK 26 89 - 29 - 4.0/8294=5, 4475/2.8=4...(10) H ARG 144 - H LEU 132 lone 5 72 - 7 - 4475/2.8=1 Peak 7672 from nnoeabs.peaks (7.69, 7.73, 121.57 ppm; 2.66 A): 1 out of 3 assignments used, quality = 0.60: * H ALA 134 + H LEU 132 OK 60 100 - 60 - 7712=40, 3.2/7671=11...(9) H GLU 28 - H LEU 132 lone 6 98 - 6 - 4438/3.6=2, 6112/4.6=2 H PHE 106 - H LEU 132 lone 4 99 - 4 - 7691/4.7=1 Peak 7673 from nnoeabs.peaks (8.04, 8.04, 118.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 133 + H GLN 133 OK 100 100 - 100 Peak 7674 from nnoeabs.peaks (4.57, 8.04, 118.25 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.83: * HA ASN 130 + H GLN 133 OK 81 100 - 81 - 4414=40, 3.6/7655=17...(12) HA MET 59 + H GLN 133 OK 13 81 - 15 - 7658/4.7=4, 7710/3.2=3...(5) Peak 7675 from nnoeabs.peaks (8.18, 8.04, 118.25 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.91: * H GLU 131 + H GLN 133 OK 88 100 - 88 - 7655=39, 3.6/7674=27...(13) H GLU 142 + H GLN 133 OK 21 92 - 23 - 7659/4.7=6, 10418/3.6=5...(7) Peak 7676 from nnoeabs.peaks (4.14, 8.04, 118.25 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.87: * HA GLU 131 + H GLN 133 OK 80 100 - 80 - 3.0/7655=33, 4438/3.2=32...(9) HA LEU 126 + H GLN 133 OK 20 96 - 21 - 7711/3.2=4, 7660/4.7=4...(7) HA LYS 76 + H GLN 133 OK 18 89 - 20 - 7711/3.2=7, 4574/9660=4...(6) HA3 GLY 125 - H GLN 133 lone 8 81 - 9 - 7711/3.2=2, ~7725=1...(4) Peak 7677 from nnoeabs.peaks (7.73, 8.04, 118.25 ppm; 3.02 A): 3 out of 4 assignments used, quality = 0.84: * H LEU 132 + H GLN 133 OK 73 100 - 73 - 7671=31, 7672/3.2=21...(15) H SER 100 + H GLN 133 OK 25 100 - 26 - 9166/3.8=4, 4478/3.8=3...(10) H GLN 62 + H GLN 133 OK 22 100 - 22 - 4486/3.8=3, 8337/4.6=3...(7) HD21 ASN 128 - H GLN 133 poor 10 92 - 11 - 10373/7655=2, 4468/3.6=1 Peak 7678 from nnoeabs.peaks (4.08, 8.04, 118.25 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 132 + H GLN 133 OK 100 100 - 100 - 3.6=100 HD3 PRO 118 + H GLN 133 OK 65 77 - 84 - 1.8/7684=12, 2.3/7685=10...(40) HA VAL 53 - H GLN 133 OK 41 100 - 41 - 3.2/9622=6, 4511/4.6=5...(11) HA LEU 26 - H GLN 133 OK 31 96 - 32 - 10547/4.6=7...(10) HA LYS 34 - H GLN 133 OK 27 100 - 27 - 10871/4.6=3, 10581/4.0=3...(11) HA GLU 90 - H GLN 133 OK 24 100 - 24 - 4511/4.6=4, 4503/4.7=4...(10) Peak 7679 from nnoeabs.peaks (1.26, 8.04, 118.25 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + H GLN 133 OK 100 100 - 100 - 3.8=100 HG3 LYS 61 - H GLN 133 OK 33 100 - 33 - 10528/3.2=5, 4488/3.8=5...(9) HG2 LYS 61 - H GLN 133 OK 32 99 - 33 - 4488/3.8=5, 4470/3.6=5...(9) QG2 THR 99 - H GLN 133 OK 29 100 - 30 - 4.0/7677=5, 10119/2.8=5...(12) HB3 LEU 97 - H GLN 133 OK 19 99 - 19 - 4488/3.8=3, 4470/3.6=3...(7) QG2 THR 102 - H GLN 133 lone 5 94 - 6 - Peak 7680 from nnoeabs.peaks (1.92, 8.04, 118.25 ppm; 3.47 A): 2 out of 13 assignments used, quality = 0.98: * HB3 LEU 132 + H GLN 133 OK 92 100 - 92 - 3.8=77, 3.6/7671=18...(20) HB2 PRO 118 + H GLN 133 OK 73 100 - 73 - 2.3/7685=8, 4528/2.8=8...(40) HB ILE 136 - H GLN 133 OK 43 77 - 56 - ~9618=6, ~9618=6...(23) HB2 GLN 62 - H GLN 133 OK 19 100 - 19 - 8347/4.6=4, 4.0/7677=4...(7) HG13 ILE 83 - H GLN 133 OK 14 85 - 16 - 4481/3.8=2, 4513/4.6=2...(8) HG3 PRO 12 - H GLN 133 OK 12 100 - 12 - 103/3.8=2, 4471/3.6=2...(5) HB2 MET 59 - H GLN 133 OK 12 98 - 12 - 3.0/7674=3, ~7710=1 HG2 PRO 12 - H GLN 133 OK 12 100 - 12 - 4481/3.8=1, 4471/3.6=1...(4) HB2 LYS 86 - H GLN 133 OK 11 92 - 12 - 4481/3.8=2, 2685/4.9=1...(6) HB2 ARG 140 - H GLN 133 lone 8 100 - 8 - HB2 ARG 89 - H GLN 133 lone 5 89 - 6 - HB3 PRO 52 - H GLN 133 lone 5 72 - 7 - HG2 PRO 52 - H GLN 133 lone 4 68 - 5 - Peak 7681 from nnoeabs.peaks (1.38, 8.04, 118.25 ppm; 3.97 A): 3 out of 7 assignments used, quality = 0.95: * HG LEU 132 + H GLN 133 OK 88 100 - 88 - 4.9=53, 2.1/7682=23...(18) HB3 LEU 39 + H GLN 133 OK 38 100 - 38 - 10311/2.8=6, ~9616=6...(14) HB2 LEU 69 + H GLN 133 OK 27 96 - 28 - 10311/2.8=4, 4514/4.6=4...(12) HB VAL 82 - H GLN 133 OK 21 96 - 22 - 4472/3.6=4, 4490/3.8=4...(8) HG2 ARG 49 - H GLN 133 OK 20 89 - 22 - 4490/3.8=3, 4501=3...(9) HB2 ARG 109 - H GLN 133 OK 11 100 - 11 - 4514/4.6=2, 4472/3.6=2...(7) HG2 LYS 86 - H GLN 133 OK 11 72 - 16 - 4490/3.8=2, 4482/3.8=2...(8) Peak 7682 from nnoeabs.peaks (0.40, 8.04, 118.25 ppm; 3.91 A): 2 out of 2 assignments used, quality = 0.96: * QD2 LEU 132 + H GLN 133 OK 91 100 - 91 - 4.7=57, 4.4/7671=17...(24) HG3 LYS 123 + H GLN 133 OK 51 96 - 53 - 9619/2.8=16, 4491/3.8=10...(10) Peak 7683 from nnoeabs.peaks (0.59, 8.04, 118.25 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.98: * QD1 LEU 132 + H GLN 133 OK 97 100 - 97 - 4.6=74, 2.1/7682=25...(22) QG1 VAL 71 + H GLN 133 OK 50 98 - 51 - 9620/2.8=8, 4474/3.6=7...(18) QG2 ILE 58 - H GLN 133 OK 42 89 - 48 - 1561=8, 8294/4.7=6...(14) QD1 LEU 66 - H GLN 133 OK 41 81 - 50 - 1907/2.8=7, 4484/3.8=6...(20) QD1 ILE 56 - H GLN 133 OK 22 85 - 26 - 9620/2.8=5, 4484/3.8=3...(11) Peak 7684 from nnoeabs.peaks (3.83, 8.04, 118.25 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 133 + H GLN 133 OK 100 100 - 100 - 2.8=100 HD2 PRO 118 + H GLN 133 OK 63 99 - 64 - 2.3/7685=7, 7715/3.2=6...(39) HB2 SER 100 - H GLN 133 OK 22 100 - 22 - 4.1/7677=4, 9164/3.8=3...(8) HA LEU 66 - H GLN 133 OK 18 89 - 20 - 1876/4.6=3, 4.0/7683=2...(8) HA ALA 104 - H GLN 133 OK 17 94 - 18 - ~10192=4, 7715/3.2=3...(5) HA MET 68 - H GLN 133 OK 15 89 - 17 - 8438/4.6=2, ~6663=2...(4) HB2 SER 127 - H GLN 133 OK 10 85 - 12 - 9520/9957=2, ~4326=1 HA3 GLY 50 - H GLN 133 lone 2 77 - 3 - Peak 7685 from nnoeabs.peaks (2.14, 8.04, 118.25 ppm; 2.85 A): 3 out of 6 assignments used, quality = 0.97: * HB2 GLN 133 + H GLN 133 OK 77 100 - 77 - 4.0=37, 1.8/4540=14...(29) HB3 GLN 133 + H GLN 133 OK 77 100 - 77 - 4.0=37, 1.8/4530=14...(29) HG3 PRO 118 + H GLN 133 OK 47 96 - 49 - 2.3/7684=6, 2.3/7680=5...(28) HG LEU 29 - H GLN 133 OK 18 68 - 27 - 3.0/9623=5, ~9616=4...(9) HG2 GLU 81 - H GLN 133 lone 5 100 - 5 - 8782/4.7=1 HG2 GLN 111 - H GLN 133 lone 1 68 - 1 - Peak 7686 from nnoeabs.peaks (2.14, 8.04, 118.25 ppm; 2.85 A): 3 out of 6 assignments used, quality = 0.97: HB2 GLN 133 + H GLN 133 OK 77 100 - 77 - 4.0=37, 1.8/4540=14...(29) * HB3 GLN 133 + H GLN 133 OK 77 100 - 77 - 4.0=37, 1.8/4530=14...(29) HG3 PRO 118 + H GLN 133 OK 45 94 - 48 - 2.3/7684=6, 2.3/7680=5...(26) HG LEU 29 - H GLN 133 OK 19 72 - 27 - 3.0/9623=5, ~9616=4...(10) HG2 GLU 81 - H GLN 133 lone 5 99 - 5 - 8782/4.7=1 HG2 GLN 111 - H GLN 133 lone 1 62 - 1 - Peak 7687 from nnoeabs.peaks (2.42, 8.04, 118.25 ppm; 3.37 A): 3 out of 8 assignments used, quality = 0.99: * HG2 GLN 133 + H GLN 133 OK 86 100 - 86 - 4.5=41, 2.9/4530=14...(31) HG3 GLN 133 + H GLN 133 OK 86 100 - 86 - 4.5=41, 2.9/4530=14...(31) HB3 PRO 118 + H GLN 133 OK 65 100 - 65 - 1.8/7680=8, 2.3/7685=8...(29) HG3 GLN 47 - H GLN 133 OK 32 99 - 32 - 4549=6, 1.8/4549=4...(14) HG2 GLN 47 - H GLN 133 OK 32 99 - 32 - 4549=6, 1.8/4549=4...(14) HG2 MET 68 - H GLN 133 OK 13 89 - 14 - 4522/2.8=1, ~9613=1...(5) QE MET 46 - H GLN 133 OK 10 99 - 10 - 10694/3.6=2, 10481/10389=1 HB3 PRO 33 - H GLN 133 lone 4 72 - 5 - Peak 7688 from nnoeabs.peaks (2.42, 8.04, 118.25 ppm; 3.37 A): 3 out of 8 assignments used, quality = 0.99: HG2 GLN 133 + H GLN 133 OK 86 100 - 86 - 4.5=41, 2.9/4530=14...(31) * HG3 GLN 133 + H GLN 133 OK 86 100 - 86 - 4.5=41, 2.9/4530=14...(31) HB3 PRO 118 + H GLN 133 OK 65 100 - 65 - 1.8/7680=8, 2.3/7685=8...(29) HG3 GLN 47 - H GLN 133 OK 32 98 - 32 - 4549=6, 1.8/4549=4...(14) HG2 GLN 47 - H GLN 133 OK 32 98 - 32 - 4549=6, 1.8/4549=4...(14) HG2 MET 68 - H GLN 133 OK 12 85 - 14 - 4522/2.8=1, ~9613=1...(5) QE MET 46 - H GLN 133 OK 10 100 - 10 - 10694/3.6=2, 10481/10389=1 HB3 PRO 33 - H GLN 133 lone 3 68 - 5 - Peak 7691 from nnoeabs.peaks (7.69, 8.04, 118.25 ppm; 3.02 A): 1 out of 3 assignments used, quality = 0.95: * H ALA 134 + H GLN 133 OK 95 100 - 95 - 3.2=81, 2.9/9660=17...(25) H PHE 106 - H GLN 133 OK 15 99 - 15 - 4526/2.8=4, 4575/9660=1 H GLU 28 - H GLN 133 lone 9 98 - 10 - 4526/2.8=2, ~304=1, 7672/4.7=1 Peak 7692 from nnoeabs.peaks (7.85, 8.04, 118.25 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.99: * H ALA 135 + H GLN 133 OK 96 100 - 96 - 7729=38, 3.5/7714=35...(24) H TYR 119 + H GLN 133 OK 66 100 - 66 - 4476/3.6=11, 7467/2.8=11...(17) H ARG 55 - H GLN 133 lone 3 77 - 4 - H TRP 17 - H GLN 133 lone 1 68 - 2 - Peak 7693 from nnoeabs.peaks (6.81, 6.81, 114.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 133 + HE21 GLN 133 OK 100 100 - 100 Peak 7695 from nnoeabs.peaks (3.83, 6.81, 114.47 ppm; 4.31 A): 2 out of 8 assignments used, quality = 0.93: * HA GLN 133 + HE21 GLN 133 OK 87 100 - 87 - 5.3=53, 4525/1.7=36...(12) HD2 PRO 118 + HE21 GLN 133 OK 45 99 - 45 - 7703/1.7=10, 2.3/7696=5...(13) HA MET 68 - HE21 GLN 133 OK 22 89 - 25 - 7703/1.7=4, 2.9/6668=3...(10) HA LEU 66 - HE21 GLN 133 OK 14 89 - 15 - 7703/1.7=2, 3.6/6656=2...(7) HA ALA 104 - HE21 GLN 133 OK 13 94 - 14 - 7703/1.7=3, 9666/9664=1 HB2 SER 100 - HE21 GLN 133 OK 11 100 - 11 - 7703/1.7=2, 7684/6.4=1 HB2 SER 127 - HE21 GLN 133 lone 8 85 - 9 - 7703/1.7=2, 9666/9664=1 HA3 GLY 50 - HE21 GLN 133 lone 2 77 - 3 - Peak 7696 from nnoeabs.peaks (2.14, 6.81, 114.47 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 133 + HE21 GLN 133 OK 99 100 - 99 - 4.5=99 HB3 GLN 133 + HE21 GLN 133 OK 99 100 - 99 - 4.5=99 HG3 PRO 118 - HE21 GLN 133 OK 42 96 - 44 - 2.3/7695=8, ~7703=7...(10) HG LEU 29 - HE21 GLN 133 OK 17 68 - 25 - 2.1/9610=17, 4521/5.3=2...(6) HG2 GLU 81 - HE21 GLN 133 lone 5 100 - 5 - 7704/1.7=1, 2461/9983=1 HG2 GLN 111 - HE21 GLN 133 lone 3 68 - 5 - ~9603=2 Peak 7697 from nnoeabs.peaks (2.14, 6.81, 114.47 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 133 + HE21 GLN 133 OK 99 100 - 99 - 4.5=99 HB2 GLN 133 + HE21 GLN 133 OK 99 100 - 99 - 4.5=99 HG3 PRO 118 - HE21 GLN 133 OK 41 94 - 43 - 2.3/7695=8, ~7703=7...(10) HG LEU 29 - HE21 GLN 133 OK 18 72 - 25 - 2.1/9610=17, 4521/5.3=2...(6) HG2 GLU 81 - HE21 GLN 133 lone 5 99 - 5 - 7704/1.7=1, 2461/9983=1 HG2 GLN 111 - HE21 GLN 133 lone 3 62 - 5 - ~9603=2 Peak 7698 from nnoeabs.peaks (2.42, 6.81, 114.47 ppm; 2.78 A): 2 out of 8 assignments used, quality = 0.94: * HG2 GLN 133 + HE21 GLN 133 OK 77 100 - 77 - 3.5=49, 4565/1.7=14...(13) HG3 GLN 133 + HE21 GLN 133 OK 77 100 - 77 - 3.5=49, 4565/1.7=14...(13) HB3 PRO 118 - HE21 GLN 133 OK 19 100 - 19 - 7707/1.7=3, 3.0/7695=3...(9) HG3 GLN 47 - HE21 GLN 133 OK 16 99 - 16 - 4556/1.7=3, 4555=3...(7) HG2 GLN 47 - HE21 GLN 133 OK 16 99 - 16 - 4556/1.7=3, 4555=3...(7) HG2 MET 68 - HE21 GLN 133 lone 5 89 - 6 - 3.7/7695=1 QE MET 46 - HE21 GLN 133 lone 3 99 - 3 - HB3 PRO 33 - HE21 GLN 133 lone 1 72 - 1 - Peak 7699 from nnoeabs.peaks (2.42, 6.81, 114.47 ppm; 2.78 A): 2 out of 8 assignments used, quality = 0.94: * HG3 GLN 133 + HE21 GLN 133 OK 77 100 - 77 - 3.5=49, 4565/1.7=14...(13) HG2 GLN 133 + HE21 GLN 133 OK 77 100 - 77 - 3.5=49, 4565/1.7=14...(13) HB3 PRO 118 - HE21 GLN 133 OK 19 100 - 19 - 7707/1.7=3, 3.0/7695=3...(9) HG3 GLN 47 - HE21 GLN 133 OK 15 98 - 16 - 4556/1.7=3, 4555=3...(7) HG2 GLN 47 - HE21 GLN 133 OK 15 98 - 16 - 4556/1.7=3, 4555=3...(7) HG2 MET 68 - HE21 GLN 133 lone 5 85 - 6 - 3.7/7695=1 QE MET 46 - HE21 GLN 133 lone 3 100 - 3 - 10493/9610=1 HB3 PRO 33 - HE21 GLN 133 lone 1 68 - 1 - Peak 7700 from nnoeabs.peaks (7.79, 6.81, 114.47 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 133 + HE21 GLN 133 OK 100 100 - 100 - 1.7=100 Peak 7701 from nnoeabs.peaks (7.79, 7.79, 114.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 133 + HE22 GLN 133 OK 100 100 - 100 Peak 7703 from nnoeabs.peaks (3.83, 7.79, 114.47 ppm; 3.80 A): 3 out of 8 assignments used, quality = 0.85: * HA GLN 133 + HE22 GLN 133 OK 73 100 - 73 - 5.3=36, 7695/1.7=13...(11) HD2 PRO 118 + HE22 GLN 133 OK 36 99 - 36 - 7695/1.7=7, 2.3/7704=4...(12) HA MET 68 + HE22 GLN 133 OK 15 89 - 17 - 7695/1.7=3, 8436/9607=3...(6) HA ALA 104 - HE22 GLN 133 poor 10 94 - 11 - 7695/1.7=2, 10328/9607=2...(4) HA LEU 66 - HE22 GLN 133 lone 9 89 - 10 - 7695/1.7=2, 10328/9607=2 HB2 SER 100 - HE22 GLN 133 lone 7 100 - 7 - 7695/1.7=2 HB2 SER 127 - HE22 GLN 133 lone 6 85 - 7 - 7695/1.7=1, 9520/9607=1 HA3 GLY 50 - HE22 GLN 133 lone 1 77 - 2 - Peak 7704 from nnoeabs.peaks (2.14, 7.79, 114.47 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 133 + HE22 GLN 133 OK 97 100 - 97 - 4.5=84, 3.0/4525=28...(14) HB3 GLN 133 + HE22 GLN 133 OK 97 100 - 97 - 4.5=84, 3.0/4525=28...(14) HG3 PRO 118 - HE22 GLN 133 OK 39 96 - 41 - 2.3/7703=9, 7696/1.7=6...(11) HG LEU 29 - HE22 GLN 133 OK 13 68 - 19 - ~9610=11, 7697/1.7=2...(6) HG2 GLU 81 - HE22 GLN 133 lone 8 100 - 8 - 8781/11404=5 HG2 GLN 111 - HE22 GLN 133 lone 3 68 - 5 - 1.8/9603=2 Peak 7705 from nnoeabs.peaks (2.14, 7.79, 114.47 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 133 + HE22 GLN 133 OK 97 100 - 97 - 4.5=84, 3.0/4525=28...(14) HB2 GLN 133 + HE22 GLN 133 OK 97 100 - 97 - 4.5=84, 3.0/4525=28...(14) HG3 PRO 118 - HE22 GLN 133 OK 38 94 - 41 - 2.3/7703=9, 7696/1.7=6...(11) HG LEU 29 - HE22 GLN 133 OK 14 72 - 19 - ~9610=11, 7697/1.7=2...(6) HG2 GLU 81 - HE22 GLN 133 lone 8 99 - 8 - 8781/11404=5 HG2 GLN 111 - HE22 GLN 133 lone 3 62 - 5 - 1.8/9603=2 Peak 7706 from nnoeabs.peaks (2.42, 7.79, 114.47 ppm; 2.63 A): 5 out of 8 assignments used, quality = 0.95: * HG2 GLN 133 + HE22 GLN 133 OK 71 100 - 71 - 3.5=41, 1.8/4565=12...(13) HG3 GLN 133 + HE22 GLN 133 OK 71 100 - 71 - 3.5=41, 1.8/4565=12...(13) HB3 PRO 118 + HE22 GLN 133 OK 17 100 - 17 - 3.0/7703=3, 7699/1.7=3...(9) HG3 GLN 47 + HE22 GLN 133 OK 14 99 - 14 - 4556=3, 1.8/4556=2...(7) HG2 GLN 47 + HE22 GLN 133 OK 14 99 - 14 - 4556=3, 1.8/4556=2...(7) HG2 MET 68 - HE22 GLN 133 lone 4 89 - 5 - 3.7/7703=1 QE MET 46 - HE22 GLN 133 lone 2 99 - 2 - HB3 PRO 33 - HE22 GLN 133 lone 1 72 - 1 - Peak 7707 from nnoeabs.peaks (2.42, 7.79, 114.47 ppm; 2.63 A): 5 out of 8 assignments used, quality = 0.95: * HG3 GLN 133 + HE22 GLN 133 OK 71 100 - 71 - 3.5=41, 1.8/4565=12...(13) HG2 GLN 133 + HE22 GLN 133 OK 71 100 - 71 - 3.5=41, 1.8/4565=12...(13) HB3 PRO 118 + HE22 GLN 133 OK 17 100 - 17 - 3.0/7703=3, 7699/1.7=3...(9) HG3 GLN 47 + HE22 GLN 133 OK 14 98 - 14 - 4556=3, 1.8/4556=2...(7) HG2 GLN 47 + HE22 GLN 133 OK 14 98 - 14 - 4556=3, 1.8/4556=2...(7) HG2 MET 68 - HE22 GLN 133 lone 4 85 - 5 - 3.7/7703=1 QE MET 46 - HE22 GLN 133 lone 2 100 - 2 - HB3 PRO 33 - HE22 GLN 133 lone 0 68 - 1 - Peak 7708 from nnoeabs.peaks (6.81, 7.79, 114.47 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 133 + HE22 GLN 133 OK 100 100 - 100 - 1.7=100 QD PHE 67 - HE22 GLN 133 lone 2 72 - 3 - HD21 ASN 96 - HE22 GLN 133 lone 1 99 - 1 - Peak 7709 from nnoeabs.peaks (7.69, 7.69, 119.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 134 + H ALA 134 OK 100 100 - 100 Peak 7710 from nnoeabs.peaks (4.57, 7.69, 119.76 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.74: * HA ASN 130 + H ALA 134 OK 70 100 - 71 - 7674/3.2=32...(9) HA MET 59 + H ALA 134 OK 13 81 - 16 - 7674/3.2=5, 7658/7672=4...(5) Peak 7711 from nnoeabs.peaks (4.14, 7.69, 119.76 ppm; 3.47 A): 3 out of 4 assignments used, quality = 0.82: * HA GLU 131 + H ALA 134 OK 76 100 - 76 - 4438=30, 3.6/7672=24...(9) HA LYS 76 + H ALA 134 OK 17 89 - 19 - 4574/2.9=6, 7727/3.5=3...(7) HA LEU 126 + H ALA 134 OK 11 96 - 11 - 4574/2.9=3, 7727/3.5=3...(4) HA3 GLY 125 - H ALA 134 lone 6 81 - 7 - 7727/3.5=2, 3.0/7725=2 Peak 7712 from nnoeabs.peaks (7.73, 7.69, 119.76 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.54: * H LEU 132 + H ALA 134 OK 54 100 - 54 - 7672=36, 7671/3.2=10...(9) H SER 100 - H ALA 134 lone 6 100 - 6 - 7677/3.2=3, 7179/3.6=1 H GLN 62 - H ALA 134 lone 4 100 - 4 - 7677/3.2=2 HD21 ASN 128 - H ALA 134 lone 2 92 - 3 - 4437/4438=1, 7677/3.2=1 Peak 7713 from nnoeabs.peaks (4.08, 7.69, 119.76 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.96: * HA LEU 132 + H ALA 134 OK 87 100 - 87 - 2.8/7672=41, 3.6/7714=37...(15) HD3 PRO 118 + H ALA 134 OK 65 77 - 84 - ~9649=14, 1.8/7715=13...(33) HA VAL 53 - H ALA 134 OK 23 100 - 24 - 7678/3.2=5, ~9622=4...(8) HA LEU 26 - H ALA 134 OK 22 96 - 23 - 3.6/6100=4, 7678/3.2=3...(11) HA LYS 34 - H ALA 134 OK 18 100 - 18 - 7678/3.2=3, 7728/3.5=3...(6) HA GLU 90 - H ALA 134 OK 15 100 - 15 - 7728/3.5=3, 7678/3.2=3...(4) Peak 7714 from nnoeabs.peaks (8.04, 7.69, 119.76 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.94: * H GLN 133 + H ALA 134 OK 94 100 - 94 - 3.2=79, 9660/2.9=17...(25) H ILE 58 - H ALA 134 lone 7 89 - 8 - 7671/7672=3, 4518/3.6=2 H ARG 144 - H ALA 134 lone 2 72 - 2 - Peak 7715 from nnoeabs.peaks (3.83, 7.69, 119.76 ppm; 3.52 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 133 + H ALA 134 OK 99 100 - 99 - 3.6=96, 2.8/7714=31...(26) HD2 PRO 118 + H ALA 134 OK 62 99 - 63 - ~9649=8, 2.3/7716=7...(27) HA ALA 104 - H ALA 134 OK 30 94 - 32 - 2.1/10192=6, 3.6/7230=5...(9) HB2 SER 100 - H ALA 134 OK 15 100 - 15 - 7684/3.2=2, 4.1/7712=2...(5) HA MET 68 - H ALA 134 OK 12 89 - 14 - 7684/3.2=2, 11045/2.9=2...(4) HA LEU 66 - H ALA 134 lone 9 89 - 10 - 7684/3.2=2, 7730/3.5=1 HB2 SER 127 - H ALA 134 lone 7 85 - 9 - 7730/3.5=1, 7684/3.2=1 HA3 GLY 50 - H ALA 134 lone 2 77 - 2 - Peak 7716 from nnoeabs.peaks (2.14, 7.69, 119.76 ppm; 2.94 A): 3 out of 6 assignments used, quality = 0.97: HB3 GLN 133 + H ALA 134 OK 78 100 - 78 - 4.5=27, 4.0/7714=14...(34) * HB2 GLN 133 + H ALA 134 OK 78 100 - 78 - 4.5=27, 4.0/7714=14...(34) HG3 PRO 118 + H ALA 134 OK 45 96 - 47 - 2.3/7715=6, 2.3/7719=5...(23) HG LEU 29 - H ALA 134 OK 24 68 - 36 - 2.1/10834=5, 3.0/7723=5...(18) HG2 GLU 81 - H ALA 134 lone 4 100 - 4 - HG2 GLN 111 - H ALA 134 lone 1 68 - 2 - Peak 7717 from nnoeabs.peaks (2.14, 7.69, 119.76 ppm; 2.94 A): 3 out of 6 assignments used, quality = 0.97: * HB3 GLN 133 + H ALA 134 OK 78 100 - 78 - 4.5=27, 4.0/7714=14...(34) HB2 GLN 133 + H ALA 134 OK 78 100 - 78 - 4.5=27, 4.0/7714=14...(34) HG3 PRO 118 + H ALA 134 OK 43 94 - 46 - 2.3/7715=6, 2.3/7719=5...(23) HG LEU 29 - H ALA 134 OK 26 72 - 37 - 2.1/10834=5, 3.0/7723=5...(18) HG2 GLU 81 - H ALA 134 lone 4 99 - 4 - HG2 GLN 111 - H ALA 134 lone 1 62 - 2 - Peak 7718 from nnoeabs.peaks (2.42, 7.69, 119.76 ppm; 3.45 A): 3 out of 8 assignments used, quality = 0.98: HG3 GLN 133 + H ALA 134 OK 80 100 - 80 - 4.5/7714=17, 4566=15...(28) * HG2 GLN 133 + H ALA 134 OK 80 100 - 80 - 4.5/7714=17, 4566=15...(28) HB3 PRO 118 + H ALA 134 OK 64 100 - 64 - 2.3/7716=7, ~9649=7...(29) HG3 GLN 47 - H ALA 134 OK 29 99 - 29 - 4557=5, 1.8/4557=4...(14) HG2 GLN 47 - H ALA 134 OK 29 99 - 29 - 4557=5, 1.8/4557=4...(14) HG2 MET 68 - H ALA 134 poor 9 89 - 11 - 9640/2.9=1, 4522/3.6=1 QE MET 46 - H ALA 134 lone 8 99 - 8 - 10493/10834=1 HB3 PRO 33 - H ALA 134 lone 7 72 - 10 - ~9792=3, 9640/2.9=2, ~10322=2 Peak 7719 from nnoeabs.peaks (2.42, 7.69, 119.76 ppm; 3.45 A): 3 out of 8 assignments used, quality = 0.98: * HG3 GLN 133 + H ALA 134 OK 80 100 - 80 - 4.5/7714=17, 4566=15...(28) HG2 GLN 133 + H ALA 134 OK 80 100 - 80 - 4.5/7714=17, 4566=15...(28) HB3 PRO 118 + H ALA 134 OK 64 100 - 64 - 2.3/7716=7, ~9649=7...(29) HG3 GLN 47 - H ALA 134 OK 28 98 - 29 - 4557=5, 1.8/4557=4...(14) HG2 GLN 47 - H ALA 134 OK 28 98 - 29 - 4557=5, 1.8/4557=4...(14) HG2 MET 68 - H ALA 134 poor 9 85 - 10 - 9640/2.9=1, 4522/3.6=1 QE MET 46 - H ALA 134 lone 8 100 - 8 - 10493/10834=1 HB3 PRO 33 - H ALA 134 lone 6 68 - 9 - ~9792=3, ~10322=2, 9640/2.9=1 Peak 7722 from nnoeabs.peaks (4.21, 7.69, 119.76 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 134 + H ALA 134 OK 100 100 - 100 - 2.8=100 HA ILE 101 - H ALA 134 OK 26 100 - 27 - 4576/2.9=4, 3.8/7723=3...(11) HA PHE 43 - H ALA 134 OK 12 77 - 16 - ~11632=4, 4576/2.9=2...(6) HA THR 102 - H ALA 134 lone 5 98 - 5 - HA LYS 93 - H ALA 134 lone 5 92 - 5 - 4576/2.9=1 HA PHE 45 - H ALA 134 lone 3 92 - 3 - HA LYS 85 - H ALA 134 lone 2 68 - 3 - Peak 7723 from nnoeabs.peaks (1.48, 7.69, 119.76 ppm; 2.50 A): 3 out of 5 assignments used, quality = 0.90: * QB ALA 134 + H ALA 134 OK 82 100 - 82 - 2.9=65, 4578/3.5=11...(15) HB3 LEU 29 + H ALA 134 OK 26 92 - 29 - 3.2/10834=3, 7733/3.5=3...(11) HG13 ILE 101 + H ALA 134 OK 24 81 - 29 - 4569/2.8=4, 2.1/10543=2...(14) HD3 LYS 114 - H ALA 134 lone 7 72 - 9 - 4569/2.8=1 HG3 LYS 86 - H ALA 134 lone 3 81 - 3 - Peak 7724 from nnoeabs.peaks (7.85, 7.69, 119.76 ppm; 2.91 A): 2 out of 4 assignments used, quality = 0.91: * H ALA 135 + H ALA 134 OK 88 100 - 88 - 3.5=58, 4578/2.9=19...(22) H TYR 119 + H ALA 134 OK 30 100 - 30 - 7692/3.2=5, 4578/2.9=5...(10) H ARG 55 - H ALA 134 lone 2 77 - 2 - H TRP 17 - H ALA 134 lone 1 68 - 1 - Peak 7725 from nnoeabs.peaks (8.22, 7.69, 119.76 ppm; 3.99 A): 3 out of 5 assignments used, quality = 0.94: * H ILE 136 + H ALA 134 OK 91 100 - 91 - 7741=28, 3.1/7724=28...(21) H ARG 124 + H ALA 134 OK 20 99 - 20 - 4527/3.6=6, 7736/3.5=5...(7) H THR 74 + H ALA 134 OK 15 98 - 16 - 7736/3.5=4, 4527/3.6=4...(7) H GLY 125 - H ALA 134 poor 9 77 - 12 - 3.0/7711=2, 7736/3.5=2...(4) H MET 11 - H ALA 134 lone 3 89 - 3 - Peak 7726 from nnoeabs.peaks (7.85, 7.85, 122.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 135 + H ALA 135 OK 100 100 - 100 Peak 7727 from nnoeabs.peaks (4.14, 7.85, 122.13 ppm; 4.48 A): 4 out of 4 assignments used, quality = 0.88: * HA GLU 131 + H ALA 135 OK 74 100 - 74 - 10391=33, 4574/3.7=28...(8) HA LYS 76 + H ALA 135 OK 29 89 - 33 - 4574/3.7=7, 7711/3.5=6...(12) HA LEU 126 + H ALA 135 OK 27 96 - 28 - ~10680=5, 3.9/9630=4...(9) HA3 GLY 125 + H ALA 135 OK 14 81 - 16 - ~7559=3, 3.0/7736=2...(9) Peak 7728 from nnoeabs.peaks (4.08, 7.85, 122.13 ppm; 3.94 A): 6 out of 6 assignments used, quality = 0.94: * HA LEU 132 + H ALA 135 OK 81 100 - 81 - 4476=31, 3.6/7729=19...(17) HD3 PRO 118 + H ALA 135 OK 42 77 - 54 - 2.3/11551=7, 1.8/7730=6...(20) HA GLU 90 + H ALA 135 OK 17 100 - 17 - 4586/2.9=6, 5.0/9656=3...(4) HA LYS 34 + H ALA 135 OK 15 100 - 15 - 4586/2.9=4, ~10452=3...(4) HA LEU 26 + H ALA 135 OK 12 96 - 13 - 4586/2.9=3, 7713/3.5=2...(4) HA VAL 53 + H ALA 135 OK 11 100 - 11 - 4586/2.9=3, 7713/3.5=2...(4) Peak 7729 from nnoeabs.peaks (8.04, 7.85, 122.13 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.97: * H GLN 133 + H ALA 135 OK 97 100 - 97 - 7714/3.5=36, 9660/3.7=30...(25) H ILE 58 - H ALA 135 OK 14 89 - 16 - 10451/2.9=6, 7714/3.5=3...(6) H ARG 144 - H ALA 135 lone 3 72 - 4 - Peak 7730 from nnoeabs.peaks (3.83, 7.85, 122.13 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.99: * HA GLN 133 + H ALA 135 OK 96 100 - 96 - 3.6/7724=31, 2.8/7729=31...(30) HD2 PRO 118 + H ALA 135 OK 75 99 - 76 - 2.3/11551=12...(24) HA ALA 104 - H ALA 135 OK 41 94 - 43 - ~9626=12, ~10192=8...(9) HB2 SER 100 - H ALA 135 OK 27 100 - 27 - 9653/2.9=5, 7740/3.1=3...(12) HB2 SER 127 - H ALA 135 OK 26 85 - 30 - 9653/2.9=5, ~10353=4...(11) HA MET 68 - H ALA 135 OK 22 89 - 25 - 7740/3.1=5, 11633/3.7=3...(11) HA LEU 66 - H ALA 135 OK 21 89 - 24 - 9653/2.9=5, 11154/9631=5...(9) HA3 GLY 50 - H ALA 135 lone 7 77 - 9 - 1.8/7734=1, 9653/2.9=1 Peak 7731 from nnoeabs.peaks (7.69, 7.85, 122.13 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.94: * H ALA 134 + H ALA 135 OK 94 100 - 94 - 3.5=75, 2.9/4578=23...(22) H PHE 106 - H ALA 135 OK 19 99 - 19 - 7741/3.1=4, 9657/2.9=4...(6) H GLU 28 - H ALA 135 OK 11 98 - 11 - 9657/2.9=3, 4575/3.7=2...(5) Peak 7732 from nnoeabs.peaks (4.21, 7.85, 122.13 ppm; 3.61 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 134 + H ALA 135 OK 100 100 - 100 - 3.6=100 HA ILE 101 - H ALA 135 OK 32 100 - 33 - 7722/3.5=5, 7742/3.1=5...(14) HA LYS 93 - H ALA 135 OK 10 92 - 11 - 7742/3.1=2, 4576/3.7=1...(4) HA THR 102 - H ALA 135 lone 8 98 - 8 - 7742/3.1=1, ~9626=1 HA PHE 43 - H ALA 135 lone 7 77 - 9 - 7722/3.5=2, 4576/3.7=2...(4) HA LYS 85 - H ALA 135 lone 5 68 - 7 - ~6962=1 HA PHE 45 - H ALA 135 lone 3 92 - 4 - Peak 7733 from nnoeabs.peaks (1.48, 7.85, 122.13 ppm; 2.67 A): 3 out of 5 assignments used, quality = 0.78: * QB ALA 134 + H ALA 135 OK 66 100 - 66 - 3.7=37, 2.9/7724=15...(10) HB3 LEU 29 + H ALA 135 OK 22 92 - 24 - 1.8/7735=4, 7723/3.5=3...(9) HG13 ILE 101 + H ALA 135 OK 16 81 - 20 - 4569/3.6=3, 7723/3.5=3...(9) HD3 LYS 114 - H ALA 135 lone 3 72 - 5 - 4569/3.6=1 HG3 LYS 86 - H ALA 135 lone 2 81 - 2 - Peak 7734 from nnoeabs.peaks (4.26, 7.85, 122.13 ppm; 3.18 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 135 + H ALA 135 OK 100 100 - 100 - 2.8=100 HA SER 138 - H ALA 135 OK 44 100 - 44 - 4588/2.9=7, ~4583=6...(13) HA LEU 95 - H ALA 135 lone 8 85 - 10 - 3.9/9630=2, 4588/2.9=2 HB THR 99 - H ALA 135 lone 8 99 - 8 - ~9626=2, 4588/2.9=2 HA ARG 140 - H ALA 135 lone 5 62 - 8 - 7744/3.1=2 HA ARG 49 - H ALA 135 lone 5 81 - 6 - ~10464=1, 4588/2.9=1 HA2 GLY 50 - H ALA 135 lone 4 100 - 4 - HA GLU 142 - H ALA 135 lone 1 72 - 1 - Peak 7735 from nnoeabs.peaks (1.52, 7.85, 122.13 ppm; 2.62 A): 5 out of 9 assignments used, quality = 0.93: * QB ALA 135 + H ALA 135 OK 86 100 - 86 - 2.9=76, 3.7/7743=11...(12) HB2 LEU 29 + H ALA 135 OK 22 100 - 22 - 1.8/7733=6, 350/3.7=2...(9) HG3 LYS 76 + H ALA 135 OK 15 99 - 15 - ~10464=2, 7745/3.1=2...(4) HD2 LYS 76 + H ALA 135 OK 14 92 - 16 - ~10464=3, 7745/3.1=2...(5) HB2 LYS 123 + H ALA 135 OK 11 94 - 12 - 4.2/7736=2, 4116/3.1=1...(4) HG2 LYS 93 - H ALA 135 lone 7 99 - 7 - 7745/3.1=1 HG3 PRO 57 - H ALA 135 lone 7 98 - 7 - 7745/3.1=2, 8268/9631=1 HG3 LYS 85 - H ALA 135 lone 5 100 - 5 - HB2 GLU 122 - H ALA 135 lone 5 68 - 7 - Peak 7736 from nnoeabs.peaks (8.22, 7.85, 122.13 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 136 + H ALA 135 OK 100 100 - 100 - 3.1=100 H ARG 124 - H ALA 135 OK 25 99 - 25 - 7557/3.1=7, 4590/2.9=6...(7) H THR 74 - H ALA 135 OK 21 98 - 21 - 4590/2.9=3, 4582/2.8=2...(9) H GLY 125 - H ALA 135 poor 9 77 - 12 - 7559/3.1=3, 4590/2.9=2...(5) H MET 11 - H ALA 135 lone 2 89 - 3 - Peak 7737 from nnoeabs.peaks (8.45, 7.85, 122.13 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.96: * H ASP 137 + H ALA 135 OK 96 100 - 96 - 7757=40, 7752/3.1=34...(20) H GLY 15 - H ALA 135 OK 20 89 - 22 - 7752/3.1=8, 10450/2.9=5...(5) Peak 7738 from nnoeabs.peaks (8.22, 8.22, 118.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 136 + H ILE 136 OK 100 100 - 100 Peak 7739 from nnoeabs.peaks (4.08, 8.22, 118.96 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.98: * HA LEU 132 + H ILE 136 OK 89 100 - 89 - 4476/3.1=31, 4.9/4527=25...(16) HD3 PRO 118 + H ILE 136 OK 57 77 - 74 - ~11551=17, 9667/4.8=15...(17) HA GLU 90 + H ILE 136 OK 50 100 - 50 - 8958/4.0=13, 8957/4.8=11...(9) HA LEU 26 - H ILE 136 OK 21 96 - 22 - 4586/3.7=5, 7728/3.1=3...(7) HA VAL 53 - H ILE 136 OK 20 100 - 21 - 4586/3.7=4, 7728/3.1=3...(7) HA LYS 34 - H ILE 136 OK 19 100 - 19 - 4586/3.7=6, 7728/3.1=4...(5) Peak 7740 from nnoeabs.peaks (3.83, 8.22, 118.96 ppm; 3.73 A): 4 out of 8 assignments used, quality = 0.94: * HA GLN 133 + H ILE 136 OK 82 100 - 83 - 4527=23, 9601/3.4=21...(21) HD2 PRO 118 + H ILE 136 OK 38 99 - 38 - ~11551=5, 7730/3.1=5...(14) HA MET 68 + H ILE 136 OK 28 89 - 32 - 8436/4.0=8, 8437/4.8=4...(10) HA ALA 104 + H ILE 136 OK 27 94 - 29 - 10328/4.0=4, 7755/3.4=4...(9) HA LEU 66 - H ILE 136 OK 22 89 - 24 - 10328/4.0=4, 4602/3.9=3...(9) HB2 SER 100 - H ILE 136 OK 21 100 - 21 - ~10473=4, 9653/3.7=3...(9) HB2 SER 127 - H ILE 136 OK 18 85 - 21 - 9520/4.0=3, 9653/3.7=3...(8) HA3 GLY 50 - H ILE 136 lone 4 77 - 4 - Peak 7741 from nnoeabs.peaks (7.69, 8.22, 118.96 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.96: * H ALA 134 + H ILE 136 OK 94 100 - 94 - 7725=33, 3.5/7743=30...(21) H PHE 106 + H ILE 136 OK 34 99 - 34 - 3.5/7753=8, 7731/3.1=6...(9) H GLU 28 - H ILE 136 OK 10 98 - 10 - 9657/3.7=4, 7731/3.1=3 Peak 7742 from nnoeabs.peaks (4.21, 8.22, 118.96 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.96: * HA ALA 134 + H ILE 136 OK 92 100 - 92 - 3.6/7743=35, 4571/3.4=35...(13) HA ILE 101 + H ILE 136 OK 56 100 - 56 - 7756/3.4=10, 3.2/7748=9...(17) HA LYS 93 - H ILE 136 OK 22 92 - 24 - ~7082=5, 4.0/7745=3...(8) HA PHE 43 - H ILE 136 OK 19 77 - 24 - 7756/3.4=5, ~7768=4...(8) HA THR 102 - H ILE 136 OK 16 98 - 17 - 7756/3.4=4, 9189/4.0=3...(6) HA PHE 45 - H ILE 136 poor 10 92 - 11 - 4.9/10460=3, 7756/3.4=2 HA LYS 85 - H ILE 136 lone 5 68 - 8 - 4.0/7745=2, 7732/3.1=1 Peak 7743 from nnoeabs.peaks (7.85, 8.22, 118.96 ppm; 3.12 A): 1 out of 4 assignments used, quality = 0.99: * H ALA 135 + H ILE 136 OK 99 100 - 99 - 3.1=99 H TYR 119 - H ILE 136 OK 17 100 - 17 - 4587/3.7=3, 4579/3.6=3...(8) H ARG 55 - H ILE 136 lone 1 77 - 2 - H TRP 17 - H ILE 136 lone 1 68 - 2 - Peak 7744 from nnoeabs.peaks (4.26, 8.22, 118.96 ppm; 3.88 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 135 + H ILE 136 OK 100 100 - 100 - 3.6=100 HA SER 138 + H ILE 136 OK 65 100 - 66 - 2.9/7774=26...(10) HA ARG 140 - H ILE 136 OK 19 62 - 30 - 10329/4.0=8, ~7813=5...(10) HA LEU 95 - H ILE 136 OK 11 85 - 13 - 4588/3.7=2, 7734/3.1=2...(4) HB THR 99 - H ILE 136 OK 10 99 - 10 - 10122/4.0=2, 4588/3.7=2...(5) HA ARG 49 - H ILE 136 poor 9 81 - 10 - 3.0/10464=5, 4588/3.7=1 HA2 GLY 50 - H ILE 136 lone 5 100 - 5 - HA GLU 142 - H ILE 136 lone 1 72 - 2 - Peak 7745 from nnoeabs.peaks (1.52, 8.22, 118.96 ppm; 3.02 A): 4 out of 9 assignments used, quality = 0.90: * QB ALA 135 + H ILE 136 OK 81 100 - 81 - 3.7=53, 4587/3.1=20...(16) HG3 LYS 76 + H ILE 136 OK 21 99 - 21 - 3.0/10464=6, 7735/3.1=2...(8) HD2 LYS 76 + H ILE 136 OK 21 92 - 23 - 1.8/10464=7, 7735/3.1=2...(9) HG3 PRO 57 + H ILE 136 OK 20 98 - 20 - 9693/2.9=3, 2.3/7750=3...(9) HB2 LYS 123 - H ILE 136 OK 18 94 - 19 - 4.2/7557=3, 3.0/4104=3...(10) HG2 LYS 93 - H ILE 136 OK 17 99 - 17 - 10339/4.5=2, 9693/2.9=2...(7) HB2 LEU 29 - H ILE 136 OK 15 100 - 15 - 7735/3.1=3, ~7733=2...(4) HG3 LYS 85 - H ILE 136 OK 10 100 - 10 - ~9692=3, 9693/2.9=1, ~9692=1 HB2 GLU 122 - H ILE 136 lone 5 68 - 8 - 4.7/7538=2 Peak 7746 from nnoeabs.peaks (3.71, 8.22, 118.96 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 136 + H ILE 136 OK 100 100 - 100 - 2.9=100 HA ILE 91 - H ILE 136 OK 34 96 - 36 - 9654/3.7=9, 4612/4.0=4...(14) HA THR 107 - H ILE 136 OK 33 99 - 33 - 3.0/7753=5, 7760/3.4=4...(15) HB THR 74 - H ILE 136 OK 28 92 - 30 - 2191=5, 3.0/2185=4...(16) HA LEU 108 - H ILE 136 poor 9 68 - 14 - 3.8/7751=1, 4612/4.0=1...(6) Peak 7747 from nnoeabs.peaks (1.91, 8.22, 118.96 ppm; 3.03 A): 2 out of 16 assignments used, quality = 0.93: * HB ILE 136 + H ILE 136 OK 91 100 - 91 - 3.9=46, 2.9/7749=14...(35) HB ILE 101 + H ILE 136 OK 29 81 - 36 - 2.1/7748=6, 3.2/7748=4...(15) HG13 ILE 83 - H ILE 136 OK 27 100 - 27 - ~9692=5, ~11041=4...(10) HB3 LEU 132 - H ILE 136 OK 27 77 - 35 - 3.2/10413=6, ~4476=4...(15) HB2 PRO 118 - H ILE 136 OK 23 89 - 25 - 3.0/7740=3, ~11551=3...(12) QE MET 68 - H ILE 136 OK 19 98 - 20 - 8424/4.8=3, 1993/4.5=2...(8) HB2 ARG 140 - H ILE 136 OK 10 62 - 17 - 2.9/7750=2, 7761/3.4=2...(7) HB3 LEU 69 - H ILE 136 OK 10 94 - 11 - ~9928=1, 10918/9680=1 HB3 ARG 89 - H ILE 136 poor 9 77 - 12 - 7761/3.4=1, 4593/2.9=1 HB2 MET 59 - H ILE 136 lone 6 94 - 7 - 4.8/10464=2 HB2 LYS 86 - H ILE 136 lone 6 99 - 6 - 9644/3.7=1 HG3 PRO 12 - H ILE 136 lone 5 81 - 6 - 9644/3.7=1 HG2 PRO 12 - H ILE 136 lone 4 68 - 5 - HB3 GLN 111 - H ILE 136 lone 3 68 - 5 - HB2 LYS 24 - H ILE 136 lone 2 77 - 3 - HB2 GLN 62 - H ILE 136 lone 1 68 - 2 - Peak 7748 from nnoeabs.peaks (0.88, 8.22, 118.96 ppm; 3.10 A): 2 out of 6 assignments used, quality = 0.96: * QG2 ILE 136 + H ILE 136 OK 93 100 - 93 - 4.0=46, 2.3/7749=17...(34) QG2 ILE 101 + H ILE 136 OK 42 100 - 42 - 4594/2.9=5, 7762/3.4=5...(18) QD1 ILE 101 - H ILE 136 OK 40 100 - 41 - 4594/2.9=5, 7762/3.4=5...(18) QG2 VAL 80 - H ILE 136 OK 19 81 - 23 - 9956/3.1=6, 8753/3.7=5...(9) QD1 LEU 97 - H ILE 136 OK 17 100 - 17 - 4594/2.9=3, 10444/3.7=2...(8) HB3 LEU 42 - H ILE 136 lone 3 68 - 4 - Peak 7749 from nnoeabs.peaks (0.99, 8.22, 118.96 ppm; 3.32 A): 2 out of 3 assignments used, quality = 0.96: * HG12 ILE 136 + H ILE 136 OK 94 100 - 94 - 4.5=41, 4595/2.9=17...(31) QD1 LEU 116 + H ILE 136 OK 39 100 - 39 - 4595/2.9=8, 10227/4.8=7...(7) HB2 LEU 39 - H ILE 136 OK 18 85 - 21 - 4595/2.9=4, 4607/3.9=4...(8) Peak 7750 from nnoeabs.peaks (1.65, 8.22, 118.96 ppm; 3.15 A): 2 out of 12 assignments used, quality = 0.94: * HG13 ILE 136 + H ILE 136 OK 92 100 - 92 - 4.5=34, 1.8/7749=20...(30) HG2 ARG 140 + H ILE 136 OK 25 100 - 25 - 11574/4.0=5, 4596/2.9=4...(7) HG2 ARG 124 - H ILE 136 OK 23 89 - 26 - 3.0/4249=3, 1.8/4231=2...(14) HB2 PRO 57 - H ILE 136 OK 23 99 - 23 - 8263/4.0=5, 2.3/7745=3...(10) HD3 LYS 93 - H ILE 136 OK 20 100 - 20 - 4627=3, 4634/3.4=2...(8) HB2 MET 68 - H ILE 136 OK 17 92 - 19 - 1965/3.9=3, 3.0/7740=2...(9) HB VAL 71 - H ILE 136 OK 16 77 - 21 - 3.0/2083=4, ~9681=3...(10) HG2 ARG 89 - H ILE 136 poor 10 77 - 12 - 7764/3.4=2, 4596/2.9=2...(5) HB2 LEU 95 - H ILE 136 lone 6 77 - 8 - ~9630=1 HB2 LYS 114 - H ILE 136 lone 6 100 - 6 - HB2 ARG 145 - H ILE 136 lone 3 62 - 5 - ~10390=2 HD2 LYS 48 - H ILE 136 lone 3 77 - 4 - Peak 7751 from nnoeabs.peaks (0.76, 8.22, 118.96 ppm; 3.35 A): 2 out of 5 assignments used, quality = 0.96: * QD1 ILE 136 + H ILE 136 OK 93 100 - 93 - 4.8=33, 2.1/7749=20...(35) QD2 LEU 72 + H ILE 136 OK 38 98 - 39 - 4597/2.9=5, 4617/4.0=4...(14) QG2 VAL 73 - H ILE 136 OK 38 100 - 38 - 2184=6, 2.1/2178=5...(11) QD1 LEU 72 - H ILE 136 OK 37 100 - 37 - 4597/2.9=5, 4609/3.9=4...(13) QD1 LEU 108 - H ILE 136 OK 15 85 - 17 - 4597/2.9=2, 4617/4.0=2...(5) Peak 7752 from nnoeabs.peaks (8.45, 8.22, 118.96 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.96: * H ASP 137 + H ILE 136 OK 96 100 - 96 - 3.4=81, 3.2/7774=16...(21) H GLY 15 - H ILE 136 OK 24 89 - 26 - 4598/2.9=5, 4610/3.9=4...(8) Peak 7753 from nnoeabs.peaks (8.14, 8.22, 118.96 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.95: * H SER 138 + H ILE 136 OK 92 100 - 92 - 7774=37, 7776/3.4=36...(16) H THR 107 + H ILE 136 OK 45 94 - 47 - 7769/3.4=9, 7257/2.9=7...(15) H HIS 14 - H ILE 136 OK 11 98 - 11 - 4.7/7752=6, 7769/3.4=3 Peak 7754 from nnoeabs.peaks (8.45, 8.45, 121.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 137 + H ASP 137 OK 100 100 - 100 Peak 7755 from nnoeabs.peaks (3.83, 8.45, 121.14 ppm; 4.00 A): 4 out of 8 assignments used, quality = 0.93: * HA GLN 133 + H ASP 137 OK 80 100 - 80 - 9601=36, 4.9/4571=17...(15) HA ALA 104 + H ASP 137 OK 35 94 - 37 - ~9205=6, ~10191=5...(13) HA MET 68 + H ASP 137 OK 29 89 - 33 - 8436/4.3=8, 3.7/10471=4...(9) HD2 PRO 118 + H ASP 137 OK 28 99 - 28 - 7740/3.4=5, 4602/4.6=4...(13) HB2 SER 100 - H ASP 137 OK 19 100 - 19 - 4.1/10478=4, 7740/3.4=3...(5) HB2 SER 127 - H ASP 137 OK 17 85 - 20 - 9520/4.3=3, ~10353=3...(6) HA LEU 66 - H ASP 137 OK 16 89 - 18 - 10328/4.3=4, 4602/4.6=3...(6) HA3 GLY 50 - H ASP 137 lone 3 77 - 4 - Peak 7756 from nnoeabs.peaks (4.21, 8.45, 121.14 ppm; 3.72 A): 3 out of 7 assignments used, quality = 0.95: * HA ALA 134 + H ASP 137 OK 85 100 - 85 - 4571=44, 4572/3.8=17...(11) HA ILE 101 + H ASP 137 OK 54 100 - 55 - 3.8/9694=9, 3.8/10174=8...(19) HA PHE 43 + H ASP 137 OK 30 77 - 39 - 3.0/7768=7, 3.0/7767=7...(14) HA THR 102 - H ASP 137 OK 20 98 - 20 - 10186/2.9=5, 7772/3.2=2...(7) HA LYS 93 - H ASP 137 OK 14 92 - 15 - 7772/3.2=3, 4.9/4634=2...(5) HA PHE 45 - H ASP 137 OK 10 92 - 11 - 4.9/7766=2, ~6357=1...(5) HA LYS 85 - H ASP 137 lone 2 68 - 3 - Peak 7757 from nnoeabs.peaks (7.85, 8.45, 121.14 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.94: * H ALA 135 + H ASP 137 OK 94 100 - 94 - 7737=35, 3.1/7752=32...(20) H TYR 119 - H ASP 137 OK 20 100 - 21 - 7743/3.4=5, 7467/9601=4...(7) H TRP 17 - H ASP 137 lone 3 68 - 4 - H ARG 55 - H ASP 137 lone 2 77 - 2 - Peak 7758 from nnoeabs.peaks (4.26, 8.45, 121.14 ppm; 3.70 A): 2 out of 8 assignments used, quality = 0.96: HA SER 138 + H ASP 137 OK 83 100 - 84 - 2.9/7776=32, 10480=22...(18) * HA ALA 135 + H ASP 137 OK 74 100 - 74 - 3.6/7752=22, 2.8/7757=19...(11) HA ARG 140 - H ASP 137 OK 35 62 - 57 - ~7815=7, 10329/4.3=7...(20) HB THR 99 - H ASP 137 OK 10 99 - 10 - 4.4/10478=3, 10122/4.3=2 HA LEU 95 - H ASP 137 poor 9 85 - 11 - 7780/3.2=2, 7744/3.4=1 HA ARG 49 - H ASP 137 lone 6 81 - 8 - ~10464=2, ~9698=1 HA2 GLY 50 - H ASP 137 lone 4 100 - 3 - HA GLU 142 - H ASP 137 lone 1 72 - 2 - Peak 7759 from nnoeabs.peaks (8.22, 8.45, 121.14 ppm; 3.09 A): 1 out of 5 assignments used, quality = 0.94: * H ILE 136 + H ASP 137 OK 94 100 - 94 - 3.4=77, 7774/3.2=16...(21) H ARG 124 - H ASP 137 OK 26 99 - 26 - 7557/3.4=6, 4591/3.6=4...(9) H THR 74 - H ASP 137 OK 23 98 - 23 - 4591/3.6=4, 4611/4.3=3...(8) H GLY 125 - H ASP 137 lone 7 77 - 9 - 7559/3.4=2, 4591/3.6=1 H MET 11 - H ASP 137 lone 4 89 - 4 - Peak 7760 from nnoeabs.peaks (3.71, 8.45, 121.14 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 136 + H ASP 137 OK 100 100 - 100 - 3.6=100 HA THR 107 - H ASP 137 OK 37 99 - 37 - 3.0/7769=7, 3446/3.2=6...(13) HA ILE 91 - H ASP 137 OK 26 96 - 27 - 7746/3.4=5, 4612/4.3=4...(10) HB THR 74 - H ASP 137 OK 19 92 - 21 - 2191/3.4=4, 4.0/7759=3...(8) HA LEU 108 - H ASP 137 poor 7 68 - 11 - ~7267=2, 4612/4.3=1...(5) Peak 7761 from nnoeabs.peaks (1.91, 8.45, 121.14 ppm; 3.14 A): 3 out of 16 assignments used, quality = 0.95: * HB ILE 136 + H ASP 137 OK 88 100 - 88 - 4.6=32, 2.1/4618=22...(31) HB ILE 101 + H ASP 137 OK 37 81 - 46 - 3.0/9694=8, 2.1/7762=7...(18) HB2 ARG 140 + H ASP 137 OK 31 62 - 50 - ~4722=5, ~4722=5...(22) HG13 ILE 83 - H ASP 137 OK 21 100 - 22 - ~9705=4, 4649/2.9=3...(8) HB3 ARG 89 - H ASP 137 OK 20 77 - 26 - ~10372=6, ~4649=2...(10) QE MET 68 - H ASP 137 OK 17 98 - 17 - 3.3/10471=2, 8424/4642=2...(6) HB3 LEU 132 - H ASP 137 OK 15 77 - 20 - 3.6/10478=4, 4613/4.3=3...(8) HB2 PRO 118 - H ASP 137 OK 15 89 - 17 - 3.0/7755=2, 4.3/7757=2...(7) HB3 LEU 69 - H ASP 137 lone 9 94 - 10 - 3.0/10475=1 HB2 MET 59 - H ASP 137 lone 5 94 - 6 - HB2 LYS 86 - H ASP 137 lone 5 99 - 5 - HG3 PRO 12 - H ASP 137 lone 5 81 - 6 - HB3 GLN 111 - H ASP 137 lone 4 68 - 6 - HB2 GLN 62 - H ASP 137 lone 4 68 - 6 - 4.0/10478=2 HB2 LYS 24 - H ASP 137 lone 4 77 - 5 - HG2 PRO 12 - H ASP 137 lone 4 68 - 5 - Peak 7762 from nnoeabs.peaks (0.88, 8.45, 121.14 ppm; 3.23 A): 3 out of 6 assignments used, quality = 0.98: * QG2 ILE 136 + H ASP 137 OK 93 100 - 93 - 4.3=44, 2.1/4610=22...(33) QG2 ILE 101 + H ASP 137 OK 53 100 - 53 - 3.2/9694=8, 3.2/10174=6...(24) QD1 ILE 101 + H ASP 137 OK 50 100 - 50 - 2.1/9694=10, 2.1/10174=7...(20) QD1 LEU 97 - H ASP 137 OK 17 100 - 17 - 4594/3.6=2, ~9705=2...(5) QG2 VAL 80 - H ASP 137 OK 12 81 - 15 - 7748/3.4=2, 9956/7757=2...(6) HB3 LEU 42 - H ASP 137 lone 3 68 - 4 - 9711/3.8=1 Peak 7763 from nnoeabs.peaks (0.99, 8.45, 121.14 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.99: * HG12 ILE 136 + H ASP 137 OK 98 100 - 98 - 2.3/4618=33, 2.1/4642=29...(29) QD1 LEU 116 + H ASP 137 OK 45 100 - 45 - 4595/3.6=10, 4615/4.3=9...(11) HB2 LEU 39 - H ASP 137 OK 21 85 - 25 - 4615/4.3=5, 4607/4.6=5...(8) Peak 7764 from nnoeabs.peaks (1.65, 8.45, 121.14 ppm; 3.92 A): 2 out of 12 assignments used, quality = 0.99: * HG13 ILE 136 + H ASP 137 OK 96 100 - 96 - 2.3/4618=31, 2.1/4642=26...(27) HG2 ARG 140 + H ASP 137 OK 73 100 - 73 - ~10498=10, ~10373=8...(26) HG2 ARG 89 - H ASP 137 OK 41 77 - 53 - 10372/2.9=13, ~10499=10...(16) HD3 LYS 93 - H ASP 137 OK 27 100 - 27 - 4634=6, 7750/3.4=3...(11) HG2 ARG 124 - H ASP 137 OK 27 89 - 30 - 4230/3.4=4, 4.9/7759=3...(13) HB2 MET 68 - H ASP 137 OK 25 92 - 28 - 2.9/10471=4, 3.0/7755=4...(12) HB2 PRO 57 - H ASP 137 OK 24 99 - 24 - 8263/4.3=8, 4596/3.6=3...(7) HB2 LYS 114 - H ASP 137 OK 17 100 - 17 - 3.6/9694=5, 3.0/10475=2...(4) HB VAL 71 - H ASP 137 OK 13 77 - 17 - 4616/4.3=3, ~2083=2...(7) HB2 LEU 95 - H ASP 137 OK 11 77 - 14 - ~9698=2, ~9703=2...(4) HD2 LYS 48 - H ASP 137 lone 4 77 - 5 - HB2 ARG 145 - H ASP 137 lone 2 62 - 3 - Peak 7765 from nnoeabs.peaks (0.76, 8.45, 121.14 ppm; 3.79 A): 1 out of 5 assignments used, quality = 0.96: * QD1 ILE 136 + H ASP 137 OK 96 100 - 96 - 4642=35, 2.5/4610=27...(34) QG2 VAL 73 - H ASP 137 OK 33 100 - 33 - 2184/3.4=6, 4597/3.6=5...(11) QD2 LEU 72 - H ASP 137 OK 33 98 - 34 - 4597/3.6=5, 4617/4.3=5...(12) QD1 LEU 72 - H ASP 137 OK 32 100 - 32 - 4597/3.6=5, 4617/4.3=5...(10) QD1 LEU 108 - H ASP 137 OK 12 85 - 14 - 4597/3.6=2, 4617/4.3=2...(4) Peak 7766 from nnoeabs.peaks (4.46, 8.45, 121.14 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 137 + H ASP 137 OK 100 100 - 100 - 2.9=100 HA ASP 41 - H ASP 137 OK 17 100 - 17 - 7777/3.2=3, 9679/4.3=2...(6) HA SER 44 - H ASP 137 OK 15 94 - 15 - 4659/3.8=2, 4653/3.8=2...(7) HA SER 103 - H ASP 137 OK 10 96 - 11 - 7777/3.2=2, 9679/4.3=1 HA3 GLY 31 - H ASP 137 lone 6 98 - 6 - 7777/3.2=1 Peak 7767 from nnoeabs.peaks (2.69, 8.45, 121.14 ppm; 2.97 A): 2 out of 7 assignments used, quality = 0.86: * HB2 ASP 137 + H ASP 137 OK 81 100 - 81 - 3.8=47, 1.8/4658=26...(14) HB2 PHE 43 + H ASP 137 OK 25 89 - 29 - 1.8/7768=7, 4645/2.9=6...(9) HB3 TYR 115 - H ASP 137 lone 8 98 - 8 - 7778/3.2=2, ~9714=2, 4645/2.9=2 HB3 ASP 13 - H ASP 137 lone 7 85 - 8 - 122/3.2=2, ~117=2 HB2 ASP 32 - H ASP 137 lone 6 100 - 6 - 7778/3.2=2, 4645/2.9=2 HB3 ASP 16 - H ASP 137 lone 3 100 - 2 - HB3 CYS 121 - H ASP 137 lone 1 68 - 2 - Peak 7768 from nnoeabs.peaks (2.74, 8.45, 121.14 ppm; 2.89 A): 2 out of 9 assignments used, quality = 0.84: * HB3 ASP 137 + H ASP 137 OK 78 100 - 78 - 3.8=44, 1.8/4652=26...(14) HB3 PHE 43 + H ASP 137 OK 28 100 - 28 - 1.8/7767=6, 4646/2.9=5...(10) HE2 LYS 114 - H ASP 137 poor 9 72 - 12 - 3.0/9694=3, 7779/3.2=1...(4) HE2 LYS 76 - H ASP 137 poor 8 77 - 11 - ~10464=2, 9652/3.4=2 HG3 MET 113 - H ASP 137 lone 8 100 - 8 - 9676/4.3=1, 9652/3.4=1 HE3 LYS 76 - H ASP 137 poor 6 57 - 10 - ~10464=2, 9652/3.4=1, ~9652=1 HB3 ASP 40 - H ASP 137 lone 4 92 - 5 - HB2 ASN 54 - H ASP 137 lone 3 99 - 3 - HB2 ASN 96 - H ASP 137 lone 3 92 - 3 - Peak 7769 from nnoeabs.peaks (8.14, 8.45, 121.14 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H SER 138 + H ASP 137 OK 100 100 - 100 - 3.2=100 H THR 107 - H ASP 137 OK 36 94 - 38 - 7753/3.4=5, 4647/2.9=5...(16) H HIS 14 - H ASP 137 OK 10 98 - 10 - 4647/2.9=2, 4656/3.8=2...(4) Peak 7770 from nnoeabs.peaks (7.93, 8.45, 121.14 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.96: * H ASN 139 + H ASP 137 OK 96 100 - 96 - 7783/3.2=45, 7788=44...(15) Peak 7771 from nnoeabs.peaks (8.14, 8.14, 115.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 138 + H SER 138 OK 100 100 - 100 Peak 7772 from nnoeabs.peaks (4.21, 8.14, 115.13 ppm; 3.86 A): 5 out of 7 assignments used, quality = 0.88: * HA ALA 134 + H SER 138 OK 66 100 - 66 - 4571/3.2=26, 10448=19...(7) HA ILE 101 + H SER 138 OK 32 100 - 33 - 7756/3.2=7, 3.8/9699=6...(9) HA PHE 43 + H SER 138 OK 26 77 - 34 - 3.0/7779=7, 3.0/7778=6...(11) HA LYS 93 + H SER 138 OK 18 92 - 20 - ~10344=4, 4.0/9700=3...(8) HA THR 102 + H SER 138 OK 14 98 - 15 - 10186/3.6=5, 7756/3.2=3...(4) HA PHE 45 - H SER 138 lone 6 92 - 7 - 4.9/7777=1, 7756/3.2=1 HA LYS 85 - H SER 138 lone 3 68 - 4 - Peak 7773 from nnoeabs.peaks (4.26, 8.14, 115.13 ppm; 2.78 A): 2 out of 8 assignments used, quality = 0.98: HA SER 138 + H SER 138 OK 96 100 - 97 - 2.9=91, 3.6/7783=15...(25) * HA ALA 135 + H SER 138 OK 49 100 - 49 - 4583=11, 3.6/7774=11...(14) HA ARG 140 - H SER 138 OK 17 62 - 27 - 2.9/7815=7, 4.9/10484=4...(11) HA LEU 95 - H SER 138 poor 9 85 - 11 - ~10345=2, 4.3/9698=1 HA ARG 49 - H SER 138 lone 4 81 - 5 - 3.0/9698=1 HB THR 99 - H SER 138 lone 4 99 - 4 - HA2 GLY 50 - H SER 138 lone 2 100 - 2 - HA GLU 142 - H SER 138 lone 1 72 - 1 - Peak 7774 from nnoeabs.peaks (8.22, 8.14, 115.13 ppm; 3.26 A): 2 out of 5 assignments used, quality = 0.72: * H ILE 136 + H SER 138 OK 69 100 - 69 - 3.4/7776=22, 7753=13...(16) H ARG 124 + H SER 138 OK 11 99 - 11 - 7759/3.2=4, 4.2/9699=2 H THR 74 - H SER 138 lone 9 98 - 9 - 7759/3.2=4, 4.0/7775=1 H GLY 125 - H SER 138 lone 2 77 - 3 - 7759/3.2=1 H MET 11 - H SER 138 lone 2 89 - 2 - Peak 7775 from nnoeabs.peaks (3.71, 8.14, 115.13 ppm; 4.71 A): 2 out of 5 assignments used, quality = 0.97: * HA ILE 136 + H SER 138 OK 95 100 - 95 - 3.6/7776=38, 2.9/7774=33...(16) HA THR 107 + H SER 138 OK 51 99 - 51 - 3446=12, 7760/3.2=8...(14) HA ILE 91 - H SER 138 OK 28 96 - 29 - 7760/3.2=6, 7787/4.3=4...(8) HB THR 74 - H SER 138 OK 18 92 - 19 - 7760/3.2=4, 4.0/7774=4...(6) HA LEU 108 - H SER 138 OK 11 68 - 16 - 2.8/7267=7, 3.6/7282=3 Peak 7776 from nnoeabs.peaks (8.45, 8.14, 115.13 ppm; 2.99 A): 1 out of 2 assignments used, quality = 0.95: * H ASP 137 + H SER 138 OK 95 100 - 95 - 3.2=82, 2.9/7777=15...(20) H GLY 15 - H SER 138 OK 11 89 - 12 - 4643/3.6=2, 10480/2.9=2...(6) Peak 7777 from nnoeabs.peaks (4.46, 8.14, 115.13 ppm; 3.24 A): 1 out of 5 assignments used, quality = 0.93: * HA ASP 137 + H SER 138 OK 93 100 - 93 - 3.6=75, 2.9/7776=25...(17) HA ASP 41 - H SER 138 OK 17 100 - 17 - 7789/4.3=4, 10472/2.9=3...(6) HA SER 44 - H SER 138 OK 11 94 - 11 - 7766/3.2=2, 4659/4.5=2...(4) HA SER 103 - H SER 138 OK 11 96 - 11 - 7766/3.2=2, 7789/4.3=1 HA3 GLY 31 - H SER 138 lone 7 98 - 7 - 4.9/10484=1, 7766/3.2=1 Peak 7778 from nnoeabs.peaks (2.69, 8.14, 115.13 ppm; 3.20 A): 5 out of 7 assignments used, quality = 0.89: * HB2 ASP 137 + H SER 138 OK 76 100 - 76 - 4.5=37, 4652/3.2=21...(9) HB2 PHE 43 + H SER 138 OK 24 89 - 28 - 1.8/7779=7, 4645/3.6=5...(7) HB3 TYR 115 + H SER 138 OK 16 98 - 16 - 2.5/9714=5, 122=3...(5) HB3 ASP 13 + H SER 138 OK 16 85 - 18 - 122=4, 1.8/117=4...(6) HB2 ASP 32 + H SER 138 OK 12 100 - 12 - 3.0/10484=2...(5) HB3 ASP 16 - H SER 138 lone 2 100 - 2 - HB3 CYS 121 - H SER 138 lone 1 68 - 1 - Peak 7779 from nnoeabs.peaks (2.74, 8.14, 115.13 ppm; 3.14 A): 2 out of 9 assignments used, quality = 0.82: * HB3 ASP 137 + H SER 138 OK 75 100 - 75 - 4.5=34, 4658/3.2=20...(12) HB3 PHE 43 + H SER 138 OK 28 100 - 28 - 1.8/7778=5, 4646/3.6=5...(8) HE2 LYS 114 - H SER 138 poor 10 72 - 14 - 3.0/9699=4, 3.0/9700=2...(5) HG3 MET 113 - H SER 138 lone 7 100 - 7 - 7768/3.2=1, 3715/4.0=1 HE2 LYS 76 - H SER 138 lone 4 77 - 6 - 7768/3.2=1 HB3 ASP 40 - H SER 138 lone 4 92 - 4 - HB2 ASN 96 - H SER 138 lone 3 92 - 3 - HE3 LYS 76 - H SER 138 lone 3 57 - 5 - HB2 ASN 54 - H SER 138 lone 2 99 - 2 - Peak 7780 from nnoeabs.peaks (4.26, 8.14, 115.13 ppm; 2.78 A): 2 out of 8 assignments used, quality = 0.98: * HA SER 138 + H SER 138 OK 97 100 - 97 - 2.9=91, 3.6/7783=15...(25) HA ALA 135 + H SER 138 OK 49 100 - 49 - 4583=11, 3.6/7774=11...(14) HA ARG 140 - H SER 138 OK 22 77 - 28 - 2.9/7815=7, 4.9/10484=4...(11) HA LEU 95 - H SER 138 OK 10 94 - 11 - ~10345=2, 4.3/9698=1 HA ARG 49 - H SER 138 lone 5 92 - 5 - 3.0/9698=1 HB THR 99 - H SER 138 lone 4 100 - 4 - HA2 GLY 50 - H SER 138 lone 2 100 - 2 - HA3 GLY 78 - H SER 138 lone 1 62 - 1 - Peak 7781 from nnoeabs.peaks (4.00, 8.14, 115.13 ppm; 2.63 A): 2 out of 9 assignments used, quality = 0.92: * HB2 SER 138 + H SER 138 OK 71 100 - 71 - 4.0=29, 1.8/4669=11...(22) HB3 SER 138 + H SER 138 OK 71 100 - 71 - 4.0=29, 1.8/4669=11...(22) HA LYS 114 - H SER 138 lone 8 100 - 8 - 4.8/9699=1, 7792/4.3=1...(4) HA LEU 69 - H SER 138 lone 5 100 - 5 - HA GLU 122 - H SER 138 lone 5 100 - 5 - 3.0/9699=2 HB3 SER 127 - H SER 138 lone 5 85 - 6 - 1.8/10474=2, 9521/9702=1 HA MET 113 - H SER 138 lone 3 100 - 3 - HB2 SER 103 - H SER 138 lone 3 68 - 4 - 3.0/7777=1 HB3 SER 100 - H SER 138 lone 2 68 - 2 - Peak 7782 from nnoeabs.peaks (4.00, 8.14, 115.13 ppm; 2.63 A): 2 out of 9 assignments used, quality = 0.92: HB2 SER 138 + H SER 138 OK 71 100 - 71 - 4.0=29, 1.8/4669=11...(22) * HB3 SER 138 + H SER 138 OK 71 100 - 71 - 4.0=29, 1.8/4669=11...(22) HA LYS 114 - H SER 138 lone 8 100 - 8 - 4.8/9699=1, 7792/4.3=1...(4) HA LEU 69 - H SER 138 lone 5 100 - 5 - HA GLU 122 - H SER 138 lone 5 100 - 5 - 3.0/9699=2 HB3 SER 127 - H SER 138 lone 5 85 - 6 - 1.8/10474=2, 9521/9702=1 HA MET 113 - H SER 138 lone 3 100 - 3 - HB2 SER 103 - H SER 138 lone 3 68 - 4 - 3.0/7777=1 HB3 SER 100 - H SER 138 lone 2 68 - 2 - Peak 7783 from nnoeabs.peaks (7.93, 8.14, 115.13 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.80: * H ASN 139 + H SER 138 OK 80 100 - 80 - 4.3=44, 7788/3.2=16...(15) Peak 7785 from nnoeabs.peaks (7.93, 7.93, 119.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 139 + H ASN 139 OK 100 100 - 100 Peak 7786 from nnoeabs.peaks (4.26, 7.93, 119.91 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.96: HA SER 138 + H ASN 139 OK 93 100 - 94 - 3.6=81, 2.9/7783=27...(16) * HA ALA 135 + H ASN 139 OK 43 100 - 43 - 4.9/4599=12, 4583/4.3=11...(11) HA ARG 140 - H ASN 139 OK 31 62 - 50 - 2.9/7799=24, ~7818=6...(14) HA GLU 142 - H ASN 139 OK 16 72 - 22 - ~10358=4, ~10380=4...(7) HA LEU 95 - H ASN 139 poor 9 85 - 11 - 3.9/9937=4, 7816/3.1=1...(4) HA ARG 49 - H ASN 139 lone 7 81 - 8 - 7816/3.1=2, ~8201=1 HB THR 99 - H ASN 139 lone 5 99 - 5 - HA2 GLY 50 - H ASN 139 lone 2 100 - 2 - Peak 7787 from nnoeabs.peaks (3.71, 7.93, 119.91 ppm; 4.05 A): 3 out of 5 assignments used, quality = 0.94: * HA ILE 136 + H ASN 139 OK 89 100 - 89 - 4599=47, 3.6/7788=23...(15) HA THR 107 + H ASN 139 OK 29 99 - 29 - 3446/4.3=6, 3.0/7790=6...(10) HA ILE 91 + H ASN 139 OK 25 96 - 26 - 4695/4.0=4, 4687/4.0=3...(12) HB THR 74 - H ASN 139 OK 19 92 - 20 - 2.1/9937=7, 7813/3.1=3...(7) HA LEU 108 - H ASN 139 lone 3 68 - 5 - Peak 7788 from nnoeabs.peaks (8.45, 7.93, 119.91 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.89: * H ASP 137 + H ASN 139 OK 87 100 - 87 - 3.2/7783=35, 7770=27...(15) H GLY 15 + H ASN 139 OK 12 89 - 13 - 4598/4599=3, 7776/4.3=3...(6) Peak 7789 from nnoeabs.peaks (4.46, 7.93, 119.91 ppm; 3.96 A): 3 out of 5 assignments used, quality = 0.86: * HA ASP 137 + H ASN 139 OK 75 100 - 75 - 3.6/7783=31, 2.9/7788=26...(9) HA ASP 41 + H ASN 139 OK 37 100 - 37 - 892/4.0=6, 3.0/7796=6...(11) HA SER 103 + H ASN 139 OK 15 96 - 15 - 7814/3.1=5, 3.6/7799=2...(5) HA SER 44 - H ASN 139 lone 9 94 - 10 - 996/3.1=3, 7777/4.3=2 HA3 GLY 31 - H ASN 139 lone 8 98 - 8 - 7814/3.1=2, 4.9/7794=1...(4) Peak 7790 from nnoeabs.peaks (8.14, 7.93, 119.91 ppm; 3.12 A): 2 out of 3 assignments used, quality = 0.81: * H SER 138 + H ASN 139 OK 78 100 - 78 - 7783=44, 3.2/7788=15...(15) H THR 107 + H ASN 139 OK 14 94 - 15 - 3.0/7787=3, 4663/3.6=2...(7) H HIS 14 - H ASN 139 lone 5 98 - 5 - 4663/3.6=1, 4.7/7788=1 Peak 7791 from nnoeabs.peaks (4.26, 7.93, 119.91 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.96: * HA SER 138 + H ASN 139 OK 94 100 - 94 - 3.6=81, 2.9/7783=27...(16) HA ALA 135 + H ASN 139 OK 43 100 - 44 - 4.9/4599=12, 4583/4.3=10...(11) HA ARG 140 - H ASN 139 OK 41 77 - 53 - 2.9/7799=24, 10370/3.0=7...(15) HA LEU 95 - H ASN 139 OK 10 94 - 11 - 3.9/9937=4, 7816/3.1=1...(4) HA ARG 49 - H ASN 139 lone 8 92 - 9 - 7816/3.1=2, ~8201=1, 10354/3.0=1 HB THR 99 - H ASN 139 lone 5 100 - 5 - HA2 GLY 50 - H ASN 139 lone 2 100 - 2 - HA3 GLY 78 - H ASN 139 lone 1 62 - 2 - Peak 7792 from nnoeabs.peaks (4.00, 7.93, 119.91 ppm; 3.17 A): 3 out of 9 assignments used, quality = 0.93: HB3 SER 138 + H ASN 139 OK 70 100 - 71 - 4.7=32, 4.0/7783=18...(15) * HB2 SER 138 + H ASN 139 OK 70 100 - 71 - 4.7=32, 4.0/7783=18...(15) HA LYS 114 + H ASN 139 OK 21 100 - 21 - 10355/3.0=3, 3739/4.0=3...(10) HA LEU 69 - H ASN 139 lone 7 100 - 7 - HB2 SER 103 - H ASN 139 lone 5 68 - 7 - 3.0/7789=2, ~7814=1, ~3387=1 HB3 SER 127 - H ASN 139 lone 4 85 - 5 - HA MET 113 - H ASN 139 lone 4 100 - 4 - HA GLU 122 - H ASN 139 lone 4 100 - 4 - HB3 SER 100 - H ASN 139 lone 3 68 - 4 - Peak 7793 from nnoeabs.peaks (4.00, 7.93, 119.91 ppm; 3.17 A): 3 out of 9 assignments used, quality = 0.93: * HB3 SER 138 + H ASN 139 OK 70 100 - 71 - 4.7=32, 4.0/7783=18...(15) HB2 SER 138 + H ASN 139 OK 70 100 - 71 - 4.7=32, 4.0/7783=18...(15) HA LYS 114 + H ASN 139 OK 21 100 - 21 - 10355/3.0=3, 3739/4.0=3...(10) HA LEU 69 - H ASN 139 lone 7 100 - 7 - HB2 SER 103 - H ASN 139 lone 5 68 - 7 - 3.0/7789=2, ~7814=1, ~3387=1 HB3 SER 127 - H ASN 139 lone 4 85 - 5 - HA MET 113 - H ASN 139 lone 4 100 - 4 - HA GLU 122 - H ASN 139 lone 4 100 - 4 - HB3 SER 100 - H ASN 139 lone 3 68 - 4 - Peak 7794 from nnoeabs.peaks (4.65, 7.93, 119.91 ppm; 3.22 A): 1 out of 7 assignments used, quality = 1.00: * HA ASN 139 + H ASN 139 OK 100 100 - 100 - 3.0=100 HA GLN 62 - H ASN 139 OK 25 81 - 31 - 2.9/11398=14...(12) HA GLN 111 - H ASN 139 OK 19 94 - 20 - 7818/3.1=4, 4697/4.0=2...(7) HA ASP 32 - H ASN 139 OK 11 92 - 12 - 10484/4.3=2, 4697/4.0=1...(4) HA LEU 87 - H ASN 139 lone 7 81 - 9 - 4697/4.0=1, 4689/4.0=1 HG1 THR 110 - H ASN 139 lone 5 94 - 5 - ~9293=2 HA MET 11 - H ASN 139 lone 3 68 - 4 - Peak 7795 from nnoeabs.peaks (2.82, 7.93, 119.91 ppm; 2.76 A): 3 out of 5 assignments used, quality = 0.85: * HB2 ASN 139 + H ASN 139 OK 78 100 - 79 - 4688=35, 1.8/4696=28...(13) HE3 LYS 114 + H ASN 139 OK 19 100 - 19 - 4682/3.0=4, ~9339=4...(8) HB2 ASP 40 + H ASN 139 OK 17 99 - 17 - 4688=4, 4682/3.0=4...(5) HB2 ASN 130 - H ASN 139 lone 3 100 - 3 - HB3 ASN 54 - H ASN 139 lone 2 92 - 2 - Peak 7796 from nnoeabs.peaks (2.80, 7.93, 119.91 ppm; 2.73 A): 2 out of 3 assignments used, quality = 0.81: * HB3 ASN 139 + H ASN 139 OK 78 100 - 78 - 4696=36, 1.8/4688=25...(13) HB3 ASP 41 + H ASN 139 OK 15 98 - 16 - 4683/3.0=3, 3.0/7789=3...(7) HB2 ASN 128 - H ASN 139 lone 5 94 - 5 - 4683/3.0=2, 4691/4.0=1 Peak 7799 from nnoeabs.peaks (7.99, 7.93, 119.91 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.93: * H ARG 140 + H ASN 139 OK 93 100 - 93 - 3.1=83, 7818/3.0=13...(15) H VAL 73 - H ASN 139 lone 9 100 - 9 - 4686/3.0=2, 4702/4.0=1 H ALA 104 - H ASN 139 lone 7 98 - 7 - 3.6/7789=1 H GLN 47 - H ASN 139 lone 5 100 - 5 - 4686/3.0=1 H ARG 145 - H ASN 139 lone 1 68 - 2 - Peak 7800 from nnoeabs.peaks (6.95, 6.95, 114.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 139 + HD21 ASN 139 OK 100 100 - 100 Peak 7802 from nnoeabs.peaks (4.65, 6.95, 114.43 ppm; 3.97 A): 1 out of 7 assignments used, quality = 0.96: * HA ASN 139 + HD21 ASN 139 OK 96 100 - 96 - 4.5=71, 4683/3.5=28...(13) HA GLN 111 - HD21 ASN 139 OK 16 94 - 17 - 7808/1.7=5, 4697/3.5=4...(4) HA ASP 32 - HD21 ASN 139 poor 10 92 - 11 - 7808/1.7=3, 4697/3.5=2 HA GLN 62 - HD21 ASN 139 poor 8 81 - 10 - 7794/5.8=2, 7808/1.7=2...(4) HA LEU 87 - HD21 ASN 139 lone 8 81 - 10 - 4697/3.5=2, 7808/1.7=2...(4) HG1 THR 110 - HD21 ASN 139 lone 4 94 - 4 - 7808/1.7=1 HA MET 11 - HD21 ASN 139 lone 2 68 - 3 - Peak 7803 from nnoeabs.peaks (2.82, 6.95, 114.43 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.93: * HB2 ASN 139 + HD21 ASN 139 OK 93 100 - 93 - 3.5=79, 7809/1.7=28...(9) HB2 ASP 40 - HD21 ASN 139 OK 17 99 - 17 - 7809/1.7=5, 4698/3.5=4...(5) HE3 LYS 114 - HD21 ASN 139 OK 14 100 - 14 - 7809/1.7=4, 4698/3.5=4...(4) HB2 ASN 130 - HD21 ASN 139 lone 4 100 - 4 - 7809/1.7=1 HB3 ASN 54 - HD21 ASN 139 lone 2 92 - 2 - Peak 7804 from nnoeabs.peaks (2.80, 6.95, 114.43 ppm; 3.23 A): 2 out of 3 assignments used, quality = 0.94: * HB3 ASN 139 + HD21 ASN 139 OK 92 100 - 92 - 3.5=76, 7810/1.7=29...(8) HB3 ASP 41 + HD21 ASN 139 OK 27 98 - 28 - 3.0/9746=9, 7810/1.7=8...(6) HB2 ASN 128 - HD21 ASN 139 lone 6 94 - 7 - 7810/1.7=2, 4691/3.5=2 Peak 7805 from nnoeabs.peaks (7.89, 6.95, 114.43 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 139 + HD21 ASN 139 OK 100 100 - 100 - 1.7=100 H ILE 83 - HD21 ASN 139 OK 14 99 - 14 - 3.9/8835=4, ~2497=3...(6) Peak 7806 from nnoeabs.peaks (7.89, 7.89, 114.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 139 + HD22 ASN 139 OK 100 100 - 100 Peak 7808 from nnoeabs.peaks (4.65, 7.89, 114.43 ppm; 3.81 A): 2 out of 7 assignments used, quality = 0.94: * HA ASN 139 + HD22 ASN 139 OK 93 100 - 93 - 4.5=62, 3.0/7810=26...(13) HA GLN 111 + HD22 ASN 139 OK 16 94 - 17 - 7802/1.7=4, 4697/3.5=4...(6) HA ASP 32 - HD22 ASN 139 lone 9 92 - 9 - 7802/1.7=2, 4697/3.5=2 HA LEU 87 - HD22 ASN 139 poor 8 81 - 10 - 4697/3.5=2, 7802/1.7=2...(5) HA GLN 62 - HD22 ASN 139 lone 8 81 - 10 - 7802/1.7=2, 7794/5.8=2...(4) HG1 THR 110 - HD22 ASN 139 lone 4 94 - 4 - HA MET 11 - HD22 ASN 139 lone 2 68 - 3 - Peak 7809 from nnoeabs.peaks (2.82, 7.89, 114.43 ppm; 3.05 A): 3 out of 5 assignments used, quality = 0.91: * HB2 ASN 139 + HD22 ASN 139 OK 88 100 - 88 - 3.5=63, 1.8/4701=24...(10) HB2 ASP 40 + HD22 ASN 139 OK 15 99 - 15 - 7803/1.7=4, 4698/3.5=3...(5) HE3 LYS 114 + HD22 ASN 139 OK 12 100 - 12 - 7803/1.7=3, 4698/3.5=3...(4) HB2 ASN 130 - HD22 ASN 139 lone 3 100 - 3 - HB3 ASN 54 - HD22 ASN 139 lone 2 92 - 2 - Peak 7810 from nnoeabs.peaks (2.80, 7.89, 114.43 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.90: * HB3 ASN 139 + HD22 ASN 139 OK 86 100 - 86 - 3.5=60, 7804/1.7=22...(11) HB3 ASP 41 + HD22 ASN 139 OK 24 98 - 24 - 7804/1.7=7, 3.0/9747=6...(7) HB2 ASN 128 - HD22 ASN 139 lone 6 94 - 6 - 7804/1.7=2, 4691/3.5=2 Peak 7811 from nnoeabs.peaks (6.95, 7.89, 114.43 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 139 + HD22 ASN 139 OK 100 100 - 100 - 1.7=100 QD PHE 23 - HD22 ASN 139 lone 2 85 - 2 - QD PHE 38 - HD22 ASN 139 lone 1 62 - 1 - Peak 7812 from nnoeabs.peaks (7.99, 7.99, 120.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 140 + H ARG 140 OK 100 100 - 100 Peak 7813 from nnoeabs.peaks (3.71, 7.99, 120.42 ppm; 5.21 A): 2 out of 5 assignments used, quality = 0.95: * HA ILE 136 + H ARG 140 OK 92 100 - 92 - 4599/3.1=42, 4600/4.6=26...(21) HA THR 107 + H ARG 140 OK 35 99 - 35 - 7787/3.1=7, 3.0/7815=7...(9) HB THR 74 - H ARG 140 OK 32 92 - 35 - ~8609=7, ~9937=7...(8) HA ILE 91 - H ARG 140 OK 31 96 - 32 - 7787/3.1=6, 4695/4.6=5...(10) HA LEU 108 - H ARG 140 lone 6 68 - 8 - Peak 7814 from nnoeabs.peaks (4.46, 7.99, 120.42 ppm; 3.68 A): 4 out of 5 assignments used, quality = 0.87: * HA ASP 137 + H ARG 140 OK 72 100 - 72 - 3.6/7815=13, 7789/3.1=13...(19) HA ASP 41 + H ARG 140 OK 30 100 - 30 - 7789/3.1=6, 3.0/7820=6...(9) HA SER 103 + H ARG 140 OK 25 96 - 26 - 3387=7, 10369/2.9=5...(7) HA SER 44 + H ARG 140 OK 16 94 - 17 - 996=3, 10369/2.9=2...(8) HA3 GLY 31 - H ARG 140 lone 9 98 - 9 - 10369/2.9=2, 7789/3.1=1...(4) Peak 7815 from nnoeabs.peaks (8.14, 7.99, 120.42 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.91: * H SER 138 + H ARG 140 OK 89 100 - 89 - 7783/3.1=44, 3.6/7814=18...(17) H THR 107 + H ARG 140 OK 21 94 - 23 - 7790/3.1=7, 3.0/7813=5...(6) H HIS 14 - H ARG 140 lone 5 98 - 5 - 7790/3.1=2 Peak 7816 from nnoeabs.peaks (4.26, 7.99, 120.42 ppm; 3.20 A): 4 out of 8 assignments used, quality = 0.94: HA ARG 140 + H ARG 140 OK 77 77 - 100 - 2.9=100 * HA SER 138 + H ARG 140 OK 62 100 - 62 - 3.6/7799=18, 2.9/7815=11...(16) HA ALA 135 + H ARG 140 OK 20 100 - 21 - 7791/3.1=5, 4.9/7813=4...(6) HA ARG 49 + H ARG 140 OK 15 92 - 16 - 3.0/7827=2, 1240/4.9=2...(6) HA LEU 95 - H ARG 140 lone 9 94 - 10 - 7791/3.1=1 HA2 GLY 50 - H ARG 140 lone 5 100 - 5 - 8230/6.0=2 HB THR 99 - H ARG 140 lone 5 100 - 5 - HA3 GLY 78 - H ARG 140 lone 3 62 - 6 - Peak 7817 from nnoeabs.peaks (7.93, 7.99, 120.42 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 139 + H ARG 140 OK 100 100 - 100 - 3.1=100 Peak 7818 from nnoeabs.peaks (4.65, 7.99, 120.42 ppm; 3.29 A): 1 out of 7 assignments used, quality = 0.95: * HA ASN 139 + H ARG 140 OK 95 100 - 95 - 3.6=78, 3.0/7799=23...(17) HA GLN 111 - H ARG 140 OK 23 94 - 25 - 10374/4.0=6, 10370/2.9=4...(8) HA GLN 62 - H ARG 140 OK 14 81 - 17 - ~11398=7, 7794/3.1=4...(4) HA ASP 32 - H ARG 140 lone 6 92 - 6 - 7794/3.1=2, 4697/4.6=1 HA LEU 87 - H ARG 140 lone 4 81 - 5 - 4697/4.6=1, 7794/3.1=1 HA MET 11 - H ARG 140 lone 4 68 - 6 - 10374/4.0=2, 2.9/7830=1 HG1 THR 110 - H ARG 140 lone 2 94 - 2 - Peak 7819 from nnoeabs.peaks (2.82, 7.99, 120.42 ppm; 3.22 A): 3 out of 5 assignments used, quality = 0.88: * HB2 ASN 139 + H ARG 140 OK 82 100 - 82 - 4.6=34, 4688/3.1=23...(14) HE3 LYS 114 + H ARG 140 OK 17 100 - 18 - 4682/3.6=5, 7795/3.1=4...(4) HB2 ASP 40 + H ARG 140 OK 17 99 - 17 - 4682/3.6=4, 7795/3.1=4...(5) HB2 ASN 130 - H ARG 140 lone 5 100 - 4 - 4682/3.6=1 HB3 ASN 54 - H ARG 140 lone 3 92 - 3 - 10497/2.9=1 Peak 7820 from nnoeabs.peaks (2.80, 7.99, 120.42 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.87: * HB3 ASN 139 + H ARG 140 OK 84 100 - 84 - 4.6=35, 4696/3.1=26...(15) HB3 ASP 41 + H ARG 140 OK 19 98 - 20 - 7796/3.1=4, 3.0/7814=4...(7) HB2 ASN 128 - H ARG 140 lone 6 94 - 6 - 4683/3.6=2, 7796/3.1=1 Peak 7822 from nnoeabs.peaks (7.89, 7.99, 120.42 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.80: * HD22 ASN 139 + H ARG 140 OK 76 100 - 76 - 3.5/7820=26, 3.5/7819=23...(12) H ILE 83 + H ARG 140 OK 16 99 - 16 - 4693/4.6=5, 4701/4.6=5...(4) Peak 7823 from nnoeabs.peaks (4.28, 7.99, 120.42 ppm; 2.88 A): 1 out of 10 assignments used, quality = 0.99: * HA ARG 140 + H ARG 140 OK 99 100 - 99 - 2.9=96, 4711/3.2=14...(28) HA SER 138 - H ARG 140 OK 40 77 - 52 - 3.6/7799=14, 2.9/7815=8...(16) HA PRO 118 - H ARG 140 OK 24 99 - 25 - 2.3/7824=4, 4724/4.0=2...(10) HA ARG 49 - H ARG 140 OK 14 99 - 14 - 3.0/7827=2, 4742/4.9=1...(5) HA ALA 135 - H ARG 140 poor 8 62 - 13 - 4.9/7813=3, 10354/3.6=3...(4) HA LEU 95 - H ARG 140 lone 8 98 - 8 - HA3 GLY 78 - H ARG 140 lone 5 100 - 5 - HB THR 99 - H ARG 140 lone 3 81 - 4 - HA2 GLY 50 - H ARG 140 lone 2 68 - 2 - HA THR 18 - H ARG 140 lone 1 72 - 1 - Peak 7824 from nnoeabs.peaks (1.93, 7.99, 120.42 ppm; 2.71 A): 4 out of 14 assignments used, quality = 0.93: * HB2 ARG 140 + H ARG 140 OK 81 100 - 81 - 4.0=31, 1.8/7825=13...(36) HB2 ARG 89 + H ARG 140 OK 40 96 - 42 - 1.8/7825=6, 2859/2.9=6...(19) HB2 PRO 118 + H ARG 140 OK 23 96 - 24 - 4713=4, 4705/2.9=3...(12) HB ILE 136 + H ARG 140 OK 18 62 - 29 - ~4599=4, 2.1/9738=4...(10) HB2 GLN 62 - H ARG 140 lone 9 100 - 8 - 1757/3.6=2, 3.0/7818=2 HG13 ILE 83 - H ARG 140 lone 5 72 - 7 - 4.4/7822=1, 3.0/7827=1 HG2 PRO 12 - H ARG 140 lone 5 100 - 5 - HB3 LEU 132 - H ARG 140 lone 4 100 - 4 - HG3 PRO 12 - H ARG 140 lone 4 99 - 4 - HB3 PRO 52 - H ARG 140 lone 2 85 - 3 - HG2 PRO 52 - H ARG 140 lone 2 81 - 2 - HB2 LYS 86 - H ARG 140 lone 1 81 - 2 - HB2 MET 59 - H ARG 140 lone 1 92 - 2 - HB3 GLU 122 - H ARG 140 lone 1 68 - 1 - Peak 7825 from nnoeabs.peaks (1.89, 7.99, 120.42 ppm; 2.68 A): 4 out of 9 assignments used, quality = 0.93: * HB3 ARG 140 + H ARG 140 OK 79 100 - 79 - 4.0=29, 1.8/7824=13...(34) HB3 ARG 141 + H ARG 140 OK 43 99 - 43 - 7835/3.2=6, 4723=4...(21) HB3 ARG 89 + H ARG 140 OK 37 92 - 41 - 1.8/7824=6, 2867/2.9=5...(20) HB3 GLN 111 + H ARG 140 OK 11 96 - 12 - 2.9/7818=3, 4706/2.9=2...(5) HB ILE 101 - H ARG 140 poor 10 89 - 11 - 3.2/9738=2, 2.1/9738=2 HB3 LYS 93 - H ARG 140 lone 9 100 - 9 - 4706/2.9=1, 7835/3.2=1 HB2 LYS 24 - H ARG 140 lone 4 92 - 5 - HB3 LEU 69 - H ARG 140 lone 3 72 - 5 - 3.2/9884=1 QE MET 68 - H ARG 140 lone 2 62 - 4 - Peak 7826 from nnoeabs.peaks (1.65, 7.99, 120.42 ppm; 3.40 A): 2 out of 12 assignments used, quality = 0.96: * HG2 ARG 140 + H ARG 140 OK 91 100 - 91 - 4.9=34, 1.8/4741=18...(39) HG2 ARG 89 + H ARG 140 OK 51 81 - 63 - 2875/2.9=7, 2.8/7824=7...(27) HG13 ILE 136 - H ARG 140 OK 41 100 - 41 - 2.3/9738=7, 3.7/7813=6...(14) HG2 ARG 124 - H ARG 140 OK 20 92 - 22 - 4707/2.9=3, 4727/4.0=2...(8) HB2 LYS 114 - H ARG 140 OK 18 99 - 19 - 3741/3.6=6, 10365/4.6=3...(5) HD3 LYS 93 - H ARG 140 OK 16 99 - 16 - 7836/3.2=2, 4707/2.9=2...(6) HB2 MET 68 - H ARG 140 OK 14 94 - 15 - 7836/3.2=3, ~7841=2...(6) HB2 LEU 95 - H ARG 140 poor 9 81 - 11 - ~9937=2, 3.0/7816=1, 4707/2.9=1 HB VAL 71 - H ARG 140 lone 7 81 - 9 - 4.6/6750=2, 2.1/9905=1 HD2 LYS 48 - H ARG 140 lone 6 81 - 7 - 7836/3.2=2, ~7844=1 HB2 PRO 57 - H ARG 140 lone 6 98 - 6 - HB2 ARG 145 - H ARG 140 lone 3 68 - 4 - Peak 7827 from nnoeabs.peaks (1.74, 7.99, 120.42 ppm; 3.21 A): 2 out of 8 assignments used, quality = 0.93: * HG3 ARG 140 + H ARG 140 OK 89 100 - 89 - 4.9=28, 1.8/4732=17...(43) HG3 ARG 89 + H ARG 140 OK 36 62 - 58 - 2.8/7824=6, 4708/2.9=6...(27) HB2 ARG 49 - H ARG 140 OK 19 100 - 19 - 4708/2.9=3, 3.0/7823=2...(8) HB3 ARG 144 - H ARG 140 OK 13 85 - 15 - 7837/3.2=2, 4708/2.9=1...(5) HB ILE 83 - H ARG 140 OK 12 72 - 16 - 9741/4.6=4, 4.0/7822=2...(4) HB2 GLU 81 - H ARG 140 OK 11 100 - 11 - 4708/2.9=2, 10493/4.6=2 HD2 LYS 36 - H ARG 140 lone 9 92 - 9 - 7837/3.2=2, ~7841=1, 4708/2.9=1 HB3 GLU 81 - H ARG 140 poor 8 72 - 11 - 10493/4.6=2, 9741/4.6=1...(4) Peak 7828 from nnoeabs.peaks (3.22, 7.99, 120.42 ppm; 3.93 A): 3 out of 6 assignments used, quality = 1.00: * HD2 ARG 140 + H ARG 140 OK 95 100 - 95 - 6.0=28, 2.9/4732=19...(43) HD3 ARG 140 + H ARG 140 OK 89 94 - 95 - 6.0=28, 2.9/4732=19...(42) HD3 ARG 89 + H ARG 140 OK 50 81 - 62 - 2899/2.9=8, 3.5/7824=7...(19) HD3 ARG 124 - H ARG 140 OK 22 96 - 23 - 4709/2.9=3, 4253/4.9=3...(9) HG3 MET 46 - H ARG 140 lone 8 92 - 9 - 3.3/10684=2, 4.1/1047=2 HB3 TYR 117 - H ARG 140 lone 4 98 - 4 - Peak 7829 from nnoeabs.peaks (3.22, 7.99, 120.42 ppm; 3.93 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 140 + H ARG 140 OK 95 100 - 95 - 6.0=28, 2.9/4732=19...(42) HD2 ARG 140 + H ARG 140 OK 90 94 - 95 - 6.0=28, 2.9/4732=19...(43) HD3 ARG 141 + H ARG 140 OK 48 85 - 57 - 3.5/7825=8, ~4804=7...(19) HD2 ARG 141 - H ARG 140 OK 38 68 - 56 - 3.5/7825=8, ~4804=7...(19) HD3 ARG 124 - H ARG 140 OK 23 100 - 23 - 4253/4.9=3, 4710/2.9=3...(9) HG3 MET 46 - H ARG 140 lone 9 100 - 9 - 3.3/10684=2, 4.1/1047=2 HB3 TYR 117 - H ARG 140 lone 4 100 - 4 - Peak 7830 from nnoeabs.peaks (8.20, 7.99, 120.42 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 141 + H ARG 140 OK 100 100 - 100 - 3.2=100 H GLU 142 - H ARG 140 OK 24 89 - 27 - 10509=8, 4711/2.9=5...(8) H ARG 124 - H ARG 140 lone 7 77 - 9 - 4740/4.9=2, 4711/2.9=1 H MET 11 - H ARG 140 lone 6 94 - 6 - 4711/2.9=1 Peak 7831 from nnoeabs.peaks (8.20, 8.20, 121.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 141 + H ARG 141 OK 100 100 - 100 Peak 7832 from nnoeabs.peaks (7.99, 8.20, 121.17 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 140 + H ARG 141 OK 100 100 - 100 - 3.2=100 H ALA 104 - H ARG 141 OK 19 98 - 19 - 10509/4.6=4, 9206/2.9=3...(7) H VAL 73 - H ARG 141 OK 15 100 - 15 - 4703/3.6=3, 10509/4.6=2...(6) H GLN 47 - H ARG 141 OK 15 100 - 15 - 4703/3.6=4, 4713/4.7=3...(5) H ARG 145 - H ARG 141 lone 6 68 - 8 - 4.3/7837=2 Peak 7833 from nnoeabs.peaks (4.28, 8.20, 121.17 ppm; 2.97 A): 3 out of 10 assignments used, quality = 0.84: * HA ARG 140 + H ARG 141 OK 79 100 - 79 - 3.6=58, 7823/3.2=11...(17) HA SER 138 + H ARG 141 OK 16 77 - 21 - 7823/3.2=4, ~7815=4...(9) HA PRO 118 + H ARG 141 OK 13 99 - 13 - 7823/3.2=3, 2.3/7834=3...(5) HA ARG 49 - H ARG 141 lone 9 99 - 9 - 3.0/7837=2, 7823/3.2=2 HA LEU 95 - H ARG 141 lone 4 98 - 4 - HA3 GLY 78 - H ARG 141 lone 2 100 - 2 - HB THR 99 - H ARG 141 lone 1 81 - 2 - HA ALA 135 - H ARG 141 lone 1 62 - 2 - 7816/3.2=1 HA2 GLY 50 - H ARG 141 lone 1 68 - 2 - HA THR 18 - H ARG 141 lone 0 72 - 1 - Peak 7834 from nnoeabs.peaks (1.93, 8.20, 121.17 ppm; 3.26 A): 4 out of 14 assignments used, quality = 0.91: * HB2 ARG 140 + H ARG 141 OK 82 100 - 82 - 4.7=34, 3.0/4711=19...(26) HB2 ARG 89 + H ARG 141 OK 31 96 - 33 - 2859/3.6=7, 7824/3.2=6...(11) HB2 PRO 118 + H ARG 141 OK 17 96 - 18 - 4705/3.6=3, 2.3/7833=3...(6) HB ILE 136 + H ARG 141 OK 11 62 - 18 - ~9738=3, ~10457=3...(8) HG2 PRO 12 - H ARG 141 lone 5 100 - 5 - 8005/10501=1 HB2 GLN 62 - H ARG 141 lone 5 100 - 5 - 7824/3.2=1 HB3 LEU 132 - H ARG 141 lone 4 100 - 4 - HG13 ILE 83 - H ARG 141 lone 4 72 - 5 - HG3 PRO 12 - H ARG 141 lone 3 99 - 3 - HB3 PRO 52 - H ARG 141 lone 2 85 - 2 - HG2 PRO 52 - H ARG 141 lone 2 81 - 2 - HB2 LYS 86 - H ARG 141 lone 2 81 - 2 - HB2 MET 59 - H ARG 141 lone 1 92 - 1 - HB3 GLU 122 - H ARG 141 lone 1 68 - 1 - Peak 7835 from nnoeabs.peaks (1.89, 8.20, 121.17 ppm; 3.04 A): 2 out of 9 assignments used, quality = 0.96: HB3 ARG 141 + H ARG 141 OK 83 99 - 84 - 4.0=42, 1.8/7841=19...(22) * HB3 ARG 140 + H ARG 141 OK 77 100 - 77 - 4.7=28, 3.0/4711=16...(23) HB3 ARG 89 - H ARG 141 OK 27 92 - 30 - 1.8/7834=6, 2867/3.6=5...(10) HB3 LYS 93 - H ARG 141 OK 18 100 - 18 - 4771/2.9=3, 3.4/7844=2...(7) HB3 GLN 111 - H ARG 141 lone 6 96 - 6 - 4706/3.6=2, 7825/3.2=1 HB2 LYS 24 - H ARG 141 lone 6 92 - 6 - HB ILE 101 - H ARG 141 lone 6 89 - 6 - 4706/3.6=1, 7825/3.2=1, ~9738=1 QE MET 68 - H ARG 141 lone 4 62 - 7 - 4.2/7841=2, 4.2/7836=2 HB3 LEU 69 - H ARG 141 lone 2 72 - 3 - Peak 7836 from nnoeabs.peaks (1.65, 8.20, 121.17 ppm; 3.67 A): 4 out of 12 assignments used, quality = 0.94: * HG2 ARG 140 + H ARG 141 OK 84 100 - 84 - 3.8/4711=18, 4732/3.2=15...(27) HG2 ARG 89 + H ARG 141 OK 32 81 - 40 - 2875/3.6=7, 2.8/7834=6...(12) HB2 MET 68 + H ARG 141 OK 30 94 - 31 - 1.8/7841=7, ~4770=4...(11) HD3 LYS 93 + H ARG 141 OK 26 99 - 27 - 1.8/7844=5, ~4773=3...(9) HG13 ILE 136 - H ARG 141 OK 25 100 - 25 - 7826/3.2=4, ~9738=4...(7) HD2 LYS 48 - H ARG 141 OK 19 81 - 24 - 1.8/7844=4, 3.0/7843=2...(10) HG2 ARG 124 - H ARG 141 OK 16 92 - 17 - 4707/3.6=2, 7826/3.2=2...(6) HB2 LYS 114 - H ARG 141 lone 6 99 - 6 - 7826/3.2=2, 4707/3.6=1, ~9751=1 HB2 LEU 95 - H ARG 141 lone 5 81 - 6 - 3.0/7833=1 HB VAL 71 - H ARG 141 lone 5 81 - 6 - ~9905=1 HB2 PRO 57 - H ARG 141 lone 3 98 - 3 - HB2 ARG 145 - H ARG 141 lone 3 68 - 4 - Peak 7837 from nnoeabs.peaks (1.74, 8.20, 121.17 ppm; 3.98 A): 5 out of 8 assignments used, quality = 0.95: * HG3 ARG 140 + H ARG 141 OK 85 100 - 85 - 3.8/4711=21, 2.9/7834=18...(26) HG3 ARG 89 + H ARG 141 OK 27 62 - 44 - 4708/3.6=7, 2.8/7834=7...(12) HB3 ARG 144 + H ARG 141 OK 24 85 - 28 - 3.0/4795=5, 3.0/7843=3...(13) HD2 LYS 36 + H ARG 141 OK 23 92 - 26 - 1.8/7841=5, ~4770=3...(10) HB2 ARG 49 + H ARG 141 OK 20 100 - 20 - 4708/3.6=4, 8201/3.2=4...(6) HB2 GLU 81 - H ARG 141 lone 9 100 - 9 - 4708/3.6=2, 7827/3.2=2 HB ILE 83 - H ARG 141 lone 7 72 - 9 - 7827/3.2=2, 4708/3.6=2...(4) HB3 GLU 81 - H ARG 141 lone 5 72 - 7 - 4708/3.6=1, 7827/3.2=1, ~7827=1 Peak 7840 from nnoeabs.peaks (4.24, 8.20, 121.17 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 141 + H ARG 141 OK 100 100 - 100 - 2.9=100 HA GLU 142 - H ARG 141 OK 42 81 - 52 - 7850/4.6=7, 4831=7...(21) HB THR 92 - H ARG 141 OK 15 96 - 15 - 9023/4.0=2, 4805/4.9=1...(7) HB THR 102 - H ARG 141 lone 5 98 - 5 - HA LYS 85 - H ARG 141 lone 2 68 - 3 - Peak 7841 from nnoeabs.peaks (1.82, 8.20, 121.17 ppm; 3.09 A): 4 out of 6 assignments used, quality = 0.91: * HB2 ARG 141 + H ARG 141 OK 84 100 - 84 - 4.0=45, 3.0/4768=17...(23) HB3 MET 68 + H ARG 141 OK 24 100 - 24 - 4770/2.9=5, 4777=5...(8) HD3 LYS 36 + H ARG 141 OK 17 100 - 17 - 4770/2.9=4, 1.8/7837=3...(7) HB VAL 80 + H ARG 141 OK 15 96 - 16 - 4770/2.9=3, 4777=3...(7) HB3 LEU 72 - H ARG 141 lone 5 62 - 8 - 4.4/7832=1 HB2 MET 11 - H ARG 141 lone 3 92 - 3 - Peak 7842 from nnoeabs.peaks (1.89, 8.20, 121.17 ppm; 3.05 A): 2 out of 9 assignments used, quality = 0.96: * HB3 ARG 141 + H ARG 141 OK 84 100 - 84 - 4.0=43, 1.8/7841=19...(22) HB3 ARG 140 + H ARG 141 OK 77 99 - 77 - 4.7=28, 3.0/4711=16...(23) HB3 ARG 89 - H ARG 141 OK 22 77 - 29 - 1.8/7834=6, 4706/3.6=5...(10) HB3 LYS 93 - H ARG 141 OK 18 100 - 18 - 4771/2.9=3, 3.4/7844=2...(7) HB3 LYS 48 - H ARG 141 OK 13 72 - 18 - ~10502=3, 4771/2.9=2...(8) HB2 LYS 36 - H ARG 141 poor 7 62 - 11 - 3.6/7841=2, 4771/2.9=2...(5) HB3 GLN 111 - H ARG 141 lone 5 85 - 6 - 4706/3.6=2, 7825/3.2=1 HB ILE 101 - H ARG 141 lone 5 72 - 6 - 4706/3.6=1, 7825/3.2=1, ~9738=1 HB2 LYS 24 - H ARG 141 lone 4 77 - 6 - Peak 7843 from nnoeabs.peaks (1.61, 8.20, 121.17 ppm; 3.89 A): 2 out of 13 assignments used, quality = 0.97: * HG2 ARG 141 + H ARG 141 OK 95 100 - 95 - 4.9=49, 1.8/4804=22...(29) HB2 LEU 97 + H ARG 141 OK 47 100 - 47 - 3.0/7844=7, 9109/2.9=7...(17) HG2 ARG 144 - H ARG 141 OK 38 99 - 38 - 4795=8, 4796/2.9=5...(14) HG3 ARG 144 - H ARG 141 OK 32 85 - 37 - 1.8/4795=6, 4772/2.9=4...(13) HG3 LYS 48 - H ARG 141 OK 27 98 - 28 - 4772/2.9=4, 3.0/7844=3...(13) HG3 LYS 36 - H ARG 141 OK 18 72 - 25 - 2.9/7841=4, 2.9/7837=3...(10) HG3 ARG 49 - H ARG 141 OK 13 92 - 14 - 3.0/7837=3, 3.9/7833=2...(5) HG LEU 108 - H ARG 141 lone 9 100 - 9 - ~9259=3, ~9259=1, 4772/2.9=1 HB2 LEU 87 - H ARG 141 lone 4 89 - 4 - HB3 LEU 64 - H ARG 141 lone 2 85 - 3 - HD2 LYS 61 - H ARG 141 lone 2 72 - 3 - HD3 LYS 61 - H ARG 141 lone 2 72 - 3 - HB2 LEU 79 - H ARG 141 lone 2 81 - 3 - Peak 7844 from nnoeabs.peaks (1.68, 8.20, 121.17 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.93: * HG3 ARG 141 + H ARG 141 OK 88 100 - 88 - 4.9=35, 2.8/7841=18...(29) HG LEU 97 + H ARG 141 OK 41 100 - 41 - 4773/2.9=7, 4791/4.0=4...(15) HD2 LYS 93 - H ARG 141 OK 24 98 - 24 - 4773/2.9=4, 1.8/7836=3...(8) HD3 LYS 48 - H ARG 141 OK 19 85 - 22 - 4773/2.9=4, 1.8/7836=3...(12) HG LEU 26 - H ARG 141 lone 9 96 - 9 - 4791/4.0=2, 4773/2.9=2...(4) HB2 ARG 145 - H ARG 141 lone 3 68 - 4 - Peak 7845 from nnoeabs.peaks (3.20, 8.20, 121.17 ppm; 4.44 A): 3 out of 8 assignments used, quality = 1.00: * HD2 ARG 141 + H ARG 141 OK 95 100 - 95 - 6.0=40, 3.5/7841=22...(28) HD3 ARG 141 + H ARG 141 OK 94 99 - 95 - 6.0=40, 3.5/7841=22...(28) HD3 ARG 140 + H ARG 141 OK 60 68 - 89 - 3.4/7834=19, 2.9/4740=17...(27) HD3 ARG 144 - H ARG 141 OK 23 72 - 31 - 3.0/4795=6, 3.0/7843=4...(13) HA VAL 73 - H ARG 141 OK 13 77 - 17 - 3.0/7832=4, 2157/3.2=3...(5) HD3 ARG 124 - H ARG 141 OK 11 62 - 18 - 3.0/7836=2, 4709/3.6=2...(8) HD3 ARG 55 - H ARG 141 lone 5 62 - 8 - 4774/2.9=1 HG3 MET 46 - H ARG 141 lone 4 72 - 6 - ~10684=2 Peak 7846 from nnoeabs.peaks (3.21, 8.20, 121.17 ppm; 4.44 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 141 + H ARG 141 OK 95 100 - 95 - 6.0=40, 3.5/7841=22...(28) HD2 ARG 141 + H ARG 141 OK 94 99 - 95 - 6.0=40, 3.5/7841=22...(28) HD3 ARG 140 + H ARG 141 OK 76 85 - 90 - 3.4/7834=19, 2.9/4740=17...(27) HD3 ARG 124 - H ARG 141 OK 16 81 - 20 - 4709/3.6=3, 3.0/7836=2...(8) HG3 MET 46 - H ARG 141 lone 6 89 - 7 - ~10684=2 HB3 TYR 117 - H ARG 141 lone 2 77 - 3 - Peak 7847 from nnoeabs.peaks (8.19, 8.20, 121.17 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: H ARG 141 + H ARG 141 OK 89 89 - 100 Reference assignment not found: H GLU 142 - H ARG 141 Peak 7848 from nnoeabs.peaks (8.19, 8.19, 120.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 142 + H GLU 142 OK 100 100 - 100 Peak 7849 from nnoeabs.peaks (8.20, 8.19, 120.42 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: H GLU 142 + H GLU 142 OK 89 89 - 100 Reference assignment not found: H ARG 141 - H GLU 142 Peak 7850 from nnoeabs.peaks (4.24, 8.19, 120.42 ppm; 2.83 A): 3 out of 5 assignments used, quality = 0.94: HA GLU 142 + H GLU 142 OK 78 81 - 95 - 2.9=89, 3.0/7858=16...(15) * HA ARG 141 + H GLU 142 OK 71 100 - 71 - 3.6=50, 3.0/7851=9...(17) HB THR 92 + H GLU 142 OK 12 96 - 12 - 4839/4.0=1, 4846/4.0=1 HB THR 102 - H GLU 142 lone 2 98 - 2 - HA LYS 85 - H GLU 142 lone 1 68 - 1 - Peak 7851 from nnoeabs.peaks (1.82, 8.19, 120.42 ppm; 3.74 A): 4 out of 6 assignments used, quality = 0.92: * HB2 ARG 141 + H GLU 142 OK 86 100 - 86 - 4.4=60, 1.8/7852=21...(13) HB3 MET 68 + H GLU 142 OK 19 100 - 19 - 4770/3.6=6, 4788/4.4=4...(5) HB VAL 80 + H GLU 142 OK 18 96 - 18 - 2.1/9958=7, 4770/3.6=4...(5) HD3 LYS 36 + H GLU 142 OK 17 100 - 17 - 4770/3.6=4, 4788/4.4=3...(7) HB2 MET 11 - H GLU 142 lone 3 92 - 3 - HB3 LEU 72 - H GLU 142 lone 3 62 - 5 - 4.4/10509=2 Peak 7852 from nnoeabs.peaks (1.89, 8.19, 120.42 ppm; 3.49 A): 2 out of 9 assignments used, quality = 0.87: * HB3 ARG 141 + H GLU 142 OK 79 100 - 79 - 4.4=49, 1.8/7851=19...(13) HB3 ARG 140 + H GLU 142 OK 36 99 - 37 - 4771/3.6=7, 4.0/10509=7...(9) HB3 LYS 93 - H GLU 142 lone 10 100 - 10 - 4771/3.6=3, 3.4/7854=2...(4) HB2 LYS 36 - H GLU 142 poor 8 62 - 13 - 1.8/7859=3, 3.6/7851=2...(5) HB3 LYS 48 - H GLU 142 lone 6 72 - 9 - 4771/3.6=2, 3.6/7854=1...(4) HB3 ARG 89 - H GLU 142 lone 5 77 - 7 - 7835/4.6=2, 4771/3.6=1 HB3 GLN 111 - H GLU 142 lone 4 85 - 5 - 1.8/7858=1 HB2 LYS 24 - H GLU 142 lone 4 77 - 5 - 4.6/7862=1 HB ILE 101 - H GLU 142 lone 2 72 - 2 - Peak 7853 from nnoeabs.peaks (1.61, 8.19, 120.42 ppm; 5.16 A): 3 out of 13 assignments used, quality = 0.96: * HG2 ARG 141 + H GLU 142 OK 88 100 - 88 - 2.8/7851=27, 2.8/7852=24...(19) HB2 LEU 97 + H GLU 142 OK 49 100 - 49 - 9109/3.6=11, 3.0/7854=10...(15) HG2 ARG 144 + H GLU 142 OK 32 99 - 32 - 4796/3.6=6, 9753/4.6=6...(8) HG3 ARG 144 - H GLU 142 OK 24 85 - 28 - 9753/4.6=6, 4772/3.6=5...(7) HG3 LYS 48 - H GLU 142 OK 22 98 - 23 - 4772/3.6=5, 3.0/7854=3...(8) HG3 LYS 36 - H GLU 142 OK 19 72 - 26 - 2.9/7851=5, 701/4.4=4...(8) HG LEU 108 - H GLU 142 OK 13 100 - 13 - ~9259=4, ~9259=2...(4) HG3 ARG 49 - H GLU 142 lone 8 92 - 9 - 9753/4.6=3, 7843/4.6=1 HB2 LEU 87 - H GLU 142 lone 6 89 - 6 - ~10379=1 HB3 LEU 64 - H GLU 142 lone 5 85 - 5 - HB2 LEU 79 - H GLU 142 lone 3 81 - 3 - HD2 LYS 61 - H GLU 142 lone 2 72 - 3 - HD3 LYS 61 - H GLU 142 lone 2 72 - 3 - Peak 7854 from nnoeabs.peaks (1.68, 8.19, 120.42 ppm; 4.51 A): 5 out of 6 assignments used, quality = 0.94: * HG3 ARG 141 + H GLU 142 OK 84 100 - 84 - 2.8/7851=24, 4812=23...(18) HG LEU 97 + H GLU 142 OK 42 100 - 42 - 4773/3.6=9, 4791/4.4=6...(14) HD2 LYS 93 + H GLU 142 OK 18 98 - 18 - 4773/3.6=5, 7844/4.6=4...(5) HD3 LYS 48 + H GLU 142 OK 15 85 - 17 - 4773/3.6=5, 7844/4.6=3...(6) HG LEU 26 + H GLU 142 OK 11 96 - 11 - 4791/4.4=3, 4782/4.4=2...(4) HB2 ARG 145 - H GLU 142 lone 2 68 - 4 - 4.0/10509=1 Peak 7857 from nnoeabs.peaks (4.25, 8.19, 120.42 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.95: * HA GLU 142 + H GLU 142 OK 89 100 - 89 - 2.9=77, 3.0/7858=14...(15) HA ARG 141 + H GLU 142 OK 53 81 - 65 - 3.6=43, 3.0/7851=8...(13) HB THR 92 - H GLU 142 OK 10 98 - 10 - 4839/4.0=1, 4846/4.0=1 HA2 GLY 50 - H GLU 142 lone 1 68 - 2 - HA ALA 135 - H GLU 142 lone 1 72 - 1 - Peak 7858 from nnoeabs.peaks (1.98, 8.19, 120.42 ppm; 2.89 A): 2 out of 7 assignments used, quality = 0.83: * HB2 GLU 142 + H GLU 142 OK 81 100 - 81 - 4.0=37, 4833/2.9=16...(17) HB3 GLU 75 + H GLU 142 OK 12 92 - 14 - 4833/2.9=4, 4847/4.0=3...(5) HB3 ARG 124 - H GLU 142 lone 6 85 - 7 - ~10379=2, 4833/2.9=2 QE MET 113 - H GLU 142 lone 5 92 - 5 - 4833/2.9=1 QE MET 59 - H GLU 142 lone 3 98 - 4 - 10400/3.6=2 HB2 GLN 111 - H GLU 142 lone 3 72 - 4 - 4833/2.9=1 HB VAL 63 - H GLU 142 lone 2 96 - 2 - Peak 7859 from nnoeabs.peaks (2.10, 8.19, 120.42 ppm; 3.20 A): 3 out of 8 assignments used, quality = 0.95: * HB3 GLU 142 + H GLU 142 OK 90 100 - 90 - 4.0=50, 1.8/7858=28...(16) HB2 GLU 131 + H GLU 142 OK 43 85 - 51 - 4440=11, 1.8/4447=8...(16) HB3 LYS 36 + H GLU 142 OK 13 96 - 13 - 679/4.4=3, 3.6/7851=2...(6) HG2 PRO 33 - H GLU 142 lone 10 100 - 10 - 4834/2.9=2, 4841/4.0=1 HG3 PRO 33 - H GLU 142 lone 8 92 - 9 - 4834/2.9=2, 4841/4.0=1 HB3 GLN 25 - H GLU 142 lone 5 100 - 5 - 4.0/7862=1, 4834/2.9=1 HG2 PRO 118 - H GLU 142 lone 3 85 - 3 - HB VAL 53 - H GLU 142 lone 3 100 - 2 - Peak 7860 from nnoeabs.peaks (2.32, 8.19, 120.42 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.89: * HG2 GLU 142 + H GLU 142 OK 86 100 - 86 - 5.0=30, 4835/2.9=27...(16) HG3 GLU 120 + H GLU 142 OK 22 94 - 23 - 4835/2.9=7, 4842/4.0=5...(7) HB3 GLN 47 - H GLU 142 lone 6 77 - 8 - 4835/2.9=2, 4.0/10509=1...(4) Peak 7861 from nnoeabs.peaks (2.27, 8.19, 120.42 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.95: * HG3 GLU 142 + H GLU 142 OK 89 100 - 89 - 5.0=32, 1.8/7860=27...(19) HG2 GLU 131 + H GLU 142 OK 53 100 - 53 - 1.8/4461=11, 2.9/4440=9...(13) HG3 PRO 129 - H GLU 142 OK 14 81 - 17 - 4836/2.9=3, 7869/4.6=3...(7) HB3 MET 113 - H GLU 142 OK 11 100 - 11 - 3704/4.0=2, 4836/2.9=2 HG3 GLU 75 - H GLU 142 poor 9 62 - 14 - 3.0/7858=3, 4836/2.9=2...(6) HG2 GLU 90 - H GLU 142 lone 4 100 - 3 - HG2 GLN 62 - H GLU 142 lone 2 68 - 3 - HG3 GLU 81 - H GLU 142 lone 1 72 - 2 - Peak 7862 from nnoeabs.peaks (8.27, 8.19, 120.42 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.84: * H GLY 143 + H GLU 142 OK 82 100 - 82 - 4.6=48, 7865/2.9=24...(11) H ASP 32 + H GLU 142 OK 12 92 - 13 - 4837/2.9=4, 4844/4.0=3...(5) H GLN 25 - H GLU 142 lone 9 98 - 9 - 4837/2.9=2, 4851/4.0=2 H ALA 105 - H GLU 142 lone 6 68 - 9 - 4.6/10509=4, 4837/2.9=2 H LEU 39 - H GLU 142 lone 4 100 - 4 - 4837/2.9=1 Peak 7863 from nnoeabs.peaks (8.27, 8.27, 109.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 143 + H GLY 143 OK 100 100 - 100 Peak 7864 from nnoeabs.peaks (8.19, 8.27, 109.14 ppm; 3.52 A): 3 out of 3 assignments used, quality = 0.89: * H GLU 142 + H GLY 143 OK 79 100 - 79 - 4.6=45, 2.9/7865=23...(10) H ARG 141 + H GLY 143 OK 34 89 - 38 - 4.6/7862=12, 2.9/7865=7...(11) H GLU 131 + H GLY 143 OK 19 92 - 21 - 4845/4.7=4, 4831/3.6=4...(7) Peak 7865 from nnoeabs.peaks (4.25, 8.27, 109.14 ppm; 2.91 A): 2 out of 5 assignments used, quality = 0.83: * HA GLU 142 + H GLY 143 OK 78 100 - 78 - 3.6=54, 2.9/7862=13...(9) HA ARG 141 + H GLY 143 OK 22 81 - 28 - 3.6/7862=11, 2.9/7864=5...(9) HB THR 92 - H GLY 143 lone 7 98 - 7 - 4839/4.7=1, 4846/4.7=1 HA2 GLY 50 - H GLY 143 lone 2 68 - 4 - 10518/3.0=2 HA ALA 135 - H GLY 143 lone 1 72 - 2 - Peak 7866 from nnoeabs.peaks (1.98, 8.27, 109.14 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.93: * HB2 GLU 142 + H GLY 143 OK 90 100 - 90 - 4.7=61, 3.0/7865=27...(10) HB3 GLU 75 + H GLY 143 OK 26 92 - 29 - 4833/3.6=6, 4854/4.9=5...(9) QE MET 113 - H GLY 143 lone 8 92 - 8 - 4833/3.6=1, 4861/4.9=1...(6) HB3 ARG 124 - H GLY 143 lone 7 85 - 8 - 4833/3.6=2, 4847/4.7=1...(4) HB2 GLN 111 - H GLY 143 lone 4 72 - 6 - 4833/3.6=1, 4854/4.9=1 QE MET 59 - H GLY 143 lone 4 98 - 4 - HB VAL 63 - H GLY 143 lone 3 96 - 3 - Peak 7867 from nnoeabs.peaks (2.10, 8.27, 109.14 ppm; 4.01 A): 2 out of 8 assignments used, quality = 0.94: * HB3 GLU 142 + H GLY 143 OK 92 100 - 92 - 4.7=64, 3.0/7865=28...(10) HB2 GLU 131 + H GLY 143 OK 28 85 - 33 - 4834/3.6=7, 4440/4.6=6...(8) HB3 LYS 36 - H GLY 143 OK 19 96 - 19 - 3.0/658=3, 11639/3.0=2...(10) HG2 PRO 33 - H GLY 143 OK 15 100 - 15 - 4834/3.6=2, 2.3/8084=2...(8) HB3 GLN 25 - H GLY 143 OK 14 100 - 14 - 1.8/10927=3, 10928=2...(5) HG3 PRO 33 - H GLY 143 OK 13 92 - 14 - 4834/3.6=2, 2.3/8084=2...(8) HB VAL 53 - H GLY 143 lone 3 100 - 3 - HG2 PRO 118 - H GLY 143 lone 3 85 - 3 - Peak 7868 from nnoeabs.peaks (2.32, 8.27, 109.14 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.98: * HG2 GLU 142 + H GLY 143 OK 98 100 - 98 - 4.9=91, 4835/3.6=39...(8) HG3 GLU 120 - H GLY 143 OK 33 94 - 35 - 4835/3.6=10, 4842/4.7=8...(6) HB3 GLN 47 - H GLY 143 poor 9 77 - 10 - 4835/3.6=2, 4842/4.7=2...(5) Peak 7869 from nnoeabs.peaks (2.27, 8.27, 109.14 ppm; 4.91 A): 3 out of 8 assignments used, quality = 1.00: * HG3 GLU 142 + H GLY 143 OK 100 100 - 100 - 4.9=98, 1.8/7868=29...(7) HG3 PRO 129 + H GLY 143 OK 67 81 - 82 - 2.3/7870=10, ~4396=10...(28) HG2 GLU 131 + H GLY 143 OK 48 100 - 48 - 4836/3.6=11, 7861/4.6=10...(9) HG3 GLU 75 - H GLY 143 OK 17 62 - 28 - 3.0/7866=8, 3.9/7871=4...(11) HB3 MET 113 - H GLY 143 OK 16 100 - 16 - 3704/4.7=4, 4836/3.6=3...(6) HG2 GLU 90 - H GLY 143 lone 5 100 - 5 - HG2 GLN 62 - H GLY 143 lone 3 68 - 4 - HG3 GLU 81 - H GLY 143 lone 2 72 - 3 - Peak 7870 from nnoeabs.peaks (3.93, 8.27, 109.14 ppm; 2.75 A): 3 out of 5 assignments used, quality = 0.95: * HA2 GLY 143 + H GLY 143 OK 90 100 - 90 - 3.0=81, 1.8/7871=28...(6) HD3 PRO 129 + H GLY 143 OK 30 89 - 34 - 4364/3.0=5, 4871/3.0=4...(18) HD2 PRO 129 + H GLY 143 OK 27 81 - 33 - 4871/3.0=5, ~4364=3...(18) HA LYS 86 - H GLY 143 lone 3 100 - 3 - HA LEU 29 - H GLY 143 lone 2 92 - 2 - Peak 7871 from nnoeabs.peaks (3.97, 8.27, 109.14 ppm; 2.85 A): 1 out of 5 assignments used, quality = 0.94: * HA3 GLY 143 + H GLY 143 OK 94 100 - 94 - 3.0=90, 1.8/7870=20...(5) HA GLU 75 - H GLY 143 lone 9 98 - 9 - 3.0/7866=3, 2204/4.7=2 HB3 SER 103 - H GLY 143 lone 1 85 - 1 - HA PHE 106 - H GLY 143 lone 1 68 - 1 - HB3 SER 127 - H GLY 143 lone 1 62 - 1 - Peak 7872 from nnoeabs.peaks (8.03, 8.27, 109.14 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.84: * H ARG 144 + H GLY 143 OK 81 100 - 81 - 4.6=53, 3.5/7871=27...(8) H ILE 58 + H GLY 143 OK 16 99 - 16 - 7874=7, 4869/3.0=4, 4873/3.0=4 H GLN 133 - H GLY 143 lone 3 72 - 4 - 7675/4.6=2 Peak 7873 from nnoeabs.peaks (8.03, 8.03, 120.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ARG 144 + H ARG 144 OK 100 100 - 100 H ILE 58 + H ILE 58 OK 87 87 - 100 Peak 7874 from nnoeabs.peaks (8.27, 8.03, 120.80 ppm; 3.50 A): 2 out of 10 assignments used, quality = 0.78: * H GLY 143 + H ARG 144 OK 75 100 - 75 - 4.6=45, 7871/3.5=24...(8) H GLY 143 + H ILE 58 OK 14 90 - 15 - 7872=7, 3.0/4869=4, 3.0/4873=4 H LEU 39 - H ARG 144 lone 3 100 - 3 - 4870/3.5=1, 4866/3.5=1 H ASP 32 - H ILE 58 lone 2 78 - 3 - 10811/3.6=2 H GLN 25 - H ARG 144 lone 2 98 - 2 - H ALA 105 - H ARG 144 lone 2 68 - 2 - H GLN 25 - H ILE 58 lone 2 86 - 2 - H ASP 32 - H ARG 144 lone 1 92 - 1 - H ALA 105 - H ILE 58 lone 1 55 - 2 - H LEU 39 - H ILE 58 lone 1 89 - 1 - Peak 7875 from nnoeabs.peaks (3.93, 8.03, 120.80 ppm; 3.12 A): 4 out of 10 assignments used, quality = 0.90: * HA2 GLY 143 + H ARG 144 OK 86 100 - 86 - 3.5=68, 1.8/7876=25...(8) HA2 GLY 143 + H ILE 58 OK 14 90 - 15 - 4869=5, 1.8/4873=4...(4) HD3 PRO 129 + H ARG 144 OK 13 89 - 14 - 4364/3.5=5, 4871/3.5=4...(4) HD2 PRO 129 + H ARG 144 OK 10 81 - 13 - 4871/3.5=5, 4357/3.5=3...(4) HA LYS 86 - H ILE 58 lone 6 90 - 7 - 2673/3.9=3, 2676/3.9=1, ~10049=1 HA LYS 86 - H ARG 144 lone 3 100 - 3 - HD3 PRO 129 - H ILE 58 lone 2 75 - 3 - HD2 PRO 129 - H ILE 58 lone 2 68 - 3 - HA LEU 29 - H ARG 144 lone 1 92 - 1 - HA LEU 29 - H ILE 58 lone 0 78 - 1 - Peak 7876 from nnoeabs.peaks (3.97, 8.03, 120.80 ppm; 3.25 A): 2 out of 10 assignments used, quality = 0.91: * HA3 GLY 143 + H ARG 144 OK 89 100 - 89 - 3.5=76, 1.8/7875=23...(10) HA3 GLY 143 + H ILE 58 OK 13 90 - 15 - 1.8/4869=5, 4873=5...(4) HA GLU 75 - H ARG 144 lone 5 98 - 5 - 10384/3.0=3, 7871/4.6=1 HA GLU 75 - H ILE 58 lone 3 86 - 3 - 2205/3.9=2 HB3 SER 127 - H ARG 144 lone 1 62 - 2 - 10384/3.0=2 HB3 SER 103 - H ARG 144 lone 1 85 - 1 - HA PHE 106 - H ARG 144 lone 1 68 - 1 - HB3 SER 103 - H ILE 58 lone 1 71 - 1 - HA PHE 106 - H ILE 58 lone 0 55 - 1 - HB3 SER 127 - H ILE 58 lone 0 51 - 1 - Peak 7877 from nnoeabs.peaks (4.36, 8.03, 120.80 ppm; 2.96 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 144 + H ARG 144 OK 100 100 - 100 - 3.0=100 HA ARG 144 - H ILE 58 OK 33 90 - 37 - 4874=12, 3.0/4883=6...(7) HB THR 51 - H ARG 144 OK 18 100 - 18 - 4893/4.0=3, 4884/4.0=3...(8) HA ASP 65 - H ARG 144 OK 10 94 - 11 - 8385/4.0=2, 4884/4.0=2 HA3 GLY 77 - H ARG 144 lone 9 94 - 10 - 4893/4.0=2, ~2341=2...(4) HB THR 51 - H ILE 58 lone 3 89 - 4 - HA ASP 65 - H ILE 58 lone 2 81 - 2 - HA ASN 96 - H ARG 144 lone 2 62 - 3 - HA3 GLY 77 - H ILE 58 lone 1 81 - 2 - HA ASN 96 - H ILE 58 lone 0 51 - 1 - Peak 7878 from nnoeabs.peaks (1.87, 8.03, 120.80 ppm; 3.27 A): 2 out of 16 assignments used, quality = 0.95: * HB2 ARG 144 + H ARG 144 OK 91 100 - 91 - 4.0=53, 3.0/4874=24...(20) HB2 ARG 144 + H ILE 58 OK 42 90 - 46 - 4883=15, 1.8/4892=11...(10) HB3 LYS 48 - H ARG 144 OK 24 100 - 24 - 4876/3.0=5, 4894/4.0=4...(9) HB2 LYS 48 - H ARG 144 OK 24 100 - 24 - 4876/3.0=5, 4894/4.0=4...(9) HB2 LYS 36 - H ARG 144 OK 18 100 - 18 - 4876/3.0=4, 4894/4.0=3...(8) HB3 LYS 85 - H ILE 58 lone 7 71 - 10 - 2595/3.9=3, 1.8/6528=3...(4) HB3 LYS 85 - H ARG 144 lone 6 85 - 6 - 4876/3.0=1, 1.8/6528=1 HB2 LYS 36 - H ILE 58 lone 6 90 - 6 - 10790/3.6=2 HB3 LYS 48 - H ILE 58 lone 4 89 - 5 - HB2 LYS 48 - H ILE 58 lone 4 89 - 5 - HB3 LYS 76 - H ARG 144 lone 1 68 - 2 - HG LEU 69 - H ARG 144 lone 1 77 - 1 - HB3 LYS 76 - H ILE 58 lone 0 55 - 1 - HB3 GLU 28 - H ARG 144 lone 0 62 - 1 - HG LEU 69 - H ILE 58 lone 0 64 - 1 - HB3 GLU 28 - H ILE 58 lone 0 51 - 0 - Peak 7879 from nnoeabs.peaks (1.73, 8.03, 120.80 ppm; 2.92 A): 7 out of 18 assignments used, quality = 0.94: * HB3 ARG 144 + H ARG 144 OK 83 100 - 83 - 4.0=37, 3.0/4874=20...(19) HB3 ARG 144 + H ILE 58 OK 35 90 - 39 - 4892=10, 1.8/4883=9...(10) HB2 ARG 49 + H ARG 144 OK 15 81 - 18 - 3.0/8200=4, 4877/3.0=2...(7) HD2 LYS 36 + H ARG 144 OK 15 100 - 15 - 10792/3.0=4, 4886/4.0=3...(6) HB3 GLU 81 + H ARG 144 OK 14 100 - 14 - 4877/3.0=2, 4886/4.0=2...(6) HB2 GLU 81 + H ARG 144 OK 12 89 - 14 - 4877/3.0=2, 4886/4.0=1...(8) HB2 ARG 49 + H ILE 58 OK 11 68 - 16 - ~10418=5, 3.0/8200=2...(6) HB3 GLU 81 - H ILE 58 lone 6 89 - 7 - 1563/4.0=1 HB3 ARG 109 - H ILE 58 lone 6 78 - 7 - 11117/4.5=2, 11117/4.5=1 HB3 ARG 109 - H ARG 144 lone 5 92 - 6 - 7889/4.6=2, 11637/3.5=1 HB2 GLU 81 - H ILE 58 lone 5 75 - 6 - HD2 LYS 36 - H ILE 58 lone 4 89 - 4 - HG LEU 66 - H ILE 58 lone 4 83 - 5 - 1903/4.0=2 HG3 ARG 140 - H ARG 144 lone 3 85 - 3 - HG LEU 66 - H ARG 144 lone 2 96 - 2 - HG3 ARG 89 - H ARG 144 lone 2 98 - 2 - HG3 ARG 140 - H ILE 58 lone 2 71 - 3 - HG3 ARG 89 - H ILE 58 lone 2 86 - 2 - Peak 7880 from nnoeabs.peaks (1.60, 8.03, 120.80 ppm; 3.07 A): 3 out of 26 assignments used, quality = 0.95: * HG2 ARG 144 + H ARG 144 OK 84 100 - 84 - 4.9=24, 1.8/4910=20...(28) HG3 ARG 144 + H ARG 144 OK 56 68 - 82 - 4.9=24, 1.8/4901=18...(28) HG2 ARG 144 + H ILE 58 OK 33 90 - 36 - 4901=9, 1.8/4910=8...(10) HG3 LYS 48 - H ARG 144 OK 19 100 - 19 - 4879/3.0=3, 2.9/7878=2...(10) HG3 ARG 144 - H ILE 58 OK 18 55 - 33 - 3.0/4883=7, 1.8/4901=7...(9) HG2 ARG 141 - H ARG 144 OK 17 99 - 18 - 4901=5, 4902/3.0=3...(7) HG3 LYS 36 - H ARG 144 OK 17 89 - 19 - 4878/3.0=3, 4887/4.0=2...(9) HG3 ARG 49 - H ARG 144 OK 13 77 - 17 - 3.9/8200=4, 3.0/8202=2...(7) HG3 ARG 49 - H ILE 58 poor 9 64 - 14 - ~10418=4, 3.9/8200=2...(5) HB2 LEU 87 - H ILE 58 lone 5 59 - 8 - 9863/4.0=3, ~1549=1, 2780/4.5=1 HB2 LEU 97 - H ARG 144 lone 5 100 - 5 - HD3 LYS 61 - H ILE 58 lone 4 75 - 5 - 9824/4.0=3 HD2 LYS 61 - H ILE 58 lone 4 75 - 5 - 9824/4.0=3 HG3 LYS 48 - H ILE 58 lone 4 90 - 4 - HG2 ARG 141 - H ILE 58 lone 3 87 - 4 - HB2 LEU 97 - H ILE 58 lone 3 89 - 3 - 9863/4.0=2 HG3 LYS 36 - H ILE 58 lone 3 75 - 4 - HG LEU 108 - H ARG 144 lone 3 98 - 3 - HB2 LEU 79 - H ARG 144 lone 3 94 - 3 - 11636/3.5=1 HB2 LEU 87 - H ARG 144 lone 2 72 - 3 - HG LEU 108 - H ILE 58 lone 2 86 - 2 - HB3 LEU 64 - H ILE 58 lone 1 55 - 2 - ~8270=1 HD2 LYS 61 - H ARG 144 lone 1 89 - 1 - HD3 LYS 61 - H ARG 144 lone 1 89 - 1 - HB3 LEU 64 - H ARG 144 lone 1 68 - 2 - HB2 LEU 79 - H ILE 58 lone 1 81 - 1 - Peak 7881 from nnoeabs.peaks (1.62, 8.03, 120.80 ppm; 3.07 A): 3 out of 22 assignments used, quality = 0.95: * HG3 ARG 144 + H ARG 144 OK 83 100 - 83 - 4.9=24, 1.8/4901=18...(28) HG2 ARG 144 + H ARG 144 OK 56 68 - 84 - 4.9=24, 1.8/4910=20...(29) HG3 ARG 144 + H ILE 58 OK 33 90 - 37 - 4910=10, 3.0/4883=7...(11) HG3 ARG 49 - H ARG 144 OK 20 100 - 20 - 3.9/8200=4, 4879/3.0=3...(9) HG2 ARG 144 - H ILE 58 OK 18 55 - 33 - 1.8/4910=8, 3.0/4883=7...(10) HG3 ARG 49 - H ILE 58 OK 14 89 - 15 - ~10418=4, 3.9/8200=2...(6) HG2 ARG 141 - H ARG 144 OK 11 85 - 13 - 4901=2, 4878/3.0=2...(5) HG3 LYS 48 - H ARG 144 poor 10 62 - 16 - 2.9/7878=2, 2.9/7878=2...(7) HB2 LEU 87 - H ILE 58 lone 8 90 - 9 - 9863/4.0=3, 2780/4.5=2...(4) HB2 LEU 87 - H ARG 144 lone 4 100 - 4 - HB2 LEU 97 - H ARG 144 lone 3 81 - 4 - HB2 LEU 97 - H ILE 58 lone 2 68 - 4 - 9863/4.0=2 HB3 LEU 64 - H ILE 58 lone 2 90 - 3 - ~8270=1 HG LEU 108 - H ARG 144 lone 2 89 - 3 - HB3 LEU 64 - H ARG 144 lone 2 100 - 2 - HG2 ARG 141 - H ILE 58 lone 2 71 - 3 - HG LEU 108 - H ILE 58 lone 2 75 - 2 - HG3 LYS 48 - H ILE 58 lone 2 51 - 3 - HG3 LYS 34 - H ARG 144 lone 1 77 - 1 - HD2 LYS 24 - H ARG 144 lone 1 77 - 1 - HD2 LYS 24 - H ILE 58 lone 0 64 - 1 - HG3 LYS 34 - H ILE 58 lone 0 64 - 0 - Peak 7882 from nnoeabs.peaks (3.18, 8.03, 120.80 ppm; 4.48 A): 2 out of 10 assignments used, quality = 1.00: * HD2 ARG 144 + H ARG 144 OK 97 100 - 97 - 6.1=39, 3.0/4910=28...(23) HD3 ARG 144 + H ARG 144 OK 95 98 - 97 - 6.1=39, 3.0/4910=28...(23) HD2 ARG 55 - H ARG 144 OK 39 100 - 39 - 4880/3.0=6, 4898/4.0=6...(13) HD2 ARG 144 - H ILE 58 OK 38 90 - 43 - 3.0/4910=12, 4.0/4892=11...(6) HD3 ARG 144 - H ILE 58 OK 36 86 - 43 - 3.0/4910=12, 4.0/4892=11...(6) HD3 ARG 55 - H ARG 144 OK 33 100 - 33 - 4880/3.0=5, 4898/4.0=5...(11) HA VAL 73 - H ARG 144 OK 14 96 - 14 - 3.0/7884=2, 4880/3.0=2...(7) HD2 ARG 55 - H ILE 58 lone 5 89 - 5 - 4898/4892=1, 4889/4883=1 HD3 ARG 55 - H ILE 58 lone 4 89 - 5 - HA VAL 73 - H ILE 58 lone 4 83 - 5 - 8583/4509=2 Peak 7883 from nnoeabs.peaks (3.19, 8.03, 120.80 ppm; 4.48 A): 2 out of 12 assignments used, quality = 1.00: * HD3 ARG 144 + H ARG 144 OK 97 100 - 97 - 6.1=39, 3.0/4910=28...(23) HD2 ARG 144 + H ARG 144 OK 95 98 - 97 - 6.1=39, 3.0/4910=28...(23) HD3 ARG 144 - H ILE 58 OK 38 90 - 42 - 3.0/4910=12, 4.0/4892=11...(6) HD2 ARG 144 - H ILE 58 OK 36 86 - 43 - 3.0/4910=12, 4.0/4892=11...(6) HD2 ARG 55 - H ARG 144 OK 35 92 - 39 - 4880/3.0=6, 4898/4.0=6...(13) HD3 ARG 55 - H ARG 144 OK 33 100 - 33 - 4880/3.0=5, 4898/4.0=5...(11) HD2 ARG 141 - H ARG 144 OK 18 72 - 25 - 3.0/4901=5, 4899/4.0=3...(12) HA VAL 73 - H ARG 144 OK 14 100 - 14 - 3.0/7884=2, 4881/3.0=2...(7) HA VAL 73 - H ILE 58 lone 5 90 - 5 - 8583/4509=2 HD3 ARG 55 - H ILE 58 lone 4 89 - 5 - HD2 ARG 55 - H ILE 58 lone 4 78 - 5 - 4898/4892=1, 4889/4883=1 HD2 ARG 141 - H ILE 58 lone 2 59 - 4 - 3.0/4901=1 Peak 7884 from nnoeabs.peaks (8.01, 8.03, 120.80 ppm; 2.50 A): 3 out of 10 assignments used, quality = 0.73: * H ARG 145 + H ARG 144 OK 58 100 - 58 - 7886=35, 7887/3.0=15...(8) H ARG 145 + H ILE 58 OK 24 90 - 27 - 7886=15, 10586/3.9=4...(5) H THR 51 + H ARG 144 OK 16 96 - 16 - 4882/3.0=4, 8207/3.5=2...(6) H VAL 73 - H ARG 144 lone 5 81 - 6 - 4882/3.0=2, 4891/4.0=1 H THR 51 - H ILE 58 lone 3 83 - 4 - H ALA 104 - H ARG 144 lone 3 89 - 3 - H ARG 140 - H ARG 144 lone 2 68 - 3 - H ALA 104 - H ILE 58 lone 2 75 - 2 - H VAL 73 - H ILE 58 lone 1 68 - 1 - H ARG 140 - H ILE 58 lone 1 55 - 1 - Peak 7885 from nnoeabs.peaks (8.01, 8.01, 127.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 145 + H ARG 145 OK 100 100 - 100 Peak 7886 from nnoeabs.peaks (8.03, 8.01, 127.41 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.63: * H ARG 144 + H ARG 145 OK 52 100 - 52 - 7884=25, 3.0/7887=15...(8) H ILE 58 + H ARG 145 OK 22 99 - 23 - 7884=10, 3.9/10586=4...(5) H GLN 133 - H ARG 145 lone 0 72 - 1 - Peak 7887 from nnoeabs.peaks (4.36, 8.01, 127.41 ppm; 2.50 A): 2 out of 5 assignments used, quality = 0.66: * HA ARG 144 + H ARG 145 OK 62 100 - 62 - 3.6=34, 3.0/7886=13...(9) HB THR 51 + H ARG 145 OK 10 100 - 10 - 2.1/1317=3, 4893/4.3=2...(4) HA ASP 65 - H ARG 145 lone 4 94 - 4 - 8385/4.3=1 HA3 GLY 77 - H ARG 145 lone 3 94 - 3 - HA ASN 96 - H ARG 145 lone 1 62 - 2 - Peak 7888 from nnoeabs.peaks (1.87, 8.01, 127.41 ppm; 2.89 A): 4 out of 8 assignments used, quality = 0.80: * HB2 ARG 144 + H ARG 145 OK 70 100 - 70 - 4.3=31, 3.0/7887=20...(11) HB2 LYS 48 + H ARG 145 OK 15 100 - 15 - 4876/3.6=3, 2.9/7890=3...(7) HB3 LYS 48 + H ARG 145 OK 15 100 - 15 - 4876/3.6=3, 2.9/7890=3...(7) HB2 LYS 36 + H ARG 145 OK 10 100 - 10 - 4876/3.6=3, 4894/4.3=2...(4) HB3 LYS 85 - H ARG 145 lone 4 85 - 5 - HG LEU 69 - H ARG 145 lone 1 77 - 1 - HB3 LYS 76 - H ARG 145 lone 1 68 - 1 - HB3 GLU 28 - H ARG 145 lone 0 62 - 0 - Peak 7889 from nnoeabs.peaks (1.73, 8.01, 127.41 ppm; 3.40 A): 4 out of 9 assignments used, quality = 0.93: * HB3 ARG 144 + H ARG 145 OK 86 100 - 86 - 4.3=50, 3.0/7887=27...(11) HB3 ARG 109 + H ARG 145 OK 29 92 - 31 - 2.8/7897=4, 2.8/7898=4...(15) HD2 LYS 36 + H ARG 145 OK 17 100 - 17 - 10792/3.6=5, 4886/4.3=3...(5) HB2 ARG 49 + H ARG 145 OK 15 81 - 18 - 3.7/8199=3, 4877/3.6=2...(7) HB3 GLU 81 - H ARG 145 lone 8 100 - 8 - 4877/3.6=3, 4886/4.3=2 HB2 GLU 81 - H ARG 145 lone 7 89 - 7 - 4877/3.6=2, 4886/4.3=2 HG3 ARG 140 - H ARG 145 lone 6 85 - 7 - HG3 ARG 89 - H ARG 145 lone 6 98 - 6 - 1.8/7895=1 HG LEU 66 - H ARG 145 lone 5 96 - 5 - Peak 7890 from nnoeabs.peaks (1.60, 8.01, 127.41 ppm; 3.19 A): 5 out of 13 assignments used, quality = 0.86: * HG2 ARG 144 + H ARG 145 OK 61 100 - 61 - 3.0/7888=17, 3.9/7887=17...(8) HG3 ARG 144 + H ARG 145 OK 39 68 - 58 - 3.0/7888=17, 3.9/7887=17...(8) HG3 LYS 48 + H ARG 145 OK 21 100 - 21 - 2.9/7888=4, 2.9/7888=4...(8) HG2 ARG 141 + H ARG 145 OK 17 99 - 17 - 4909=3, 4902/3.6=3...(6) HG3 LYS 36 + H ARG 145 OK 12 89 - 14 - 4878/3.6=2, 3.0/7888=2...(5) HG3 ARG 49 - H ARG 145 poor 8 77 - 10 - 3.0/8201=2, 5.0/8199=2...(5) HB2 LEU 97 - H ARG 145 lone 4 100 - 4 - HB2 LEU 79 - H ARG 145 lone 3 94 - 3 - HG LEU 108 - H ARG 145 lone 2 98 - 2 - HB2 LEU 87 - H ARG 145 lone 2 72 - 3 - HB3 LEU 64 - H ARG 145 lone 1 68 - 2 - HD2 LYS 61 - H ARG 145 lone 1 89 - 1 - HD3 LYS 61 - H ARG 145 lone 1 89 - 1 - Peak 7891 from nnoeabs.peaks (1.62, 8.01, 127.41 ppm; 3.21 A): 5 out of 11 assignments used, quality = 0.84: * HG3 ARG 144 + H ARG 145 OK 62 100 - 62 - 3.9/7887=17, 3.0/7888=17...(9) HG2 ARG 144 + H ARG 145 OK 40 68 - 59 - 3.9/7887=17, 3.0/7888=17...(8) HG3 ARG 49 + H ARG 145 OK 13 100 - 13 - 3.0/8201=2, 4879/3.6=2...(6) HG3 LYS 48 + H ARG 145 OK 12 62 - 19 - 2.9/7888=4, 2.9/7888=4...(8) HG2 ARG 141 + H ARG 145 OK 11 85 - 12 - 4909=2, 4887/4.3=1...(5) HB2 LEU 87 - H ARG 145 lone 3 100 - 3 - HG3 LYS 34 - H ARG 145 lone 3 77 - 4 - 2.9/7896=1, 2.9/7896=1 HB3 LEU 64 - H ARG 145 lone 3 100 - 3 - HB2 LEU 97 - H ARG 145 lone 2 81 - 3 - HG LEU 108 - H ARG 145 lone 2 89 - 2 - HD2 LYS 24 - H ARG 145 lone 1 77 - 2 - Peak 7892 from nnoeabs.peaks (3.18, 8.01, 127.41 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.97: * HD2 ARG 144 + H ARG 145 OK 79 100 - 79 - 5.2/7887=25, 4.0/7888=24...(8) HD3 ARG 144 + H ARG 145 OK 77 98 - 79 - 5.2/7887=25, 4.0/7888=24...(8) HD2 ARG 55 + H ARG 145 OK 40 100 - 41 - 10388/3.0=7, 4880/3.6=6...(11) HD3 ARG 55 - H ARG 145 OK 37 100 - 38 - 4880/3.6=5, 4898/4.3=5...(11) HA VAL 73 - H ARG 145 OK 23 96 - 24 - 10388/3.0=4, 2157=3...(12) Peak 7893 from nnoeabs.peaks (3.19, 8.01, 127.41 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.95: * HD3 ARG 144 + H ARG 145 OK 79 100 - 79 - 5.2/7887=25, 4.0/7888=24...(8) HD2 ARG 144 + H ARG 145 OK 77 98 - 79 - 5.2/7887=25, 4.0/7888=24...(8) HD3 ARG 55 - H ARG 145 OK 38 100 - 38 - 10388/3.0=5, 4880/3.6=5...(11) HD2 ARG 55 - H ARG 145 OK 37 92 - 40 - 10388/3.0=7, 4880/3.6=6...(11) HA VAL 73 - H ARG 145 OK 25 100 - 25 - 10388/3.0=5, 2157=3...(11) HD2 ARG 141 - H ARG 145 OK 18 72 - 24 - 3.0/7890=4, 4899/4.3=3...(9) Peak 7894 from nnoeabs.peaks (4.13, 8.01, 127.41 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 145 + H ARG 145 OK 100 100 - 100 - 3.0=100 Peak 7895 from nnoeabs.peaks (1.67, 8.01, 127.41 ppm; 2.78 A): 2 out of 13 assignments used, quality = 0.78: * HB2 ARG 145 + H ARG 145 OK 73 100 - 73 - 4.0=33, 1.8/7896=16...(25) HG2 ARG 124 + H ARG 145 OK 20 96 - 21 - 4939/3.0=4, 4955/4.0=3...(7) HD2 LYS 48 - H ARG 145 lone 10 100 - 10 - 3.0/7890=2, 3.6/7888=2 HD3 LYS 48 - H ARG 145 lone 9 99 - 9 - 3.0/7890=2, 3.6/7888=2 HB VAL 71 - H ARG 145 lone 6 100 - 6 - 4939/3.0=1, 2.1/9905=1 HG3 ARG 141 - H ARG 145 lone 4 68 - 6 - 1.8/7890=3 HG2 ARG 89 - H ARG 145 lone 3 100 - 3 - HG2 ARG 140 - H ARG 145 lone 3 68 - 4 - HB2 LEU 95 - H ARG 145 lone 2 100 - 2 - HD2 LYS 93 - H ARG 145 lone 2 89 - 2 - HG13 ILE 136 - H ARG 145 lone 2 62 - 3 - HB2 MET 68 - H ARG 145 lone 2 94 - 2 - HG LEU 97 - H ARG 145 lone 1 62 - 1 - Peak 7896 from nnoeabs.peaks (1.79, 8.01, 127.41 ppm; 3.20 A): 3 out of 9 assignments used, quality = 0.91: * HB3 ARG 145 + H ARG 145 OK 87 100 - 87 - 4.0=50, 1.8/4945=27...(24) HB2 ARG 124 + H ARG 145 OK 20 85 - 24 - 4940/3.0=4, 3.0/7895=4...(8) HG2 PRO 57 + H ARG 145 OK 14 92 - 15 - 2.3/10586=9, 4940/3.0=3 HG LEU 72 - H ARG 145 lone 8 94 - 8 - 4940/3.0=1 HD2 LYS 34 - H ARG 145 lone 7 100 - 7 - 4940/3.0=1 HD3 LYS 34 - H ARG 145 lone 6 100 - 6 - 4940/3.0=1 HB3 LYS 24 - H ARG 145 lone 4 96 - 4 - HD3 LYS 86 - H ARG 145 lone 2 89 - 3 - HB3 MET 59 - H ARG 145 lone 1 68 - 1 - Peak 7897 from nnoeabs.peaks (1.57, 8.01, 127.41 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.96: * HG2 ARG 145 + H ARG 145 OK 76 100 - 76 - 4.9=21, 2.9/4945=17...(26) HG3 ARG 145 + H ARG 145 OK 76 100 - 76 - 4.9=21, 2.9/4945=17...(26) HG3 ARG 109 + H ARG 145 OK 34 85 - 40 - 1.8/4969=4, 4941/3.0=3...(26) HG2 ARG 109 - H ARG 145 OK 32 96 - 34 - 4969=5, 4970/3.0=4...(18) HG3 ARG 124 - H ARG 145 OK 20 92 - 22 - 1.8/7895=5, 10847/3.0=4...(8) HD2 LYS 85 - H ARG 145 lone 4 100 - 4 - HD3 LYS 85 - H ARG 145 lone 4 96 - 4 - HB2 LEU 66 - H ARG 145 lone 3 100 - 3 - HB2 LEU 126 - H ARG 145 lone 2 100 - 2 - Peak 7898 from nnoeabs.peaks (1.57, 8.01, 127.41 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.96: * HG3 ARG 145 + H ARG 145 OK 76 100 - 76 - 4.9=21, 2.9/4945=17...(26) HG2 ARG 145 + H ARG 145 OK 76 100 - 76 - 4.9=21, 2.9/4945=17...(26) HG2 ARG 109 + H ARG 145 OK 33 99 - 34 - 4969=5, 4970/3.0=4...(18) HG3 ARG 109 - H ARG 145 OK 30 77 - 40 - 1.8/4969=4, 4941/3.0=3...(24) HG3 ARG 124 - H ARG 145 OK 18 85 - 22 - 1.8/7895=5, 10847/3.0=3...(8) HD2 LYS 85 - H ARG 145 lone 4 100 - 4 - HD3 LYS 85 - H ARG 145 lone 4 92 - 4 - HB2 LEU 66 - H ARG 145 lone 3 99 - 3 - HB2 LEU 126 - H ARG 145 lone 2 100 - 2 - Peak 7899 from nnoeabs.peaks (3.12, 8.01, 127.41 ppm; 4.58 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 145 + H ARG 145 OK 97 100 - 97 - 6.0=45, 3.4/4945=32...(26) HD3 ARG 145 + H ARG 145 OK 97 100 - 97 - 6.0=45, 3.4/4945=32...(26) HD2 ARG 109 + H ARG 145 OK 57 100 - 57 - 4943/3.0=8, 4959/4.0=8...(17) HB3 PHE 106 - H ARG 145 OK 12 94 - 13 - 4960/4.0=3, 4952/4.0=3...(4) HA ALA 105 - H ARG 145 lone 8 94 - 8 - 2.1/10210=2, 2.9/7225=1 HB3 ASN 96 - H ARG 145 lone 7 98 - 7 - 3182/3.6=1 HA LEU 79 - H ARG 145 lone 5 92 - 5 - Peak 7900 from nnoeabs.peaks (3.12, 8.01, 127.41 ppm; 4.58 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 145 + H ARG 145 OK 97 100 - 97 - 6.0=45, 3.4/4945=32...(26) HD2 ARG 145 + H ARG 145 OK 97 100 - 97 - 6.0=45, 3.4/4945=32...(26) HD2 ARG 109 + H ARG 145 OK 57 99 - 57 - 4943/3.0=8, 4959/4.0=8...(17) HB3 PHE 106 - H ARG 145 OK 13 96 - 13 - 4960/4.0=3, 4952/4.0=3...(4) HA ALA 105 - H ARG 145 lone 8 92 - 8 - 2.1/10210=2, 2.9/7225=1 HB3 ASN 96 - H ARG 145 lone 7 96 - 7 - 3182/3.6=1 HA LEU 79 - H ARG 145 lone 5 94 - 5 - Peak 8033 from nnoeabs.peaks (3.73, 9.98, 128.55 ppm; 4.92 A): 0 out of 2 assignments used, low quality = 0.00: HA LEU 108 - HE1 TRP 17 lone 1 72 - 1 - QA GLY 2 - HE1 TRP 17 lone 1 67 - 1 - Reference assignment not found: HA2 GLY 15 - HE1 TRP 17 Peak 8034 from nnoeabs.peaks (3.01, 9.98, 128.55 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.11: HD3 ARG 35 - HE1 TRP 17 OK 11 99 - 11 - 3.8/8040=6, ~11629=3 HE3 LYS 36 - HE1 TRP 17 lone 5 99 - 5 - 748/5.3=3 HE2 LYS 36 - HE1 TRP 17 lone 5 99 - 5 - 748/5.3=3 Peak 8038 from nnoeabs.peaks (2.19, 9.98, 128.55 ppm; 5.26 A): 0 out of 5 assignments used, low quality = 0.12: HB3 LYS 86 - HE1 TRP 17 OK 12 72 - 17 - 10054/5.9=13 HB3 PRO 57 - HE1 TRP 17 lone 8 85 - 10 - 2.3/8040=7, 10524/8040=1 HB2 MET 113 - HE1 TRP 17 lone 8 100 - 8 - 3.0/11250=6 HB2 MET 46 - HE1 TRP 17 lone 4 100 - 4 - 10704/2.8=2 HG2 GLU 75 - HE1 TRP 17 lone 2 99 - 2 - Reference assignment not found: HB3 PRO 12 - HE1 TRP 17 Peak 8039 from nnoeabs.peaks (1.95, 9.98, 128.55 ppm; 4.94 A): 0 out of 8 assignments used, low quality = 0.23: HB2 LYS 34 - HE1 TRP 17 OK 23 67 - 34 - 3.4/8040=11, 3.4/8040=11...(5) HG2 PRO 52 - HE1 TRP 17 lone 6 81 - 7 - 79/10949=3, 87/11252=2 HB3 PRO 52 - HE1 TRP 17 lone 5 77 - 7 - 79/10949=2, 87/11252=2 HB3 GLU 122 - HE1 TRP 17 lone 3 91 - 3 - 10246/5.0=2 HB ILE 56 - HE1 TRP 17 lone 3 96 - 3 - 3.0/11251=1 HB3 PRO 98 - HE1 TRP 17 lone 3 100 - 3 - HB2 LYS 61 - HE1 TRP 17 lone 2 91 - 2 - HB3 MET 11 - HE1 TRP 17 lone 2 72 - 2 - Reference assignment not found: HG2 PRO 12 - HE1 TRP 17 Peak 8040 from nnoeabs.peaks (1.78, 9.98, 128.55 ppm; 4.45 A): 0 out of 9 assignments used, low quality = 0.35: HD3 LYS 34 - HE1 TRP 17 OK 20 77 - 25 - 3.4/8039=13, ~10805=7...(4) HD2 LYS 34 - HE1 TRP 17 OK 19 77 - 25 - 3.4/8039=13, ~10805=7...(4) HG2 PRO 57 - HE1 TRP 17 lone 9 99 - 9 - 2.3/8038=7 HB3 ARG 35 - HE1 TRP 17 poor 8 72 - 11 - 3.8/8034=7, ~9776=2, ~11629=1 HB3 MET 59 - HE1 TRP 17 lone 1 99 - 1 - HG LEU 39 - HE1 TRP 17 lone 1 91 - 1 - HG LEU 72 - HE1 TRP 17 lone 1 99 - 1 - HB3 ARG 55 - HE1 TRP 17 lone 1 96 - 1 - HB3 ARG 145 - HE1 TRP 17 lone 1 81 - 1 - Reference assignment not found: HB2 PRO 12 - HE1 TRP 17 Peak 8047 from nnoeabs.peaks (6.93, 7.82, 117.34 ppm; 4.40 A): 0 out of 2 assignments used, low quality = 0.33: QD PHE 23 - H TYR 27 OK 23 89 - 26 - 10890/3.6=12, 4810/6.6=8...(5) QD TYR 112 - H TYR 27 OK 12 100 - 12 - 4810/6.6=5, 10890/3.6=4 Peak 8055 from nnoeabs.peaks (1.51, 7.70, 113.85 ppm; 5.00 A): 6 out of 9 assignments used, quality = 0.88: HB2 LEU 29 + H GLU 28 OK 65 85 - 76 - 4.0/6113=31...(9) HG2 LYS 93 + H GLU 28 OK 30 72 - 41 - 2.9/6110=5, ~3032=5...(15) QB ALA 135 + H GLU 28 OK 22 89 - 24 - 9657=5, 2.9/7731=4...(7) HG3 LYS 76 + H GLU 28 OK 16 72 - 23 - 3.0/6110=4, 6122/4.7=4...(8) HG3 LYS 85 + H GLU 28 OK 14 96 - 15 - 3.0/6110=3, 2618/4.0=2...(5) HG2 LYS 34 + H GLU 28 OK 11 62 - 17 - 11170/5.0=5, ~6091=4...(4) HG3 PRO 57 - H GLU 28 lone 5 99 - 5 - ~6091=1 HB2 GLU 122 - H GLU 28 lone 3 98 - 3 - HB2 LYS 123 - H GLU 28 lone 3 100 - 3 - Peak 8056 from nnoeabs.peaks (0.93, 7.70, 113.85 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.57: QG2 VAL 63 + H GLU 28 OK 50 94 - 54 - 9868/4.0=18, 8367/3.1=11...(7) QG2 ILE 91 + H GLU 28 OK 14 94 - 15 - 8045/3.6=7, 8998/5.0=4 HB2 LEU 108 - H GLU 28 lone 8 98 - 8 - ~6093=4 HB2 LEU 64 - H GLU 28 lone 4 62 - 7 - 10541/3.0=1, 344/10838=1 Peak 8057 from nnoeabs.peaks (3.02, 6.91, 119.95 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.61: HD3 ARG 35 + H LEU 29 OK 44 89 - 50 - 3.0/10882=20...(7) HE2 LYS 36 + H LEU 29 OK 17 89 - 19 - 8063/4.6=5, ~10848=4...(6) HE3 LYS 36 + H LEU 29 OK 16 85 - 19 - 8063/4.6=5, ~10848=4...(6) Peak 8078 from nnoeabs.peaks (3.85, 7.31, 109.04 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.51: HA MET 68 + H ASP 30 OK 23 98 - 24 - 4.6/8419=7, 3.7/9873=5...(6) HA ALA 104 + H ASP 30 OK 15 94 - 15 - 3402/8080=6, 3.6/8081=4 HA LEU 72 + H ASP 30 OK 14 100 - 14 - 8539/6135=3, 4.9/6137=2...(4) HA GLN 133 + H ASP 30 OK 14 68 - 20 - 9614/4.2=5, 3.0/6133=5...(5) HB2 SER 127 - H ASP 30 lone 6 99 - 6 - 9520/4.8=1 Peak 8079 from nnoeabs.peaks (4.54, 7.31, 109.04 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.46: * HA GLU 28 + H ASP 30 OK 46 96 - 48 - 3.6/6129=22...(5) HA LEU 97 - H ASP 30 lone 7 81 - 8 - 8058/4.8=4, 6116/4.4=2 HA PRO 98 - H ASP 30 lone 6 96 - 6 - 6116/4.4=2, 8058/4.8=1 Peak 8080 from nnoeabs.peaks (8.16, 7.31, 109.04 ppm; 3.68 A): 0 out of 1 assignment used, low quality = 0.00: H THR 107 - H ASP 30 poor 9 89 - 10 - 3.5/10827=6, 9238/4.8=2 Peak 8081 from nnoeabs.peaks (8.27, 7.31, 109.04 ppm; 4.68 A): 4 out of 5 assignments used, quality = 0.76: H ASP 32 + H ASP 30 OK 58 92 - 63 - 9770/3.0=24, 6149/4.7=18...(7) H ALA 105 + H ASP 30 OK 20 68 - 29 - 4.6/10827=8, 3.6/8078=6...(6) H LEU 39 + H ASP 30 OK 16 100 - 16 - 4.8/8132=5, 9770/3.0=3...(6) H GLN 25 + H ASP 30 OK 15 98 - 16 - 4.0/6133=5, 10941/4.8=4 H GLY 143 - H ASP 30 lone 8 100 - 8 - 9770/3.0=2, 3.0/6130=2 Peak 8082 from nnoeabs.peaks (7.32, 8.26, 125.08 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.69: H ARG 35 + H ASP 32 OK 43 81 - 53 - 9771/4.0=15...(8) H ASP 30 + H ASP 32 OK 36 68 - 54 - 3.0/9770=17, 4.7/6149=15...(6) H GLU 81 + H ASP 32 OK 13 92 - 14 - 9771/4.0=7, 10813/4.0=6 Peak 8085 from nnoeabs.peaks (4.05, 8.26, 125.08 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.96: HD2 PRO 33 + H ASP 32 OK 96 100 - 97 - 4.8=62, 423/3.0=29...(20) HA GLN 25 - H ASP 32 OK 21 96 - 22 - 439/4.8=5, 423/3.0=5...(8) HA LYS 24 - H ASP 32 poor 10 81 - 12 - 423/3.0=3, 439/4.8=2...(4) Peak 8086 from nnoeabs.peaks (4.08, 8.26, 125.08 ppm; 4.14 A): 4 out of 7 assignments used, quality = 0.92: HD3 PRO 33 + H ASP 32 OK 79 81 - 97 - 4.8=63, 1.8/8085=29...(19) HA LYS 34 + H ASP 32 OK 46 89 - 52 - 3.0/10821=15...(8) HA LEU 26 + H ASP 32 OK 16 77 - 21 - 8090/4.0=4, 8089/4.0=3...(8) HA VAL 53 + H ASP 32 OK 10 100 - 10 - 8090/4.0=3, 8089/4.0=2...(4) HA PRO 52 - H ASP 32 poor 6 62 - 10 - 432/4.8=5, 425/3.0=4 HA LEU 132 - H ASP 32 lone 4 96 - 4 - 8090/4.0=1 HA GLU 90 - H ASP 32 lone 4 96 - 4 - ~11690=1 Peak 8087 from nnoeabs.peaks (2.98, 8.26, 125.08 ppm; 3.99 A): 2 out of 6 assignments used, quality = 0.52: HB2 ASP 30 + H ASP 32 OK 47 96 - 49 - 1.8/10824=18...(4) HB3 TYR 27 + H ASP 32 OK 10 62 - 16 - 1.8/10824=4, 2.6/10814=3...(5) HB3 HIS 14 - H ASP 32 lone 8 96 - 8 - 3.0/10812=3 HA VAL 82 - H ASP 32 lone 8 100 - 8 - ~8827=1, ~8827=1, ~8822=1 HB3 ASN 128 - H ASP 32 lone 3 100 - 3 - HA VAL 71 - H ASP 32 lone 3 77 - 3 - Peak 8088 from nnoeabs.peaks (2.08, 8.26, 125.08 ppm; 5.08 A): 7 out of 10 assignments used, quality = 0.93: HG3 PRO 33 + H ASP 32 OK 75 77 - 97 - 2.3/8085=35, ~425=25...(19) HB2 LEU 26 + H ASP 32 OK 25 99 - 25 - 9772/3.0=5, 3.0/8086=4...(7) HB3 LYS 36 + H ASP 32 OK 20 68 - 30 - 3.9/10814=13, 3.0/658=4...(8) HG2 PRO 118 + H ASP 32 OK 20 85 - 24 - 3970/4.8=6, 3970/4.8=5...(5) HB2 PRO 129 + H ASP 32 OK 18 100 - 18 - 9772/3.0=3, 10284/8087=3...(5) HD2 ARG 49 + H ASP 32 OK 18 96 - 18 - 1.8/10824=5, 9772/3.0=4...(5) HB3 LYS 61 + H ASP 32 OK 12 100 - 12 - 1672/3.5=3, 9817/10812=2...(5) HB3 GLN 62 - H ASP 32 lone 9 92 - 9 - 9785/4.0=2, 9772/3.0=2 HB2 GLU 131 - H ASP 32 lone 8 85 - 10 - 430/4.8=2, 438/4.8=2...(4) HG2 GLU 122 - H ASP 32 lone 6 100 - 6 - 438/4.8=1, 430/4.8=1, 9772/3.0=1 Peak 8091 from nnoeabs.peaks (1.43, 8.26, 125.08 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.31: HG12 ILE 91 - H ASP 32 OK 18 100 - 19 - 10805/4.0=7...(3) HB3 LYS 114 - H ASP 32 OK 15 77 - 19 - ~3741=3, 10213/10812=3...(7) HG3 LYS 93 - H ASP 32 lone 4 72 - 6 - 10805/4.0=2 Peak 8092 from nnoeabs.peaks (2.71, 8.89, 117.43 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.70: HB2 ASN 84 + H LYS 34 OK 50 100 - 50 - 2554=13, 3.5/6942=10...(8) HB2 PHE 38 + H LYS 34 OK 34 62 - 54 - 2.6/8095=36...(4) HB3 MET 46 + H LYS 34 OK 10 94 - 11 - 10796/4.6=3, ~9799=1, ~9775=1 HB3 TYR 70 - H LYS 34 lone 6 62 - 10 - 11543/8095=4, 10796/4.6=3 HB3 GLU 120 - H LYS 34 lone 4 77 - 5 - HB3 CYS 121 - H LYS 34 lone 3 99 - 3 - Peak 8093 from nnoeabs.peaks (2.91, 8.89, 117.43 ppm; 4.32 A): 0 out of 2 assignments used, low quality = 0.31: HD2 ARG 35 - H LYS 34 OK 31 100 - 32 - 5.4/6174=19, 3.8/10797=8...(6) HB2 TYR 119 - H LYS 34 lone 6 72 - 8 - 1.8/2562=2, 10992/6161=2 Peak 8094 from nnoeabs.peaks (7.21, 8.89, 117.43 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.54: H GLU 37 + H LYS 34 OK 40 100 - 41 - 6192/4.6=16, 10889/3.0=9...(11) HE3 TRP 17 + H LYS 34 OK 12 99 - 12 - 5.1/10804=6, 6192/4.6=2...(5) QD TYR 27 + H LYS 34 OK 11 77 - 15 - 10889/3.0=4, 6192/4.6=2...(5) QD PHE 45 - H LYS 34 lone 5 92 - 5 - 6192/4.6=1 HE3 TRP 88 - H LYS 34 lone 2 72 - 3 - Peak 8095 from nnoeabs.peaks (6.96, 8.89, 117.43 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.52: QD PHE 38 + H LYS 34 OK 52 94 - 55 - 9797/5.0=16, 8098/4.1=16...(7) HD21 ASN 139 - H LYS 34 lone 9 92 - 9 - 8098/4.1=2, 9774/5.0=2 Peak 8105 from nnoeabs.peaks (2.73, 7.21, 115.43 ppm; 4.93 A): 4 out of 7 assignments used, quality = 0.86: HB2 PHE 38 + H GLU 37 OK 72 99 - 73 - 3.2/6231=45, 1.8/8106=27...(8) HB3 MET 46 + H GLU 37 OK 29 77 - 38 - 3.0/8172=12...(8) HB3 TYR 70 + H GLU 37 OK 17 99 - 17 - 6244/3.6=7, 6258/6254=3...(5) HB3 GLU 120 + H GLU 37 OK 15 94 - 16 - 6244/3.6=6, 2439/2.8=3 HB2 ASN 96 - H GLU 37 lone 3 98 - 3 - HB3 PHE 43 - H GLU 37 lone 2 72 - 2 - HB3 ASP 137 - H GLU 37 lone 2 72 - 2 - Peak 8106 from nnoeabs.peaks (3.32, 7.21, 115.43 ppm; 5.99 A): 1 out of 1 assignment used, quality = 0.81: HB3 PHE 38 + H GLU 37 OK 81 100 - 81 - 3.2/6231=50, 1.8/8105=25...(7) Peak 8107 from nnoeabs.peaks (6.82, 7.87, 118.84 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.53: QD PHE 67 + H PHE 38 OK 41 100 - 41 - ~9810=16, ~8109=15...(5) HZ2 TRP 88 + H PHE 38 OK 21 100 - 21 - 8108/3.2=12, 5.0/6235=3...(4) HE21 GLN 133 - H PHE 38 lone 1 72 - 1 - Peak 8135 from nnoeabs.peaks (7.20, 8.57, 116.81 ppm; 6.13 A): 4 out of 4 assignments used, quality = 0.96: QD TYR 27 + H ASP 40 OK 65 100 - 65 - 2.2/8137=36, ~10816=24...(5) H GLU 37 + H ASP 40 OK 57 62 - 91 - 3.6/6274=41, 3.6/6272=34...(16) H LYS 36 + H ASP 40 OK 51 77 - 66 - 2.8/6272=37...(9) HE3 TRP 88 + H ASP 40 OK 43 100 - 43 - 10817/3.3=22...(7) Peak 8136 from nnoeabs.peaks (6.97, 8.57, 116.81 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.84: QD PHE 38 + H ASP 40 OK 80 100 - 80 - 6260/4.1=32, 4.3/6274=30...(15) HD2 HIS 10 + H ASP 40 OK 19 77 - 24 - 6260/4.1=7, 10750/4.3=6...(5) Peak 8137 from nnoeabs.peaks (6.69, 8.57, 116.81 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.63: QE TYR 27 + H ASP 40 OK 54 100 - 54 - 10816/2.9=21...(6) QE TYR 70 + H ASP 40 OK 18 81 - 22 - 6.3/6716=6, 4.5/6277=6...(5) Peak 8166 from nnoeabs.peaks (6.27, 8.64, 121.36 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.75: QE PHE 38 + H LEU 42 OK 75 100 - 76 - 8164/2.9=40, 8159/4.4=35...(8) Peak 8169 from nnoeabs.peaks (4.94, 7.82, 115.84 ppm; 5.27 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8175 from nnoeabs.peaks (3.22, 7.99, 119.79 ppm; 5.03 A): 3 out of 6 assignments used, quality = 0.94: HG3 MET 46 + H GLN 47 OK 83 94 - 88 - 3.0/6400=25, 1.8/6402=24...(21) HD2 ARG 140 + H GLN 47 OK 44 100 - 44 - 2.9/4732=9, 2.9/4741=8...(10) HD3 ARG 140 + H GLN 47 OK 41 96 - 43 - 2.9/4732=9, 2.9/4741=8...(9) HB3 TYR 117 - H GLN 47 OK 14 99 - 14 - ~6374=4, ~6381=3...(4) HD3 ARG 89 - H GLN 47 OK 12 77 - 15 - ~10471=5, ~10673=4, 10499/6395=1 HD3 ARG 124 - H GLN 47 poor 10 98 - 10 - 10523/10679=4, 1045/3.6=2 Peak 8176 from nnoeabs.peaks (2.73, 7.99, 119.79 ppm; 4.41 A): 4 out of 9 assignments used, quality = 0.79: HB3 MET 46 + H GLN 47 OK 60 62 - 95 - 4.6=86, 1.8/6400=25...(13) HB3 PHE 43 + H GLN 47 OK 27 85 - 31 - 3.0/6394=15, ~970=10, ~6375=8 HB3 GLU 120 + H GLN 47 OK 19 85 - 23 - 4.6/6398=5, ~11603=4...(6) HB3 TYR 70 + H GLN 47 OK 11 94 - 11 - 1043/3.6=2, 3.0/2059=2...(4) HG3 MET 113 - H GLN 47 poor 10 72 - 14 - 3.0/6400=5, 3716/4.6=3...(4) HB3 ASP 137 - H GLN 47 poor 9 85 - 10 - 3.0/6395=5, 965/6394=1, ~6377=1 HB2 PHE 38 - H GLN 47 lone 6 94 - 6 - 1043/3.6=1, 1052/4.6=1 HB2 ASN 96 - H GLN 47 lone 2 100 - 2 - HB2 ASN 54 - H GLN 47 lone 1 68 - 2 - Peak 8180 from nnoeabs.peaks (1.99, 6.88, 112.07 ppm; 5.14 A): 0 out of 10 assignments used, low quality = 0.00: HB2 GLN 111 - HE22 GLN 47 lone 9 98 - 9 - 3.0/3642=3, 3.0/3651=3 HB VAL 63 - HE22 GLN 47 lone 8 95 - 8 - 2.1/9835=4, 2.1/9836=2 QE MET 11 - HE22 GLN 47 lone 5 90 - 5 - QE MET 59 - HE22 GLN 47 lone 5 93 - 5 - 4.2/8181=2 QE MET 113 - HE22 GLN 47 lone 4 97 - 4 - 9337/5.1=2 HG3 PRO 52 - HE22 GLN 47 lone 4 93 - 5 - ~8182=2 HB2 GLU 142 - HE22 GLN 47 lone 3 77 - 4 - 4842/4.6=2, ~6417=1 HG3 GLU 122 - HE22 GLN 47 lone 2 85 - 2 - ~8182=1 HB3 GLU 90 - HE22 GLN 47 lone 1 81 - 1 - HB3 GLU 37 - HE22 GLN 47 lone 1 59 - 1 - Peak 8181 from nnoeabs.peaks (1.92, 6.88, 112.07 ppm; 6.24 A): 0 out of 13 assignments used, low quality = 0.45: HB2 GLN 62 - HE22 GLN 47 OK 38 88 - 43 - 11516=23, 10474/4.6=7...(6) HB2 PRO 118 - HE22 GLN 47 OK 11 97 - 11 - 3950/3.5=3, 3950/3.5=3 HB3 LEU 69 - HE22 GLN 47 poor 10 68 - 14 - 10675/5.1=3, 9879/1.7=3...(4) HB ILE 136 - HE22 GLN 47 poor 10 93 - 10 - 9674/3.5=3, 9674/3.5=3 HB2 MET 59 - HE22 GLN 47 lone 8 98 - 9 - 4.2/8180=4 QE MET 68 - HE22 GLN 47 poor 8 77 - 10 - 10675/5.1=3, 1995/3.5=2 HB2 ARG 140 - HE22 GLN 47 lone 7 85 - 8 - 4713/6.8=4 HG2 PRO 12 - HE22 GLN 47 lone 6 88 - 6 - 10666/3.5=2, 10666/3.5=2 HG3 PRO 12 - HE22 GLN 47 lone 4 95 - 4 - HG13 ILE 83 - HE22 GLN 47 lone 4 96 - 4 - HB2 LYS 86 - HE22 GLN 47 lone 3 98 - 3 - HB3 LEU 132 - HE22 GLN 47 lone 2 93 - 2 - HB2 ARG 89 - HE22 GLN 47 lone 1 59 - 2 - Peak 8182 from nnoeabs.peaks (1.95, 7.49, 112.07 ppm; 5.91 A): 0 out of 8 assignments used, low quality = 0.36: HB3 PRO 98 - HE21 GLN 47 OK 36 100 - 36 - 1.8/6417=11, 3267/4.6=10...(4) HB ILE 56 - HE21 GLN 47 lone 7 99 - 7 - ~11200=3, ~11199=2 HB3 MET 11 - HE21 GLN 47 lone 5 81 - 6 - HG2 PRO 52 - HE21 GLN 47 lone 4 72 - 6 - ~8180=4 HB3 PRO 52 - HE21 GLN 47 lone 4 68 - 6 - ~8180=4 HB3 GLU 122 - HE21 GLN 47 lone 4 85 - 4 - ~8180=2 HB2 LYS 61 - HE21 GLN 47 lone 2 96 - 2 - HB2 LYS 34 - HE21 GLN 47 lone 2 77 - 3 - Peak 8183 from nnoeabs.peaks (1.62, 7.99, 119.79 ppm; 5.86 A): 4 out of 7 assignments used, quality = 0.54: HG3 ARG 49 + H GLN 47 OK 31 89 - 35 - 11505/3.6=14, ~10663=9...(8) HB3 LEU 64 + H GLN 47 OK 14 94 - 15 - 11505/3.6=4, ~9849=3...(5) HG3 LYS 34 + H GLN 47 OK 13 98 - 14 - 9134/6399=2, 10427/4.9=2...(6) HB2 LEU 87 + H GLN 47 OK 12 92 - 13 - ~8907=5, 11505/3.6=2 HG3 ARG 144 - H GLN 47 lone 6 94 - 7 - 11505/3.6=2 HD2 LYS 24 - H GLN 47 lone 5 98 - 5 - 11505/3.6=1 HB3 LEU 26 - H GLN 47 lone 4 77 - 5 - Peak 8184 from nnoeabs.peaks (1.05, 7.99, 119.79 ppm; 6.05 A): 3 out of 3 assignments used, quality = 0.89: QG2 VAL 53 + H GLN 47 OK 69 100 - 69 - 8241/4.6=25...(12) HG13 ILE 91 + H GLN 47 OK 52 99 - 52 - 10713/3.0=14...(12) HG3 LYS 114 + H GLN 47 OK 25 100 - 25 - 10713/3.0=7, 11006/4.6=5...(7) Peak 8187 from nnoeabs.peaks (3.95, 7.66, 106.82 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.58: HA LYS 48 + H GLY 50 OK 42 100 - 42 - 3.6/6472=21, 4.8/6473=8...(6) HA ALA 60 + H GLY 50 OK 16 98 - 16 - 2.1/6475=7, 1643/4.7=3...(4) HA LEU 29 + H GLY 50 OK 14 85 - 17 - 4.0/8070=10, 8207/4.4=2 HD3 PRO 129 - H GLY 50 lone 6 89 - 7 - 8198/3.6=3, 6454/4.6=2 HA PHE 106 - H GLY 50 lone 4 94 - 4 - 6454/4.6=1 HA3 GLY 94 - H GLY 50 lone 3 98 - 3 - 9087/7135=1 HB3 SER 103 - H GLY 50 lone 2 81 - 2 - Peak 8188 from nnoeabs.peaks (3.54, 7.66, 106.82 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.90: HD3 PRO 52 + H GLY 50 OK 90 100 - 90 - 8205/4.4=34, 9831/2.9=31...(12) Peak 8189 from nnoeabs.peaks (3.25, 7.66, 106.82 ppm; 4.71 A): 3 out of 3 assignments used, quality = 0.92: HD2 PRO 52 + H GLY 50 OK 86 100 - 87 - 1.8/8188=32, 4.8/6482=27...(13) HD2 ARG 89 + H GLY 50 OK 30 94 - 32 - 8230/2.9=11, ~8230=9...(6) HB2 TYR 112 + H GLY 50 OK 19 100 - 19 - 8230/2.9=8, 8206/4.4=5...(4) Peak 8190 from nnoeabs.peaks (2.42, 7.66, 106.82 ppm; 4.64 A): 6 out of 9 assignments used, quality = 0.62: HB3 PRO 118 + H GLY 50 OK 19 94 - 20 - 8217/4.4=5, 3.0/6481=2...(10) QE MET 46 + H GLY 50 OK 19 92 - 20 - 8217/4.4=9, 5.9/9805=6 HG3 GLN 133 + H GLY 50 OK 14 98 - 14 - 10312/4.7=4, 8217/4.4=3 HG2 GLN 133 + H GLY 50 OK 13 99 - 13 - 10312/4.7=4, 8217/4.4=2 HG3 GLN 47 + H GLY 50 OK 12 100 - 12 - 10312/4.7=3, 9821/8187=2 HG2 GLN 47 + H GLY 50 OK 12 100 - 12 - 10312/4.7=3, 9821/8187=2 HG2 MET 68 - H GLY 50 lone 5 98 - 5 - 8217/4.4=1 HB3 PRO 33 - H GLY 50 lone 3 89 - 3 - 8217/4.4=1 HG2 MET 11 - H GLY 50 lone 1 62 - 2 - Peak 8191 from nnoeabs.peaks (1.88, 7.66, 106.82 ppm; 4.24 A): 4 out of 7 assignments used, quality = 0.71: HB3 LYS 48 + H GLY 50 OK 37 99 - 37 - 4.3/6472=19, 3.0/8187=16 HB2 LYS 48 + H GLY 50 OK 31 85 - 37 - 4.3/6472=19, 3.0/8187=16 HB2 ARG 144 + H GLY 50 OK 24 94 - 26 - 4891/4.4=5, 1.8/6474=5...(7) HB3 ARG 140 + H GLY 50 OK 12 72 - 16 - 2.9/6474=4, ~8230=3...(6) HB2 LYS 36 - H GLY 50 lone 8 96 - 8 - 3.6/6474=2, 1171/4.6=1 HB3 ARG 141 - H GLY 50 lone 8 89 - 9 - 10132/3223=2, 2.8/6477=1 HB3 LYS 93 - H GLY 50 lone 3 77 - 4 - Peak 8192 from nnoeabs.peaks (0.97, 7.66, 106.82 ppm; 4.16 A): 4 out of 4 assignments used, quality = 0.88: QG2 THR 51 + H GLY 50 OK 70 89 - 78 - 4.0/6482=27, 10645=20...(11) QD1 LEU 29 + H GLY 50 OK 39 94 - 41 - 8070=17, 10657/2.9=5...(11) HG3 ARG 35 + H GLY 50 OK 29 92 - 31 - 10467/4.7=6, 10466/3.6=5...(11) HB2 LEU 39 + H GLY 50 OK 12 77 - 15 - 1.8/6476=4, 10658/3.6=3...(5) Peak 8197 from nnoeabs.peaks (3.22, 7.39, 115.67 ppm; 6.32 A): 6 out of 14 assignments used, quality = 0.95: HB3 TYR 117 + H LYS 114 OK 47 98 - 48 - 10256/3.6=24...(4) HD2 ARG 140 + H ARG 49 OK 43 100 - 43 - ~4742=6, ~1240=6...(15) HD3 ARG 140 + H ARG 49 OK 41 98 - 42 - ~4742=6, ~1240=6...(15) HG3 MET 46 + H LYS 114 OK 39 94 - 42 - 4.1/10681=14...(8) HD3 ARG 124 + H LYS 114 OK 31 97 - 32 - 10679/5.9=16...(7) HG3 MET 46 + H ARG 49 OK 29 96 - 30 - 4.1/10681=23, 3.0/7398=3 HD2 ARG 140 - H LYS 114 OK 17 98 - 17 - 10256/3.6=4, ~3732=2...(7) HD3 ARG 140 - H LYS 114 OK 13 96 - 13 - ~3732=2, 2.9/6464=2...(6) HB3 TYR 117 - H ARG 49 OK 11 100 - 11 - 3.9/9312=4, 10256/3687=3 HD3 ARG 89 - H LYS 114 poor 9 70 - 12 - ~7379=4, 10256/3.6=4, ~9313=1 HD3 ARG 124 - H ARG 49 lone 8 99 - 8 - 10679/3798=2 HD3 ARG 141 - H ARG 49 lone 6 62 - 10 - 3.0/6458=2, ~1243=1, ~1243=1 HD3 ARG 89 - H ARG 49 lone 3 72 - 4 - HD3 ARG 141 - H LYS 114 lone 2 60 - 3 - Peak 8199 from nnoeabs.peaks (8.01, 7.39, 115.67 ppm; 3.71 A): 4 out of 8 assignments used, quality = 0.81: H THR 51 + H ARG 49 OK 64 100 - 64 - 8208=26, 6482/4.6=17...(9) H THR 51 + H LYS 114 OK 27 98 - 27 - 8208=10, 4.4/6472=7...(6) H ARG 145 + H ARG 49 OK 22 100 - 22 - 6482/4.6=3, 7888/4.3=3...(9) H VAL 73 + H LYS 114 OK 11 65 - 17 - 8578/4.9=7, 6769/8622=2...(5) H ARG 145 - H LYS 114 lone 7 98 - 7 - H VAL 73 - H ARG 49 lone 3 68 - 5 - 8578/7406=1 H ALA 104 - H ARG 49 lone 3 77 - 4 - H ALA 104 - H LYS 114 lone 3 74 - 3 - Peak 8205 from nnoeabs.peaks (3.53, 8.01, 109.39 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.92: HD3 PRO 52 + H THR 51 OK 92 100 - 93 - 4.8=55, 1323/2.9=27...(12) Peak 8206 from nnoeabs.peaks (3.26, 8.01, 109.39 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.94: * HD2 PRO 52 + H THR 51 OK 94 100 - 94 - 4.8=55, 1.8/8205=37...(12) HD2 ARG 89 - H THR 51 OK 28 92 - 30 - 8215/4.0=8, 8230/3.6=7...(7) HB2 TYR 112 - H THR 51 OK 26 100 - 26 - 8215/4.0=6, 1322/2.9=5...(7) Peak 8207 from nnoeabs.peaks (3.94, 8.01, 109.39 ppm; 4.97 A): 0 out of 5 assignments used, low quality = 0.39: HA2 GLY 143 - H THR 51 OK 23 100 - 24 - 3.5/7884=6, 10518/3.6=5...(6) HA LEU 29 - H THR 51 OK 20 98 - 20 - 4.0/6489=9, 345/4.0=7 HA LYS 86 - H THR 51 lone 4 99 - 4 - HD3 PRO 129 - H THR 51 lone 4 96 - 4 - 8198/6485=1 HD2 PRO 129 - H THR 51 lone 4 68 - 5 - 9824/8220=2, 8198/6485=1 Peak 8208 from nnoeabs.peaks (7.39, 8.01, 109.39 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.70: H ARG 49 + H THR 51 OK 61 94 - 65 - 8199=21, 4.6/6482=20...(9) H LYS 114 + H THR 51 OK 24 89 - 27 - 8199=9, 6472/4.4=7...(7) H ASP 41 - H THR 51 lone 2 62 - 3 - Peak 8217 from nnoeabs.peaks (2.42, 8.01, 109.39 ppm; 4.33 A): 3 out of 8 assignments used, quality = 0.60: QE MET 46 + H THR 51 OK 41 98 - 42 - 10487/4.0=17, 10684=14...(6) HB3 PRO 118 + H THR 51 OK 23 99 - 24 - 8190/4.4=4, 8229/4.0=4...(8) HG3 GLN 133 + H THR 51 OK 12 100 - 12 - 8190/4.4=3, 10315/4.8=2...(5) HG2 GLN 133 - H THR 51 lone 10 100 - 9 - 8190/4.4=3, 4.0/6486=1 HG2 GLN 47 - H THR 51 lone 9 100 - 9 - 10315/4.8=3, 8190/4.4=3 HG3 GLN 47 - H THR 51 lone 9 100 - 9 - 10315/4.8=3, 8190/4.4=3 HG2 MET 68 - H THR 51 lone 5 92 - 5 - 9915/4.0=2, 8190/4.4=1 HB3 PRO 33 - H THR 51 lone 5 77 - 6 - 1.8/8218=2, 9915/4.0=1 Peak 8218 from nnoeabs.peaks (2.05, 8.01, 109.39 ppm; 4.78 A): 4 out of 5 assignments used, quality = 0.91: HB2 PRO 52 + H THR 51 OK 85 100 - 85 - 3.0/8205=40, 3.0/8206=26...(9) HG3 PRO 98 + H THR 51 OK 19 98 - 20 - 1326/4.8=7, 1334/4.8=7 HA ARG 35 + H THR 51 OK 16 98 - 17 - 3.9/6489=6, 586/4.0=5...(5) HG2 PRO 98 + H THR 51 OK 16 94 - 17 - 1326/4.8=6, 1334/4.8=6 HB2 PRO 33 - H THR 51 poor 9 72 - 12 - 10460/4.0=3, 1334/4.8=3...(4) Peak 8219 from nnoeabs.peaks (1.93, 8.01, 109.39 ppm; 5.00 A): 2 out of 13 assignments used, quality = 0.95: HG2 PRO 52 + H THR 51 OK 78 89 - 88 - 2.3/8205=46, 2.3/8203=30...(8) HB3 PRO 52 + H THR 51 OK 78 92 - 85 - 3.0/8205=42, 3.0/8203=27...(8) HB2 PRO 118 - H THR 51 OK 22 92 - 23 - 1.8/8217=10, 8227/4.0=4...(6) HB2 ARG 89 - H THR 51 OK 21 99 - 21 - 3.5/8206=7, 2864/4.8=6...(5) HB3 LEU 132 - H THR 51 OK 16 98 - 16 - 3.0/8222=9, 8227/4.0=2 HB2 ARG 140 - H THR 51 OK 13 100 - 13 - 2.9/8220=4, 10465/3.6=2...(4) HG2 PRO 12 - H THR 51 OK 11 100 - 11 - 1335/4.8=3, 1327/4.8=2...(4) HG3 PRO 12 - H THR 51 lone 9 96 - 10 - 1335/4.8=2, 1327/4.8=2...(4) HB3 GLU 122 - H THR 51 lone 7 77 - 9 - 1327/4.8=4, 1335/4.8=4 HB2 GLN 62 - H THR 51 lone 7 100 - 7 - 1327/4.8=2, 1335/4.8=2 HB2 LYS 86 - H THR 51 lone 5 72 - 7 - 3.0/8207=3 HG13 ILE 83 - H THR 51 lone 5 62 - 8 - 3.0/8220=2, 11136/8202=1 HB2 MET 59 - H THR 51 lone 4 85 - 4 - 10461/4.0=3 Peak 8220 from nnoeabs.peaks (1.75, 8.01, 109.39 ppm; 4.44 A): 2 out of 7 assignments used, quality = 0.76: HB2 ARG 49 + H THR 51 OK 73 98 - 74 - 4.7/6482=25, 3.7/8208=22...(10) HG3 ARG 140 + H THR 51 OK 11 96 - 11 - 6474/4.4=3, 8227/4.0=1 HB2 GLU 81 - H THR 51 lone 8 94 - 9 - 8227/4.0=2, 6474/4.4=2 HD2 LYS 36 - H THR 51 lone 6 68 - 8 - 6474/4.4=2 HB ILE 83 - H THR 51 lone 5 94 - 6 - 6474/4.4=1 HG LEU 95 - H THR 51 lone 3 72 - 5 - 3144/3.6=1, 4.3/6485=1 HB2 PRO 12 - H THR 51 lone 3 68 - 5 - 2.3/8219=1, 8227/4.0=1 Peak 8221 from nnoeabs.peaks (1.62, 8.01, 109.39 ppm; 3.91 A): 2 out of 7 assignments used, quality = 0.68: HG3 ARG 144 + H THR 51 OK 44 94 - 47 - 4918=11, 3.0/4891=7...(12) HG3 ARG 49 + H THR 51 OK 42 89 - 48 - 3.0/8220=16, 5.0/8208=12...(7) HD2 LYS 24 - H THR 51 lone 6 98 - 6 - 11345/8208=2...(3) HB3 LEU 64 - H THR 51 lone 5 94 - 5 - 8226/4.0=1, 6477/4.4=1 HG3 LYS 34 - H THR 51 lone 4 98 - 4 - 8226/4.0=2 HB3 LEU 26 - H THR 51 lone 4 77 - 5 - 8226/4.0=4 HB2 LEU 87 - H THR 51 lone 3 92 - 4 - Peak 8222 from nnoeabs.peaks (1.36, 8.01, 109.39 ppm; 3.71 A): 0 out of 4 assignments used, low quality = 0.13: HB3 LEU 39 - H THR 51 OK 13 85 - 15 - 8225/4.0=10, ~1312=2 HB VAL 82 - H THR 51 lone 6 98 - 6 - 8225/4.0=3, 2.1/9978=2 HG LEU 132 - H THR 51 lone 6 81 - 7 - 8225/4.0=4, 3.0/8219=1 HB2 ARG 109 - H THR 51 lone 3 68 - 4 - 8225/4.0=2 Peak 8244 from nnoeabs.peaks (2.74, 8.69, 121.53 ppm; 5.14 A): 0 out of 9 assignments used, low quality = 0.35: HB3 PHE 43 - H VAL 53 OK 24 99 - 24 - ~10629=13, 8243/3.0=8 HB2 ASN 96 - H VAL 53 OK 14 99 - 15 - 4.7/10125=11, 8243/3.0=1 HG3 MET 113 - H VAL 53 lone 6 94 - 7 - 8243/3.0=3, ~9845=2 HB3 ASP 137 - H VAL 53 lone 5 99 - 5 - 8243/3.0=1, 9708/4.0=1 HB2 ASN 54 - H VAL 53 lone 4 92 - 4 - 10928/3.6=2 HB3 TYR 70 - H VAL 53 lone 4 72 - 5 - 10928/3.6=2, 8241/4.1=1 HE2 LYS 76 - H VAL 53 lone 2 57 - 4 - 8243/3.0=1 HB2 PHE 38 - H VAL 53 lone 2 72 - 3 - 798/3.9=1 HB3 ASP 40 - H VAL 53 lone 2 77 - 3 - Peak 8296 from nnoeabs.peaks (7.74, 8.97, 125.89 ppm; 4.58 A): 0 out of 4 assignments used, low quality = 0.44: H GLN 62 - H MET 59 OK 30 81 - 37 - 3.3/11695=15...(6) H LEU 132 - H MET 59 OK 19 72 - 26 - 4.1/6538=5, 7658/3.0=5...(8) H SER 100 - H MET 59 lone 4 72 - 6 - 8294/4.3=1 H GLU 90 - H MET 59 lone 1 62 - 2 - Peak 8297 from nnoeabs.peaks (0.88, 8.97, 125.89 ppm; 5.05 A): 3 out of 6 assignments used, quality = 0.98: QD1 ILE 101 + H MET 59 OK 75 100 - 76 - 10179/4.4=22...(14) QD1 LEU 97 + H MET 59 OK 72 100 - 72 - 9128/4.7=15, 3224/3.0=12...(19) QG2 ILE 101 + H MET 59 OK 69 100 - 69 - 10140/3.0=13...(16) QG2 ILE 136 - H MET 59 OK 27 100 - 27 - 10661/6.2=4, 10530/4.5=3...(11) QG2 VAL 80 - H MET 59 OK 21 85 - 25 - 8272/4.3=12, 8270/3.6=5...(4) HB3 LEU 42 - H MET 59 poor 8 62 - 13 - 8271/4.4=4, 8301/3.0=3...(4) Peak 8298 from nnoeabs.peaks (4.03, 8.97, 125.89 ppm; 4.49 A): 3 out of 5 assignments used, quality = 0.74: HA VAL 63 + H MET 59 OK 67 94 - 71 - 11447/3.6=22, 11450=20...(11) HA GLN 25 + H MET 59 OK 12 85 - 14 - 8282/4.4=4, 199/4.7=2...(6) HA GLU 81 + H MET 59 OK 10 81 - 13 - 11447/3.6=5, 8282/4.4=3 HA GLU 37 - H MET 59 lone 7 77 - 9 - 11447/3.6=2, 8284/6541=1...(4) HA LYS 123 - H MET 59 lone 4 68 - 6 - 11447/3.6=2, 8284/6541=1 Peak 8314 from nnoeabs.peaks (4.56, 8.42, 109.22 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.94: HA MET 59 + H LYS 61 OK 67 100 - 67 - 4.9/1644=30...(7) HA LEU 97 + H LYS 61 OK 66 94 - 70 - 8311/3.7=13, ~11426=10...(25) HA PRO 98 + H LYS 61 OK 47 77 - 62 - 8311/3.7=22, 2.3/6565=10...(13) HA ASN 130 - H LYS 61 poor 9 77 - 11 - ~7629=2, 7658/6573=2...(4) HA GLU 28 - H LYS 61 lone 6 77 - 8 - 8311/3.7=3, 8293/8295=1 Peak 8321 from nnoeabs.peaks (0.88, 8.42, 109.22 ppm; 6.52 A): 3 out of 6 assignments used, quality = 0.98: QD1 LEU 97 + H LYS 61 OK 86 99 - 87 - 11585/3.7=21, ~11426=15...(29) QD1 ILE 101 + H LYS 61 OK 60 89 - 68 - 10540/4.6=25, 10541=23...(14) QG2 ILE 101 + H LYS 61 OK 58 96 - 61 - 3.1/10541=25...(11) QG2 ILE 136 - H LYS 61 OK 32 96 - 33 - 8317/3.6=8, 9332/10251=7...(9) QG2 ILE 56 - H LYS 61 OK 22 81 - 27 - 8319/3.7=5, 2.1/6565=4...(8) HB3 LEU 42 - H LYS 61 lone 9 92 - 9 - 935/10579=4, 8319/3.7=1 Peak 8322 from nnoeabs.peaks (0.57, 8.42, 109.22 ppm; 3.45 A): 3 out of 5 assignments used, quality = 0.93: QG2 ILE 58 + H LYS 61 OK 83 98 - 85 - 8295=38, 8330/3.0=26...(20) QD1 ILE 58 + H LYS 61 OK 41 62 - 66 - 3.1/8295=22, ~8330=9...(19) QD1 LEU 132 + H LYS 61 OK 33 68 - 49 - 8320/3.7=7, 8330/3.0=7...(23) QG1 VAL 71 - H LYS 61 OK 17 89 - 19 - 8320/3.7=5, 8330/3.0=3...(5) QD1 LEU 66 - H LYS 61 OK 17 100 - 17 - 8330/3.0=3, 8337/3.3=2...(6) Peak 8329 from nnoeabs.peaks (2.29, 8.42, 109.22 ppm; 6.32 A): 2 out of 9 assignments used, quality = 0.97: HG2 GLN 62 + H LYS 61 OK 83 100 - 83 - 6589/3.3=20, ~1756=19...(14) HG3 GLN 62 + H LYS 61 OK 81 98 - 83 - 6589/3.3=20, ~1756=19...(13) HG3 GLU 75 - H LYS 61 OK 31 100 - 32 - 8643/8295=17, 6589/3.3=4...(8) HG2 GLU 131 - H LYS 61 OK 29 77 - 38 - ~1672=6, ~4467=5...(11) HB3 MET 113 - H LYS 61 OK 20 62 - 33 - 4.2/10251=30 HG2 GLU 90 - H LYS 61 lone 5 72 - 7 - 3725/10251=3 HG3 GLU 142 - H LYS 61 lone 5 77 - 7 - 6588/3.3=1 HG3 GLU 81 - H LYS 61 lone 4 100 - 4 - 6589/3.3=1 HG2 GLU 120 - H LYS 61 lone 3 72 - 4 - Peak 8337 from nnoeabs.peaks (0.57, 7.73, 119.01 ppm; 3.63 A): 4 out of 4 assignments used, quality = 0.90: QG2 ILE 58 + H GLN 62 OK 75 100 - 75 - 8330/3.5=25, 8295/3.3=22...(14) QD1 LEU 132 + H GLN 62 OK 44 81 - 54 - 4510=7, 2.1/4502=7...(20) QG1 VAL 71 + H GLN 62 OK 17 96 - 18 - 8330/3.5=2, 8322/3.3=2...(7) QD1 LEU 66 + H GLN 62 OK 15 100 - 15 - 8330/3.5=3, 8322/3.3=2...(4) Peak 8338 from nnoeabs.peaks (9.00, 7.73, 119.01 ppm; 4.71 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8339 from nnoeabs.peaks (0.88, 6.86, 111.72 ppm; 4.63 A): 0 out of 6 assignments used, low quality = 0.25: QD1 LEU 97 - HE21 GLN 62 OK 25 98 - 25 - 2.1/9112=20, 8344/3.5=2...(4) QD1 ILE 101 - HE21 GLN 62 lone 9 85 - 10 - 10131/3.5=3, 10131/3.5=3...(4) QG2 ILE 101 - HE21 GLN 62 lone 8 94 - 8 - 8344/3.5=2, 3222/9112=2 QG2 ILE 136 - HE21 GLN 62 lone 7 94 - 7 - 11705/11706=1 QG2 ILE 56 - HE21 GLN 62 lone 5 85 - 6 - 1458/11537=2 HB3 LEU 42 - HE21 GLN 62 lone 1 94 - 1 - Peak 8340 from nnoeabs.peaks (0.92, 7.47, 111.72 ppm; 3.93 A): 0 out of 7 assignments used, low quality = 0.29: QG2 VAL 63 - HE22 GLN 62 OK 22 96 - 23 - 8366/5.8=9, 8343/4.6=5...(4) HB2 LEU 64 - HE22 GLN 62 OK 10 100 - 10 - 8343/4.6=3, 8344/3.5=3 QG1 VAL 63 - HE22 GLN 62 poor 10 68 - 14 - 8343/4.6=5, 8344/3.5=2...(5) QD2 LEU 29 - HE22 GLN 62 lone 5 96 - 5 - 8343/4.6=2, 8344/3.5=1 QG1 VAL 53 - HE22 GLN 62 lone 3 62 - 5 - 8343/4.6=2 QG2 ILE 91 - HE22 GLN 62 lone 2 96 - 2 - HB2 LEU 108 - HE22 GLN 62 lone 1 92 - 1 - Peak 8341 from nnoeabs.peaks (0.91, 7.73, 119.01 ppm; 5.98 A): 4 out of 4 assignments used, quality = 0.82: QG1 VAL 63 + H GLN 62 OK 63 100 - 63 - ~8366=27, 8343/4.0=13...(11) HB2 LEU 64 + H GLN 62 OK 22 89 - 25 - 8343/4.0=8, 8344/4.9=4...(8) QD2 LEU 29 + H GLN 62 OK 21 98 - 22 - 8343/4.0=4, 10291/4.6=2...(10) QG1 VAL 53 + H GLN 62 OK 20 99 - 21 - 8343/4.0=4, 8342/4.0=3...(8) Peak 8365 from nnoeabs.peaks (4.44, 8.29, 127.59 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.81: HA ILE 58 + H LEU 64 OK 74 92 - 80 - 10955/3.6=26, 11448=26...(9) HA ASN 84 + H LEU 64 OK 28 94 - 30 - 8364/3.6=9, 8362/4.3=6...(7) Peak 8379 from nnoeabs.peaks (1.19, 7.64, 123.68 ppm; 3.43 A): 2 out of 4 assignments used, quality = 0.55: QD1 LEU 26 + H LEU 66 OK 49 77 - 64 - 2.1/11443=18...(15) HB3 LEU 108 + H LEU 66 OK 12 98 - 12 - 8408/4.6=3, 9863/4.5=3...(5) HG13 ILE 56 - H LEU 66 poor 10 89 - 11 - 9863/4.5=3, 8408/4.6=2...(4) HG12 ILE 56 - H LEU 66 lone 8 85 - 10 - 9863/4.5=3, ~10786=2, 8408/4.6=1 Peak 8380 from nnoeabs.peaks (0.90, 7.64, 123.68 ppm; 4.01 A): 5 out of 7 assignments used, quality = 0.77: QG2 VAL 80 + H LEU 66 OK 37 100 - 37 - 9984/4.5=8, 8755/4.5=5...(10) QG2 ILE 136 + H LEU 66 OK 29 72 - 40 - 2.3/11442=8, 9892/4.5=4...(12) QG1 VAL 63 + H LEU 66 OK 25 81 - 31 - 9876/3.6=10, 10937/4.6=8...(6) QD1 ILE 101 + H LEU 66 OK 19 85 - 23 - 10171=3, 9901/4.5=2...(10) QG2 ILE 101 + H LEU 66 OK 16 72 - 22 - 3.1/10171=3, ~1881=3...(9) QD1 LEU 97 - H LEU 66 poor 10 62 - 16 - 10908/11443=3...(8) QG1 VAL 53 - H LEU 66 lone 8 85 - 9 - 9834/4.6=4, ~8390=1 Peak 8389 from nnoeabs.peaks (1.77, 9.19, 124.99 ppm; 5.61 A): 5 out of 6 assignments used, quality = 0.75: HG LEU 39 + H ASP 65 OK 29 100 - 29 - ~8388=11, ~8387=6...(6) HB3 MET 59 + H ASP 65 OK 28 100 - 28 - 11016/5.0=14...(4) HG2 PRO 57 + H ASP 65 OK 27 92 - 30 - 11016/5.0=14...(4) HB3 ARG 35 + H ASP 65 OK 24 92 - 26 - ~11188=10, ~10901=6...(6) HG LEU 72 + H ASP 65 OK 11 89 - 13 - ~8386=5, 11016/5.0=2 HB3 ARG 55 - H ASP 65 lone 5 100 - 5 - 11016/5.0=1, 11517/4.4=1 Peak 8397 from nnoeabs.peaks (6.26, 7.29, 113.07 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.72: QE PHE 38 + H PHE 67 OK 72 89 - 81 - 2.2/9867=43, ~9868=23...(11) Peak 8398 from nnoeabs.peaks (4.36, 7.29, 113.07 ppm; 4.12 A): 3 out of 4 assignments used, quality = 0.64: HA ASP 65 + H PHE 67 OK 52 100 - 52 - 3.6/6643=21, 3.0/6654=10...(13) HB THR 51 + H PHE 67 OK 14 96 - 15 - 2.1/8407=5, 6634/4.6=3...(5) HA ARG 144 + H PHE 67 OK 13 99 - 13 - 3.0/10513=6, 3.0/6650=3 HA3 GLY 77 - H PHE 67 lone 4 100 - 4 - 6634/4.6=1 Peak 8401 from nnoeabs.peaks (2.44, 7.29, 113.07 ppm; 6.26 A): 5 out of 5 assignments used, quality = 0.55: HG3 GLU 131 + H PHE 67 OK 21 98 - 21 - 10288/3.6=4, 9566/3.7=4...(5) HG2 MET 11 + H PHE 67 OK 14 96 - 14 - 3.0/11234=3, 1975/3.6=2 HB3 GLU 131 + H PHE 67 OK 13 94 - 14 - 9569/3.7=3, 8750/11232=2...(4) HB3 PRO 33 + H PHE 67 OK 13 77 - 17 - 1975/3.6=5, 8417/4.3=2 HG3 GLU 28 + H PHE 67 OK 12 92 - 13 - 8049/3.7=4, 10568/8408=4 Peak 8406 from nnoeabs.peaks (0.03, 7.29, 113.07 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.45: QD1 LEU 39 + H PHE 67 OK 45 68 - 67 - 2.1/8132=21, 3.2/8407=17...(14) Peak 8407 from nnoeabs.peaks (0.97, 7.29, 113.07 ppm; 4.00 A): 4 out of 4 assignments used, quality = 0.79: HB2 LEU 39 + H PHE 67 OK 48 85 - 56 - 3.2/8406=17, 3.2/6652=11...(14) QD1 LEU 29 + H PHE 67 OK 37 89 - 42 - 10844/3.7=9, 10529/3.6=8...(13) HG3 ARG 35 + H PHE 67 OK 21 85 - 25 - 1.8/11629=9, 8392/4.4=4...(8) QG2 THR 51 + H PHE 67 OK 17 81 - 21 - 2.1/8398=6, 8213/3.6=3...(6) Peak 8408 from nnoeabs.peaks (1.19, 7.29, 113.07 ppm; 3.70 A): 0 out of 4 assignments used, low quality = 0.41: QD1 LEU 26 - H PHE 67 OK 34 77 - 44 - 8379/4.6=12...(11) HB3 LEU 108 - H PHE 67 OK 10 98 - 11 - 8379/4.6=3, 8800/9999=2 HG13 ILE 56 - H PHE 67 lone 7 89 - 8 - 8379/4.6=2, 8112/8406=1 HG12 ILE 56 - H PHE 67 lone 6 85 - 7 - 8379/4.6=2, 9863/1921=1 Peak 8409 from nnoeabs.peaks (1.91, 7.29, 113.07 ppm; 5.47 A): 2 out of 12 assignments used, quality = 0.96: QE MET 68 + H PHE 67 OK 87 100 - 87 - 1991/3.6=38, 8414/4.3=25...(17) HB3 LEU 69 + H PHE 67 OK 68 100 - 68 - 4.0/6660=30...(11) HB ILE 136 - H PHE 67 OK 36 98 - 37 - 2.1/11232=13, 1881/3.6=7...(8) HB ILE 101 - H PHE 67 OK 32 96 - 33 - 2.1/11232=8, 3.2/11232=7...(9) HG13 ILE 83 - H PHE 67 OK 27 94 - 28 - 2.1/6652=8, 1881/3.6=6...(6) HB2 LYS 86 - H PHE 67 OK 20 89 - 23 - 3.5/11234=4, 2686/4.4=4...(6) HB3 ARG 89 - H PHE 67 OK 14 94 - 14 - 1881/3.6=3, 2.8/6650=2 HB2 LYS 24 - H PHE 67 OK 13 94 - 14 - 6676/3.6=2, 1.8/11234=2 HB2 PRO 118 - H PHE 67 poor 10 68 - 14 - 3.0/6647=5, 6676/3.6=3 HB3 GLN 111 - H PHE 67 lone 7 89 - 8 - 1881/3.6=3 HB2 MET 59 - H PHE 67 lone 6 77 - 7 - 1881/3.6=2 HB3 ARG 140 - H PHE 67 lone 4 62 - 6 - 8520/9904=1 Peak 8440 from nnoeabs.peaks (1.40, 7.07, 117.96 ppm; 6.59 A): 6 out of 8 assignments used, quality = 0.88: HB2 ARG 35 + H MET 68 OK 55 100 - 55 - 11167=22, 3.0/9801=18...(6) HG2 LYS 36 + H MET 68 OK 44 85 - 52 - ~695=9, 684/2.9=8...(13) HG LEU 116 + H MET 68 OK 29 100 - 29 - 2.1/8442=9, 11096/4.4=6...(7) HG2 LYS 24 + H MET 68 OK 16 85 - 19 - 10905/9798=3, 3.0/6676=3...(7) HG2 LYS 86 + H MET 68 OK 12 81 - 15 - 2705/5.9=2, ~1955=2...(6) HG2 ARG 49 + H MET 68 OK 11 62 - 18 - 3.0/9828=8, 3.9/6678=5 HG3 LYS 93 - H MET 68 poor 9 72 - 12 - 3.8/6667=2, 3.8/6667=1, ~1958=1 HD2 LYS 114 - H MET 68 lone 7 96 - 7 - 583/9801=1 Peak 8441 from nnoeabs.peaks (1.17, 7.07, 117.96 ppm; 4.65 A): 4 out of 5 assignments used, quality = 0.91: HB2 LEU 72 + H MET 68 OK 72 92 - 79 - ~9918=10, 2117/2.9=10...(26) QD1 LEU 69 + H MET 68 OK 48 92 - 52 - 4.7/6677=22, 9893/3.6=6...(12) QD1 LEU 26 + H MET 68 OK 29 98 - 30 - 10549/3.6=12...(8) HG2 LYS 76 + H MET 68 OK 16 85 - 19 - 6694/4.3=4, 9914/4.4=3...(6) HB3 LEU 108 - H MET 68 lone 7 77 - 10 - 8408/3.6=2, ~8437=1...(5) Peak 8442 from nnoeabs.peaks (0.97, 7.07, 117.96 ppm; 4.41 A): 4 out of 5 assignments used, quality = 0.67: HB2 LEU 39 + H MET 68 OK 32 96 - 33 - 8407/3.6=12, 8412/3.6=7...(8) QD1 LEU 29 + H MET 68 OK 31 72 - 43 - 10844/4.4=10, 8407/3.6=9...(10) QD1 LEU 116 + H MET 68 OK 18 62 - 29 - 10221/4.3=5, 11525/4.4=4...(10) HG3 ARG 35 + H MET 68 OK 15 68 - 23 - 3.9/9801=7, 2.9/11167=7...(5) QG2 THR 51 - H MET 68 poor 9 62 - 14 - 8407/3.6=4, 11531/4.4=2...(4) Peak 8443 from nnoeabs.peaks (0.78, 7.07, 117.96 ppm; 3.91 A): 5 out of 5 assignments used, quality = 0.91: QD2 LEU 95 + H MET 68 OK 59 99 - 60 - 10095/4.4=15, 9933=13...(17) QD1 LEU 79 + H MET 68 OK 57 100 - 57 - 9933=14, 9930/4.3=12...(14) QG2 THR 74 + H MET 68 OK 32 100 - 31 - 8618/3.6=6, 9933=5...(11) QG1 VAL 80 + H MET 68 OK 19 62 - 31 - 8430/3.6=7, 2.1/6673=5...(12) QD2 LEU 126 + H MET 68 OK 13 89 - 14 - 11231/3.6=3, 8618/3.6=2...(5) Peak 8448 from nnoeabs.peaks (3.05, 8.63, 118.02 ppm; 5.16 A): 3 out of 6 assignments used, quality = 0.83: HB2 PHE 67 + H LEU 69 OK 69 98 - 70 - 3.7/6660=29, 4.4/6677=28...(10) HB3 ASP 65 + H LEU 69 OK 38 98 - 39 - 9887/4.4=12, 6666/4.3=9...(10) HE2 LYS 34 + H LEU 69 OK 11 92 - 12 - 6666/4.3=5, 11530/4.4=2 HB2 HIS 10 - H LEU 69 lone 7 98 - 7 - 6666/4.3=1, 11530/4.4=1 HB2 TYR 27 - H LEU 69 lone 7 72 - 9 - ~10915=7 HE3 LYS 34 - H LEU 69 lone 2 77 - 3 - Peak 8466 from nnoeabs.peaks (0.78, 8.63, 118.02 ppm; 3.32 A): 5 out of 5 assignments used, quality = 0.83: QD1 LEU 79 + H LEU 69 OK 43 98 - 43 - 9930=10, 8468/2.9=6...(13) QD2 LEU 95 + H LEU 69 OK 42 100 - 42 - 9930=7, 8468/2.9=6...(15) QD2 LEU 72 + H LEU 69 OK 30 62 - 48 - 3.2/6694=7, 8468/2.9=5...(23) QG2 THR 74 + H LEU 69 OK 18 94 - 19 - 8443/4.3=3, 9930=2...(8) QD2 LEU 126 + H LEU 69 OK 12 68 - 18 - 8469/4.0=4, 8468/2.9=3...(8) Peak 8467 from nnoeabs.peaks (0.58, 8.63, 118.02 ppm; 4.63 A): 3 out of 5 assignments used, quality = 0.95: QG1 VAL 71 + H LEU 69 OK 76 100 - 76 - 8438/3.6=28, 4.0/6720=22...(16) QD1 LEU 66 + H LEU 69 OK 57 89 - 64 - 4.0/1879=20, 9906/4.0=18...(14) QD1 LEU 132 + H LEU 69 OK 51 100 - 51 - 8474/4.7=11, 2.1/6691=6...(17) QG2 ILE 58 - H LEU 69 OK 16 94 - 17 - 8281/2.9=3, 10580/6720=2...(7) QD1 ILE 56 - H LEU 69 OK 15 77 - 19 - 10917/4.7=3, 10918/4.0=3...(9) Peak 8481 from nnoeabs.peaks (0.76, 7.49, 118.24 ppm; 4.12 A): 4 out of 5 assignments used, quality = 0.96: QD2 LEU 72 + H TYR 70 OK 59 100 - 59 - 10260/4.1=10, 5.0/6716=9...(19) QG2 VAL 73 + H TYR 70 OK 55 92 - 60 - ~2060=11, 8480/2.9=8...(19) QD1 LEU 72 + H TYR 70 OK 54 96 - 57 - 4.9/6716=9, 3.1/6708=7...(17) QD1 ILE 136 + H TYR 70 OK 50 94 - 53 - 8480/2.9=8, ~8479=7...(19) QD2 LEU 95 - H TYR 70 OK 17 68 - 25 - 8468/3.6=5, 8466/4.0=4...(8) Peak 8482 from nnoeabs.peaks (0.58, 7.49, 118.24 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.96: QG1 VAL 71 + H TYR 70 OK 85 98 - 87 - 2.1/8483=42, 2098/4.1=32...(21) QD1 LEU 66 + H TYR 70 OK 76 100 - 76 - 9906=32, 4.0/8393=16...(16) QD1 LEU 132 - H TYR 70 OK 29 85 - 35 - 8467/4.0=5, 2.1/6705=5...(10) QG2 ILE 58 - H TYR 70 OK 20 100 - 20 - 10580/4.1=7, 8281/3.6=3...(5) Peak 8483 from nnoeabs.peaks (0.24, 7.49, 118.24 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 71 + H TYR 70 OK 91 100 - 91 - 8522=50, 6730/4.1=33...(21) Peak 8488 from nnoeabs.peaks (6.93, 7.49, 118.24 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.84: QD TYR 112 + H TYR 70 OK 77 100 - 77 - 8491/2.9=28, 8459/4.8=22...(12) QD PHE 23 + H TYR 70 OK 28 81 - 35 - 8491/2.9=9, 8459/4.8=9...(9) Peak 8489 from nnoeabs.peaks (6.79, 7.49, 118.24 ppm; 5.62 A): 2 out of 3 assignments used, quality = 0.88: QE TYR 112 + H TYR 70 OK 75 96 - 78 - 2.2/8488=30, ~8491=23...(12) H LYS 76 + H TYR 70 OK 52 100 - 53 - 4.0/6707=9, 5.1/6708=7...(16) HD21 ASN 96 - H TYR 70 lone 6 62 - 10 - 8526/4.1=2, 3.5/6712=2 Peak 8490 from nnoeabs.peaks (6.27, 7.49, 118.24 ppm; 5.29 A): 0 out of 1 assignment used, low quality = 0.38: QE PHE 38 - H TYR 70 OK 38 100 - 38 - 8396/1930=14...(7) Peak 8493 from nnoeabs.peaks (0.77, 8.30, 122.72 ppm; 3.85 A): 3 out of 5 assignments used, quality = 0.98: QD2 LEU 72 + H VAL 71 OK 81 99 - 82 - 2141/3.4=20, 3.2/8495=13...(24) QD1 LEU 72 + H VAL 71 OK 76 92 - 82 - 2149/3.4=16, 3.1/8495=13...(22) QD1 ILE 136 + H VAL 71 OK 53 89 - 60 - 2.1/8494=11, 9685/4.0=8...(18) QG2 VAL 73 - H VAL 71 OK 44 85 - 51 - 9961/3.4=14, 3.9/6755=13...(14) QD2 LEU 95 - H VAL 71 OK 15 77 - 19 - 8496/2.9=3, 8516/3.9=2...(6) Peak 8494 from nnoeabs.peaks (0.99, 8.30, 122.72 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.93: QD1 LEU 116 + H VAL 71 OK 69 100 - 69 - 8479/3.6=14, 9393/4.0=14...(17) HG12 ILE 136 + H VAL 71 OK 59 100 - 59 - 8479/3.6=11, 8517/3.9=9...(15) HB2 LEU 39 + H VAL 71 OK 47 92 - 51 - 3.0/6724=8, 4.3/6732=7...(15) Peak 8495 from nnoeabs.peaks (1.80, 8.30, 122.72 ppm; 3.84 A): 6 out of 8 assignments used, quality = 0.86: HB3 LEU 72 + H VAL 71 OK 69 92 - 76 - 3.4/6732=18, 4.4/6755=12...(21) HB3 LYS 24 + H VAL 71 OK 19 100 - 19 - 3.0/11348=6, 3.7/11360=4...(5) HB2 ARG 124 + H VAL 71 OK 16 100 - 16 - 6746/3.4=3, 9939/3.9=2...(7) HD2 LYS 34 + H VAL 71 OK 15 92 - 17 - 9800/5.0=8, ~6747=2, 9895/4.0=1 HD3 LYS 34 + H VAL 71 OK 11 92 - 12 - 9800/5.0=3, ~6747=2...(5) HB3 ARG 145 + H VAL 71 OK 11 89 - 13 - 9895/4.0=2, 1.8/6729=2...(6) HD3 LYS 86 - H VAL 71 lone 6 100 - 6 - 6746/3.4=2, 9895/4.0=1 HB2 MET 11 - H VAL 71 lone 3 62 - 5 - 6746/3.4=2 Peak 8526 from nnoeabs.peaks (6.80, 8.30, 122.72 ppm; 5.78 A): 3 out of 3 assignments used, quality = 0.48: H LYS 76 + H VAL 71 OK 29 77 - 38 - 8524/3.9=17, 8529/4.0=8...(7) HE21 GLN 133 + H VAL 71 OK 17 98 - 18 - 8547/6755=5, 5.3/6719=3...(5) HD21 ASN 96 + H VAL 71 OK 11 100 - 11 - 8547/6755=3, 3.5/6725=3 Peak 8530 from nnoeabs.peaks (0.33, 8.57, 117.31 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 91 + H LEU 72 OK 94 99 - 95 - 8996/3.0=31, 8541/4.9=23...(26) HG2 LYS 123 + H LEU 72 OK 36 72 - 49 - 8537/3.4=13, 8577/3.0=13...(12) Peak 8531 from nnoeabs.peaks (0.94, 8.57, 117.31 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.97: QG2 ILE 91 + H LEU 72 OK 82 85 - 96 - 10079/3.0=26...(34) HB2 LEU 108 + H LEU 72 OK 66 92 - 72 - 3.2/2149=14, 8536/3.4=10...(35) QG2 VAL 63 + H LEU 72 OK 46 85 - 54 - 1807/3.4=6, ~9871=6...(17) Peak 8533 from nnoeabs.peaks (2.14, 8.57, 117.31 ppm; 4.92 A): 4 out of 5 assignments used, quality = 0.63: HG2 GLU 81 + H LEU 72 OK 45 100 - 45 - 9966=14, 1.8/9967=13...(9) HG3 PRO 118 + H LEU 72 OK 14 100 - 14 - ~2117=2, 2.3/6735=2...(6) HB2 GLN 133 + H LEU 72 OK 13 99 - 13 - 3.0/6735=3, ~6719=2, 2113/2.9=1 HB3 GLN 133 + H LEU 72 OK 12 98 - 13 - 3.0/6735=3, ~6719=2, 2113/2.9=1 HG2 GLN 111 - H LEU 72 lone 7 85 - 9 - 2113/2.9=2, 11485/4.6=1 Peak 8547 from nnoeabs.peaks (6.81, 8.00, 116.53 ppm; 4.25 A): 0 out of 4 assignments used, low quality = 0.42: HE21 GLN 133 - H VAL 73 OK 23 100 - 24 - 8554/3.9=7, 10436/3.2=5...(9) HD21 ASN 96 - H VAL 73 OK 15 96 - 15 - 8554/3.9=5, 8552/4.0=4...(4) HZ2 TRP 88 - H VAL 73 OK 12 68 - 17 - 8554/3.9=10, 7.8/8572=2 QD PHE 67 - H VAL 73 lone 6 81 - 8 - 8524/9905=2, 8554/3.9=2 Peak 8548 from nnoeabs.peaks (6.90, 8.00, 116.53 ppm; 4.88 A): 3 out of 5 assignments used, quality = 0.58: HE21 GLN 25 + H VAL 73 OK 32 99 - 33 - ~11697=20, 8551/4.0=10...(4) H LEU 29 + H VAL 73 OK 26 72 - 37 - 4.6/8580=16, 8551/4.0=14...(5) HE21 GLN 22 + H VAL 73 OK 16 100 - 16 - 8551/4.0=9, 8553/3.9=3 HE21 GLN 111 - H VAL 73 lone 3 77 - 4 - 3.5/6765=3 HD2 HIS 14 - H VAL 73 lone 2 100 - 2 - Peak 8572 from nnoeabs.peaks (4.17, 8.00, 116.53 ppm; 4.14 A): 4 out of 7 assignments used, quality = 0.87: HG1 THR 74 + H VAL 73 OK 59 100 - 59 - 8610/3.2=18, 3.0/2148=9...(14) HA TRP 88 + H VAL 73 OK 39 100 - 39 - 8610/3.2=7, 8930/8996=6...(11) HA LEU 64 + H VAL 73 OK 36 100 - 36 - 8610/3.2=7, 3.0/6755=5...(14) HA PHE 38 + H VAL 73 OK 18 100 - 18 - 8610/3.2=3, 8509/9940=2...(9) HA GLU 120 - H VAL 73 lone 9 94 - 9 - 11034/3.0=2, 8610/3.2=2 HB3 SER 44 - H VAL 73 lone 7 85 - 9 - 3.0/996=2, 8991/8996=1 HB2 SER 44 - H VAL 73 lone 7 85 - 8 - 3.0/996=2, 8991/8996=1 Peak 8577 from nnoeabs.peaks (0.33, 8.00, 116.53 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 91 + H VAL 73 OK 91 100 - 92 - 8996=34, 8582/3.0=24...(20) HG2 LYS 123 + H VAL 73 OK 43 68 - 63 - 8582/3.0=28, 8586/4.0=10...(16) Peak 8578 from nnoeabs.peaks (0.44, 8.00, 116.53 ppm; 4.67 A): 0 out of 1 assignment used, low quality = 0.25: HG2 LYS 114 - H VAL 73 OK 25 92 - 27 - 1.8/8581=11, 3.6/6753=5...(6) Peak 8579 from nnoeabs.peaks (0.61, 8.00, 116.53 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.62: QD2 LEU 79 + H VAL 73 OK 62 98 - 64 - 8587/4.0=34, 8601/3.2=15...(15) Peak 8580 from nnoeabs.peaks (0.95, 8.00, 116.53 ppm; 4.06 A): 0 out of 3 assignments used, low quality = 0.33: QD1 LEU 29 - H VAL 73 OK 23 62 - 38 - 8539/3.6=14, 8071/3.0=9...(8) QG2 THR 51 - H VAL 73 OK 13 72 - 18 - 8539/3.6=5, 8228/4.0=4...(4) HG3 ARG 35 - H VAL 73 poor 7 68 - 10 - 8737/8579=4, 8539/3.6=3 Peak 8581 from nnoeabs.peaks (1.05, 8.00, 116.53 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.96: HG13 ILE 91 + H VAL 73 OK 91 100 - 92 - 2.1/8996=36...(19) HG3 LYS 114 + H VAL 73 OK 49 92 - 54 - 1.8/8578=38, 3.6/6753=5...(8) QG2 VAL 53 - H VAL 73 OK 34 89 - 39 - 8240/3.0=12, 10657/4.0=7...(10) HB2 LEU 116 - H VAL 73 OK 13 89 - 15 - 2991/8996=3, 4.5/6769=3...(7) QG2 THR 110 - H VAL 73 lone 3 68 - 5 - 3770/8578=2, 10177/11257=1 Peak 8601 from nnoeabs.peaks (0.60, 8.22, 110.83 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.68: QD2 LEU 79 + H THR 74 OK 48 68 - 71 - 8587/4.4=29, 8579/3.2=22...(16) QD1 ILE 56 + H THR 74 OK 39 92 - 42 - 8623/3.2=22, ~10604=5...(9) Peak 8602 from nnoeabs.peaks (0.22, 8.22, 110.83 ppm; 4.65 A): 0 out of 1 assignment used, low quality = 0.44: QG2 VAL 71 - H THR 74 OK 44 62 - 71 - 3.2/2083=29, ~9940=17...(13) Peak 8610 from nnoeabs.peaks (4.17, 8.22, 110.83 ppm; 2.86 A): 3 out of 8 assignments used, quality = 0.69: * HG1 THR 74 + H THR 74 OK 52 100 - 52 - 5.1=17, 3.0/6782=9...(15) HA TRP 88 + H THR 74 OK 20 100 - 20 - 8572/3.2=3, 8628/3.2=2...(9) HA LEU 64 + H THR 74 OK 19 100 - 19 - 8628/3.2=3, 8572/3.2=3...(8) HA PHE 38 - H THR 74 lone 8 100 - 8 - 8572/3.2=1 HA CYS 121 - H THR 74 lone 7 68 - 10 - 10314=2, 8628/3.2=2, 8608/3.0=1 HA GLU 120 - H THR 74 lone 5 89 - 5 - 4.9/10314=2 HB3 SER 44 - H THR 74 lone 2 77 - 2 - HB2 SER 44 - H THR 74 lone 2 77 - 2 - Peak 8622 from nnoeabs.peaks (7.38, 8.41, 125.14 ppm; 4.15 A): 0 out of 3 assignments used, low quality = 0.18: H LYS 114 - H GLU 75 OK 18 94 - 19 - 9312=6, 3.6/11700=6...(5) H ARG 49 - H GLU 75 lone 4 89 - 4 - 9312=1 H ASP 41 - H GLU 75 lone 2 100 - 2 - Peak 8623 from nnoeabs.peaks (0.60, 8.41, 125.14 ppm; 3.99 A): 0 out of 2 assignments used, low quality = 0.33: QD1 ILE 56 - H GLU 75 OK 23 98 - 23 - 8601/3.2=10, 8603/3.6=3...(4) QD1 LEU 132 - H GLU 75 OK 14 62 - 22 - 9947/4.3=3, 10413/3.2=3...(7) Peak 8625 from nnoeabs.peaks (1.17, 8.41, 125.14 ppm; 5.03 A): 3 out of 5 assignments used, quality = 0.98: HB2 LEU 72 + H GLU 75 OK 86 100 - 86 - 3.0/2112=26, 4.4/6769=23...(22) HG2 LYS 76 + H GLU 75 OK 74 100 - 74 - 5.1/6805=26...(16) QD1 LEU 69 + H GLU 75 OK 54 100 - 54 - 9922/6788=8, 6814/4.6=8...(20) QG2 THR 92 - H GLU 75 OK 28 77 - 36 - 8636/3.9=9, 8634/5.0=6...(9) QD1 LEU 26 - H GLU 75 OK 17 72 - 23 - 10552/4.6=13...(4) Peak 8626 from nnoeabs.peaks (1.52, 8.41, 125.14 ppm; 4.69 A): 7 out of 9 assignments used, quality = 0.91: HG3 LYS 76 + H GLU 75 OK 47 85 - 55 - 5.1/6805=23, 3.0/8627=12...(8) HB2 LYS 123 + H GLU 75 OK 36 100 - 36 - 4116/3.2=7, ~11678=5...(10) QB ALA 135 + H GLU 75 OK 34 96 - 35 - 3.7/6790=6, 4590/3.2=5...(13) HD2 LYS 76 + H GLU 75 OK 29 68 - 42 - 6.1/6805=17, 3.5/8627=11...(6) HG3 PRO 57 + H GLU 75 OK 26 100 - 26 - 8268/8623=6, 9927/5.0=5...(6) HG2 LYS 93 + H GLU 75 OK 12 85 - 14 - 2284/4.6=3, 2.9/8627=3 HG3 LYS 85 + H GLU 75 OK 11 100 - 11 - 3.0/8627=2, 6815/4.6=2...(5) HB2 LEU 29 - H GLU 75 lone 8 94 - 8 - 4.2/6139=2, 8635/5.0=1 HB2 GLU 122 - H GLU 75 lone 4 92 - 4 - Peak 8627 from nnoeabs.peaks (1.85, 8.41, 125.14 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.71: HB3 LEU 126 + H GLU 75 OK 42 96 - 44 - ~9496=14, 3.1/6793=10...(10) HB3 LYS 76 + H GLU 75 OK 40 81 - 50 - 4.0/6805=28, 3.0/8625=8...(9) HG LEU 69 + H GLU 75 OK 16 72 - 22 - 2.1/8625=6, 11288/3.2=3...(7) HB2 LYS 93 - H GLU 75 lone 10 99 - 10 - 2.9/8626=2, 6813/4.6=1 HB3 LYS 85 - H GLU 75 poor 6 62 - 10 - 6813/4.6=3, 3.0/8626=2 HB3 GLU 28 - H GLU 75 lone 3 85 - 4 - Peak 8628 from nnoeabs.peaks (4.18, 8.41, 125.14 ppm; 3.31 A): 4 out of 6 assignments used, quality = 0.61: HG1 THR 74 + H GLU 75 OK 40 89 - 45 - 2.8/2195=13, 8610/3.2=11...(12) HA LEU 64 + H GLU 75 OK 15 92 - 17 - 8610/3.2=4, 8608/3.6=3...(7) HA TRP 88 + H GLU 75 OK 14 89 - 15 - 8610/3.2=4, 8608/3.6=3...(5) HA CYS 121 + H GLU 75 OK 10 94 - 11 - 10314/3.2=4, 8618/4.3=2 HA PHE 38 - H GLU 75 lone 6 85 - 7 - 8610/3.2=2, 8503/6786=1 HA PHE 67 - H GLU 75 lone 4 62 - 6 - 8618/4.3=2, 4.9/6787=2 Peak 8648 from nnoeabs.peaks (0.74, 6.79, 115.56 ppm; 3.85 A): 5 out of 5 assignments used, quality = 0.91: QG2 VAL 73 + H LYS 76 OK 55 72 - 77 - 2.1/8552=32, 2.1/6807=16...(15) QD1 LEU 108 + H LYS 76 OK 47 99 - 48 - 9258/3.6=23, 8630/4.4=6...(13) QD2 LEU 108 + H LYS 76 OK 39 77 - 51 - 8654/4.0=11, 8660/5.1=8...(13) QD1 LEU 72 + H LYS 76 OK 27 62 - 44 - 2.1/8620=9, 9258/3.6=7...(13) QD1 ILE 136 + H LYS 76 OK 17 68 - 25 - 4.8/6803=3, 10332/3.6=2...(9) Peak 8649 from nnoeabs.peaks (0.41, 6.79, 115.56 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.85: QG2 VAL 82 + H LYS 76 OK 74 81 - 91 - 8653/3.0=27, 8823=26...(25) QD2 LEU 132 + H LYS 76 OK 40 72 - 55 - 8655/4.0=25...(9) Peak 8650 from nnoeabs.peaks (0.34, 6.79, 115.56 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.89: HG2 LYS 123 + H LYS 76 OK 80 100 - 80 - 11053/3.0=13...(26) QD1 ILE 91 + H LYS 76 OK 48 68 - 71 - 8994=18, 11715/3.0=12...(19) Peak 8651 from nnoeabs.peaks (0.14, 6.79, 115.56 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8669 from nnoeabs.peaks (6.80, 8.34, 110.56 ppm; 3.93 A): 0 out of 3 assignments used, low quality = 0.42: H LYS 76 - H GLY 78 OK 42 77 - 55 - 11722=29, 4.6/6834=22...(6) HD21 ASN 96 - H GLY 78 lone 4 100 - 4 - 8552/8561=2 HE21 GLN 133 - H GLY 78 lone 2 98 - 3 - 8552/8561=2 Peak 8670 from nnoeabs.peaks (6.93, 8.82, 121.54 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.51: QD TYR 112 + H LEU 79 OK 40 100 - 40 - 8717/4.9=20...(3) QD PHE 23 + H LEU 79 OK 19 92 - 21 - 4796/4.9=15, 9962/4.2=6 Peak 8671 from nnoeabs.peaks (6.83, 8.82, 121.54 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.55: HZ2 TRP 88 + H LEU 79 OK 49 99 - 49 - 8718/4.9=21, 8943/4.2=17...(4) QD PHE 67 + H LEU 79 OK 12 94 - 13 - 8720/4.2=7, 8718/4.9=5 HD22 ASN 54 - H LEU 79 lone 5 85 - 5 - 8718/4.9=3, 8720/4.2=1 Peak 8672 from nnoeabs.peaks (0.78, 7.36, 102.81 ppm; 4.28 A): 5 out of 5 assignments used, quality = 0.86: QG2 THR 74 + H GLY 77 OK 57 94 - 60 - 3.2/8681=29, 2.1/8682=20...(8) QD2 LEU 126 + H GLY 77 OK 48 68 - 70 - 2.1/8673=32, ~10258=16...(14) QD1 LEU 79 + H GLY 77 OK 21 98 - 22 - 8700/4.5=5, 2188/8681=3...(9) QD2 LEU 95 + H GLY 77 OK 12 100 - 12 - 8700/4.5=5, 8687/3.0=1 QD2 LEU 72 + H GLY 77 OK 10 62 - 16 - 8620/4.6=6, 9968/8683=3...(5) Peak 8673 from nnoeabs.peaks (0.65, 7.36, 102.81 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.54: QD1 LEU 126 + H GLY 77 OK 54 77 - 70 - 10258/3.0=19...(12) Peak 8674 from nnoeabs.peaks (0.41, 7.36, 102.81 ppm; 5.56 A): 3 out of 3 assignments used, quality = 0.81: QD2 LEU 132 + H GLY 77 OK 57 92 - 62 - 8655/4.6=38, 8649/4.6=12...(9) QG2 VAL 82 + H GLY 77 OK 50 57 - 88 - 8653/3.6=38, 8657/4.6=30...(14) HG3 LYS 123 + H GLY 77 OK 11 68 - 17 - 4143/4.6=5, 3.0/6824=5 Peak 8675 from nnoeabs.peaks (0.11, 7.36, 102.81 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.83: QG1 VAL 73 + H GLY 77 OK 83 100 - 84 - 8552/4.6=34, 8561/4.5=34...(13) Peak 8676 from nnoeabs.peaks (1.97, 7.36, 102.81 ppm; 5.70 A): 3 out of 5 assignments used, quality = 0.87: HB3 GLU 75 + H GLY 77 OK 77 100 - 78 - 4.4/6820=40, 3.0/8683=39...(11) HB2 GLU 142 + H GLY 77 OK 27 81 - 33 - ~10938=7, ~9928=7...(8) HB3 ARG 124 + H GLY 77 OK 24 100 - 24 - 9495/8673=7, 6808/4.6=6...(6) HB2 LYS 34 - H GLY 77 lone 4 85 - 4 - HB3 MET 11 - H GLY 77 lone 3 81 - 4 - 9495/8673=1 Peak 8677 from nnoeabs.peaks (1.74, 7.36, 102.81 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.98: HB2 GLU 81 + H GLY 77 OK 95 100 - 95 - 9994/3.0=32, ~8771=18...(25) HB3 GLU 81 + H GLY 77 OK 64 68 - 95 - ~9994=23, ~8771=18...(25) HB3 ARG 144 - H GLY 77 OK 28 81 - 34 - 3.0/6833=5, 8689/3.0=5...(12) HB2 ARG 49 - H GLY 77 OK 19 100 - 19 - 8697/4.5=6, ~10938=5...(5) HB ILE 83 - H GLY 77 OK 10 77 - 13 - 2.1/10777=7, 8697/4.5=2 HD2 LYS 36 - H GLY 77 poor 9 89 - 10 - 9994/3.0=2, 10782/4.5=2 HG3 ARG 140 - H GLY 77 lone 6 100 - 6 - 8697/4.5=3 Peak 8678 from nnoeabs.peaks (2.15, 7.36, 102.81 ppm; 4.90 A): 4 out of 5 assignments used, quality = 0.90: HG2 GLU 81 + H GLY 77 OK 80 85 - 94 - 8769/3.0=28, ~8771=26...(20) HB3 GLN 133 + H GLY 77 OK 23 96 - 24 - 8688/3.0=5, 8684/3.0=4...(7) HB2 GLN 133 + H GLY 77 OK 23 94 - 24 - 8688/3.0=5, 8684/3.0=4...(7) HG LEU 29 + H GLY 77 OK 19 94 - 20 - 366/4.6=6, 3.0/6827=4...(7) HG3 PRO 118 - H GLY 77 lone 4 72 - 5 - 8684/3.0=1 Peak 8679 from nnoeabs.peaks (2.28, 7.36, 102.81 ppm; 5.68 A): 4 out of 9 assignments used, quality = 0.95: HG3 GLU 81 + H GLY 77 OK 80 81 - 98 - ~8769=33, ~8769=32...(24) HG3 GLU 75 + H GLY 77 OK 50 72 - 69 - 3.9/8683=35, 3.0/8676=20...(11) HG3 GLU 142 + H GLY 77 OK 28 100 - 28 - 9928/3.0=9, 3.0/8676=7...(6) HG2 GLU 131 + H GLY 77 OK 26 100 - 26 - 10406/4.6=6, 4455/3.6=5...(8) HB3 MET 113 - H GLY 77 OK 17 98 - 17 - 9324/8674=5, 9928/3.0=4...(5) HG2 GLU 90 - H GLY 77 OK 14 100 - 14 - ~9928=6, 9928/3.0=4, 8690/3.0=3 HG2 GLN 62 - H GLY 77 lone 5 77 - 6 - HG3 GLN 62 - H GLY 77 lone 4 62 - 7 - HG3 PRO 129 - H GLY 77 lone 4 72 - 6 - 9928/3.0=2 Peak 8681 from nnoeabs.peaks (3.40, 7.36, 102.81 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.61: HA THR 74 + H GLY 77 OK 61 98 - 63 - 8692/4.5=19, 8559=19...(9) HB3 TYR 112 - H GLY 77 poor 10 68 - 14 - 6804/4.6=4, 4.5/6822=3...(5) Peak 8682 from nnoeabs.peaks (3.71, 7.36, 102.81 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.59: HB THR 74 + H GLY 77 OK 54 89 - 61 - 3.0/8681=36, 2.1/8672=17...(7) HA ILE 136 + H GLY 77 OK 12 100 - 12 - 2187/8681=3...(4) HA ILE 91 - H GLY 77 lone 8 98 - 8 - 2187/8681=2, 10658/10777=1 HA THR 107 - H GLY 77 lone 4 98 - 4 - HA LEU 108 - H GLY 77 lone 3 62 - 6 - 2187/8681=2, 9492/8673=1 Peak 8683 from nnoeabs.peaks (3.98, 7.36, 102.81 ppm; 3.93 A): 0 out of 4 assignments used, low quality = 0.42: HA GLU 75 - H GLY 77 OK 42 100 - 43 - 3.6/6820=28, 3.0/8676=9...(7) HB3 SER 127 - H GLY 77 lone 6 85 - 7 - 6806/4.6=3, 2218/8676=1 HA3 GLY 143 - H GLY 77 lone 3 98 - 3 - 6806/4.6=1 HB3 SER 103 - H GLY 77 lone 1 62 - 1 - Peak 8691 from nnoeabs.peaks (3.22, 8.34, 110.56 ppm; 5.22 A): 3 out of 6 assignments used, quality = 0.46: HD2 ARG 140 + H GLY 78 OK 21 100 - 21 - 2.9/8697=5, 5.4/6840=3...(8) HD3 ARG 140 + H GLY 78 OK 19 92 - 21 - 2.9/8697=5, 5.4/6840=3...(7) HD3 ARG 124 + H GLY 78 OK 16 94 - 17 - 10255/9497=7...(3) HD3 ARG 89 - H GLY 78 lone 5 85 - 5 - HG3 MET 46 - H GLY 78 lone 4 89 - 4 - ~10693=2 HB3 TYR 117 - H GLY 78 lone 2 96 - 2 - Peak 8692 from nnoeabs.peaks (3.40, 8.34, 110.56 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.72: HA THR 74 + H GLY 78 OK 72 98 - 74 - 8558=34, 8607/3.0=13...(15) HB3 TYR 112 - H GLY 78 poor 7 68 - 11 - 8569/8561=3, 8681/4.5=2...(5) Peak 8693 from nnoeabs.peaks (3.72, 8.34, 110.56 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.79: HB THR 74 + H GLY 78 OK 79 94 - 84 - 3.0/8692=40, 2.8/8694=20...(13) HA ILE 136 - H GLY 78 poor 9 62 - 15 - 10749/3.0=4, ~10329=4...(5) HA LEU 108 - H GLY 78 lone 5 100 - 5 - 2187/8558=2, 11017/9497=2 HA THR 107 - H GLY 78 lone 2 81 - 3 - Peak 8694 from nnoeabs.peaks (4.18, 8.34, 110.56 ppm; 4.31 A): 3 out of 6 assignments used, quality = 0.60: HG1 THR 74 + H GLY 78 OK 48 77 - 62 - 4.1/8692=29, 2.8/8693=23...(8) HA TRP 88 + H GLY 78 OK 12 77 - 16 - 8567/8561=3, 8608/8558=2...(7) HA CYS 121 + H GLY 78 OK 12 99 - 12 - ~9451=3, ~7492=2...(6) HA LEU 64 - H GLY 78 poor 8 81 - 10 - 8567/8561=2, 8608/8558=2...(4) HA PHE 38 - H GLY 78 lone 4 72 - 5 - 8128/8701=2 HA PHE 67 - H GLY 78 lone 2 77 - 3 - Peak 8697 from nnoeabs.peaks (1.75, 8.34, 110.56 ppm; 5.07 A): 4 out of 7 assignments used, quality = 0.95: HB2 ARG 49 + H GLY 78 OK 69 98 - 71 - 3.7/6839=10, 1254/3.0=9...(24) HB2 GLU 81 + H GLY 78 OK 58 94 - 61 - 9994/3.6=30...(8) HG LEU 95 + H GLY 78 OK 42 72 - 59 - ~8708=12, ~8708=9...(16) HG3 ARG 140 + H GLY 78 OK 32 96 - 33 - 2.9/8691=10, 2.9/8691=9...(5) HB2 PRO 12 - H GLY 78 OK 19 68 - 28 - 1.8/91=8, 2.3/75=5...(6) HB ILE 83 - H GLY 78 OK 18 94 - 19 - 11567/9979=5, ~10012=3...(5) HD2 LYS 36 - H GLY 78 poor 9 68 - 13 - 10782=2, 9994/3.6=2...(5) Peak 8698 from nnoeabs.peaks (1.49, 8.34, 110.56 ppm; 5.31 A): 1 out of 5 assignments used, quality = 0.47: HD3 LYS 114 + H GLY 78 OK 47 100 - 47 - 2.9/8702=43, 3802/9979=4 HB3 LEU 29 - H GLY 78 lone 6 100 - 6 - 3772/8702=4 HG13 ILE 101 - H GLY 78 lone 5 100 - 5 - 3772/8702=3 QB ALA 134 - H GLY 78 lone 3 85 - 3 - 3772/8702=2 HG2 LYS 34 - H GLY 78 lone 3 85 - 3 - 3772/8702=2 Peak 8700 from nnoeabs.peaks (0.78, 8.34, 110.56 ppm; 3.58 A): 4 out of 5 assignments used, quality = 0.94: QG2 THR 74 + H GLY 78 OK 68 94 - 73 - 3.2/8692=26, 2.1/8693=17...(16) QD2 LEU 126 + H GLY 78 OK 52 68 - 78 - 2.1/9497=22, ~8704=13...(19) QD1 LEU 79 + H GLY 78 OK 38 98 - 39 - 2397/4.4=9, ~8711=6...(13) QD2 LEU 95 + H GLY 78 OK 36 100 - 36 - ~8708=5, 8705/3.0=5...(16) QD2 LEU 72 - H GLY 78 poor 10 62 - 15 - 8620/11722=2...(8) Peak 8701 from nnoeabs.peaks (0.65, 8.34, 110.56 ppm; 3.81 A): 0 out of 2 assignments used, low quality = 0.00: QD2 LEU 66 - H GLY 78 poor 8 72 - 10 - 8686/3.6=8 QD2 LEU 39 - H GLY 78 lone 7 77 - 9 - 8686/3.6=7, ~10975=2 Peak 8702 from nnoeabs.peaks (0.44, 8.34, 110.56 ppm; 4.21 A): 0 out of 1 assignment used, low quality = 0.19: HG2 LYS 114 - H GLY 78 OK 19 92 - 21 - 2.9/8698=16, 10250/9497=4 Peak 8703 from nnoeabs.peaks (0.12, 8.34, 110.56 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.68: QG1 VAL 73 + H GLY 78 OK 68 89 - 77 - 8561=37, 8713/4.4=22...(12) Peak 8713 from nnoeabs.peaks (0.12, 8.82, 121.54 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.59: QG1 VAL 73 + H LEU 79 OK 59 89 - 66 - 8562=34, 8703/4.4=17...(8) Peak 8775 from nnoeabs.peaks (0.67, 7.33, 120.34 ppm; 5.37 A): 3 out of 4 assignments used, quality = 0.99: QD2 LEU 66 + H GLU 81 OK 90 100 - 90 - 9910=41, 1914/3.4=16...(24) QD1 ILE 83 + H GLU 81 OK 73 92 - 80 - 10028/3.5=25...(15) QD2 LEU 39 + H GLU 81 OK 50 100 - 50 - 2.1/8133=17, 862/3.6=10...(13) HB3 LEU 116 - H GLU 81 OK 20 77 - 26 - 3.1/10220=9, 8742/3.6=4...(8) Peak 8776 from nnoeabs.peaks (0.42, 7.33, 120.34 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.96: QG2 VAL 82 + H GLU 81 OK 96 100 - 96 - 6896/3.4=39, 9977=29...(27) Peak 8777 from nnoeabs.peaks (1.35, 7.33, 120.34 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.55: HD3 LYS 76 + H GLU 81 OK 38 100 - 38 - 11718/8776=15...(7) HB3 ARG 49 + H GLU 81 OK 28 100 - 28 - 9949/4.4=6, 1258/4.0=5...(8) QB ALA 60 - H GLU 81 lone 4 92 - 4 - Peak 8778 from nnoeabs.peaks (1.57, 7.33, 120.34 ppm; 4.58 A): 5 out of 9 assignments used, quality = 0.93: HB2 LEU 66 + H GLU 81 OK 71 100 - 72 - 3.1/9910=28, 3.9/6881=8...(21) HB2 LEU 126 + H GLU 81 OK 33 100 - 33 - 3.1/6874=10, 4280/4.2=5...(10) HG2 ARG 109 + H GLU 81 OK 33 96 - 34 - 2.8/6878=3, 3.0/6870=3...(16) HG3 ARG 109 + H GLU 81 OK 30 85 - 35 - 2.8/6878=3, 3.0/6870=3...(16) HD2 LYS 85 + H GLU 81 OK 26 100 - 26 - 11570/4.9=10, 8786/4.9=6...(5) HD3 LYS 85 - H GLU 81 OK 24 96 - 25 - 11570/4.9=8, 11569/4.9=8...(5) HG2 ARG 145 - H GLU 81 OK 19 100 - 19 - 4.0/10521=8, 3.0/6870=3 HG3 ARG 145 - H GLU 81 OK 19 100 - 19 - 4.0/10521=8, 3.0/6870=3 HG3 ARG 124 - H GLU 81 OK 13 92 - 14 - 11073/4.2=6...(4) Peak 8792 from nnoeabs.peaks (0.75, 7.63, 118.66 ppm; 3.66 A): 2 out of 5 assignments used, quality = 0.94: QG2 VAL 73 + H VAL 82 OK 89 100 - 89 - 8594/3.2=30...(16) QD1 LEU 108 + H VAL 82 OK 47 92 - 51 - ~8815=17, ~8798=10...(13) QD1 ILE 136 - H VAL 82 OK 28 100 - 28 - 10454/3.4=8, 9686/3.2=4...(7) QD2 LEU 72 - H VAL 82 OK 16 94 - 17 - 8814/4.0=2, 9955/2.9=2...(5) QD1 LEU 72 - H VAL 82 OK 15 100 - 16 - ~8616=2, ~8800=2...(6) Peak 8793 from nnoeabs.peaks (0.13, 7.63, 118.66 ppm; 4.03 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8817 from nnoeabs.peaks (1.25, 7.63, 118.66 ppm; 4.32 A): 4 out of 5 assignments used, quality = 0.60: HB2 LEU 132 + H VAL 82 OK 35 81 - 43 - 11009/3.2=14...(11) HB3 LEU 97 + H VAL 82 OK 15 94 - 16 - 11009/3.2=4, 8816/2.9=2...(5) QG2 THR 99 + H VAL 82 OK 15 89 - 17 - 11009/3.2=4, 10118/3.6=3...(5) HG3 LYS 61 + H VAL 82 OK 14 89 - 15 - 11009/3.2=4, ~8816=4...(5) HG2 LYS 61 - H VAL 82 poor 7 62 - 12 - 8816/2.9=3, ~8816=3...(4) Peak 8841 from nnoeabs.peaks (4.25, 6.64, 110.66 ppm; 4.57 A): 3 out of 7 assignments used, quality = 0.74: HA ALA 135 + HD21 ASN 84 OK 61 92 - 67 - 2.1/9659=35, 10445=30...(4) HA SER 138 + HD21 ASN 84 OK 23 81 - 28 - 10349/4.5=14...(4) HB THR 99 + HD21 ASN 84 OK 13 77 - 16 - ~10153=6, ~10152=5, 8843/1.7=4 HA2 GLY 50 - HD21 ASN 84 lone 3 89 - 4 - 10651/10650=2 HA GLU 142 - HD21 ASN 84 lone 1 98 - 1 - HB THR 92 - HD21 ASN 84 lone 1 85 - 1 - HA ARG 141 - HD21 ASN 84 lone 0 57 - 1 - Peak 8842 from nnoeabs.peaks (4.04, 6.64, 110.66 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.59: HA GLN 25 + HD21 ASN 84 OK 41 99 - 42 - 10771=22, 8844/1.7=19 HA VAL 63 + HD21 ASN 84 OK 21 72 - 29 - 8844/1.7=12, 2561/3.5=7...(5) HD2 PRO 33 + HD21 ASN 84 OK 12 72 - 16 - 8844/1.7=7, 10041/4.5=4...(4) Peak 8843 from nnoeabs.peaks (4.26, 7.43, 110.66 ppm; 5.31 A): 4 out of 7 assignments used, quality = 0.95: HA ALA 135 + HD22 ASN 84 OK 81 100 - 81 - 10445/1.7=44, ~9659=41...(4) HA SER 138 + HD22 ASN 84 OK 43 98 - 44 - 10349/4.5=24...(5) HB THR 99 + HD22 ASN 84 OK 30 96 - 31 - 3.0/10152=9, 2.1/10153=9...(4) HA LEU 95 + HD22 ASN 84 OK 27 77 - 36 - 4.0/8847=29, 9062/3.5=5 HA ARG 49 - HD22 ASN 84 poor 8 72 - 12 - 3.0/8846=8, 1241/8846=1 HA2 GLY 50 - HD22 ASN 84 lone 5 100 - 5 - 8841/1.7=1 HA GLU 142 - HD22 ASN 84 lone 1 81 - 2 - Peak 8844 from nnoeabs.peaks (4.04, 7.43, 110.66 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.52: HA GLN 25 + HD22 ASN 84 OK 32 99 - 32 - 10771/1.7=27, 10041/4.5=6 HA VAL 63 + HD22 ASN 84 OK 20 72 - 28 - 8842/1.7=11, 2561/3.5=7...(5) HD2 PRO 33 + HD22 ASN 84 OK 12 72 - 16 - 8842/1.7=6, 10041/4.5=4...(4) Peak 8845 from nnoeabs.peaks (1.53, 7.43, 110.66 ppm; 3.65 A): 4 out of 8 assignments used, quality = 0.84: QB ALA 135 + HD22 ASN 84 OK 70 99 - 70 - 9659/1.7=36, ~10445=15...(9) HG3 LYS 76 + HD22 ASN 84 OK 21 100 - 21 - 3.0/8846=7, 8848/1.7=5...(7) HG3 LYS 85 + HD22 ASN 84 OK 19 94 - 21 - 5.1/10030=7, 10044/3.5=4...(5) HD2 LYS 76 + HD22 ASN 84 OK 19 99 - 19 - 1.8/8846=7, 8848/1.7=4...(7) HG2 LYS 93 - HD22 ASN 84 lone 7 100 - 7 - 8848/1.7=1, 8851/3.5=1 HB2 LEU 29 - HD22 ASN 84 lone 7 100 - 7 - 8848/1.7=2, 10044/3.5=1 HG3 PRO 57 - HD22 ASN 84 lone 5 89 - 5 - 8848/1.7=1 HB2 LYS 123 - HD22 ASN 84 lone 5 81 - 6 - 10044/3.5=1, 10034/4.5=1 Peak 8846 from nnoeabs.peaks (1.34, 7.43, 110.66 ppm; 5.45 A): 0 out of 3 assignments used, low quality = 0.36: HD3 LYS 76 - HD22 ASN 84 OK 20 96 - 21 - 3.0/8845=7, 1.8/8845=6...(4) QB ALA 60 - HD22 ASN 84 OK 11 100 - 11 - 8319/3360=2, 9851/3320=2...(6) HB3 ARG 49 - HD22 ASN 84 OK 10 99 - 10 - 8854/4.5=3, 10418/6943=2 Peak 8847 from nnoeabs.peaks (0.82, 7.43, 110.66 ppm; 3.04 A): 0 out of 2 assignments used, low quality = 0.36: QD1 LEU 95 - HD22 ASN 84 OK 26 100 - 26 - 8849/1.7=20, 10045/3.5=4...(4) HG LEU 42 - HD22 ASN 84 OK 13 100 - 13 - 8849/1.7=10, 8852/3.5=2 Peak 8848 from nnoeabs.peaks (1.52, 6.64, 110.66 ppm; 3.43 A): 4 out of 9 assignments used, quality = 0.79: QB ALA 135 + HD21 ASN 84 OK 67 100 - 67 - 9659=32, 2.1/10445=14...(9) HG3 LYS 76 + HD21 ASN 84 OK 16 96 - 17 - ~8846=5, 8845/1.7=4...(6) HG3 LYS 85 + HD21 ASN 84 OK 13 100 - 13 - 8845/1.7=4, 10044/3.5=4...(4) HD2 LYS 76 + HD21 ASN 84 OK 13 85 - 15 - ~8846=6, 8845/1.7=4...(5) HB2 LEU 29 - HD21 ASN 84 lone 6 100 - 6 - 8845/1.7=1, 10044/3.5=1 HG2 LYS 93 - HD21 ASN 84 lone 4 96 - 5 - 8845/1.7=1 HB2 LYS 123 - HD21 ASN 84 lone 4 98 - 4 - 10044/3.5=1, 10034/4.5=1 HG3 PRO 57 - HD21 ASN 84 lone 4 100 - 4 - HB2 GLU 122 - HD21 ASN 84 lone 1 77 - 2 - Peak 8849 from nnoeabs.peaks (0.82, 6.64, 110.66 ppm; 3.26 A): 0 out of 2 assignments used, low quality = 0.40: QD1 LEU 95 - HD21 ASN 84 OK 30 96 - 31 - 8847/1.7=24, 10045/3.5=6 HG LEU 42 - HD21 ASN 84 OK 15 94 - 15 - 8847/1.7=12, 8852/3.5=2 Peak 8856 from nnoeabs.peaks (1.54, 8.89, 119.41 ppm; 3.80 A): 7 out of 8 assignments used, quality = 0.80: QB ALA 135 + H ASN 84 OK 26 62 - 42 - 10452=12, 9659/5.7=6...(10) HD2 LYS 76 + H ASN 84 OK 24 94 - 26 - 9995/3.2=4, 9998/4.3=3...(12) HG3 LYS 76 + H ASN 84 OK 23 81 - 29 - 9995/3.2=3, 10017/4.3=3...(15) HB3 LEU 79 + H ASN 84 OK 22 77 - 28 - 9995/3.2=6, 3.0/6918=6...(8) HG2 ARG 55 + H ASN 84 OK 18 96 - 19 - 1.8/10611=7, 10611=6...(5) HG3 ARG 55 + H ASN 84 OK 17 92 - 19 - 1.8/10611=7, 10611=6...(5) HG2 LYS 93 + H ASN 84 OK 14 81 - 17 - 9995/3.2=3, 9998/4.3=2...(5) HB2 LEU 29 - H ASN 84 lone 6 68 - 9 - ~8071=2, 9998/4.3=1 Peak 8857 from nnoeabs.peaks (0.41, 8.89, 119.41 ppm; 5.14 A): 3 out of 3 assignments used, quality = 0.81: QG2 VAL 82 + H ASN 84 OK 65 68 - 96 - 3.2/6898=30, ~6907=29...(26) QD2 LEU 132 + H ASN 84 OK 40 85 - 47 - 10018/2545=11...(13) HG3 LYS 123 + H ASN 84 OK 11 57 - 18 - 3.7/6919=4...(7) Peak 8859 from nnoeabs.peaks (1.79, 7.43, 110.66 ppm; 6.80 A): 4 out of 9 assignments used, quality = 0.60: HB3 LYS 24 + HD22 ASN 84 OK 28 98 - 28 - 11352=12, 1.8/11349=10 HD2 LYS 34 + HD22 ASN 84 OK 21 100 - 21 - 5.8/6942=11, 548/5.7=4...(5) HD3 LYS 34 + HD22 ASN 84 OK 20 100 - 20 - 5.8/6942=11, 548/5.7=4 HG LEU 72 + HD22 ASN 84 OK 11 92 - 12 - 5.3/10030=5...(3) HG2 PRO 57 - HD22 ASN 84 lone 8 89 - 9 - 1.8/8845=2, ~8848=2 HB3 MET 59 - HD22 ASN 84 poor 8 62 - 13 - 4.8/8846=10 HB2 ARG 124 - HD22 ASN 84 lone 7 89 - 7 - 9481/8766=4 HD3 LYS 86 - HD22 ASN 84 lone 4 92 - 4 - HB3 ARG 145 - HD22 ASN 84 lone 3 100 - 3 - Peak 8863 from nnoeabs.peaks (2.17, 8.56, 116.66 ppm; 6.31 A): 3 out of 4 assignments used, quality = 0.93: HB3 LYS 86 + H LYS 85 OK 85 98 - 87 - 4.0/6967=44, 4.6/8865=33...(8) HB3 PRO 57 + H LYS 85 OK 34 92 - 37 - 10587=9, 8861/3.0=8...(11) HG2 PRO 129 + H LYS 85 OK 28 100 - 28 - 6981/4.7=13, 4397/8867=5...(6) HB2 GLN 25 - H LYS 85 lone 8 89 - 9 - 2673/8867=2, 6981/4.7=2 Peak 8865 from nnoeabs.peaks (8.13, 8.56, 116.66 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.62: H LEU 87 + H LYS 85 OK 57 81 - 70 - 4.7/6967=24, 3.6/8867=18...(11) H TYR 115 + H LYS 85 OK 13 92 - 14 - 6988/4.7=3, 8829/10037=2...(6) H SER 138 - H LYS 85 lone 1 62 - 2 - H HIS 14 - H LYS 85 lone 1 85 - 1 - Peak 8866 from nnoeabs.peaks (8.89, 7.55, 117.50 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.87: H ASN 84 + H LYS 86 OK 81 100 - 81 - 3.1/6967=39, 2.9/8839=32...(8) H LYS 34 + H LYS 86 OK 30 100 - 30 - 10797/4.9=6, 6952/4.7=4...(13) Peak 8868 from nnoeabs.peaks (1.25, 7.55, 117.50 ppm; 4.33 A): 0 out of 6 assignments used, low quality = 0.41: HB3 LEU 97 - H LYS 86 OK 22 100 - 22 - 3.2/9103=6, 1.8/11672=6...(6) HB2 LEU 132 - H LYS 86 OK 16 94 - 17 - 1.8/6980=3, 3.0/6982=3...(7) HG3 LYS 61 - H LYS 86 OK 11 98 - 11 - 3.0/11672=2, 3.0/11672=2 HG2 LYS 61 - H LYS 86 lone 8 81 - 10 - 3.0/11672=2, 3.0/11672=2 QG2 THR 99 - H LYS 86 lone 8 98 - 8 - 8949/10069=2, 10164/4.9=1 QG2 THR 102 - H LYS 86 poor 7 68 - 10 - 2.1/6970=3, 3.2/6970=2 Peak 8869 from nnoeabs.peaks (0.86, 7.55, 117.50 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.96: QG2 ILE 83 + H LYS 86 OK 88 100 - 88 - 3.2/10048=47...(18) QD2 LEU 97 + H LYS 86 OK 44 85 - 52 - 3.1/8868=14...(11) QD1 LEU 64 + H LYS 86 OK 39 100 - 40 - 8376/10048=21...(11) QG2 ILE 56 - H LYS 86 lone 8 89 - 9 - HB3 LEU 42 - H LYS 86 lone 6 77 - 7 - 2500/10048=2, 9435/8872=1 Peak 8870 from nnoeabs.peaks (0.71, 7.55, 117.50 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 87 + H LYS 86 OK 70 100 - 70 - 4.8/6990=17, 8904/3.6=15...(12) QD1 LEU 87 + H LYS 86 OK 69 99 - 70 - 4.4/6990=20, 8860/3.6=13...(14) Peak 8871 from nnoeabs.peaks (-1.12, 7.55, 117.50 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.70: QG1 VAL 82 + H LYS 86 OK 70 100 - 70 - 8877/4.7=24...(12) Peak 8872 from nnoeabs.peaks (2.78, 7.55, 117.50 ppm; 6.15 A): 2 out of 4 assignments used, quality = 0.84: HB3 ASN 84 + H LYS 86 OK 80 100 - 80 - 3.0/8839=44, 4.7/6967=42...(5) HB3 TYR 119 + H LYS 86 OK 20 100 - 20 - 6955/4.7=8, 2549/8839=5...(4) HB2 ASP 41 - H LYS 86 lone 8 94 - 8 - 6955/4.7=3, 2549/8839=2 HG3 GLN 111 - H LYS 86 lone 7 100 - 7 - 6955/4.7=2, 2549/8839=2 Peak 8876 from nnoeabs.peaks (0.42, 8.12, 116.88 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 82 + H LEU 87 OK 92 100 - 92 - 2.1/8877=42, 8831=31...(18) Peak 8877 from nnoeabs.peaks (-1.12, 8.12, 116.88 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.81: QG1 VAL 82 + H LEU 87 OK 81 96 - 84 - 8829=26, 2.1/8876=25...(17) Peak 8884 from nnoeabs.peaks (0.39, 7.54, 118.45 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.75: HG3 LYS 123 + H TRP 88 OK 56 100 - 56 - ~8930=13, 2.9/11675=12...(13) QD2 LEU 132 + H TRP 88 OK 44 94 - 47 - 8878/4.6=22, 2.1/11674=7...(9) Peak 8885 from nnoeabs.peaks (-1.10, 7.54, 118.45 ppm; 3.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8887 from nnoeabs.peaks (3.00, 8.12, 116.88 ppm; 3.61 A): 0 out of 4 assignments used, low quality = 0.00: HD3 ARG 35 - H LEU 87 lone 1 81 - 2 - 3.8/6994=1 HB3 HIS 14 - H LEU 87 lone 1 72 - 1 - HE3 LYS 36 - H LEU 87 lone 1 85 - 1 - HE2 LYS 36 - H LEU 87 lone 1 81 - 1 - Peak 8905 from nnoeabs.peaks (4.21, 8.12, 116.88 ppm; 5.39 A): 4 out of 7 assignments used, quality = 0.57: HA ILE 101 + H LEU 87 OK 24 94 - 25 - 3.8/7002=9, 3324/4.0=7...(5) HA PHE 43 + H LEU 87 OK 18 92 - 20 - 10827/4.8=9, 10827/4.4=6 HA LYS 93 + H LEU 87 OK 17 77 - 23 - 3.0/11673=10...(5) HA PHE 67 + H LEU 87 OK 16 77 - 20 - 8413/4.4=10, 8413/4.8=9 HA ALA 134 - H LEU 87 lone 6 99 - 6 - 2.1/6995=3 HA THR 102 - H LEU 87 lone 4 89 - 4 - HA PHE 45 - H LEU 87 lone 3 77 - 4 - Peak 8908 from nnoeabs.peaks (8.57, 8.12, 116.88 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.75: H LYS 85 + H LEU 87 OK 62 85 - 73 - 4.7/6990=25, 8865=22...(11) H LEU 72 + H LEU 87 OK 23 100 - 23 - 8906/4.8=6, 8867/3.6=5...(6) H ASP 40 + H LEU 87 OK 14 100 - 14 - 8867/3.6=2, 8906/4.8=2...(6) Peak 8912 from nnoeabs.peaks (7.91, 9.54, 128.00 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.68: H ILE 83 + HE1 TRP 88 OK 68 72 - 94 - 2.9/8914=43, 4.4/8925=33...(12) H ASN 139 - HE1 TRP 88 lone 3 68 - 4 - 9937/9932=2 Peak 8913 from nnoeabs.peaks (4.78, 9.54, 128.00 ppm; 4.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8914 from nnoeabs.peaks (3.67, 9.54, 128.00 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.79: HA ILE 83 + HE1 TRP 88 OK 79 100 - 79 - 8832=35, 3.2/8923=15...(14) HA THR 92 - HE1 TRP 88 poor 8 68 - 11 - 2539/10024=2...(6) Peak 8915 from nnoeabs.peaks (3.95, 9.54, 128.00 ppm; 5.85 A): 5 out of 7 assignments used, quality = 0.70: HA PHE 106 + HE1 TRP 88 OK 27 89 - 31 - 9232/10215=12...(8) HA3 GLY 94 + HE1 TRP 88 OK 24 94 - 26 - 11698/7.3=9, 4747/2.6=6...(8) HA LYS 48 + HE1 TRP 88 OK 19 99 - 19 - 4747/2.6=5, 8825/8830=3...(8) HA ALA 60 + HE1 TRP 88 OK 19 94 - 20 - ~4705=6, 4747/2.6=3...(8) HD3 PRO 129 + HE1 TRP 88 OK 16 94 - 17 - 4747/2.6=6, 11698/7.3=4...(4) HA LEU 29 - HE1 TRP 88 poor 10 92 - 11 - 4747/2.6=4, 10011/8914=2 HB3 SER 103 - HE1 TRP 88 lone 7 72 - 9 - 9214/10215=4 Peak 8916 from nnoeabs.peaks (3.31, 9.54, 128.00 ppm; 4.33 A): 3 out of 4 assignments used, quality = 0.95: HD3 ARG 109 + HE1 TRP 88 OK 81 100 - 81 - 10739/5.0=14...(23) HB2 TRP 88 + HE1 TRP 88 OK 68 98 - 69 - 5.3=55, 7.3/10064=10...(8) HD2 ARG 124 + HE1 TRP 88 OK 18 96 - 18 - 2841/5.3=4, 5612/2.6=3...(9) HB3 TRP 17 - HE1 TRP 88 lone 4 62 - 6 - 10034/8914=2 Peak 8917 from nnoeabs.peaks (3.09, 9.54, 128.00 ppm; 4.29 A): 0 out of 4 assignments used, low quality = 0.35: HD3 ARG 49 - HE1 TRP 88 OK 28 85 - 32 - 2.9/7025=6, 3.0/10066=5...(9) HA TYR 119 - HE1 TRP 88 OK 10 96 - 11 - 10303/5.3=5, 10012/8914=2 HA2 GLY 78 - HE1 TRP 88 lone 6 92 - 7 - 10012/8914=2 HB3 HIS 10 - HE1 TRP 88 lone 2 77 - 2 - Peak 8918 from nnoeabs.peaks (1.93, 9.54, 128.00 ppm; 3.99 A): 0 out of 11 assignments used, low quality = 0.00: HG3 PRO 12 - HE1 TRP 88 poor 9 81 - 10 - 2.3/8919=3, 2502/8914=2...(4) HB2 ARG 140 - HE1 TRP 88 lone 7 94 - 8 - 2.9/8919=1 HB2 ARG 89 - HE1 TRP 88 lone 7 100 - 7 - HG2 PRO 12 - HE1 TRP 88 lone 6 92 - 6 - 2.3/8919=3 HB3 LEU 132 - HE1 TRP 88 lone 6 85 - 7 - 3.0/10066=1 HB3 GLU 122 - HE1 TRP 88 lone 4 94 - 4 - 4072/8917=2, 3989/8917=1 HB2 MET 59 - HE1 TRP 88 lone 3 62 - 5 - HB2 GLN 62 - HE1 TRP 88 lone 2 92 - 2 - HB2 PRO 118 - HE1 TRP 88 lone 2 72 - 2 - HB3 PRO 52 - HE1 TRP 88 lone 2 100 - 2 - HG2 PRO 52 - HE1 TRP 88 lone 2 99 - 2 - Peak 8919 from nnoeabs.peaks (1.75, 9.54, 128.00 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.95: HB ILE 83 + HE1 TRP 88 OK 93 100 - 93 - 3.0/8914=37...(16) HG LEU 95 + HE1 TRP 88 OK 31 92 - 34 - ~8943=6, ~4706=5...(12) HB2 ARG 49 - HE1 TRP 88 OK 29 85 - 34 - 3.7/8917=18, 3.0/10066=6...(8) HB2 PRO 12 - HE1 TRP 88 OK 20 89 - 22 - 2.3/8918=7, 2.3/8918=5...(7) HG3 ARG 140 - HE1 TRP 88 OK 11 81 - 13 - 2.9/8918=6, 2540/10024=1...(4) HB2 GLU 81 - HE1 TRP 88 lone 6 77 - 7 - 6910/10025=2, 8785/10024=1 Peak 8920 from nnoeabs.peaks (1.55, 9.54, 128.00 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.90: HB3 LEU 79 + HE1 TRP 88 OK 77 100 - 77 - 3.0/8921=30, ~8718=15...(14) HG2 ARG 109 + HE1 TRP 88 OK 58 68 - 85 - 3.9/10531=17...(21) HG3 ARG 55 - HE1 TRP 88 lone 6 100 - 6 - 2384/8921=1, 8941/2.8=1 HG2 ARG 55 - HE1 TRP 88 lone 6 98 - 6 - 2384/8921=1 Peak 8921 from nnoeabs.peaks (1.32, 9.54, 128.00 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.51: HG LEU 79 + HE1 TRP 88 OK 43 72 - 59 - ~8718=12, ~8718=11...(15) HG2 LYS 85 + HE1 TRP 88 OK 15 100 - 15 - 4705/2.8=9, 2501/8914=1 Peak 8922 from nnoeabs.peaks (1.10, 9.54, 128.00 ppm; 4.03 A): 0 out of 2 assignments used, low quality = 0.41: QB ALA 105 - HE1 TRP 88 OK 41 72 - 57 - 4700/2.6=24, 10215=22...(7) HD2 LYS 123 - HE1 TRP 88 poor 8 62 - 12 - 4700/2.6=6, 8927/5.3=3 Peak 8923 from nnoeabs.peaks (0.85, 9.54, 128.00 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.92: QG2 ILE 83 + HE1 TRP 88 OK 86 98 - 88 - 3.2/8914=26, 8836=23...(21) QD2 LEU 97 + HE1 TRP 88 OK 26 99 - 27 - 9112/2.8=16, 9124/8914=3...(6) QD1 LEU 64 + HE1 TRP 88 OK 16 89 - 19 - 8376/8914=5, 9881/5.3=4...(7) QG2 ILE 56 - HE1 TRP 88 lone 2 62 - 3 - Peak 8924 from nnoeabs.peaks (0.68, 9.54, 128.00 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.77: QD1 ILE 83 + HE1 TRP 88 OK 66 81 - 81 - 10024=23, 4.2/8914=20...(17) HB3 LEU 116 + HE1 TRP 88 OK 31 94 - 33 - ~9399=12, ~10222=4...(10) Peak 8925 from nnoeabs.peaks (-1.11, 9.54, 128.00 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.64: QG1 VAL 82 + HE1 TRP 88 OK 64 81 - 79 - 8830=25, 4.4/8912=17...(14) Peak 8934 from nnoeabs.peaks (1.92, 7.54, 118.45 ppm; 4.45 A): 4 out of 13 assignments used, quality = 0.68: HB2 LYS 86 + H TRP 88 OK 33 89 - 37 - 4.6/7008=23, 2.9/11674=9...(4) HG13 ILE 83 + H TRP 88 OK 26 81 - 32 - 3.8/8833=9, 1.8/7012=9...(5) HB2 ARG 89 + H TRP 88 OK 21 92 - 23 - 4.4/7024=21, 8918/7.3=1 HB3 LEU 132 + H TRP 88 OK 18 100 - 18 - 3.2/8884=6, 3.0/11674=4...(5) HB2 MET 59 - H TRP 88 lone 9 96 - 9 - ~2828=2, 10108/10137=1, ~2828=1 HB2 GLN 62 - H TRP 88 lone 8 100 - 8 - 1757/3.6=2, 10886/4.6=2 HG3 PRO 12 - H TRP 88 lone 8 100 - 8 - 8918/7.3=2, 6992/4.6=1 HB ILE 136 - H TRP 88 poor 8 72 - 10 - ~8932=3, ~8932=2 HG2 PRO 12 - H TRP 88 lone 6 100 - 6 - 8918/7.3=1 HB2 ARG 140 - H TRP 88 lone 6 100 - 6 - 7032/7024=1, 8918/7.3=1 HB2 PRO 118 - H TRP 88 lone 4 99 - 4 - HB3 PRO 52 - H TRP 88 lone 2 77 - 2 - HG2 PRO 52 - H TRP 88 lone 1 72 - 2 - Peak 8953 from nnoeabs.peaks (1.43, 7.75, 117.84 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.87: HG12 ILE 91 + H GLU 90 OK 84 92 - 91 - 4.4/7048=32, 2.1/8955=27...(19) HB3 LYS 114 + H GLU 90 OK 24 96 - 25 - 7057/3.5=5, ~7058=3...(11) HG2 LYS 48 - H GLU 90 lone 6 62 - 9 - 10771/8954=1, 3.0/7034=1 Peak 8954 from nnoeabs.peaks (0.72, 7.75, 117.84 ppm; 3.94 A): 3 out of 3 assignments used, quality = 0.79: QD2 LEU 87 + H GLU 90 OK 54 85 - 63 - 8898/3.9=13...(16) QD1 LEU 87 + H GLU 90 OK 43 81 - 53 - 4.0/11690=12...(12) QD2 LEU 108 + H GLU 90 OK 20 81 - 25 - 8810/9976=8, 3.2/10074=3...(10) Peak 8955 from nnoeabs.peaks (0.33, 7.75, 117.84 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.86: QD1 ILE 91 + H GLU 90 OK 79 85 - 92 - 4.5/7048=30, 2.1/8953=26...(27) HG2 LYS 123 + H GLU 90 OK 32 94 - 34 - 10077/3.9=9, 9808/4.6=7...(14) Peak 8956 from nnoeabs.peaks (3.70, 7.75, 117.84 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.96: HA ILE 91 + H GLU 90 OK 94 100 - 94 - 2.9/7048=49, 3.6/7065=39...(15) HA ILE 136 + H GLU 90 OK 40 100 - 41 - 7054/3.5=9, ~8958=6...(13) HB THR 74 - H GLU 90 OK 24 81 - 29 - 2.8/7030=6, 7054/3.5=5...(10) HA THR 107 - H GLU 90 OK 13 94 - 14 - 7054/3.5=4, 2955/10084=1...(6) Peak 8959 from nnoeabs.peaks (0.77, 7.53, 120.51 ppm; 3.79 A): 4 out of 6 assignments used, quality = 0.94: QD2 LEU 72 + H ILE 91 OK 62 85 - 73 - 2.1/9913=19, 8542/4.5=13...(24) QD2 LEU 95 + H ILE 91 OK 61 96 - 63 - 9075/2.9=22, 3151=9...(16) QD1 LEU 72 + H ILE 91 OK 46 68 - 67 - 9913=13, 8541/4.5=9...(24) QD1 ILE 136 + H ILE 91 OK 31 62 - 50 - 8962/2.9=5, 4.2/7054=5...(21) QD1 LEU 79 - H ILE 91 OK 25 85 - 30 - 9075/2.9=8, 8957/3.6=4...(7) QG2 THR 74 - H ILE 91 OK 24 77 - 31 - 2.1/7054=4, 3.0/7046=4...(14) Peak 8960 from nnoeabs.peaks (1.65, 7.53, 120.51 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.99: HD3 LYS 93 + H ILE 91 OK 81 98 - 82 - 6.2/7061=26...(16) HG13 ILE 136 + H ILE 91 OK 75 92 - 82 - ~4636=11, 3.7/7054=11...(26) HB2 LYS 114 + H ILE 91 OK 75 98 - 77 - 3747/4.4=16, ~8964=12...(19) HG2 ARG 140 - H ILE 91 OK 27 89 - 30 - ~7035=7, ~7032=5...(7) HB3 LEU 26 - H ILE 91 OK 19 85 - 22 - ~7066=5, 3.0/7049=4...(6) HB2 PRO 57 - H ILE 91 OK 14 99 - 14 - ~8963=3, 8352/7056=1 Peak 9000 from nnoeabs.peaks (7.22, 7.53, 120.51 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.70: H GLU 37 + H ILE 91 OK 52 89 - 58 - 8998/4.0=19, 8993/4.5=15...(13) QD PHE 45 + H ILE 91 OK 37 100 - 37 - 8998/4.0=12, 8993/4.5=8...(10) HE3 TRP 17 - H ILE 91 lone 7 94 - 7 - 10086/9005=2, 9004/3.5=1 Peak 9004 from nnoeabs.peaks (7.21, 8.67, 113.41 ppm; 4.63 A): 5 out of 5 assignments used, quality = 0.80: H GLU 37 + H THR 92 OK 48 99 - 48 - 8998/4.3=17...(8) HE3 TRP 88 + H THR 92 OK 34 81 - 42 - 8998/4.3=12, 5.1/7063=9...(9) QD PHE 45 + H THR 92 OK 23 85 - 27 - 8998/4.3=9, 9000/3.5=6...(5) QD TYR 27 + H THR 92 OK 13 85 - 16 - 8998/4.3=4, 4.6/10094=3...(5) HE3 TRP 17 + H THR 92 OK 12 96 - 13 - 10086/3.9=8, 8998/4.3=1 Peak 9007 from nnoeabs.peaks (5.02, 8.67, 113.41 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.81: * HG1 THR 92 + H THR 92 OK 81 100 - 81 - 5.0=37, 3.0/3005=25...(15) Peak 9010 from nnoeabs.peaks (5.03, 7.62, 120.75 ppm; 4.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9012 from nnoeabs.peaks (0.77, 8.67, 113.41 ppm; 3.76 A): 6 out of 6 assignments used, quality = 0.93: QD2 LEU 95 + H THR 92 OK 56 96 - 58 - 9075/3.6=18, 8959/3.5=6...(19) QD2 LEU 72 + H THR 92 OK 54 85 - 63 - ~10230=9, 8962/3.6=8...(23) QD1 LEU 72 + H THR 92 OK 40 68 - 60 - 10230/2.9=9, 9913/3.5=7...(20) QD1 ILE 136 + H THR 92 OK 26 62 - 41 - 9018/2.9=5, 8962/3.6=5...(15) QG2 THR 74 + H THR 92 OK 14 77 - 19 - 3.0/7063=3, 2.1/7068=3...(7) QD1 LEU 79 + H THR 92 OK 14 85 - 16 - 9075/3.6=6, 8959/3.5=3 Peak 9013 from nnoeabs.peaks (1.66, 8.67, 113.41 ppm; 4.34 A): 4 out of 13 assignments used, quality = 0.96: HD3 LYS 93 + H THR 92 OK 68 81 - 84 - 3.4/10092=18...(25) HB2 LEU 95 + H THR 92 OK 65 99 - 66 - 3.1/9012=10, ~9016=9...(21) HG13 ILE 136 + H THR 92 OK 41 92 - 45 - 3.7/7068=6, 2.1/9012=5...(14) HG2 ARG 89 + H THR 92 OK 40 99 - 41 - 3.8/7064=25, 2.8/9014=7...(7) HD2 LYS 48 - H THR 92 OK 24 99 - 24 - ~3067=6, ~7092=4...(8) HB2 LYS 114 - H THR 92 OK 23 81 - 28 - 2.9/7072=7, 1.8/7071=5...(8) HD3 LYS 48 - H THR 92 OK 16 81 - 20 - 3067/3.2=4, ~7092=3...(7) HG2 ARG 140 - H THR 92 OK 13 94 - 14 - 4733/7064=4, 7093/3.2=1...(4) HB2 MET 68 - H THR 92 OK 10 100 - 10 - 4.2/9014=2, 8430/9012=1 HG2 ARG 124 - H THR 92 lone 7 100 - 7 - ~11617=1 HB VAL 71 - H THR 92 lone 6 99 - 6 - HB2 PRO 57 - H THR 92 lone 5 77 - 7 - 7093/3.2=1 HB2 ARG 145 - H THR 92 lone 3 94 - 3 - Peak 9014 from nnoeabs.peaks (1.91, 8.67, 113.41 ppm; 4.14 A): 4 out of 12 assignments used, quality = 0.94: HB3 ARG 89 + H THR 92 OK 63 92 - 69 - 3.0/7064=28, 4.4/7065=21...(14) HG13 ILE 83 + H THR 92 OK 51 96 - 53 - 2531/2.9=9, ~2523=7...(14) HB ILE 136 + H THR 92 OK 49 99 - 49 - 3.0/7068=7, 4604/3.6=6...(19) HB3 LEU 69 + H THR 92 OK 34 100 - 34 - ~9883=11, 3.2/7076=5...(10) QE MET 68 - H THR 92 OK 22 100 - 22 - 8451/2.9=7, 8423/3.9=4...(7) HB2 LYS 24 - H THR 92 OK 21 92 - 23 - 11577/4.3=4, ~3056=3...(9) HB ILE 101 - H THR 92 OK 17 94 - 18 - 10127/10104=4...(6) HB2 MET 59 - H THR 92 OK 15 81 - 19 - 9025/3.9=3, 3.0/7069=3...(8) HG3 PRO 12 - H THR 92 OK 14 62 - 23 - ~82=4, 2.3/7074=4, ~90=4...(9) HB2 LYS 86 - H THR 92 lone 6 92 - 7 - ~10050=3, ~9016=1 HB2 PRO 118 - H THR 92 lone 6 72 - 8 - 2.3/7064=2 HB3 GLN 111 - H THR 92 lone 6 85 - 6 - Peak 9034 from nnoeabs.peaks (0.88, 7.62, 120.75 ppm; 5.57 A): 4 out of 7 assignments used, quality = 0.99: QD1 LEU 97 + H LYS 93 OK 86 100 - 86 - 9130/4.4=30, 9116/3.6=27...(22) QG2 ILE 136 + H LYS 93 OK 78 100 - 78 - ~10458=18, 10456/3.2=16...(26) QG2 ILE 101 + H LYS 93 OK 54 100 - 54 - 9019/4.7=5, 3337/2.9=4...(27) QD1 ILE 101 + H LYS 93 OK 49 98 - 50 - 3361/2.9=4, 4.1/7087=4...(25) HB3 LEU 42 - H LYS 93 OK 18 77 - 24 - 9019/4.7=7, 9027/4.4=6...(6) QG2 ILE 56 - H LYS 93 OK 18 62 - 28 - ~11040=5, 9027/4.4=4...(9) QG2 VAL 80 - H LYS 93 OK 15 72 - 20 - 8753/5.1=2, 8958/2914=2...(8) Peak 9035 from nnoeabs.peaks (0.76, 7.62, 120.75 ppm; 4.23 A): 3 out of 5 assignments used, quality = 0.96: QD1 LEU 72 + H LYS 93 OK 72 100 - 72 - 8545/3.2=20...(20) QD2 LEU 72 + H LYS 93 OK 61 100 - 61 - 8546/3.2=21, ~8545=12...(13) QD1 ILE 136 + H LYS 93 OK 61 99 - 62 - ~10458=9, 2.1/3078=9...(21) QG2 VAL 73 - H LYS 93 OK 36 98 - 37 - 9922=6, 8596/5.1=5...(11) QD1 LEU 108 - H LYS 93 OK 26 68 - 39 - 10553/3.2=12, 9259/4.7=8...(10) Peak 9038 from nnoeabs.peaks (3.99, 7.62, 120.75 ppm; 4.40 A): 0 out of 8 assignments used, low quality = 0.40: HA LYS 114 - H LYS 93 OK 19 85 - 23 - 3736/5.1=4, 3.0/7093=3...(9) HA LEU 69 - H LYS 93 OK 17 89 - 19 - 4.1/7086=3, ~9014=2...(6) HB3 SER 127 - H LYS 93 OK 10 100 - 10 - 10262/4.1=4, 10159/10154=2 HA GLU 122 - H LYS 93 poor 9 85 - 10 - HB3 SER 138 - H LYS 93 lone 7 89 - 8 - 9722/4.1=2...(3) HB2 SER 138 - H LYS 93 lone 7 89 - 8 - 9722/4.1=2...(3) HA GLU 75 - H LYS 93 lone 4 81 - 5 - 9958/9035=1 HA MET 113 - H LYS 93 lone 4 85 - 5 - Peak 9044 from nnoeabs.peaks (8.07, 7.81, 108.31 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.69: H ASN 96 + H GLY 94 OK 69 96 - 72 - 10090/3.6=31...(9) Peak 9045 from nnoeabs.peaks (8.70, 7.81, 108.31 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.17: H VAL 53 - H GLY 94 OK 17 89 - 19 - 10093/4.7=9, ~7080=4...(4) H ASN 130 - H GLY 94 lone 5 68 - 7 - 10093/4.7=3, 10092/4.7=1 Peak 9047 from nnoeabs.peaks (1.15, 7.81, 108.31 ppm; 5.00 A): 3 out of 6 assignments used, quality = 0.99: QG2 THR 92 + H GLY 94 OK 94 100 - 94 - 10087=38, 3009/3.2=32...(24) HB2 LEU 72 + H GLY 94 OK 58 72 - 80 - 3.2/8546=26, 3.1/8545=25...(18) HG2 LYS 76 + H GLY 94 OK 46 81 - 56 - 10090/3.6=14...(15) QD1 LEU 69 - H GLY 94 OK 25 72 - 34 - 7086/3.2=5, 9058/4.7=4...(13) HG LEU 64 - H GLY 94 poor 10 62 - 16 - 8969/9001=4, 10090/3.6=3...(5) QG2 THR 18 - H GLY 94 poor 7 68 - 11 - 10863/4.7=4...(4) Peak 9048 from nnoeabs.peaks (0.94, 7.81, 108.31 ppm; 5.63 A): 3 out of 3 assignments used, quality = 0.88: QG2 ILE 91 + H GLY 94 OK 78 89 - 88 - 3.2/9001=32, 10082=26...(16) HB2 LEU 108 + H GLY 94 OK 26 94 - 28 - 9057/4.7=5, 4.4/7298=3...(10) QG2 VAL 63 + H GLY 94 OK 25 89 - 28 - 2.1/9832=8, 9057/4.7=5...(5) Peak 9049 from nnoeabs.peaks (0.77, 7.81, 108.31 ppm; 3.29 A): 4 out of 6 assignments used, quality = 0.84: QD2 LEU 72 + H GLY 94 OK 52 85 - 61 - 2.1/8545=15, 8546=14...(16) QD1 LEU 72 + H GLY 94 OK 36 68 - 54 - 2.1/8546=16, 8545=10...(16) QD2 LEU 95 + H GLY 94 OK 33 96 - 34 - 4.9/7112=10, 8732/3.0=5...(10) QD1 ILE 136 + H GLY 94 OK 21 62 - 34 - 2.5/10458=9, 2.1/7105=4...(12) QD1 LEU 79 - H GLY 94 poor 9 85 - 10 - 7119/4.7=3, 7128/9044=2 QG2 THR 74 - H GLY 94 lone 4 77 - 5 - 7119/4.7=1 Peak 9057 from nnoeabs.peaks (0.94, 7.54, 118.97 ppm; 4.46 A): 0 out of 3 assignments used, low quality = 0.30: QG2 ILE 91 - H LEU 95 OK 30 68 - 44 - 9048/4.7=10, 3.2/2945=7...(9) QG2 VAL 63 - H LEU 95 lone 6 68 - 10 - 9048/4.7=3 HB2 LEU 108 - H LEU 95 lone 6 77 - 8 - 9048/4.7=3 Peak 9058 from nnoeabs.peaks (1.15, 7.54, 118.97 ppm; 4.69 A): 5 out of 6 assignments used, quality = 0.91: QG2 THR 92 + H LEU 95 OK 76 100 - 76 - 10087/4.7=21, 9005=12...(22) HB2 LEU 72 + H LEU 95 OK 26 72 - 36 - 3.1/9913=11, 9063/3.0=5...(9) QD1 LEU 69 + H LEU 95 OK 24 72 - 33 - 9063/3.0=5, 9074/4.8=5...(9) HG2 LYS 76 + H LEU 95 OK 20 81 - 24 - 9047/4.7=4, 9089/4.6=3...(10) HG LEU 64 + H LEU 95 OK 12 62 - 19 - 9074/4.8=3, 9074/7120=2...(9) QG2 THR 18 - H LEU 95 lone 3 68 - 5 - Peak 9060 from nnoeabs.peaks (1.90, 7.54, 118.97 ppm; 4.55 A): 9 out of 10 assignments used, quality = 0.94: HB3 LYS 93 + H LEU 95 OK 60 96 - 62 - 4.7/7112=24, 4.1/7081=9...(14) QE MET 68 + H LEU 95 OK 35 85 - 41 - ~10942=10, 8420/3.0=9...(10) HB3 LEU 69 + H LEU 95 OK 26 92 - 29 - 8470/4.8=5, ~9063=4...(10) HB3 ARG 89 + H LEU 95 OK 26 100 - 26 - 3.0/10069=6, 4.4/7029=4...(8) HB3 ARG 140 + H LEU 95 OK 19 98 - 19 - 3.0/7115=2, 4724/3.0=2...(5) HB ILE 136 + H LEU 95 OK 18 62 - 29 - 10458/4.7=6, 10109/3.5=5...(8) HB3 ARG 141 + H LEU 95 OK 14 89 - 15 - 7101/4.7=3, 10127/9098=2...(6) HB ILE 101 + H LEU 95 OK 13 99 - 13 - 10127/9098=3...(6) HB2 LYS 24 + H LEU 95 OK 12 100 - 12 - 7101/4.7=3, 10109/3.5=2 HB3 GLN 111 - H LEU 95 lone 5 100 - 5 - Peak 9086 from nnoeabs.peaks (3.66, 8.08, 116.13 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.83: HA THR 92 + H ASN 96 OK 63 94 - 67 - 4.8/10090=18...(14) HA ILE 83 + H ASN 96 OK 46 94 - 49 - 9061/3.6=16, 3.0/7127=8...(15) HD3 PRO 12 + H ASN 96 OK 15 72 - 20 - 3.0/7127=5, 11415/4.6=4...(7) Peak 9087 from nnoeabs.peaks (3.96, 8.08, 116.13 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.63: HA3 GLY 94 + H ASN 96 OK 57 100 - 57 - 3.5/7121=34, 3.0/9044=28...(4) HA ALA 60 + H ASN 96 OK 13 100 - 13 - 4.9/10126=4, 7114/4.6=3...(5) HA LYS 48 - H ASN 96 lone 9 98 - 9 - 4.8/7124=2, 7114/4.6=1 HB3 SER 103 - H ASN 96 lone 6 99 - 6 - 10152/10090=2 HA PHE 106 - H ASN 96 lone 6 100 - 6 - HA3 GLY 143 - H ASN 96 lone 2 68 - 3 - 9754/3.6=1 Peak 9088 from nnoeabs.peaks (1.27, 8.08, 116.13 ppm; 4.84 A): 5 out of 7 assignments used, quality = 0.86: HB3 LEU 97 + H ASN 96 OK 66 81 - 81 - 4.0/7149=40...(7) QG2 THR 102 + H ASN 96 OK 28 100 - 28 - 3.2/11692=6, ~9085=6...(9) QG2 THR 99 + H ASN 96 OK 21 89 - 23 - 10154/10091=6...(10) QB ALA 104 + H ASN 96 OK 19 72 - 27 - 10088/9089=7...(8) HG2 LYS 61 + H ASN 96 OK 10 100 - 10 - 7157/4.6=3, 3219/10138=2 HG3 LYS 61 - H ASN 96 lone 9 89 - 10 - 7157/4.6=3, 3219/10138=2 HB2 LEU 132 - H ASN 96 lone 8 94 - 9 - 9593/10133=2, 7157/4.6=1...(4) Peak 9089 from nnoeabs.peaks (1.16, 8.08, 116.13 ppm; 4.90 A): 4 out of 4 assignments used, quality = 0.90: QG2 THR 92 + H ASN 96 OK 72 92 - 78 - 4.4/10091=25...(17) HG2 LYS 76 + H ASN 96 OK 29 100 - 29 - 10090/10090=6...(11) QD1 LEU 69 + H ASN 96 OK 29 99 - 30 - 9063/3.6=8, 9893/4.6=5...(9) HB2 LEU 72 + H ASN 96 OK 25 99 - 25 - 9063/3.6=9, 9058/4.6=3...(8) Peak 9094 from nnoeabs.peaks (0.91, 7.60, 113.11 ppm; 6.57 A): 0 out of 7 assignments used, low quality = 0.00: QG1 VAL 63 - HD22 ASN 96 lone 8 94 - 9 - 10935/3.5=5, 10932/3.5=2 QG2 ILE 91 - HD22 ASN 96 lone 5 72 - 6 - ~8994=4 HB2 LEU 108 - HD22 ASN 96 lone 3 62 - 4 - 10399/3.5=2 QG2 VAL 63 - HD22 ASN 96 lone 2 72 - 3 - QD2 LEU 29 - HD22 ASN 96 lone 2 100 - 2 - HB2 LEU 64 - HD22 ASN 96 lone 2 98 - 2 - QG1 VAL 53 - HD22 ASN 96 lone 2 92 - 2 - Peak 9097 from nnoeabs.peaks (7.83, 8.08, 116.13 ppm; 4.01 A): 0 out of 6 assignments used, low quality = 0.00: H TRP 17 - H ASN 96 lone 8 92 - 8 - ~10861=8 H LEU 26 - H ASN 96 lone 3 100 - 3 - H TYR 27 - H ASN 96 lone 2 85 - 3 - H THR 110 - H ASN 96 lone 2 94 - 2 - H SER 44 - H ASN 96 lone 2 68 - 3 - 4.5/7131=1 H ARG 55 - H ASN 96 lone 1 85 - 1 - Peak 9098 from nnoeabs.peaks (7.54, 7.65, 117.93 ppm; 3.65 A): 3 out of 3 assignments used, quality = 0.67: H LEU 95 + H LEU 97 OK 55 100 - 55 - 4.6/7149=20...(9) H TRP 88 + H LEU 97 OK 16 100 - 16 - 10137/5.0=4, 7123/4.6=3...(5) H ILE 91 + H LEU 97 OK 14 98 - 14 - 7123/4.6=3, 10137/5.0=3...(6) Peak 9099 from nnoeabs.peaks (4.24, 7.65, 117.93 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.85: HB THR 92 + H LEU 97 OK 62 100 - 62 - 3.0/9101=12...(14) HA ARG 141 + H LEU 97 OK 38 99 - 38 - 3.0/10127=5, 3.8/7158=5...(12) HB THR 102 + H LEU 97 OK 26 89 - 29 - 3376/4.0=4, 9085/3.6=4...(11) HA GLU 142 + H LEU 97 OK 14 94 - 15 - 9106/4.0=2, 9109/4.0=2...(7) Peak 9100 from nnoeabs.peaks (3.90, 7.65, 117.93 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.98: HD3 PRO 98 + H LEU 97 OK 98 100 - 98 - 4.8=64, 1.8/9102=30...(27) HA MET 46 - H LEU 97 OK 33 100 - 33 - 3233/2.9=7, 10106/4.0=6...(8) HA TYR 112 - H LEU 97 OK 21 72 - 29 - 10106/4.0=6, 2.9/9102=6...(7) Peak 9101 from nnoeabs.peaks (3.65, 7.65, 117.93 ppm; 4.03 A): 4 out of 4 assignments used, quality = 0.83: HA THR 92 + H LEU 97 OK 67 100 - 67 - 3.0/9099=15, 9124/5.0=12...(13) HA ILE 83 + H LEU 97 OK 24 62 - 38 - 3.2/7159=8, 9124/5.0=7...(10) HA2 GLY 94 + H LEU 97 OK 23 68 - 34 - 3.5/9098=19, 9124/5.0=5...(7) HD3 PRO 12 + H LEU 97 OK 12 98 - 12 - 8732/11419=3, 9086/4.6=2...(5) Peak 9102 from nnoeabs.peaks (3.42, 7.65, 117.93 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.98: HD2 PRO 98 + H LEU 97 OK 98 100 - 98 - 4.8=68, 3231/2.9=30...(26) HB3 TYR 112 - H LEU 97 OK 24 72 - 32 - 3231/2.9=7, 3247/4.8=6...(8) Peak 9166 from nnoeabs.peaks (1.92, 7.73, 114.05 ppm; 4.24 A): 5 out of 13 assignments used, quality = 0.81: HB3 LEU 132 + H SER 100 OK 55 99 - 56 - 4486=12, 1.8/4478=10...(11) HB ILE 136 + H SER 100 OK 23 92 - 25 - 2.5/9663=5, 4.6/10478=4...(6) HB2 GLN 62 + H SER 100 OK 20 96 - 21 - 1756=5, 3.0/1748=4...(7) HB2 PRO 118 + H SER 100 OK 20 100 - 20 - 3.0/7179=4, 2.3/7176=2...(8) HB2 ARG 89 + H SER 100 OK 13 72 - 18 - 3.0/7178=4, ~2867=3...(9) HB2 MET 59 - H SER 100 lone 8 100 - 8 - 9152/4.0=2, 4.8/8315=2 HB2 ARG 140 - H SER 100 lone 7 94 - 7 - 3.0/7176=1 HB3 LEU 69 - H SER 100 lone 5 62 - 9 - ~3308=2, 2019/4.1=1, 3.0/7180=1 HG13 ILE 83 - H SER 100 lone 5 96 - 5 - HG2 PRO 12 - H SER 100 lone 3 96 - 4 - QE MET 68 - H SER 100 lone 3 72 - 5 - HG3 PRO 12 - H SER 100 lone 3 100 - 3 - HB2 LYS 86 - H SER 100 lone 3 99 - 3 - Peak 9167 from nnoeabs.peaks (2.36, 7.73, 114.05 ppm; 4.84 A): 0 out of 3 assignments used, low quality = 0.10: HE2 LYS 123 - H SER 100 OK 10 77 - 13 - 9151/4.0=5, 6.2/7180=2...(4) HB2 GLN 47 - H SER 100 lone 9 96 - 9 - 1103/10145=2, 9151/4.0=2 HG3 MET 11 - H SER 100 lone 2 81 - 2 - Peak 9192 from nnoeabs.peaks (1.15, 8.00, 124.10 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.82: QG2 THR 92 + H ALA 104 OK 69 89 - 78 - 10088/2.9=40...(11) HG LEU 64 + H ALA 104 OK 43 94 - 45 - ~9195=15, 9197/2.9=13...(8) QG2 THR 18 - H ALA 104 lone 4 96 - 4 - Peak 9193 from nnoeabs.peaks (0.90, 8.00, 124.10 ppm; 3.59 A): 5 out of 6 assignments used, quality = 0.81: QD1 ILE 101 + H ALA 104 OK 41 77 - 54 - ~10198=8, ~10156=7...(20) QG2 ILE 101 + H ALA 104 OK 34 62 - 54 - ~10127=11, ~9199=7...(18) QG2 VAL 80 + H ALA 104 OK 25 99 - 25 - ~8760=10, 8754/2.9=4...(5) QG1 VAL 63 + H ALA 104 OK 24 89 - 27 - ~10155=4, ~8354=3...(11) QG2 ILE 136 + H ALA 104 OK 17 62 - 27 - 10199/2.8=3, ~4602=2...(13) QG1 VAL 53 - H ALA 104 lone 3 92 - 3 - Peak 9206 from nnoeabs.peaks (4.23, 8.00, 124.10 ppm; 4.29 A): 6 out of 7 assignments used, quality = 0.91: HB THR 92 + H ALA 104 OK 51 62 - 82 - ~10088=26, 2.1/9192=19...(13) HB THR 102 + H ALA 104 OK 46 99 - 46 - 9204/2.9=15...(8) HA THR 102 + H ALA 104 OK 33 68 - 50 - 3.0/7222=7, 10185=7...(14) HA ARG 141 + H ALA 104 OK 24 89 - 27 - 3.6/10509=7, 9204/2.9=6...(8) HA LYS 93 + H ALA 104 OK 22 81 - 28 - 9204/2.9=9, ~10103=7...(8) HA PHE 45 + H ALA 104 OK 13 81 - 16 - 10151/3.6=3, 9208/4.6=3...(6) HA LYS 85 - H ALA 104 lone 9 98 - 9 - 9204/2.9=2, 7209/4.6=2 Peak 9207 from nnoeabs.peaks (3.98, 8.25, 118.38 ppm; 4.53 A): 0 out of 9 assignments used, low quality = 0.15: HB3 SER 127 - H ALA 105 OK 15 99 - 15 - 4326/3.6=5, 1.8/7226=4, ~9213=2 HA LEU 69 - H ALA 105 poor 10 68 - 14 - 4.9/11538=6, 4.9/7226=2 HA GLU 122 - H ALA 105 poor 7 62 - 12 - ~4064=4, ~4072=4, 9203/3.7=2 HB2 SER 138 - H ALA 105 poor 7 68 - 11 - 4.0/7231=8 HB3 SER 138 - H ALA 105 poor 7 68 - 11 - 4.0/7231=8 HA GLU 75 - H ALA 105 lone 4 96 - 4 - 9958/9218=2 HA3 GLY 143 - H ALA 105 lone 3 81 - 4 - HA LYS 114 - H ALA 105 lone 2 62 - 3 - HA MET 113 - H ALA 105 lone 2 62 - 3 - Peak 9208 from nnoeabs.peaks (4.23, 8.25, 118.38 ppm; 4.86 A): 5 out of 7 assignments used, quality = 0.85: HB THR 102 + H ALA 105 OK 48 96 - 50 - 9204/3.7=14, 3373=10...(11) HA THR 102 + H ALA 105 OK 35 77 - 45 - 10185/4.6=9, 3.0/3373=7...(11) HA ILE 101 + H ALA 105 OK 31 68 - 46 - 3.8/10173=11...(8) HA PHE 45 + H ALA 105 OK 23 89 - 26 - ~10159=10, ~10206=6...(7) HA LYS 93 + H ALA 105 OK 15 89 - 16 - 9204/3.7=9, 9206/4.6=3 HA ARG 141 - H ALA 105 poor 10 81 - 12 - 9204/3.7=6, 9206/4.6=3 HA LYS 85 - H ALA 105 lone 6 100 - 6 - 9204/3.7=2, 9206/4.6=1 Peak 9209 from nnoeabs.peaks (4.47, 8.25, 118.38 ppm; 4.26 A): 4 out of 5 assignments used, quality = 0.68: HA SER 103 + H ALA 105 OK 35 100 - 35 - 3.6/7225=19, 9205/3.7=5...(5) HA ASP 137 + H ALA 105 OK 26 99 - 26 - 9205/3.7=8, 3.6/7231=8...(5) HA3 GLY 31 + H ALA 105 OK 23 100 - 23 - 409=8, 3.0/6147=5...(5) HA SER 44 + H ALA 105 OK 13 100 - 13 - 9205/3.7=5, 996/4.6=3 HA ASP 41 - H ALA 105 lone 4 94 - 4 - 10509/3378=1 Peak 9216 from nnoeabs.peaks (4.48, 7.70, 117.43 ppm; 4.97 A): 0 out of 4 assignments used, low quality = 0.39: HA SER 103 - H PHE 106 OK 39 72 - 54 - 3.0/10217=13...(11) HA ASP 13 - H PHE 106 lone 7 81 - 8 - 3.6/7244=2, 112/3.5=1...(4) HA3 GLY 31 - H PHE 106 lone 5 68 - 8 - 409/4.6=3, 3.5/7235=2 HA SER 44 - H PHE 106 lone 4 77 - 5 - 9205/10192=1, 9209/4.6=1 Peak 9217 from nnoeabs.peaks (0.88, 8.25, 118.38 ppm; 4.36 A): 3 out of 7 assignments used, quality = 0.93: QG2 ILE 101 + H ALA 105 OK 67 100 - 67 - 9169/3.6=12, 3343=12...(14) QD1 ILE 101 + H ALA 105 OK 60 98 - 62 - 10172=13, 2.1/10173=11...(14) QG2 ILE 136 + H ALA 105 OK 48 100 - 48 - 10335/2.9=9, 9195/3.7=7...(12) QD1 LEU 97 - H ALA 105 OK 27 100 - 27 - ~9126=9, 9195/3.7=5...(7) HB3 LEU 42 - H ALA 105 OK 13 77 - 17 - 9195/3.7=8, 9220/2.9=2...(5) QG2 VAL 80 - H ALA 105 OK 11 72 - 15 - 8754/3.7=3, 9220/2.9=3...(6) QG2 ILE 56 - H ALA 105 poor 10 62 - 15 - 10604/4.6=4, 9195/3.7=4...(5) Peak 9218 from nnoeabs.peaks (0.77, 8.25, 118.38 ppm; 4.86 A): 4 out of 6 assignments used, quality = 0.88: QD2 LEU 72 + H ALA 105 OK 53 96 - 55 - 9954/2.9=10, 2148/4.6=8...(13) QD1 LEU 72 + H ALA 105 OK 43 85 - 50 - 10172/3.7=8, ~9954=7...(13) QD1 ILE 136 + H ALA 105 OK 36 81 - 44 - 3.0/9217=7, ~10335=6...(14) QG2 VAL 73 + H ALA 105 OK 29 77 - 38 - ~8570=9, ~8570=8...(11) QD1 LEU 79 - H ALA 105 lone 5 68 - 7 - QD2 LEU 95 - H ALA 105 lone 4 85 - 5 - 10200/3.6=1 Peak 9224 from nnoeabs.peaks (1.63, 8.25, 118.38 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.26: HB3 LEU 64 - H ALA 105 OK 16 57 - 29 - 9201/3.7=7, ~3413=5...(6) HB3 LEU 26 - H ALA 105 OK 12 100 - 12 - ~3414=5, ~3414=4 HD2 LYS 24 - H ALA 105 lone 8 99 - 9 - 9201/3.7=2, 9021/10148=1 HG3 LYS 34 - H ALA 105 lone 7 99 - 7 - 10178/10172=2, 9201/3.7=1 HG3 ARG 144 - H ALA 105 lone 6 57 - 10 - 9201/3.7=2, 9021/10148=2...(5) Peak 9225 from nnoeabs.peaks (0.90, 7.70, 117.43 ppm; 5.08 A): 6 out of 6 assignments used, quality = 0.83: QG2 VAL 80 + H PHE 106 OK 41 99 - 41 - 9955/4.5=9, 9220/3.7=8...(14) QG1 VAL 63 + H PHE 106 OK 29 89 - 32 - 9220/3.7=9, 10935/4.0=6...(6) QD1 ILE 101 + H PHE 106 OK 27 77 - 35 - 9220/3.7=12, 10543=8...(6) QG2 ILE 136 + H PHE 106 OK 21 62 - 33 - 4.0/7741=8, 3.0/10213=7...(8) QG2 ILE 101 + H PHE 106 OK 19 62 - 30 - 3.1/10543=8, 9185/3.6=5...(7) QG1 VAL 53 + H PHE 106 OK 15 92 - 16 - 9220/3.7=5...(4) Peak 9226 from nnoeabs.peaks (1.30, 7.70, 117.43 ppm; 4.09 A): 0 out of 5 assignments used, low quality = 0.00: HG LEU 79 - H PHE 106 lone 7 96 - 7 - 3.7/7240=2, ~11130=1, 2382/4.0=1 HG LEU 87 - H PHE 106 lone 5 100 - 5 - 10129/10543=1 HG12 ILE 83 - H PHE 106 lone 5 100 - 5 - 10773/4.0=2 HG3 LYS 24 - H PHE 106 lone 3 100 - 3 - 10862/332=1 HG13 ILE 58 - H PHE 106 lone 3 77 - 4 - 2.9/10582=1 Peak 9229 from nnoeabs.peaks (2.97, 8.25, 118.38 ppm; 4.50 A): 0 out of 5 assignments used, low quality = 0.43: HA VAL 71 - H ALA 105 OK 21 100 - 21 - 4.9/11538=6, 8502/3.6=5...(6) HB3 TYR 27 - H ALA 105 OK 18 99 - 19 - 303/4.6=5, 9228/2.9=5...(5) HB2 ASP 30 - H ALA 105 OK 12 98 - 12 - 4.4/6147=4, 3.0/9770=2...(4) HA VAL 82 - H ALA 105 lone 6 89 - 7 - ~9986=2, 8444/3.6=2 HB3 ASN 128 - H ALA 105 lone 1 77 - 2 - Peak 9237 from nnoeabs.peaks (0.75, 8.15, 118.33 ppm; 4.62 A): 3 out of 5 assignments used, quality = 0.95: QD1 LEU 108 + H THR 107 OK 80 94 - 85 - 3509/3.2=24, ~7275=23...(21) QD1 ILE 136 + H THR 107 OK 61 100 - 62 - 4636/3.0=9, 4.2/7257=7...(21) QD1 LEU 72 + H THR 107 OK 32 99 - 33 - 7276/3.2=5, 10213/3.5=5...(13) QD2 LEU 72 - H THR 107 OK 28 92 - 30 - 10213/3.5=5, 7276/3.2=4...(11) QG2 VAL 73 - H THR 107 OK 19 100 - 19 - 7276/3.2=4, 10213/3.5=3...(5) Peak 9238 from nnoeabs.peaks (0.91, 8.15, 118.33 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.94: QG1 VAL 63 + H THR 107 OK 59 100 - 59 - 10935/4.6=11, ~7272=8...(17) QD2 LEU 29 + H THR 107 OK 56 94 - 60 - 4.8/8080=38, 10834/3.5=9...(10) HB2 LEU 64 + H THR 107 OK 54 81 - 66 - 3.0/10222=29, ~9242=21...(8) QG2 VAL 80 + H THR 107 OK 28 68 - 41 - ~9961=11, 9225/3.5=9...(10) QG1 VAL 53 - H THR 107 OK 19 100 - 19 - ~9241=3, 9225/3.5=3...(5) Peak 9239 from nnoeabs.peaks (1.60, 8.15, 118.33 ppm; 5.32 A): 2 out of 11 assignments used, quality = 0.94: HG LEU 108 + H THR 107 OK 86 94 - 91 - ~7275=30, ~3509=21...(20) HG3 LYS 48 + H THR 107 OK 57 100 - 57 - 1183/3.2=12, ~1172=9...(14) HB2 LEU 79 - H THR 107 OK 22 98 - 23 - ~9226=6, 11130/3.6=4...(8) HG3 ARG 49 - H THR 107 OK 15 68 - 23 - ~10662=6, 3493/3.2=5...(6) HB2 LEU 97 - H THR 107 OK 15 98 - 16 - 9248/4.1=4, 9252/4.0=3...(6) HB2 LEU 87 - H THR 107 OK 12 62 - 19 - ~9226=5, 9252/4.0=3...(9) HD2 LYS 61 - H THR 107 OK 11 94 - 11 - ~10528=4, 11130/3.6=3 HD3 LYS 61 - H THR 107 OK 11 94 - 11 - ~10528=4, 11130/3.6=3 HG2 ARG 144 - H THR 107 lone 9 100 - 9 - 7274/3.2=2, 9248/4.1=1, ~7274=1 HG3 LYS 36 - H THR 107 lone 9 94 - 10 - 11130/3.6=2, 1183/3.2=1 HG2 ARG 141 - H THR 107 lone 7 96 - 7 - 7274/3.2=1, 9248/4.1=1 Peak 9240 from nnoeabs.peaks (2.01, 8.15, 118.33 ppm; 6.27 A): 6 out of 8 assignments used, quality = 0.76: HG3 GLU 122 + H THR 107 OK 37 100 - 37 - 9445/5.0=20, 9456/4.0=9...(8) HB2 GLN 111 + H THR 107 OK 35 85 - 40 - 9251/4.0=12, 9249/4.1=12...(5) QE MET 11 + H THR 107 OK 18 98 - 18 - 10591/3.6=2, 9251/4.0=2...(6) QE MET 113 + H THR 107 OK 12 62 - 19 - 9310/5.0=4, 9310/7254=3...(7) HB3 GLU 37 + H THR 107 OK 10 100 - 10 - ~3448=2, 767/4.1=1...(5) HB2 GLU 37 + H THR 107 OK 10 96 - 10 - ~3448=2, 3.0/7258=1...(5) HG3 PRO 52 - H THR 107 lone 9 96 - 9 - 9251/4.0=2, 9249/4.1=1 HB3 GLU 90 - H THR 107 lone 5 100 - 5 - Peak 9269 from nnoeabs.peaks (6.84, 7.34, 118.51 ppm; 4.95 A): 2 out of 2 assignments used, quality = 0.71: HZ2 TRP 88 + H ARG 109 OK 63 68 - 94 - 9267/2.9=27...(18) HD22 ASN 54 + H ARG 109 OK 22 100 - 22 - 9267/2.9=12, 10234/4.0=3...(5) Peak 9282 from nnoeabs.peaks (2.77, 7.82, 114.50 ppm; 6.80 A): 6 out of 7 assignments used, quality = 0.90: HG3 GLN 111 + H THR 110 OK 51 85 - 60 - 9283/4.1=18, 9287/4.0=13...(9) HE3 LYS 76 + H THR 110 OK 36 92 - 39 - 9281/3.0=10, 9287/4.0=10...(5) HE2 LYS 114 + H THR 110 OK 33 81 - 40 - 9287/4.0=17, 9281/3.0=16 HE2 LYS 76 + H THR 110 OK 29 77 - 38 - 9281/3.0=10, 9287/4.0=10...(5) HB2 ASP 41 + H THR 110 OK 23 100 - 23 - 7331/3.4=5, 9281/3.0=5...(6) HB3 ASN 84 + H THR 110 OK 11 81 - 14 - 7331/3.4=5, 9283/4.1=3...(4) HB3 TYR 119 - H THR 110 poor 9 77 - 12 - 7331/3.4=5, 7362/7317=2 Peak 9296 from nnoeabs.peaks (1.18, 9.19, 121.48 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.70: HB3 LEU 108 + H TYR 112 OK 57 100 - 58 - ~3472=18, 3.0/7353=17...(9) QD1 LEU 26 + H TYR 112 OK 29 98 - 30 - 10551/4.5=9, 10877/6.5=8...(10) Peak 9297 from nnoeabs.peaks (1.00, 9.19, 121.48 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.93: QD2 LEU 116 + H TYR 112 OK 58 89 - 65 - ~10223=14, 9301/2.9=13...(14) QD1 LEU 116 + H TYR 112 OK 53 85 - 63 - 10223/2.9=18, 9398/4.5=8...(18) QD2 LEU 69 + H TYR 112 OK 53 85 - 62 - 9878=14, 2.1/9875=10...(15) HG12 ILE 136 + H TYR 112 OK 28 89 - 31 - 9301/2.9=9, 9304/4.0=5...(10) Peak 9298 from nnoeabs.peaks (0.78, 9.19, 121.48 ppm; 4.01 A): 4 out of 5 assignments used, quality = 0.85: QD1 LEU 79 + H TYR 112 OK 47 100 - 48 - 9931=13, 8719/4.5=11...(9) QG2 THR 74 + H TYR 112 OK 45 100 - 45 - 9931=9, 3.2/7367=8...(14) QD2 LEU 126 + H TYR 112 OK 40 89 - 45 - 2.1/9299=20, ~9303=15...(5) QD2 LEU 95 + H TYR 112 OK 17 99 - 17 - 9931=4, 9316/3.9=3...(6) QG1 VAL 80 - H TYR 112 lone 5 62 - 8 - 9964/3.9=2, 9959/6.5=2 Peak 9299 from nnoeabs.peaks (0.64, 9.19, 121.48 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.69: QD1 LEU 126 + H TYR 112 OK 52 92 - 56 - 9303/2.9=24...(12) QD2 LEU 64 + H TYR 112 OK 36 68 - 53 - 1847=11, 2.1/1855=10...(19) Peak 9311 from nnoeabs.peaks (7.17, 7.38, 115.73 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.80: QE TYR 115 + H LYS 114 OK 73 92 - 79 - 10265/4.9=16...(15) QE TYR 115 + H ARG 49 OK 25 89 - 28 - 6.5/7418=4, 9358/7406=3...(12) Peak 9312 from nnoeabs.peaks (8.40, 7.38, 115.73 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.46: H TYR 117 + H LYS 114 OK 33 100 - 34 - 11700/3.6=16...(6) H GLU 75 + H LYS 114 OK 19 68 - 29 - 8622=18, 11700/3.6=8...(4) H TYR 117 - H ARG 49 lone 7 98 - 7 - 4.5/9404=3, 11700/3687=2 H GLU 75 - H ARG 49 lone 4 65 - 6 - 8622=4 H SER 103 - H LYS 114 lone 3 100 - 3 - H SER 103 - H ARG 49 lone 3 99 - 3 - H GLY 31 - H LYS 114 lone 2 100 - 2 - H GLY 31 - H ARG 49 lone 1 98 - 1 - Peak 9313 from nnoeabs.peaks (1.66, 8.87, 118.99 ppm; 5.11 A): 4 out of 13 assignments used, quality = 0.92: HB2 LYS 114 + H MET 113 OK 81 94 - 86 - 3742/3.0=22, ~3754=17...(23) HD2 LYS 48 + H MET 113 OK 29 92 - 31 - 1204/3.0=7, ~1193=6...(9) HG13 ILE 136 + H MET 113 OK 25 99 - 25 - 1.8/9315=7, ~10332=6...(5) HB2 PRO 57 + H MET 113 OK 21 92 - 23 - ~3682=5, 1.8/7384=4...(7) HD3 LYS 48 - H MET 113 OK 19 62 - 31 - ~1204=6, 1204/3.0=6...(9) HG2 ARG 124 - H MET 113 OK 17 98 - 17 - 11070/9316=3...(8) HB2 LEU 95 - H MET 113 OK 12 92 - 13 - 3.1/9316=5, 3132/9316=2, ~9318=2 HB VAL 71 - H MET 113 OK 11 92 - 12 - 10593/9317=3, ~8510=3...(4) HD3 LYS 93 - H MET 113 poor 10 94 - 10 - ~1215=3, 7404/3.0=3 HG2 ARG 89 - H MET 113 lone 9 92 - 9 - 3.0/7379=4, ~10256=2, 2880/4.7=1 HG2 ARG 140 - H MET 113 lone 9 100 - 9 - ~10256=2, 7404/3.0=1, ~6464=1 HB2 MET 68 - H MET 113 lone 7 99 - 7 - 8430/9316=2 HB2 ARG 145 - H MET 113 lone 3 81 - 3 - ~10738=2 Peak 9315 from nnoeabs.peaks (1.00, 8.87, 118.99 ppm; 4.51 A): 4 out of 4 assignments used, quality = 0.90: QD2 LEU 69 + H MET 113 OK 63 96 - 66 - 9919/3.9=19, 8459/4.9=16...(20) QD2 LEU 116 + H MET 113 OK 49 98 - 51 - 9301/3.6=15, 9402/4.9=11...(10) QD1 LEU 116 + H MET 113 OK 29 68 - 43 - 10223/3.6=15, 9297/3.9=9...(8) HG12 ILE 136 + H MET 113 OK 27 72 - 38 - 9301/3.6=9, 9304/4.7=6...(10) Peak 9316 from nnoeabs.peaks (0.78, 8.87, 118.99 ppm; 4.27 A): 5 out of 5 assignments used, quality = 0.87: QD1 LEU 79 + H MET 113 OK 66 100 - 66 - 2.1/9317=18, ~9319=15...(14) QG2 THR 74 + H MET 113 OK 32 100 - 32 - 9298/3.9=8, 3.2/7380=7...(9) QD2 LEU 126 + H MET 113 OK 24 89 - 27 - 2.1/9317=8, 9298/3.9=7...(6) QD2 LEU 95 + H MET 113 OK 17 99 - 18 - 9298/3.9=3, 10255/5.2=2...(7) QG1 VAL 80 + H MET 113 OK 10 62 - 16 - 9964=4, ~9991=3...(5) Peak 9317 from nnoeabs.peaks (0.63, 8.87, 118.99 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.83: QD2 LEU 79 + H MET 113 OK 61 85 - 72 - 9319/3.0=17, 9323/4.1=15...(14) QD2 LEU 64 + H MET 113 OK 40 100 - 40 - 1847/3.9=10, 9303/3.6=9...(11) QD1 LEU 126 + H MET 113 OK 28 92 - 31 - 9303/3.6=7, 2.1/9316=5...(8) Peak 9368 from nnoeabs.peaks (0.59, 8.12, 110.38 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.49: QD1 LEU 132 + H TYR 115 OK 30 94 - 32 - 4729/4.5=9, 10295/6.5=7...(9) QG1 VAL 71 + H TYR 115 OK 15 77 - 20 - 4729/4.5=4, 10294/4.6=3...(8) QD1 ILE 56 + H TYR 115 OK 13 100 - 13 - 4729/4.5=5, 8024/4.0=3...(4) Peak 9369 from nnoeabs.peaks (1.02, 8.12, 110.38 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.51: QD2 LEU 116 + H TYR 115 OK 41 81 - 51 - 5.0/7433=18, 9366/4.0=11...(10) QD2 LEU 69 + H TYR 115 OK 16 85 - 19 - 7446/4.6=4, 9366/4.0=4...(8) QG2 THR 110 - H TYR 115 poor 10 72 - 14 - 10241=3, 3.0/7414=2...(6) Peak 9370 from nnoeabs.peaks (2.41, 8.12, 110.38 ppm; 5.76 A): 5 out of 5 assignments used, quality = 0.88: QE MET 46 + H TYR 115 OK 77 92 - 84 - 10479=34, 10277/3.0=31...(16) HG3 GLN 133 + H TYR 115 OK 18 81 - 22 - 10277/3.0=6, ~10277=5...(6) HG2 GLN 133 + H TYR 115 OK 16 77 - 21 - 10277/3.0=6, ~10277=5...(6) HG3 GLN 25 + H TYR 115 OK 12 92 - 13 - 9349/6.5=3, 8245/7423=2...(4) HB3 PRO 118 + H TYR 115 OK 11 89 - 13 - 10277/3.0=3, 9349/6.5=3...(4) Peak 9379 from nnoeabs.peaks (3.27, 8.38, 115.59 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.64: HB2 TYR 112 + H LEU 116 OK 52 77 - 68 - 2.9/10245=50...(6) HD2 PRO 52 + H LEU 116 OK 25 89 - 28 - 3.8/7441=8, 3656/10245=6...(5) Peak 9380 from nnoeabs.peaks (3.43, 8.38, 115.59 ppm; 5.86 A): 2 out of 3 assignments used, quality = 0.50: HA LEU 42 + H LEU 116 OK 33 77 - 43 - 3.9/11435=30...(5) HB2 TYR 117 + H LEU 116 OK 26 62 - 41 - 4.5/11708=27...(5) HD2 PRO 98 - H LEU 116 lone 5 85 - 6 - 10695/4.6=2, 3240/10245=2 Peak 9381 from nnoeabs.peaks (3.92, 8.38, 115.59 ppm; 3.98 A): 2 out of 4 assignments used, quality = 0.63: HA TYR 112 + H LEU 116 OK 59 81 - 72 - 10245=35, 10223/4.6=17...(14) HA LYS 86 + H LEU 116 OK 11 85 - 13 - 3.6/7435=6, 2680/4.6=3 HD2 PRO 129 - H LEU 116 lone 9 100 - 9 - 9395/3.9=3, 10223/4.6=2 HA2 GLY 143 - H LEU 116 lone 2 81 - 2 - Peak 9382 from nnoeabs.peaks (4.00, 8.38, 115.59 ppm; 4.48 A): 3 out of 10 assignments used, quality = 0.86: HA LYS 114 + H LEU 116 OK 60 96 - 62 - 3.6/7433=38, 3.0/9404=21...(7) HA MET 113 + H LEU 116 OK 54 96 - 56 - 4.9/10245=24...(7) HA LEU 69 + H LEU 116 OK 27 94 - 29 - 3.9/7446=11, 2005/5.0=8...(6) HA GLU 122 - H LEU 116 lone 7 96 - 7 - 9920/4.8=2, 7419/4.6=1 HB2 SER 138 - H LEU 116 lone 4 94 - 4 - 7417/4.6=1 HB3 SER 138 - H LEU 116 lone 4 94 - 4 - 7417/4.6=1 HB2 SER 103 - H LEU 116 lone 3 94 - 3 - 9387/4.5=1 HB THR 107 - H LEU 116 lone 3 77 - 4 - 9387/4.5=3 HB3 SER 100 - H LEU 116 lone 2 94 - 3 - HA LYS 123 - H LEU 116 lone 1 68 - 1 - Peak 9384 from nnoeabs.peaks (2.22, 8.40, 120.32 ppm; 5.64 A): 0 out of 4 assignments used, low quality = 0.44: HB3 PRO 12 - H TYR 117 OK 32 96 - 34 - 2.3/9389=25, 9937/9389=7 HB2 GLU 28 - H TYR 117 OK 17 99 - 17 - 4.3/9405=13, 70/9389=2 HG2 GLU 37 - H TYR 117 poor 8 77 - 10 - 3.8/9387=3, 10768/9405=3...(4) HG2 GLU 28 - H TYR 117 lone 5 100 - 5 - 70/9389=2, 6117/9405=2 Peak 9385 from nnoeabs.peaks (2.53, 8.40, 120.32 ppm; 4.68 A): 0 out of 2 assignments used, low quality = 0.33: HB2 ASP 13 - H TYR 117 OK 33 94 - 35 - 1.8/9386=16, 4.5/9406=14...(6) HG3 MET 68 - H TYR 117 lone 7 96 - 7 - 1984/4.8=4 Peak 9386 from nnoeabs.peaks (2.69, 8.40, 120.32 ppm; 4.71 A): 3 out of 6 assignments used, quality = 0.74: HB3 ASP 13 + H TYR 117 OK 51 99 - 51 - 1.8/9385=33, 4.5/9406=14...(6) HB3 TYR 115 + H TYR 117 OK 40 100 - 40 - 3853/4.5=21, 9377/3901=5...(9) HB2 ASP 32 + H TYR 117 OK 12 99 - 12 - 8089/4.8=3, 7438/4.5=3...(4) HB2 PHE 43 - H TYR 117 lone 10 100 - 10 - 7438/4.5=3, 9377/3901=2 HB2 ASP 137 - H TYR 117 poor 10 96 - 10 - 4.5/9406=4, 7438/4.5=2 HB3 ASP 16 - H TYR 117 lone 4 92 - 4 - 3853/4.5=2 Peak 9387 from nnoeabs.peaks (4.01, 8.40, 120.32 ppm; 4.11 A): 4 out of 12 assignments used, quality = 0.75: HA MET 113 + H TYR 117 OK 49 81 - 61 - 11700=19, 10257/3.9=13...(9) HA LYS 114 + H TYR 117 OK 23 81 - 29 - 3.0/9312=13, 9382/4.5=7...(6) HA LEU 69 + H TYR 117 OK 22 77 - 28 - 4.9/9389=10, 3.9/7455=9...(7) HB THR 107 + H TYR 117 OK 18 94 - 19 - 4.1/9406=5, 9236/4.5=5...(6) HA GLU 37 - H TYR 117 poor 10 81 - 12 - 4.9/10538=7, 3.8/9384=2 HB2 SER 103 - H TYR 117 lone 8 100 - 8 - 1.8/3393=1, 9412/3.9=1...(4) HB2 SER 138 - H TYR 117 lone 5 77 - 7 - 4.0/9406=4 HB3 SER 138 - H TYR 117 lone 5 77 - 7 - 4.0/9406=4 HB3 SER 100 - H TYR 117 lone 5 100 - 5 - 3317/4.8=2 HA GLU 122 - H TYR 117 lone 4 81 - 5 - HA LYS 123 - H TYR 117 lone 1 89 - 2 - HA GLU 81 - H TYR 117 lone 1 77 - 1 - Peak 9389 from nnoeabs.peaks (4.33, 8.40, 120.32 ppm; 3.91 A): 0 out of 2 assignments used, low quality = 0.39: HA TYR 70 - H TYR 117 OK 22 100 - 22 - 8491/9405=4, 9375/3901=3...(7) HA PRO 12 - H TYR 117 OK 22 100 - 22 - 2.3/9384=9, 9371/7454=4...(5) Peak 9390 from nnoeabs.peaks (4.53, 8.40, 120.32 ppm; 5.40 A): 0 out of 1 assignment used, low quality = 0.32: HA HIS 14 - H TYR 117 OK 32 85 - 37 - 3.0/9406=24...(5) Peak 9404 from nnoeabs.peaks (7.38, 8.38, 115.59 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.62: H LYS 114 + H LEU 116 OK 55 92 - 60 - 4.6/7433=33, 3.0/9382=13...(7) H ARG 49 + H LEU 116 OK 14 85 - 17 - 7418/4.6=8, 9312/4.5=2...(5) H ASP 41 - H LEU 116 lone 7 100 - 7 - 7418/4.6=3, 3730/9382=2 Peak 9405 from nnoeabs.peaks (6.92, 8.40, 120.32 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.53: QD TYR 112 + H TYR 117 OK 40 92 - 44 - 9407/3.9=14...(8) H LEU 29 + H TYR 117 OK 21 81 - 26 - 10288/4.5=6, 4.3/9384=5...(8) Peak 9406 from nnoeabs.peaks (8.14, 8.40, 120.32 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.62: H HIS 14 + H TYR 117 OK 45 96 - 47 - 3.0/9390=26, 4.5/9385=19...(4) H THR 107 + H TYR 117 OK 19 96 - 20 - 7254/4.5=8, 5.0/7459=5...(4) H SER 138 + H TYR 117 OK 13 100 - 13 - 4.5/9386=2, 117/9385=2...(6) Peak 9419 from nnoeabs.peaks (1.03, 7.86, 121.00 ppm; 4.51 A): 0 out of 2 assignments used, low quality = 0.42: HB2 LEU 116 - H TYR 119 OK 42 98 - 43 - 3.0/11085=33, ~11110=8 QG2 THR 110 - H TYR 119 lone 3 100 - 3 - 3860/11085=2 Peak 9420 from nnoeabs.peaks (0.53, 7.86, 121.00 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.72: QD1 LEU 42 + H TYR 119 OK 72 92 - 78 - 9421/2.8=23, 8160/4.0=23...(13) Peak 9424 from nnoeabs.peaks (4.17, 7.86, 121.00 ppm; 6.01 A): 3 out of 9 assignments used, quality = 0.71: HA GLU 120 + H TYR 119 OK 52 100 - 53 - 2.9/7474=50, 2820/2.8=3 HA TRP 88 + H TYR 119 OK 27 98 - 27 - 5.1/10304=8, 4004/4.7=5...(10) HA PHE 38 + H TYR 119 OK 18 99 - 18 - 7483/4.7=6, 6.2/10306=3...(5) HB3 SER 44 - H TYR 119 lone 6 98 - 7 - 7483/4.7=2 HB2 SER 44 - H TYR 119 lone 6 98 - 7 - 7483/4.7=2 HA LEU 64 - H TYR 119 lone 5 96 - 6 - 8157/9420=2, 7483/4.7=1 HA LYS 76 - H TYR 119 lone 4 72 - 5 - 7483/4.7=2 HG1 THR 74 - H TYR 119 lone 3 98 - 3 - 7483/4.7=1 HA3 GLY 125 - H TYR 119 lone 3 81 - 3 - 7483/4.7=2 Peak 9427 from nnoeabs.peaks (7.13, 7.86, 121.00 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.73: QE PHE 45 + H TYR 119 OK 55 89 - 62 - 9428/2.8=18, ~10236=10...(11) QD PHE 106 + H TYR 119 OK 31 94 - 33 - 9428/2.8=8, 9425/3.6=8...(7) QD TYR 117 + H TYR 119 OK 12 62 - 20 - 4.6/7467=5, 4.6/7468=5...(5) Peak 9436 from nnoeabs.peaks (1.92, 9.05, 120.42 ppm; 6.80 A): 3 out of 13 assignments used, quality = 0.68: HB2 PRO 118 + H GLU 120 OK 53 100 - 54 - 4.3/7474=49, 9426/9441=4 HB3 LEU 132 + H GLU 120 OK 21 100 - 21 - 7463/4.7=10, 3989/3.6=7 HB2 GLN 62 + H GLU 120 OK 14 100 - 13 - 2.9/7486=3, 2.9/7486=3...(4) HB ILE 136 - H GLU 120 poor 9 77 - 12 - 7463/4.7=4, 2.9/9437=3 HG2 PRO 12 - H GLU 120 lone 9 100 - 9 - 3989/3.6=3, 7463/4.7=2 HB2 ARG 140 - H GLU 120 lone 7 100 - 7 - 7463/4.7=3 HG3 PRO 12 - H GLU 120 lone 5 100 - 5 - 7463/4.7=2 HB2 LYS 86 - H GLU 120 lone 5 92 - 5 - HG13 ILE 83 - H GLU 120 lone 4 85 - 5 - 7463/4.7=1 HB3 PRO 52 - H GLU 120 lone 4 72 - 6 - 3989/3.6=3 HB2 ARG 89 - H GLU 120 lone 4 89 - 5 - 7463/4.7=1 HG2 PRO 52 - H GLU 120 lone 4 68 - 6 - 3989/3.6=3 HB2 MET 59 - H GLU 120 lone 4 98 - 4 - Peak 9437 from nnoeabs.peaks (1.00, 9.05, 120.42 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.49: QD2 LEU 116 + H GLU 120 OK 49 100 - 49 - 11087/5.0=32...(4) QD1 LEU 116 - H GLU 120 poor 9 57 - 15 - 10685/5.0=10, 8143/9439=3 QD2 LEU 69 - H GLU 120 lone 6 99 - 6 - 8143/9439=4 HG12 ILE 136 - H GLU 120 lone 4 62 - 6 - 2.9/9436=2, 10747/3.6=1 Peak 9438 from nnoeabs.peaks (0.79, 9.05, 120.42 ppm; 6.02 A): 4 out of 5 assignments used, quality = 0.61: QD2 LEU 126 + H GLU 120 OK 38 98 - 39 - 9989/4.9=6, 9450/4.0=6...(15) QG2 THR 74 + H GLU 120 OK 16 100 - 16 - 9450/4.0=8, 9559/4.9=2 QD2 LEU 95 + H GLU 120 OK 15 92 - 17 - 9450/4.0=13 QD1 LEU 79 + H GLU 120 OK 12 99 - 12 - 9450/4.0=6, 9630/7477=1 QG1 VAL 80 - H GLU 120 lone 6 81 - 7 - 10297/9437=2 Peak 9439 from nnoeabs.peaks (0.52, 9.05, 120.42 ppm; 6.30 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 42 + H GLU 120 OK 94 100 - 94 - 9421/3.6=44, 8160/5.0=42...(11) Peak 9440 from nnoeabs.peaks (6.75, 9.05, 120.42 ppm; 4.81 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9441 from nnoeabs.peaks (7.13, 9.05, 120.42 ppm; 5.48 A): 2 out of 3 assignments used, quality = 0.53: QE PHE 45 + H GLU 120 OK 37 77 - 48 - 9428/3.6=24, 9427/4.7=20...(5) QD PHE 106 + H GLU 120 OK 26 99 - 26 - 9428/3.6=13, 9427/4.7=11...(4) QD TYR 117 - H GLU 120 lone 6 77 - 8 - 9427/4.7=4, 9979/9438=1 Peak 9443 from nnoeabs.peaks (7.15, 8.54, 116.13 ppm; 4.84 A): 0 out of 2 assignments used, low quality = 0.12: QE TYR 115 - H CYS 121 OK 12 99 - 12 - 8171/1082=5...(3) QD TYR 117 - H CYS 121 lone 4 89 - 5 - 8171/1082=1 Peak 9447 from nnoeabs.peaks (1.96, 8.54, 116.13 ppm; 5.25 A): 0 out of 5 assignments used, low quality = 0.00: HB2 LYS 34 - H CYS 121 lone 7 98 - 7 - 2.9/9449=3, ~7513=1 HB2 LYS 61 - H CYS 121 lone 5 100 - 5 - ~7515=3 HB ILE 56 - H CYS 121 lone 4 100 - 4 - 9351/9443=2 HB3 PRO 98 - H CYS 121 lone 3 94 - 4 - 3272/1040=1 HB3 MET 11 - H CYS 121 lone 2 99 - 2 - Peak 9448 from nnoeabs.peaks (1.71, 8.54, 116.13 ppm; 3.75 A): 0 out of 8 assignments used, low quality = 0.18: HB3 LEU 95 - H CYS 121 OK 18 89 - 21 - 9460/3.1=7, 3.1/9450=6...(5) HG LEU 66 - H CYS 121 poor 8 77 - 10 - ~1906=2, ~1914=2...(6) HB2 LYS 85 - H CYS 121 lone 7 77 - 10 - 9460/3.1=5, 10046/8907=2 HB3 GLU 81 - H CYS 121 lone 6 62 - 9 - 3.0/7497=2, 4.6/7502=2...(4) HB ILE 58 - H CYS 121 lone 4 81 - 5 - 9460/3.1=3 HD2 LYS 86 - H CYS 121 lone 2 81 - 3 - 9460/3.1=1 HG3 ARG 89 - H CYS 121 lone 2 72 - 3 - 3.8/9451=2 HB3 ARG 109 - H CYS 121 lone 1 85 - 2 - Peak 9449 from nnoeabs.peaks (1.51, 8.54, 116.13 ppm; 5.18 A): 2 out of 7 assignments used, quality = 0.93: HB2 GLU 122 + H CYS 121 OK 82 100 - 82 - 4065/3.1=29, 4.7/7503=26...(10) HB2 LYS 123 + H CYS 121 OK 61 92 - 67 - 3.9/7503=30, 7513/3.1=14...(10) HG3 LYS 85 - H CYS 121 OK 20 77 - 25 - 3.0/9448=7, ~9460=6...(6) HG3 PRO 57 - H CYS 121 OK 17 85 - 20 - 2.3/10587=9, 4748/9443=3...(6) HG2 LYS 34 - H CYS 121 OK 17 89 - 19 - 2.9/9447=11, 7513/3.1=3...(4) QB ALA 135 - H CYS 121 poor 8 62 - 12 - 7513/3.1=2, 10538/4.1=2...(5) HD3 LYS 114 - H CYS 121 lone 3 57 - 5 - 9341/9443=3 Peak 9450 from nnoeabs.peaks (0.78, 8.54, 116.13 ppm; 5.48 A): 4 out of 4 assignments used, quality = 0.74: QD2 LEU 95 + H CYS 121 OK 45 100 - 46 - 3.1/9448=17, ~9460=10...(9) QG2 THR 74 + H CYS 121 OK 25 100 - 25 - 8618/2.9=7, 9438/4.0=5...(7) QD2 LEU 126 + H CYS 121 OK 21 85 - 25 - 9438/4.0=11, 8618/2.9=5...(5) QD1 LEU 79 + H CYS 121 OK 20 100 - 20 - 9438/4.0=4, 11416/9443=3...(6) Peak 9451 from nnoeabs.peaks (4.28, 8.54, 116.13 ppm; 4.93 A): 4 out of 7 assignments used, quality = 0.69: HA PRO 118 + H CYS 121 OK 40 100 - 40 - 9416/4.1=23...(4) HA LEU 95 + H CYS 121 OK 28 77 - 36 - 3.0/9448=16, 3.9/9450=10...(5) HA3 GLY 78 + H CYS 121 OK 21 99 - 22 - 1.8/7492=5, 10315/4.1=3...(6) HA ARG 89 + H CYS 121 OK 11 85 - 12 - 10240/4.1=4, 10241/4.1=3...(4) HA ARG 49 - H CYS 121 poor 8 81 - 10 - 5.2/7492=4, 3.6/9805=2 HA ARG 140 - H CYS 121 lone 8 94 - 8 - 10241/4.1=3, 10240/4.1=3 HA THR 18 - H CYS 121 lone 2 96 - 2 - Peak 9452 from nnoeabs.peaks (0.39, 7.64, 119.50 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.98: HG3 LYS 123 + H GLU 122 OK 92 100 - 92 - ~7532=32, 7533/3.1=29...(21) QD2 LEU 132 + H GLU 122 OK 68 99 - 69 - 11037/4.0=17...(15) Peak 9460 from nnoeabs.peaks (1.70, 7.64, 119.50 ppm; 4.32 A): 0 out of 5 assignments used, low quality = 0.38: HB3 LEU 95 - H GLU 122 OK 25 100 - 26 - 9448/3.1=10, ~9450=5...(5) HB2 LYS 85 - H GLU 122 OK 17 100 - 16 - 9448/3.1=4, 3.0/7513=2...(6) HB ILE 58 - H GLU 122 lone 9 100 - 9 - 9448/3.1=2, ~8281=2, ~8281=1 HG LEU 26 - H GLU 122 lone 6 68 - 9 - 3.0/7515=2, 2.1/10875=1 HD2 LYS 86 - H GLU 122 lone 5 100 - 5 - 9448/3.1=1 Peak 9475 from nnoeabs.peaks (0.66, 8.21, 115.50 ppm; 4.98 A): 0 out of 2 assignments used, low quality = 0.33: QD2 LEU 66 - H ARG 124 OK 33 77 - 43 - 4.5/10336=10...(13) QD2 LEU 39 - H ARG 124 poor 10 81 - 12 - 9491/4.7=4, 11496/4.9=1 Peak 9476 from nnoeabs.peaks (0.80, 8.21, 115.50 ppm; 4.72 A): 2 out of 4 assignments used, quality = 0.86: QD2 LEU 126 + H ARG 124 OK 67 81 - 83 - ~10259=21, ~10342=17...(17) QG1 VAL 80 + H ARG 124 OK 58 98 - 59 - 9490/4.7=16, 9954/3.0=12...(13) QD1 LEU 95 - H ARG 124 poor 9 62 - 14 - 9490/4.7=3, 9479/6.2=2...(4) HG LEU 42 - H ARG 124 lone 4 68 - 6 - 9490/4.7=2, 944/4.8=1 Peak 9487 from nnoeabs.peaks (3.77, 8.21, 115.50 ppm; 5.05 A): 0 out of 2 assignments used, low quality = 0.32: HA2 GLY 125 - H ARG 124 OK 32 98 - 33 - 3.0/7559=26, 10317/9488=8 HA TYR 27 - H ARG 124 lone 1 62 - 1 - Peak 9488 from nnoeabs.peaks (4.18, 8.21, 115.50 ppm; 3.71 A): 3 out of 6 assignments used, quality = 0.50: HA CYS 121 + H ARG 124 OK 36 99 - 36 - 7522/4.7=9, 3.6/10336=8...(7) HG1 THR 74 + H ARG 124 OK 12 77 - 16 - 5.1/7557=5, 2.8/2191=3...(6) HA TRP 88 + H ARG 124 OK 11 77 - 14 - 8930/4.8=3, 3.0/7555=2...(6) HA LEU 64 - H ARG 124 lone 5 81 - 6 - HA PHE 38 - H ARG 124 lone 3 72 - 4 - 4.9/7541=1 HA PHE 67 - H ARG 124 lone 2 77 - 3 - 7522/4.7=2 Peak 9489 from nnoeabs.peaks (1.47, 8.23, 109.39 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.87: HG LEU 126 + H GLY 125 OK 79 99 - 80 - 2.1/9496=31, 4290/4.6=22...(20) HB2 LYS 76 + H GLY 125 OK 26 89 - 29 - 7577/4.6=6, 2.9/7568=3...(12) HG3 LYS 86 + H GLY 125 OK 14 100 - 14 - 7577/4.6=3, 3.0/7561=2...(5) QB ALA 134 - H GLY 125 lone 7 77 - 9 - 2.9/7725=2, 3.7/7736=1...(5) Peak 9490 from nnoeabs.peaks (0.81, 8.23, 109.39 ppm; 4.88 A): 0 out of 3 assignments used, low quality = 0.31: QG1 VAL 80 - H GLY 125 OK 31 81 - 38 - 9476/4.7=10, 9954/3.6=8...(8) QD1 LEU 95 - H GLY 125 lone 6 89 - 7 - 3.1/7563=2, 3161/4.9=2 HG LEU 42 - H GLY 125 lone 3 92 - 3 - Peak 9491 from nnoeabs.peaks (0.66, 8.23, 109.39 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.49: QD2 LEU 66 + H GLY 125 OK 40 94 - 42 - 9475/4.7=30, 3.1/7564=4...(5) QD2 LEU 39 + H GLY 125 OK 15 96 - 16 - 9475/4.7=9, 11496/4.9=2 QD1 ILE 83 - H GLY 125 poor 9 72 - 12 - 10027/4.7=4, 10023/4.9=1 Peak 9498 from nnoeabs.peaks (2.45, 8.30, 115.99 ppm; 3.28 A): 2 out of 4 assignments used, quality = 0.82: HB3 GLU 131 + H ASN 128 OK 67 100 - 67 - 1.8/11644=14...(19) HG3 GLU 131 + H ASN 128 OK 47 81 - 58 - 2.9/11644=11, 10396=8...(17) HG3 GLU 28 - H ASN 128 lone 10 100 - 10 - 9502/4.7=2, 9501/4.7=2...(4) HG2 MET 11 - H ASN 128 lone 2 77 - 3 - Peak 9499 from nnoeabs.peaks (2.26, 8.30, 115.99 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.97: HG3 PRO 129 + H ASN 128 OK 93 100 - 93 - 9528/2.9=29, ~4347=20...(22) HG2 GLU 131 + H ASN 128 OK 57 77 - 74 - 2.9/9498=20...(17) HG3 GLU 142 - H ASN 128 OK 32 77 - 41 - 5.0/10354=12, 10395=9...(14) HB3 MET 113 - H ASN 128 OK 19 89 - 21 - 9504/2.9=3, 4355/4.8=3...(9) HG3 GLU 90 - H ASN 128 OK 12 98 - 12 - 4363/4.8=3, 4355/4.8=3...(5) HG2 GLU 90 - H ASN 128 OK 12 81 - 14 - 4363/4.8=2, 4355/4.8=2...(7) HG2 MET 113 - H ASN 128 OK 11 81 - 14 - 3.7/7597=2, 4355/4.8=2...(7) Peak 9500 from nnoeabs.peaks (2.10, 8.30, 115.99 ppm; 3.74 A): 3 out of 8 assignments used, quality = 0.78: HB2 GLU 131 + H ASN 128 OK 63 89 - 71 - 1.8/9498=22, 11644=20...(17) HB3 GLU 142 + H ASN 128 OK 32 100 - 32 - 4.0/10354=13...(12) HB3 LYS 36 + H ASN 128 OK 12 98 - 12 - 10612/2.9=8, 9512/5.6=1 HG3 PRO 33 - H ASN 128 lone 9 94 - 10 - 9505/2.9=1 HG2 PRO 33 - H ASN 128 lone 9 99 - 9 - 9512/5.6=1, 9505/2.9=1 HB3 GLN 25 - H ASN 128 lone 7 100 - 7 - 4360/4.8=1, ~10362=1, 4352/4.8=1 HG2 PRO 118 - H ASN 128 lone 6 89 - 6 - ~10263=2, 2.3/7596=1 HB VAL 53 - H ASN 128 lone 5 100 - 5 - 2.1/9523=2 Peak 9508 from nnoeabs.peaks (3.94, 7.72, 115.38 ppm; 4.78 A): 2 out of 5 assignments used, quality = 0.97: HD3 PRO 129 + HD21 ASN 128 OK 91 96 - 95 - 3.8/7605=32, 4.8/7606=25...(26) HD2 PRO 129 + HD21 ASN 128 OK 64 68 - 95 - 3.8/7605=32, 4.8/7606=25...(27) HA LYS 86 - HD21 ASN 128 OK 23 99 - 23 - 4350/4.6=7, 9507/3.4=5...(5) HA2 GLY 143 - HD21 ASN 128 OK 18 100 - 18 - 4348/4.6=7, 9506/3.4=4...(4) HA LEU 29 - HD21 ASN 128 lone 10 98 - 10 - 4350/4.6=4, 9507/3.4=2...(4) Peak 9509 from nnoeabs.peaks (3.92, 7.00, 115.38 ppm; 6.04 A): 1 out of 4 assignments used, quality = 0.99: HD2 PRO 129 + HD22 ASN 128 OK 99 100 - 99 - 4347/4.6=44, 4.8/7612=34...(27) HA LYS 86 - HD22 ASN 128 OK 28 94 - 30 - 4350/4.6=9, ~10272=8...(6) HA2 GLY 143 - HD22 ASN 128 OK 21 92 - 23 - 4348/4.6=10, 9506/3.4=4...(5) HA TYR 112 - HD22 ASN 128 lone 4 68 - 6 - 4348/4.6=2, 9506/3.4=1 Peak 9510 from nnoeabs.peaks (2.44, 7.00, 115.38 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.94: HG3 GLU 131 + HD22 ASN 128 OK 80 100 - 80 - 9513/1.7=13, 9518/3.4=13...(24) HB3 GLU 131 + HD22 ASN 128 OK 63 77 - 82 - 9513/1.7=14, 2.9/9511=10...(28) HB3 PRO 33 + HD22 ASN 128 OK 11 94 - 12 - 9518/3.4=2, 2.3/9512=2...(5) HG3 GLU 28 - HD22 ASN 128 lone 5 72 - 7 - 9518/3.4=2, 9513/1.7=1 HG2 MET 11 - HD22 ASN 128 lone 3 100 - 3 - HG2 MET 68 - HD22 ASN 128 lone 1 81 - 1 - Peak 9511 from nnoeabs.peaks (2.28, 7.00, 115.38 ppm; 4.43 A): 4 out of 8 assignments used, quality = 0.94: HG2 GLU 131 + HD22 ASN 128 OK 85 92 - 92 - 1.8/9510=22, 2.9/9510=15...(24) HG3 GLU 142 + HD22 ASN 128 OK 34 92 - 37 - 5.0/10374=7, 9519/3.4=6...(12) HG2 GLN 62 + HD22 ASN 128 OK 26 96 - 27 - 9514/1.7=6, ~9514=5...(11) HG3 GLN 62 + HD22 ASN 128 OK 24 89 - 27 - 9514/1.7=6, ~9514=5...(12) HB3 MET 113 - HD22 ASN 128 poor 9 81 - 11 - 9519/3.4=3, 9516/3.4=2...(4) HG2 GLU 90 - HD22 ASN 128 lone 8 89 - 9 - 9519/3.4=2, 9516/3.4=2 HG3 GLU 75 - HD22 ASN 128 lone 4 94 - 4 - 9514/1.7=1 HG3 GLU 81 - HD22 ASN 128 lone 3 98 - 3 - Peak 9512 from nnoeabs.peaks (2.10, 7.00, 115.38 ppm; 5.01 A): 2 out of 8 assignments used, quality = 0.92: HB2 GLU 131 + HD22 ASN 128 OK 86 89 - 96 - 2.9/9510=22, ~9517=21...(28) HB3 GLU 142 + HD22 ASN 128 OK 44 100 - 44 - 4.0/10374=10, 3.0/9511=7...(15) HG2 PRO 33 - HD22 ASN 128 OK 20 99 - 20 - 2.3/9510=3, ~9518=2...(9) HB3 LYS 36 - HD22 ASN 128 OK 20 98 - 20 - 10612/4.6=16, 9500/5.6=2 HG3 PRO 33 - HD22 ASN 128 OK 18 94 - 19 - 2.3/9510=3, ~9518=2...(9) HB VAL 53 - HD22 ASN 128 lone 9 100 - 9 - 2.1/9809=2, 2.1/10632=2 HB3 GLN 25 - HD22 ASN 128 lone 7 100 - 7 - ~10272=2, 9500/5.6=1, 9505/4.6=1 HG2 PRO 118 - HD22 ASN 128 lone 5 89 - 6 - 9500/5.6=1 Peak 9513 from nnoeabs.peaks (2.45, 7.72, 115.38 ppm; 4.10 A): 2 out of 5 assignments used, quality = 0.98: HB3 GLU 131 + HD21 ASN 128 OK 88 96 - 91 - 9517/3.4=17, 9510/1.7=15...(28) HG3 GLU 131 + HD21 ASN 128 OK 85 96 - 89 - 9510/1.7=19, 4467=16...(25) HG3 GLU 28 - HD21 ASN 128 lone 9 94 - 9 - 9518/3.4=2, 9517/3.4=2...(4) HB3 PRO 33 - HD21 ASN 128 poor 8 72 - 12 - 9510/1.7=3, 9518/3.4=3...(5) HG2 MET 11 - HD21 ASN 128 lone 4 94 - 4 - Peak 9514 from nnoeabs.peaks (2.29, 7.72, 115.38 ppm; 4.79 A): 4 out of 8 assignments used, quality = 0.86: HG2 GLU 131 + HD21 ASN 128 OK 64 68 - 94 - 1.8/9513=20, ~9510=19...(22) HG3 GLN 62 + HD21 ASN 128 OK 30 100 - 30 - 9511/1.7=5, ~9511=4...(12) HG2 GLN 62 + HD21 ASN 128 OK 30 100 - 30 - 9511/1.7=5, ~9511=4...(11) HG3 GLU 142 + HD21 ASN 128 OK 24 68 - 35 - 9511/1.7=7, 5.0/10373=6...(13) HG3 GLU 75 - HD21 ASN 128 lone 5 100 - 5 - 8643/8294=1 HG2 GLU 90 - HD21 ASN 128 lone 5 62 - 8 - 9519/3.4=2, 9516/3.4=2 HG3 GLU 81 - HD21 ASN 128 lone 5 100 - 5 - 9969/9961=1 HG2 GLU 120 - HD21 ASN 128 lone 4 81 - 5 - 9519/3.4=2, 9516/3.4=1 Peak 9523 from nnoeabs.peaks (0.90, 8.30, 115.99 ppm; 4.15 A): 3 out of 7 assignments used, quality = 0.63: QG2 VAL 80 + H ASN 128 OK 53 100 - 54 - 9951/4.7=20, 9962=14...(10) QD1 ILE 101 + H ASN 128 OK 11 85 - 13 - 9521/4.7=3, 9520/4.7=3...(5) QG2 ILE 136 + H ASN 128 OK 10 72 - 14 - 9520/4.7=4, 9521/4.7=4 QG1 VAL 63 - H ASN 128 lone 8 81 - 10 - 9520/4.7=2...(3) QG2 ILE 101 - H ASN 128 poor 8 72 - 11 - 9520/4.7=3, 9521/4.7=2 QG1 VAL 53 - H ASN 128 lone 6 85 - 7 - 2.1/9500=1, 9520/4.7=1 QD1 LEU 97 - H ASN 128 lone 3 62 - 5 - Peak 9545 from nnoeabs.peaks (2.45, 8.68, 117.41 ppm; 3.98 A): 3 out of 5 assignments used, quality = 0.85: HB3 GLU 131 + H ASN 130 OK 59 96 - 61 - 4.0/7628=24, 3.0/9546=13...(12) HG3 GLU 131 + H ASN 130 OK 55 96 - 57 - 5.0/7628=18, 4.2/9546=12...(14) HB3 PRO 33 + H ASN 130 OK 17 72 - 23 - 9542/4.0=11, 9539/4.0=5...(5) HG3 GLU 28 - H ASN 130 lone 8 94 - 8 - 8049/4.0=2, 7651/4.6=1 HG2 MET 11 - H ASN 130 lone 5 94 - 5 - 9542/4.0=2 Peak 9546 from nnoeabs.peaks (4.13, 8.68, 117.41 ppm; 5.81 A): 1 out of 3 assignments used, quality = 0.79: HA GLU 131 + H ASN 130 OK 79 92 - 86 - 3.0/7628=42, 3.6/7657=28...(11) HA LEU 126 - H ASN 130 poor 9 68 - 13 - 7649/4.6=5, 4448/9545=2...(5) HA ARG 145 - H ASN 130 lone 2 85 - 2 - Peak 9547 from nnoeabs.peaks (0.80, 7.73, 121.57 ppm; 4.43 A): 3 out of 4 assignments used, quality = 0.77: QG1 VAL 80 + H LEU 132 OK 68 98 - 69 - 2.1/9548=20...(13) QD2 LEU 126 + H LEU 132 OK 18 81 - 22 - 9557/4.6=5, 10404/4.6=5...(7) QD1 LEU 95 + H LEU 132 OK 12 62 - 20 - 9554/3.6=6, 10404/4.6=4...(8) HG LEU 42 - H LEU 132 poor 8 68 - 11 - 9554/3.6=4, 10404/4.6=2...(4) Peak 9548 from nnoeabs.peaks (0.90, 7.73, 121.57 ppm; 3.55 A): 4 out of 4 assignments used, quality = 0.91: QG2 VAL 80 + H LEU 132 OK 72 92 - 79 - 2.1/9547=15, 8763=14...(17) QG1 VAL 53 + H LEU 132 OK 41 99 - 42 - 11616/2.8=7, 9600/4.1=6...(16) QG1 VAL 63 + H LEU 132 OK 27 98 - 27 - 9600/4.1=4, 10937/4.6=4...(9) QD2 LEU 29 + H LEU 132 OK 23 72 - 32 - 3.2/10425=6, 10291/4.6=5...(12) Peak 9549 from nnoeabs.peaks (1.95, 8.18, 122.13 ppm; 4.77 A): 2 out of 9 assignments used, quality = 0.47: HB3 GLU 122 + H GLU 131 OK 27 94 - 29 - 1.8/9550=14...(7) HB2 LYS 61 + H GLU 131 OK 27 89 - 30 - ~4441=5, 1663/4.0=4...(10) HB3 PRO 52 - H GLU 131 poor 9 81 - 11 - 3.9/7643=6, 4068/9550=1 HB3 PRO 98 - H GLU 131 lone 8 100 - 8 - 4.2/10393=4 HB2 LYS 34 - H GLU 131 poor 7 62 - 11 - 2.9/9550=7 HB ILE 56 - H GLU 131 lone 5 94 - 5 - HB3 MET 11 - H GLU 131 lone 4 68 - 6 - 3.0/7653=2 HG2 PRO 52 - H GLU 131 lone 4 85 - 4 - 4068/9550=1 HB2 ARG 89 - H GLU 131 lone 1 62 - 2 - Peak 9550 from nnoeabs.peaks (1.50, 8.18, 122.13 ppm; 4.50 A): 4 out of 6 assignments used, quality = 0.60: HB2 GLU 122 + H GLU 131 OK 30 96 - 31 - 1.8/9549=11...(7) HG13 ILE 101 + H GLU 131 OK 24 72 - 33 - 2.1/9552=8, 3.2/9552=6...(10) HG2 LYS 34 + H GLU 131 OK 17 99 - 17 - 9556/4.0=5, 10425/4.5=3...(4) HD3 LYS 114 + H GLU 131 OK 11 81 - 14 - 3.0/7645=5, 9556/4.0=2...(4) HB2 LYS 123 - H GLU 131 lone 4 72 - 5 - 4111/10410=2, 9556/4.0=1 HG3 PRO 57 - H GLU 131 lone 2 62 - 3 - Peak 9551 from nnoeabs.peaks (1.28, 8.18, 122.13 ppm; 5.41 A): 0 out of 4 assignments used, low quality = 0.34: QB ALA 104 - H GLU 131 OK 15 100 - 15 - 10156/9661=3...(7) HG12 ILE 58 - H GLU 131 OK 12 100 - 12 - 4.5/7655=6, 10117/9553=1 HG13 ILE 58 - H GLU 131 OK 11 92 - 12 - 4.5/7655=6, 10117/9553=1 QG2 THR 102 - H GLU 131 lone 3 68 - 4 - Peak 9552 from nnoeabs.peaks (0.89, 8.18, 122.13 ppm; 4.91 A): 5 out of 5 assignments used, quality = 0.95: QG2 VAL 80 + H GLU 131 OK 75 92 - 82 - 9958=22, ~9554=14...(19) QD1 ILE 101 + H GLU 131 OK 46 100 - 46 - 2.1/9550=11, 9555/3.0=8...(12) QG2 ILE 101 + H GLU 131 OK 41 100 - 42 - 3.2/9550=10, 9555/3.0=7...(13) QD1 LEU 97 + H GLU 131 OK 19 98 - 19 - 10136/4.6=5, 9555/3.0=2...(6) QG2 ILE 136 + H GLU 131 OK 16 100 - 16 - 9596/10410=3, 9555/3.0=2...(7) Peak 9553 from nnoeabs.peaks (0.82, 8.18, 122.13 ppm; 6.30 A): 2 out of 2 assignments used, quality = 0.52: QD1 LEU 95 + H GLU 131 OK 36 100 - 37 - 9554/3.0=12...(8) HG LEU 42 + H GLU 131 OK 24 100 - 24 - 9554/3.0=7...(8) Peak 9564 from nnoeabs.peaks (2.68, 7.73, 121.57 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.61: HB3 TYR 115 + H LEU 132 OK 30 98 - 31 - 8024/4.1=13, 1.8/9589=7...(6) HB3 ASP 13 + H LEU 132 OK 19 100 - 19 - 8024/4.1=7, 8021/3.6=5 HB2 ASP 137 + H LEU 132 OK 19 85 - 22 - 3.8/10478=17, 10323/10425=2 HB2 ASP 32 + H LEU 132 OK 15 92 - 16 - ~8090=3, ~8090=3...(4) HB2 PHE 43 - H LEU 132 lone 6 100 - 6 - 11632/10425=2, 7767/10478=1 HB3 ASP 16 - H LEU 132 lone 4 77 - 5 - 9575/4.4=1 Peak 9588 from nnoeabs.peaks (2.83, 7.73, 121.57 ppm; 5.21 A): 2 out of 5 assignments used, quality = 0.76: HB2 ASN 130 + H LEU 132 OK 73 94 - 77 - 3.0/7658=36, 4.7/7659=29...(7) HE3 LYS 114 + H LEU 132 OK 11 85 - 13 - 7645/4.5=4, 3.0/10425=3...(4) HB2 ASN 139 - H LEU 132 lone 7 94 - 7 - 7645/4.5=2, 4409/7658=1 HB2 ASP 40 - H LEU 132 lone 4 100 - 4 - 7645/4.5=1 HB3 ASN 54 - H LEU 132 lone 2 100 - 2 - Peak 9589 from nnoeabs.peaks (2.96, 7.73, 121.57 ppm; 6.80 A): 9 out of 10 assignments used, quality = 0.82: HA VAL 71 + H LEU 132 OK 34 68 - 51 - 4.9/9590=18, 8497/3.6=10...(9) HB2 TYR 115 + H LEU 132 OK 28 94 - 30 - 1.8/9564=14, 9367/4.1=9 HE2 LYS 85 + H LEU 132 OK 16 89 - 18 - 9569/4.6=5, 10764/2.8=2...(6) HE2 LYS 93 + H LEU 132 OK 15 92 - 17 - 10764/2.8=4, 9569/4.6=4...(4) HB2 PHE 106 + H LEU 132 OK 13 96 - 13 - 3430/7672=3, 9569/4.6=3 HE2 LYS 48 + H LEU 132 OK 13 94 - 14 - 9569/4.6=4, 9566/7664=1...(4) HB3 TYR 27 + H LEU 132 OK 13 81 - 16 - 11208/9590=5, 4.7/7672=4 HE3 LYS 85 + H LEU 132 OK 11 68 - 16 - 9569/4.6=5, ~10764=2...(6) HE3 LYS 48 + H LEU 132 OK 10 81 - 12 - 9569/4.6=4, ~10764=1...(4) HB3 PHE 67 - H LEU 132 lone 8 96 - 8 - 9569/4.6=3 Peak 9590 from nnoeabs.peaks (3.86, 7.73, 121.57 ppm; 5.69 A): 0 out of 2 assignments used, low quality = 0.19: HA LYS 36 - H LEU 132 OK 10 85 - 12 - 8195/4.8=3, 3.0/7661=2 HA LEU 72 - H LEU 132 OK 10 85 - 12 - 4.9/9589=4, 9583/4.1=3 Peak 9603 from nnoeabs.peaks (2.77, 7.79, 114.47 ppm; 6.09 A): 0 out of 8 assignments used, low quality = 0.19: HB2 ASP 41 - HE22 GLN 133 OK 10 99 - 10 - 3.0/10441=6, 899/10441=1 HE3 LYS 76 - HE22 GLN 133 OK 10 96 - 11 - 8900/11404=5...(3) HE2 LYS 76 - HE22 GLN 133 poor 9 85 - 10 - 8900/11404=4...(3) HG3 GLN 111 - HE22 GLN 133 lone 6 77 - 7 - 10752/10453=1, 3649/4.5=1 HE2 LYS 114 - HE22 GLN 133 lone 5 89 - 6 - 9676/9607=1 HB3 ASP 40 - HE22 GLN 133 lone 3 68 - 4 - HB3 ASN 84 - HE22 GLN 133 lone 3 72 - 3 - HB3 TYR 119 - HE22 GLN 133 lone 1 68 - 2 - Peak 9604 from nnoeabs.peaks (2.76, 7.69, 119.76 ppm; 5.39 A): 5 out of 9 assignments used, quality = 0.94: HB3 ASP 137 + H ALA 134 OK 52 57 - 90 - 3.8/10449=29, ~4572=26...(11) HE3 LYS 76 + H ALA 134 OK 51 100 - 51 - 9641/2.9=9, 4573/2.8=7...(16) HE2 LYS 76 + H ALA 134 OK 50 99 - 50 - 9641/2.9=9, 4573/2.8=7...(16) HE2 LYS 114 + H ALA 134 OK 30 100 - 30 - 9641/2.9=6, 4573/2.8=4...(12) HB3 PHE 43 + H ALA 134 OK 30 57 - 52 - ~11632=20, ~10323=9...(10) HG3 MET 113 - H ALA 134 poor 9 72 - 13 - 10193/3.6=2, ~9639=2...(5) HB3 ASP 40 - H ALA 134 lone 5 92 - 5 - HB2 ASN 54 - H ALA 134 lone 4 77 - 5 - HB2 ASP 41 - H ALA 134 lone 3 85 - 3 - Peak 9606 from nnoeabs.peaks (1.94, 7.79, 114.47 ppm; 4.53 A): 0 out of 10 assignments used, low quality = 0.39: HB3 PRO 52 - HE22 GLN 133 OK 16 100 - 16 - 9609/1.7=8, ~9609=6 HG2 PRO 52 - HE22 GLN 133 OK 16 100 - 16 - 9609/1.7=8, ~9609=6 HB3 GLU 122 - HE22 GLN 133 OK 14 100 - 14 - 9609/1.7=13 HB2 ARG 140 - HE22 GLN 133 lone 7 81 - 9 - 4712/10441=2...(3) HB2 ARG 89 - HE22 GLN 133 lone 7 98 - 8 - 9609/1.7=3, 4613/9607=1 HB3 LEU 132 - HE22 GLN 133 lone 6 68 - 9 - 4528/5.3=3, 7680/6.4=2...(4) HG2 PRO 12 - HE22 GLN 133 lone 3 77 - 3 - HG3 PRO 12 - HE22 GLN 133 lone 2 62 - 4 - HB2 GLN 62 - HE22 GLN 133 lone 1 77 - 2 - HB3 PRO 98 - HE22 GLN 133 lone 1 72 - 2 - Peak 9607 from nnoeabs.peaks (0.88, 7.79, 114.47 ppm; 3.63 A): 1 out of 6 assignments used, quality = 0.63: QG2 ILE 136 + HE22 GLN 133 OK 63 100 - 63 - 9665/1.7=19...(11) QG2 ILE 101 - HE22 GLN 133 lone 9 100 - 9 - 9169/5.3=2, 4638/10453=2 QG2 VAL 80 - HE22 GLN 133 poor 8 77 - 11 - 9957/6.4=5, 9617/5.3=3 QD1 ILE 101 - HE22 GLN 133 lone 8 99 - 8 - 9617/5.3=2, 4638/10453=2 QD1 LEU 97 - HE22 GLN 133 lone 4 100 - 4 - HB3 LEU 42 - HE22 GLN 133 lone 0 72 - 1 - Peak 9608 from nnoeabs.peaks (0.77, 7.79, 114.47 ppm; 4.41 A): 4 out of 6 assignments used, quality = 0.78: QD1 ILE 136 + HE22 GLN 133 OK 61 85 - 72 - 10453=26, 3.0/9607=26...(9) QG2 VAL 73 + HE22 GLN 133 OK 20 81 - 24 - 8554/1.7=8, ~8552=6...(8) QD1 LEU 72 + HE22 GLN 133 OK 17 89 - 20 - 9911/3.5=6, 9911/3.5=5...(5) QD2 LEU 72 + HE22 GLN 133 OK 14 98 - 14 - 9618/5.3=3, 9952/3.5=2...(6) QD2 LEU 95 - HE22 GLN 133 lone 2 81 - 2 - QD1 LEU 79 - HE22 GLN 133 lone 1 62 - 2 - Peak 9609 from nnoeabs.peaks (1.94, 6.81, 114.47 ppm; 4.71 A): 3 out of 7 assignments used, quality = 0.49: HB3 GLU 122 + HE21 GLN 133 OK 27 100 - 27 - 4.7/10437=20, 9606/1.7=7 HG2 PRO 52 + HE21 GLN 133 OK 17 96 - 17 - 9606/1.7=8, ~9606=6 HB3 PRO 52 + HE21 GLN 133 OK 16 94 - 17 - 9606/1.7=8, ~9606=6 HB2 ARG 89 - HE21 GLN 133 lone 6 81 - 7 - 9606/1.7=4 HB ILE 56 - HE21 GLN 133 lone 3 81 - 3 - 10341/9664=1 HB3 PRO 98 - HE21 GLN 133 lone 2 94 - 2 - HB2 LYS 61 - HE21 GLN 133 lone 1 72 - 2 - Peak 9610 from nnoeabs.peaks (0.91, 6.81, 114.47 ppm; 3.94 A): 0 out of 5 assignments used, low quality = 0.44: QD2 LEU 29 - HE21 GLN 133 OK 25 94 - 27 - 8066/3.5=7, 8066/3.5=6...(9) QG1 VAL 53 - HE21 GLN 133 OK 17 100 - 17 - 8185/3.5=4, 8185/3.5=3...(6) QG2 VAL 80 - HE21 GLN 133 OK 10 68 - 15 - 9957/6.4=5, 9617/5.3=4...(5) QG1 VAL 63 - HE21 GLN 133 lone 7 100 - 7 - 9622/6.4=1, 8185/3.5=1...(4) HB2 LEU 64 - HE21 GLN 133 lone 2 81 - 2 - Peak 9611 from nnoeabs.peaks (0.88, 7.69, 119.76 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: QG2 ILE 101 + H ALA 134 OK 92 96 - 96 - 3.1/10543=20, ~9637=14...(43) QG2 ILE 136 + H ALA 134 OK 87 96 - 90 - 4.3/10449=38...(21) QD1 ILE 101 + H ALA 134 OK 83 89 - 94 - 10543=17, ~9637=12...(36) QD1 LEU 97 + H ALA 134 OK 57 99 - 58 - ~9651=25, ~9624=18...(12) HB3 LEU 42 - H ALA 134 OK 20 92 - 21 - ~9624=9, ~10739=3...(5) QG2 ILE 56 - H ALA 134 OK 18 81 - 22 - 9617/3.6=4, 9629/3.5=3...(5) Peak 9612 from nnoeabs.peaks (0.77, 7.69, 119.76 ppm; 6.73 A): 6 out of 6 assignments used, quality = 0.92: QD1 ILE 136 + H ALA 134 OK 67 85 - 79 - 4.8/7741=30, 9618/3.6=20...(18) QD1 LEU 79 + H ALA 134 OK 29 62 - 47 - ~9631=39, 9630/3.5=5, 9621/3.2=1 QD1 LEU 72 + H ALA 134 OK 24 89 - 27 - 9618/3.6=7, ~9650=3...(8) QD2 LEU 72 + H ALA 134 OK 24 98 - 25 - 9618/3.6=6, ~9650=3...(6) QG2 VAL 73 + H ALA 134 OK 23 81 - 28 - 9618/3.6=6, 4.4/7725=5...(8) QD2 LEU 95 + H ALA 134 OK 22 81 - 28 - ~9624=16, ~9637=4...(4) Peak 9621 from nnoeabs.peaks (0.79, 8.04, 118.25 ppm; 4.47 A): 5 out of 5 assignments used, quality = 0.77: QG1 VAL 80 + H GLN 133 OK 48 89 - 54 - 2.1/9957=28, ~9617=7...(10) QD1 LEU 79 + H GLN 133 OK 30 96 - 31 - 8741/4.7=11, 10296/3.8=6...(7) QD2 LEU 126 + H GLN 133 OK 14 100 - 14 - 3.9/7676=4, 2428/9957=2...(6) QD2 LEU 95 + H GLN 133 OK 14 85 - 16 - 8741/4.7=4, 10407/3.8=3...(4) QG2 THR 74 + H GLN 133 OK 13 99 - 13 - 8741/4.7=3, 10407/3.8=3...(5) Peak 9622 from nnoeabs.peaks (0.91, 8.04, 118.25 ppm; 4.87 A): 3 out of 5 assignments used, quality = 0.95: QD2 LEU 29 + H GLN 133 OK 75 94 - 80 - ~9616=14, 10834/3.2=13...(25) QG1 VAL 53 + H GLN 133 OK 57 100 - 57 - 9600/4.6=9, 9596/4.7=9...(15) QG2 VAL 80 + H GLN 133 OK 56 68 - 83 - 9957=22, 9600/4.6=18...(18) QG1 VAL 63 - H GLN 133 OK 35 100 - 35 - 9600/4.6=6, 9596/4.7=5...(13) HB2 LEU 64 - H GLN 133 lone 8 81 - 9 - ~9615=3, 360/9623=1, 8272/1561=1 Peak 9623 from nnoeabs.peaks (1.49, 8.04, 118.25 ppm; 3.87 A): 4 out of 6 assignments used, quality = 0.85: QB ALA 134 + H GLN 133 OK 51 62 - 81 - 2.9/7714=35...(14) HB3 LEU 29 + H GLN 133 OK 49 94 - 52 - 9614/2.8=9, ~9616=7...(20) HG13 ILE 101 + H GLN 133 OK 35 99 - 36 - ~10543=7, 9614/2.8=6...(15) HG2 LYS 34 + H GLN 133 OK 10 98 - 10 - 10425/4.7=3, 516/3.6=2...(5) HD3 LYS 114 - H GLN 133 lone 9 100 - 9 - 9614/2.8=2, 10425/4.7=1, ~9604=1 HB2 GLU 122 - H GLN 133 poor 8 62 - 13 - 11037/4.7=6, 9550/7655=2...(5) Peak 9629 from nnoeabs.peaks (0.87, 7.85, 122.13 ppm; 4.08 A): 6 out of 8 assignments used, quality = 0.94: QG2 ILE 136 + H ALA 135 OK 69 77 - 89 - 4.0/7743=25...(29) QG2 ILE 101 + H ALA 135 OK 39 77 - 51 - 10319/2.9=9, 3.2/7732=6...(19) QG2 ILE 83 + H ALA 135 OK 32 62 - 52 - ~10443=7, ~9643=7...(15) QD1 ILE 101 + H ALA 135 OK 28 62 - 45 - 10319/2.9=7, 2.1/7733=7...(16) QD1 LEU 97 + H ALA 135 OK 17 85 - 19 - 10444/2.9=6, 9113/2.8=2...(7) QG2 ILE 56 + H ALA 135 OK 16 98 - 16 - ~9680=5, 10444/2.9=4...(4) HB3 LEU 42 - H ALA 135 lone 9 100 - 9 - 9651/3.6=2, 3.2/10739=2 QD1 LEU 64 - H ALA 135 lone 6 81 - 7 - 10444/2.9=2, ~11012=2, ~10628=1 Peak 9630 from nnoeabs.peaks (0.78, 7.85, 122.13 ppm; 4.09 A): 5 out of 5 assignments used, quality = 0.90: QD1 LEU 79 + H ALA 135 OK 57 100 - 57 - 2.1/9631=32, ~9680=11...(12) QG1 VAL 80 + H ALA 135 OK 39 68 - 57 - 2.1/9956=15, 9627/2.9=15...(12) QD2 LEU 95 + H ALA 135 OK 31 98 - 32 - 9627/2.9=5, ~9643=4...(14) QG2 THR 74 + H ALA 135 OK 28 100 - 28 - 2.1/9656=5, 9627/2.9=4...(8) QD2 LEU 126 + H ALA 135 OK 25 92 - 27 - 9627/2.9=6, 3.9/7727=4...(8) Peak 9631 from nnoeabs.peaks (0.61, 7.85, 122.13 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.54: QD2 LEU 79 + H ALA 135 OK 54 99 - 55 - 9680/3.1=20, 2.1/9630=13...(14) Peak 9633 from nnoeabs.peaks (1.93, 7.85, 122.13 ppm; 4.39 A): 5 out of 11 assignments used, quality = 0.93: HB3 LEU 132 + H ALA 135 OK 79 89 - 89 - 3.8/7729=22, 2.9/4476=22...(23) HB2 PRO 118 + H ALA 135 OK 46 77 - 60 - 2.3/11551=10, 2.3/3947=9...(21) HB3 GLU 122 + H ALA 135 OK 19 92 - 20 - 4075/2.9=3...(10) HB2 ARG 140 + H ALA 135 OK 13 96 - 13 - ~7750=2, ~7744=1...(4) HG2 PRO 12 + H ALA 135 OK 12 94 - 13 - ~9643=2, ~9644=2...(4) HG3 PRO 12 - H ALA 135 poor 10 85 - 11 - ~9643=2, 9644/2.9=2, ~9643=2 HB2 GLN 62 - H ALA 135 lone 7 94 - 8 - 8342/9956=2, 8347/10411=2 HB2 MET 59 - H ALA 135 lone 7 68 - 10 - 9644/2.9=2, ~7710=2...(4) HB2 ARG 89 - H ALA 135 lone 6 100 - 6 - HB3 PRO 52 - H ALA 135 lone 4 99 - 4 - HG2 PRO 52 - H ALA 135 lone 3 98 - 3 - Peak 9634 from nnoeabs.peaks (2.15, 7.85, 122.13 ppm; 4.92 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLN 133 + H ALA 135 OK 92 100 - 92 - 4.5/7724=27, 4.0/7729=27...(26) HB2 GLN 133 + H ALA 135 OK 91 99 - 92 - 4.5/7724=27, 4.0/7729=27...(26) HG3 PRO 118 + H ALA 135 OK 66 85 - 78 - 11551=11, 2.3/7728=11...(24) HG LEU 29 + H ALA 135 OK 53 85 - 61 - 3.0/7733=10, ~10834=9...(20) HG2 GLU 81 - H ALA 135 OK 13 94 - 13 - 8779/2.9=3, ~8786=2...(4) Peak 9635 from nnoeabs.peaks (2.43, 7.85, 122.13 ppm; 6.49 A): 3 out of 8 assignments used, quality = 0.95: HG3 GLU 131 + H ALA 135 OK 66 96 - 68 - 4.2/10391=32, ~10320=22...(11) HG2 GLN 133 + H ALA 135 OK 63 68 - 94 - 4.5/7729=36, 9640/3.7=15...(20) HG3 GLN 133 + H ALA 135 OK 58 62 - 93 - 4.5/7729=36, ~4538=14...(19) HG2 MET 68 - H ALA 135 OK 33 98 - 34 - ~9644=4, 9640/3.7=4...(13) HG2 GLN 47 - H ALA 135 OK 28 85 - 33 - 9640/3.7=5, ~4557=4...(11) HG3 GLN 47 - H ALA 135 OK 28 85 - 33 - 9640/3.7=5, ~4557=4...(11) HB3 PRO 33 - H ALA 135 OK 13 100 - 13 - 9640/3.7=4, 4436/10391=2 HG2 MET 11 - H ALA 135 lone 8 98 - 8 - Peak 9647 from nnoeabs.peaks (1.91, 7.69, 119.76 ppm; 4.77 A): 4 out of 16 assignments used, quality = 0.99: HB2 PRO 118 + H ALA 134 OK 78 89 - 88 - ~9649=15, 3.0/7715=11...(33) HB3 LEU 132 + H ALA 134 OK 68 77 - 88 - 3.6/7672=39, 3.8/7714=38...(16) HB ILE 136 + H ALA 134 OK 67 100 - 67 - 3.9/7725=22...(15) HB ILE 101 + H ALA 134 OK 66 81 - 82 - 3.2/10543=11...(35) QE MET 68 - H ALA 134 OK 22 98 - 23 - 1992/3.6=4, 9637/2.9=3...(8) HG13 ILE 83 - H ALA 134 OK 19 100 - 19 - ~9651=4, 9644/9657=2...(7) HB3 LEU 69 - H ALA 134 OK 18 94 - 19 - ~9650=3, ~7681=3...(6) HB2 MET 59 - H ALA 134 OK 17 94 - 17 - 3.0/7710=5, ~7674=3...(4) HB2 LYS 86 - H ALA 134 OK 17 99 - 16 - 2686/2.9=3, ~2697=2...(5) HG3 PRO 12 - H ALA 134 lone 7 81 - 9 - ~9633=1, ~7680=1, 9644/9657=1 HB2 GLN 62 - H ALA 134 lone 6 68 - 10 - 4.0/7712=3, 1756/7672=2 HB2 ARG 140 - H ALA 134 poor 6 62 - 10 - 7761/10449=1 HB2 LYS 24 - H ALA 134 lone 6 77 - 8 - 11350/7672=1 HG2 PRO 12 - H ALA 134 lone 6 68 - 8 - ~7680=1, ~9633=1 HB3 ARG 89 - H ALA 134 lone 5 77 - 7 - 9637/2.9=1 HB3 GLN 111 - H ALA 134 lone 5 68 - 8 - ~9649=1 Peak 9652 from nnoeabs.peaks (2.75, 8.22, 118.96 ppm; 4.64 A): 4 out of 9 assignments used, quality = 0.95: HB3 ASP 137 + H ILE 136 OK 83 99 - 84 - 4658/3.4=36, ~4652=24...(10) HE2 LYS 76 + H ILE 136 OK 39 92 - 43 - 3.0/10464=17, 3.0/7745=5...(13) HE3 LYS 76 + H ILE 136 OK 33 77 - 42 - 3.0/10464=17, 3.0/7745=5...(13) HG3 MET 113 + H ILE 136 OK 27 100 - 27 - 9327/9680=10, 9670/4.8=5...(5) HB3 PHE 43 - H ILE 136 OK 27 99 - 28 - 7768/3.4=8, ~7767=5...(9) HE2 LYS 114 - H ILE 136 OK 22 89 - 25 - ~4600=4, ~9694=3...(8) HB3 ASP 40 - H ILE 136 OK 18 99 - 18 - ~4600=3, ~4600=3...(7) HB2 ASN 54 - H ILE 136 OK 10 100 - 10 - 9670/4.8=1, 10447/3.9=1 HB2 ASN 96 - H ILE 136 lone 5 77 - 6 - Peak 9656 from nnoeabs.peaks (3.71, 7.85, 122.13 ppm; 4.97 A): 2 out of 5 assignments used, quality = 0.95: HA ILE 136 + H ALA 135 OK 92 100 - 92 - 2.9/7743=40, 3.6/7757=28...(19) HA ILE 91 + H ALA 135 OK 36 96 - 38 - 9654/2.9=23, 7746/3.1=8...(6) HB THR 74 - H ALA 135 OK 34 92 - 37 - 2191/3.1=8, 2.1/9630=7...(11) HA THR 107 - H ALA 135 OK 25 99 - 26 - 7746/3.1=7, ~7753=6...(5) HA LEU 108 - H ALA 135 lone 5 68 - 7 - 7746/3.1=2, 9582/10411=2 Peak 9680 from nnoeabs.peaks (0.61, 8.22, 118.96 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.53: QD2 LEU 79 + H ILE 136 OK 39 92 - 43 - 9631/3.1=26, ~9630=6...(7) QD1 ILE 56 + H ILE 136 OK 23 68 - 34 - 9683/4.0=11, 9681/2.9=11...(7) Peak 9694 from nnoeabs.peaks (1.50, 8.45, 121.14 ppm; 4.03 A): 5 out of 6 assignments used, quality = 0.75: HG13 ILE 101 + H ASP 137 OK 52 85 - 61 - 9707/3.8=13...(17) HD3 LYS 114 + H ASP 137 OK 25 92 - 27 - 9707/3.8=6, 9699/3.2=6...(6) HG2 LYS 34 + H ASP 137 OK 12 100 - 12 - 9699/3.2=5, 9707/3.8=2 HB2 LYS 123 + H ASP 137 OK 12 57 - 21 - 4.2/7759=5, 9699/3.2=4...(8) HB2 GLU 122 + H ASP 137 OK 10 89 - 11 - 9699/3.2=4, 9693/3.6=2...(4) HB3 LEU 29 - H ASP 137 poor 9 72 - 13 - ~9702=3, 9614/9601=3...(5) Peak 9697 from nnoeabs.peaks (1.90, 8.14, 115.13 ppm; 4.08 A): 4 out of 12 assignments used, quality = 0.94: HB ILE 136 + H SER 138 OK 75 89 - 85 - 4.6/7776=23, 3.9/7774=22...(17) HB ILE 101 + H SER 138 OK 49 100 - 49 - 3.0/9699=8, ~10174=6...(14) HB3 ARG 140 + H SER 138 OK 39 81 - 48 - 4.0/7815=15, 4722/3.6=9...(14) HB3 LYS 93 + H SER 138 OK 26 77 - 34 - ~10344=7, 9717/2.9=5...(11) HB3 ARG 141 - H SER 138 OK 22 62 - 36 - ~10469=9, ~10344=8...(10) HB3 ARG 89 - H SER 138 OK 21 100 - 21 - 4650/3.6=5, 9709/4.5=3...(8) HB3 GLN 111 - H SER 138 OK 19 98 - 19 - 2.9/10484=4, 9717/2.9=3...(6) QE MET 68 - H SER 138 OK 17 99 - 18 - 4.6/10474=3, ~10471=2...(4) HG13 ILE 83 - H SER 138 OK 17 81 - 21 - 4649/3.6=3, 3.0/9698=3...(10) HB3 LEU 69 - H SER 138 OK 15 100 - 15 - 9717/2.9=2, 2021/4.0=2...(4) HB2 LYS 24 - H SER 138 OK 10 100 - 10 - 3.0/9700=1 HB2 LYS 86 - H SER 138 lone 4 72 - 5 - ~10345=1 Peak 9698 from nnoeabs.peaks (1.75, 8.14, 115.13 ppm; 4.88 A): 6 out of 7 assignments used, quality = 0.88: HG3 ARG 140 + H SER 138 OK 55 96 - 57 - 10498/3.6=19...(12) HD2 LYS 36 + H SER 138 OK 29 68 - 42 - 3.0/9712=12, 3.0/9712=12...(8) HG LEU 95 + H SER 138 OK 27 72 - 37 - ~10345=8, 9703/3.6=4...(13) HB ILE 83 + H SER 138 OK 23 94 - 25 - 9703/3.6=7, ~10014=5...(6) HB2 ARG 49 + H SER 138 OK 23 98 - 23 - 1248/2.9=3, ~1257=2...(11) HB2 GLU 81 + H SER 138 OK 10 94 - 11 - 4.0/9714=7, 9703/3.6=1 HB2 PRO 12 - H SER 138 lone 6 68 - 9 - 3.9/10954=5, 9703/3.6=2 Peak 9699 from nnoeabs.peaks (1.50, 8.14, 115.13 ppm; 3.83 A): 5 out of 7 assignments used, quality = 0.62: HG13 ILE 101 + H SER 138 OK 24 62 - 39 - 9694/3.2=11, 9707/4.5=9...(9) HD3 LYS 114 + H SER 138 OK 20 72 - 27 - 9694/3.2=5, 9707/4.5=5...(8) HG2 LYS 34 + H SER 138 OK 16 96 - 16 - 9721/4.0=5, 9721/4.0=5...(5) HB2 LYS 123 + H SER 138 OK 14 81 - 17 - 9721/4.0=4, 9721/4.0=4...(5) HB2 GLU 122 + H SER 138 OK 13 99 - 14 - 4066/4.0=3, 4066/4.0=3...(5) HG3 PRO 57 - H SER 138 lone 5 72 - 7 - 9721/4.0=2, 9721/4.0=2 HG3 LYS 85 - H SER 138 lone 3 62 - 4 - Peak 9700 from nnoeabs.peaks (1.41, 8.14, 115.13 ppm; 5.19 A): 6 out of 7 assignments used, quality = 0.94: HB2 ARG 35 + H SER 138 OK 49 94 - 52 - 3.6/9714=20, 11624=15...(5) HD2 LYS 114 + H SER 138 OK 48 99 - 48 - 1.8/9699=10, 3788/4.0=7...(14) HG2 LYS 36 + H SER 138 OK 45 100 - 45 - 3.9/9712=12, 3.9/9712=11...(10) HG3 LYS 93 + H SER 138 OK 42 100 - 42 - ~10345=10, ~10344=8...(9) HG LEU 116 + H SER 138 OK 21 89 - 24 - ~7763=8, 2.1/9701=7...(5) HG2 LYS 24 + H SER 138 OK 13 100 - 13 - 10901/9712=2, 3.0/9697=1 HG12 ILE 91 - H SER 138 poor 7 68 - 10 - 3.8/7775=5 Peak 9701 from nnoeabs.peaks (0.98, 8.14, 115.13 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.59: HG12 ILE 136 + H SER 138 OK 53 68 - 78 - 4.5/7774=21, ~4618=16...(13) QD1 LEU 116 + H SER 138 OK 13 72 - 18 - 7763/3.2=4, 2.1/9700=3...(5) QD1 LEU 29 - H SER 138 poor 10 62 - 16 - 2.1/9702=10, ~9694=1 HB2 LEU 39 - H SER 138 lone 6 99 - 6 - 7763/3.2=2 Peak 9702 from nnoeabs.peaks (0.90, 8.14, 115.13 ppm; 3.95 A): 0 out of 5 assignments used, low quality = 0.20: QG2 VAL 80 - H SER 138 OK 20 85 - 23 - 4.4/9714=4, ~10469=3...(7) QD2 LEU 29 - H SER 138 poor 10 81 - 12 - 2.1/9701=4, 4.8/9714=2 QG1 VAL 53 - H SER 138 lone 6 100 - 6 - 9610/10477=1, 9834/9714=1 QG1 VAL 63 - H SER 138 lone 6 100 - 6 - HB2 LEU 64 - H SER 138 lone 1 62 - 2 - Peak 9712 from nnoeabs.peaks (3.02, 8.14, 115.13 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.47: HD3 ARG 35 + H SER 138 OK 22 100 - 22 - 5.4/9714=8, 3.8/11624=8 HE2 LYS 36 + H SER 138 OK 18 100 - 18 - 3.0/9698=4, 3.9/9700=4...(6) HE3 LYS 36 + H SER 138 OK 18 100 - 18 - 3.0/9698=4, 3.9/9700=4...(6) Peak 9714 from nnoeabs.peaks (7.32, 8.14, 115.13 ppm; 3.67 A): 0 out of 4 assignments used, low quality = 0.32: H ARG 35 - H SER 138 OK 24 94 - 25 - 11625=8, 3.6/11624=6...(4) QD TYR 115 - H SER 138 OK 11 77 - 14 - 2.5/7778=4, ~9716=2, ~9716=1 H GLU 81 - H SER 138 poor 9 77 - 12 - 4.4/9702=8 H ASP 30 - H SER 138 lone 6 85 - 7 - 4.8/9702=4 Peak 9725 from nnoeabs.peaks (1.91, 7.93, 119.91 ppm; 4.35 A): 4 out of 15 assignments used, quality = 0.95: HB ILE 136 + H ASN 139 OK 74 100 - 74 - 3.0/4599=33, 4.6/7788=21...(14) HB2 ARG 140 + H ASN 139 OK 58 77 - 75 - 4.0/7799=27, ~7825=11...(18) HB2 GLN 62 + H ASN 139 OK 39 81 - 48 - 4.0/11398=23, 3.0/7794=6...(12) HG13 ILE 83 + H ASN 139 OK 29 100 - 30 - ~10363=11, ~10015=5...(7) HB2 PRO 118 - H ASN 139 OK 14 96 - 15 - 4713/3.1=4, ~7823=3...(4) HB3 ARG 89 - H ASN 139 OK 13 62 - 20 - ~7824=6, ~10362=4...(6) HB ILE 101 - H ASN 139 OK 12 68 - 18 - 2.1/9727=5, 3.2/9727=5...(6) HB3 LEU 69 - H ASN 139 OK 11 85 - 13 - ~9884=2, 2021/4.7=1...(5) HB3 LEU 132 - H ASN 139 lone 9 89 - 10 - 4486/11398=2...(3) QE MET 68 - H ASN 139 lone 7 92 - 8 - 8420/3.6=2 HG3 PRO 12 - H ASN 139 lone 5 92 - 6 - HB2 LYS 86 - H ASN 139 lone 5 100 - 5 - 9736/5.8=2 HG2 PRO 12 - H ASN 139 lone 4 81 - 5 - HB2 MET 59 - H ASN 139 lone 4 99 - 4 - HB2 LYS 24 - H ASN 139 lone 4 62 - 7 - 11350/11398=3 Peak 9726 from nnoeabs.peaks (1.54, 7.93, 119.91 ppm; 6.80 A): 5 out of 8 assignments used, quality = 0.70: QB ALA 135 + H ASN 139 OK 37 62 - 59 - 9735/5.8=14, 9732/5.8=11...(12) HD2 LYS 76 + H ASN 139 OK 22 94 - 23 - 9735/5.8=8, 9740/4.0=7...(4) HB3 LEU 79 + H ASN 139 OK 19 77 - 24 - 3.1/9937=17, 9735/5.8=2 HG2 LYS 93 + H ASN 139 OK 13 81 - 16 - 9735/5.8=3, ~10362=3...(6) HG3 LYS 76 + H ASN 139 OK 13 81 - 16 - 9735/5.8=7, 9732/5.8=5 HG2 ARG 55 - H ASN 139 lone 7 96 - 8 - 9740/4.0=3, 9735/5.8=2 HG3 ARG 55 - H ASN 139 lone 6 92 - 7 - 9740/4.0=2, 9735/5.8=1 HB2 LEU 29 - H ASN 139 lone 4 68 - 6 - 9735/5.8=1 Peak 9727 from nnoeabs.peaks (0.89, 7.93, 119.91 ppm; 4.19 A): 4 out of 5 assignments used, quality = 0.85: QG2 ILE 136 + H ASN 139 OK 70 94 - 74 - 3.2/4599=30, 4.3/7788=21...(14) QG2 VAL 80 + H ASN 139 OK 24 99 - 24 - 9702/4.3=5, 9738/3.1=5...(7) QD1 ILE 101 + H ASN 139 OK 21 99 - 21 - 9738/3.1=4, 4594/4599=3...(8) QG2 ILE 101 + H ASN 139 OK 18 94 - 20 - 9738/3.1=4, 4594/4599=3...(9) QD1 LEU 97 - H ASN 139 lone 8 89 - 9 - 9738/3.1=2, 4594/4599=1 Peak 9730 from nnoeabs.peaks (1.87, 6.95, 114.43 ppm; 4.31 A): 0 out of 8 assignments used, low quality = 0.23: HB2 LYS 36 - HD21 ASN 139 OK 14 100 - 14 - 3.0/11207=9, 3.6/9731=4 HB2 ARG 144 - HD21 ASN 139 OK 10 100 - 10 - 1.8/9731=5, ~9734=2 HB3 LYS 76 - HD21 ASN 139 poor 9 62 - 15 - 3.0/9732=5, 3.5/9732=5, ~9735=4 HB3 LYS 85 - HD21 ASN 139 lone 4 81 - 5 - 3.0/9732=2 HB3 LYS 48 - HD21 ASN 139 lone 3 100 - 3 - 662/11207=1 HB2 LYS 48 - HD21 ASN 139 lone 3 99 - 3 - HB3 ARG 141 - HD21 ASN 139 lone 2 62 - 4 - HG LEU 69 - HD21 ASN 139 lone 2 72 - 3 - Peak 9731 from nnoeabs.peaks (1.73, 6.95, 114.43 ppm; 4.37 A): 7 out of 9 assignments used, quality = 0.79: HB3 GLU 81 + HD21 ASN 139 OK 33 100 - 33 - 3.0/9744=11, 9734/1.7=6...(6) HD2 LYS 36 + HD21 ASN 139 OK 21 96 - 22 - 3.6/9730=8, 5.3/11207=6...(6) HB2 GLU 81 + HD21 ASN 139 OK 20 72 - 28 - 3.0/9744=11, 9734/1.7=6...(5) HB3 ARG 144 + HD21 ASN 139 OK 20 99 - 20 - 1.8/9730=8, 9734/1.7=3...(5) HG3 ARG 140 + HD21 ASN 139 OK 18 68 - 27 - 9734/1.7=6, 10493/3.5=6...(6) HG3 ARG 89 + HD21 ASN 139 OK 15 100 - 15 - 10362/4.5=5, 10493/3.5=3...(5) HG LEU 66 + HD21 ASN 139 OK 10 100 - 10 - 9734/1.7=2, 9741/3.5=2...(4) HB2 ARG 49 - HD21 ASN 139 poor 9 62 - 14 - 3.7/9743=3, 3.0/9745=2...(6) HB3 ARG 109 - HD21 ASN 139 lone 6 99 - 6 - 10362/4.5=1, 9734/1.7=1 Peak 9732 from nnoeabs.peaks (1.53, 6.95, 114.43 ppm; 4.51 A): 3 out of 8 assignments used, quality = 0.62: QB ALA 135 + HD21 ASN 139 OK 42 98 - 42 - 2.1/10446=14...(9) HD2 LYS 76 + HD21 ASN 139 OK 20 100 - 21 - 9735/1.7=6, 3.5/9730=6...(6) HG3 LYS 76 + HD21 ASN 139 OK 19 100 - 19 - 3.0/9730=6, 9735/1.7=5...(4) HG3 LYS 85 - HD21 ASN 139 lone 7 92 - 7 - 3.0/9730=3, 10017/8835=2 HG2 LYS 93 - HD21 ASN 139 lone 6 100 - 6 - 9735/1.7=2 HG3 PRO 57 - HD21 ASN 139 lone 4 85 - 5 - 8268/8261=2 HB2 LYS 123 - HD21 ASN 139 lone 4 77 - 5 - 3.0/9744=2 HB2 LEU 29 - HD21 ASN 139 lone 3 99 - 3 - Peak 9733 from nnoeabs.peaks (0.87, 6.95, 114.43 ppm; 3.46 A): 3 out of 7 assignments used, quality = 0.65: QG2 ILE 83 + HD21 ASN 139 OK 41 72 - 57 - 9729/3.5=10...(13) QG2 ILE 56 + HD21 ASN 139 OK 23 100 - 23 - 3.1/8261=13, 9737/1.7=4...(5) QG2 ILE 136 + HD21 ASN 139 OK 22 68 - 33 - 9737/1.7=10, ~9750=8...(8) QD1 LEU 64 - HD21 ASN 139 lone 7 89 - 7 - 1481/8261=2, 10363/4.5=2 HB3 LEU 42 - HD21 ASN 139 lone 5 100 - 5 - 10363/4.5=1, 9737/1.7=1 QG2 ILE 101 - HD21 ASN 139 lone 4 68 - 6 - 9737/1.7=2, ~9737=1 QD1 LEU 97 - HD21 ASN 139 lone 4 77 - 5 - 9737/1.7=1 Peak 9734 from nnoeabs.peaks (1.73, 7.89, 114.43 ppm; 4.77 A): 8 out of 9 assignments used, quality = 0.92: HB3 GLU 81 + HD22 ASN 139 OK 44 99 - 44 - 9731/1.7=9, ~9744=9...(9) HG3 ARG 140 + HD22 ASN 139 OK 44 89 - 49 - 4.9/7822=21, 3.8/9748=10...(8) HB2 GLU 81 + HD22 ASN 139 OK 38 92 - 41 - ~9744=9, 4.0/6882=8...(8) HB3 ARG 144 + HD22 ASN 139 OK 22 100 - 22 - ~9730=7, 9731/1.7=6...(5) HG3 ARG 89 + HD22 ASN 139 OK 20 96 - 21 - 10362/4.5=5, 9731/1.7=4...(7) HD2 LYS 36 + HD22 ASN 139 OK 15 100 - 15 - 9731/1.7=6, 10493/3.5=2...(5) HG LEU 66 + HD22 ASN 139 OK 14 94 - 15 - 9731/1.7=3, 9741/3.5=2...(5) HB2 ARG 49 + HD22 ASN 139 OK 13 85 - 15 - 3.0/9748=3, 9731/1.7=2...(6) HB3 ARG 109 - HD22 ASN 139 lone 7 89 - 8 - 9731/1.7=2, 10362/4.5=1 Peak 9735 from nnoeabs.peaks (1.54, 7.89, 114.43 ppm; 4.52 A): 3 out of 8 assignments used, quality = 0.55: QB ALA 135 + HD22 ASN 139 OK 33 62 - 53 - ~10446=20, 9732/1.7=11...(12) HD2 LYS 76 + HD22 ASN 139 OK 19 94 - 21 - 9732/1.7=5, ~9732=4...(6) HG3 LYS 76 + HD22 ASN 139 OK 17 81 - 21 - 9732/1.7=5, ~9730=5...(5) HG2 LYS 93 - HD22 ASN 139 lone 7 81 - 8 - 9732/1.7=2, 9726/5.8=1 HB3 LEU 79 - HD22 ASN 139 lone 4 77 - 6 - 9726/5.8=2, 10022/2538=1 HG2 ARG 55 - HD22 ASN 139 lone 4 96 - 4 - 9740/3.5=1, 10611/6922=1 HG3 ARG 55 - HD22 ASN 139 lone 3 92 - 4 - 9740/3.5=1, 10611/6922=1 HB2 LEU 29 - HD22 ASN 139 lone 3 68 - 4 - Peak 9736 from nnoeabs.peaks (1.91, 7.89, 114.43 ppm; 5.98 A): 4 out of 15 assignments used, quality = 0.99: HG13 ILE 83 + HD22 ASN 139 OK 85 100 - 85 - ~8835=26, 3.2/2514=20...(17) HB ILE 136 + HD22 ASN 139 OK 70 100 - 70 - 3.0/9750=31, 2.1/9737=23...(11) HB2 LYS 86 + HD22 ASN 139 OK 57 100 - 57 - 3.5/11562=20, ~11565=16...(7) HB2 ARG 140 + HD22 ASN 139 OK 52 77 - 67 - 4.0/7822=35, 3.0/9748=15...(9) QE MET 68 - HD22 ASN 139 OK 17 92 - 19 - 8451/2497=4, 8421/9749=2 HB2 PRO 118 - HD22 ASN 139 OK 15 96 - 16 - 4713/7822=2, 9725/5.8=2...(6) HB3 LEU 132 - HD22 ASN 139 OK 15 89 - 17 - 9594/9737=2, 4593/9750=1...(6) HB2 GLN 62 - HD22 ASN 139 OK 14 81 - 17 - 1757/4.5=5, 9725/5.8=4...(4) HG3 PRO 12 - HD22 ASN 139 OK 13 92 - 14 - 2727/11562=1, 9742/3.5=1...(5) HB2 MET 59 - HD22 ASN 139 OK 12 99 - 12 - 8299/2514=3, 1604/2506=2 HB3 LEU 69 - HD22 ASN 139 OK 11 85 - 13 - ~9730=2, 2727/11562=1...(5) HB ILE 101 - HD22 ASN 139 OK 11 68 - 16 - 2.1/9737=4, 3.2/9737=4...(4) HB3 ARG 89 - HD22 ASN 139 OK 11 62 - 17 - 2.8/9734=4, ~9731=4...(4) HG2 PRO 12 - HD22 ASN 139 poor 10 81 - 12 - HB2 LYS 24 - HD22 ASN 139 lone 4 62 - 7 - 11371/4.5=1 Peak 9737 from nnoeabs.peaks (0.88, 7.89, 114.43 ppm; 3.85 A): 3 out of 7 assignments used, quality = 0.61: QG2 ILE 136 + HD22 ASN 139 OK 46 99 - 47 - 10336/3.5=15...(9) QG2 ILE 56 + HD22 ASN 139 OK 18 72 - 25 - ~8261=15, 9733/1.7=7, 9729/3.5=1 QG2 VAL 80 + HD22 ASN 139 OK 11 62 - 17 - 3.2/2411=6, 4.4/6882=5...(4) QG2 ILE 101 - HD22 ASN 139 lone 8 99 - 8 - 9733/1.7=1, 9727/5.8=1 QD1 ILE 101 - HD22 ASN 139 lone 8 94 - 8 - 9727/5.8=1 QD1 LEU 97 - HD22 ASN 139 lone 7 100 - 7 - 3228/2514=1, 9733/1.7=1 HB3 LEU 42 - HD22 ASN 139 lone 5 85 - 6 - 10363/4.5=2, 9733/1.7=1 Peak 9738 from nnoeabs.peaks (0.89, 7.99, 120.42 ppm; 4.32 A): 6 out of 7 assignments used, quality = 0.89: QG2 ILE 136 + H ARG 140 OK 59 77 - 77 - 9727/3.1=15, ~4599=14...(23) QG2 VAL 80 + H ARG 140 OK 30 100 - 30 - 9958/3.2=6, 9727/3.1=5...(12) QD1 ILE 101 + H ARG 140 OK 29 89 - 32 - 11574/4.9=5, 11575/4.9=5...(10) QG2 ILE 101 + H ARG 140 OK 25 77 - 32 - 11575/4.9=5, 11574/4.9=5...(11) QG1 VAL 63 + H ARG 140 OK 17 77 - 22 - ~9834=18 QD1 LEU 97 + H ARG 140 OK 11 68 - 16 - ~7844=5, ~7843=2...(6) QG1 VAL 53 - H ARG 140 lone 4 81 - 4 - 3.2/10626=1 Peak 9743 from nnoeabs.peaks (3.08, 6.95, 114.43 ppm; 4.73 A): 2 out of 7 assignments used, quality = 0.49: HE2 LYS 86 + HD21 ASN 139 OK 30 72 - 41 - ~11562=11, 3.0/11565=9...(7) HE3 LYS 86 + HD21 ASN 139 OK 28 68 - 41 - ~11562=11, 3.0/11565=9...(7) HD3 ARG 49 - HD21 ASN 139 lone 8 100 - 8 - 3.7/9731=2, 5.2/9745=1 HA2 GLY 78 - HD21 ASN 139 lone 5 100 - 5 - 10939/11387=1 HA TYR 119 - HD21 ASN 139 lone 3 98 - 3 - HB3 ASP 30 - HD21 ASN 139 lone 1 85 - 2 - HB3 TRP 88 - HD21 ASN 139 lone 1 85 - 1 - Peak 9744 from nnoeabs.peaks (4.01, 6.95, 114.43 ppm; 4.44 A): 0 out of 10 assignments used, low quality = 0.35: HA GLU 81 - HD21 ASN 139 OK 27 92 - 29 - 3.0/9731=7, ~6882=6...(6) HA GLU 37 - HD21 ASN 139 OK 12 94 - 13 - 4.9/11207=7, 757/3.5=2 HA VAL 63 - HD21 ASN 139 poor 9 77 - 12 - 10125/4.5=5, 8364/9746=1 HB THR 107 - HD21 ASN 139 lone 8 100 - 8 - 4.1/10492=3, 877/3.5=2 HA LYS 114 - HD21 ASN 139 lone 5 62 - 9 - 3739/3.5=3, 6.3/7803=2 HB3 SER 100 - HD21 ASN 139 lone 5 100 - 5 - 10125/4.5=3 HA LYS 123 - HD21 ASN 139 lone 4 98 - 4 - 3.0/9732=1 HB2 SER 103 - HD21 ASN 139 lone 3 100 - 3 - HA GLU 122 - HD21 ASN 139 lone 1 62 - 2 - HA MET 113 - HD21 ASN 139 lone 1 62 - 2 - Peak 9745 from nnoeabs.peaks (4.26, 6.95, 114.43 ppm; 4.02 A): 3 out of 8 assignments used, quality = 0.85: HA SER 138 + HD21 ASN 139 OK 60 100 - 60 - 3.6/10491=18...(10) HA ALA 135 + HD21 ASN 139 OK 44 100 - 44 - 2.1/9732=12, 10446=10...(11) HA ARG 140 + HD21 ASN 139 OK 33 72 - 46 - ~7822=16, 4.9/7802=13...(8) HA ARG 49 - HD21 ASN 139 poor 10 89 - 11 - 9748/1.7=2, 3.0/9731=2...(5) HA LEU 95 - HD21 ASN 139 lone 8 92 - 8 - 9748/1.7=2, 10014/8835=1 HB THR 99 - HD21 ASN 139 lone 4 100 - 4 - HA2 GLY 50 - HD21 ASN 139 lone 2 100 - 2 - HA GLU 142 - HD21 ASN 139 lone 1 62 - 2 - 7786/5.8=1 Peak 9746 from nnoeabs.peaks (4.45, 6.95, 114.43 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.55: HA ASP 137 + HD21 ASN 139 OK 34 85 - 40 - 9747/1.7=16...(6) HA ASP 41 + HD21 ASN 139 OK 32 94 - 33 - 9747/1.7=14, 3.0/7804=8...(5) HA3 GLY 31 - HD21 ASN 139 lone 3 62 - 5 - 9747/1.7=1, 4.9/7802=1 Peak 9747 from nnoeabs.peaks (4.45, 7.89, 114.43 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.67: HA ASP 137 + HD22 ASN 139 OK 44 85 - 52 - 9746/1.7=22, 5.0/9750=13...(11) HA ASP 41 + HD22 ASN 139 OK 41 94 - 43 - 9746/1.7=20, 3.0/7810=9...(8) HA3 GLY 31 - HD22 ASN 139 lone 4 62 - 6 - 9746/1.7=2, 4.9/7808=1 Peak 9748 from nnoeabs.peaks (4.27, 7.89, 114.43 ppm; 4.17 A): 5 out of 9 assignments used, quality = 0.89: HA ARG 140 + HD22 ASN 139 OK 57 100 - 57 - 2.9/7822=25...(9) HA SER 138 + HD22 ASN 139 OK 47 89 - 53 - 4.8/7808=14, ~10492=13...(9) HA ALA 135 + HD22 ASN 139 OK 37 77 - 48 - 10446/1.7=14...(8) HA LEU 95 + HD22 ASN 139 OK 14 100 - 14 - 9061/2497=4, 3123/2506=2...(6) HA ARG 49 + HD22 ASN 139 OK 13 100 - 13 - 9745/1.7=2, 10354/4.5=2...(5) HA PRO 118 - HD22 ASN 139 lone 5 94 - 5 - 10329/9737=2, 7823/7822=2 HA3 GLY 78 - HD22 ASN 139 lone 5 96 - 5 - ~9743=2 HB THR 99 - HD22 ASN 139 lone 5 92 - 5 - HA2 GLY 50 - HD22 ASN 139 lone 2 81 - 2 - Peak 9749 from nnoeabs.peaks (3.98, 7.89, 114.43 ppm; 4.45 A): 0 out of 3 assignments used, low quality = 0.00: HB3 SER 127 - HD22 ASN 139 lone 5 96 - 6 - 10355/4.5=1, 10331/9737=1 HA GLU 75 - HD22 ASN 139 lone 4 99 - 4 - HA3 GLY 143 - HD22 ASN 139 lone 2 89 - 2 - Peak 9750 from nnoeabs.peaks (3.69, 7.89, 114.43 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.63: HA ILE 136 + HD22 ASN 139 OK 51 72 - 70 - 3.2/9737=17, 4600/3.5=17...(12) HA ILE 91 + HD22 ASN 139 OK 24 94 - 25 - 4695/3.5=6, 4687/3.5=5...(9) Peak 9751 from nnoeabs.peaks (3.99, 7.99, 120.42 ppm; 4.70 A): 2 out of 8 assignments used, quality = 0.96: HB2 SER 138 + H ARG 140 OK 80 98 - 82 - 4.7/7799=27, 4.0/7815=20...(17) HB3 SER 138 + H ARG 140 OK 80 98 - 82 - 4.7/7799=27, 4.0/7815=20...(17) HA LYS 114 - H ARG 140 OK 28 96 - 29 - 10355/3.6=7, 3739/4.6=6...(8) HA LEU 69 - H ARG 140 OK 18 98 - 18 - 4.1/9884=4, 7792/3.1=1...(5) HB3 SER 127 - H ARG 140 OK 16 98 - 16 - 9749/7822=4, 10353/3.2=3...(4) HA MET 113 - H ARG 140 lone 9 96 - 10 - 10355/3.6=2, 10256/6.0=2 HA GLU 75 - H ARG 140 poor 7 62 - 12 - 2.9/6788=4, 9749/7822=3 HA GLU 122 - H ARG 140 lone 6 96 - 6 - Peak 9752 from nnoeabs.peaks (1.85, 8.27, 109.14 ppm; 5.60 A): 0 out of 6 assignments used, low quality = 0.12: HB3 LEU 126 - H GLY 143 OK 12 94 - 13 - 11076/3.6=10, 9755/3.0=1 HB2 LYS 93 - H GLY 143 lone 3 98 - 3 - HG LEU 69 - H GLY 143 lone 2 77 - 3 - HB3 GLU 28 - H GLY 143 lone 2 89 - 2 - HB3 LYS 76 - H GLY 143 lone 1 85 - 2 - HB3 LYS 85 - H GLY 143 lone 1 68 - 2 - Peak 9753 from nnoeabs.peaks (1.61, 8.27, 109.14 ppm; 4.96 A): 6 out of 9 assignments used, quality = 0.91: HG3 ARG 144 + H GLY 143 OK 50 98 - 51 - 4.9/7872=24, ~11637=9...(8) HG2 ARG 144 + H GLY 143 OK 47 89 - 53 - 4.9/7872=24, 11636/3.0=9...(9) HG2 ARG 141 + H GLY 143 OK 39 98 - 40 - 4803/4.6=10, 3.8/7865=9...(9) HG3 ARG 49 + H GLY 143 OK 20 100 - 20 - ~9824=5, 9825/3.0=5...(5) HG3 LYS 48 + H GLY 143 OK 18 85 - 22 - 11636/3.0=4, 1184/3.0=3...(9) HB2 LEU 97 + H GLY 143 OK 14 96 - 15 - 7853/4.6=4, 9109/3.6=3...(5) HG LEU 108 - H GLY 143 lone 7 99 - 7 - ~9258=2, 7853/4.6=1, 11636/3.0=1 HB2 LEU 87 - H GLY 143 lone 5 99 - 5 - HB3 LEU 64 - H GLY 143 lone 5 98 - 5 - Peak 9785 from nnoeabs.peaks (1.77, 7.87, 118.84 ppm; 4.09 A): 2 out of 8 assignments used, quality = 0.85: HB3 ARG 35 + H PHE 38 OK 64 100 - 64 - 3.0/6234=22, 4.3/6235=21...(12) HG LEU 39 + H PHE 38 OK 58 100 - 58 - 4.7/6256=22...(10) HG LEU 72 - H PHE 38 lone 7 68 - 10 - 6266/4.3=3, 6280/6274=2 HB3 MET 59 - H PHE 38 lone 6 94 - 6 - 3.0/6242=1, 3.0/6242=1 HB2 PRO 12 - H PHE 38 lone 5 81 - 6 - 78/779=2, 11493/786=1 HB3 ARG 55 - H PHE 38 lone 3 99 - 3 - 6266/4.3=2 HG LEU 95 - H PHE 38 lone 3 77 - 3 - HG2 PRO 57 - H PHE 38 lone 2 72 - 3 - Peak 9786 from nnoeabs.peaks (1.39, 7.87, 118.84 ppm; 5.39 A): 4 out of 7 assignments used, quality = 0.84: HB2 ARG 35 + H PHE 38 OK 71 85 - 84 - 4.3/6235=33...(14) HG2 ARG 49 + H PHE 38 OK 27 92 - 29 - 8195/6236=8, 3.0/6234=4...(9) HD2 LYS 114 + H PHE 38 OK 13 72 - 18 - 583/11164=2, 6196/6235=2...(7) HG LEU 116 + H PHE 38 OK 12 92 - 13 - 583/11164=2, 10700/786=1...(6) HB2 ARG 109 - H PHE 38 lone 5 68 - 8 - 10233/8107=2, 10233/8107=1 HB2 LEU 69 - H PHE 38 lone 4 81 - 5 - 8469/9960=1 HG2 LYS 86 - H PHE 38 lone 2 99 - 2 - Peak 9788 from nnoeabs.peaks (0.66, 7.87, 118.84 ppm; 6.65 A): 2 out of 3 assignments used, quality = 0.95: QD2 LEU 39 + H PHE 38 OK 84 92 - 91 - 4.8/6256=45, 8131/4.3=33...(13) QD2 LEU 66 + H PHE 38 OK 72 89 - 81 - ~8521=39, 8394/4.3=31...(10) QD1 ILE 83 - H PHE 38 OK 16 62 - 26 - 6268/4.3=6, 10028/3.2=5...(8) Peak 9793 from nnoeabs.peaks (2.38, 7.82, 115.84 ppm; 6.14 A): 6 out of 8 assignments used, quality = 0.91: HG2 MET 46 + H SER 44 OK 51 100 - 51 - 5.1/6355=22...(7) HB ILE 91 + H SER 44 OK 51 100 - 51 - 9817/2.9=15, 9813/3.9=9...(10) HG2 GLN 25 + H SER 44 OK 34 100 - 34 - ~9817=9, 8361/9832=4...(10) HG3 MET 59 + H SER 44 OK 19 100 - 19 - 9817/2.9=4, ~9817=4...(6) HG3 GLN 25 + H SER 44 OK 19 62 - 30 - 9817/2.9=6, ~997=5...(12) HG2 MET 59 + H SER 44 OK 18 100 - 18 - 9817/2.9=4, ~9817=4...(6) HG3 GLU 37 - H SER 44 lone 5 100 - 5 - HG3 MET 11 - H SER 44 lone 4 81 - 5 - Peak 9795 from nnoeabs.peaks (3.20, 8.54, 117.25 ppm; 3.88 A): 3 out of 8 assignments used, quality = 0.75: * HG3 MET 46 + H MET 46 OK 64 77 - 83 - 5.1=44, 3.3/1082=23...(19) HA VAL 73 + H MET 46 OK 18 72 - 25 - ~8562=7, 3.0/6391=3...(11) HD3 ARG 140 + H MET 46 OK 16 72 - 23 - ~8175=3, ~6403=3...(12) HB3 TYR 117 - H MET 46 poor 9 62 - 15 - 1.8/6374=5, 3916/4.4=2...(7) HD2 ARG 141 - H MET 46 lone 4 100 - 4 - HD3 ARG 141 - H MET 46 lone 4 100 - 4 - HD3 ARG 124 - H MET 46 lone 2 68 - 3 - HD3 ARG 144 - H MET 46 lone 2 68 - 2 - Peak 9805 from nnoeabs.peaks (8.53, 7.66, 106.82 ppm; 4.81 A): 0 out of 3 assignments used, low quality = 0.39: H GLN 111 - H GLY 50 OK 27 100 - 27 - 10662/4.7=7, 10653/4.4=6...(7) H MET 46 - H GLY 50 OK 17 89 - 19 - 10663/4.7=7, 10653/4.4=7 H CYS 121 - H GLY 50 lone 5 68 - 8 - 2.9/10312=2, 10653/4.4=2...(4) Peak 9811 from nnoeabs.peaks (2.40, 8.69, 121.53 ppm; 5.60 A): 4 out of 4 assignments used, quality = 0.86: HG3 GLN 25 + H VAL 53 OK 45 100 - 45 - 8245/4.1=13, 9843/3.0=8...(8) HB3 PRO 118 + H VAL 53 OK 41 62 - 66 - 8245/4.1=13...(19) HG2 MET 46 + H VAL 53 OK 34 62 - 54 - 3.3/10687=18, ~10694=13...(7) QE MET 46 + H VAL 53 OK 34 68 - 50 - 8245/4.1=15...(7) Peak 9819 from nnoeabs.peaks (1.30, 7.73, 119.01 ppm; 4.68 A): 4 out of 5 assignments used, quality = 0.79: HG13 ILE 58 + H GLN 62 OK 48 72 - 67 - 3.2/8337=20, ~10579=19...(10) HG3 LYS 24 + H GLN 62 OK 43 100 - 43 - 3.0/11350=18, ~11351=14...(8) HG LEU 87 + H GLN 62 OK 22 100 - 22 - ~2810=3, ~2802=3...(11) HG LEU 79 + H GLN 62 OK 11 98 - 11 - 10979/4502=2, 9828/4.9=1...(4) HG12 ILE 83 - H GLN 62 lone 8 100 - 8 - 11152/8337=1, 1.8/6586=1 Peak 9837 from nnoeabs.peaks (0.57, 8.29, 127.59 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.94: QG2 ILE 58 + H LEU 64 OK 73 89 - 82 - 8349/4.4=25, 3.1/9812=24...(11) QD1 ILE 58 + H LEU 64 OK 67 81 - 83 - 8350/4.4=29, 8351/4.3=25...(9) QG1 VAL 71 + H LEU 64 OK 35 72 - 48 - 2.1/2086=10, 2.1/2092=7...(12) QD1 LEU 66 - H LEU 64 OK 30 94 - 32 - 9857/5.2=14, 8350/4.4=3...(8) Peak 9853 from nnoeabs.peaks (0.78, 9.19, 124.99 ppm; 3.83 A): 4 out of 5 assignments used, quality = 0.71: QD1 LEU 79 + H ASP 65 OK 34 100 - 34 - 9931=11, 8384/4.0=5...(7) QD2 LEU 95 + H ASP 65 OK 30 99 - 31 - 9931=9, 8384/4.0=6...(8) QG2 THR 74 + H ASP 65 OK 22 100 - 22 - 9931=5, 8384/4.0=3...(7) QD2 LEU 126 + H ASP 65 OK 21 89 - 23 - 2.1/6626=8, 11441/4.4=4...(8) QG1 VAL 80 - H ASP 65 poor 6 62 - 10 - 8382/4.0=3, 8384/4.0=3...(4) Peak 9867 from nnoeabs.peaks (6.96, 7.29, 113.07 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.63: QD PHE 38 + H PHE 67 OK 63 92 - 69 - 9868/2.8=25, 2.2/8397=25...(11) HD21 ASN 139 - H PHE 67 lone 5 94 - 5 - 9868/2.8=2 Peak 9902 from nnoeabs.peaks (1.90, 8.30, 122.72 ppm; 4.73 A): 4 out of 10 assignments used, quality = 0.96: QE MET 68 + H VAL 71 OK 76 85 - 88 - 8426/3.9=28, 8455=28...(18) HB3 LEU 69 + H VAL 71 OK 61 92 - 67 - 4.0/6720=23, 4.6/6715=22...(11) HB ILE 136 + H VAL 71 OK 35 62 - 56 - 2.9/8494=13, 2.5/8493=9...(18) HB2 LYS 24 + H VAL 71 OK 32 100 - 33 - 3.0/11348=10...(7) HB3 ARG 89 - H VAL 71 OK 13 100 - 13 - 8520/3.9=3, 2870/3.8=1...(4) HB3 ARG 140 - H VAL 71 OK 13 98 - 13 - 8520/3.9=3, 4.0/6733=2 HB ILE 101 - H VAL 71 OK 12 99 - 12 - 9168/1957=2, 8520/3.9=2...(4) HB3 LYS 93 - H VAL 71 OK 11 96 - 11 - 8520/3.9=2, 10229/8494=1 HB3 GLN 111 - H VAL 71 lone 8 100 - 8 - 11014/9845=1, ~8533=1 HB3 ARG 141 - H VAL 71 lone 4 89 - 5 - Peak 9929 from nnoeabs.peaks (7.16, 8.82, 121.54 ppm; 5.07 A): 0 out of 1 assignment used, low quality = 0.24: QE TYR 115 - H LEU 79 OK 24 100 - 24 - 8716/4.9=8, 11416/4.2=8...(4) Peak 9983 from nnoeabs.peaks (6.80, 7.63, 118.66 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.58: H LYS 76 + H VAL 82 OK 51 72 - 70 - 8823/3.2=22, ~8653=20...(12) HE21 GLN 133 + H VAL 82 OK 14 99 - 14 - 4.5/6891=3, 4.5/6891=3...(6) HD21 ASN 96 - H VAL 82 lone 9 100 - 9 - 8823/3.2=3, 8554/9922=2 Peak 9995 from nnoeabs.peaks (1.54, 7.90, 117.55 ppm; 4.44 A): 6 out of 6 assignments used, quality = 0.89: HB3 LEU 79 + H ILE 83 OK 51 85 - 60 - 3.0/6900=12, ~2363=9...(17) HD2 LYS 76 + H ILE 83 OK 37 89 - 41 - 8664/4.4=13, 8856/3.2=6...(11) HG2 LYS 93 + H ILE 83 OK 27 72 - 37 - ~3056=4, 11717/4.4=4...(14) HG3 LYS 76 + H ILE 83 OK 26 72 - 35 - 11717/4.4=9, ~9882=6...(9) HG2 ARG 55 + H ILE 83 OK 21 99 - 21 - 10611/3.2=9, ~10611=7, ~8856=3 HG3 ARG 55 + H ILE 83 OK 20 96 - 21 - 10611/3.2=9, ~10611=7, ~8856=3 Peak 10025 from nnoeabs.peaks (9.54, 7.90, 117.55 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.94: HE1 TRP 88 + H ILE 83 OK 94 98 - 96 - 8914/2.9=43, 8836/3.9=36...(14) Peak 10030 from nnoeabs.peaks (8.56, 7.43, 110.66 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.93: H LYS 85 + HD22 ASN 84 OK 88 100 - 88 - 6954/3.5=33, 3.1/6933=33...(8) H ASP 40 + HD22 ASN 84 OK 27 85 - 32 - 2560/3.5=8, 2552/4.5=7...(6) H LEU 72 + HD22 ASN 84 OK 17 98 - 17 - 2560/3.5=4, 2552/4.5=4...(5) Peak 10036 from nnoeabs.peaks (0.72, 8.56, 116.66 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.77: QD2 LEU 87 + H LYS 85 OK 47 68 - 70 - 8906=11, 8860/3.0=11...(19) QD1 LEU 87 + H LYS 85 OK 45 62 - 73 - 2.1/8906=18, 4.4/8865=12...(21) QD2 LEU 108 + H LYS 85 OK 20 94 - 22 - 8810/10037=7...(5) Peak 10037 from nnoeabs.peaks (-1.13, 8.56, 116.66 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 82 + H LYS 85 OK 90 100 - 90 - 8871/4.7=30, 2.4/6949=26...(17) Peak 10048 from nnoeabs.peaks (3.68, 7.55, 117.50 ppm; 4.39 A): 0 out of 1 assignment used, low quality = 0.43: HA ILE 83 - H LYS 86 OK 43 72 - 59 - 4.8/8839=20, 3.6/8866=20...(10) Peak 10049 from nnoeabs.peaks (4.43, 7.55, 117.50 ppm; 5.18 A): 3 out of 3 assignments used, quality = 0.91: HA ASN 84 + H LYS 86 OK 84 94 - 89 - 3.6/6967=41, 8839=41...(11) HA ILE 58 + H LYS 86 OK 26 96 - 27 - 1547/4.6=6, 6953/4.7=6...(9) HA ASP 40 + H LYS 86 OK 22 100 - 22 - 2.9/6969=5, 869/4.7=5...(7) Peak 10057 from nnoeabs.peaks (7.21, 7.54, 118.45 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.59: HE3 TRP 88 + H TRP 88 OK 44 68 - 66 - 6.2=30, 2822/3.0=21...(8) QD TYR 27 + H TRP 88 OK 16 72 - 22 - 2822/3.0=4, 2.6/7017=4...(6) H GLU 37 + H TRP 88 OK 13 100 - 13 - 8998/2962=3...(5) QD PHE 45 - H TRP 88 lone 7 94 - 7 - 10159/11675=2, 8998/2962=2 HE3 TRP 17 - H TRP 88 lone 4 100 - 4 - 4770/4.0=1 Peak 10064 from nnoeabs.peaks (6.44, 9.54, 128.00 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.76: HH2 TRP 88 + HE1 TRP 88 OK 76 77 - 99 - 5.0=99, 9985/8830=11...(8) Peak 10066 from nnoeabs.peaks (1.39, 9.54, 128.00 ppm; 4.15 A): 4 out of 8 assignments used, quality = 0.95: HB2 ARG 109 + HE1 TRP 88 OK 77 94 - 81 - 3.0/10531=16...(21) HG2 ARG 49 + HE1 TRP 88 OK 44 100 - 44 - 3.0/8917=18, 3.9/7025=4...(14) HB2 LEU 69 + HE1 TRP 88 OK 43 99 - 43 - ~9927=9, ~9886=7...(12) HB VAL 82 + HE1 TRP 88 OK 37 57 - 64 - 2.1/8925=35, 4.5/8912=16...(6) HG LEU 116 - HE1 TRP 88 OK 32 62 - 51 - ~9399=21, 3.0/8924=11...(10) HG LEU 132 - HE1 TRP 88 OK 14 85 - 17 - 3.0/8918=4...(6) HG2 LYS 86 - HE1 TRP 88 OK 14 100 - 14 - 10005/10024=2...(5) HB3 LEU 39 - HE1 TRP 88 OK 12 81 - 14 - 10025/10024=2...(5) Peak 10074 from nnoeabs.peaks (0.92, 7.75, 117.84 ppm; 4.38 A): 2 out of 5 assignments used, quality = 0.94: QG2 ILE 91 + H GLU 90 OK 91 99 - 92 - 4.0/7048=34, 4.3/7065=24...(23) HB2 LEU 64 + H GLU 90 OK 30 99 - 30 - 3.0/7030=7, 7056/3.5=7...(11) HB2 LEU 108 - H GLU 90 OK 25 96 - 26 - 3.2/8954=6, 7056/3.5=6...(10) QG2 VAL 63 - H GLU 90 OK 23 99 - 23 - 7056/3.5=5, 7070/7065=2...(9) QD2 LEU 29 - H GLU 90 OK 13 92 - 14 - 7056/3.5=2, 10537/2.9=1...(4) Peak 10075 from nnoeabs.peaks (1.16, 7.75, 117.84 ppm; 4.84 A): 4 out of 4 assignments used, quality = 0.96: QG2 THR 92 + H GLU 90 OK 71 94 - 76 - 3.9/7065=32, 8947/3.5=29...(14) QD1 LEU 69 + H GLU 90 OK 56 98 - 57 - 9883/3.5=32, 8947/3.5=9...(12) HG2 LYS 76 + H GLU 90 OK 46 100 - 46 - 9890/2.9=11...(13) HB2 LEU 72 + H GLU 90 OK 45 98 - 46 - 10085/3.5=10, ~9913=9...(12) Peak 10078 from nnoeabs.peaks (9.03, 7.75, 117.84 ppm; 5.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10085 from nnoeabs.peaks (1.16, 7.53, 120.51 ppm; 3.76 A): 3 out of 4 assignments used, quality = 0.96: QG2 THR 92 + H ILE 91 OK 75 92 - 82 - 9005=21, 3005/3.5=21...(19) HB2 LEU 72 + H ILE 91 OK 60 99 - 60 - 3.1/9913=14, 8969/2.9=9...(16) QD1 LEU 69 + H ILE 91 OK 58 99 - 58 - 9883=17, 9894/4.0=12...(12) HG2 LYS 76 - H ILE 91 OK 44 100 - 44 - 8658/4.5=12, 8971/4.0=11...(9) Peak 10091 from nnoeabs.peaks (8.08, 7.62, 120.75 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.84: H ASN 96 + H LYS 93 OK 84 100 - 85 - 10090/2.9=45...(11) Peak 10094 from nnoeabs.peaks (7.83, 8.67, 113.41 ppm; 4.46 A): 3 out of 7 assignments used, quality = 0.65: H GLY 94 + H THR 92 OK 50 68 - 74 - 7098/3.2=18...(17) H LEU 26 + H THR 92 OK 19 100 - 19 - 2.9/7066=4, ~7080=3...(6) H TYR 27 + H THR 92 OK 14 96 - 14 - 3.6/7066=4, 4.6/9004=2...(4) H SER 44 - H THR 92 poor 9 85 - 11 - 9793/4.7=3, 3.9/7063=2...(4) H THR 110 - H THR 92 lone 5 100 - 5 - 7302/3.6=1 H ARG 55 - H THR 92 lone 4 68 - 6 - 10618/4.3=3 H TRP 17 - H THR 92 lone 2 77 - 2 - 5.9/9004=2 Peak 10103 from nnoeabs.peaks (1.28, 7.62, 120.75 ppm; 4.88 A): 3 out of 6 assignments used, quality = 0.88: QB ALA 104 + H LYS 93 OK 74 98 - 76 - 10088/4.4=40...(10) QG2 THR 102 + H LYS 93 OK 47 92 - 52 - 2.1/7085=8, 10102/3.6=8...(15) HB2 LEU 132 + H LYS 93 OK 11 62 - 17 - 2.9/7080=4, ~7066=2...(8) HG12 ILE 58 - H LYS 93 lone 8 89 - 8 - 10104/3.2=2, 10102/3.6=2 HG2 LYS 61 - H LYS 93 lone 7 81 - 8 - 10102/3.6=2, 10099/4.4=1 HG13 ILE 58 - H LYS 93 lone 5 68 - 7 - 10104/3.2=2, ~10104=2 Peak 10104 from nnoeabs.peaks (1.28, 8.67, 113.41 ppm; 4.42 A): 2 out of 4 assignments used, quality = 0.78: QB ALA 104 + H THR 92 OK 73 100 - 73 - 10088/3.9=35...(9) QG2 THR 102 + H THR 92 OK 21 62 - 34 - 10103/3.2=7, 10102/2.9=7...(8) HG12 ILE 58 - H THR 92 lone 7 100 - 7 - 10102/2.9=2, 10103/3.2=1 HG13 ILE 58 - H THR 92 lone 6 94 - 6 - ~10102=1, 10102/2.9=1 Peak 10113 from nnoeabs.peaks (4.37, 7.54, 118.97 ppm; 4.01 A): 1 out of 6 assignments used, quality = 0.63: HA ASN 96 + H LEU 95 OK 63 92 - 68 - 3.0/7121=38, 3.6/9098=18...(10) HB THR 51 - H LEU 95 lone 7 98 - 7 - 10652/3.0=2, ~10463=1 HA ASP 65 - H LEU 95 lone 5 68 - 8 - 9886/4.9=2, 11615/10105=1 HA ARG 144 - H LEU 95 lone 2 94 - 2 - HB THR 18 - H LEU 95 lone 1 62 - 2 - HA3 GLY 77 - H LEU 95 lone 1 68 - 1 - Peak 10124 from nnoeabs.peaks (8.09, 7.60, 113.11 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.75: H ASN 96 + HD22 ASN 96 OK 65 72 - 90 - 5.5=57, 3.0/3172=40...(4) H ASP 16 + HD22 ASN 96 OK 28 99 - 29 - 11423/1.7=28 Peak 10125 from nnoeabs.peaks (8.69, 7.65, 117.93 ppm; 4.67 A): 0 out of 2 assignments used, low quality = 0.13: H ASN 130 - H LEU 97 OK 13 89 - 15 - 7626=4, 4.0/4428=3...(4) H VAL 53 - H LEU 97 lone 9 99 - 9 - 8244/4.7=5, 10136/4.8=1 Peak 10126 from nnoeabs.peaks (4.57, 8.08, 116.13 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.65: HA LEU 97 + H ASN 96 OK 52 62 - 84 - 2.9/7149=48...(7) HA MET 59 + H ASN 96 OK 19 94 - 20 - 11418/5.5=7, 4.9/9087=4...(6) HA ASN 130 + H ASN 96 OK 11 99 - 11 - 11418/5.5=8, 4.4/7135=1 Peak 10127 from nnoeabs.peaks (1.89, 7.65, 117.93 ppm; 4.53 A): 5 out of 9 assignments used, quality = 0.88: HB ILE 101 + H LEU 97 OK 60 94 - 63 - 3.0/11421=18...(11) HB3 ARG 141 + H LEU 97 OK 50 96 - 53 - 3.0/9099=11, 2.8/7158=9...(12) HB3 LYS 93 + H LEU 97 OK 19 100 - 19 - 10132/4.8=3, 3.4/7158=3...(6) HB3 LEU 69 + H LEU 97 OK 15 81 - 18 - 3.2/11420=5, 1.8/11422=4...(4) HB3 ARG 140 + H LEU 97 OK 12 100 - 12 - 10132/4.8=2, 4771/9099=1 HB3 ARG 89 - H LEU 97 lone 9 96 - 9 - 10109/4.8=2, 10131/5.0=1 QE MET 68 - H LEU 97 lone 7 72 - 9 - 9060/9098=1, 10108/5.0=1 HB2 LYS 24 - H LEU 97 lone 6 96 - 7 - 3354/11421=1 HB3 GLN 111 - H LEU 97 lone 6 99 - 6 - 11014/9847=2...(3) Peak 10155 from nnoeabs.peaks (8.31, 7.73, 114.05 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: H THR 99 + H SER 100 OK 100 100 - 100 - 4.6=100 H ASN 128 - H SER 100 OK 30 96 - 31 - 3300/4.0=5, 7601=5...(12) H THR 18 - H SER 100 lone 8 89 - 8 - 3295/4.4=2, 11278/2.9=1...(4) H VAL 71 - H SER 100 lone 4 68 - 6 - Peak 10165 from nnoeabs.peaks (0.90, 7.73, 114.05 ppm; 4.87 A): 7 out of 7 assignments used, quality = 0.95: QG2 VAL 80 + H SER 100 OK 61 100 - 61 - 8762/2.9=20, 8763=10...(16) QD1 ILE 101 + H SER 100 OK 42 85 - 49 - 5.0/7181=20, 9162/2.9=7...(8) QG2 ILE 101 + H SER 100 OK 38 72 - 52 - 4.0/7181=24, 9162/2.9=7...(10) QG2 ILE 136 + H SER 100 OK 28 72 - 39 - 4.3/10478=6, 2.1/9166=6...(12) QD1 LEU 97 + H SER 100 OK 22 62 - 35 - 9148/3.6=9, 9155/4.0=7...(8) QG1 VAL 63 + H SER 100 OK 18 81 - 22 - 9165/4.1=8, 9162/2.9=2...(7) QG1 VAL 53 + H SER 100 OK 17 85 - 20 - 11305/2.9=8, 9165/4.1=5 Peak 10168 from nnoeabs.peaks (6.91, 7.43, 121.94 ppm; 4.47 A): 0 out of 3 assignments used, low quality = 0.13: H LEU 29 - H ILE 101 OK 13 100 - 13 - 4.0/7191=4, 6123/4.7=4 HE21 GLN 22 - H ILE 101 lone 1 77 - 1 - HD2 HIS 14 - H ILE 101 lone 1 62 - 1 - Peak 10175 from nnoeabs.peaks (4.12, 7.43, 121.94 ppm; 4.12 A): 0 out of 2 assignments used, low quality = 0.22: HA ARG 145 - H ILE 101 OK 22 96 - 23 - 10387/3.6=21 HB THR 110 - H ILE 101 lone 2 72 - 3 - Peak 10188 from nnoeabs.peaks (0.89, 8.40, 115.87 ppm; 5.61 A): 6 out of 7 assignments used, quality = 0.86: QD1 ILE 101 + H SER 103 OK 45 89 - 51 - 10172/4.6=15...(7) QG2 ILE 101 + H SER 103 OK 41 77 - 53 - 3343/4.6=17, 9189/3.6=14...(7) QD1 LEU 97 + H SER 103 OK 23 68 - 35 - 10134/4.6=10, 9189/3.6=9...(5) QG1 VAL 63 + H SER 103 OK 21 77 - 28 - ~8364=13, 9193/4.6=6...(6) QG2 ILE 136 + H SER 103 OK 19 77 - 25 - 10457/4.6=5, 9189/3.6=4...(8) QG2 VAL 80 + H SER 103 OK 15 100 - 15 - 9193/4.6=7, 8754/4.2=2...(4) QG1 VAL 53 - H SER 103 lone 2 81 - 3 - Peak 10212 from nnoeabs.peaks (7.36, 7.70, 117.43 ppm; 4.96 A): 0 out of 2 assignments used, low quality = 0.11: QD PHE 43 - H PHE 106 OK 11 85 - 13 - 10207/3.7=8, 3427/3.0=4 H GLY 77 - H PHE 106 lone 3 100 - 3 - 10207/3.7=1 Peak 10213 from nnoeabs.peaks (0.76, 7.70, 117.43 ppm; 5.47 A): 5 out of 5 assignments used, quality = 0.91: QD1 LEU 108 + H PHE 106 OK 43 77 - 55 - 9260/3.6=18, 9237/3.5=13...(9) QD1 ILE 136 + H PHE 106 OK 42 100 - 42 - 9237/3.5=10, 4.8/7741=8...(10) QD2 LEU 72 + H PHE 106 OK 40 100 - 40 - 9954/3.6=11, 9221/3.7=8...(8) QD1 LEU 72 + H PHE 106 OK 39 100 - 39 - 10166/3.6=9, 9221/3.7=9...(10) QG2 VAL 73 + H PHE 106 OK 22 100 - 22 - 9221/3.7=7, 9218/4.6=4...(5) Peak 10214 from nnoeabs.peaks (3.73, 7.70, 117.43 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.52: HA THR 107 + H PHE 106 OK 42 62 - 68 - 3.0/7244=38, ~3454=15...(6) HA LEU 108 + H PHE 106 OK 17 98 - 17 - 3.8/10213=6, ~7266=5...(4) HB THR 74 - H PHE 106 lone 3 81 - 3 - Peak 10217 from nnoeabs.peaks (4.02, 7.70, 117.43 ppm; 3.50 A): 6 out of 7 assignments used, quality = 0.85: HB THR 107 + H PHE 106 OK 50 100 - 50 - 3454/3.5=18...(8) HB2 SER 103 + H PHE 106 OK 45 94 - 48 - 3.0/9216=11, 1.8/7238=11...(9) HA LYS 123 + H PHE 106 OK 18 100 - 18 - 4100/3.7=7, 7258/3.5=3...(5) HA VAL 63 + H PHE 106 OK 17 94 - 18 - 10170/4.0=5, 10219/4.0=4...(5) HA GLU 81 + H PHE 106 OK 12 100 - 12 - 10219/4.0=3, 10218/4.0=2...(6) HB3 SER 100 + H PHE 106 OK 11 94 - 12 - 7258/3.5=3, 1.8/7234=2...(4) HA GLU 37 - H PHE 106 lone 4 100 - 4 - Peak 10222 from nnoeabs.peaks (1.14, 8.15, 118.33 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.55: HG LEU 64 + H THR 107 OK 42 100 - 42 - 10164/4.1=13, ~9242=9...(12) HD2 LYS 123 + H THR 107 OK 23 57 - 40 - 1.8/7259=10, ~3449=7...(11) QG2 THR 18 - H THR 107 lone 8 100 - 8 - 10856/3.0=5 Peak 10236 from nnoeabs.peaks (6.43, 7.34, 118.51 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.93: HH2 TRP 88 + H ARG 109 OK 93 99 - 94 - 9268/2.9=37, 2.5/9269=34...(15) Peak 10239 from nnoeabs.peaks (1.21, 7.82, 114.50 ppm; 5.13 A): 3 out of 4 assignments used, quality = 0.75: QG2 THR 107 + H THR 110 OK 59 85 - 70 - 3.2/3451=27, 4.4/7303=26...(7) HG12 ILE 56 + H THR 110 OK 21 89 - 24 - 9286/4.1=15, 2.1/10603=6...(4) HG13 ILE 56 + H THR 110 OK 20 85 - 24 - 9286/4.1=15, 2.1/10603=6 HD3 LYS 123 - H THR 110 lone 8 89 - 9 - 3449/3451=4, 9286/4.1=2 Peak 10247 from nnoeabs.peaks (6.83, 8.87, 118.99 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.55: HZ2 TRP 88 + H MET 113 OK 36 81 - 45 - 10188/6.2=22...(6) HD22 ASN 54 + H MET 113 OK 19 100 - 19 - 9267/7373=5, 11656/5.2=3...(8) QD PHE 67 + H MET 113 OK 12 68 - 18 - 10188/6.2=7, 9267/7373=3...(5) Peak 10254 from nnoeabs.peaks (0.42, 8.87, 118.99 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.67: QG2 VAL 82 + H MET 113 OK 67 100 - 67 - 9320/3.0=38, 9324/4.1=17...(12) Peak 10287 from nnoeabs.peaks (7.16, 8.38, 115.59 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.89: QE TYR 115 + H LEU 116 OK 83 100 - 83 - 10208/3.6=30...(16) QD TYR 117 + H LEU 116 OK 37 72 - 51 - 4.6/11708=21...(8) Peak 10288 from nnoeabs.peaks (6.91, 8.38, 115.59 ppm; 6.07 A): 0 out of 3 assignments used, low quality = 0.41: H LEU 29 - H LEU 116 OK 33 100 - 33 - 6127/4.8=9, 9405/4.5=9...(6) HD2 HIS 14 - H LEU 116 OK 12 72 - 16 - 4.7/7436=9, 5501/3.6=5 HE21 GLN 22 - H LEU 116 lone 3 85 - 4 - Peak 10294 from nnoeabs.peaks (0.59, 8.38, 115.59 ppm; 5.05 A): 4 out of 5 assignments used, quality = 0.89: QD1 LEU 66 + H LEU 116 OK 53 81 - 65 - 9858/4.7=11, 9889/4.6=11...(14) QD1 LEU 132 + H LEU 116 OK 52 100 - 52 - 9368/4.6=14, 4729/4.8=13...(11) QG1 VAL 71 + H LEU 116 OK 41 98 - 41 - 9393/4.6=16, 9368/4.6=7...(8) QD1 ILE 56 + H LEU 116 OK 21 85 - 25 - 9393/4.6=7, 4729/4.8=7...(5) QG2 ILE 58 - H LEU 116 lone 9 89 - 10 - 10024/7443=3...(3) Peak 10300 from nnoeabs.peaks (0.63, 8.40, 120.32 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.58: QD2 LEU 79 + H TYR 117 OK 42 85 - 50 - 8716/4.5=18, 9981/6.4=10...(8) QD2 LEU 64 + H TYR 117 OK 19 100 - 19 - 11015/7454=5...(8) QD1 LEU 126 + H TYR 117 OK 11 92 - 11 - 9303/10184=2...(5) Peak 10304 from nnoeabs.peaks (7.21, 7.86, 121.00 ppm; 4.82 A): 5 out of 5 assignments used, quality = 0.73: QD PHE 45 + H TYR 119 OK 37 72 - 51 - 2.2/9427=25, ~9428=17...(4) HE3 TRP 88 + H TYR 119 OK 27 92 - 30 - 10303/2.8=10, 4753/4.0=8...(6) H GLU 37 + H TYR 119 OK 23 94 - 25 - 10303/2.8=9, 4753/4.0=7...(6) QD TYR 27 + H TYR 119 OK 12 94 - 13 - 10303/2.8=4, 4753/4.0=4 HE3 TRP 17 + H TYR 119 OK 11 89 - 13 - 4770/2.8=7, 11060/4768=3 Peak 10305 from nnoeabs.peaks (6.98, 7.86, 121.00 ppm; 5.27 A): 0 out of 1 assignment used, low quality = 0.16: HD2 HIS 10 - H TYR 119 OK 16 100 - 16 - 4775/10287=9, 9429/2.8=6 Peak 10306 from nnoeabs.peaks (6.24, 7.86, 121.00 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.81: QE TYR 119 + H TYR 119 OK 79 89 - 89 - 6.0=63, 3985/2.8=34...(5) HZ PHE 38 + H TYR 119 OK 10 85 - 12 - 5676/4.0=4, 3985/2.8=3...(4) Peak 10336 from nnoeabs.peaks (7.65, 8.21, 115.50 ppm; 4.91 A): 2 out of 5 assignments used, quality = 0.66: H GLU 122 + H ARG 124 OK 46 77 - 60 - 3.1/7540=34, 3.6/9488=20...(6) H LEU 66 + H ARG 124 OK 36 85 - 42 - 4.5/9475=19, 3.9/7543=6...(9) HD21 ASN 130 - H ARG 124 lone 5 94 - 5 - 7523/4.7=1, 10328/4.8=1 H LEU 97 - H ARG 124 lone 3 100 - 3 - H GLY 50 - H ARG 124 lone 2 96 - 2 - Peak 10340 from nnoeabs.peaks (2.30, 7.46, 120.20 ppm; 4.98 A): 3 out of 5 assignments used, quality = 0.55: HG2 GLU 120 + H LEU 126 OK 35 100 - 36 - 9494/4.7=9, 11604/4.0=7...(13) HG3 GLU 75 + H LEU 126 OK 20 85 - 23 - 9494/4.7=7, 9989/4.8=4...(7) HG3 GLU 81 + H LEU 126 OK 13 77 - 16 - 9494/4.7=9, 9969/4.8=6 HG3 GLN 62 - H LEU 126 lone 8 92 - 9 - 9494/4.7=3, 10252/3.0=2 HG2 GLN 62 - H LEU 126 lone 7 81 - 9 - 9494/4.7=3, 10252/3.0=2 Peak 10351 from nnoeabs.peaks (8.24, 8.97, 114.17 ppm; 6.42 A): 1 out of 2 assignments used, quality = 0.66: H GLY 125 + H SER 127 OK 66 89 - 74 - 4.6/7582=42...(8) H THR 102 - H SER 127 lone 3 96 - 3 - Peak 10354 from nnoeabs.peaks (8.20, 8.30, 115.99 ppm; 4.12 A): 0 out of 4 assignments used, low quality = 0.24: H GLU 142 - H ASN 128 OK 24 92 - 27 - 4.0/9500=6, 5.0/10395=5...(10) H ARG 141 - H ASN 128 lone 6 100 - 6 - 10353/4.7=2 H ARG 124 - H ASN 128 lone 3 72 - 4 - 10353/4.7=2, ~10360=2 H MET 11 - H ASN 128 lone 3 92 - 3 - Peak 10355 from nnoeabs.peaks (8.96, 8.30, 115.99 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.98: H SER 127 + H ASN 128 OK 98 98 - 100 - 4.6=100 H MET 59 - H ASN 128 lone 7 92 - 8 - 4.3/10580=3, 3.6/11448=2 Peak 10365 from nnoeabs.peaks (0.92, 8.97, 114.17 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.71: HB2 LEU 64 + H SER 127 OK 36 100 - 37 - 3.1/7587=17, 3.8/7592=5...(7) QG1 VAL 63 + H SER 127 OK 32 89 - 36 - 3.2/11450=10, 9875/3.6=5...(9) QG2 VAL 63 + H SER 127 OK 23 81 - 28 - 3.2/11450=10, 4.3/7592=5...(8) QD2 LEU 29 + H SER 127 OK 12 100 - 12 - 9520/4.0=2, 1842/7587=2...(4) QG2 ILE 91 - H SER 127 lone 7 81 - 8 - 8975/4.0=2, 1842/7587=1 QG1 VAL 53 - H SER 127 lone 6 85 - 7 - 9520/4.0=2 HB2 LEU 108 - H SER 127 lone 4 72 - 5 - 1842/7587=1 Peak 10366 from nnoeabs.peaks (0.81, 8.30, 115.99 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.38: QD1 LEU 95 - H ASN 128 OK 26 99 - 26 - 10363/4.7=15...(5) HG LEU 42 - H ASN 128 OK 17 100 - 17 - 10363/4.7=9, 10364/4.7=3 Peak 10373 from nnoeabs.peaks (8.18, 7.72, 115.38 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.89: H GLU 131 + HD21 ASN 128 OK 83 100 - 83 - 10357/3.4=26...(14) H GLU 142 + HD21 ASN 128 OK 33 94 - 36 - 10374/1.7=8, 10354/5.6=6...(10) Peak 10374 from nnoeabs.peaks (8.20, 7.00, 115.38 ppm; 4.86 A): 2 out of 5 assignments used, quality = 0.68: H GLU 131 + HD22 ASN 128 OK 50 68 - 74 - 5.0/9510=14...(14) H GLU 142 + HD22 ASN 128 OK 35 96 - 36 - 10354/5.6=15, 4.0/9512=6...(10) H ARG 141 - HD22 ASN 128 lone 7 100 - 7 - 10354/5.6=4, ~7820=1 H MET 11 - HD22 ASN 128 lone 3 85 - 4 - 10354/5.6=2 H ARG 124 - HD22 ASN 128 lone 2 62 - 3 - 10354/5.6=2 Peak 10384 from nnoeabs.peaks (4.93, 7.64, 113.38 ppm; 4.77 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10386 from nnoeabs.peaks (8.70, 7.64, 113.38 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.70: H ASN 130 + HD21 ASN 130 OK 60 62 - 97 - 5.5=66, 2.9/7632=36...(10) H VAL 53 + HD21 ASN 130 OK 23 85 - 27 - 10387/1.7=13, 4417/3.4=5...(5) Peak 10387 from nnoeabs.peaks (8.70, 7.00, 113.38 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.70: H ASN 130 + HD22 ASN 130 OK 59 62 - 94 - 5.5=59, 2.9/7638=32...(11) H VAL 53 + HD22 ASN 130 OK 27 85 - 31 - 10386/1.7=11, 4417/3.4=5...(7) Peak 10388 from nnoeabs.peaks (8.30, 8.68, 117.41 ppm; 4.90 A): 2 out of 5 assignments used, quality = 0.74: H ASN 128 + H ASN 130 OK 70 94 - 75 - 3.9/10539=29...(14) H VAL 71 + H ASN 130 OK 11 100 - 11 - 10393/4.6=3...(3) H THR 99 - H ASN 130 poor 8 62 - 13 - 10393/4.6=3, 3.0/1348=2...(5) H THR 18 - H ASN 130 lone 6 99 - 6 - 10393/4.6=2 H LEU 64 - H ASN 130 lone 3 92 - 3 - Peak 10390 from nnoeabs.peaks (8.05, 8.68, 117.41 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.63: H GLN 133 + H ASN 130 OK 63 77 - 82 - 4414/2.9=32...(8) Peak 10393 from nnoeabs.peaks (8.31, 8.18, 122.13 ppm; 4.03 A): 3 out of 4 assignments used, quality = 0.79: H ASN 128 + H GLU 131 OK 71 100 - 71 - 3.9/10357=15...(14) H VAL 71 + H GLU 131 OK 15 85 - 18 - 11644/4.0=4, 10394/4.0=4...(8) H THR 99 + H GLU 131 OK 14 96 - 14 - 10385/4.7=3, 4.6/7654=2...(6) H THR 18 - H GLU 131 lone 9 98 - 9 - 11644/4.0=2, 10394/4.0=2 Peak 10399 from nnoeabs.peaks (7.02, 8.18, 122.13 ppm; 5.36 A): 0 out of 1 assignment used, low quality = 0.15: HZ PHE 45 - H GLU 131 OK 15 77 - 19 - 10401/5.0=6, 4826/3.0=3...(7) Peak 10403 from nnoeabs.peaks (4.61, 7.73, 121.57 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.65: HA PRO 129 + H LEU 132 OK 56 100 - 56 - 10270/4.4=14...(13) HA HIS 10 + H LEU 132 OK 12 96 - 12 - 9584/3.6=3, 9587/2.8=2...(4) HA ARG 124 + H LEU 132 OK 11 77 - 14 - 9585/3.6=3, 9584/3.6=3...(5) Peak 10425 from nnoeabs.peaks (1.49, 7.73, 121.57 ppm; 4.11 A): 5 out of 5 assignments used, quality = 0.79: QB ALA 134 + H LEU 132 OK 43 68 - 64 - 2.9/7672=38, 4439/3.6=16...(8) HB3 LEU 29 + H LEU 132 OK 33 96 - 35 - 9623/4.7=6, 10531/4.6=6...(12) HG13 ILE 101 + H LEU 132 OK 22 100 - 22 - 9623/4.7=5, 9550/4.5=4...(8) HG2 LYS 34 + H LEU 132 OK 21 96 - 22 - 9556/4.6=3, 9550/4.5=3...(9) HD3 LYS 114 + H LEU 132 OK 10 100 - 10 - 3.0/9588=2, 9550/4.5=2...(4) Peak 10435 from nnoeabs.peaks (8.06, 6.81, 114.47 ppm; 5.30 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10436 from nnoeabs.peaks (8.21, 6.81, 114.47 ppm; 5.25 A): 3 out of 6 assignments used, quality = 0.92: H ILE 136 + HE21 GLN 133 OK 75 100 - 75 - ~11429=23, 4.8/9664=19...(13) H ARG 124 + HE21 GLN 133 OK 43 100 - 43 - 4.7/10437=24, 4527/5.3=7...(11) H THR 74 + HE21 GLN 133 OK 42 94 - 45 - 3.2/8547=17, 4.4/8554=9...(14) H MET 11 - HE21 GLN 133 lone 5 94 - 5 - H GLY 125 - HE21 GLN 133 lone 4 68 - 6 - 4527/5.3=1 H ARG 141 - HE21 GLN 133 lone 2 68 - 3 - Peak 10437 from nnoeabs.peaks (8.47, 6.81, 114.47 ppm; 4.84 A): 0 out of 2 assignments used, low quality = 0.17: H LYS 123 - HE21 GLN 133 OK 17 96 - 18 - 4.7/9609=9, 4.7/10436=6 H GLY 15 - HE21 GLN 133 lone 3 72 - 4 - 4079/9609=1 Peak 10440 from nnoeabs.peaks (4.48, 6.81, 114.47 ppm; 5.20 A): 0 out of 3 assignments used, low quality = 0.00: HA SER 44 - HE21 GLN 133 lone 6 68 - 9 - 8178/3.5=2, 8178/3.5=2 HA SER 103 - HE21 GLN 133 lone 4 62 - 6 - 8178/3.5=1, 8178/3.5=1 HA ASP 13 - HE21 GLN 133 lone 3 89 - 3 - 112/10477=1 Peak 10441 from nnoeabs.peaks (4.47, 7.79, 114.47 ppm; 5.15 A): 3 out of 5 assignments used, quality = 0.63: HA ASP 137 + HE22 GLN 133 OK 50 99 - 51 - 2.9/11429=31, ~11428=12...(6) HA SER 44 + HE22 GLN 133 OK 16 100 - 16 - 10440/1.7=5, 8178/3.5=2...(6) HA ASP 41 + HE22 GLN 133 OK 12 94 - 13 - 3.0/9603=6, 9679/9607=2...(4) HA SER 103 - HE22 GLN 133 lone 10 100 - 10 - 10440/1.7=3, 9679/9607=2...(6) HA3 GLY 31 - HE22 GLN 133 lone 3 100 - 3 - Peak 10449 from nnoeabs.peaks (8.44, 7.69, 119.76 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.91: H ASP 137 + H ALA 134 OK 90 98 - 92 - 4571/2.8=40, 9601/3.6=36...(15) H GLY 15 + H ALA 134 OK 11 68 - 16 - 7737/3.5=6, 4571/2.8=4...(4) Peak 10460 from nnoeabs.peaks (4.47, 8.22, 118.96 ppm; 4.64 A): 4 out of 5 assignments used, quality = 0.92: HA ASP 137 + H ILE 136 OK 85 92 - 93 - 2.9/7752=36, 3.6/7774=29...(16) HA ASP 41 + H ILE 136 OK 19 81 - 24 - 9679/4.0=5, ~4601=4...(7) HA SER 44 + H ILE 136 OK 19 100 - 19 - 9679/4.0=4, 7766/3.4=3...(6) HA SER 103 + H ILE 136 OK 15 100 - 15 - 9679/4.0=4, 7766/3.4=2...(5) HA3 GLY 31 - H ILE 136 lone 6 100 - 6 - 7766/3.4=2, 9679/4.0=1 Peak 10464 from nnoeabs.peaks (1.35, 8.22, 118.96 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.57: HD3 LYS 76 + H ILE 136 OK 40 96 - 41 - 3.0/9652=5, 10338/4.0=5...(13) HB3 ARG 49 + H ILE 136 OK 16 92 - 18 - 9688/4.8=3, 10338/4.0=3...(4) QB ALA 60 + H ILE 136 OK 15 72 - 20 - 8326/3.9=6, 9816/3.6=5...(4) Peak 10471 from nnoeabs.peaks (2.44, 8.45, 121.14 ppm; 5.16 A): 5 out of 7 assignments used, quality = 0.76: HG2 GLN 133 + H ASP 137 OK 43 62 - 69 - 4.0/9601=31...(15) HG2 MET 68 + H ASP 137 OK 28 96 - 29 - 3.7/7755=5, 1981/4.6=4...(10) HG3 GLN 47 + H ASP 137 OK 17 81 - 21 - ~1099=2, ~1109=2...(9) HG2 GLN 47 + H ASP 137 OK 17 81 - 21 - ~1099=2, ~1109=2...(9) HG3 GLU 131 + H ASP 137 OK 14 98 - 14 - 9563/4.3=3, 7664/10478=2...(4) HB3 PRO 33 - H ASP 137 lone 7 100 - 7 - HG2 MET 11 - H ASP 137 lone 5 99 - 5 - Peak 10474 from nnoeabs.peaks (3.85, 8.14, 115.13 ppm; 4.50 A): 4 out of 5 assignments used, quality = 0.48: HA ALA 104 + H SER 138 OK 19 68 - 28 - 2.1/10191=13, 3.6/7231=8, 3402=5 HA LYS 36 + H SER 138 OK 19 62 - 30 - 4.9/11627=8, 6.4/9712=5...(9) HB2 SER 127 + H SER 138 OK 12 81 - 14 - 9520/9702=3, 1.8/7781=1...(5) HA MET 68 + H SER 138 OK 10 77 - 13 - 3402=2, ~10469=2...(5) HA LEU 72 - H SER 138 lone 7 98 - 8 - ~10469=1 Peak 10475 from nnoeabs.peaks (4.00, 8.45, 121.14 ppm; 4.35 A): 2 out of 9 assignments used, quality = 0.99: HB2 SER 138 + H ASP 137 OK 89 100 - 89 - 4.0/7776=31...(17) HB3 SER 138 + H ASP 137 OK 89 100 - 89 - 4.0/7776=31...(17) HA LEU 69 - H ASP 137 OK 21 100 - 21 - 10963/4.3=5, 4.9/7755=3...(6) HA LYS 114 - H ASP 137 OK 20 100 - 20 - 4.8/9694=5, 7781/3.2=2...(6) HB3 SER 127 - H ASP 137 OK 19 89 - 21 - 9521/4.3=4, ~10474=3...(6) HA GLU 122 - H ASP 137 OK 13 100 - 13 - 3.0/9694=3, ~9699=2...(4) HA MET 113 - H ASP 137 OK 12 100 - 12 - 10331/4.3=3...(4) HB3 SER 100 - H ASP 137 OK 11 62 - 17 - 4.1/10478=5, 10473/3.6=4...(4) HB2 SER 103 - H ASP 137 poor 8 62 - 12 - 3.0/7766=3, ~3394=2...(6) Peak 10477 from nnoeabs.peaks (6.81, 8.14, 115.13 ppm; 5.47 A): 1 out of 4 assignments used, quality = 0.45: HE21 GLN 133 + H SER 138 OK 45 100 - 45 - ~11429=26, 11428/3.2=16...(5) QD PHE 67 - H SER 138 lone 8 77 - 10 - 11428/3.2=3...(4) HD21 ASN 96 - H SER 138 lone 6 98 - 6 - 11428/3.2=2, 7139/4.5=1 HZ2 TRP 88 - H SER 138 lone 3 62 - 5 - 11428/3.2=2, 10802/11624=1 Peak 10478 from nnoeabs.peaks (7.72, 8.45, 121.14 ppm; 5.59 A): 3 out of 4 assignments used, quality = 0.62: H LEU 132 + H ASP 137 OK 37 98 - 37 - 7672/10449=15...(7) H SER 100 + H ASP 137 OK 25 98 - 25 - 9166/4.6=5, 10165/4.3=4...(9) H GLN 62 + H ASP 137 OK 20 94 - 22 - 11398/7788=14, ~10484=2...(5) HD21 ASN 128 - H ASP 137 lone 4 100 - 4 - 9663/4642=1 Peak 10483 from nnoeabs.peaks (9.67, 8.14, 115.13 ppm; 4.54 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10484 from nnoeabs.peaks (4.65, 8.14, 115.13 ppm; 4.68 A): 4 out of 7 assignments used, quality = 0.95: HA ASN 139 + H SER 138 OK 89 100 - 89 - 3.0/7783=44, 3.6/7815=22...(16) HA GLN 111 + H SER 138 OK 23 94 - 25 - 10485/2.9=4, 7794/4.3=4...(9) HA ASP 32 + H SER 138 OK 22 92 - 24 - 10351/4.5=4, 3.0/7778=4...(10) HA GLN 62 + H SER 138 OK 15 81 - 18 - 7794/4.3=5, ~10478=3...(8) HA LEU 87 - H SER 138 lone 7 81 - 9 - 10350/2.9=2, 7794/4.3=1 HG1 THR 110 - H SER 138 lone 4 94 - 4 - HA MET 11 - H SER 138 lone 3 68 - 5 - Peak 10491 from nnoeabs.peaks (6.96, 7.93, 119.91 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.90: HD21 ASN 139 + H ASN 139 OK 90 94 - 96 - 5.8=55, 3.5/4696=42...(13) QD PHE 38 - H ASN 139 lone 4 92 - 5 - Peak 10492 from nnoeabs.peaks (8.15, 6.95, 114.43 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.77: H SER 138 + HD21 ASN 139 OK 74 99 - 74 - 7783/5.8=29, 3.6/9746=21...(8) H THR 107 + HD21 ASN 139 OK 14 100 - 14 - 7790/5.8=4, 4.1/9744=4...(4) H HIS 14 - HD21 ASN 139 lone 4 89 - 4 - 7790/5.8=2 Peak 10501 from nnoeabs.peaks (4.50, 8.20, 121.17 ppm; 4.74 A): 0 out of 2 assignments used, low quality = 0.00: HA ASP 13 - H ARG 141 lone 1 96 - 1 - HA TYR 115 - H ARG 141 lone 1 72 - 1 - Peak 10509 from nnoeabs.peaks (7.99, 8.19, 120.42 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.59: H ARG 140 + H GLU 142 OK 39 100 - 39 - 4.0/7852=7, 7830=7...(9) H ALA 104 + H GLU 142 OK 25 99 - 25 - 10510/2.9=10, 9206/3.6=4...(8) H VAL 73 + H GLU 142 OK 10 100 - 10 - 7832/4.6=3, 10510/2.9=2 H GLN 47 - H GLU 142 lone 8 99 - 8 - 7832/4.6=3, 4.0/7860=2 H ARG 145 - H GLU 142 lone 4 72 - 6 - 10510/2.9=2 Peak 10530 from nnoeabs.peaks (0.89, 9.31, 129.85 ppm; 5.99 A): 4 out of 5 assignments used, quality = 1.00: QD1 ILE 101 + H ALA 60 OK 91 100 - 92 - 10540=27, ~8316=27...(19) QG2 ILE 101 + H ALA 60 OK 84 96 - 87 - 3.1/10540=22, ~8316=22...(18) QD1 LEU 97 + H ALA 60 OK 74 92 - 81 - ~11586=19, 11585/2.9=19...(16) QG2 ILE 136 + H ALA 60 OK 53 96 - 55 - ~9692=20, ~8326=11...(13) QG2 VAL 80 - H ALA 60 OK 15 98 - 16 - 8272/10583=8, 8297/4.5=3...(4) Peak 10531 from nnoeabs.peaks (3.60, 9.54, 128.00 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.76: HA ARG 109 + HE1 TRP 88 OK 62 77 - 81 - 9267/2.8=17, 9268/5.0=15...(15) HA2 GLY 31 + HE1 TRP 88 OK 37 100 - 37 - 4702/2.8=30, 4703/5.0=7 Peak 10532 from nnoeabs.peaks (2.05, 7.73, 114.05 ppm; 6.00 A): 3 out of 5 assignments used, quality = 0.81: HG2 PRO 98 + H SER 100 OK 49 94 - 52 - 2.3/10145=26...(7) HG3 PRO 98 + H SER 100 OK 44 98 - 45 - 2.3/10145=26...(7) HB2 PRO 52 + H SER 100 OK 32 100 - 32 - 2.3/7175=9, 1349/3.6=8...(7) HB2 PRO 33 - H SER 100 poor 9 72 - 12 - 10533/4.6=4, 7165/4.6=2...(4) HA ARG 35 - H SER 100 lone 5 98 - 5 - 7166/4.6=1 Peak 10533 from nnoeabs.peaks (2.04, 7.43, 121.94 ppm; 4.80 A): 5 out of 6 assignments used, quality = 0.89: HG2 PRO 98 + H ILE 101 OK 65 100 - 65 - 2.3/10146=17...(9) HB3 LYS 34 + H ILE 101 OK 33 81 - 41 - 9180/5.0=10...(8) HG3 PRO 98 + H ILE 101 OK 31 62 - 49 - 2.3/10146=17...(6) HB2 PRO 33 + H ILE 101 OK 27 100 - 27 - 10534/3.9=6, 10180/4.7=5...(6) HB2 PRO 52 + H ILE 101 OK 11 77 - 15 - 2.3/10152=4, 10532/4.6=3...(6) HA ARG 35 - H ILE 101 lone 2 62 - 4 - Peak 10538 from nnoeabs.peaks (3.86, 8.40, 120.32 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.55: HA LYS 36 + H TYR 117 OK 47 94 - 50 - 11600/3.9=29, 3937/4.8=8...(8) HA LEU 72 + H TYR 117 OK 16 72 - 21 - 2112=6, 3.6/6769=4...(6) Peak 10539 from nnoeabs.peaks (2.99, 8.68, 117.41 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.60: HB3 ASN 128 + H ASN 130 OK 60 94 - 64 - 10358=13, 3.9/10388=12...(14) HB3 HIS 14 - H ASN 130 lone 5 100 - 5 - 1.8/7625=2 HB2 ASP 30 - H ASN 130 lone 5 68 - 7 - 10284/4.1=3, 9525/7622=2 HA VAL 82 - H ASN 130 lone 4 85 - 5 - Peak 10557 from nnoeabs.peaks (9.20, 7.34, 118.51 ppm; 5.91 A): 2 out of 2 assignments used, quality = 0.89: H TYR 112 + H ARG 109 OK 84 99 - 85 - 7354/2.9=41, 3.3/7299=39...(8) H ASP 65 + H ARG 109 OK 35 100 - 35 - 3526/2.9=11, 7317/4.6=8...(8) Peak 10558 from nnoeabs.peaks (9.55, 7.34, 118.51 ppm; 5.86 A): 1 out of 1 assignment used, quality = 0.66: HE1 TRP 88 + H ARG 109 OK 66 72 - 92 - 2.8/9269=32...(17) Peak 10559 from nnoeabs.peaks (6.45, 9.19, 121.48 ppm; 5.75 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10562 from nnoeabs.peaks (2.38, 8.97, 125.89 ppm; 6.44 A): 2 out of 7 assignments used, quality = 1.00: HG2 MET 59 + H MET 59 OK 100 100 - 100 - 4.7=100 HG3 MET 59 + H MET 59 OK 94 94 - 100 - 4.7=100 HG2 GLN 25 - H MET 59 OK 40 94 - 42 - 1597/3.0=6, 1613/3.9=6...(12) HB ILE 91 - H MET 59 OK 26 94 - 28 - 1606/3.9=7, 1614/3.9=7...(6) HG3 GLU 37 - H MET 59 OK 25 100 - 25 - 6554/4.5=4, 9181/8297=3...(9) HG3 MET 11 - H MET 59 OK 24 98 - 25 - 1605/3.9=3, 1597/3.0=3...(11) HG2 MET 46 - H MET 59 OK 12 92 - 13 - 1613/3.9=3, 1605/3.9=3...(5) Peak 10612 from nnoeabs.peaks (7.84, 7.84, 119.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + H ARG 55 OK 100 100 - 100 Peak 10613 from nnoeabs.peaks (8.66, 7.84, 119.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + H ARG 55 OK 100 100 - 100 - 4.5=100 H THR 92 - H ARG 55 OK 13 68 - 19 - 4.3/10618=11, 1414/4.0=3...(5) Peak 10614 from nnoeabs.peaks (8.26, 7.84, 119.00 ppm; 4.73 A): 0 out of 5 assignments used, low quality = 0.16: H GLN 25 - H ARG 55 OK 16 89 - 18 - 4.6/11353=6, 3.6/11347=5...(5) H LEU 39 - H ARG 55 lone 7 96 - 7 - 4.7/10616=3, 6266/4.0=2, ~9859=1 H ALA 105 - H ARG 55 lone 6 85 - 7 - 4.6/11456=5 H ASP 32 - H ARG 55 lone 1 99 - 1 - H GLY 143 - H ARG 55 lone 1 99 - 1 - Peak 10615 from nnoeabs.peaks (4.69, 7.84, 119.00 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + H ARG 55 OK 100 100 - 100 - 3.0=100 Peak 10616 from nnoeabs.peaks (1.78, 7.84, 119.00 ppm; 4.01 A): 1 out of 9 assignments used, quality = 0.99: * HB3 ARG 55 + H ARG 55 OK 99 99 - 100 - 4.0=100 HG LEU 39 - H ARG 55 OK 13 96 - 14 - 1402/3.0=4, 4.7/10614=4 HB3 ARG 145 - H ARG 55 poor 8 72 - 11 - 4.0/11456=6, 1402/3.0=2 HG LEU 72 - H ARG 55 lone 8 96 - 8 - 1402/3.0=2, 6761/11456=1 HG2 PRO 57 - H ARG 55 lone 5 98 - 6 - 6508/4.5=2, 1402/3.0=1 HB3 MET 59 - H ARG 55 lone 5 100 - 5 - 1402/3.0=2, 6508/4.5=1 HB3 ARG 35 - H ARG 55 lone 3 81 - 3 - HD2 LYS 34 - H ARG 55 lone 2 68 - 2 - HD3 LYS 34 - H ARG 55 lone 2 68 - 2 - Peak 10617 from nnoeabs.peaks (1.54, 7.84, 119.00 ppm; 4.68 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 55 + H ARG 55 OK 98 100 - 98 - 5.1=78, 1415/3.0=21...(21) HG3 ARG 55 + H ARG 55 OK 97 99 - 98 - 5.1=78, 1415/3.0=21...(21) HB3 LEU 79 - H ARG 55 lone 5 92 - 5 - 1411/4.0=2 HD2 LYS 76 - H ARG 55 lone 4 81 - 5 - HG3 LYS 76 - H ARG 55 lone 3 62 - 4 - HG2 LYS 93 - H ARG 55 lone 1 62 - 1 - Peak 10618 from nnoeabs.peaks (0.91, 7.84, 119.00 ppm; 4.27 A): 0 out of 6 assignments used, low quality = 0.00: QD2 LEU 29 - H ARG 55 lone 7 100 - 7 - 2.1/10835=4 QG2 ILE 91 - H ARG 55 lone 5 68 - 7 - 10079/11456=2, 4.3/10613=1 QG1 VAL 63 - H ARG 55 lone 3 96 - 3 - QG1 VAL 53 - H ARG 55 lone 3 94 - 3 - HB2 LEU 64 - H ARG 55 lone 2 96 - 2 - QG2 VAL 63 - H ARG 55 lone 1 68 - 1 - Peak 10619 from nnoeabs.peaks (4.81, 7.84, 119.00 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.72: HA ASN 54 + H ARG 55 OK 72 72 - 99 - 3.6=99 HA TRP 17 - H ARG 55 lone 1 100 - 1 - Peak 10620 from nnoeabs.peaks (2.83, 7.84, 119.00 ppm; 6.59 A): 1 out of 5 assignments used, quality = 0.99: HB3 ASN 54 + H ARG 55 OK 99 99 - 100 - 4.5=100 HB2 ASP 40 - H ARG 55 OK 29 92 - 32 - 10623/3.6=10...(6) HB2 ASN 139 - H ARG 55 lone 7 77 - 10 - 4.6/11456=3, 9740/5.1=2 HE3 LYS 114 - H ARG 55 lone 3 62 - 4 - HB2 ASN 130 - H ARG 55 lone 2 77 - 3 - Peak 10621 from nnoeabs.peaks (2.75, 7.84, 119.00 ppm; 4.83 A): 1 out of 9 assignments used, quality = 1.00: HB2 ASN 54 + H ARG 55 OK 100 100 - 100 - 4.5=100 HB3 ASP 40 - H ARG 55 OK 21 96 - 22 - 10622/3.6=9, 11663=5...(4) HG3 MET 113 - H ARG 55 lone 6 100 - 6 - 10432/3.6=2, 9860/5.1=1 HB3 PHE 43 - H ARG 55 lone 5 100 - 5 - 2.7/11212=1, 10432/3.6=1 HE2 LYS 76 - H ARG 55 lone 4 85 - 5 - HB2 ASN 96 - H ARG 55 lone 3 85 - 3 - 3.9/9097=1 HE3 LYS 76 - H ARG 55 lone 3 68 - 4 - HE2 LYS 114 - H ARG 55 lone 2 81 - 3 - HB3 ASP 137 - H ARG 55 lone 2 100 - 2 - Peak 10653 from nnoeabs.peaks (8.54, 8.01, 109.39 ppm; 5.79 A): 0 out of 3 assignments used, low quality = 0.40: H MET 46 - H THR 51 OK 23 100 - 23 - 5.9/8217=10, 9805/4.4=9 H GLN 111 - H THR 51 OK 21 89 - 24 - 9805/4.4=15, 3.6/6486=6...(4) H CYS 121 - H THR 51 lone 7 98 - 7 - 9805/4.4=3, 1082/8217=2 Peak 10670 from nnoeabs.peaks (0.97, 7.39, 115.67 ppm; 4.62 A): 7 out of 8 assignments used, quality = 0.88: QG2 THR 51 + H ARG 49 OK 51 77 - 66 - 4.0/8208=20...(12) HG3 ARG 35 + H ARG 49 OK 27 81 - 33 - 10467/3.7=8, 10466/2.9=6...(9) QD1 LEU 29 + H ARG 49 OK 25 85 - 30 - 8070/4.6=9, 10658/2.9=5...(10) HB2 LEU 39 + H ARG 49 OK 22 89 - 25 - 10658/2.9=4, 10661/6.4=3...(10) QD1 LEU 29 + H LYS 114 OK 22 82 - 27 - 10843/3.9=5, 3.1/7409=5...(8) QG2 THR 51 + H LYS 114 OK 17 74 - 22 - 4.0/8208=8, 10647=4...(6) HG3 ARG 35 + H LYS 114 OK 13 78 - 16 - 624/4.9=3, ~3735=3...(6) HB2 LEU 39 - H LYS 114 poor 9 86 - 11 - 4.3/6286=5, 1.8/6466=1 Peak 10676 from nnoeabs.peaks (2.06, 7.99, 119.79 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.97: HB2 PRO 52 + H GLN 47 OK 78 99 - 79 - ~10454=18, ~10672=16...(16) HG3 PRO 98 + H GLN 47 OK 73 100 - 73 - 2.3/6399=15...(14) HG2 PRO 98 + H GLN 47 OK 51 72 - 70 - 2.3/6399=15, 2.3/6407=13...(14) HD2 ARG 49 - H GLN 47 OK 17 77 - 22 - 8193/3.6=9, 3.0/8183=8...(4) HB3 GLN 62 - H GLN 47 poor 10 85 - 11 - ~10473=5, 10472/2.9=3 HA ARG 35 - H GLN 47 lone 7 100 - 7 - 591/4.6=2 HB2 LEU 26 - H GLN 47 lone 3 68 - 4 - 1.8/8183=1 HB3 LYS 61 - H GLN 47 lone 1 62 - 2 - Peak 10679 from nnoeabs.peaks (4.13, 7.99, 119.79 ppm; 4.48 A): 0 out of 2 assignments used, low quality = 0.24: HA ARG 145 - H GLN 47 OK 24 99 - 24 - 10389/3.6=22 HA GLU 131 - H GLN 47 lone 1 68 - 1 - Peak 10713 from nnoeabs.peaks (1.06, 8.54, 117.25 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.78: QG2 VAL 53 + H MET 46 OK 52 99 - 53 - 8241/4.0=19...(8) HG13 ILE 91 + H MET 46 OK 41 85 - 49 - 10707/5.1=9, 3.0/6388=7...(12) HG3 LYS 114 + H MET 46 OK 22 98 - 22 - 10699/5.9=5, 10707/5.1=4...(6) HG2 ARG 35 - H MET 46 poor 8 77 - 11 - ~11042=4, ~10501=3...(4) Peak 10714 from nnoeabs.peaks (0.54, 8.54, 117.25 ppm; 4.66 A): 0 out of 1 assignment used, low quality = 0.15: QD1 ILE 58 - H MET 46 OK 15 72 - 21 - 10494/5.9=6, 10620/5.1=6...(5) Peak 10733 from nnoeabs.peaks (1.01, 8.64, 121.36 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 116 + H LEU 42 OK 81 100 - 81 - 9392/5.1=31, 9391/4.4=29...(18) QD2 LEU 69 + H LEU 42 OK 72 100 - 72 - 2044=20, 2.1/2036=15...(14) Peak 10734 from nnoeabs.peaks (0.66, 8.64, 121.36 ppm; 5.71 A): 3 out of 3 assignments used, quality = 0.90: QD2 LEU 39 + H LEU 42 OK 65 98 - 66 - 8122/5.1=34, 3.9/6304=19...(10) QD2 LEU 66 + H LEU 42 OK 59 96 - 62 - 8405/5.1=35, 4.0/1879=11...(11) QD1 ILE 83 + H LEU 42 OK 29 77 - 38 - 3.1/6313=6, 11725/3.8=6...(11) Peak 10759 from nnoeabs.peaks (1.05, 8.27, 119.51 ppm; 4.50 A): 4 out of 4 assignments used, quality = 0.75: HB2 LEU 116 + H LEU 39 OK 38 62 - 61 - 3.1/6264=10, 1.8/6268=9...(19) HG13 ILE 91 + H LEU 39 OK 36 100 - 36 - 8111/4.3=10, 8121/4.8=5...(12) HG3 LYS 114 + H LEU 39 OK 21 100 - 21 - 8111/4.3=10, 8121/4.8=4...(5) QG2 VAL 53 + H LEU 39 OK 20 100 - 20 - 8111/4.3=8, 8240/2.9=6...(4) Peak 10764 from nnoeabs.peaks (4.11, 7.21, 115.43 ppm; 4.01 A): 0 out of 4 assignments used, low quality = 0.26: HD3 PRO 33 - H GLU 37 OK 15 72 - 20 - 2.3/6219=6, 2.3/6219=5...(5) HA PRO 52 - H GLU 37 OK 13 89 - 14 - 2.3/6215=8, 3.8/6228=2 HA THR 99 - H GLU 37 lone 5 99 - 5 - 10120/10086=3 HB THR 110 - H GLU 37 lone 2 100 - 2 - Peak 10773 from nnoeabs.peaks (7.88, 7.19, 118.11 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.76: H PHE 38 + H LYS 36 OK 76 89 - 85 - 6235=34, 6231/3.9=32...(12) HD22 ASN 139 - H LYS 36 poor 10 68 - 14 - ~11207=10 Peak 10774 from nnoeabs.peaks (8.27, 7.19, 118.11 ppm; 5.66 A): 3 out of 4 assignments used, quality = 1.00: H LEU 39 + H LYS 36 OK 95 100 - 95 - 6253/2.8=44, 4.3/6235=34...(17) H GLN 25 + H LYS 36 OK 82 100 - 82 - 4.0/11462=29...(16) H ASP 32 + H LYS 36 OK 49 85 - 58 - 10814=15, 8082/4.6=13...(12) H GLY 143 - H LYS 36 OK 28 100 - 27 - 658/2.8=5, 7867/3.9=4...(10) Peak 10775 from nnoeabs.peaks (8.91, 7.19, 118.11 ppm; 4.48 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10776 from nnoeabs.peaks (6.71, 7.19, 118.11 ppm; 5.49 A): 3 out of 3 assignments used, quality = 0.87: QE TYR 27 + H LYS 36 OK 63 72 - 87 - 11205/2.8=29...(19) QE TYR 70 + H LYS 36 OK 52 100 - 52 - ~9804=19, 8101/2.8=15...(8) HZ PHE 43 + H LYS 36 OK 25 92 - 27 - 8125/11242=7, 8101/2.8=6...(8) Peak 10785 from nnoeabs.peaks (3.98, 7.19, 118.11 ppm; 5.12 A): 2 out of 9 assignments used, quality = 0.55: HA GLU 75 + H LYS 36 OK 35 92 - 38 - 10517/3.9=31, ~2216=4, ~2208=4 HA LYS 114 + H LYS 36 OK 31 72 - 43 - 3.6/10263=23...(7) HA LEU 69 - H LYS 36 poor 9 77 - 12 - ~660=2, ~660=2, 10915/301=1 HA3 GLY 143 - H LYS 36 lone 7 72 - 10 - 3.0/10774=3, ~658=3, 9755/3.9=1 HA GLU 122 - H LYS 36 lone 7 72 - 9 - 3.9/11711=2 HA MET 113 - H LYS 36 lone 5 72 - 6 - 3766/10263=1, 9320/10000=1 HB3 SER 138 - H LYS 36 lone 4 77 - 6 - 3766/10263=1 HB2 SER 138 - H LYS 36 lone 4 77 - 5 - 3766/10263=1 HB3 SER 127 - H LYS 36 lone 3 100 - 3 - Peak 10786 from nnoeabs.peaks (4.05, 7.19, 118.11 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.89: HD2 PRO 33 + H LYS 36 OK 58 100 - 59 - 3.6/10787=18...(13) HA GLN 25 + H LYS 36 OK 54 96 - 56 - 2.9/11462=21...(12) HA LYS 24 + H LYS 36 OK 44 81 - 55 - 11340=24, 3.0/11341=16...(10) Peak 10787 from nnoeabs.peaks (4.41, 7.19, 118.11 ppm; 4.22 A): 3 out of 3 assignments used, quality = 0.70: HA PRO 33 + H LYS 36 OK 54 100 - 54 - 10791/3.9=17...(10) HA ASP 40 + H LYS 36 OK 21 81 - 25 - ~6272=11, 10791/3.9=5...(6) HA PRO 57 + H LYS 36 OK 18 99 - 18 - 10791/3.9=4, 10790/3.9=3...(7) Peak 10788 from nnoeabs.peaks (2.41, 7.19, 118.11 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.84: HG3 GLN 25 + H LYS 36 OK 50 72 - 69 - 2.9/11462=43...(9) HB3 PRO 118 + H LYS 36 OK 50 99 - 50 - 3959/3.9=9, ~3969=8...(12) QE MET 46 + H LYS 36 OK 36 100 - 36 - 10491/4.3=6, 8170/4.6=5...(13) HG3 GLN 47 - H LYS 36 lone 6 81 - 8 - 10303/3.9=1 HG2 GLN 47 - H LYS 36 lone 6 81 - 8 - 10303/3.9=1 HG3 GLN 133 - H LYS 36 lone 6 96 - 6 - HG2 GLN 133 - H LYS 36 lone 6 94 - 6 - Peak 10795 from nnoeabs.peaks (2.90, 7.31, 121.11 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.67: HD2 ARG 35 + H ARG 35 OK 44 62 - 70 - 5.4=37, 3.8/6186=17...(8) HB3 ASP 32 + H ARG 35 OK 41 94 - 43 - 9771=12, 1.8/10813=10...(7) HB2 TYR 119 - H ARG 35 lone 5 100 - 5 - 8093/4.6=2 Peak 10796 from nnoeabs.peaks (2.72, 7.31, 121.11 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.52: HB2 PHE 38 + H ARG 35 OK 45 81 - 56 - ~592=11, ~9777=10...(11) HB2 ASN 84 + H ARG 35 OK 13 100 - 13 - 8092/4.6=7, 4.0/6174=5 HB3 MET 46 - H ARG 35 lone 8 100 - 8 - 4.2/8170=2, 8092/4.6=1 HB3 TYR 70 - H ARG 35 lone 8 81 - 10 - ~9801=4, 591/2.8=2 HB3 GLU 120 - H ARG 35 lone 3 92 - 3 - HB3 CYS 121 - H ARG 35 lone 1 92 - 1 - Peak 10797 from nnoeabs.peaks (1.39, 8.89, 117.43 ppm; 4.69 A): 5 out of 8 assignments used, quality = 0.77: HB2 ARG 35 + H LYS 34 OK 42 72 - 59 - 3.6/6174=35, 3.8/8093=26...(7) HG2 LYS 86 + H LYS 34 OK 40 100 - 40 - 4.9/8866=6, 2710/5.8=5...(15) HG LEU 132 + H LYS 34 OK 16 68 - 24 - ~10871=3, ~4511=2...(12) HG2 ARG 49 + H LYS 34 OK 11 98 - 11 - 1.8/6167=1, 11043/2521=1 HB3 LEU 39 + H LYS 34 OK 11 62 - 17 - 3.3/10806=9, ~10872=5 HG LEU 116 - H LYS 34 lone 8 81 - 10 - ~10870=3, 10005/2545=2...(4) HB2 LEU 69 - H LYS 34 lone 4 92 - 4 - HB2 ARG 109 - H LYS 34 lone 3 81 - 4 - Peak 10798 from nnoeabs.peaks (4.63, 8.89, 117.43 ppm; 3.92 A): 3 out of 6 assignments used, quality = 0.79: HA ASP 32 + H LYS 34 OK 69 89 - 77 - 3.8/6162=22, 3.8/6161=17...(16) HA LEU 87 + H LYS 34 OK 22 96 - 23 - 10799/4.1=6, 10519/4.1=3...(9) HA ARG 124 + H LYS 34 OK 14 68 - 21 - 10799/4.1=9, 3.0/6164=2...(6) HG1 THR 110 - H LYS 34 lone 5 85 - 6 - 424/6162=1, 10810/473=1...(4) HA GLN 111 - H LYS 34 lone 5 85 - 6 - HA ASP 16 - H LYS 34 lone 3 92 - 3 - Peak 10803 from nnoeabs.peaks (6.86, 8.89, 117.43 ppm; 6.03 A): 0 out of 2 assignments used, low quality = 0.00: HE22 GLN 47 - H LYS 34 lone 6 62 - 10 - 3.5/6158=4, 3.5/6158=4 HE21 GLN 62 - H LYS 34 lone 2 94 - 2 - Peak 10804 from nnoeabs.peaks (7.05, 8.89, 117.43 ppm; 4.45 A): 0 out of 2 assignments used, low quality = 0.41: QE PHE 67 - H LYS 34 OK 28 99 - 28 - 9796/4.1=19, 9795/5.0=7...(5) HD1 TRP 17 - H LYS 34 OK 18 100 - 18 - 10805/4.1=10...(3) Peak 10806 from nnoeabs.peaks (8.27, 8.89, 117.43 ppm; 5.22 A): 3 out of 4 assignments used, quality = 0.85: H ASP 32 + H LYS 34 OK 57 72 - 79 - 4.8/6162=26...(11) H LEU 39 + H LYS 34 OK 48 100 - 48 - 5.0/8095=26...(5) H GLN 25 + H LYS 34 OK 35 100 - 36 - 3.6/6161=8, 2.9/6161=7...(11) H GLY 143 - H LYS 34 lone 9 98 - 9 - 11626/4.6=2, 7867/473=1 Peak 10811 from nnoeabs.peaks (4.40, 8.26, 125.08 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.82: HA ASP 30 + H ASP 32 OK 61 89 - 68 - 9770=25, 3.6/6149=24...(5) HA PRO 33 + H ASP 32 OK 44 72 - 61 - 3.6/8085=23...(7) HA PRO 57 + H ASP 32 OK 16 77 - 21 - 434/4.8=8, 426/4.8=7 HB THR 18 - H ASP 32 lone 2 68 - 3 - 6142/4.6=1 Peak 10812 from nnoeabs.peaks (4.50, 8.26, 125.08 ppm; 4.12 A): 0 out of 3 assignments used, low quality = 0.30: HA TYR 115 - H ASP 32 OK 20 94 - 22 - 2.9/6153=7, 3834/4.0=4...(5) HA ASP 13 - H ASP 32 OK 13 77 - 16 - ~11053=7, 3.0/6153=3...(5) HA HIS 14 - H ASP 32 lone 3 72 - 5 - 3.0/8087=3 Peak 10814 from nnoeabs.peaks (7.20, 8.26, 125.08 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.65: H LYS 36 + H ASP 32 OK 51 89 - 57 - 4.6/8082=20...(12) QD TYR 27 + H ASP 32 OK 22 99 - 22 - 2.6/8087=6, 2.6/10824=6 HE3 TRP 88 + H ASP 32 OK 10 100 - 10 - 4.2/10824=2, 10079/8091=1 Peak 10815 from nnoeabs.peaks (7.06, 8.26, 125.08 ppm; 5.19 A): 0 out of 3 assignments used, low quality = 0.00: QE PHE 67 - H ASP 32 lone 8 96 - 8 - 10804/10821=2...(3) H MET 68 - H ASP 32 lone 6 94 - 6 - 9801/11165=2, 2.9/3401=1 HD1 TRP 17 - H ASP 32 lone 3 89 - 3 - 10804/10821=1 Peak 10821 from nnoeabs.peaks (8.91, 8.26, 125.08 ppm; 6.15 A): 1 out of 1 assignment used, quality = 0.48: H LYS 34 + H ASP 32 OK 48 62 - 77 - 10820/4.0=25...(10) Peak 10823 from nnoeabs.peaks (7.31, 8.40, 104.72 ppm; 5.09 A): 1 out of 3 assignments used, quality = 0.99: H ASP 30 + H GLY 31 OK 99 99 - 100 - 4.7=100 H ARG 35 - H GLY 31 OK 18 100 - 18 - 11626/4.6=11, 387/3.6=4 QD TYR 115 - H GLY 31 OK 12 96 - 13 - 387/3.6=6, 392/4.4=3 Peak 10824 from nnoeabs.peaks (3.07, 8.26, 125.08 ppm; 4.28 A): 4 out of 8 assignments used, quality = 0.67: HB3 ASP 30 + H ASP 32 OK 53 94 - 56 - 1.8/8087=25, 3.0/9770=19...(4) HB2 TYR 27 + H ASP 32 OK 12 62 - 19 - 1.8/8087=5, 2.6/10814=4...(6) HA TYR 119 + H ASP 32 OK 11 92 - 11 - 3.0/6154=4, 3982/4.0=3, ~413=2 HD3 ARG 49 + H ASP 32 OK 10 99 - 10 - 1.8/8088=2, ~9772=2 HB3 TRP 88 - H ASP 32 lone 6 94 - 6 - 4.2/10814=2, 10641/8091=1 HE2 LYS 86 - H ASP 32 lone 5 85 - 6 - 6144/4.6=2, 398/9770=1 HE3 LYS 86 - H ASP 32 lone 5 81 - 6 - 6144/4.6=2, 398/9770=1 HA2 GLY 78 - H ASP 32 lone 1 96 - 1 - Peak 10827 from nnoeabs.peaks (7.71, 7.31, 109.04 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.77: H GLU 28 + H ASP 30 OK 63 77 - 81 - 3.0/8079=34, 4.7/6129=27...(13) H PHE 106 + H ASP 30 OK 38 72 - 52 - 3.5/8080=40, 10838/3.6=6...(6) HD21 ASN 128 - H ASP 30 lone 6 85 - 7 - 3.4/6137=2, 7607/3.8=2 Peak 10849 from nnoeabs.peaks (3.83, 6.91, 119.95 ppm; 5.42 A): 5 out of 7 assignments used, quality = 0.87: HA GLN 133 + H LEU 29 OK 54 94 - 57 - 9616/4.6=17, 3.6/6115=13...(11) HD2 PRO 118 + H LEU 29 OK 44 100 - 45 - 1.8/10850=12...(9) HB2 SER 100 + H LEU 29 OK 34 98 - 35 - 4.5/10168=30, 9165/4.9=3 HA3 GLY 50 + H LEU 29 OK 15 98 - 15 - 10656/4.6=7, ~8187=4 HA LEU 66 + H LEU 29 OK 11 100 - 11 - 8061/4.6=3...(5) HA ALA 104 - H LEU 29 lone 6 68 - 8 - 7185/10168=2, 8061/4.6=2 HA THR 110 - H LEU 29 lone 2 72 - 3 - Peak 10850 from nnoeabs.peaks (4.05, 6.91, 119.95 ppm; 4.63 A): 4 out of 4 assignments used, quality = 0.74: HA GLN 25 + H LEU 29 OK 44 85 - 52 - 11460/4.7=16...(9) HD3 PRO 118 + H LEU 29 OK 29 77 - 37 - 4.5/9408=9, 1.8/10849=8...(11) HA LYS 24 + H LEU 29 OK 21 94 - 22 - 10859/4.7=7, 8052/4.3=6...(5) HD2 PRO 33 + H LEU 29 OK 16 100 - 16 - 9777/5.2=4, 10851/4.9=3...(6) Peak 10853 from nnoeabs.peaks (7.31, 7.70, 113.85 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.88: H ASP 30 + H GLU 28 OK 82 99 - 83 - 8079/3.0=33, 4.4/6113=28...(14) H ARG 35 + H GLU 28 OK 22 100 - 22 - 6127/4.7=8, 6191/5.0=3...(7) QD TYR 115 + H GLU 28 OK 15 96 - 15 - 6127/4.7=7, 5662/5.0=2...(6) Peak 10856 from nnoeabs.peaks (7.81, 6.91, 119.95 ppm; 5.26 A): 2 out of 3 assignments used, quality = 0.49: H TYR 27 + H LEU 29 OK 40 68 - 59 - 3.1/6113=38...(6) H GLY 94 + H LEU 29 OK 16 96 - 16 - 7100/4.3=2, 4.7/6118=2...(7) H SER 44 - H LEU 29 lone 3 85 - 4 - Peak 10859 from nnoeabs.peaks (4.06, 7.70, 113.85 ppm; 3.97 A): 4 out of 5 assignments used, quality = 0.74: HA GLN 25 + H GLU 28 OK 38 68 - 57 - 11460=20, 8052/4.0=8...(13) HA LEU 26 + H GLU 28 OK 32 68 - 48 - 4.8/11460=14, ~6090=7...(12) HA LYS 24 + H GLU 28 OK 30 100 - 30 - 8053/4.9=6, 11347/3.1=6...(7) HD2 PRO 33 + H GLU 28 OK 11 98 - 11 - 11368/4.7=3, 10850/4.7=2 HD3 PRO 118 - H GLU 28 lone 8 92 - 8 - 10850/4.7=4 Peak 10866 from nnoeabs.peaks (0.94, 7.83, 117.77 ppm; 3.51 A): 0 out of 2 assignments used, low quality = 0.27: HG3 ARG 35 - H LEU 26 OK 27 62 - 44 - 10864/2.9=17...(7) QG2 THR 51 - H LEU 26 poor 9 68 - 14 - 10864/2.9=5, ~8209=3...(4) Peak 10867 from nnoeabs.peaks (0.91, 7.83, 117.77 ppm; 3.44 A): 6 out of 6 assignments used, quality = 0.90: QD2 LEU 29 + H LEU 26 OK 48 100 - 48 - 10851/2.9=9, 2.1/6074=9...(16) QG1 VAL 63 + H LEU 26 OK 44 98 - 46 - 9832/3.9=8, 2.1/8367=7...(14) QG1 VAL 53 + H LEU 26 OK 36 96 - 37 - 8239=12, 8239/3.9=5...(12) QG2 VAL 63 + H LEU 26 OK 24 62 - 38 - 10575/4.8=6, 10544/2.9=6...(12) HB2 LEU 64 + H LEU 26 OK 16 94 - 16 - 3.8/10895=4, 10569/5.0=2...(5) QG2 ILE 91 + H LEU 26 OK 12 62 - 20 - 10940/3.6=4, 2.1/6076=3...(6) Peak 10868 from nnoeabs.peaks (0.60, 7.83, 117.77 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.82: QD1 ILE 56 + H LEU 26 OK 75 99 - 76 - 10595/5.0=27...(12) QD1 LEU 132 + H LEU 26 OK 26 68 - 38 - 10871/2.9=9, 10577/4.8=7...(15) Peak 10869 from nnoeabs.peaks (0.03, 7.83, 117.77 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.85: QD1 LEU 39 + H LEU 26 OK 85 98 - 87 - 10905/3.9=28...(16) Peak 10895 from nnoeabs.peaks (8.28, 7.83, 117.77 ppm; 3.93 A): 3 out of 5 assignments used, quality = 0.83: H GLN 25 + H LEU 26 OK 71 89 - 80 - 4.7=60, 4.0/10916=14...(11) H LEU 64 + H LEU 26 OK 26 94 - 28 - 11709/3.9=7, 4.4/10867=6...(9) H LEU 39 + H LEU 26 OK 20 77 - 25 - 4.3/10869=16...(6) H VAL 71 - H LEU 26 lone 5 68 - 8 - 11709/3.9=2 H GLY 143 - H LEU 26 lone 5 68 - 7 - 10926/3.6=2, 10928/4.6=1 Peak 10916 from nnoeabs.peaks (2.17, 7.83, 117.77 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.84: HB2 GLN 25 + H LEU 26 OK 72 92 - 79 - 4.6=49, 1.8/6075=15...(14) HG2 PRO 129 + H LEU 26 OK 22 100 - 22 - 196/3.6=7, 212/4.6=6...(7) HB3 LYS 86 + H LEU 26 OK 16 96 - 17 - 196/3.6=4, 212/4.6=3...(5) HB3 PRO 57 + H LEU 26 OK 13 89 - 15 - 8265/10868=3, 1.8/6082=3...(6) Peak 10920 from nnoeabs.peaks (8.27, 8.27, 115.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 25 + H GLN 25 OK 100 100 - 100 Peak 10921 from nnoeabs.peaks (7.83, 8.27, 115.70 ppm; 6.25 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 26 + H GLN 25 OK 100 100 - 100 - 4.7=100 H TYR 27 + H GLN 25 OK 72 94 - 77 - ~11460=27, 3.9/10895=22...(12) H TRP 17 - H GLN 25 OK 29 81 - 36 - 11274=17, 11347/3.6=6...(8) H ARG 55 - H GLN 25 OK 26 72 - 36 - 10614=13, 11347/3.6=8...(8) H THR 110 - H GLN 25 OK 17 99 - 17 - 11347/3.6=3, 210/4.0=3...(6) H SER 44 - H GLN 25 OK 16 81 - 20 - 234/4.9=4, 210/4.0=4...(5) H GLY 94 - H GLN 25 poor 7 62 - 12 - 8545/10227=3, 7101/4.6=2 Peak 10922 from nnoeabs.peaks (4.05, 8.27, 115.70 ppm; 5.72 A): 3 out of 3 assignments used, quality = 1.00: * HA GLN 25 + H GLN 25 OK 96 96 - 100 - 2.9=100 HD2 PRO 33 + H GLN 25 OK 93 100 - 93 - 203/4.0=18, 211/4.0=17...(29) HA LYS 24 + H GLN 25 OK 81 81 - 100 - 3.6=100 Peak 10923 from nnoeabs.peaks (2.10, 8.27, 115.70 ppm; 5.24 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 25 + H GLN 25 OK 100 100 - 100 - 4.0=100 HG2 PRO 33 + H GLN 25 OK 78 100 - 79 - 471/2.9=14, 2.3/10922=11...(20) HG3 PRO 33 + H GLN 25 OK 72 92 - 78 - 479/2.9=12, 2.3/10922=11...(20) HB3 LYS 36 - H GLN 25 OK 41 96 - 43 - 3.0/658=9, ~10789=9...(10) HB VAL 53 - H GLN 25 OK 34 100 - 34 - 2.1/10941=5, ~10589=5...(9) HB3 GLU 142 - H GLN 25 OK 28 100 - 27 - 4851=6, 1.8/4844=5...(8) HG2 PRO 118 - H GLN 25 OK 19 85 - 22 - 2.3/10924=3, 197/2.9=3...(10) HB2 GLU 131 - H GLN 25 poor 9 85 - 10 - 6075/4.7=1 Peak 10924 from nnoeabs.peaks (2.40, 8.27, 115.70 ppm; 6.62 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLN 25 + H GLN 25 OK 99 99 - 100 - 4.9=100 QE MET 46 - H GLN 25 OK 23 77 - 30 - 10489/4.0=7, 10485/2.9=5...(9) HB3 PRO 118 - H GLN 25 OK 19 72 - 26 - 215/4.0=4, 199/2.9=3...(8) HG3 GLN 133 - H GLN 25 lone 3 62 - 5 - 9911/10227=1 Reference assignment not found: HG2 GLN 25 - H GLN 25 Peak 10933 from nnoeabs.peaks (7.94, 6.89, 111.59 ppm; 5.29 A): 0 out of 1 assignment used, low quality = 0.21: H ASN 139 - HE21 GLN 25 OK 21 72 - 28 - 10934/1.7=20, 9834/10936=9 Peak 10934 from nnoeabs.peaks (7.92, 7.50, 111.59 ppm; 4.65 A): 0 out of 1 assignment used, low quality = 0.18: H ASN 139 - HE22 GLN 25 OK 18 100 - 18 - 10933/1.7=14, 9834/10935=4 Peak 10935 from nnoeabs.peaks (0.93, 7.50, 111.59 ppm; 3.61 A): 3 out of 4 assignments used, quality = 0.84: QG2 VAL 63 + HE22 GLN 25 OK 62 99 - 63 - 10936/1.7=17, ~9836=13...(14) QG2 ILE 91 + HE22 GLN 25 OK 48 99 - 49 - 10936/1.7=12, 2.1/6069=6...(20) HB2 LEU 108 + HE22 GLN 25 OK 15 100 - 15 - 10936/1.7=4, 10585/3.5=2...(7) HB2 LEU 64 - HE22 GLN 25 poor 8 77 - 11 - 10936/1.7=3, 10937/3.5=1...(4) Peak 10936 from nnoeabs.peaks (0.93, 6.89, 111.59 ppm; 3.69 A): 4 out of 4 assignments used, quality = 0.89: QG2 VAL 63 + HE21 GLN 25 OK 71 99 - 72 - 2.1/9836=19...(15) QG2 ILE 91 + HE21 GLN 25 OK 51 99 - 52 - 10935/1.7=14...(21) HB2 LEU 108 + HE21 GLN 25 OK 15 100 - 15 - 10935/1.7=4, 10585/3.5=2...(6) HB2 LEU 64 + HE21 GLN 25 OK 11 77 - 14 - 10935/1.7=2, 1801/9836=2...(5) Peak 10941 from nnoeabs.peaks (0.90, 8.27, 115.70 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.97: QG1 VAL 63 + H GLN 25 OK 81 100 - 81 - 8361/4.9=35, 9836/6.4=23...(12) QD2 LEU 29 + H GLN 25 OK 70 85 - 82 - 10532/4.9=26, ~9777=25...(13) QG1 VAL 53 + H GLN 25 OK 56 100 - 56 - 8239/4.7=17...(10) QG2 VAL 80 - H GLN 25 OK 15 81 - 19 - 8748/3.6=3, 8875/4.0=2...(8) HB2 LEU 64 - H GLN 25 OK 12 68 - 17 - 8875/4.0=5, 10867/4.7=4...(5) Peak 10942 from nnoeabs.peaks (6.55, 6.55, 109.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 22 + HE22 GLN 22 OK 100 100 - 100 Peak 10954 from nnoeabs.peaks (8.15, 8.35, 119.98 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.94: H HIS 14 + H ASP 13 OK 92 92 - 100 - 4.6=100 H SER 138 + H ASP 13 OK 22 100 - 22 - 117/3.8=6, 112/2.9=6...(5) H THR 107 - H ASP 13 lone 8 99 - 8 - ~9216=2, 117/3.8=2...(4) Peak 10955 from nnoeabs.peaks (7.84, 8.35, 119.98 ppm; 5.03 A): 0 out of 5 assignments used, low quality = 0.00: H TRP 17 - H ASP 13 lone 5 100 - 5 - 6045/3.8=2, 4.6/6012=1 H TYR 119 - H ASP 13 lone 2 62 - 3 - 4.3/6007=2 H ALA 135 - H ASP 13 lone 1 77 - 2 - H ARG 55 - H ASP 13 lone 1 100 - 1 - H LEU 26 - H ASP 13 lone 1 72 - 1 - Peak 10965 from nnoeabs.peaks (8.21, 8.21, 122.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 Peak 10968 from nnoeabs.peaks (8.02, 8.21, 122.93 ppm; 6.50 A): 0 out of 3 assignments used, low quality = 0.35: H ARG 145 - H MET 11 OK 22 89 - 25 - 3.6/10976=19...(3) H ARG 144 - H MET 11 OK 16 68 - 23 - 3.0/10976=20, 4.9/4795=1 H THR 51 - H MET 11 lone 9 100 - 9 - 4.0/10976=6, 4882/10976=1 Peak 10969 from nnoeabs.peaks (4.66, 8.21, 122.93 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 - 100 - 2.9=100 HA GLN 62 - H MET 11 OK 28 100 - 28 - 18/4.0=5, 24/4.0=4...(11) HA ASN 139 - H MET 11 lone 4 68 - 5 - Peak 10970 from nnoeabs.peaks (3.11, 8.21, 122.93 ppm; 5.00 A): 1 out of 6 assignments used, quality = 0.96: HB3 HIS 10 + H MET 11 OK 96 96 - 100 - 4.7=100 HD2 ARG 145 - H MET 11 lone 7 85 - 9 - 6.0/10968=7 HD3 ARG 145 - H MET 11 lone 7 81 - 9 - 6.0/10968=7 HD2 ARG 109 - H MET 11 lone 4 94 - 5 - HA ALA 105 - H MET 11 lone 2 100 - 2 - HB3 ASN 96 - H MET 11 lone 2 98 - 2 - Peak 10971 from nnoeabs.peaks (2.44, 8.21, 122.93 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.99: HG2 MET 11 + H MET 11 OK 99 100 - 99 - 4.9=91, ~36=25...(17) HB3 PRO 33 - H MET 11 OK 36 89 - 41 - 21/4.0=10, 27/4.0=10...(7) HG2 MET 68 - H MET 11 OK 30 72 - 41 - 15/2.9=8, 21/4.0=8...(10) HG3 GLU 131 - H MET 11 lone 7 100 - 6 - 15/2.9=1, 21/4.0=1 HB3 GLU 131 - H MET 11 lone 5 85 - 5 - HG3 GLU 28 - H MET 11 lone 3 81 - 4 - Peak 10972 from nnoeabs.peaks (2.38, 8.21, 122.93 ppm; 4.62 A): 1 out of 7 assignments used, quality = 0.98: HG3 MET 11 + H MET 11 OK 98 100 - 98 - 4.9=81, 36/2.9=33...(14) HG3 GLU 37 - H MET 11 OK 30 94 - 32 - 16/2.9=7, 22/4.0=7...(7) HG2 MET 59 - H MET 11 OK 15 94 - 15 - 16/2.9=3, 22/4.0=3...(7) HG2 GLN 25 - H MET 11 OK 13 81 - 16 - 22/4.0=4, 28/4.0=4...(5) HG3 MET 59 - H MET 11 poor 9 81 - 11 - 16/2.9=2, ~16=2...(5) HB ILE 91 - H MET 11 lone 6 81 - 8 - 46/6.1=2, 22/4.0=1, 16/2.9=1 HG2 MET 46 - H MET 11 lone 4 77 - 5 - 46/6.1=2 Peak 10973 from nnoeabs.peaks (1.96, 8.21, 122.93 ppm; 4.20 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 100 100 - 100 - 4.0=100 HB3 ARG 124 + H MET 11 OK 45 77 - 59 - 3.0/11245=13...(16) HB2 LYS 34 - H MET 11 OK 34 100 - 35 - 14/2.9=9, 20/4.0=8...(10) HB ILE 56 - H MET 11 OK 20 94 - 22 - 17/2.9=5, 23/4.0=4...(7) HB2 LYS 61 - H MET 11 OK 18 98 - 18 - 14/2.9=4, 3.0/10975=4...(6) HB3 PRO 98 - H MET 11 lone 6 81 - 7 - 1.8/10144=2, 14/2.9=1 HB3 GLU 75 - H MET 11 lone 3 68 - 4 - Peak 10974 from nnoeabs.peaks (1.81, 8.21, 122.93 ppm; 3.72 A): 2 out of 8 assignments used, quality = 0.96: * HB2 MET 11 + H MET 11 OK 94 100 - 94 - 4.0=79, 8010/4.8=16...(12) HB2 ARG 124 + H MET 11 OK 32 68 - 48 - 3.0/11245=11, 1.8/4213=6...(15) HB3 MET 68 - H MET 11 OK 24 92 - 26 - 13/2.9=5, 25/4.0=4...(10) HB3 LEU 72 - H MET 11 lone 9 94 - 10 - 13/2.9=3, 25/4.0=2...(4) HB2 ARG 141 - H MET 11 lone 9 92 - 9 - 13/2.9=1, 2.8/4804=1, 4777=1 HB VAL 80 - H MET 11 lone 6 100 - 6 - 13/2.9=1, 37/4.9=1 HD3 LYS 36 - H MET 11 lone 6 96 - 6 - 13/2.9=1 HD3 LYS 86 - H MET 11 lone 2 62 - 3 - Peak 10975 from nnoeabs.peaks (3.61, 8.21, 122.93 ppm; 6.26 A): 2 out of 3 assignments used, quality = 0.69: HA2 GLY 31 + H MET 11 OK 60 96 - 62 - ~10925=27, 8016/6.1=27...(6) HA LYS 61 + H MET 11 OK 23 72 - 32 - 8016/6.1=10, 4.8/10969=9...(6) HA ARG 109 - H MET 11 lone 5 94 - 5 - 5.2/10970=1 Peak 10976 from nnoeabs.peaks (4.35, 8.21, 122.93 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.26: HA ARG 144 - H MET 11 OK 26 81 - 32 - 3.6/10968=18...(3) HB THR 51 - H MET 11 poor 8 72 - 11 - 4.0/10968=7, 1313/10968=1 HA ASP 65 - H MET 11 lone 8 99 - 8 - 1859/4.7=5 HA3 GLY 77 - H MET 11 lone 3 99 - 3 - Peak 10977 from nnoeabs.peaks (3.06, 8.21, 122.93 ppm; 5.11 A): 3 out of 8 assignments used, quality = 0.86: HB2 HIS 10 + H MET 11 OK 81 81 - 100 - 4.7=100 HE3 LYS 34 + H MET 11 OK 13 99 - 14 - 4.6/10973=5, 572/4.0=2...(5) HE2 LYS 34 + H MET 11 OK 12 92 - 14 - 4.6/10973=5, 4/3.6=2...(5) HE3 LYS 86 - H MET 11 lone 4 100 - 4 - HE2 LYS 86 - H MET 11 lone 4 100 - 4 - HB2 TYR 27 - H MET 11 lone 2 100 - 2 - HB3 TRP 88 - H MET 11 lone 2 98 - 2 - HB3 ASP 30 - H MET 11 lone 1 98 - 1 - Peak 10982 from nnoeabs.peaks (6.90, 6.55, 109.64 ppm; 2.90 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 22 + HE22 GLN 22 OK 100 100 - 100 - 1.7=100 HE21 GLN 25 - HE22 GLN 22 lone 6 96 - 6 - 4.4/11284=2, 9813/11290=1 H LEU 29 - HE22 GLN 22 lone 6 81 - 7 - 5.2/11284=3, ~339=2, 4.9/11292=1 HD2 HIS 14 - HE22 GLN 22 lone 5 100 - 5 - 4.7/11295=4 HE21 GLN 111 - HE22 GLN 22 lone 0 68 - 0 - Peak 10983 from nnoeabs.peaks (6.90, 6.90, 109.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 22 + HE21 GLN 22 OK 100 100 - 100 Peak 10984 from nnoeabs.peaks (6.55, 6.90, 109.64 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 22 + HE21 GLN 22 OK 100 100 - 100 - 1.7=100 QE TYR 117 - HE21 GLN 22 lone 6 81 - 8 - 4.5/9408=4, ~4669=1 Peak 10985 from nnoeabs.peaks (7.83, 6.55, 109.64 ppm; 5.84 A): 3 out of 7 assignments used, quality = 0.48: H TYR 27 + HE22 GLN 22 OK 24 98 - 24 - 4.6/11177=17, ~6113=4...(4) H LEU 26 + HE22 GLN 22 OK 23 100 - 23 - 4.6/11284=9, 6078/1.7=8...(5) H TRP 17 + HE22 GLN 22 OK 11 72 - 16 - 4.0/11294=14 H SER 44 - HE22 GLN 22 lone 2 89 - 3 - H THR 110 - HE22 GLN 22 lone 2 100 - 2 - H GLY 94 - HE22 GLN 22 lone 2 72 - 3 - H ARG 55 - HE22 GLN 22 lone 1 62 - 2 - Peak 10987 from nnoeabs.peaks (1.21, 6.65, 109.69 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.76: QG2 THR 107 + HE22 GLN 111 OK 50 77 - 64 - 11588=32, 9254/3.5=20...(5) HG12 ILE 56 + HE22 GLN 111 OK 32 94 - 34 - ~11199=10, 11484/3.5=9...(6) HG13 ILE 56 + HE22 GLN 111 OK 31 92 - 33 - ~11199=10, 11484/3.5=9...(6) HD3 LYS 123 - HE22 GLN 111 lone 4 81 - 5 - 11484/3.5=2 Peak 10988 from nnoeabs.peaks (1.06, 6.65, 109.69 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.38: HG3 LYS 114 - HE22 GLN 111 OK 20 98 - 21 - 9862/11524=10, 10267/5.9=8 HG2 ARG 35 - HE22 GLN 111 OK 14 77 - 18 - 10898=9, 9900/11524=3...(4) QG2 VAL 53 - HE22 GLN 111 OK 11 99 - 11 - 9862/11524=5, 1398/3.5=2 HG13 ILE 91 - HE22 GLN 111 poor 10 85 - 11 - 9862/11524=8 Peak 11022 from nnoeabs.peaks (0.65, 8.97, 125.89 ppm; 5.50 A): 0 out of 1 assignment used, low quality = 0.43: QD1 LEU 126 - H MET 59 OK 43 81 - 53 - 10349=13, 3.1/10347=12...(7) Peak 11024 from nnoeabs.peaks (-1.12, 7.53, 120.51 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 82 + H ILE 91 OK 95 100 - 95 - 9973=36, 11029/4.5=29...(25) Peak 11053 from nnoeabs.peaks (4.64, 8.35, 119.98 ppm; 4.78 A): 0 out of 6 assignments used, low quality = 0.16: HA ASP 32 - H ASP 13 OK 16 98 - 17 - ~10812=7, 412/3.8=3...(5) HA GLN 62 - H ASP 13 lone 4 68 - 6 - 48/6008=1, 3.0/6006=1, ~8006=1 HA GLN 111 - H ASP 13 lone 3 99 - 3 - HA ASN 139 - H ASP 13 lone 3 100 - 3 - 10484/10954=1 HA LEU 87 - H ASP 13 lone 2 92 - 2 - HG1 THR 110 - H ASP 13 lone 1 99 - 1 - Peak 11082 from nnoeabs.peaks (1.96, 7.46, 120.20 ppm; 5.40 A): 4 out of 6 assignments used, quality = 0.66: HB3 ARG 124 + H LEU 126 OK 48 62 - 77 - 4.6/7569=33...(11) HB ILE 56 + H LEU 126 OK 14 99 - 14 - 1456/4.7=5, 10683/5.2=3...(5) HB3 MET 11 + H LEU 126 OK 13 100 - 13 - 25/11083=2, 9495/4.7=2...(6) HB2 LYS 34 + H LEU 126 OK 12 99 - 12 - 9495/4.7=2, 3.4/11083=2...(6) HB2 LYS 61 - H LEU 126 lone 2 100 - 2 - HB3 PRO 98 - H LEU 126 lone 2 92 - 2 - Peak 11083 from nnoeabs.peaks (1.80, 7.46, 120.20 ppm; 4.24 A): 3 out of 9 assignments used, quality = 0.75: HB2 ARG 124 + H LEU 126 OK 64 100 - 64 - 4.6/7569=21, 9482/4.7=15...(10) HD3 LYS 86 + H LEU 126 OK 21 100 - 21 - 1.8/11084=6, 2741/5.2=5...(6) HB VAL 80 + H LEU 126 OK 11 62 - 18 - 2.1/7579=7, ~4272=4...(6) HB3 ARG 145 - H LEU 126 lone 7 81 - 8 - 7561/4.6=2, 2.9/7575=1 HD2 LYS 34 - H LEU 126 lone 6 85 - 7 - 3.4/11082=3, 7561/4.6=2 HD3 LYS 34 - H LEU 126 lone 6 85 - 7 - 3.4/11082=3, 7561/4.6=2 HB2 MET 11 - H LEU 126 lone 5 72 - 8 - 1.8/11082=3, 7561/4.6=2 HB3 LEU 72 - H LEU 126 lone 4 96 - 4 - 7561/4.6=2 HB3 LYS 24 - H LEU 126 lone 3 98 - 3 - Peak 11084 from nnoeabs.peaks (1.69, 7.46, 120.20 ppm; 5.09 A): 4 out of 8 assignments used, quality = 0.51: HD2 LYS 86 + H LEU 126 OK 19 81 - 24 - 1.8/11083=8, 3.0/7577=6...(5) HD2 LYS 93 + H LEU 126 OK 19 77 - 25 - 3.4/7576=11, ~4269=7...(5) HB2 LYS 85 + H LEU 126 OK 16 85 - 19 - ~4269=4, 2584/4.0=3...(7) HB ILE 58 + H LEU 126 OK 11 81 - 14 - 4.4/7580=9, 1560/4.6=4 HB3 LEU 95 - H LEU 126 lone 7 72 - 9 - 3140/4.8=2, 3.1/7579=2...(4) HG LEU 26 - H LEU 126 lone 4 100 - 4 - 10960/4.7=2 HG3 ARG 141 - H LEU 126 lone 3 94 - 3 - 10257/4.7=1 HG LEU 97 - H LEU 126 lone 2 96 - 3 - Peak 11111 from nnoeabs.peaks (0.67, 8.12, 110.38 ppm; 4.39 A): 4 out of 4 assignments used, quality = 0.85: QD2 LEU 66 + H TYR 115 OK 57 100 - 57 - 11113/4.0=14...(14) HB3 LEU 116 + H TYR 115 OK 44 77 - 57 - 3.9/7433=34, 3.2/9369=22...(6) QD2 LEU 39 + H TYR 115 OK 30 100 - 30 - 11497/4.6=11, 8132/4.5=7...(7) QD1 ILE 83 + H TYR 115 OK 14 92 - 15 - 10020/8829=3, 7443/4.6=2...(6) Peak 11112 from nnoeabs.peaks (0.91, 8.12, 110.38 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.95: QG1 VAL 53 + H TYR 115 OK 71 96 - 73 - 8237/6.5=36, 9834/4.5=24...(9) QD2 LEU 29 + H TYR 115 OK 55 100 - 56 - 9356/6.5=15, 378/4.5=13...(9) QG2 ILE 91 + H TYR 115 OK 34 62 - 54 - 3.2/7423=12, ~10213=9...(11) HB2 LEU 64 + H TYR 115 OK 23 94 - 24 - 9356/6.5=11, 1.8/2777=4...(6) QG1 VAL 63 + H TYR 115 OK 22 98 - 22 - 9361/4.5=5, 9356/6.5=4...(6) QG2 VAL 63 - H TYR 115 lone 5 62 - 8 - 2981/7423=1 Peak 11186 from nnoeabs.peaks (0.03, 7.82, 117.34 ppm; 5.79 A): 1 out of 1 assignment used, quality = 0.89: QD1 LEU 39 + H TYR 27 OK 89 98 - 91 - 8046/3.0=49...(13) Peak 11187 from nnoeabs.peaks (0.95, 7.82, 117.34 ppm; 4.22 A): 3 out of 3 assignments used, quality = 0.55: HG3 ARG 35 + H TYR 27 OK 34 68 - 50 - 10864/3.6=20...(8) QD1 LEU 29 + H TYR 27 OK 23 62 - 37 - 8045/3.0=8, ~10834=6...(8) QG2 THR 51 + H TYR 27 OK 12 72 - 17 - 10864/3.6=6, 8045/3.0=5 Peak 11210 from nnoeabs.peaks (3.54, 7.82, 115.84 ppm; 5.20 A): 0 out of 1 assignment used, low quality = 0.00: HD3 PRO 52 - H SER 44 lone 4 100 - 4 - Peak 11213 from nnoeabs.peaks (0.69, 8.76, 116.67 ppm; 5.19 A): 0 out of 2 assignments used, low quality = 0.14: HB3 LEU 116 - H PHE 43 OK 14 81 - 18 - ~10828=9, 11065/4.5=5 QD1 ILE 83 - H PHE 43 poor 10 62 - 16 - 3.1/6327=5, 11065/4.5=4...(5) Peak 11231 from nnoeabs.peaks (0.79, 7.29, 113.07 ppm; 4.78 A): 5 out of 5 assignments used, quality = 0.90: QD1 LEU 79 + H PHE 67 OK 49 96 - 51 - 8443/3.6=10, 9980=10...(12) QD2 LEU 126 + H PHE 67 OK 34 100 - 34 - 11441/4.6=7, 4310/4.4=5...(8) QG2 THR 74 + H PHE 67 OK 33 99 - 33 - 8618/2.8=9, 8443/3.6=6...(9) QD2 LEU 95 + H PHE 67 OK 32 85 - 38 - 8443/3.6=11, 9980=7...(11) QG1 VAL 80 + H PHE 67 OK 31 89 - 35 - 2.1/11232=12...(9) Peak 11232 from nnoeabs.peaks (0.89, 7.29, 113.07 ppm; 4.44 A): 5 out of 5 assignments used, quality = 0.76: QG2 VAL 80 + H PHE 67 OK 35 94 - 37 - 2.1/11234=9, 2.1/11231=6...(11) QG2 ILE 136 + H PHE 67 OK 33 99 - 33 - 10328/3.6=7, 9665/4.3=6...(9) QD1 ILE 101 + H PHE 67 OK 21 100 - 21 - 10171/4.6=4, 11155/3.6=3...(6) QG2 ILE 101 + H PHE 67 OK 20 99 - 20 - 11155/3.6=4, 2.1/8409=2...(6) QD1 LEU 97 + H PHE 67 OK 14 96 - 14 - 11155/3.6=3...(4) Peak 11233 from nnoeabs.peaks (1.05, 7.29, 113.07 ppm; 4.12 A): 3 out of 3 assignments used, quality = 0.64: QG2 VAL 53 + H PHE 67 OK 37 100 - 37 - 8236=13, 2.1/9834=9...(9) HG3 LYS 114 + H PHE 67 OK 36 100 - 36 - 10203=9, 2.9/10201=7...(10) HG13 ILE 91 + H PHE 67 OK 12 96 - 13 - 9862/1921=3, 8111/8406=2 Peak 11234 from nnoeabs.peaks (1.81, 7.29, 113.07 ppm; 4.22 A): 0 out of 9 assignments used, low quality = 0.36: HB VAL 80 - H PHE 67 OK 19 85 - 23 - 2.1/11232=10...(4) HB3 LEU 72 - H PHE 67 OK 12 100 - 12 - 9939/9904=3, 6673/3.6=2 HD3 LYS 36 - H PHE 67 OK 10 68 - 15 - 1.8/6650=4, ~1924=2...(6) HD2 LYS 34 - H PHE 67 poor 10 62 - 15 - 10800/3.6=4, 8099/9867=3...(5) HD3 LYS 86 - H PHE 67 lone 9 94 - 10 - 2741/4.4=3, 3.0/11475=2...(4) HB2 ARG 124 - H PHE 67 lone 9 96 - 10 - 4209/4.4=2, 3.0/6648=2 HD3 LYS 34 - H PHE 67 poor 8 62 - 13 - 10800/3.6=4, 2.9/6654=3...(4) HB2 MET 11 - H PHE 67 lone 6 92 - 7 - 3.0/8401=3 HB3 LYS 24 - H PHE 67 lone 4 85 - 4 - Peak 11235 from nnoeabs.peaks (3.87, 7.31, 121.11 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.84: HA LYS 36 + H ARG 35 OK 84 100 - 84 - 2.8/6191=36, 3.6/6192=30...(12) Peak 11242 from nnoeabs.peaks (0.01, 7.19, 118.11 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 39 + H LYS 36 OK 92 96 - 95 - 8104/2.8=45, 8100/3.6=33...(25) Peak 11245 from nnoeabs.peaks (4.62, 8.21, 122.93 ppm; 3.23 A): 2 out of 4 assignments used, quality = 0.74: * HA HIS 10 + H MET 11 OK 62 77 - 80 - 3.6=74, 9/4.7=11, 6/4.7=11 HA ARG 124 + H MET 11 OK 31 96 - 33 - 4195=6, 3.0/10974=4...(14) HA ASP 16 - H MET 11 lone 2 100 - 2 - HA LEU 87 - H MET 11 lone 1 68 - 1 - Peak 11250 from nnoeabs.peaks (2.76, 9.98, 128.55 ppm; 6.80 A): 0 out of 7 assignments used, low quality = 0.00: HG3 MET 113 - HE1 TRP 17 poor 9 62 - 14 - 3.0/8038=11 HB2 ASN 54 - HE1 TRP 17 lone 6 67 - 9 - ~5508=2, ~4508=2...(4) HB3 ASP 40 - HE1 TRP 17 lone 3 85 - 4 - 11185/5.3=1 HE3 LYS 76 - HE1 TRP 17 lone 3 100 - 3 - HE2 LYS 76 - HE1 TRP 17 lone 3 96 - 3 - HE2 LYS 114 - HE1 TRP 17 lone 3 98 - 3 - HB2 ASP 41 - HE1 TRP 17 lone 2 91 - 2 - Peak 11251 from nnoeabs.peaks (4.32, 9.98, 128.55 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.94: * HA PRO 12 + HE1 TRP 17 OK 90 98 - 92 - 2.3/10949=48...(8) HA TYR 70 + HE1 TRP 17 OK 39 98 - 40 - 9937/11252=13...(8) HA ILE 56 - HE1 TRP 17 lone 7 85 - 9 - 3.0/8039=3 Peak 11255 from nnoeabs.peaks (1.90, 9.19, 124.99 ppm; 6.08 A): 5 out of 10 assignments used, quality = 0.78: HB3 LEU 69 + H ASP 65 OK 41 92 - 45 - ~8386=13, 3.2/9878=13...(7) HB3 LYS 93 + H ASP 65 OK 35 96 - 36 - ~11615=21, ~11040=14...(4) HB3 GLN 111 + H ASP 65 OK 25 100 - 25 - 3.9/7334=8, 1.8/11587=6...(5) QE MET 68 + H ASP 65 OK 14 85 - 17 - 8450/4.0=9, 8455/4.6=3 HB2 LYS 24 + H ASP 65 OK 11 100 - 11 - 10882/4.4=2, 9887/4.0=2 HB3 ARG 141 - H ASP 65 lone 9 89 - 10 - ~10819=3, ~4902=2...(4) HB3 ARG 89 - H ASP 65 lone 7 100 - 7 - ~8385=1, ~8385=1 HB ILE 101 - H ASP 65 lone 6 99 - 6 - HB3 ARG 140 - H ASP 65 lone 4 98 - 4 - HB ILE 136 - H ASP 65 lone 3 62 - 5 - Peak 11256 from nnoeabs.peaks (1.68, 7.49, 118.24 ppm; 4.47 A): 2 out of 10 assignments used, quality = 0.52: HB VAL 71 + H TYR 70 OK 47 68 - 69 - 2.1/8483=40, 3.8/6715=25...(7) HB2 LEU 95 + H TYR 70 OK 10 68 - 15 - 3.1/10943=7, 9893/9923=2 HG LEU 26 - H TYR 70 lone 8 89 - 9 - 2.1/6708=3, ~10562=2...(4) HD3 LYS 48 - H TYR 70 lone 6 94 - 6 - 3.6/6707=2, 3.6/6707=1 HD2 LYS 93 - H TYR 70 lone 5 100 - 5 - HG2 ARG 89 - H TYR 70 lone 5 68 - 7 - 2.8/6706=2, 9893/9923=2 HD2 LYS 48 - H TYR 70 lone 4 68 - 6 - 3.6/6707=2, 3.6/6707=1 HG LEU 97 - H TYR 70 lone 3 99 - 3 - 3214/10778=1 HB2 ARG 145 - H TYR 70 lone 3 81 - 3 - HG3 ARG 141 - H TYR 70 lone 2 100 - 2 - Peak 11257 from nnoeabs.peaks (3.73, 8.00, 116.53 ppm; 6.22 A): 2 out of 3 assignments used, quality = 0.90: HB THR 74 + H VAL 73 OK 74 85 - 87 - 4.7/6769=31, ~6782=18...(17) HA LEU 108 + H VAL 73 OK 61 99 - 62 - 10220/4.0=20...(15) HA THR 107 - H VAL 73 poor 9 68 - 14 - 3510/2156=2, 2987/8996=2...(4) Peak 11259 from nnoeabs.peaks (4.64, 7.82, 114.50 ppm; 5.49 A): 2 out of 5 assignments used, quality = 1.00: * HG1 THR 110 + H THR 110 OK 100 100 - 100 - 5.0=100 HA GLN 111 + H THR 110 OK 59 100 - 59 - 3.6/7317=26...(6) HA ASP 32 - H THR 110 OK 25 100 - 25 - 9293/4.0=10, 7327/3.4=4...(6) HA ASN 139 - H THR 110 OK 19 94 - 20 - 9293/4.0=8, 7327/3.4=4...(5) HA LEU 87 - H THR 110 OK 19 99 - 19 - 9293/4.0=10, 7327/3.4=4 Peak 11274 from nnoeabs.peaks (8.28, 7.84, 121.56 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.27: H GLN 25 - H TRP 17 OK 27 98 - 27 - 4.6/11353=10...(8) H LEU 39 - H TRP 17 lone 9 92 - 9 - 6254/5.9=3, 6263/4.0=2 H LEU 64 - H TRP 17 lone 4 81 - 5 - H GLY 143 - H TRP 17 lone 2 85 - 3 - Peak 11275 from nnoeabs.peaks (4.97, 7.84, 121.56 ppm; 5.78 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11276 from nnoeabs.peaks (8.30, 8.30, 113.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 18 + H THR 18 OK 100 100 - 100 Peak 11278 from nnoeabs.peaks (4.29, 8.30, 113.54 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.99: * HA THR 18 + H THR 18 OK 99 99 - 100 - 3.0=100 HA ARG 89 - H THR 18 lone 10 100 - 10 - 11264/3.9=2, 10851/4.0=2...(4) HA SER 100 - H THR 18 lone 4 89 - 5 - 2.9/10155=1 HA PRO 118 - H THR 18 lone 2 72 - 2 - HA3 GLY 78 - H THR 18 lone 1 68 - 2 - Peak 11279 from nnoeabs.peaks (4.40, 8.30, 113.54 ppm; 5.62 A): 0 out of 3 assignments used, low quality = 0.00: HA PRO 57 - H THR 18 lone 4 85 - 5 - 11243/9845=1 HA ASP 30 - H THR 18 lone 3 81 - 3 - 11268/3.0=2 HA PRO 33 - H THR 18 lone 2 81 - 2 - Reference assignment not found: HB THR 18 - H THR 18 Peak 11281 from nnoeabs.peaks (1.15, 8.30, 113.54 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.96: * QG2 THR 18 + H THR 18 OK 92 92 - 100 - 4.0=100 QG2 THR 92 + H THR 18 OK 47 94 - 50 - 9032/4.6=40, ~2999=3...(5) HG LEU 64 - H THR 18 OK 37 89 - 41 - 11266/3.0=9, 11263/3.9=9...(8) Peak 11282 from nnoeabs.peaks (4.81, 8.30, 113.54 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: HA TRP 17 + H THR 18 OK 100 100 - 100 - 3.6=100 Peak 11283 from nnoeabs.peaks (3.77, 6.55, 109.64 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.13: HA3 GLY 15 - HE22 GLN 22 OK 13 62 - 21 - 1.8/10958=9...(4) HA2 GLY 125 - HE22 GLN 22 lone 1 100 - 1 - Peak 11284 from nnoeabs.peaks (2.16, 6.55, 109.64 ppm; 5.33 A): 3 out of 3 assignments used, quality = 0.66: HG LEU 29 + HE22 GLN 22 OK 43 94 - 46 - 363/1.7=10, ~379=10...(8) HB2 GLN 25 + HE22 GLN 22 OK 26 100 - 26 - 4.6/10985=8, ~11463=4...(7) HG2 PRO 129 + HE22 GLN 22 OK 19 77 - 25 - 9531=10, 2.3/9530=8, 1.8/9532=7 Peak 11285 from nnoeabs.peaks (1.61, 6.55, 109.64 ppm; 6.01 A): 0 out of 11 assignments used, low quality = 0.15: HB2 LEU 87 - HE22 GLN 22 OK 15 100 - 16 - 3.0/11293=9, 9863/11286=3 HG LEU 108 - HE22 GLN 22 lone 9 98 - 9 - 3.0/11292=4, 2.1/9916=1 HB3 LEU 64 - HE22 GLN 22 lone 8 99 - 8 - 1.8/11292=4 HB2 LEU 97 - HE22 GLN 22 lone 7 94 - 8 - 11424/1.7=3, 9863/11286=2 HG3 ARG 49 - HE22 GLN 22 lone 5 100 - 5 - 9863/11286=3 HD2 LYS 24 - HE22 GLN 22 lone 4 57 - 7 - 3.0/11293=4 HG3 ARG 144 - HE22 GLN 22 lone 4 99 - 4 - 9863/11286=2 HG2 ARG 144 - HE22 GLN 22 lone 3 85 - 4 - 9863/11286=1 HG3 LYS 48 - HE22 GLN 22 lone 2 81 - 3 - HG2 ARG 141 - HE22 GLN 22 lone 2 96 - 2 - HG3 LYS 34 - HE22 GLN 22 lone 1 57 - 2 - Peak 11286 from nnoeabs.peaks (0.58, 6.55, 109.64 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.45: * QG2 ILE 58 + HE22 GLN 22 OK 38 100 - 38 - ~9813=13, 11289=12...(5) QD1 LEU 132 + HE22 GLN 22 OK 11 89 - 12 - 10416=6, 2.1/9571=2 QD1 LEU 66 - HE22 GLN 22 lone 3 100 - 3 - QG1 VAL 71 - HE22 GLN 22 lone 2 99 - 2 - Peak 11287 from nnoeabs.peaks (1.99, 8.22, 110.83 ppm; 5.59 A): 2 out of 9 assignments used, quality = 0.92: HB3 GLU 75 + H THR 74 OK 83 85 - 97 - ~2209=31, 2217/3.2=29...(21) HB3 ARG 124 + H THR 74 OK 54 77 - 70 - 1.8/4212=13, 3.9/7557=12...(17) QE MET 113 - H THR 74 OK 21 96 - 22 - 9331/4.4=6, 9329/10413=3...(7) HB2 GLN 111 - H THR 74 OK 20 81 - 24 - 11592/9496=5...(8) QE MET 59 - H THR 74 OK 19 100 - 20 - 10409/9496=3...(7) HB2 GLU 142 - H THR 74 OK 17 100 - 18 - 6796/3.2=4, ~10510=3...(6) HB VAL 63 - H THR 74 OK 10 99 - 10 - 8982/11678=2, 11023/8610=1 HG3 PRO 52 - H THR 74 lone 5 62 - 7 - 11592/9496=1, 11022/8601=1 QE MET 11 - H THR 74 lone 4 57 - 7 - Peak 11288 from nnoeabs.peaks (1.85, 8.22, 110.83 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.99: HB3 LEU 126 + H THR 74 OK 79 81 - 97 - 3.1/9496=48, ~9493=39...(20) HB3 LYS 76 + H THR 74 OK 77 96 - 80 - 4.0/6784=29, 8627/3.2=16...(15) HG LEU 69 + H THR 74 OK 75 92 - 81 - ~9922=39, ~9884=16...(14) HB3 LYS 85 - H THR 74 OK 28 85 - 33 - 3.9/6773=6, 2165/3.6=4...(12) HB2 LYS 93 - H THR 74 OK 21 89 - 24 - 4301/9496=5, 8592/4.4=5...(7) HB3 GLU 28 - H THR 74 OK 12 98 - 12 - 8592/4.4=3, 8597/4.4=2...(4) Peak 11290 from nnoeabs.peaks (0.56, 6.55, 109.64 ppm; 3.94 A): 0 out of 1 assignment used, low quality = 0.41: ! QD1 ILE 58 - HE22 GLN 22 OK 41 100 - 41 - 9813/1.7=20, 9814=13...(6) Peak 11292 from nnoeabs.peaks (0.93, 6.55, 109.64 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.80: QG2 VAL 63 + HE22 GLN 22 OK 43 100 - 43 - 8351/11290=22...(9) QD2 LEU 29 + HE22 GLN 22 OK 41 68 - 61 - 2.1/11284=24, ~379=12...(9) QG2 ILE 91 + HE22 GLN 22 OK 16 100 - 16 - 3.3/8995=4, 11030/9919=3...(5) HB2 LEU 108 + HE22 GLN 22 OK 16 100 - 16 - 3.0/11285=6...(3) HB2 LEU 64 + HE22 GLN 22 OK 15 85 - 18 - 1.8/11285=6...(4) Peak 11293 from nnoeabs.peaks (1.31, 6.55, 109.64 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.33: HG LEU 87 - HE22 GLN 22 OK 18 85 - 21 - 3.0/11285=11...(3) HG LEU 79 - HE22 GLN 22 OK 18 100 - 18 - 2.1/9939=10, ~8719=2 HG12 ILE 83 - HE22 GLN 22 lone 9 96 - 10 - 11152/11286=3, 11152/10416=1 HG2 LYS 85 - HE22 GLN 22 lone 7 85 - 9 - 10042/11284=4, 10416/11286=2 HG3 LYS 24 - HE22 GLN 22 lone 7 94 - 7 - 3.0/11285=3, 10898/11285=1 Peak 11294 from nnoeabs.peaks (3.15, 6.55, 109.64 ppm; 6.22 A): 0 out of 3 assignments used, low quality = 0.00: HB2 TRP 17 - HE22 GLN 22 lone 8 100 - 8 - 4.0/10985=6 HB2 TYR 70 - HE22 GLN 22 lone 6 94 - 6 - ~8491=4 HA LEU 39 - HE22 GLN 22 lone 2 72 - 3 - Peak 11295 from nnoeabs.peaks (4.53, 6.55, 109.64 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.20: HA HIS 14 - HE22 GLN 22 OK 20 85 - 23 - ~133=7, 127/1.7=7...(4) Peak 11297 from nnoeabs.peaks (2.21, 7.31, 109.04 ppm; 4.35 A): 3 out of 6 assignments used, quality = 0.60: HB2 GLU 28 + H ASP 30 OK 42 77 - 54 - 3.0/8079=28, 4.3/6129=23 HG2 GLU 28 + H ASP 30 OK 23 62 - 38 - 3.8/8079=23...(3) HB3 PRO 12 + H ASP 30 OK 11 85 - 13 - 9771=4, 2.3/10665=2...(6) HB2 MET 46 - H ASP 30 poor 9 77 - 12 - 4.2/8170=9, 10704=1 HG2 GLU 75 - H ASP 30 lone 8 89 - 9 - 5.0/6139=2, 8635/4.2=1 HB2 MET 113 - H ASP 30 lone 2 77 - 2 - Peak 11301 from nnoeabs.peaks (3.94, 6.89, 111.59 ppm; 6.80 A): 4 out of 8 assignments used, quality = 0.85: HD3 PRO 129 + HE21 GLN 25 OK 65 100 - 65 - 4362/4.4=13, ~228=13...(12) HA LEU 29 + HE21 GLN 25 OK 30 100 - 30 - 3.7/6060=14, 343/4.4=7...(4) HA LYS 86 + HE21 GLN 25 OK 28 81 - 35 - ~220=6, ~228=6, ~206=5...(9) HA ALA 60 + HE21 GLN 25 OK 15 72 - 20 - ~8328=8, 11302/1.7=4...(4) HA2 GLY 143 - HE21 GLN 25 lone 7 85 - 8 - 11639/4.4=3, 4866/6.4=1 HA3 GLY 94 - HE21 GLN 25 lone 4 72 - 6 - 11302/1.7=1 HA PHE 106 - HE21 GLN 25 lone 3 62 - 5 - 11302/1.7=2 HA LYS 48 - HE21 GLN 25 lone 3 85 - 4 - Peak 11302 from nnoeabs.peaks (3.96, 7.50, 111.59 ppm; 5.62 A): 3 out of 7 assignments used, quality = 0.59: HD3 PRO 129 + HE22 GLN 25 OK 35 68 - 52 - ~228=9, ~220=9...(12) HA LEU 29 + HE22 GLN 25 OK 26 62 - 41 - 4.0/8073=28, 3.7/6067=12...(4) HA ALA 60 + HE22 GLN 25 OK 15 100 - 14 - ~8328=6, ~6555=2...(4) HA PHE 106 - HE22 GLN 25 lone 9 100 - 9 - 3429/11120=2...(3) HA3 GLY 94 - HE22 GLN 25 lone 5 100 - 5 - HA LYS 48 - HE22 GLN 25 lone 3 100 - 3 - HB3 SER 103 - HE22 GLN 25 lone 2 96 - 2 - Peak 11369 from nnoeabs.peaks (1.79, 8.27, 115.70 ppm; 6.80 A): 2 out of 9 assignments used, quality = 0.99: HB3 LYS 24 + H GLN 25 OK 98 98 - 100 - 4.6=100 HD2 LYS 34 + H GLN 25 OK 49 100 - 49 - 10880/4.6=16...(7) HD3 LYS 34 - H GLN 25 OK 43 100 - 43 - 10872/3.6=14...(7) HG LEU 72 - H GLN 25 OK 34 92 - 37 - 2.1/10227=14...(4) HD3 LYS 86 - H GLN 25 OK 23 92 - 25 - ~196=6, 10872/3.6=4...(7) HG2 PRO 57 - H GLN 25 OK 15 89 - 17 - 11318/3.6=7, 10885/4.6=3...(4) HB3 MET 59 - H GLN 25 OK 12 62 - 20 - ~199=5, ~198=4...(6) HB3 ARG 145 - H GLN 25 lone 7 100 - 6 - 10885/4.6=1, 10880/4.6=1 HB2 ARG 124 - H GLN 25 lone 5 89 - 6 - 11323/4.6=1, 10872/3.6=1 Peak 11381 from nnoeabs.peaks (2.95, 6.91, 119.95 ppm; 6.50 A): 9 out of 9 assignments used, quality = 0.91: HB2 TYR 115 + H LEU 29 OK 50 100 - 50 - 4.7/10288=23...(6) HB3 PHE 67 + H LEU 29 OK 34 100 - 34 - 11527/4.6=19...(8) HB2 PHE 106 + H LEU 29 OK 24 100 - 24 - 4.0/6115=7, 3430/4.7=4...(7) HE2 LYS 85 + H LEU 29 OK 21 99 - 22 - 4.8/6118=4, 3.5/6122=4...(5) HE3 LYS 85 + H LEU 29 OK 19 89 - 21 - 4.8/6118=4, 3.5/6122=4...(5) HE2 LYS 93 + H LEU 29 OK 18 100 - 18 - 3.8/6122=3, 5.1/6118=3...(5) HE2 LYS 48 + H LEU 29 OK 13 100 - 13 - 8049/10854=2, 4.9/6118=1 HE3 LYS 93 + H LEU 29 OK 12 72 - 16 - 3.8/6122=3, 5.1/6118=3...(5) HE3 LYS 48 + H LEU 29 OK 12 96 - 12 - 8049/10854=2, 4.9/6118=1 Peak 11383 from nnoeabs.peaks (5.94, 7.31, 109.04 ppm; 5.61 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11387 from nnoeabs.peaks (6.95, 8.30, 122.72 ppm; 6.17 A): 0 out of 2 assignments used, low quality = 0.19: QD PHE 23 - H VAL 71 OK 19 92 - 21 - 8491/3.6=5, 11193/4.0=4...(6) HD21 ASN 139 - H VAL 71 lone 8 100 - 8 - 11543/4.4=2, 9868/6718=1 Peak 11388 from nnoeabs.peaks (7.29, 7.49, 118.24 ppm; 5.70 A): 3 out of 5 assignments used, quality = 0.92: H PHE 67 + H TYR 70 OK 89 100 - 89 - 2.8/1930=40, 6660/4.0=31...(15) HZ2 TRP 17 + H TYR 70 OK 16 89 - 18 - ~11251=5, 6681/4.0=3...(6) QD TYR 115 + H TYR 70 OK 16 77 - 21 - 1913/9906=6, 1922/1930=4...(6) H ASP 30 - H TYR 70 poor 7 68 - 10 - 4.8/8073=4, 8078/6702=1 QE PHE 106 - H TYR 70 lone 6 77 - 7 - 6681/4.0=2, 1922/1930=1 Peak 11394 from nnoeabs.peaks (9.00, 8.42, 109.22 ppm; 6.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11396 from nnoeabs.peaks (6.01, 8.42, 109.22 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11398 from nnoeabs.peaks (7.92, 7.73, 119.01 ppm; 4.72 A): 0 out of 1 assignment used, low quality = 0.30: H ASN 139 - H GLN 62 OK 30 100 - 30 - 3.0/6585=7, 7794/2.9=7...(7) Peak 11409 from nnoeabs.peaks (4.16, 8.12, 116.88 ppm; 5.22 A): 5 out of 11 assignments used, quality = 0.91: HA LYS 76 + H LEU 87 OK 55 96 - 57 - 8652/4.8=17...(7) HA TRP 88 + H LEU 87 OK 50 77 - 65 - 3.0/7008=39, ~7009=21...(9) HA LEU 126 + H LEU 87 OK 32 89 - 36 - 3.0/11673=16, 4.3/6995=8...(8) HA LEU 64 + H LEU 87 OK 27 72 - 38 - 3.0/2777=9, ~2771=5...(9) HA GLU 120 + H LEU 87 OK 14 98 - 14 - 8903/4.4=5, 11408/4.8=2 HB3 SER 44 - H LEU 87 lone 10 100 - 10 - 8903/4.4=3, 11408/4.8=2 HB2 SER 44 - H LEU 87 lone 10 100 - 10 - 8903/4.4=3, 11408/4.8=2 HA PHE 38 - H LEU 87 lone 7 81 - 9 - 7015/4.6=2, 8903/4.4=2 HA3 GLY 125 - H LEU 87 lone 6 99 - 6 - 4283/11673=1, 8903/4.4=1 HA GLU 131 - H LEU 87 lone 3 62 - 5 - 8821/8876=1 HG1 THR 74 - H LEU 87 lone 3 77 - 4 - 7015/4.6=1 Peak 11412 from nnoeabs.peaks (0.35, 8.12, 116.88 ppm; 6.63 A): 1 out of 1 assignment used, quality = 0.66: HG2 LYS 123 + H LEU 87 OK 66 96 - 68 - 10066/4.4=19...(11) Peak 11418 from nnoeabs.peaks (4.57, 6.80, 113.11 ppm; 5.85 A): 0 out of 2 assignments used, low quality = 0.00: HA MET 59 - HD21 ASN 96 lone 5 72 - 8 - 10126/5.5=6 HA ASN 130 - HD21 ASN 96 lone 5 100 - 5 - 10126/5.5=4 Peak 11419 from nnoeabs.peaks (0.77, 7.65, 117.93 ppm; 3.84 A): 3 out of 4 assignments used, quality = 0.63: QD2 LEU 95 + H LEU 97 OK 44 100 - 44 - 4.9/9098=11, 7128/4.6=11...(7) QD1 LEU 79 + H LEU 97 OK 26 94 - 28 - 7128/4.6=6, 10121/4.7=4...(8) QG2 THR 74 + H LEU 97 OK 10 89 - 11 - 7128/4.6=2, 10121/4.7=2...(4) QD2 LEU 72 - H LEU 97 lone 5 72 - 8 - 3.2/11420=2 Peak 11420 from nnoeabs.peaks (1.17, 7.65, 117.93 ppm; 3.69 A): 5 out of 5 assignments used, quality = 0.84: QG2 THR 92 + H LEU 97 OK 56 81 - 68 - 2.1/9099=16...(11) QD1 LEU 26 + H LEU 97 OK 36 68 - 53 - 2.1/10558=20, 10548=18...(10) HG2 LYS 76 + H LEU 97 OK 23 100 - 23 - 10104/4.0=4, 8075/8070=3...(7) QD1 LEU 69 + H LEU 97 OK 19 100 - 19 - 9089/4.6=2, 3.2/11422=2...(6) HB2 LEU 72 + H LEU 97 OK 12 100 - 12 - 9089/4.6=2, 3.2/11419=2...(4) Peak 11421 from nnoeabs.peaks (1.49, 7.65, 117.93 ppm; 4.29 A): 3 out of 5 assignments used, quality = 0.81: HG13 ILE 101 + H LEU 97 OK 68 98 - 69 - 9171/4.8=16...(13) HB3 LEU 29 + H LEU 97 OK 27 92 - 30 - 3.1/8070=19, ~8058=4...(5) HG2 LYS 34 + H LEU 97 OK 19 99 - 19 - 9138/4.8=9, 9135/4.8=7 HD3 LYS 114 - H LEU 97 lone 8 100 - 8 - 382/8070=2, 1.8/11422=1 HB2 GLU 122 - H LEU 97 lone 3 68 - 4 - Peak 11422 from nnoeabs.peaks (1.39, 7.65, 117.93 ppm; 4.79 A): 4 out of 8 assignments used, quality = 0.75: HG2 ARG 49 + H LEU 97 OK 61 96 - 63 - 8195/4.8=20, 1273=15...(10) HB2 LEU 69 + H LEU 97 OK 16 89 - 18 - 3.2/11420=5, 1.8/10127=3 HB2 ARG 35 + H LEU 97 OK 14 77 - 19 - 11042/4.8=8, 2.9/10878=3...(4) HG LEU 132 + H LEU 97 OK 11 62 - 18 - 3.0/7157=3, 1273=3...(6) HG2 LYS 86 - H LEU 97 lone 9 100 - 9 - 11558/11419=2, 1260/1264=1 HB2 ARG 109 - H LEU 97 lone 7 77 - 9 - 3.6/7152=3 HG LEU 116 - H LEU 97 lone 7 85 - 8 - 8195/4.8=3 HD2 LYS 114 - H LEU 97 lone 6 62 - 9 - 1.8/11421=3, 5.9/6470=1 Peak 11423 from nnoeabs.peaks (8.10, 6.80, 113.11 ppm; 5.43 A): 0 out of 1 assignment used, low quality = 0.15: H ASP 16 - HD21 ASN 96 OK 15 100 - 15 - 10124/1.7=14 Peak 11428 from nnoeabs.peaks (6.81, 8.45, 121.14 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.92: HE21 GLN 133 + H ASP 137 OK 92 100 - 93 - 1.7/11429=50...(8) QD PHE 67 - H ASP 137 OK 19 85 - 22 - 9665/4.3=9, 10477/3.2=5...(5) HZ2 TRP 88 - H ASP 137 OK 13 72 - 18 - 9665/4.3=9, 10477/3.2=2...(4) HD21 ASN 96 - H ASP 137 OK 12 94 - 13 - 10477/3.2=4, 7139/3.8=1...(4) Peak 11429 from nnoeabs.peaks (7.79, 8.45, 121.14 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.82: HE22 GLN 133 + H ASP 137 OK 82 100 - 82 - 9607/4.3=28, 5.3/9601=27...(8) Peak 11435 from nnoeabs.peaks (0.51, 8.38, 115.59 ppm; 6.16 A): 1 out of 1 assignment used, quality = 0.65: QD1 LEU 42 + H LEU 116 OK 65 77 - 85 - 10279/3.6=46...(8) Peak 11441 from nnoeabs.peaks (0.79, 7.64, 123.68 ppm; 4.89 A): 5 out of 5 assignments used, quality = 0.95: QD2 LEU 126 + H LEU 66 OK 64 100 - 64 - ~10786=13, ~11154=12...(18) QD1 LEU 79 + H LEU 66 OK 52 92 - 56 - ~11154=11, ~10786=8...(14) QG1 VAL 80 + H LEU 66 OK 41 94 - 44 - 2.1/8380=12, 4.2/6881=8...(12) QD2 LEU 95 + H LEU 66 OK 32 77 - 41 - 8382/4.6=8, 8384/4.6=7...(12) QG2 THR 74 + H LEU 66 OK 29 96 - 30 - 9853/4.4=5, 11231/4.6=5...(7) Peak 11442 from nnoeabs.peaks (0.98, 7.64, 123.68 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.82: HB2 LEU 39 + H LEU 66 OK 56 100 - 56 - 10990/4.5=10, 8392/3.9=8...(19) QD1 LEU 116 + H LEU 66 OK 42 85 - 50 - ~8390=10, 9393/4.5=7...(13) HG12 ILE 136 + H LEU 66 OK 29 81 - 35 - 2.3/8380=6, 8391/3.9=5...(13) Peak 11443 from nnoeabs.peaks (1.07, 7.64, 123.68 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 26 + H LEU 66 OK 78 100 - 78 - 2.1/8379=25...(16) HG2 ARG 35 + H LEU 66 OK 42 100 - 42 - 11466/4.8=8, 11188/3.6=8...(11) Peak 11449 from nnoeabs.peaks (8.99, 8.29, 127.59 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11456 from nnoeabs.peaks (8.01, 7.84, 119.00 ppm; 4.63 A): 0 out of 6 assignments used, low quality = 0.00: H VAL 73 - H ARG 55 lone 8 89 - 9 - 6761/4.0=2...(4) H ARG 145 - H ARG 55 lone 7 100 - 7 - 7892/6.4=2, 7892/6.4=2 H ALA 104 - H ARG 55 lone 5 94 - 6 - 4.6/10614=4 H ARG 140 - H ARG 55 lone 2 77 - 3 - H THR 51 - H ARG 55 lone 2 92 - 2 - H GLN 47 - H ARG 55 lone 1 62 - 1 - Peak 11613 from nnoeabs.peaks (1.55, 8.66, 123.65 ppm; 5.82 A): 2 out of 4 assignments used, quality = 0.96: HG3 ARG 55 + H ILE 56 OK 80 100 - 80 - 3.0/1414=46, 1422/3.6=24...(5) HG2 ARG 55 + H ILE 56 OK 78 98 - 80 - 3.0/1414=46...(5) HB3 LEU 79 - H ILE 56 lone 8 100 - 8 - 2378/5.0=2, 1411/4.4=2 HG2 ARG 109 - H ILE 56 lone 1 68 - 2 - Peak 11625 from nnoeabs.peaks (8.16, 7.31, 121.11 ppm; 4.61 A): 0 out of 2 assignments used, low quality = 0.19: H SER 138 - H ARG 35 OK 19 62 - 30 - 9714=10, 11624/3.6=9...(4) H THR 107 - H ARG 35 lone 8 92 - 9 - 11624/3.6=4, 11627/2.8=3 Peak 11626 from nnoeabs.peaks (8.27, 7.31, 121.11 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.90: H LEU 39 + H ARG 35 OK 63 98 - 64 - 6252/2.8=16...(11) H ASP 32 + H ARG 35 OK 59 98 - 61 - 8082=16, 10821/4.6=14...(10) H GLN 25 + H ARG 35 OK 24 92 - 26 - 10774/4.6=5, 10806/4.6=4...(8) H GLY 143 + H ARG 35 OK 11 100 - 10 - 11165/2.8=2, 10774/4.6=2...(4) H ALA 105 - H ARG 35 lone 5 81 - 6 - 7248/11625=2, 7231/11625=1 Peak 11649 from nnoeabs.peaks (7.55, 7.55, 112.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 54 + HD21 ASN 54 OK 100 100 - 100 Peak 11650 from nnoeabs.peaks (6.84, 7.55, 112.07 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 54 + HD21 ASN 54 OK 100 100 - 100 - 1.7=100 HZ2 TRP 88 - HD21 ASN 54 lone 1 68 - 1 - Peak 11651 from nnoeabs.peaks (6.85, 7.49, 112.07 ppm; 2.65 A): 0 out of 2 assignments used, low quality = 0.00: HE21 GLN 62 - HE21 GLN 47 lone 9 99 - 10 - 6599=6, ~6428=2 HD22 ASN 54 - HE21 GLN 47 lone 0 62 - 0 - Reference assignment not found: HE22 GLN 47 - HE21 GLN 47 Peak 11652 from nnoeabs.peaks (7.55, 6.84, 112.07 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HD22 ASN 54 OK 100 100 - 100 - 1.7=100 H LYS 86 - HD22 ASN 54 lone 4 100 - 4 - ~2670=2 Peak 11653 from nnoeabs.peaks (6.84, 6.84, 112.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 54 + HD22 ASN 54 OK 100 100 - 100 Peak 11654 from nnoeabs.peaks (2.84, 6.84, 112.07 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.97: HB3 ASN 54 + HD22 ASN 54 OK 94 94 - 100 - 3.5=100 HB2 ASP 40 + HD22 ASN 54 OK 45 81 - 55 - 1.8/11656=11, 11647=10...(23) HB2 ASN 139 - HD22 ASN 54 lone 1 62 - 2 - HB2 ASN 130 - HD22 ASN 54 lone 1 62 - 1 - Peak 11655 from nnoeabs.peaks (2.84, 7.55, 112.07 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.77: HB3 ASN 54 + HD21 ASN 54 OK 77 77 - 100 - 3.5=100 Peak 11656 from nnoeabs.peaks (2.75, 6.84, 112.07 ppm; 4.05 A): 2 out of 9 assignments used, quality = 1.00: HB2 ASN 54 + HD22 ASN 54 OK 100 100 - 100 - 3.5=100 HB3 ASP 40 + HD22 ASN 54 OK 61 100 - 61 - 1.8/11654=13, 11648=13...(24) HG3 MET 113 - HD22 ASN 54 OK 11 99 - 11 - 5.2/10247=3, 9327/8718=1...(4) HE2 LYS 114 - HD22 ASN 54 lone 5 96 - 5 - 11657/1.7=1 HB3 PHE 43 - HD22 ASN 54 lone 4 94 - 4 - HE2 LYS 76 - HD22 ASN 54 lone 3 98 - 3 - HE3 LYS 76 - HD22 ASN 54 lone 3 89 - 3 - HB3 ASP 137 - HD22 ASN 54 lone 2 94 - 2 - HB2 ASN 96 - HD22 ASN 54 lone 2 62 - 3 - 9081/9112=1 Peak 11657 from nnoeabs.peaks (2.76, 7.55, 112.07 ppm; 4.03 A): 2 out of 9 assignments used, quality = 0.96: HB2 ASN 54 + HD21 ASN 54 OK 89 89 - 100 - 3.5=100 HB3 ASP 40 + HD21 ASN 54 OK 60 98 - 62 - 11656/1.7=11, 10624=10...(25) HG3 MET 113 - HD21 ASN 54 lone 6 85 - 7 - 11656/1.7=2 HE2 LYS 114 - HD21 ASN 54 lone 5 100 - 5 - HE2 LYS 76 - HD21 ASN 54 lone 3 100 - 3 - HB3 PHE 43 - HD21 ASN 54 lone 3 72 - 4 - HE3 LYS 76 - HD21 ASN 54 lone 3 100 - 3 - HB3 ASP 137 - HD21 ASN 54 lone 1 72 - 2 - HB2 ASP 41 - HD21 ASN 54 lone 0 72 - 1 - Peak 11658 from nnoeabs.peaks (1.88, 6.84, 112.07 ppm; 5.24 A): 0 out of 7 assignments used, low quality = 0.00: HB3 ARG 140 - HD22 ASN 54 lone 4 77 - 5 - ~10447=2, ~10497=1 HB3 ARG 141 - HD22 ASN 54 lone 1 92 - 2 - HB3 LYS 93 - HD22 ASN 54 lone 1 81 - 2 - HB2 LYS 36 - HD22 ASN 54 lone 1 94 - 1 - HB3 LYS 48 - HD22 ASN 54 lone 1 98 - 1 - HB2 ARG 144 - HD22 ASN 54 lone 1 92 - 1 - HB2 LYS 48 - HD22 ASN 54 lone 1 81 - 1 - Peak 11659 from nnoeabs.peaks (1.97, 6.84, 112.07 ppm; 5.06 A): 0 out of 7 assignments used, low quality = 0.00: HB2 LYS 34 - HD22 ASN 54 lone 4 77 - 5 - ~10446=2, 10436/4.3=2 QE MET 59 - HD22 ASN 54 lone 2 68 - 3 - 10107/9112=1 HB3 ARG 124 - HD22 ASN 54 lone 2 100 - 2 - HB VAL 63 - HD22 ASN 54 lone 2 62 - 3 - HB2 GLU 142 - HD22 ASN 54 lone 2 89 - 2 - HB3 GLU 75 - HD22 ASN 54 lone 1 100 - 1 - HB3 MET 11 - HD22 ASN 54 lone 1 72 - 1 - Peak 11660 from nnoeabs.peaks (4.84, 7.55, 112.07 ppm; 5.35 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11661 from nnoeabs.peaks (4.86, 6.84, 112.07 ppm; 4.82 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11671 from nnoeabs.peaks (3.02, 7.31, 121.11 ppm; 4.18 A): 3 out of 3 assignments used, quality = 0.94: HD3 ARG 35 + H ARG 35 OK 78 100 - 79 - 5.4=46, 1.8/10795=20...(11) HE2 LYS 36 + H ARG 35 OK 46 100 - 47 - 6.4/11235=12...(10) HE3 LYS 36 + H ARG 35 OK 46 99 - 46 - 6.4/11235=12...(9) Peak 11672 from nnoeabs.peaks (1.60, 7.55, 117.50 ppm; 4.27 A): 5 out of 13 assignments used, quality = 0.79: HB2 LEU 87 + H LYS 86 OK 50 81 - 61 - 4.0/6990=28, 3.1/8870=17...(8) HB2 LEU 97 + H LYS 86 OK 26 100 - 26 - 1.8/8868=11, 3.2/9103=6...(4) HG3 ARG 49 + H LYS 86 OK 21 85 - 25 - 1.8/6982=7, ~2674=4...(6) HG3 LYS 48 + H LYS 86 OK 19 100 - 19 - 10469/3.6=5, 2.9/6972=3...(7) HB3 LEU 64 + H LYS 86 OK 12 77 - 15 - 3.2/8869=3, 2777/4.7=3...(5) HD2 LYS 61 - H LYS 86 poor 10 81 - 12 - 3.0/8868=5, 3.0/8868=3 HD3 LYS 61 - H LYS 86 poor 10 81 - 12 - 3.0/8868=5, 3.0/8868=3 HG2 ARG 144 - H LYS 86 lone 7 100 - 7 - 4796/3.6=1, 3.0/6972=1 HB2 LEU 79 - H LYS 86 lone 6 89 - 7 - 3.0/6973=6 HG LEU 108 - H LYS 86 lone 6 100 - 6 - ~8873=3 HG3 LYS 36 - H LYS 86 lone 6 81 - 7 - 10671/3.6=1, 3.0/6972=1 HG2 ARG 141 - H LYS 86 lone 5 100 - 5 - HG3 ARG 144 - H LYS 86 lone 4 77 - 6 - 3.0/6972=1 Peak 11673 from nnoeabs.peaks (1.84, 8.12, 116.88 ppm; 4.18 A): 3 out of 4 assignments used, quality = 0.58: HB3 LEU 126 + H LEU 87 OK 30 100 - 30 - 3.0/6995=7, 11144/4.0=5...(11) HB3 LYS 76 + H LEU 87 OK 27 68 - 40 - 8897/4.8=13, 1.8/6995=9...(8) HB2 LYS 93 + H LEU 87 OK 18 100 - 18 - 8897/4.8=5, 11144/4.0=4...(4) HB3 GLU 28 - H LEU 87 lone 4 72 - 6 - 8897/4.8=2, 11144/4.0=2 Peak 11674 from nnoeabs.peaks (1.39, 7.54, 118.45 ppm; 4.27 A): 4 out of 7 assignments used, quality = 0.60: HG2 LYS 86 + H TRP 88 OK 26 100 - 27 - 6994/4.6=10, 2.9/8934=7...(4) HG2 ARG 49 + H TRP 88 OK 23 100 - 23 - 6994/4.6=4, 3.0/7017=4...(8) HB2 ARG 109 + H TRP 88 OK 18 92 - 19 - 3.6/7016=6, 10735/8.8=3...(5) HG LEU 132 + H TRP 88 OK 14 81 - 17 - 2.1/8884=6, 3.0/8934=3...(4) HB3 LEU 39 - H TRP 88 poor 9 77 - 12 - ~8128=2, ~8128=2...(4) HB2 LEU 69 - H TRP 88 lone 8 98 - 8 - 6994/4.6=3, 10066/7.3=2 HG LEU 116 - H TRP 88 lone 6 68 - 8 - ~8929=2, 6994/4.6=1...(4) Peak 11675 from nnoeabs.peaks (1.13, 7.54, 118.45 ppm; 3.84 A): 3 out of 4 assignments used, quality = 0.78: QB ALA 105 + H TRP 88 OK 49 92 - 53 - 9211/4.0=19, 8927/4.0=13...(7) HG LEU 64 + H TRP 88 OK 41 77 - 53 - 10068/3.0=11, 4781/6.2=6...(18) HD2 LYS 123 + H TRP 88 OK 28 96 - 29 - 2.9/8884=5, 8928/4.0=5...(9) QG2 THR 18 - H TRP 88 lone 3 72 - 4 - Peak 11676 from nnoeabs.peaks (3.86, 8.31, 113.66 ppm; 6.44 A): 0 out of 4 assignments used, low quality = 0.17: HB2 SER 127 - H THR 99 OK 17 68 - 25 - 1.8/4328=6, 10119/4.0=6...(6) HA LEU 72 - H THR 99 lone 4 92 - 4 - ~10163=1 HA LYS 36 - H THR 99 lone 3 77 - 4 - 4.9/7166=1 HA MET 68 - H THR 99 lone 3 62 - 4 - Peak 11678 from nnoeabs.peaks (0.33, 8.22, 110.83 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 91 + H THR 74 OK 93 100 - 93 - 8996/3.2=35, 8978/4.4=34...(19) HG2 LYS 123 + H THR 74 OK 48 62 - 77 - 8582/3.6=40, 8586/4.4=15...(16) Peak 11679 from nnoeabs.peaks (0.10, 8.41, 125.14 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 73 + H GLU 75 OK 98 100 - 99 - 6778/3.2=46, 8604/3.6=39...(23) Peak 11680 from nnoeabs.peaks (1.76, 8.41, 125.14 ppm; 4.88 A): 0 out of 7 assignments used, low quality = 0.26: HG LEU 95 - H GLU 75 OK 17 96 - 18 - 2.1/6793=4, ~9066=4...(6) HB ILE 83 - H GLU 75 OK 11 77 - 14 - ~10033=4, ~10027=3, 9996/4.3=2 HG LEU 39 - H GLU 75 lone 7 92 - 8 - 8134/2112=2, 847/3893=1 HB3 ARG 55 - H GLU 75 lone 7 85 - 8 - 3.9/6789=3, 3.9/6789=2 HB3 MET 59 - H GLU 75 lone 5 72 - 6 - 4.8/1648=1, 4.1/6559=1 HB2 PRO 12 - H GLU 75 lone 4 98 - 4 - ~6771=2 HB3 ARG 35 - H GLU 75 lone 2 100 - 2 - Peak 11681 from nnoeabs.peaks (7.49, 7.49, 83.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 49 + HE ARG 49 OK 100 100 - 100 Peak 11682 from nnoeabs.peaks (7.12, 7.49, 83.51 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.71: QE PHE 45 + HE ARG 49 OK 71 98 - 72 - 9804/2.9=35, 9828/2.9=32...(7) Peak 11683 from nnoeabs.peaks (4.28, 7.49, 83.51 ppm; 5.04 A): 5 out of 9 assignments used, quality = 0.95: * HA ARG 49 + HE ARG 49 OK 77 94 - 82 - 6.4=48, 1242/3.9=18...(10) HA3 GLY 78 + HE ARG 49 OK 54 100 - 55 - 1.8/11686=14...(10) HA ARG 140 + HE ARG 49 OK 24 100 - 24 - 4708/5.1=4, 3.8/11688=4...(8) HA PRO 118 + HE ARG 49 OK 22 100 - 22 - 3.8/11687=5, ~11511=3...(7) HA LEU 95 + HE ARG 49 OK 13 92 - 14 - 9061/11147=2, 1293/2.9=2...(7) HA SER 138 - HE ARG 49 poor 7 62 - 11 - 1293/2.9=2, 9718/3.9=2...(6) HB THR 99 - HE ARG 49 lone 5 68 - 7 - 1293/2.9=1, 1257/5.1=1 HA ARG 89 - HE ARG 49 lone 2 68 - 3 - HA THR 18 - HE ARG 49 lone 1 85 - 1 - Peak 11684 from nnoeabs.peaks (4.61, 7.49, 83.51 ppm; 5.56 A): 0 out of 4 assignments used, low quality = 0.36: HA PRO 129 - HE ARG 49 OK 36 96 - 37 - 2.3/11687=11, ~1298=7...(7) HA HIS 10 - HE ARG 49 lone 4 100 - 4 - 5/2.9=1 HA ARG 124 - HE ARG 49 lone 2 99 - 2 - HA ASP 16 - HE ARG 49 lone 1 85 - 1 - Peak 11685 from nnoeabs.peaks (4.94, 7.49, 83.51 ppm; 5.51 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11686 from nnoeabs.peaks (3.08, 7.49, 83.51 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.98: HD3 ARG 49 + HE ARG 49 OK 96 96 - 100 - 2.9=100 HA2 GLY 78 + HE ARG 49 OK 58 99 - 59 - 1.8/11683=9, 1290/2.9=9...(14) HA TYR 119 - HE ARG 49 OK 27 100 - 27 - 9428/11682=7, 1290/2.9=4...(9) Peak 11687 from nnoeabs.peaks (2.09, 7.49, 83.51 ppm; 4.59 A): 6 out of 10 assignments used, quality = 0.78: HB2 PRO 129 + HE ARG 49 OK 37 68 - 55 - 2.3/11684=22, ~11512=6...(21) HG2 GLU 122 + HE ARG 49 OK 25 72 - 35 - ~4064=6, ~4072=6...(12) HG2 PRO 118 + HE ARG 49 OK 24 99 - 24 - ~10983=8, 11552/2.9=5...(6) HB3 GLN 25 + HE ARG 49 OK 17 98 - 18 - 1.8/11461=5, 2.9/201=5...(5) HB3 LYS 36 + HE ARG 49 OK 16 100 - 16 - 676/3.9=5, 678/5.1=3...(6) HG3 PRO 33 + HE ARG 49 OK 10 100 - 10 - 1298/2.9=2 HB2 GLU 131 - HE ARG 49 lone 8 99 - 8 - 4368/11684=1 HG2 PRO 33 - HE ARG 49 lone 7 89 - 8 - 10525/11684=2, ~1298=1 HB3 GLU 142 - HE ARG 49 lone 3 96 - 3 - HB VAL 53 - HE ARG 49 lone 3 94 - 3 - Peak 11688 from nnoeabs.peaks (1.75, 7.49, 83.51 ppm; 5.13 A): 1 out of 7 assignments used, quality = 0.96: HB2 ARG 49 + HE ARG 49 OK 96 96 - 100 - 5.1=100 HB ILE 83 - HE ARG 49 OK 38 96 - 39 - ~10012=10, 3.0/11147=7...(12) HB2 GLU 81 - HE ARG 49 OK 37 92 - 40 - ~10983=8, 1294/2.9=6...(12) HG3 ARG 140 - HE ARG 49 OK 27 94 - 29 - 1294/2.9=4, 1258/5.1=4...(10) HD2 LYS 36 - HE ARG 49 OK 19 62 - 31 - 1285/2.9=5, 1294/2.9=5...(9) HG LEU 95 - HE ARG 49 lone 4 77 - 5 - 4.3/11683=2 HB2 PRO 12 - HE ARG 49 lone 3 72 - 4 - Peak 11689 from nnoeabs.peaks (1.35, 7.49, 83.51 ppm; 5.62 A): 2 out of 3 assignments used, quality = 0.99: HB3 ARG 49 + HE ARG 49 OK 98 98 - 100 - 5.1=100 HD3 LYS 76 + HE ARG 49 OK 50 100 - 50 - 1250/5.1=10, 1295/2.9=10...(8) QB ALA 60 - HE ARG 49 OK 28 85 - 32 - 1286/2.9=8, 1295/2.9=7...(7) Peak 11690 from nnoeabs.peaks (4.64, 7.75, 117.84 ppm; 3.99 A): 2 out of 6 assignments used, quality = 0.54: HA LEU 87 + H GLU 90 OK 43 92 - 47 - 3.6/7024=19, 4.1/8954=11...(9) HA GLN 111 + H GLU 90 OK 19 99 - 19 - 2.9/7033=2, 2.9/7040=2...(8) HA ASN 139 - H GLU 90 lone 7 100 - 7 - 10362/7035=1, 8827/9976=1 HA ASP 32 - H GLU 90 lone 6 98 - 6 - 9783/7039=1 HA GLN 62 - H GLU 90 lone 5 68 - 8 - 3.0/7032=2 HG1 THR 110 - H GLU 90 lone 2 99 - 2 - Peak 11692 from nnoeabs.peaks (4.22, 8.08, 116.13 ppm; 3.22 A): 2 out of 6 assignments used, quality = 0.68: HA LYS 93 + H ASN 96 OK 63 100 - 63 - 10090=30, 3.6/9044=14...(11) HA THR 102 + H ASN 96 OK 14 100 - 14 - 9085/3.0=4, 3.2/9088=2...(5) HA LYS 85 - H ASN 96 poor 9 94 - 10 - 2.9/7126=3, 9085/3.0=2...(4) HA ALA 134 - H ASN 96 lone 6 94 - 6 - 9651/10138=2, 9085/3.0=2 HA ILE 101 - H ASN 96 lone 5 99 - 5 - 9085/3.0=1, 9122/10138=1 HA PHE 45 - H ASN 96 lone 2 100 - 2 - Peak 11693 from nnoeabs.peaks (2.16, 9.19, 121.48 ppm; 4.77 A): 0 out of 2 assignments used, low quality = 0.41: HG LEU 29 - H TYR 112 OK 41 100 - 42 - 2.1/8072=17, ~10840=10...(6) HB2 GLN 25 - H TYR 112 lone 6 96 - 6 - 383/8072=2, 10939/11453=1 Peak 11694 from nnoeabs.peaks (3.37, 8.66, 123.65 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11695 from nnoeabs.peaks (8.43, 8.97, 125.89 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.76: H LYS 61 + H MET 59 OK 76 100 - 76 - 8295/4.3=39, 3.3/8296=27...(11) Peak 11696 from nnoeabs.peaks (8.29, 8.97, 125.89 ppm; 6.65 A): 2 out of 4 assignments used, quality = 0.84: H LEU 64 + H MET 59 OK 76 100 - 76 - 3.6/11450=33...(7) H VAL 71 + H MET 59 OK 34 94 - 36 - 10580/4.3=12...(5) H THR 18 - H MET 59 poor 9 77 - 12 - 11448/3.6=4, 10580/4.3=4 H ASN 128 - H MET 59 poor 8 62 - 13 - 10580/4.3=5, 11448/3.6=4 Peak 11697 from nnoeabs.peaks (7.51, 8.57, 117.31 ppm; 5.00 A): 0 out of 2 assignments used, low quality = 0.25: HE22 GLN 25 - H LEU 72 OK 25 89 - 28 - ~8548=10, 9924/9961=8...(8) HE ARG 49 - H LEU 72 lone 5 62 - 8 - 9924/9961=3, 9907/4.2=2 Peak 11698 from nnoeabs.peaks (3.95, 7.54, 118.45 ppm; 3.67 A): 0 out of 8 assignments used, low quality = 0.18: HA3 GLY 94 - H TRP 88 OK 18 92 - 19 - 3118=5, 3.0/7110=5...(5) HD3 PRO 129 - H TRP 88 lone 9 96 - 9 - 4359/3.6=3, 4747/5.4=1 HA ALA 60 - H TRP 88 lone 6 92 - 6 - 8316/4.6=1 HA LYS 48 - H TRP 88 lone 5 98 - 6 - 4747/5.4=1 HA PHE 106 - H TRP 88 lone 5 85 - 5 - 9232/11675=2, 8915/7.3=1 HA LEU 29 - H TRP 88 lone 3 94 - 3 - 4747/5.4=1 HB3 SER 103 - H TRP 88 lone 1 68 - 2 - HA2 GLY 143 - H TRP 88 lone 1 62 - 2 - Peak 11699 from nnoeabs.peaks (1.93, 7.53, 120.51 ppm; 4.68 A): 4 out of 14 assignments used, quality = 0.92: HB2 ARG 89 + H ILE 91 OK 76 96 - 79 - 2866/3.5=34, ~2874=24...(10) HB ILE 136 + H ILE 91 OK 37 62 - 60 - 3.0/7054=9, ~4636=6...(21) HB2 MET 59 + H ILE 91 OK 33 92 - 35 - ~8963=5, ~8963=5...(9) HG13 ILE 83 + H ILE 91 OK 24 72 - 33 - 3.2/10029=8, ~10658=8...(5) HB3 LEU 132 - H ILE 91 OK 21 100 - 21 - 4487/3.6=4, ~9582=3...(7) HB2 ARG 140 - H ILE 91 OK 20 100 - 20 - 7032/3.5=5, ~7033=3...(7) HB2 PRO 118 - H ILE 91 OK 14 96 - 15 - 2.3/7047=3, ~7031=2...(4) HB3 PRO 52 - H ILE 91 OK 14 85 - 16 - 3.9/7060=6, 7032/3.5=3...(5) HB2 GLN 62 - H ILE 91 OK 11 100 - 11 - 2916/3.6=2, 7032/3.5=2...(4) HB2 LYS 86 - H ILE 91 OK 10 81 - 13 - 4.6/7006=8, 8806/11024=1 HB3 GLU 122 - H ILE 91 poor 9 68 - 14 - 11606/4.5=3, 4.0/7061=2...(7) HG3 PRO 12 - H ILE 91 lone 9 99 - 9 - ~7074=2, 101/3143=1 HG2 PRO 12 - H ILE 91 lone 9 100 - 9 - ~7074=2, ~9014=1, 93/3143=1 HG2 PRO 52 - H ILE 91 poor 9 81 - 10 - 7032/3.5=2, 1.8/7051=2...(5) Peak 11711 from nnoeabs.peaks (2.00, 7.19, 118.11 ppm; 3.64 A): 4 out of 10 assignments used, quality = 0.57: HB2 GLN 111 + H LYS 36 OK 23 99 - 23 - 2.9/10243=21 HB3 GLU 37 + H LYS 36 OK 20 89 - 23 - 4.6/6235=15, 6228/3.9=9 HB2 GLU 37 + H LYS 36 OK 17 77 - 23 - 4.6/6235=15, 6228/3.9=9 QE MET 11 + H LYS 36 OK 16 100 - 16 - 9762/6.7=2, 9762/6.7=2...(8) HG3 PRO 52 - H LYS 36 lone 9 100 - 9 - 2.3/6195=3, 3618/10243=2 HG3 GLU 122 - H LYS 36 lone 6 100 - 6 - QE MET 113 - H LYS 36 lone 3 89 - 4 - HB VAL 63 - H LYS 36 lone 3 81 - 4 - QE MET 59 - H LYS 36 lone 3 77 - 4 - HB3 GLU 90 - H LYS 36 lone 3 99 - 3 - 6228/3.9=1 Peak 11712 from nnoeabs.peaks (1.91, 8.69, 121.53 ppm; 5.23 A): 5 out of 16 assignments used, quality = 0.78: HB2 PRO 118 + H VAL 53 OK 47 89 - 53 - 1.8/9811=10, 2.3/6499=6...(17) HB3 LEU 132 + H VAL 53 OK 37 77 - 48 - 3.6/7657=9, 2.9/6498=6...(13) HB3 LEU 69 + H VAL 53 OK 14 94 - 15 - 9846/3.0=5, ~1385=4, 2026/4.1=4 HB ILE 136 + H VAL 53 OK 14 100 - 14 - 10458/9045=5, ~9667=2...(4) HB3 ARG 89 + H VAL 53 OK 11 77 - 15 - 1.8/6494=3, 2868/3.9=3...(5) HB2 GLN 62 - H VAL 53 poor 9 68 - 13 - 1759/3.9=4, 9846/3.0=3...(4) HG2 PRO 12 - H VAL 53 poor 8 68 - 12 - 1352/3.9=4, 1344/3.6=4...(4) HG3 PRO 12 - H VAL 53 lone 7 81 - 8 - 103/3.9=5, 1.8/6493=2 HB2 MET 59 - H VAL 53 lone 6 94 - 7 - 9846/3.0=1 HG13 ILE 83 - H VAL 53 lone 6 100 - 6 - ~10031=2, ~10010=1 HB3 GLN 111 - H VAL 53 lone 5 68 - 8 - 9846/3.0=3, 3631/3.9=2...(4) HB2 LYS 86 - H VAL 53 lone 3 99 - 3 - ~9840=2 HB2 LYS 24 - H VAL 53 lone 3 77 - 4 - HB2 ARG 140 - H VAL 53 lone 3 62 - 5 - ~9846=2 HB ILE 101 - H VAL 53 lone 3 81 - 3 - QE MET 68 - H VAL 53 lone 2 98 - 2 - Peak 11722 from nnoeabs.peaks (8.34, 6.79, 115.56 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.60: H GLY 78 + H LYS 76 OK 60 100 - 60 - 8669=28, 6834/4.6=23...(8) H ASP 13 - H LYS 76 lone 4 98 - 4 - 6834/4.6=1, 9979/8823=1 Peak 2 from aliabs.peaks (3.75, 3.75, 42.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QA GLY 2 + QA GLY 2 OK 100 100 - 100 Peak 3 from aliabs.peaks (4.58, 4.58, 55.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 4 from aliabs.peaks (3.04, 4.58, 55.86 ppm; 2.94 A): 1 out of 3 assignments used, quality = 0.97: * HB2 HIS 10 + HA HIS 10 OK 97 100 - 97 - 3.0=92, 1.8/5=35...(11) HB3 ASP 65 - HA HIS 10 lone 7 100 - 7 - 4=2, 10/3.0=2 HE2 LYS 34 - HA HIS 10 lone 7 77 - 9 - 4=3, 1.8/4=2, 4774/4.6=2 Peak 5 from aliabs.peaks (3.08, 4.58, 55.86 ppm; 2.99 A): 1 out of 5 assignments used, quality = 0.99: * HB3 HIS 10 + HA HIS 10 OK 99 100 - 99 - 3.0=97, 1.8/6=32...(11) HD3 ARG 49 - HA HIS 10 lone 2 96 - 2 - HA2 GLY 78 - HA HIS 10 lone 1 98 - 1 - HB3 TRP 88 - HA HIS 10 lone 1 81 - 1 - HB3 ASP 30 - HA HIS 10 lone 0 72 - 0 - Peak 6 from aliabs.peaks (4.58, 3.04, 30.34 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.97: * HA HIS 10 + HB2 HIS 10 OK 97 100 - 97 - 3.0=91, 5/1.8=35...(11) HA ASN 130 - HB2 HIS 10 poor 8 72 - 10 - 4775/4.0=7, 9/1.8=2 Peak 7 from aliabs.peaks (3.04, 3.04, 30.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Peak 8 from aliabs.peaks (3.08, 3.04, 30.34 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 1.8=100 HD3 ARG 49 - HB2 HIS 10 lone 1 96 - 1 - HA2 GLY 78 - HB2 HIS 10 lone 0 98 - 0 - HB3 TRP 88 - HB2 HIS 10 lone 0 81 - 0 - HB3 ASP 30 - HB2 HIS 10 lone 0 72 - 0 - Peak 9 from aliabs.peaks (4.58, 3.08, 30.34 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.96: * HA HIS 10 + HB3 HIS 10 OK 96 100 - 96 - 3.0=91, 6/1.8=31...(11) HA ASN 130 - HB3 HIS 10 poor 7 72 - 10 - 4775/4.0=7, 6/1.8=2 Peak 10 from aliabs.peaks (3.04, 3.08, 30.34 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 1.8=100 HB3 ASP 65 - HB3 HIS 10 lone 6 100 - 6 - 10=2, 4/3.0=1 HE2 LYS 34 - HB3 HIS 10 lone 5 77 - 7 - 10=2, 4774/4.0=1...(4) Peak 11 from aliabs.peaks (3.08, 3.08, 30.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 12 from aliabs.peaks (4.67, 4.67, 52.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 Peak 13 from aliabs.peaks (1.82, 4.67, 52.83 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB2 ARG 124 + HA MET 11 OK 55 98 - 56 - 1.8/17=11, 25/3.0=7...(25) HB3 MET 68 - HA MET 11 OK 35 96 - 37 - 2.9/15=5, 25/3.0=5...(17) HB3 LEU 72 - HA MET 11 OK 18 92 - 19 - 25/3.0=2, 37/3.9=2...(7) HD3 LYS 36 - HA MET 11 lone 9 98 - 9 - 37/3.9=1, 43/5.1=1, 25/3.0=1 HB2 LYS 24 - HA MET 11 lone 9 100 - 9 - 11323/3.0=2, 25/3.0=1...(5) HB2 ARG 141 - HA MET 11 lone 8 94 - 8 - 10974/2.9=1 HB VAL 80 - HA MET 11 lone 8 77 - 10 - 37/3.9=1, 25/3.0=1, ~2427=1 Peak 14 from aliabs.peaks (1.96, 4.67, 52.83 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 - HA MET 11 OK 38 100 - 38 - 24=8, 20/3.0=7, 38/3.9=5...(16) HB2 LYS 61 - HA MET 11 OK 16 94 - 17 - 20/3.0=2, 44/5.1=2...(9) HB3 PRO 98 - HA MET 11 lone 4 72 - 6 - HB3 GLU 122 - HA MET 11 lone 4 77 - 5 - HB3 GLU 75 - HA MET 11 lone 1 62 - 2 - Peak 15 from aliabs.peaks (2.44, 4.67, 52.83 ppm; 4.00 A): 2 out of 6 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.9=100 HB3 PRO 33 + HA MET 11 OK 46 96 - 48 - 30=10, 21/3.0=9...(12) HG2 MET 68 - HA MET 11 OK 43 89 - 48 - 30=7, 21/3.0=7, 27/3.0=7...(18) HG3 GLN 47 - HA MET 11 lone 5 62 - 8 - HG2 GLN 47 - HA MET 11 lone 5 62 - 8 - HG3 GLU 28 - HA MET 11 lone 2 62 - 2 - Peak 16 from aliabs.peaks (2.37, 4.67, 52.83 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.98: * HG3 MET 11 + HA MET 11 OK 98 100 - 98 - 3.9=87, 38/3.0=21...(18) HG3 GLU 37 - HA MET 11 OK 27 85 - 32 - 22/3.0=6, 28/3.0=6...(10) HG2 GLN 25 - HA MET 11 OK 16 100 - 16 - 22/3.0=4, 28/3.0=4...(5) HB2 GLN 47 - HA MET 11 lone 4 62 - 5 - Peak 17 from aliabs.peaks (2.00, 4.67, 52.83 ppm; 3.39 A): 4 out of 10 assignments used, quality = 0.94: * QE MET 11 + HA MET 11 OK 80 100 - 80 - 42=32, 44/3.0=20...(13) HB3 ARG 124 + HA MET 11 OK 56 100 - 56 - 29/3.0=9, 23/3.0=8...(23) HB ILE 56 + HA MET 11 OK 24 92 - 26 - 14=5, 29/3.0=4, 23/3.0=4...(12) HB2 GLN 111 + HA MET 11 OK 15 100 - 14 - 29/3.0=3, 23/3.0=3...(7) HB VAL 63 - HA MET 11 poor 10 89 - 11 - 2.1/8366=7, 23/3.0=1...(4) QE MET 59 - HA MET 11 lone 6 72 - 8 - 3.4/16=2, 3.4/16=1 HG3 PRO 52 - HA MET 11 lone 4 98 - 4 - HB3 GLU 90 - HA MET 11 lone 3 89 - 3 - QE MET 113 - HA MET 11 lone 2 89 - 2 - HB2 GLU 142 - HA MET 11 lone 1 77 - 2 - Peak 18 from aliabs.peaks (4.67, 1.82, 32.13 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA GLN 111 - HB2 MET 11 OK 20 68 - 29 - 24/1.8=6, 36/3.0=4...(12) Peak 19 from aliabs.peaks (1.82, 1.82, 32.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 20 from aliabs.peaks (1.96, 1.82, 32.13 ppm; 2.67 A): 1 out of 6 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 1.8=100 HB2 LYS 34 - HB2 MET 11 OK 37 100 - 37 - 25=5, 38/3.0=5, 14/3.0=4...(17) HB2 LYS 61 - HB2 MET 11 OK 13 94 - 13 - 44/4.2=2, 38/3.0=2...(7) HB3 GLU 122 - HB2 MET 11 lone 4 77 - 5 - HB3 PRO 98 - HB2 MET 11 lone 3 72 - 4 - HB3 GLU 75 - HB2 MET 11 lone 2 62 - 3 - Peak 21 from aliabs.peaks (2.44, 1.82, 32.13 ppm; 3.53 A): 3 out of 6 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 33 + HB2 MET 11 OK 60 96 - 63 - 27/1.8=10, 39/3.0=8...(30) HG2 MET 68 + HB2 MET 11 OK 48 89 - 54 - 27/1.8=8, 39/3.0=6...(26) HG3 GLN 47 - HB2 MET 11 lone 5 62 - 8 - HG2 GLN 47 - HB2 MET 11 lone 5 62 - 8 - HG3 GLU 28 - HB2 MET 11 lone 2 62 - 3 - Peak 22 from aliabs.peaks (2.37, 1.82, 32.13 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 - HB2 MET 11 OK 36 85 - 42 - 28/1.8=7, 3.0/23=5...(18) HG2 GLN 25 - HB2 MET 11 OK 25 100 - 25 - 28/1.8=5, 46/4.2=4...(7) HB2 GLN 47 - HB2 MET 11 lone 5 62 - 7 - 28/1.8=1 Peak 23 from aliabs.peaks (2.00, 1.82, 32.13 ppm; 2.86 A): 4 out of 10 assignments used, quality = 0.93: * QE MET 11 + HB2 MET 11 OK 79 100 - 79 - 4.2=33, 44/1.8=23...(18) HB3 ARG 124 + HB2 MET 11 OK 52 100 - 53 - 29/1.8=10, 4215=5...(26) HB ILE 56 + HB2 MET 11 OK 23 92 - 25 - 20=4, 29/1.8=4, 41/3.0=3...(10) HB2 GLN 111 + HB2 MET 11 OK 15 100 - 15 - 29/1.8=3, 2.9/18=3...(6) HB VAL 63 - HB2 MET 11 lone 7 89 - 8 - ~8366=2, 29/1.8=1, ~8361=1 QE MET 59 - HB2 MET 11 lone 5 72 - 6 - 3.4/22=1 HG3 PRO 52 - HB2 MET 11 lone 3 98 - 3 - HB3 GLU 90 - HB2 MET 11 lone 2 89 - 3 - QE MET 113 - HB2 MET 11 lone 2 89 - 2 - HB2 GLU 142 - HB2 MET 11 lone 1 77 - 2 - Peak 24 from aliabs.peaks (4.67, 1.96, 32.13 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA GLN 111 - HB3 MET 11 OK 19 68 - 28 - 18/1.8=6, 36/3.0=4...(11) Peak 25 from aliabs.peaks (1.82, 1.96, 32.13 ppm; 2.70 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 1.8=100 HB2 ARG 124 - HB3 MET 11 OK 45 98 - 46 - 1.8/29=9, ~23=4, 4207=4...(21) HB3 MET 68 - HB3 MET 11 OK 31 96 - 32 - 2.9/27=3, 37/3.0=3...(14) HB3 LEU 72 - HB3 MET 11 OK 13 92 - 14 - 37/3.0=1, 13/3.0=1...(4) HB2 LYS 24 - HB3 MET 11 lone 8 100 - 8 - 11323/1.8=1 HB VAL 80 - HB3 MET 11 lone 7 77 - 9 - HD3 LYS 36 - HB3 MET 11 lone 7 98 - 7 - HB2 ARG 141 - HB3 MET 11 lone 5 94 - 5 - Peak 26 from aliabs.peaks (1.96, 1.96, 32.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 27 from aliabs.peaks (2.44, 1.96, 32.13 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 33 + HB3 MET 11 OK 59 96 - 62 - 21/1.8=10, 39/3.0=8...(29) HG2 MET 68 + HB3 MET 11 OK 47 89 - 54 - 21/1.8=8, 39/3.0=6...(26) HG3 GLN 47 - HB3 MET 11 lone 6 62 - 9 - HG2 GLN 47 - HB3 MET 11 lone 6 62 - 9 - HG3 GLU 28 - HB3 MET 11 lone 2 62 - 3 - Peak 28 from aliabs.peaks (2.37, 1.96, 32.13 ppm; 3.10 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 - HB3 MET 11 OK 27 85 - 32 - 22/1.8=6, 16/3.0=4...(13) HG2 GLN 25 - HB3 MET 11 OK 19 100 - 19 - 22/1.8=4, 46/4.2=3...(7) HB2 GLN 47 - HB3 MET 11 lone 4 62 - 6 - Peak 29 from aliabs.peaks (2.00, 1.96, 32.13 ppm; 2.57 A): 4 out of 10 assignments used, quality = 0.84: * QE MET 11 + HB3 MET 11 OK 66 100 - 66 - 44=30, 23/1.8=13...(14) HB3 ARG 124 + HB3 MET 11 OK 38 100 - 39 - 23/1.8=7, 1.8/25=6...(16) HB ILE 56 + HB3 MET 11 OK 17 92 - 18 - 23/1.8=3, 2.1/1459=3...(7) HB2 GLN 111 + HB3 MET 11 OK 12 100 - 12 - 23/1.8=2, 2.9/24=2...(6) HB VAL 63 - HB3 MET 11 lone 5 89 - 6 - ~8366=2, 23/1.8=1 QE MET 59 - HB3 MET 11 lone 3 72 - 5 - HG3 PRO 52 - HB3 MET 11 lone 2 98 - 2 - HB3 GLU 90 - HB3 MET 11 lone 2 89 - 2 - QE MET 113 - HB3 MET 11 lone 1 89 - 2 - HB2 GLU 142 - HB3 MET 11 lone 1 77 - 1 - Peak 30 from aliabs.peaks (4.67, 2.44, 31.69 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.9=100 HA MET 11 - HB3 PRO 33 OK 40 85 - 47 - 15=10, 3.0/21=9...(12) HA MET 11 - HG2 MET 68 OK 29 62 - 48 - 15=10, 3.0/21=7...(17) HA GLN 111 - HG2 MET 11 OK 21 68 - 31 - 36/1.8=6, 18/3.0=5...(10) HA GLN 111 - HB3 PRO 33 poor 5 51 - 11 - 422/3.0=2, 424/3.0=2, ~7325=1 HA GLN 111 - HG2 MET 68 lone 2 34 - 5 - Peak 31 from aliabs.peaks (1.82, 2.44, 31.69 ppm; 2.97 A): 2 out of 24 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 99 100 - 99 - 3.0=98, ~38=12...(27) HB3 MET 68 + HG2 MET 68 OK 56 56 - 100 - 2.9=100 HB2 MET 11 - HB3 PRO 33 OK 43 85 - 50 - 21=9, 1.8/27=7, 3.0/39=6...(25) HB2 ARG 124 - HG2 MET 11 OK 42 98 - 43 - 37/1.8=6, 25/3.0=5...(20) HB3 MET 68 - HG2 MET 11 OK 36 96 - 37 - 37/1.8=5, 25/3.0=4...(19) HB3 LEU 72 - HG2 MET 68 OK 33 51 - 65 - ~9912=9, ~9945=7...(34) HB3 MET 68 - HB3 PRO 33 OK 31 78 - 40 - 2.9/1987=5, 1.8/1963=4...(22) HB2 LYS 24 - HB3 PRO 33 OK 26 85 - 30 - 3.0/11372=5, 10877/3.0=4...(15) HB2 MET 11 - HG2 MET 68 OK 26 62 - 42 - 21=7, 1.8/27=6, 3.0/39=4...(19) HD3 LYS 36 - HB3 PRO 33 OK 22 80 - 27 - 719/2.3=4, 719/2.3=4...(13) HB2 ARG 141 - HG2 MET 68 OK 19 54 - 36 - 1972/1.8=6, 1962/2.9=4...(18) HB3 LEU 72 - HG2 MET 11 OK 15 92 - 17 - 37/1.8=3, 25/3.0=2...(5) HB VAL 80 - HG2 MET 68 OK 11 40 - 27 - 1972/1.8=3, 2.1/8428=2...(15) HD3 LYS 36 - HG2 MET 68 poor 10 57 - 17 - 1986/1.8=2, 1962/2.9=2...(5) HD3 LYS 36 - HG2 MET 11 lone 9 98 - 10 - 37/1.8=1, 43/3.3=1, ~9762=1 HB2 LYS 24 - HG2 MET 11 lone 9 100 - 9 - 37/1.8=1, 43/3.3=1...(4) HB VAL 80 - HG2 MET 11 poor 8 77 - 10 - 37/1.8=1, 2.1/8750=1, 2.1/9990=1 HB2 ARG 141 - HG2 MET 11 lone 6 94 - 6 - HB2 LYS 24 - HG2 MET 68 lone 6 61 - 9 - 1989/1.8=1, 3.0/10894=1 HB2 ARG 124 - HG2 MET 68 poor 6 57 - 10 - 4208/2.9=1 HB2 ARG 124 - HB3 PRO 33 lone 5 80 - 7 - HB3 LEU 72 - HB3 PRO 33 lone 3 73 - 4 - HB VAL 80 - HB3 PRO 33 lone 3 59 - 5 - HB2 ARG 141 - HB3 PRO 33 lone 2 76 - 3 - Peak 32 from aliabs.peaks (1.96, 2.44, 31.69 ppm; 3.19 A): 4 out of 18 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 + HB3 PRO 33 OK 73 85 - 86 - 6164/4.3=11, 496/1.8=9...(53) HB3 MET 11 + HB3 PRO 33 OK 48 85 - 56 - 27=10, 1.8/21=8...(26) HB2 LYS 34 + HG2 MET 11 OK 46 100 - 46 - 38/1.8=9, 20/3.0=7, 27=5...(18) HB3 MET 11 - HG2 MET 68 OK 30 62 - 48 - 27=8, 1.8/21=6, 3.0/39=5...(23) HB2 LYS 61 - HG2 MET 11 OK 19 94 - 20 - 44/3.3=5, 38/1.8=4...(7) HB3 PRO 98 - HB3 PRO 33 OK 12 55 - 21 - 6164/4.3=2, 2.3/459=2...(7) HB3 GLU 122 - HB3 PRO 33 OK 11 59 - 18 - ~10997=2, ~10994=2...(6) HB2 LYS 61 - HB3 PRO 33 poor 8 76 - 11 - 1663/2.3=1 HB3 GLU 122 - HG2 MET 11 lone 6 77 - 8 - 38/1.8=1 HB2 LYS 34 - HG2 MET 68 lone 5 61 - 8 - 4.1/6158=2 HB3 PRO 98 - HG2 MET 11 lone 5 72 - 6 - 38/1.8=1 HB3 GLU 75 - HG2 MET 11 lone 2 62 - 4 - HB3 GLU 75 - HG2 MET 68 lone 2 31 - 7 - ~8421=3, 2216/3.7=2, ~8421=1 HB2 LYS 61 - HG2 MET 68 lone 1 54 - 2 - HB3 GLU 122 - HG2 MET 68 lone 1 40 - 2 - HB3 GLU 75 - HB3 PRO 33 lone 0 47 - 1 - HB3 PRO 98 - HG2 MET 68 lone 0 37 - 1 - Peak 33 from aliabs.peaks (2.44, 2.44, 31.69 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 HB3 PRO 33 + HB3 PRO 33 OK 78 78 - 100 HG2 MET 68 + HG2 MET 68 OK 49 49 - 100 Peak 34 from aliabs.peaks (2.37, 2.44, 31.69 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 HG3 MET 11 - HB3 PRO 33 OK 38 85 - 45 - 39=12, 3.0/21=4...(21) HG2 GLN 25 - HB3 PRO 33 OK 31 85 - 36 - 219/3.0=5, 221/2.3=4...(14) HG3 MET 11 - HG2 MET 68 OK 20 62 - 33 - 39=8, 3.0/27=3, 3.0/21=3...(11) HG3 GLU 37 - HG2 MET 11 OK 18 85 - 21 - 22/3.0=3, 28/3.0=3...(9) HG2 GLN 25 - HG2 MET 11 OK 16 100 - 16 - 46/3.3=3, ~230=2...(8) HB2 GLN 47 - HB3 PRO 33 poor 5 47 - 11 - 10678/1.8=1 HG3 GLU 37 - HB3 PRO 33 lone 2 67 - 3 - HB2 GLN 47 - HG2 MET 11 lone 2 62 - 2 - HG2 GLN 25 - HG2 MET 68 lone 1 61 - 2 - HB2 GLN 47 - HG2 MET 68 lone 1 31 - 3 - HG3 GLU 37 - HG2 MET 68 lone 1 46 - 1 - Peak 35 from aliabs.peaks (2.00, 2.44, 31.69 ppm; 3.00 A): 2 out of 30 assignments used, quality = 0.94: * QE MET 11 + HG2 MET 11 OK 89 100 - 89 - 3.3=72, 46/1.8=22...(15) HB3 ARG 124 + HG2 MET 11 OK 48 100 - 49 - 41/1.8=7, 29/3.0=7...(21) QE MET 11 - HB3 PRO 33 OK 33 85 - 39 - 45=8, 3.3/39=6, 4.2/21=4...(16) HG3 PRO 52 - HB3 PRO 33 OK 31 80 - 39 - 3.8/464=3, 2.3/459=3...(29) HB ILE 56 - HG2 MET 11 OK 23 92 - 25 - 38/1.8=4, ~9186=4...(8) QE MET 11 - HG2 MET 68 OK 18 62 - 29 - 45=6, 3.3/39=4, 43/2.9=3...(9) HB2 GLN 111 - HG2 MET 11 OK 18 100 - 18 - 41/1.8=3, 29/3.0=2...(8) HB2 GLU 142 - HB3 PRO 33 poor 9 59 - 15 - 4841/2.3=2, 4841/2.3=1 HB VAL 63 - HG2 MET 11 lone 8 89 - 9 - ~8361=2, 41/1.8=2 HB3 ARG 124 - HB3 PRO 33 lone 7 84 - 8 - HB3 ARG 124 - HG2 MET 68 poor 6 61 - 11 - 4217/2.9=1 HB VAL 63 - HB3 PRO 33 lone 6 70 - 8 - 8363/2.3=3, ~11303=1 HG3 PRO 52 - HG2 MET 11 lone 5 98 - 5 - QE MET 59 - HG2 MET 11 lone 5 72 - 6 - 41/1.8=1 HB VAL 63 - HG2 MET 68 lone 5 49 - 9 - ~10992=4, ~9870=1...(4) HB2 GLN 111 - HB3 PRO 33 lone 4 85 - 5 - HB3 GLU 90 - HB3 PRO 33 lone 3 70 - 5 - HB3 GLU 90 - HG2 MET 11 lone 3 89 - 3 - HB ILE 56 - HB3 PRO 33 lone 2 73 - 3 - QE MET 113 - HG2 MET 11 lone 2 89 - 2 - HB2 GLN 111 - HG2 MET 68 lone 2 61 - 3 - HB2 GLU 142 - HG2 MET 11 lone 1 77 - 2 - QE MET 113 - HG2 MET 68 lone 1 49 - 3 - QE MET 59 - HG2 MET 68 lone 1 37 - 4 - 10402/3.7=2 HB ILE 56 - HG2 MET 68 lone 1 51 - 2 - HG3 PRO 52 - HG2 MET 68 lone 1 57 - 1 - QE MET 113 - HB3 PRO 33 lone 1 70 - 1 - QE MET 59 - HB3 PRO 33 lone 1 55 - 1 - HB2 GLU 142 - HG2 MET 68 lone 0 40 - 1 - HB3 GLU 90 - HG2 MET 68 lone 0 49 - 1 - Peak 36 from aliabs.peaks (4.67, 2.37, 31.69 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.99: * HA MET 11 + HG3 MET 11 OK 99 100 - 99 - 3.9=94, 3.0/38=22...(18) HA GLN 111 - HG3 MET 11 OK 19 68 - 28 - 18/3.0=5, 24/3.0=5...(10) Peak 37 from aliabs.peaks (1.82, 2.37, 31.69 ppm; 3.22 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 HB2 ARG 124 + HG3 MET 11 OK 47 98 - 48 - 1.8/41=8, 25/3.0=6...(20) HB3 MET 68 - HG3 MET 11 OK 41 96 - 43 - 2.9/39=5, 31/1.8=4...(23) HB3 LEU 72 - HG3 MET 11 OK 18 92 - 20 - 31/1.8=2, 25/3.0=2...(6) HB2 LYS 24 - HG3 MET 11 OK 12 100 - 12 - 43/3.3=2, 11323/3.0=1...(4) HD3 LYS 36 - HG3 MET 11 OK 11 98 - 11 - 43/3.3=2, ~9762=2, 31/1.8=1 HB VAL 80 - HG3 MET 11 poor 9 77 - 11 - ~9990=2, ~8750=1, 31/1.8=1 HB2 ARG 141 - HG3 MET 11 lone 6 94 - 6 - Peak 38 from aliabs.peaks (1.96, 2.37, 31.69 ppm; 2.86 A): 1 out of 6 assignments used, quality = 0.96: * HB3 MET 11 + HG3 MET 11 OK 96 100 - 96 - 3.0=88, 3.0/36=13...(23) HB2 LYS 34 - HG3 MET 11 OK 38 100 - 38 - 28=6, 20/3.0=5, 32/1.8=4...(15) HB2 LYS 61 - HG3 MET 11 OK 15 94 - 16 - 44/3.3=4, 20/3.0=2...(5) HB3 GLU 122 - HG3 MET 11 lone 5 77 - 6 - HB3 PRO 98 - HG3 MET 11 lone 4 72 - 5 - HB3 GLU 75 - HG3 MET 11 lone 2 62 - 3 - Peak 39 from aliabs.peaks (2.44, 2.37, 31.69 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 1.8=100 HB3 PRO 33 - HG3 MET 11 OK 41 96 - 42 - 34=8, 21/3.0=4, 27/3.0=3...(21) HG2 MET 68 - HG3 MET 11 OK 27 89 - 30 - 34=4, 27/3.0=3, 21/3.0=3...(11) HG3 GLN 47 - HG3 MET 11 lone 2 62 - 3 - HG2 GLN 47 - HG3 MET 11 lone 2 62 - 3 - HG3 GLU 28 - HG3 MET 11 lone 1 62 - 2 - Peak 40 from aliabs.peaks (2.37, 2.37, 31.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 41 from aliabs.peaks (2.00, 2.37, 31.69 ppm; 3.05 A): 2 out of 10 assignments used, quality = 0.95: * QE MET 11 + HG3 MET 11 OK 91 100 - 91 - 3.3=76, 44/3.0=17...(16) HB3 ARG 124 + HG3 MET 11 OK 50 100 - 50 - 29/3.0=7, 23/3.0=7...(21) HB ILE 56 - HG3 MET 11 OK 28 92 - 30 - 2.1/9186=6, 38=6...(8) HB2 GLN 111 - HG3 MET 11 OK 20 100 - 19 - 2.9/36=3, 35/1.8=2...(9) HB VAL 63 - HG3 MET 11 poor 10 89 - 11 - 2.1/8361=3, 29/3.0=1, 23/3.0=1 QE MET 59 - HG3 MET 11 lone 7 72 - 9 - HG3 PRO 52 - HG3 MET 11 lone 6 98 - 6 - HB3 GLU 90 - HG3 MET 11 lone 4 89 - 5 - QE MET 113 - HG3 MET 11 lone 3 89 - 3 - HB2 GLU 142 - HG3 MET 11 lone 2 77 - 3 - Peak 42 from aliabs.peaks (4.67, 2.00, 16.84 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.89: * HA MET 11 + QE MET 11 OK 86 100 - 86 - 5.1=39, 3.0/44=23...(13) HA GLN 111 + QE MET 11 OK 19 68 - 27 - 36/3.3=4, 18/4.2=3...(10) Peak 43 from aliabs.peaks (1.82, 2.00, 16.84 ppm; 2.87 A): 5 out of 8 assignments used, quality = 0.90: * HB2 MET 11 + QE MET 11 OK 79 100 - 79 - 4.2=33, 1.8/44=23...(18) HB2 ARG 124 + QE MET 11 OK 28 98 - 29 - 1.8/44=5, 37/3.3=3...(15) HB3 MET 68 + QE MET 11 OK 20 96 - 21 - 2.9/45=3, 37/3.3=3...(7) HD3 LYS 36 + QE MET 11 OK 11 98 - 11 - 3.0/9762=3, 3.0/9762=3 HB2 LYS 24 + QE MET 11 OK 10 100 - 10 - 3.0/10599=2 HB3 LEU 72 - QE MET 11 lone 8 92 - 9 - 37/3.3=2, 31/3.3=1 HB2 ARG 141 - QE MET 11 lone 4 94 - 5 - 2.8/10598=1 HB VAL 80 - QE MET 11 lone 4 77 - 5 - Peak 44 from aliabs.peaks (1.96, 2.00, 16.84 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.72: * HB3 MET 11 + QE MET 11 OK 60 100 - 60 - 4.2=22, 1.8/23=12...(14) HB2 LYS 61 + QE MET 11 OK 17 94 - 18 - 3.0/8016=3, 3.6/10598=3...(7) HB2 LYS 34 + QE MET 11 OK 15 100 - 15 - 38/3.3=3, 29=3, 20/4.2=2...(5) HB3 GLU 122 - QE MET 11 lone 3 77 - 4 - HB3 PRO 98 - QE MET 11 lone 2 72 - 3 - HB3 GLU 75 - QE MET 11 lone 1 62 - 2 - Peak 45 from aliabs.peaks (2.44, 2.00, 16.84 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HG2 MET 11 + QE MET 11 OK 100 100 - 100 - 3.3=100 HB3 PRO 33 - QE MET 11 OK 45 96 - 47 - 39/3.3=7, 35=5, 21/4.2=5...(22) HG2 MET 68 - QE MET 11 OK 31 89 - 35 - 39/3.3=5, 2.9/43=4...(14) HG3 GLN 47 - QE MET 11 lone 4 62 - 5 - 3.5/8180=1 HG2 GLN 47 - QE MET 11 lone 4 62 - 5 - 3.5/8180=1 HG3 GLU 28 - QE MET 11 lone 3 62 - 4 - Peak 46 from aliabs.peaks (2.37, 2.00, 16.84 ppm; 2.97 A): 3 out of 4 assignments used, quality = 0.93: * HG3 MET 11 + QE MET 11 OK 88 100 - 88 - 3.3=70, 3.0/44=16...(16) HG2 GLN 25 + QE MET 11 OK 24 100 - 24 - 2.9/10664=9, 22/4.2=2...(9) HG3 GLU 37 + QE MET 11 OK 19 85 - 22 - 22/4.2=3, 28/4.2=3...(8) HB2 GLN 47 - QE MET 11 lone 3 62 - 4 - Peak 47 from aliabs.peaks (2.00, 2.00, 16.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 48 from aliabs.peaks (4.67, 3.58, 50.34 ppm; 3.21 A): 1 out of 2 assignments used, quality = 0.93: * HA MET 11 + HD2 PRO 12 OK 93 100 - 93 - 3.8=61, 51/1.8=36...(13) HA GLN 111 - HD2 PRO 12 poor 7 68 - 10 - 50/1.8=2, 18/4.8=2...(4) Peak 49 from aliabs.peaks (3.58, 4.67, 52.83 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.93: * HD2 PRO 12 + HA MET 11 OK 93 100 - 93 - 3.8=61, 1.8/51=35...(13) Peak 50 from aliabs.peaks (4.67, 3.64, 50.34 ppm; 3.05 A): 1 out of 2 assignments used, quality = 0.88: * HA MET 11 + HD3 PRO 12 OK 88 100 - 89 - 3.8=52, 49/1.8=34...(12) HA GLN 111 - HD3 PRO 12 lone 6 68 - 9 - 48/1.8=2, 18/4.8=2...(4) Peak 51 from aliabs.peaks (3.64, 4.67, 52.83 ppm; 2.88 A): 1 out of 2 assignments used, quality = 0.84: * HD3 PRO 12 + HA MET 11 OK 84 100 - 84 - 3.8=44, 1.8/49=31...(12) HA2 GLY 94 - HA MET 11 poor 8 77 - 11 - 58/3.8=3, 74/4.8=2...(5) Peak 52 from aliabs.peaks (4.33, 3.58, 50.34 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 3.6=100 HA TYR 70 - HD2 PRO 12 OK 29 72 - 40 - 9937/3.0=15, 76/3.0=8...(6) HA ILE 56 - HD2 PRO 12 OK 25 85 - 29 - 60/1.8=6, 92/2.3=6...(8) Peak 53 from aliabs.peaks (1.76, 3.58, 50.34 ppm; 4.14 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 3.0=100 HG LEU 95 + HD2 PRO 12 OK 71 100 - 71 - ~8732=13, 93/2.3=11...(19) HB ILE 83 + HD2 PRO 12 OK 54 77 - 70 - 93/2.3=8, 101/2.3=8...(39) HG LEU 66 - HD2 PRO 12 OK 24 100 - 24 - 85/3.0=4, 61/1.8=4...(10) HB3 ARG 35 - HD2 PRO 12 OK 19 89 - 21 - 61/1.8=3, 101/2.3=3...(11) HG LEU 39 - HD2 PRO 12 lone 5 68 - 7 - Peak 54 from aliabs.peaks (2.24, 3.58, 50.34 ppm; 4.61 A): 3 out of 4 assignments used, quality = 1.00: * HB3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HD2 PRO 12 OK 49 100 - 49 - 62/1.8=10, 102/2.3=9...(11) HB2 GLU 28 + HD2 PRO 12 OK 47 72 - 64 - 62/1.8=9, 102/2.3=9...(20) HG2 MET 113 - HD2 PRO 12 lone 6 77 - 7 - 62/1.8=1, 102/2.3=1, 94/2.3=1 Peak 55 from aliabs.peaks (1.95, 3.58, 50.34 ppm; 3.13 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 - HD2 PRO 12 OK 40 85 - 47 - 63/1.8=6, 103/2.3=6...(29) HB3 PRO 52 - HD2 PRO 12 OK 38 81 - 47 - 63/1.8=5, 103/2.3=5...(21) HB3 LEU 132 - HD2 PRO 12 OK 16 85 - 19 - 103/2.3=3, 63/1.8=2...(8) HB ILE 136 - HD2 PRO 12 poor 10 72 - 13 - 63/1.8=1, 103/2.3=1...(7) HB2 LYS 34 - HD2 PRO 12 poor 9 62 - 14 - 14/3.8=2, 20/4.8=2...(6) HB2 LYS 61 - HD2 PRO 12 lone 8 89 - 9 - 71/3.6=2, 63/1.8=1 HB3 PRO 98 - HD2 PRO 12 lone 6 100 - 6 - HB3 GLU 122 - HD2 PRO 12 lone 6 99 - 5 - HB2 ARG 89 - HD2 PRO 12 lone 2 62 - 4 - Peak 56 from aliabs.peaks (1.92, 3.58, 50.34 ppm; 3.34 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 + HD2 PRO 12 OK 51 96 - 53 - 64/1.8=6, 96/2.3=6...(30) HB3 PRO 52 - HD2 PRO 12 OK 32 68 - 48 - 2.3/55=6, 64/1.8=3...(26) HB2 LYS 86 - HD2 PRO 12 OK 31 100 - 32 - ~10050=4, 96/2.3=4...(16) HG2 PRO 52 - HD2 PRO 12 OK 29 62 - 46 - 2.3/55=5, 64/1.8=3...(33) HB2 PRO 118 - HD2 PRO 12 OK 24 94 - 26 - 1.8/8001=4, 96/2.3=3...(13) HB2 ARG 140 - HD2 PRO 12 OK 12 99 - 12 - 10374/3.8=2, 96/2.3=2, 64/1.8=1 QE MET 68 - HD2 PRO 12 poor 10 92 - 11 - 3.3/8001=3, 1994/4.8=2, 64/1.8=1 HB ILE 136 - HD2 PRO 12 poor 10 77 - 12 - ~10759=2, ~11135=1...(4) HB3 LEU 132 - HD2 PRO 12 poor 9 62 - 15 - ~10423=1, ~4481=1...(5) HB2 MET 59 - HD2 PRO 12 lone 8 81 - 9 - ~1611=1 HB2 ARG 89 - HD2 PRO 12 lone 5 85 - 5 - Peak 57 from aliabs.peaks (3.58, 3.58, 50.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HD2 PRO 12 OK 100 100 - 100 Peak 58 from aliabs.peaks (3.64, 3.58, 50.34 ppm; 2.87 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 12 + HD2 PRO 12 OK 100 100 - 100 - 1.8=100 HA2 GLY 94 - HD2 PRO 12 OK 20 77 - 25 - 98/2.3=5, 106/2.3=4...(10) Peak 60 from aliabs.peaks (4.33, 3.64, 50.34 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 3.6=100 HA TYR 70 - HD3 PRO 12 OK 31 72 - 43 - 9937/3.0=16, 52/1.8=9...(6) HA ILE 56 - HD3 PRO 12 OK 27 85 - 31 - 52/1.8=7, 92/2.3=6...(8) Peak 61 from aliabs.peaks (1.76, 3.64, 50.34 ppm; 3.94 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 3.0=100 HG LEU 95 + HD3 PRO 12 OK 70 100 - 70 - 2.1/8732=18, 93/2.3=10...(20) HB ILE 83 + HD3 PRO 12 OK 52 77 - 67 - 93/2.3=8, 101/2.3=8...(39) HG LEU 66 - HD3 PRO 12 OK 23 100 - 23 - 85/3.0=3, 69/3.6=3...(10) HB3 ARG 35 - HD3 PRO 12 OK 18 89 - 20 - 53/1.8=3, 101/2.3=2...(9) HG LEU 39 - HD3 PRO 12 lone 5 68 - 7 - Peak 62 from aliabs.peaks (2.24, 3.64, 50.34 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HD3 PRO 12 OK 47 100 - 48 - 1.8/8002=10, 54/1.8=9...(11) HB2 GLU 28 - HD3 PRO 12 OK 44 72 - 61 - 102/2.3=9, 94/2.3=9...(20) HG2 MET 113 - HD3 PRO 12 lone 5 77 - 6 - 102/2.3=1, 54/1.8=1, 94/2.3=1 Peak 63 from aliabs.peaks (1.95, 3.64, 50.34 ppm; 3.10 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 - HD3 PRO 12 OK 39 85 - 46 - 55/1.8=6, 103/2.3=6...(27) HB3 PRO 52 - HD3 PRO 12 OK 37 81 - 46 - 55/1.8=5, 103/2.3=5...(19) HB3 LEU 132 - HD3 PRO 12 OK 16 85 - 19 - 103/2.3=3, 55/1.8=2...(8) HB ILE 136 - HD3 PRO 12 poor 10 72 - 14 - 64=1, 55/1.8=1...(7) HB2 LYS 34 - HD3 PRO 12 poor 9 62 - 14 - 14/3.8=2, 20/4.8=1...(7) HB2 LYS 61 - HD3 PRO 12 lone 8 89 - 9 - 71/3.6=2, 55/1.8=1 HB3 PRO 98 - HD3 PRO 12 lone 6 100 - 6 - HB3 GLU 122 - HD3 PRO 12 lone 6 99 - 5 - HB2 ARG 89 - HD3 PRO 12 lone 2 62 - 4 - Peak 64 from aliabs.peaks (1.92, 3.64, 50.34 ppm; 3.35 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 + HD3 PRO 12 OK 51 96 - 53 - 56/1.8=6, 96/2.3=6...(30) HB2 LYS 86 - HD3 PRO 12 OK 32 100 - 33 - 3.0/10050=6, 96/2.3=4...(16) HB3 PRO 52 - HD3 PRO 12 OK 32 68 - 48 - 2.3/63=6, 56/1.8=4...(27) HG2 PRO 52 - HD3 PRO 12 OK 29 62 - 47 - 2.3/63=5, 56/1.8=3...(33) HB2 PRO 118 - HD3 PRO 12 OK 24 94 - 25 - ~8001=4, 96/2.3=3...(13) HB2 ARG 140 - HD3 PRO 12 OK 12 99 - 12 - 10374/3.8=2, 96/2.3=2, 56/1.8=1 QE MET 68 - HD3 PRO 12 OK 11 92 - 12 - ~8001=2, 1994/4.8=2...(4) HB ILE 136 - HD3 PRO 12 OK 10 77 - 13 - ~10759=2, ~11135=1...(4) HB3 LEU 132 - HD3 PRO 12 poor 9 62 - 15 - ~10423=1, ~4481=1...(5) HB2 MET 59 - HD3 PRO 12 poor 8 81 - 10 - 3.0/8002=1, ~1611=1 HB2 ARG 89 - HD3 PRO 12 lone 5 85 - 5 - Peak 65 from aliabs.peaks (3.58, 3.64, 50.34 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HD3 PRO 12 OK 100 100 - 100 - 1.8=100 Peak 66 from aliabs.peaks (3.64, 3.64, 50.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 12 + HD3 PRO 12 OK 100 100 - 100 Peak 68 from aliabs.peaks (4.33, 4.33, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 12 + HA PRO 12 OK 100 100 - 100 Peak 69 from aliabs.peaks (1.76, 4.33, 63.02 ppm; 3.23 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 12 + HA PRO 12 OK 100 100 - 100 - 2.3=100 HG LEU 95 - HA PRO 12 OK 40 100 - 40 - 85/2.3=8, 93/3.8=5...(14) HB ILE 83 - HA PRO 12 OK 31 77 - 40 - 85/2.3=6, 93/3.8=4...(19) HG LEU 66 - HA PRO 12 OK 22 100 - 22 - 2.1/8400=8, 85/2.3=3...(10) HB3 ARG 35 - HA PRO 12 OK 12 89 - 14 - 85/2.3=2, ~596=1...(7) HG LEU 39 - HA PRO 12 lone 4 68 - 5 - Peak 70 from aliabs.peaks (2.24, 4.33, 63.02 ppm; 3.05 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 12 + HA PRO 12 OK 100 100 - 100 - 2.3=100 HB2 GLU 28 - HA PRO 12 OK 26 72 - 35 - 70=6, 78/2.3=6, 3.0/70=4...(14) HG2 GLU 37 - HA PRO 12 OK 21 100 - 22 - 78/2.3=5, 102/3.8=3...(7) HG2 MET 113 - HA PRO 12 lone 2 77 - 3 - Peak 71 from aliabs.peaks (1.95, 4.33, 63.02 ppm; 3.52 A): 3 out of 10 assignments used, quality = 0.94: * HG2 PRO 12 + HA PRO 12 OK 85 100 - 85 - 3.8=77, 8019/4.8=13...(5) HG2 PRO 52 + HA PRO 12 OK 40 85 - 47 - 2.3/8235=14, 79/2.3=7...(15) HB3 PRO 52 + HA PRO 12 OK 36 81 - 45 - 3.0/8235=13, 79/2.3=7...(15) HB2 LYS 61 - HA PRO 12 OK 21 89 - 23 - 3.8/11047=17, 8007/8003=2 HB3 LEU 132 - HA PRO 12 OK 14 85 - 16 - 79/2.3=3, 87/2.3=3, 71=2...(7) HB ILE 136 - HA PRO 12 OK 11 72 - 15 - ~10759=2, ~11135=2, 72=2...(9) HB2 LYS 34 - HA PRO 12 poor 8 62 - 13 - ~10582=2, ~10808=2...(7) HB3 GLU 122 - HA PRO 12 lone 7 99 - 7 - 10322/11253=2 HB3 PRO 98 - HA PRO 12 lone 7 100 - 7 - 6565/11047=1 HB2 ARG 89 - HA PRO 12 lone 2 62 - 3 - Peak 72 from aliabs.peaks (1.92, 4.33, 63.02 ppm; 3.79 A): 2 out of 12 assignments used, quality = 0.98: * HG3 PRO 12 + HA PRO 12 OK 97 100 - 97 - 3.8=95, 1.8/92=26...(6) HG13 ILE 83 + HA PRO 12 OK 46 96 - 47 - 80/2.3=7, 3.0/69=7...(16) HB3 PRO 52 - HA PRO 12 OK 30 68 - 45 - 3.0/8235=15, 2.3/71=6...(15) HG2 PRO 52 - HA PRO 12 OK 28 62 - 45 - 2.3/8235=17, 2.3/71=6...(15) HB2 LYS 86 - HA PRO 12 OK 16 100 - 16 - 88/2.3=4, 80/2.3=4...(5) HB2 PRO 118 - HA PRO 12 OK 14 94 - 15 - 88/2.3=3, 80/2.3=3...(7) HB ILE 136 - HA PRO 12 OK 11 77 - 14 - ~10759=3, ~11135=2...(5) HB2 ARG 140 - HA PRO 12 lone 9 99 - 9 - 10374/4.8=2, 88/2.3=1...(6) QE MET 68 - HA PRO 12 lone 7 92 - 8 - 8455/6723=1, 80/2.3=1 HB3 LEU 132 - HA PRO 12 lone 6 62 - 10 - ~10423=2, 80/2.3=1...(4) HB2 MET 59 - HA PRO 12 lone 4 81 - 5 - HB2 ARG 89 - HA PRO 12 lone 3 85 - 4 - Peak 73 from aliabs.peaks (3.58, 4.33, 63.02 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HA PRO 12 OK 100 100 - 100 - 3.6=100 Peak 74 from aliabs.peaks (3.64, 4.33, 63.02 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 12 + HA PRO 12 OK 100 100 - 100 - 3.6=100 HA2 GLY 94 - HA PRO 12 OK 29 77 - 38 - 82/2.3=10, 90/2.3=10...(6) Peak 76 from aliabs.peaks (4.33, 1.76, 31.89 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HA TYR 70 - HB2 PRO 12 OK 26 72 - 36 - 9937/1.8=9, 92/2.3=5...(13) HA ILE 56 - HB2 PRO 12 OK 13 85 - 16 - 92/2.3=3, 84/1.8=3...(5) Peak 77 from aliabs.peaks (1.76, 1.76, 31.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 12 + HB2 PRO 12 OK 100 100 - 100 Peak 78 from aliabs.peaks (2.24, 1.76, 31.89 ppm; 2.71 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 1.8=100 HB2 GLU 28 - HB2 PRO 12 OK 26 72 - 35 - 78=6, 70/2.3=4, 94/2.3=4...(14) HG2 GLU 37 - HB2 PRO 12 OK 22 100 - 22 - 94/2.3=4, 102/2.3=4...(8) HG2 MET 113 - HB2 PRO 12 lone 2 77 - 3 - Peak 79 from aliabs.peaks (1.95, 1.76, 31.89 ppm; 2.78 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 - HB2 PRO 12 OK 39 85 - 46 - ~8235=6, 87/1.8=5...(15) HB3 PRO 52 - HB2 PRO 12 OK 36 81 - 44 - ~8235=5, 87/1.8=5...(17) HB3 LEU 132 - HB2 PRO 12 OK 14 85 - 17 - 103/2.3=2, 87/1.8=2...(7) HB ILE 136 - HB2 PRO 12 poor 9 72 - 12 - 2.5/10759=3, 87/1.8=1...(4) HB2 LYS 34 - HB2 PRO 12 lone 6 62 - 9 - ~10582=1, ~10808=1...(4) HB2 LYS 61 - HB2 PRO 12 lone 5 89 - 6 - 71/2.3=2 HB3 GLU 122 - HB2 PRO 12 lone 5 99 - 4 - HB3 PRO 98 - HB2 PRO 12 lone 4 100 - 4 - HB2 ARG 89 - HB2 PRO 12 lone 2 62 - 3 - Peak 80 from aliabs.peaks (1.92, 1.76, 31.89 ppm; 2.86 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 + HB2 PRO 12 OK 46 96 - 48 - 2.1/2540=5, 2532=4...(27) HB3 PRO 52 - HB2 PRO 12 OK 29 68 - 44 - ~8235=5, 2.3/79=5...(18) HG2 PRO 52 - HB2 PRO 12 OK 27 62 - 43 - ~8235=7, 2.3/79=5...(16) HB2 LYS 86 - HB2 PRO 12 OK 24 100 - 24 - 96/2.3=3, 88/1.8=3...(11) HB2 PRO 118 - HB2 PRO 12 OK 17 94 - 18 - ~8001=2, 96/2.3=2...(7) HB ILE 136 - HB2 PRO 12 poor 8 77 - 10 - 2.5/10759=3 HB2 ARG 140 - HB2 PRO 12 lone 8 99 - 8 - 96/2.3=1 HB3 LEU 132 - HB2 PRO 12 poor 8 62 - 12 - 3.2/10423=2, 96/2.3=1 QE MET 68 - HB2 PRO 12 lone 7 92 - 7 - HB2 MET 59 - HB2 PRO 12 lone 6 81 - 7 - HB2 ARG 89 - HB2 PRO 12 lone 4 85 - 4 - Peak 81 from aliabs.peaks (3.58, 1.76, 31.89 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 3.0=100 Peak 82 from aliabs.peaks (3.64, 1.76, 31.89 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 12 + HB2 PRO 12 OK 100 100 - 100 - 3.0=100 HA2 GLY 94 - HB2 PRO 12 OK 33 77 - 42 - 90/1.8=9, 106/2.3=8...(9) Peak 84 from aliabs.peaks (4.33, 2.24, 31.89 ppm; 3.03 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HA TYR 70 - HB3 PRO 12 OK 28 72 - 38 - 84=10, 76/1.8=7...(14) HA ILE 56 - HB3 PRO 12 OK 12 85 - 14 - 76/1.8=3, 92/2.3=3...(5) Peak 85 from aliabs.peaks (1.76, 2.24, 31.89 ppm; 2.73 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 1.8=100 HG LEU 95 + HB3 PRO 12 OK 47 100 - 47 - 85=11, 93/2.3=6...(21) HB ILE 83 - HB3 PRO 12 OK 33 77 - 43 - 93/2.3=4, 85=4...(17) HG LEU 66 - HB3 PRO 12 OK 18 100 - 18 - ~8400=4, ~8400=4...(9) HB3 ARG 35 - HB3 PRO 12 OK 12 89 - 13 - 85=3, 69/2.3=1, 93/2.3=1...(5) HG LEU 39 - HB3 PRO 12 lone 3 68 - 4 - Peak 86 from aliabs.peaks (2.24, 2.24, 31.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 Peak 87 from aliabs.peaks (1.95, 2.24, 31.89 ppm; 3.08 A): 2 out of 10 assignments used, quality = 1.00: * HG2 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HB3 PRO 12 OK 46 85 - 54 - ~8235=8, 79/1.8=7...(30) HB3 PRO 52 - HB3 PRO 12 OK 42 81 - 53 - ~8235=6, 79/1.8=6...(23) HB3 LEU 132 - HB3 PRO 12 OK 17 85 - 20 - 103/2.3=3, 79/1.8=2...(8) HB ILE 136 - HB3 PRO 12 OK 10 72 - 14 - ~10759=2, ~11135=2...(8) HB2 LYS 34 - HB3 PRO 12 poor 9 62 - 15 - 3.4/10808=3, 3.4/10808=3...(6) HB2 LYS 61 - HB3 PRO 12 lone 6 89 - 7 - 71/2.3=2 HB3 PRO 98 - HB3 PRO 12 lone 6 100 - 6 - HB3 GLU 122 - HB3 PRO 12 lone 6 99 - 6 - HB2 ARG 89 - HB3 PRO 12 lone 2 62 - 4 - Peak 88 from aliabs.peaks (1.92, 2.24, 31.89 ppm; 3.25 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 2.3=100 HG13 ILE 83 + HB3 PRO 12 OK 54 96 - 56 - 80/1.8=7, 3.0/85=6...(33) HB3 PRO 52 - HB3 PRO 12 OK 37 68 - 56 - ~8235=7, 2.3/87=6, 87=4...(27) HG2 PRO 52 - HB3 PRO 12 OK 34 62 - 55 - ~8235=9, 2.3/87=6, 87=4...(38) HB2 LYS 86 - HB3 PRO 12 OK 32 100 - 32 - 96/2.3=4, 80/1.8=3...(17) HB2 PRO 118 - HB3 PRO 12 OK 23 94 - 25 - ~8001=3, 96/2.3=3...(13) HB2 ARG 140 - HB3 PRO 12 OK 10 99 - 10 - 96/2.3=1, 80/1.8=1, 87=1 HB3 LEU 132 - HB3 PRO 12 OK 10 62 - 16 - ~10423=2, 88=1, 96/2.3=1...(6) HB ILE 136 - HB3 PRO 12 poor 10 77 - 13 - ~10759=2, ~11135=2...(4) QE MET 68 - HB3 PRO 12 lone 8 92 - 9 - ~8001=1 HB2 MET 59 - HB3 PRO 12 lone 8 81 - 10 - HB2 ARG 89 - HB3 PRO 12 lone 5 85 - 6 - Peak 89 from aliabs.peaks (3.58, 2.24, 31.89 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 3.0=100 Peak 90 from aliabs.peaks (3.64, 2.24, 31.89 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 12 + HB3 PRO 12 OK 100 100 - 100 - 3.0=100 HA2 GLY 94 - HB3 PRO 12 OK 34 77 - 43 - 82/1.8=10, 106/2.3=9...(9) Peak 92 from aliabs.peaks (4.33, 1.95, 27.30 ppm; 3.65 A): 3 out of 3 assignments used, quality = 0.94: * HA PRO 12 + HG2 PRO 12 OK 91 100 - 91 - 3.8=86, 4.8/8019=15...(6) HA TYR 70 + HG2 PRO 12 OK 26 72 - 35 - 9937/2.3=11, 76/2.3=8...(6) HA ILE 56 + HG2 PRO 12 OK 17 85 - 20 - 100/1.8=4, 52/2.3=4...(5) Peak 93 from aliabs.peaks (1.76, 1.95, 27.30 ppm; 2.93 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HG LEU 95 + HG2 PRO 12 OK 51 100 - 51 - 85/2.3=7, 101/1.8=7...(21) HB ILE 83 - HG2 PRO 12 OK 40 77 - 52 - 101/1.8=5, 85/2.3=5...(28) HG LEU 66 - HG2 PRO 12 OK 14 100 - 14 - 85/2.3=3, 101/1.8=2...(7) HB3 ARG 35 - HG2 PRO 12 OK 12 89 - 13 - 85/2.3=2, 101/1.8=2...(6) HG LEU 39 - HG2 PRO 12 lone 3 68 - 5 - Peak 94 from aliabs.peaks (2.24, 1.95, 27.30 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HB2 GLU 28 - HG2 PRO 12 OK 30 72 - 41 - 78/2.3=6, 102/1.8=6...(19) HG2 GLU 37 - HG2 PRO 12 OK 29 100 - 29 - 102/1.8=6, 78/2.3=5...(8) HG2 MET 113 - HG2 PRO 12 lone 3 77 - 4 - Peak 95 from aliabs.peaks (1.95, 1.95, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 12 + HG2 PRO 12 OK 100 100 - 100 Peak 96 from aliabs.peaks (1.92, 1.95, 27.30 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HG3 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 1.8=100 HG13 ILE 83 - HG2 PRO 12 OK 35 96 - 36 - 80/2.3=3, 3.0/93=3...(15) HB2 LYS 86 - HG2 PRO 12 OK 25 100 - 25 - 1.8/2694=2, ~10050=2...(13) HB3 PRO 52 - HG2 PRO 12 OK 21 68 - 31 - 80/2.3=2, 88/2.3=2...(10) HG2 PRO 52 - HG2 PRO 12 OK 19 62 - 30 - 80/2.3=2, 88/2.3=2...(11) HB2 PRO 118 - HG2 PRO 12 OK 17 94 - 18 - ~8001=2, 1.8/10666=2...(8) HB2 ARG 140 - HG2 PRO 12 lone 9 99 - 9 - HB3 LEU 132 - HG2 PRO 12 poor 8 62 - 13 - 1.8/4481=1 HB ILE 136 - HG2 PRO 12 lone 7 77 - 9 - HB2 MET 59 - HG2 PRO 12 lone 6 81 - 7 - QE MET 68 - HG2 PRO 12 lone 5 92 - 5 - HB2 ARG 89 - HG2 PRO 12 lone 5 85 - 5 - Peak 97 from aliabs.peaks (3.58, 1.95, 27.30 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 Peak 98 from aliabs.peaks (3.64, 1.95, 27.30 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 12 + HG2 PRO 12 OK 100 100 - 100 - 2.3=100 HA2 GLY 94 - HG2 PRO 12 OK 22 77 - 28 - 106/1.8=6, 58/2.3=5...(8) Peak 100 from aliabs.peaks (4.33, 1.92, 27.30 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 3.8=100 HA TYR 70 - HG3 PRO 12 OK 28 72 - 39 - 9937/2.3=15, 76/2.3=9...(5) HA ILE 56 - HG3 PRO 12 OK 21 85 - 24 - 92/1.8=6, 52/2.3=5...(6) Peak 101 from aliabs.peaks (1.76, 1.92, 27.30 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HG LEU 95 + HG3 PRO 12 OK 56 100 - 56 - 93/1.8=9, 85/2.3=8...(19) HB ILE 83 - HG3 PRO 12 OK 43 77 - 56 - 93/1.8=7, 85/2.3=6...(31) HG LEU 66 - HG3 PRO 12 OK 17 100 - 17 - 85/2.3=3, 93/1.8=3...(7) HB3 ARG 35 - HG3 PRO 12 OK 14 89 - 15 - 93/1.8=2, 85/2.3=2...(7) HG LEU 39 - HG3 PRO 12 lone 4 68 - 6 - Peak 102 from aliabs.peaks (2.24, 1.92, 27.30 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HB2 GLU 28 - HG3 PRO 12 OK 35 72 - 48 - 94/1.8=7, 78/2.3=7...(21) HG2 GLU 37 - HG3 PRO 12 OK 34 100 - 35 - 94/1.8=7, 78/2.3=6...(10) HG2 MET 113 - HG3 PRO 12 lone 4 77 - 5 - Peak 103 from aliabs.peaks (1.95, 1.92, 27.30 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 1.8=100 HG2 PRO 52 - HG3 PRO 12 OK 30 85 - 36 - 79/2.3=4, 87/2.3=4...(9) HB3 PRO 52 - HG3 PRO 12 OK 29 81 - 35 - 79/2.3=4, 87/2.3=3...(12) HB3 LEU 132 - HG3 PRO 12 OK 14 85 - 16 - 79/2.3=1, 87/2.3=1...(5) HB ILE 136 - HG3 PRO 12 poor 7 72 - 10 - HB2 LYS 34 - HG3 PRO 12 lone 4 62 - 7 - HB2 LYS 61 - HG3 PRO 12 lone 4 89 - 5 - HB3 GLU 122 - HG3 PRO 12 lone 4 99 - 4 - HB3 PRO 98 - HG3 PRO 12 lone 4 100 - 4 - HB2 ARG 89 - HG3 PRO 12 lone 3 62 - 4 - Peak 104 from aliabs.peaks (1.92, 1.92, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 Peak 105 from aliabs.peaks (3.58, 1.92, 27.30 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 Peak 106 from aliabs.peaks (3.64, 1.92, 27.30 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 12 + HG3 PRO 12 OK 100 100 - 100 - 2.3=100 HA2 GLY 94 - HG3 PRO 12 OK 26 77 - 33 - 98/1.8=7, 82/2.3=7...(8) Peak 109 from aliabs.peaks (4.53, 4.53, 53.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 13 + HA ASP 13 OK 100 100 - 100 Peak 110 from aliabs.peaks (2.50, 4.53, 53.36 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 13 + HA ASP 13 OK 100 100 - 100 - 3.0=100 Peak 111 from aliabs.peaks (2.72, 4.53, 53.36 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 13 + HA ASP 13 OK 100 100 - 100 - 3.0=100 HB3 TYR 70 - HA ASP 13 OK 24 94 - 25 - 3.0/10602=11, 116/3.0=4...(7) HB3 MET 46 - HA ASP 13 lone 8 100 - 8 - 4.2/10488=4, 9763/10590=2 HB3 GLU 120 - HA ASP 13 lone 2 99 - 2 - HB2 ASN 84 - HA ASP 13 lone 2 100 - 2 - HB3 CYS 121 - HA ASP 13 lone 1 77 - 1 - Peak 114 from aliabs.peaks (4.53, 2.50, 40.83 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 13 + HB2 ASP 13 OK 100 100 - 100 - 3.0=100 HA TYR 115 - HB2 ASP 13 OK 37 98 - 38 - 119/1.8=9, 2.9/116=8...(12) HA HIS 14 - HB2 ASP 13 OK 28 89 - 31 - 3.0/117=15, ~122=7...(5) Peak 115 from aliabs.peaks (2.50, 2.50, 40.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 13 + HB2 ASP 13 OK 100 100 - 100 Peak 116 from aliabs.peaks (2.72, 2.50, 40.83 ppm; 2.88 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 13 + HB2 ASP 13 OK 100 100 - 100 - 1.8=100 HB3 TYR 70 - HB2 ASP 13 OK 14 94 - 15 - 3.0/10951=4, ~10602=3...(5) HB3 MET 46 - HB2 ASP 13 lone 3 100 - 3 - 111/3.0=1 HB2 ASN 84 - HB2 ASP 13 lone 1 100 - 1 - HB3 GLU 120 - HB2 ASP 13 lone 1 99 - 1 - HB3 CYS 121 - HB2 ASP 13 lone 0 77 - 0 - Peak 119 from aliabs.peaks (4.53, 2.72, 40.83 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 13 + HB3 ASP 13 OK 100 100 - 100 - 3.0=100 HA TYR 115 + HB3 ASP 13 OK 48 98 - 49 - 114/1.8=9, 2.9/3842=6...(16) HA HIS 14 - HB3 ASP 13 OK 31 89 - 35 - 3.0/122=14, ~117=11...(6) Peak 120 from aliabs.peaks (2.50, 2.72, 40.83 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 13 + HB3 ASP 13 OK 100 100 - 100 - 1.8=100 Peak 121 from aliabs.peaks (2.72, 2.72, 40.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 13 + HB3 ASP 13 OK 100 100 - 100 Peak 124 from aliabs.peaks (4.52, 4.52, 55.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 14 + HA HIS 14 OK 100 100 - 100 Peak 125 from aliabs.peaks (2.98, 4.52, 55.94 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.77: * HB2 HIS 14 + HA HIS 14 OK 77 100 - 77 - 3.0=57, 1.8/136=26...(9) HB3 TYR 27 - HA HIS 14 lone 5 98 - 5 - 4503/4.7=4, 137/3.0=1 HB2 ASP 30 - HA HIS 14 lone 3 100 - 3 - 4503/4.7=1 HA VAL 71 - HA HIS 14 lone 2 96 - 2 - 4503/4.7=1 Peak 126 from aliabs.peaks (2.92, 4.52, 55.94 ppm; 2.56 A): 3 out of 5 assignments used, quality = 0.87: * HB3 HIS 14 + HA HIS 14 OK 81 100 - 81 - 3.0=62, 1.8/130=29...(9) HE2 LYS 61 + HA HIS 14 OK 19 96 - 20 - 4.8/9856=3, 132/3.0=2...(9) HE3 LYS 61 + HA HIS 14 OK 16 85 - 19 - 4.8/9856=3, 4.8/9855=2...(9) HB3 ASN 130 - HA HIS 14 lone 1 68 - 2 - HB2 TYR 119 - HA HIS 14 lone 0 62 - 0 - Peak 127 from aliabs.peaks (6.87, 4.52, 55.94 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.62: * HD2 HIS 14 + HA HIS 14 OK 62 100 - 63 - 127=34, 133/3.0=26, 139/3.0=23 HZ PHE 23 - HA HIS 14 lone 3 100 - 3 - 133/3.0=1, 139/3.0=1 Peak 130 from aliabs.peaks (4.52, 2.98, 30.44 ppm; 2.50 A): 1 out of 3 assignments used, quality = 0.79: * HA HIS 14 + HB2 HIS 14 OK 79 100 - 79 - 3.0=57, 126/1.8=29...(10) HA TYR 115 - HB2 HIS 14 lone 6 68 - 8 - 136/1.8=2, 130=2, ~3840=1 HA ASP 13 - HB2 HIS 14 lone 3 89 - 3 - 136/1.8=1 Peak 131 from aliabs.peaks (2.98, 2.98, 30.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 14 + HB2 HIS 14 OK 100 100 - 100 Peak 132 from aliabs.peaks (2.92, 2.98, 30.44 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 HIS 14 + HB2 HIS 14 OK 100 100 - 100 - 1.8=100 HE2 LYS 61 - HB2 HIS 14 OK 15 96 - 16 - 126/3.0=3, 137/1.8=2...(4) HE3 LYS 61 - HB2 HIS 14 OK 13 85 - 15 - 126/3.0=3, ~137=2...(5) HB3 ASN 130 - HB2 HIS 14 lone 2 68 - 3 - HB2 TYR 119 - HB2 HIS 14 lone 0 62 - 0 - Peak 133 from aliabs.peaks (6.87, 2.98, 30.44 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.66: * HD2 HIS 14 + HB2 HIS 14 OK 66 100 - 67 - 4.0=40, 139/1.8=27...(5) HZ PHE 23 - HB2 HIS 14 lone 3 100 - 3 - 139/1.8=2, 127/3.0=1 Peak 136 from aliabs.peaks (4.52, 2.92, 30.44 ppm; 2.59 A): 1 out of 3 assignments used, quality = 0.82: * HA HIS 14 + HB3 HIS 14 OK 82 100 - 82 - 3.0=64, 130/1.8=29...(9) HA TYR 115 - HB3 HIS 14 poor 8 68 - 11 - 136=3, 130/1.8=2...(4) HA ASP 13 - HB3 HIS 14 lone 4 89 - 4 - 130/1.8=1 Peak 137 from aliabs.peaks (2.98, 2.92, 30.44 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 HIS 14 + HB3 HIS 14 OK 100 100 - 100 - 1.8=100 HB3 TYR 27 - HB3 HIS 14 lone 7 98 - 7 - 4503/4.0=5, 125/3.0=1 HB2 ASP 30 - HB3 HIS 14 lone 4 100 - 4 - 4503/4.0=2 HA VAL 71 - HB3 HIS 14 lone 3 96 - 3 - 4503/4.0=2 Peak 138 from aliabs.peaks (2.92, 2.92, 30.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 14 + HB3 HIS 14 OK 100 100 - 100 Peak 139 from aliabs.peaks (6.87, 2.92, 30.44 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.79: * HD2 HIS 14 + HB3 HIS 14 OK 79 100 - 79 - 4.0=54, 133/1.8=37...(5) HZ PHE 23 - HB3 HIS 14 lone 4 100 - 4 - 133/1.8=2, 127/3.0=1 Peak 142 from aliabs.peaks (3.74, 3.74, 45.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 15 + HA2 GLY 15 OK 100 100 - 100 HA3 GLY 15 + HA3 GLY 15 OK 52 52 - 100 Peak 143 from aliabs.peaks (3.75, 3.74, 45.39 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HA2 GLY 15 + HA2 GLY 15 OK 89 89 - 100 HA3 GLY 15 + HA3 GLY 15 OK 65 65 - 100 Reference assignment not found: HA3 GLY 15 - HA2 GLY 15 Peak 146 from aliabs.peaks (3.74, 3.75, 45.39 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HA3 GLY 15 + HA3 GLY 15 OK 89 89 - 100 HA2 GLY 15 + HA2 GLY 15 OK 65 65 - 100 Reference assignment not found: HA2 GLY 15 - HA3 GLY 15 Peak 147 from aliabs.peaks (3.75, 3.75, 45.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 15 + HA3 GLY 15 OK 100 100 - 100 HA2 GLY 15 + HA2 GLY 15 OK 52 52 - 100 Peak 150 from aliabs.peaks (4.66, 4.66, 53.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 16 + HA ASP 16 OK 100 100 - 100 Peak 151 from aliabs.peaks (2.60, 4.66, 53.91 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 16 + HA ASP 16 OK 100 100 - 100 - 3.0=100 HB3 PRO 129 - HA ASP 16 OK 11 92 - 12 - 161/3.0=3, ~4377=2...(7) HB2 GLU 120 - HA ASP 16 lone 1 89 - 1 - Peak 152 from aliabs.peaks (2.74, 4.66, 53.91 ppm; 3.31 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 16 + HA ASP 16 OK 100 100 - 100 - 3.0=100 HB3 PHE 43 - HA ASP 16 lone 8 100 - 8 - 157/3.0=2, 1.8/152=2, 985/3.0=1 HB3 ASP 137 - HA ASP 16 lone 3 62 - 5 - 1.8/152=2 HB2 ASN 54 - HA ASP 16 lone 3 100 - 3 - 11663/3.6=1 HB3 ASP 40 - HA ASP 16 lone 1 85 - 1 - HG3 MET 113 - HA ASP 16 lone 1 98 - 1 - HB2 ASN 96 - HA ASP 16 lone 1 100 - 1 - HB3 TYR 70 - HA ASP 16 lone 1 62 - 1 - HE2 LYS 76 - HA ASP 16 lone 0 72 - 1 - Peak 155 from aliabs.peaks (4.66, 2.60, 40.84 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 16 + HB2 ASP 16 OK 100 100 - 100 - 3.0=100 HA ASP 32 - HB2 ASP 16 poor 9 81 - 11 - 160/1.8=4, 3.0/157=2...(4) HA GLN 111 - HB2 ASP 16 lone 3 98 - 3 - 160/1.8=1 HA ASN 139 - HB2 ASP 16 lone 1 94 - 1 - Peak 156 from aliabs.peaks (2.60, 2.60, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 16 + HB2 ASP 16 OK 100 100 - 100 Peak 157 from aliabs.peaks (2.74, 2.60, 40.84 ppm; 3.10 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 16 + HB2 ASP 16 OK 100 100 - 100 - 1.8=100 HB3 PHE 43 - HB2 ASP 16 lone 8 100 - 8 - 152/3.0=2, 1.8/157=2, 985/1.8=1 HB3 ASP 137 - HB2 ASP 16 lone 3 62 - 4 - 1.8/157=1 HB2 ASN 54 - HB2 ASP 16 lone 2 100 - 2 - HB3 ASP 40 - HB2 ASP 16 lone 1 85 - 1 - HG3 MET 113 - HB2 ASP 16 lone 1 98 - 1 - HB2 ASN 96 - HB2 ASP 16 lone 0 100 - 0 - HB3 TYR 70 - HB2 ASP 16 lone 0 62 - 1 - HE2 LYS 76 - HB2 ASP 16 lone 0 72 - 0 - Peak 160 from aliabs.peaks (4.66, 2.74, 40.84 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 16 + HB3 ASP 16 OK 100 100 - 100 - 3.0=100 HA ASP 32 - HB3 ASP 16 OK 12 81 - 14 - 155/1.8=3, 412=2...(6) HA GLN 111 - HB3 ASP 16 lone 3 98 - 3 - HA ASN 139 - HB3 ASP 16 lone 1 94 - 1 - Peak 161 from aliabs.peaks (2.60, 2.74, 40.84 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 16 + HB3 ASP 16 OK 100 100 - 100 - 1.8=100 HB3 PRO 129 - HB3 ASP 16 OK 11 92 - 12 - 151/3.0=2, ~4377=2...(7) HB2 GLU 120 - HB3 ASP 16 lone 1 89 - 1 - Peak 162 from aliabs.peaks (2.74, 2.74, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 16 + HB3 ASP 16 OK 100 100 - 100 Peak 165 from aliabs.peaks (4.86, 4.86, 55.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 17 + HA TRP 17 OK 100 100 - 100 Peak 166 from aliabs.peaks (3.16, 4.86, 55.44 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 17 + HA TRP 17 OK 100 100 - 100 - 3.0=100 HB2 TYR 70 - HA TRP 17 OK 30 72 - 41 - 186/3.0=9, 6047/3.0=6...(11) Peak 167 from aliabs.peaks (3.29, 4.86, 55.44 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 17 + HA TRP 17 OK 100 100 - 100 - 3.0=100 Peak 176 from aliabs.peaks (3.16, 3.16, 30.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 17 + HB2 TRP 17 OK 100 100 - 100 Peak 187 from aliabs.peaks (3.29, 3.29, 30.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 17 + HB3 TRP 17 OK 100 100 - 100 Peak 194 from aliabs.peaks (1.18, 1.18, 21.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 18 + QG2 THR 18 OK 100 100 - 100 Peak 195 from aliabs.peaks (4.06, 4.06, 58.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 25 + HA GLN 25 OK 100 100 - 100 Peak 196 from aliabs.peaks (2.18, 4.06, 58.58 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 25 + HA GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HA GLN 25 OK 55 100 - 56 - 212/2.9=9, 228/3.9=7...(23) HB3 LYS 86 - HA GLN 25 OK 29 89 - 33 - 212/2.9=5, 220/3.9=4...(12) HB3 PRO 57 - HA GLN 25 lone 6 62 - 9 - 10916/3.6=2, 8265/11202=1 HB2 MET 113 - HA GLN 25 lone 2 62 - 3 - Peak 197 from aliabs.peaks (2.10, 4.06, 58.58 ppm; 3.49 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLN 25 + HA GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 33 + HA GLN 25 OK 76 100 - 76 - 471=14, 1.8/479=11...(39) HG3 PRO 33 + HA GLN 25 OK 57 77 - 74 - 1.8/471=11, 479=9...(38) HB2 PRO 129 - HA GLN 25 OK 35 72 - 48 - 2.3/196=9, 4378/2.9=4...(22) HB3 LYS 36 - HA GLN 25 OK 28 100 - 28 - 3.0/10789=7, 3.9/10786=5...(10) HG2 PRO 118 - HA GLN 25 OK 21 94 - 22 - 2.3/199=2, 205/2.9=1...(9) HB3 GLU 142 - HA GLN 25 OK 14 99 - 14 - 4851/2.9=2, ~4844=1, 4.7/10926=1 HB2 GLU 131 - HA GLN 25 lone 4 68 - 6 - HG2 GLU 122 - HA GLN 25 lone 3 94 - 3 - Peak 198 from aliabs.peaks (2.37, 4.06, 58.58 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.94: * HG2 GLN 25 + HA GLN 25 OK 92 100 - 92 - 3.9=79, 1.8/227=20...(10) HG3 MET 11 + HA GLN 25 OK 24 100 - 24 - 214/2.9=6, 206/2.9=5...(5) HG3 GLU 37 - HA GLN 25 lone 5 81 - 6 - 214/2.9=1, 206/2.9=1 HB2 GLN 47 - HA GLN 25 lone 2 68 - 3 - Peak 199 from aliabs.peaks (2.40, 4.06, 58.58 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.96: * HG3 GLN 25 + HA GLN 25 OK 93 100 - 93 - 3.9=82, 1.8/219=21...(9) HB ILE 91 + HA GLN 25 OK 40 98 - 41 - 2.1/10940=9, 223/3.9=5...(12) HG2 MET 59 - HA GLN 25 OK 23 100 - 23 - 215/2.9=3, 223/3.9=3...(13) HG3 MET 59 - HA GLN 25 OK 22 100 - 22 - 215/2.9=3, 223/3.9=3...(11) HG2 MET 46 - HA GLN 25 OK 17 100 - 17 - 223/3.9=3, 215/2.9=3...(7) HB3 PRO 118 - HA GLN 25 OK 14 68 - 21 - 2.3/197=2, 215/2.9=2...(10) Peak 200 from aliabs.peaks (7.00, 4.06, 58.58 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 25 + HA GLN 25 OK 100 100 - 100 - 5.5=100 QE PHE 43 - HA GLN 25 OK 19 68 - 28 - ~4815=17, 11216/3.6=5...(5) HZ PHE 67 - HA GLN 25 lone 5 68 - 8 - 11216/3.6=2 HH2 TRP 17 - HA GLN 25 lone 5 100 - 5 - ~4686=2 HZ PHE 45 - HA GLN 25 lone 4 94 - 4 - ~10837=1 Peak 203 from aliabs.peaks (4.06, 2.18, 28.45 ppm; 4.72 A): 3 out of 8 assignments used, quality = 1.00: * HA GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 2.9=100 HD2 PRO 33 + HB2 GLN 25 OK 91 99 - 92 - 211/1.8=14, 219/2.9=12...(41) HA LEU 26 + HB2 GLN 25 OK 76 98 - 78 - 2.9/6074=22, 9775/2.9=13...(18) HA GLN 25 - HB3 LYS 86 OK 31 61 - 51 - 196=8, 2.9/212=7...(24) HA LYS 24 - HB2 GLN 25 OK 29 98 - 29 - 11347/4.6=11...(7) HA LEU 26 - HB3 LYS 86 OK 18 56 - 32 - 2.9/10916=5, 4.8/196=4...(13) HA LYS 24 - HB3 LYS 86 OK 13 56 - 23 - 10872/3.5=3, 11314/4.9=2...(10) HD2 PRO 33 - HB3 LYS 86 lone 5 58 - 9 - Peak 204 from aliabs.peaks (2.18, 2.18, 28.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 25 + HB2 GLN 25 OK 100 100 - 100 HB3 LYS 86 + HB3 LYS 86 OK 48 48 - 100 Peak 205 from aliabs.peaks (2.10, 2.18, 28.45 ppm; 3.58 A): 4 out of 18 assignments used, quality = 1.00: * HB3 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 1.8=100 HG2 PRO 33 + HB2 GLN 25 OK 83 100 - 83 - 2.3/203=13, 471/2.9=9...(46) HG3 PRO 33 + HB2 GLN 25 OK 64 77 - 83 - 2.3/203=13, ~211=8...(46) HB2 PRO 129 + HB2 GLN 25 OK 47 72 - 65 - 1.8/4386=10, 2.3/4402=9...(24) HB2 PRO 129 - HB3 LYS 86 OK 32 37 - 88 - 1.8/4386=13, 2.3/4402=13...(46) HB3 LYS 36 - HB2 GLN 25 OK 31 100 - 31 - 3.9/11462=10, ~10789=4...(13) HG2 PRO 118 - HB2 GLN 25 OK 25 94 - 27 - ~3975=2, 229/2.9=2...(12) HB3 GLN 25 - HB3 LYS 86 OK 25 61 - 41 - 212=8, 2.9/220=4...(20) HB3 GLU 142 - HB2 GLN 25 OK 13 99 - 13 - 4851/4.0=2, 4.7/10927=1...(4) HG2 PRO 118 - HB3 LYS 86 lone 5 53 - 10 - HB2 GLU 131 - HB2 GLN 25 lone 5 68 - 7 - HG2 PRO 33 - HB3 LYS 86 lone 4 60 - 6 - HG2 GLU 122 - HB2 GLN 25 lone 3 94 - 3 - HB3 LYS 36 - HB3 LYS 86 lone 2 60 - 3 - HG3 PRO 33 - HB3 LYS 86 lone 2 40 - 5 - HB3 GLU 142 - HB3 LYS 86 lone 1 58 - 2 - HB2 GLU 131 - HB3 LYS 86 lone 1 34 - 3 - HG2 GLU 122 - HB3 LYS 86 lone 1 53 - 2 - Peak 206 from aliabs.peaks (2.37, 2.18, 28.45 ppm; 4.34 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 2.9=100 HG3 MET 11 + HB2 GLN 25 OK 48 100 - 49 - 3.3/10664=12, 214/1.8=11...(16) HG2 GLN 25 - HB3 LYS 86 OK 29 61 - 49 - 220=9, 1.8/228=7...(23) HG3 GLU 37 - HB2 GLN 25 poor 10 81 - 12 - 214/1.8=3, 198/2.9=2, 230/2.9=1 HG3 MET 11 - HB3 LYS 86 lone 4 60 - 7 - 3.3/10664=1, 10532/8875=1 HB2 GLN 47 - HB2 GLN 25 lone 3 68 - 4 - HG3 GLU 37 - HB3 LYS 86 lone 1 43 - 2 - HB2 GLN 47 - HB3 LYS 86 lone 1 34 - 1 - Peak 207 from aliabs.peaks (2.40, 2.18, 28.45 ppm; 4.12 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLN 25 + HB2 GLN 25 OK 100 100 - 100 - 2.9=100 HB ILE 91 + HB2 GLN 25 OK 67 98 - 69 - 2.1/10939=11, 223/2.9=8...(25) HG2 MET 59 - HB2 GLN 25 OK 44 100 - 44 - 215/1.8=5, 223/2.9=5...(23) HG3 MET 59 - HB2 GLN 25 OK 42 100 - 42 - 215/1.8=5, 223/2.9=4...(21) HG2 MET 46 - HB2 GLN 25 OK 32 100 - 32 - ~10489=4, 215/1.8=4...(16) HG3 GLN 25 - HB3 LYS 86 OK 27 61 - 44 - 228=8, 1.8/220=7...(20) HB3 PRO 118 - HB2 GLN 25 OK 24 68 - 35 - 215/1.8=3, ~3951=2...(22) HG3 MET 59 - HB3 LYS 86 poor 9 61 - 14 - ~1611=1, ~1611=1 HG2 MET 59 - HB3 LYS 86 poor 8 59 - 14 - ~1611=1, ~1611=1 HG2 MET 46 - HB3 LYS 86 poor 8 60 - 12 - ~2684=1 HB3 PRO 118 - HB3 LYS 86 poor 5 34 - 15 - HB ILE 91 - HB3 LYS 86 lone 4 56 - 6 - Peak 211 from aliabs.peaks (4.06, 2.10, 28.45 ppm; 4.21 A): 3 out of 4 assignments used, quality = 1.00: * HA GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 2.9=100 HD2 PRO 33 + HB3 GLN 25 OK 84 99 - 85 - 203/1.8=13, 219/2.9=10...(33) HA LEU 26 + HB3 GLN 25 OK 70 98 - 72 - 2.9/6075=14, ~10916=14...(15) HA LYS 24 - HB3 GLN 25 OK 21 98 - 21 - 11347/4.6=8, 227/2.9=3...(5) Peak 212 from aliabs.peaks (2.18, 2.10, 28.45 ppm; 3.51 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 1.8=100 HG2 PRO 129 + HB3 GLN 25 OK 64 100 - 64 - 228/2.9=8, 220/2.9=8...(26) HB3 LYS 86 - HB3 GLN 25 OK 33 89 - 37 - 220/2.9=4, 228/2.9=4...(20) HB3 PRO 57 - HB3 GLN 25 lone 5 62 - 8 - 10916/4.6=2, 9830/9829=1 HB2 MET 113 - HB3 GLN 25 lone 2 62 - 3 - Peak 213 from aliabs.peaks (2.10, 2.10, 28.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 25 + HB3 GLN 25 OK 100 100 - 100 Peak 214 from aliabs.peaks (2.37, 2.10, 28.45 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 2.9=100 HG3 MET 11 - HB3 GLN 25 OK 44 100 - 44 - 206/1.8=9, ~10664=9...(16) HG3 GLU 37 - HB3 GLN 25 OK 10 81 - 12 - 4.4/6219=2, 206/1.8=2...(4) HB2 GLN 47 - HB3 GLN 25 lone 3 68 - 4 - Peak 215 from aliabs.peaks (2.40, 2.10, 28.45 ppm; 4.17 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 2.9=100 HB ILE 91 + HB3 GLN 25 OK 68 98 - 69 - 2.1/10938=12, 223/2.9=8...(26) HG2 MET 59 - HB3 GLN 25 OK 44 100 - 44 - 223/2.9=5, 207/1.8=5...(24) HG3 MET 59 - HB3 GLN 25 OK 42 100 - 42 - 223/2.9=4, 207/1.8=4...(22) HG2 MET 46 - HB3 GLN 25 OK 33 100 - 33 - 3.3/10489=5, 223/2.9=4...(16) HB3 PRO 118 - HB3 GLN 25 OK 24 68 - 35 - 2.3/3975=3, 1.8/3951=3...(19) Peak 219 from aliabs.peaks (4.06, 2.37, 33.42 ppm; 3.97 A): 3 out of 4 assignments used, quality = 1.00: * HA GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 3.9=100 HA LEU 26 + HG2 GLN 25 OK 72 98 - 74 - 4.8/198=15, 9775/1.8=12...(20) HD2 PRO 33 + HG2 GLN 25 OK 71 99 - 72 - 227/1.8=12, 211/2.9=10...(28) HA LYS 24 - HG2 GLN 25 OK 22 98 - 23 - 3.6/10929=11, 227/1.8=3...(6) Peak 220 from aliabs.peaks (2.18, 2.37, 33.42 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HG2 GLN 25 OK 63 100 - 63 - 228/1.8=12, 212/2.9=10...(25) HB3 LYS 86 - HG2 GLN 25 OK 35 89 - 40 - 228/1.8=6, 212/2.9=5...(16) HB3 PRO 57 - HG2 GLN 25 lone 4 62 - 7 - HB2 MET 113 - HG2 GLN 25 lone 2 62 - 4 - Peak 221 from aliabs.peaks (2.10, 2.37, 33.42 ppm; 3.86 A): 4 out of 9 assignments used, quality = 1.00: * HB3 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 33 + HG2 GLN 25 OK 81 100 - 81 - 2.3/219=14, 229/1.8=9...(38) HG3 PRO 33 + HG2 GLN 25 OK 62 77 - 81 - 2.3/219=14, 229/1.8=9...(38) HB2 PRO 129 + HG2 GLN 25 OK 47 72 - 65 - 2.3/220=11, ~228=7...(29) HG2 PRO 118 - HG2 GLN 25 OK 27 94 - 29 - ~11031=3, 229/1.8=3...(12) HB3 LYS 36 - HG2 GLN 25 OK 24 100 - 24 - 229/1.8=2, 205/2.9=2...(13) HB3 GLU 142 - HG2 GLN 25 OK 11 99 - 11 - 4851/4.9=2, 229/1.8=1...(4) HB2 GLU 131 - HG2 GLN 25 lone 6 68 - 8 - 10291/10532=2 HG2 GLU 122 - HG2 GLN 25 lone 3 94 - 3 - Peak 222 from aliabs.peaks (2.37, 2.37, 33.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 25 + HG2 GLN 25 OK 100 100 - 100 Peak 223 from aliabs.peaks (2.40, 2.37, 33.42 ppm; 2.84 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 1.8=100 HB ILE 91 + HG2 GLN 25 OK 45 98 - 46 - 2.1/10586=6, 214/2.9=3...(24) HG2 MET 59 - HG2 GLN 25 OK 25 100 - 25 - 215/2.9=2, 206/2.9=2...(10) HG3 MET 59 - HG2 GLN 25 OK 24 100 - 24 - 215/2.9=2, 206/2.9=2...(11) HG2 MET 46 - HG2 GLN 25 OK 22 100 - 22 - 3.3/1086=2, 1.8/1078=2...(9) HB3 PRO 118 - HG2 GLN 25 OK 11 68 - 16 - ~11031=2, 2.3/221=1, 215/2.9=1 Peak 227 from aliabs.peaks (4.06, 2.40, 33.42 ppm; 4.07 A): 3 out of 4 assignments used, quality = 1.00: * HA GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 3.9=100 HA LEU 26 + HG3 GLN 25 OK 75 98 - 77 - 9775=16, 2.9/6077=13...(18) HD2 PRO 33 + HG3 GLN 25 OK 73 99 - 74 - 219/1.8=12, 211/2.9=10...(29) HA LYS 24 - HG3 GLN 25 OK 23 98 - 24 - 3.6/10930=12, 219/1.8=3...(5) Peak 228 from aliabs.peaks (2.18, 2.40, 33.42 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HG3 GLN 25 OK 60 100 - 60 - 220/1.8=11, 212/2.9=9...(25) HB3 LYS 86 - HG3 GLN 25 OK 30 89 - 34 - 220/1.8=6, 212/2.9=5...(14) HB3 PRO 57 - HG3 GLN 25 lone 4 62 - 6 - HB2 MET 113 - HG3 GLN 25 lone 2 62 - 3 - Peak 229 from aliabs.peaks (2.10, 2.40, 33.42 ppm; 3.64 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 2.9=100 HG2 PRO 33 + HG3 GLN 25 OK 78 100 - 78 - 2.3/227=12, 221/1.8=9...(39) HG3 PRO 33 + HG3 GLN 25 OK 59 77 - 77 - 2.3/227=12, 221/1.8=8...(39) HB2 PRO 129 - HG3 GLN 25 OK 43 72 - 60 - 2.3/228=10, ~220=6...(29) HG2 PRO 118 - HG3 GLN 25 OK 24 94 - 26 - ~11031=3, 221/1.8=3...(10) HB3 LYS 36 - HG3 GLN 25 OK 21 100 - 21 - 221/1.8=2, 205/2.9=2...(9) HB3 GLU 142 - HG3 GLN 25 lone 10 99 - 9 - 4851/4.9=2, 221/1.8=1 HB2 GLU 131 - HG3 GLN 25 lone 4 68 - 7 - HG2 GLU 122 - HG3 GLN 25 lone 3 94 - 3 - Peak 230 from aliabs.peaks (2.37, 2.40, 33.42 ppm; 2.63 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 1.8=100 HG3 MET 11 - HG3 GLN 25 OK 17 100 - 17 - 214/2.9=3, 206/2.9=2...(8) HG3 GLU 37 - HG3 GLN 25 lone 3 81 - 4 - HB2 GLN 47 - HG3 GLN 25 lone 1 68 - 2 - Peak 231 from aliabs.peaks (2.40, 2.40, 33.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 25 + HG3 GLN 25 OK 100 100 - 100 Peak 236 from aliabs.peaks (4.06, 4.06, 57.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 26 + HA LEU 26 OK 100 100 - 100 Peak 237 from aliabs.peaks (2.08, 4.06, 57.28 ppm; 3.84 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 26 + HA LEU 26 OK 100 100 - 100 - 3.0=100 HG3 PRO 33 + HA LEU 26 OK 56 94 - 59 - 9793/3.0=8, 479=6...(23) HA ARG 35 - HA LEU 26 OK 44 81 - 54 - 3.9/10864=16, 2.8/6175=8...(16) HB3 LYS 61 - HA LEU 26 OK 24 100 - 24 - 253/3.0=3, 269/4.0=2...(11) HB2 PRO 129 - HA LEU 26 OK 24 96 - 25 - 6081/2.9=3, ~10916=3...(7) HD2 ARG 49 - HA LEU 26 OK 17 100 - 17 - 253/3.0=2, 277/3.8=2...(7) HB2 GLU 131 - HA LEU 26 OK 16 98 - 17 - 10405/10545=2...(7) HG2 GLU 122 - HA LEU 26 OK 11 77 - 14 - 253/3.0=2, 269/4.0=2...(6) HB3 GLU 142 - HA LEU 26 lone 2 62 - 3 - Peak 238 from aliabs.peaks (1.65, 4.06, 57.28 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 26 + HA LEU 26 OK 100 100 - 100 - 3.0=100 HB2 PRO 57 - HA LEU 26 OK 24 81 - 30 - 246/3.0=4, 278/3.8=4...(15) HB2 LYS 114 - HA LEU 26 OK 23 99 - 24 - 246/3.0=3, 270/4.0=3...(7) HG2 ARG 124 - HA LEU 26 poor 9 92 - 10 - 278/3.8=2, 246/3.0=2, 270/4.0=1 HG2 ARG 140 - HA LEU 26 lone 5 92 - 6 - Peak 239 from aliabs.peaks (1.69, 4.06, 57.28 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.96: * HG LEU 26 + HA LEU 26 OK 96 100 - 96 - 4.3=78, 262/3.0=24...(21) HG LEU 97 - HA LEU 26 OK 42 96 - 44 - 2.1/10545=11, 255/3.0=8...(8) HG3 ARG 141 - HA LEU 26 OK 38 94 - 40 - 10505/3.8=21, 255/3.0=6...(6) HD2 LYS 86 - HA LEU 26 OK 21 81 - 25 - 255/3.0=3, 3.0/10567=3...(10) HB3 LEU 95 - HA LEU 26 lone 6 72 - 7 - 255/3.0=1, 247/3.0=1 Peak 240 from aliabs.peaks (1.20, 4.06, 57.28 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 26 + HA LEU 26 OK 100 100 - 100 - 4.0=100 HG13 ILE 56 + HA LEU 26 OK 50 100 - 50 - 2.1/10871=14, ~10868=11...(12) HG12 ILE 56 - HA LEU 26 OK 41 85 - 48 - 2.1/10871=14, ~10868=11...(10) HB3 LEU 108 - HA LEU 26 OK 34 98 - 35 - 256/3.0=7, 280/3.8=6...(10) HB2 LEU 72 - HA LEU 26 OK 10 62 - 17 - 6084/2.9=2, 256/3.0=2...(8) QG2 THR 18 - HA LEU 26 lone 3 72 - 4 - Peak 241 from aliabs.peaks (1.08, 4.06, 57.28 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 26 + HA LEU 26 OK 100 100 - 100 - 3.8=100 Peak 244 from aliabs.peaks (4.06, 2.08, 41.95 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: * HA LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.0=100 HD2 PRO 33 + HB2 LEU 26 OK 78 89 - 88 - ~9793=16, ~10610=13...(32) HA GLN 25 + HB2 LEU 26 OK 67 98 - 69 - 3.6/6081=26, 202/4.6=12...(13) HA LYS 34 + HB2 LEU 26 OK 66 77 - 86 - ~10584=20, 4.0/246=11...(26) HA LYS 24 + HB2 LEU 26 OK 55 85 - 64 - 11347/3.9=15...(15) HA LEU 132 - HB2 LEU 26 OK 24 62 - 39 - ~4479=5, ~4487=4...(15) HA GLU 90 - HB2 LEU 26 OK 18 62 - 29 - ~10583=3, 252/1.8=3...(14) Peak 245 from aliabs.peaks (2.08, 2.08, 41.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 26 + HB2 LEU 26 OK 100 100 - 100 Peak 246 from aliabs.peaks (1.65, 2.08, 41.95 ppm; 4.66 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 1.8=100 HB2 PRO 57 - HB2 LEU 26 OK 42 81 - 51 - ~10566=8, 8262/3.2=7...(21) HB2 LYS 114 - HB2 LEU 26 OK 37 99 - 38 - 270/3.2=6, 238/3.0=6...(16) HG2 ARG 124 - HB2 LEU 26 OK 17 92 - 19 - 278/3.1=3, 270/3.2=3...(7) HG2 ARG 140 - HB2 LEU 26 lone 7 92 - 8 - 238/3.0=1, 278/3.1=1, 270/3.2=1 Peak 247 from aliabs.peaks (1.69, 2.08, 41.95 ppm; 4.79 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.0=100 HG LEU 97 + HB2 LEU 26 OK 79 96 - 82 - 255/1.8=13, 265/3.1=13...(27) HG3 ARG 141 + HB2 LEU 26 OK 60 94 - 64 - 10505/3.1=34, 255/1.8=9...(19) HD2 LYS 86 - HB2 LEU 26 OK 35 81 - 43 - 255/1.8=5, 239/3.0=4...(20) HB3 LEU 95 - HB2 LEU 26 OK 13 72 - 18 - ~9063=2, 255/1.8=2...(7) Peak 248 from aliabs.peaks (1.20, 2.08, 41.95 ppm; 5.02 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.2=100 HG13 ILE 56 + HB2 LEU 26 OK 84 100 - 84 - ~10595=27, ~10428=25...(25) HG12 ILE 56 + HB2 LEU 26 OK 71 85 - 84 - ~10595=27, ~10428=25...(25) HB3 LEU 108 + HB2 LEU 26 OK 71 98 - 73 - 256/1.8=11, ~10906=10...(24) HB2 LEU 72 - HB2 LEU 26 OK 16 62 - 25 - 256/1.8=3, 6084/3.9=3...(12) QG2 THR 18 - HB2 LEU 26 lone 3 72 - 4 - Peak 249 from aliabs.peaks (1.08, 2.08, 41.95 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 26 + HB2 LEU 26 OK 100 100 - 100 - 3.1=100 Peak 252 from aliabs.peaks (4.06, 1.65, 41.95 ppm; 4.74 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB3 LEU 26 OK 58 77 - 75 - ~10584=10, 3.6/6179=9...(28) HD2 PRO 33 + HB3 LEU 26 OK 56 89 - 64 - 2.3/9793=13, 2.3/10610=9...(23) HA GLN 25 + HB3 LEU 26 OK 51 98 - 52 - 3.6/6082=19, 202/4.6=7...(13) HA LYS 24 - HB3 LEU 26 OK 42 85 - 49 - 11347/3.9=10...(14) HA LEU 132 - HB3 LEU 26 OK 17 62 - 28 - 268/3.2=3, 4.0/10422=3...(13) HA GLU 90 - HB3 LEU 26 OK 14 62 - 22 - 244/1.8=2, 268/3.2=2...(11) Peak 253 from aliabs.peaks (2.08, 1.65, 41.95 ppm; 4.67 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 1.8=100 HG3 PRO 33 + HB3 LEU 26 OK 63 94 - 67 - 9793=15, 1.8/10610=10...(26) HA ARG 35 + HB3 LEU 26 OK 61 81 - 75 - 3.9/257=15, 2.8/6179=10...(22) HB3 LYS 61 - HB3 LEU 26 OK 35 100 - 36 - ~10584=5, 269/3.2=4...(16) HB2 PRO 129 - HB3 LEU 26 OK 31 96 - 32 - 6081/3.9=4, 237/3.0=3...(18) HD2 ARG 49 - HB3 LEU 26 OK 26 100 - 26 - ~1298=3, 269/3.2=3...(13) HB2 GLU 131 - HB3 LEU 26 OK 25 98 - 25 - ~10568=6, 269/3.2=2...(9) HG2 GLU 122 - HB3 LEU 26 OK 22 77 - 29 - ~9456=6, 269/3.2=3...(14) HB3 GLU 142 - HB3 LEU 26 lone 3 62 - 4 - Peak 254 from aliabs.peaks (1.65, 1.65, 41.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 26 + HB3 LEU 26 OK 100 100 - 100 Peak 255 from aliabs.peaks (1.69, 1.65, 41.95 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.0=100 HG LEU 97 + HB3 LEU 26 OK 61 96 - 63 - 279/3.1=8, 262=8...(24) HG3 ARG 141 - HB3 LEU 26 OK 43 94 - 46 - 10505/3.1=23, 271/3.2=6...(10) HD2 LYS 86 - HB3 LEU 26 OK 23 81 - 27 - 247/1.8=3, 239/3.0=3...(11) HB3 LEU 95 - HB3 LEU 26 poor 8 72 - 10 - ~9063=1, 271/3.2=1, 247/1.8=1 Peak 256 from aliabs.peaks (1.20, 1.65, 41.95 ppm; 4.17 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.2=100 HG13 ILE 56 + HB3 LEU 26 OK 71 100 - 71 - ~10595=18, ~10428=17...(23) HG12 ILE 56 + HB3 LEU 26 OK 60 85 - 70 - ~10595=18, ~10428=17...(23) HB3 LEU 108 + HB3 LEU 26 OK 58 98 - 59 - 280/3.1=7, ~10906=7...(22) HB2 LEU 72 - HB3 LEU 26 OK 12 62 - 19 - 248/1.8=2, 6084/3.9=2...(7) QG2 THR 18 - HB3 LEU 26 lone 3 72 - 4 - Peak 257 from aliabs.peaks (1.08, 1.65, 41.95 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 26 + HB3 LEU 26 OK 100 100 - 100 - 3.1=100 Peak 260 from aliabs.peaks (4.06, 1.69, 26.80 ppm; 5.03 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 26 + HG LEU 26 OK 100 100 - 100 - 4.3=100 HA GLN 25 + HG LEU 26 OK 51 98 - 52 - 3.6/6083=19, 4.8/239=14...(12) HD2 PRO 33 + HG LEU 26 OK 49 89 - 56 - ~9793=9, ~10610=7...(17) HA LYS 34 - HG LEU 26 OK 45 77 - 58 - ~10584=14, 268/2.1=10...(13) HA LEU 26 - HG LEU 97 OK 39 65 - 60 - 10545/2.1=14, 3.8/265=12...(8) HA LYS 24 - HG LEU 26 OK 29 85 - 33 - 11347/5.3=8, 11319/3.0=5...(8) HA LEU 132 - HG LEU 97 OK 14 33 - 42 - ~9593=5, ~9594=4...(16) HA LEU 132 - HG LEU 26 OK 13 62 - 21 - 268/2.1=4, 4.0/11464=4...(6) HA GLN 25 - HG LEU 97 OK 11 60 - 18 - 3.6/6083=7, 4.8/239=6 HA GLU 90 - HG LEU 26 poor 9 62 - 15 - 268/2.1=2, 252/3.0=2...(6) HA GLU 90 - HG LEU 97 poor 4 33 - 13 - 8958/2.1=3, 3.6/10140=2...(5) HA LYS 34 - HG LEU 97 lone 4 43 - 9 - ~9129=1, 268/271=1 HA LYS 24 - HG LEU 97 lone 3 49 - 7 - HD2 PRO 33 - HG LEU 97 lone 2 51 - 4 - Peak 261 from aliabs.peaks (2.08, 1.69, 26.80 ppm; 5.93 A): 5 out of 18 assignments used, quality = 1.00: * HB2 LEU 26 + HG LEU 26 OK 100 100 - 100 - 3.0=100 HA ARG 35 + HG LEU 26 OK 69 81 - 84 - ~10876=16, 585/2.1=15...(20) HG3 PRO 33 + HG LEU 26 OK 63 94 - 67 - 9793/3.0=14, ~10610=10...(18) HB2 LEU 26 + HG LEU 97 OK 59 65 - 91 - 3.1/265=16, ~10908=15...(28) HB3 LYS 61 + HG LEU 97 OK 57 63 - 91 - ~11426=13, ~9129=13...(38) HB3 LYS 61 - HG LEU 26 OK 45 100 - 45 - ~10584=8, 269/2.1=6...(17) HB2 PRO 129 - HG LEU 26 OK 35 96 - 36 - 253/3.0=4, 269/2.1=4...(17) HB2 GLU 131 - HG LEU 26 OK 32 98 - 32 - ~10568=11, 269/2.1=3...(10) HD2 ARG 49 - HG LEU 26 OK 31 100 - 31 - 269/2.1=4, 253/3.0=3...(14) HG2 GLU 122 - HG LEU 26 OK 30 77 - 39 - ~9456=11, ~10583=4...(15) HD2 ARG 49 - HG LEU 97 OK 23 64 - 36 - 1288/3.0=5, ~3218=4...(13) HB3 GLU 142 - HG LEU 97 OK 13 33 - 38 - 4.0/7854=9, ~9129=5...(11) HB2 GLU 131 - HG LEU 97 poor 10 60 - 16 - ~9555=2, ~9563=2...(7) HB3 GLU 142 - HG LEU 26 lone 5 62 - 8 - 4.0/7854=2 HB2 PRO 129 - HG LEU 97 lone 5 59 - 8 - ~10269=2, ~10106=1 HG3 PRO 33 - HG LEU 97 lone 4 56 - 8 - 9793/255=2 HA ARG 35 - HG LEU 97 lone 4 46 - 9 - 585/265=2, 8100/8113=1 HG2 GLU 122 - HG LEU 97 lone 3 43 - 6 - ~10107=1 Peak 262 from aliabs.peaks (1.65, 1.69, 26.80 ppm; 2.50 A): 3 out of 10 assignments used, quality = 0.80: * HB3 LEU 26 + HG LEU 26 OK 72 100 - 72 - 3.0=60, 278/2.1=7...(11) HB3 LEU 26 + HG LEU 97 OK 20 65 - 31 - 255=5, 3.1/279=4...(14) HB2 PRO 57 + HG LEU 26 OK 12 81 - 15 - 278/2.1=3, 270/2.1=3...(5) HB2 LYS 114 - HG LEU 26 lone 10 99 - 10 - 278/2.1=2, 270/2.1=2...(4) HG2 ARG 124 - HG LEU 26 lone 5 92 - 6 - 278/2.1=1, 270/2.1=1 HG2 ARG 140 - HG LEU 97 lone 3 54 - 6 - HG2 ARG 140 - HG LEU 26 lone 2 92 - 3 - HB2 PRO 57 - HG LEU 97 lone 2 46 - 3 - HB2 LYS 114 - HG LEU 97 lone 1 62 - 1 - HG2 ARG 124 - HG LEU 97 lone 1 54 - 1 - Peak 263 from aliabs.peaks (1.69, 1.69, 26.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 26 + HG LEU 26 OK 100 100 - 100 HG LEU 97 + HG LEU 97 OK 59 59 - 100 Peak 264 from aliabs.peaks (1.20, 1.69, 26.80 ppm; 4.27 A): 5 out of 12 assignments used, quality = 1.00: * QD1 LEU 26 + HG LEU 26 OK 100 100 - 100 - 2.1=100 HG13 ILE 56 + HG LEU 26 OK 76 100 - 76 - ~10595=26, ~10428=23...(20) HB3 LEU 108 + HG LEU 26 OK 66 98 - 67 - ~10906=10, 280/2.1=9...(24) HG12 ILE 56 + HG LEU 26 OK 64 85 - 75 - ~10595=26, ~10428=23...(20) QD1 LEU 26 + HG LEU 97 OK 54 65 - 83 - 10548/5.3=19, 271=13...(27) HG13 ILE 56 - HG LEU 97 OK 28 63 - 44 - ~9129=6, 1474/2.1=6...(19) HG12 ILE 56 - HG LEU 97 OK 21 49 - 43 - ~9129=6, 1467/2.1=4...(18) HB3 LEU 108 - HG LEU 97 OK 17 60 - 28 - ~11018=6, 3489/3.0=3...(11) HB2 LEU 72 - HG LEU 26 OK 13 62 - 21 - 256/3.0=2, 8112/10915=2...(10) QG2 THR 18 - HG LEU 26 lone 3 72 - 4 - HB2 LEU 72 - HG LEU 97 lone 2 33 - 5 - QG2 THR 18 - HG LEU 97 lone 1 39 - 3 - Peak 265 from aliabs.peaks (1.08, 1.69, 26.80 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 26 + HG LEU 26 OK 100 100 - 100 - 2.1=100 QD2 LEU 26 + HG LEU 97 OK 55 65 - 86 - 10558/5.3=19...(27) Peak 268 from aliabs.peaks (4.06, 1.20, 24.08 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.96: * HA LEU 26 + QD1 LEU 26 OK 93 100 - 93 - 4.0=70, 2.9/6084=16...(26) HA LYS 34 + QD1 LEU 26 OK 38 77 - 49 - 3.0/10584=11, 268=10...(14) HA GLN 25 - QD1 LEU 26 OK 34 98 - 35 - 3.6/6084=14, 4.8/240=7...(9) HD2 PRO 33 - QD1 LEU 26 OK 29 89 - 32 - 276/2.1=4, ~9793=4...(13) HA LYS 24 - QD1 LEU 26 OK 19 85 - 23 - 11347/4.8=4, 268=4...(9) HA LEU 132 - QD1 LEU 26 OK 13 62 - 20 - 4.0/10577=5, 268=4...(6) HA GLU 90 - QD1 LEU 26 poor 7 62 - 12 - 268=2, 3.8/10972=2...(5) Peak 269 from aliabs.peaks (2.08, 1.20, 24.08 ppm; 4.14 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 3.2=100 HA ARG 35 + QD1 LEU 26 OK 57 81 - 70 - 2.8/10876=14, 3.9/273=13...(21) HG3 PRO 33 - QD1 LEU 26 OK 43 94 - 46 - 9793/3.2=9, 277/2.1=5...(18) HB3 LYS 61 - QD1 LEU 26 OK 34 100 - 34 - 1.8/10584=7, 269=5...(12) HB2 PRO 129 - QD1 LEU 26 OK 24 96 - 24 - 269=4, 253/3.2=3...(7) HD2 ARG 49 - QD1 LEU 26 OK 22 100 - 22 - 269=3, 277/2.1=3...(9) HB2 GLU 131 - QD1 LEU 26 OK 21 98 - 22 - 2.9/10568=8, 277/2.1=2...(5) HG2 GLU 122 - QD1 LEU 26 OK 20 77 - 26 - 1.8/9456=5, 269=4...(11) HB3 GLU 142 - QD1 LEU 26 lone 3 62 - 4 - Peak 270 from aliabs.peaks (1.65, 1.20, 24.08 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 3.2=100 HB2 PRO 57 - QD1 LEU 26 OK 29 81 - 35 - 270=6, 278/2.1=6...(10) HB2 LYS 114 - QD1 LEU 26 OK 25 99 - 25 - 278/2.1=5, 262/2.1=3...(7) HG2 ARG 124 - QD1 LEU 26 OK 12 92 - 13 - 278/2.1=3, 262/2.1=2...(5) HG2 ARG 140 - QD1 LEU 26 lone 5 92 - 5 - 278/2.1=1 Peak 271 from aliabs.peaks (1.69, 1.20, 24.08 ppm; 3.30 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 2.1=100 HG LEU 97 + QD1 LEU 26 OK 63 96 - 65 - 271=11, 5.3/10548=10...(23) HG3 ARG 141 + QD1 LEU 26 OK 45 94 - 48 - 10505/2.1=24, 271=8...(13) HD2 LYS 86 - QD1 LEU 26 OK 20 81 - 24 - 271=3, 279/2.1=3...(10) HB3 LEU 95 - QD1 LEU 26 poor 8 72 - 11 - 3.0/9063=1, 271=1, 279/2.1=1 Peak 272 from aliabs.peaks (1.20, 1.20, 24.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 26 + QD1 LEU 26 OK 100 100 - 100 Peak 273 from aliabs.peaks (1.08, 1.20, 24.08 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 26 + QD1 LEU 26 OK 100 100 - 100 - 2.1=100 Peak 276 from aliabs.peaks (4.06, 1.08, 26.57 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 3.8=100 HA LYS 34 - QD2 LEU 26 OK 40 77 - 52 - 3.6/6187=8, ~10584=8...(16) HA GLN 25 - QD2 LEU 26 OK 36 98 - 36 - 3.6/6085=14, 268/2.1=6...(8) HD2 PRO 33 - QD2 LEU 26 OK 35 89 - 39 - 268/2.1=5, ~9793=5...(14) HA LYS 24 - QD2 LEU 26 OK 24 85 - 28 - 11347/5.0=5, 11319/3.1=4...(12) HA LEU 132 - QD2 LEU 26 OK 12 62 - 19 - 268/2.1=3, 4.0/10911=3...(8) HA GLU 90 - QD2 LEU 26 poor 7 62 - 12 - 3.0/10583=2, 268/2.1=2...(5) Peak 277 from aliabs.peaks (2.08, 1.08, 26.57 ppm; 3.72 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 3.1=100 HA ARG 35 + QD2 LEU 26 OK 49 81 - 61 - 3.9/624=9, 2.8/6187=9...(21) HG3 PRO 33 - QD2 LEU 26 OK 36 94 - 38 - 9793/3.1=7, 2.3/276=4...(14) HB3 LYS 61 - QD2 LEU 26 OK 25 100 - 25 - ~10584=4, 8275/10572=3...(8) HD2 ARG 49 - QD2 LEU 26 OK 17 100 - 17 - 269/2.1=2, 253/3.1=2...(7) HB2 PRO 129 - QD2 LEU 26 OK 17 96 - 18 - 269/2.1=2, 253/3.1=2...(5) HB2 GLU 131 - QD2 LEU 26 OK 16 98 - 16 - ~10568=4, 269/2.1=2...(5) HG2 GLU 122 - QD2 LEU 26 OK 14 77 - 18 - ~9456=4, 1.8/10583=3...(6) HB3 GLU 142 - QD2 LEU 26 lone 2 62 - 3 - Peak 278 from aliabs.peaks (1.65, 1.08, 26.57 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 3.1=100 HB2 PRO 57 - QD2 LEU 26 OK 26 81 - 32 - 3.0/10566=6, 270/2.1=5...(7) HB2 LYS 114 - QD2 LEU 26 OK 22 99 - 22 - 270/2.1=4, 262/2.1=3...(6) HG2 ARG 124 - QD2 LEU 26 OK 13 92 - 14 - 1.8/11465=2, 270/2.1=2...(7) HG2 ARG 140 - QD2 LEU 26 lone 5 92 - 5 - Peak 279 from aliabs.peaks (1.69, 1.08, 26.57 ppm; 3.16 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 2.1=100 HG LEU 97 + QD2 LEU 26 OK 61 96 - 64 - 2.1/10908=12, 265=10...(22) HG3 ARG 141 + QD2 LEU 26 OK 45 94 - 48 - 10505=28, 271/2.1=6...(11) HD2 LYS 86 - QD2 LEU 26 OK 19 81 - 23 - 271/2.1=3, 3.0/10565=2...(9) HB3 LEU 95 - QD2 LEU 26 lone 7 72 - 9 - ~9063=1, 271/2.1=1 Peak 280 from aliabs.peaks (1.20, 1.08, 26.57 ppm; 3.01 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 26 + QD2 LEU 26 OK 100 100 - 100 - 2.1=100 HG13 ILE 56 + QD2 LEU 26 OK 48 100 - 48 - 2.1/10595=23, 256/3.1=3...(18) HB3 LEU 108 + QD2 LEU 26 OK 46 98 - 47 - 1.8/10569=8, 8800/8799=6...(21) HG12 ILE 56 - QD2 LEU 26 OK 39 85 - 46 - 2.1/10595=23, 256/3.1=3...(16) HB2 LEU 72 - QD2 LEU 26 poor 8 62 - 13 - 8800/8799=1, 256/3.1=1 QG2 THR 18 - QD2 LEU 26 lone 2 72 - 3 - Peak 281 from aliabs.peaks (1.08, 1.08, 26.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 26 + QD2 LEU 26 OK 100 100 - 100 Peak 284 from aliabs.peaks (3.78, 3.78, 61.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 27 + HA TYR 27 OK 100 100 - 100 Peak 285 from aliabs.peaks (3.06, 3.78, 61.72 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: * HB2 TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 HB3 ASP 30 - HA TYR 27 OK 35 77 - 45 - 1.8/286=10, 299/3.0=6...(14) HE3 LYS 86 - HA TYR 27 OK 29 99 - 29 - 3.0/8043=6, 299/3.0=3...(13) HE2 LYS 86 - HA TYR 27 OK 28 98 - 29 - 3.0/8043=6, 299/3.0=3...(13) HE3 LYS 34 - HA TYR 27 OK 23 100 - 23 - 10567/4.9=4, 2.9/10807=3...(10) HE2 LYS 34 - HA TYR 27 OK 23 98 - 24 - 10567/4.9=4, 2.9/10807=3...(10) HB3 TRP 88 - HA TYR 27 OK 13 68 - 20 - 11014/3.7=4, 299/3.0=3...(9) Peak 286 from aliabs.peaks (2.97, 3.78, 61.72 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 HB2 ASP 30 - HA TYR 27 OK 44 100 - 45 - 293/3.0=9, 1.8/285=6...(14) HA VAL 71 - HA TYR 27 OK 20 81 - 25 - 293/3.0=4, 4551/3.7=3...(12) HB2 HIS 14 - HA TYR 27 lone 4 98 - 4 - ~137=2 Peak 287 from aliabs.peaks (7.18, 3.78, 61.72 ppm; 4.94 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.7=100 H LYS 36 + HA TYR 27 OK 77 100 - 77 - 3.9/10971=25, ~11208=20...(12) QE TYR 115 - HA TYR 27 OK 19 92 - 20 - 9832/9810=4, 9808/8044=3...(7) Peak 291 from aliabs.peaks (3.78, 3.06, 38.91 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 3.0=100 HA2 GLY 125 - HB2 TYR 27 lone 2 62 - 3 - Peak 292 from aliabs.peaks (3.06, 3.06, 38.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + HB2 TYR 27 OK 100 100 - 100 Peak 293 from aliabs.peaks (2.97, 3.06, 38.91 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 1.8=100 HB2 ASP 30 + HB2 TYR 27 OK 49 100 - 50 - 395=8, 286/3.0=6, ~399=5...(18) HA VAL 71 - HB2 TYR 27 OK 20 81 - 24 - 286/3.0=3, ~2087=3...(12) HB2 HIS 14 - HB2 TYR 27 lone 4 98 - 4 - ~137=2, ~125=1 Peak 294 from aliabs.peaks (7.18, 3.06, 38.91 ppm; 5.07 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 2.6=100 H LYS 36 + HB2 TYR 27 OK 72 100 - 72 - ~11208=28, 301/1.8=17...(11) QE TYR 115 - HB2 TYR 27 OK 11 92 - 12 - 301/1.8=4, 287/3.0=3, ~5662=3 Peak 298 from aliabs.peaks (3.78, 2.97, 38.91 ppm; 5.71 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 3.0=100 HA2 GLY 125 - HB3 TYR 27 lone 1 62 - 2 - Peak 299 from aliabs.peaks (3.06, 2.97, 38.91 ppm; 3.83 A): 1 out of 7 assignments used, quality = 1.00: * HB2 TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 1.8=100 HB3 ASP 30 - HB3 TYR 27 OK 40 77 - 53 - 3.0/389=8, ~293=7...(18) HE3 LYS 86 - HB3 TYR 27 OK 25 99 - 25 - ~8043=3, 285/3.0=3...(10) HE2 LYS 86 - HB3 TYR 27 OK 25 98 - 25 - ~8043=3, 285/3.0=3...(9) HB3 TRP 88 - HB3 TYR 27 OK 19 68 - 29 - ~11013=6, ~2832=4...(12) HE3 LYS 34 - HB3 TYR 27 OK 18 100 - 18 - 285/3.0=3, 6096/3.9=2...(8) HE2 LYS 34 - HB3 TYR 27 OK 17 98 - 18 - 285/3.0=2, 6096/3.9=2...(8) Peak 300 from aliabs.peaks (2.97, 2.97, 38.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + HB3 TYR 27 OK 100 100 - 100 Peak 301 from aliabs.peaks (7.18, 2.97, 38.91 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 2.6=100 H LYS 36 + HB3 TYR 27 OK 66 100 - 66 - 2.8/11208=30, 294/1.8=12...(12) QE TYR 115 - HB3 TYR 27 OK 14 92 - 15 - 287/3.0=3, ~5662=2...(6) Peak 305 from aliabs.peaks (4.55, 4.55, 55.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HA GLU 28 OK 100 100 - 100 Peak 306 from aliabs.peaks (2.23, 4.55, 55.40 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HG2 GLU 28 + HA GLU 28 OK 79 96 - 82 - 3.8=48, 1.8/309=21...(16) HB3 PRO 12 - HA GLU 28 OK 16 72 - 21 - 320/3.0=2, ~78=2, ~78=2...(12) HG2 GLU 37 - HA GLU 28 lone 7 85 - 8 - 10768/3.6=5, 320/3.0=1 Peak 307 from aliabs.peaks (1.86, 4.55, 55.40 ppm; 3.59 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HG LEU 69 - HA GLU 28 OK 23 100 - 23 - 8460/3.6=7, 314/3.0=3...(8) HB3 LYS 76 - HA GLU 28 OK 20 100 - 20 - 314/3.0=3, 6118/3.6=3...(8) HB2 LYS 93 - HA GLU 28 OK 15 62 - 24 - 6110/3.0=3, 314/3.0=3...(10) HB3 LYS 85 - HA GLU 28 OK 13 92 - 14 - 314/3.0=2, 6110/3.0=2...(5) HB2 LYS 48 - HA GLU 28 lone 5 81 - 7 - 335/3.8=1, 328/3.8=1, 314/3.0=1 HB3 LEU 126 - HA GLU 28 lone 4 100 - 4 - HB2 ARG 144 - HA GLU 28 lone 1 68 - 2 - Peak 308 from aliabs.peaks (2.22, 4.55, 55.40 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLU 28 + HA GLU 28 OK 96 96 - 100 - 3.0=100 * HG2 GLU 28 + HA GLU 28 OK 82 100 - 82 - 3.8=48, 1.8/309=21...(16) Peak 309 from aliabs.peaks (2.45, 4.55, 55.40 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.94: * HG3 GLU 28 + HA GLU 28 OK 94 100 - 94 - 3.8=75, 1.8/326=30...(13) HG3 GLU 131 - HA GLU 28 OK 24 100 - 24 - 323/3.0=6, 316/3.0=6...(8) HG2 MET 11 - HA GLU 28 lone 2 62 - 3 - Peak 312 from aliabs.peaks (4.55, 2.23, 29.45 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 98 - HB2 GLU 28 OK 26 100 - 26 - 319/1.8=7, 326/3.0=4...(9) HA LEU 97 - HB2 GLU 28 OK 12 72 - 16 - 319/1.8=4, 333/3.0=2...(5) Peak 313 from aliabs.peaks (2.23, 2.23, 29.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Peak 314 from aliabs.peaks (1.86, 2.23, 29.45 ppm; 3.44 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 1.8=100 HG LEU 69 - HB2 GLU 28 OK 23 100 - 23 - 8460/4.3=5, 307/3.0=3...(11) HB3 LYS 76 - HB2 GLU 28 OK 21 100 - 21 - 307/3.0=3, 328/3.0=3...(8) HB2 LYS 93 - HB2 GLU 28 OK 19 62 - 30 - 335/3.0=3, ~8054=3...(16) HB3 LYS 85 - HB2 GLU 28 OK 14 92 - 15 - 335/3.0=2, 328/3.0=2...(7) HB2 LYS 48 - HB2 GLU 28 poor 8 81 - 10 - ~8054=2, 335/3.0=2...(4) HB3 LEU 126 - HB2 GLU 28 lone 5 100 - 5 - HB2 ARG 144 - HB2 GLU 28 lone 2 68 - 3 - Peak 315 from aliabs.peaks (2.22, 2.23, 29.45 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HB2 GLU 28 + HB2 GLU 28 OK 96 96 - 100 Reference assignment not found: HG2 GLU 28 - HB2 GLU 28 Peak 316 from aliabs.peaks (2.45, 2.23, 29.45 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HG3 GLU 131 - HB2 GLU 28 OK 34 100 - 34 - 323/1.8=9, 309/3.0=6...(12) HG2 MET 11 - HB2 GLU 28 lone 3 62 - 5 - Peak 319 from aliabs.peaks (4.55, 1.86, 29.45 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HA PRO 98 - HB3 GLU 28 OK 29 100 - 28 - 312/1.8=8, 333/3.0=5...(9) HA LEU 97 - HB3 GLU 28 OK 12 72 - 17 - 312/1.8=4, 333/3.0=3...(6) Peak 320 from aliabs.peaks (2.23, 1.86, 29.45 ppm; 3.11 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 1.8=100 HG2 GLU 28 + HB3 GLU 28 OK 96 96 - 100 - 3.0=100 HB3 PRO 12 - HB3 GLU 28 OK 23 72 - 32 - ~78=4, ~78=4, ~70=3...(14) HG2 GLU 37 - HB3 GLU 28 OK 11 85 - 12 - 10768/4.3=5, 3.8/9776=3 Peak 321 from aliabs.peaks (1.86, 1.86, 29.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 Peak 322 from aliabs.peaks (2.22, 1.86, 29.45 ppm; 3.11 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 GLU 28 + HB3 GLU 28 OK 96 96 - 100 - 1.8=100 Peak 323 from aliabs.peaks (2.45, 1.86, 29.45 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HG3 GLU 131 - HB3 GLU 28 OK 34 100 - 34 - 316/1.8=9, 309/3.0=6...(12) HG2 MET 11 - HB3 GLU 28 lone 3 62 - 4 - Peak 326 from aliabs.peaks (4.55, 2.22, 36.17 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.94: * HA GLU 28 + HG2 GLU 28 OK 93 100 - 93 - 3.8=68, 309/1.8=27...(16) HA PRO 98 + HG2 GLU 28 OK 16 100 - 16 - 333/1.8=5, 312/3.0=5...(4) HA LEU 97 - HG2 GLU 28 lone 7 72 - 9 - 333/1.8=3, 319/3.0=3...(4) Peak 327 from aliabs.peaks (2.23, 2.22, 36.17 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HG2 GLU 28 + HG2 GLU 28 OK 96 96 - 100 Reference assignment not found: HB2 GLU 28 - HG2 GLU 28 Peak 328 from aliabs.peaks (1.86, 2.22, 36.17 ppm; 3.23 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LYS 93 - HG2 GLU 28 OK 16 62 - 25 - 335/1.8=4, ~8054=4...(11) HG LEU 69 - HG2 GLU 28 OK 15 100 - 15 - 335/1.8=3, 314/3.0=3...(4) HB3 LYS 76 - HG2 GLU 28 OK 15 100 - 15 - 335/1.8=3, 314/3.0=3...(5) HB3 LYS 85 - HG2 GLU 28 OK 12 92 - 12 - 335/1.8=3, 314/3.0=2...(4) HB2 LYS 48 - HG2 GLU 28 poor 9 81 - 12 - ~8054=2, 335/1.8=2...(4) HB3 LEU 126 - HG2 GLU 28 lone 4 100 - 4 - HB2 ARG 144 - HG2 GLU 28 lone 2 68 - 3 - Peak 329 from aliabs.peaks (2.22, 2.22, 36.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 330 from aliabs.peaks (2.45, 2.22, 36.17 ppm; 2.92 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 1.8=100 HG3 GLU 131 - HG2 GLU 28 OK 20 100 - 20 - 323/3.0=4, 316/3.0=4...(9) HG2 MET 11 - HG2 GLU 28 lone 2 62 - 3 - Peak 333 from aliabs.peaks (4.55, 2.45, 36.17 ppm; 3.68 A): 1 out of 3 assignments used, quality = 0.98: * HA GLU 28 + HG3 GLU 28 OK 98 100 - 98 - 3.8=88, 326/1.8=33...(13) HA PRO 98 - HG3 GLU 28 OK 19 100 - 19 - 326/1.8=6, 312/3.0=5...(4) HA LEU 97 - HG3 GLU 28 poor 8 72 - 11 - 326/1.8=3, 319/3.0=3...(4) Peak 334 from aliabs.peaks (2.23, 2.45, 36.17 ppm; 2.77 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLU 28 + HG3 GLU 28 OK 96 96 - 100 - 1.8=100 * HB2 GLU 28 + HG3 GLU 28 OK 92 100 - 92 - 3.0=82, 3.0/309=13...(13) HB3 PRO 12 - HG3 GLU 28 OK 15 72 - 21 - ~78=3, ~70=2, 320/3.0=2...(14) HG2 GLU 37 - HG3 GLU 28 lone 5 85 - 6 - 3.8/8053=2 Peak 335 from aliabs.peaks (1.86, 2.45, 36.17 ppm; 3.53 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LYS 93 - HG3 GLU 28 OK 22 62 - 35 - 2.9/8054=7, 5.1/8049=6...(12) HG LEU 69 - HG3 GLU 28 OK 19 100 - 19 - 328/1.8=4, 314/3.0=3...(8) HB3 LYS 76 - HG3 GLU 28 OK 18 100 - 18 - 328/1.8=4, 314/3.0=3...(7) HB3 LYS 85 - HG3 GLU 28 OK 14 92 - 15 - 328/1.8=3, 314/3.0=2...(6) HB2 LYS 48 - HG3 GLU 28 OK 13 81 - 15 - 2.9/8054=4, 2.9/10542=3...(6) HB3 LEU 126 - HG3 GLU 28 lone 6 100 - 6 - 3.1/9990=1, 328/1.8=1 HB2 ARG 144 - HG3 GLU 28 lone 2 68 - 3 - Peak 336 from aliabs.peaks (2.22, 2.45, 36.17 ppm; 2.77 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 1.8=100 HB2 GLU 28 + HG3 GLU 28 OK 88 96 - 92 - 3.0=82, 3.0/309=13...(13) Peak 337 from aliabs.peaks (2.45, 2.45, 36.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 Peak 340 from aliabs.peaks (3.94, 3.94, 58.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 Peak 341 from aliabs.peaks (1.53, 3.94, 58.31 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 HG3 LYS 76 + HA LEU 29 OK 52 100 - 52 - 357/2.9=7, 3.0/342=5...(24) HD2 LYS 76 - HA LEU 29 OK 38 85 - 44 - 2297/2.9=6, 3.5/342=4...(21) QB ALA 135 - HA LEU 29 OK 22 99 - 22 - 4.0/342=3, 357/2.9=2...(11) HG3 LYS 85 - HA LEU 29 OK 20 98 - 20 - 10043/3.7=3, 357/2.9=2...(8) HG2 LYS 93 - HA LEU 29 OK 11 96 - 11 - 6122/3.0=2, 357/2.9=1 HG3 PRO 57 - HA LEU 29 poor 8 62 - 13 - 357/2.9=1, ~1533=1...(8) HB2 GLU 122 - HA LEU 29 lone 5 98 - 5 - HB3 LEU 79 - HA LEU 29 lone 3 62 - 5 - ~8717=1, ~8719=1 Peak 342 from aliabs.peaks (1.48, 3.94, 58.31 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 HB2 LYS 76 - HA LEU 29 OK 40 92 - 44 - 350/2.9=6, 3.0/341=5...(22) HD3 LYS 114 - HA LEU 29 OK 34 92 - 37 - 350/2.9=6, 6132/3.6=4...(14) QB ALA 134 - HA LEU 29 OK 31 100 - 31 - 2.9/10838=5, 350/2.9=4...(12) HG13 ILE 101 - HA LEU 29 OK 17 89 - 19 - 6123/3.0=3, 350/2.9=3...(8) Peak 343 from aliabs.peaks (2.16, 3.94, 58.31 ppm; 3.61 A): 1 out of 5 assignments used, quality = 0.99: * HG LEU 29 + HA LEU 29 OK 99 100 - 99 - 3.7=94, 2.1/372=30...(21) HB3 GLN 133 - HA LEU 29 OK 36 72 - 50 - 359/2.9=5, 351/2.9=5...(19) HB2 GLN 133 - HA LEU 29 OK 34 68 - 50 - 2.9/10847=5, 359/2.9=5...(19) HG3 PRO 118 - HA LEU 29 OK 14 77 - 19 - ~10850=3, 359/2.9=3...(7) HG2 GLU 81 - HA LEU 29 lone 8 99 - 8 - 8779/2.9=2, 359/2.9=1...(4) Peak 344 from aliabs.peaks (0.92, 3.94, 58.31 ppm; 2.80 A): 3 out of 5 assignments used, quality = 0.87: * QD2 LEU 29 + HA LEU 29 OK 80 100 - 80 - 4.0=33, 371/3.0=14...(18) HB2 LEU 64 + HA LEU 29 OK 25 98 - 25 - 352/2.9=5, 360/2.9=5...(10) QG1 VAL 63 + HA LEU 29 OK 14 92 - 15 - 360/2.9=3, 352/2.9=3...(6) QG1 VAL 53 - HA LEU 29 poor 9 72 - 12 - 3.2/9840=5, 360/2.9=2...(5) HB2 LEU 108 - HA LEU 29 lone 6 98 - 7 - 352/2.9=2, 360/2.9=1...(4) Peak 345 from aliabs.peaks (0.98, 3.94, 58.31 ppm; 3.32 A): 1 out of 4 assignments used, quality = 0.93: * QD1 LEU 29 + HA LEU 29 OK 93 100 - 93 - 4.0=57, 2.1/372=28...(19) QG2 THR 51 - HA LEU 29 OK 25 89 - 28 - 361/2.9=6, 353/2.9=6...(7) HG3 ARG 35 - HA LEU 29 OK 21 62 - 34 - ~10882=7, 6126/3.0=5...(10) HB2 LEU 39 - HA LEU 29 OK 20 100 - 20 - 353/2.9=5, 361/2.9=5...(5) Peak 348 from aliabs.peaks (3.94, 1.53, 42.06 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 2.9=100 HD3 PRO 129 - HB2 LEU 29 OK 33 100 - 33 - 356/1.8=7, 364/3.0=5...(16) HA LYS 86 - HB2 LEU 29 OK 32 100 - 32 - 356/1.8=6, 380/3.1=5...(9) HA PHE 106 - HB2 LEU 29 OK 13 89 - 14 - 356/1.8=3, 372/3.2=2...(7) HA3 GLY 94 - HB2 LEU 29 lone 5 77 - 6 - 3.0/7102=1 HA ALA 60 - HB2 LEU 29 lone 3 77 - 3 - Peak 349 from aliabs.peaks (1.53, 1.53, 42.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 350 from aliabs.peaks (1.48, 1.53, 42.06 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 1.8=100 HB2 LYS 76 - HB2 LEU 29 OK 36 92 - 39 - 374/3.2=3, 382/3.1=3...(19) HD3 LYS 114 - HB2 LEU 29 OK 25 92 - 28 - 382/3.1=3, 342/2.9=3...(14) QB ALA 134 - HB2 LEU 29 OK 22 100 - 22 - 382/3.1=2, 374/3.2=2...(12) HG13 ILE 101 - HB2 LEU 29 OK 12 89 - 13 - 382/3.1=2, 342/2.9=2...(6) Peak 351 from aliabs.peaks (2.16, 1.53, 42.06 ppm; 4.00 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.0=100 HB3 GLN 133 + HB2 LEU 29 OK 51 72 - 70 - 359/1.8=8, 383/3.1=7...(30) HB2 GLN 133 + HB2 LEU 29 OK 47 68 - 70 - 359/1.8=8, ~9616=7...(30) HG3 PRO 118 - HB2 LEU 29 OK 27 77 - 35 - ~10851=5, 359/1.8=4...(14) HG2 GLU 81 - HB2 LEU 29 OK 17 99 - 17 - 8779=4, 359/1.8=2...(6) Peak 352 from aliabs.peaks (0.92, 1.53, 42.06 ppm; 2.82 A): 2 out of 5 assignments used, quality = 0.95: * QD2 LEU 29 + HB2 LEU 29 OK 91 100 - 91 - 3.2=71, 372/2.9=17...(21) HB2 LEU 64 + HB2 LEU 29 OK 44 98 - 45 - 360/1.8=7, ~10623=5...(18) QG1 VAL 63 - HB2 LEU 29 OK 22 92 - 24 - 360/1.8=4, 384/3.1=3...(8) QG1 VAL 53 - HB2 LEU 29 OK 14 72 - 19 - ~9840=3, 360/1.8=2...(7) HB2 LEU 108 - HB2 LEU 29 OK 12 98 - 12 - 360/1.8=2, 384/3.1=2...(4) Peak 353 from aliabs.peaks (0.98, 1.53, 42.06 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 HB2 LEU 39 - HB2 LEU 29 OK 36 100 - 36 - 361/1.8=6, 3.2/10978=6...(12) QG2 THR 51 - HB2 LEU 29 OK 32 89 - 36 - 361/1.8=7, 369/3.0=5...(13) HG3 ARG 35 - HB2 LEU 29 OK 20 62 - 32 - 361/1.8=5, 345/2.9=4...(16) Peak 356 from aliabs.peaks (3.94, 1.48, 42.06 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 2.9=100 HD3 PRO 129 - HB3 LEU 29 OK 37 100 - 37 - 348/1.8=7, 364/3.0=5...(16) HA LYS 86 - HB3 LEU 29 OK 34 100 - 34 - 348/1.8=7, 380/3.1=6...(10) HA PHE 106 - HB3 LEU 29 OK 15 89 - 16 - 348/1.8=3, 372/3.2=3...(8) HA3 GLY 94 - HB3 LEU 29 lone 5 77 - 7 - 348/1.8=1, ~7102=1 HA ALA 60 - HB3 LEU 29 lone 3 77 - 4 - Peak 357 from aliabs.peaks (1.53, 1.48, 42.06 ppm; 2.63 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 1.8=100 HG3 LYS 76 + HB3 LEU 29 OK 59 100 - 59 - 2286=8, ~8075=4...(29) HD2 LYS 76 - HB3 LEU 29 OK 42 85 - 49 - 2297=4, 1.8/2308=4...(26) QB ALA 135 - HB3 LEU 29 OK 20 99 - 20 - 2.9/7733=4, 9655/3.0=2...(10) HG3 LYS 85 - HB3 LEU 29 OK 18 98 - 18 - ~10042=4, 10043/3.0=2...(7) HG2 LYS 93 - HB3 LEU 29 OK 10 96 - 10 - 2286=1 HG3 PRO 57 - HB3 LEU 29 poor 8 62 - 13 - ~1533=1 HB2 GLU 122 - HB3 LEU 29 lone 5 98 - 4 - HB3 LEU 79 - HB3 LEU 29 lone 2 62 - 3 - ~8737=1 Peak 358 from aliabs.peaks (1.48, 1.48, 42.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 Peak 359 from aliabs.peaks (2.16, 1.48, 42.06 ppm; 4.08 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.0=100 HB3 GLN 133 + HB3 LEU 29 OK 55 72 - 76 - 3.0/9614=10, 351/1.8=8...(34) HB2 GLN 133 + HB3 LEU 29 OK 51 68 - 76 - 3.0/9614=10, 351/1.8=8...(34) HG3 PRO 118 - HB3 LEU 29 OK 30 77 - 39 - ~10851=5, 351/1.8=4...(14) HG2 GLU 81 - HB3 LEU 29 OK 15 99 - 15 - 8779/1.8=3, 383/3.1=2...(5) Peak 360 from aliabs.peaks (0.92, 1.48, 42.06 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.2=100 HB2 LEU 64 + HB3 LEU 29 OK 57 98 - 59 - 3.1/10623=13, 352/1.8=10...(23) QG1 VAL 63 - HB3 LEU 29 OK 32 92 - 34 - 352/1.8=5, 384/3.1=4...(14) QG1 VAL 53 - HB3 LEU 29 OK 19 72 - 27 - ~9840=4, 352/1.8=3...(14) HB2 LEU 108 - HB3 LEU 29 OK 16 98 - 16 - 352/1.8=3, 384/3.1=2...(5) Peak 361 from aliabs.peaks (0.98, 1.48, 42.06 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 HB2 LEU 39 - HB3 LEU 29 OK 40 100 - 40 - 353/1.8=7, 369/3.0=5...(15) QG2 THR 51 - HB3 LEU 29 OK 35 89 - 40 - 353/1.8=7, 369/3.0=6...(13) HG3 ARG 35 - HB3 LEU 29 OK 22 62 - 36 - 353/1.8=5, 345/2.9=4...(16) Peak 364 from aliabs.peaks (3.94, 2.16, 26.52 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.7=100 HD3 PRO 129 - HG LEU 29 OK 44 100 - 44 - 3.8/10263=16, 380/2.1=7...(8) HA LYS 86 - HG LEU 29 OK 43 100 - 43 - ~8875=10, 380/2.1=9...(9) HA PHE 106 - HG LEU 29 OK 20 89 - 22 - 3.0/10833=4, ~10834=4...(7) HA3 GLY 94 - HG LEU 29 lone 5 77 - 7 - 348/3.0=1, 380/2.1=1...(4) HA ALA 60 - HG LEU 29 lone 4 77 - 5 - Peak 365 from aliabs.peaks (1.53, 2.16, 26.52 ppm; 4.18 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 HG3 LYS 76 + HG LEU 29 OK 88 100 - 88 - ~8075=17, ~8074=16...(42) HD2 LYS 76 + HG LEU 29 OK 69 85 - 81 - ~8075=12, ~8074=11...(33) HG3 LYS 85 + HG LEU 29 OK 46 98 - 47 - 1.8/10042=19, 10043=6...(14) QB ALA 135 - HG LEU 29 OK 42 99 - 43 - ~10835=5, 4.0/366=5...(14) HG2 LYS 93 - HG LEU 29 OK 20 96 - 21 - 381/2.1=2, 373/2.1=2...(8) HG3 PRO 57 - HG LEU 29 OK 18 62 - 29 - ~10842=4, ~10843=4...(13) HB2 GLU 122 - HG LEU 29 OK 10 98 - 10 - 373/2.1=1 HB3 LEU 79 - HG LEU 29 poor 8 62 - 12 - ~8737=6, ~10841=2 Peak 366 from aliabs.peaks (1.48, 2.16, 26.52 ppm; 4.33 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 HB2 LYS 76 + HG LEU 29 OK 77 92 - 84 - ~8075=13, ~8074=12...(35) HD3 LYS 114 + HG LEU 29 OK 53 92 - 58 - 382/2.1=9, 374/2.1=9...(19) QB ALA 134 + HG LEU 29 OK 53 100 - 53 - 2.9/10833=10, ~10834=8...(13) HG13 ILE 101 - HG LEU 29 OK 28 89 - 31 - 382/2.1=5, 374/2.1=5...(12) Peak 367 from aliabs.peaks (2.16, 2.16, 26.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 Peak 368 from aliabs.peaks (0.92, 2.16, 26.52 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 + HG LEU 29 OK 54 98 - 55 - 384/2.1=9, 352/3.0=7...(21) QG1 VAL 63 - HG LEU 29 OK 33 92 - 36 - 384/2.1=6, 360/3.0=4...(16) QG1 VAL 53 - HG LEU 29 OK 21 72 - 29 - 3.2/9769=4, 384/2.1=3...(14) HB2 LEU 108 - HG LEU 29 OK 18 98 - 19 - 384/2.1=3, 352/3.0=2...(8) Peak 369 from aliabs.peaks (0.98, 2.16, 26.52 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 HB2 LEU 39 - HG LEU 29 OK 42 100 - 42 - ~11472=6, ~10965=6...(13) QG2 THR 51 - HG LEU 29 OK 39 89 - 44 - 377/2.1=7, 361/3.0=6...(13) HG3 ARG 35 - HG LEU 29 OK 22 62 - 35 - 377/2.1=5, 361/3.0=4...(14) Peak 372 from aliabs.peaks (3.94, 0.92, 23.00 ppm; 2.63 A): 3 out of 6 assignments used, quality = 0.82: * HA LEU 29 + QD2 LEU 29 OK 74 100 - 74 - 4.0=28, 3.0/371=12...(18) HA LYS 86 + QD2 LEU 29 OK 18 100 - 18 - 3.0/8875=6, 380/2.1=4...(5) HD3 PRO 129 + QD2 LEU 29 OK 14 100 - 15 - 380/2.1=3, 364/2.1=3...(6) HA PHE 106 - QD2 LEU 29 lone 8 89 - 9 - 3.0/10834=2, 380/2.1=1 HA3 GLY 94 - QD2 LEU 29 lone 2 77 - 3 - HA ALA 60 - QD2 LEU 29 lone 2 77 - 2 - Peak 373 from aliabs.peaks (1.53, 0.92, 23.00 ppm; 2.99 A): 3 out of 9 assignments used, quality = 0.99: * HB2 LEU 29 + QD2 LEU 29 OK 96 100 - 96 - 3.2=85, 2.9/372=18...(20) HG3 LYS 76 + QD2 LEU 29 OK 65 100 - 65 - 1.8/8074=15, ~8075=8...(28) HD2 LYS 76 + QD2 LEU 29 OK 47 85 - 55 - 3.0/8074=11, 381/2.1=5...(26) QB ALA 135 - QD2 LEU 29 OK 25 99 - 25 - 381/2.1=3, 4.0/374=3...(10) HG3 LYS 85 - QD2 LEU 29 OK 21 98 - 22 - ~10042=6, 10043/2.1=3...(6) HG2 LYS 93 - QD2 LEU 29 OK 12 96 - 12 - 3.0/10842=2, 381/2.1=1 HG3 PRO 57 - QD2 LEU 29 OK 11 62 - 18 - 2.3/10842=3, ~10843=2...(7) HB2 GLU 122 - QD2 LEU 29 lone 6 98 - 6 - HB3 LEU 79 - QD2 LEU 29 lone 4 62 - 7 - ~8737=3, 3.0/10841=2 Peak 374 from aliabs.peaks (1.48, 0.92, 23.00 ppm; 2.93 A): 2 out of 5 assignments used, quality = 0.97: * HB3 LEU 29 + QD2 LEU 29 OK 95 100 - 95 - 3.2=80, 2.9/372=18...(21) HB2 LYS 76 + QD2 LEU 29 OK 51 92 - 55 - 3.0/8074=10, 382/2.1=6...(24) QB ALA 134 - QD2 LEU 29 OK 32 100 - 32 - 2.9/10834=5, 382/2.1=5...(17) HD3 LYS 114 - QD2 LEU 29 OK 31 92 - 34 - 382/2.1=5, 366/2.1=4...(17) HG13 ILE 101 - QD2 LEU 29 OK 15 89 - 17 - 382/2.1=3, 366/2.1=2...(5) Peak 375 from aliabs.peaks (2.16, 0.92, 23.00 ppm; 2.82 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 HB3 GLN 133 - QD2 LEU 29 OK 33 72 - 46 - 383/2.1=5, 2.9/8066=4...(22) HB2 GLN 133 - QD2 LEU 29 OK 31 68 - 45 - 383/2.1=4, 2.9/8066=4...(21) HG3 PRO 118 - QD2 LEU 29 OK 19 77 - 25 - 2.3/10851=6, 2.3/8066=4...(9) HG2 GLU 81 - QD2 LEU 29 lone 9 99 - 9 - 383/2.1=1, 8779/3.2=1 Peak 376 from aliabs.peaks (0.92, 0.92, 23.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 377 from aliabs.peaks (0.98, 0.92, 23.00 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 QG2 THR 51 - QD2 LEU 29 OK 24 89 - 27 - 369/2.1=4, 2.1/8059=4...(11) HB2 LEU 39 - QD2 LEU 29 OK 19 100 - 19 - 369/2.1=4, 353/3.2=3...(10) HG3 ARG 35 - QD2 LEU 29 OK 12 62 - 20 - 369/2.1=3, 361/3.2=2...(12) Peak 380 from aliabs.peaks (3.94, 0.98, 25.10 ppm; 3.50 A): 1 out of 6 assignments used, quality = 0.96: * HA LEU 29 + QD1 LEU 29 OK 96 100 - 96 - 4.0=66, 372/2.1=29...(19) HA LYS 86 - QD1 LEU 29 OK 36 100 - 37 - 372/2.1=7, ~8875=6...(11) HD3 PRO 129 - QD1 LEU 29 OK 29 100 - 29 - 380=7, 364/2.1=6...(6) HA PHE 106 - QD1 LEU 29 OK 13 89 - 14 - 372/2.1=3, ~10834=2...(7) HA3 GLY 94 - QD1 LEU 29 lone 4 77 - 5 - HA ALA 60 - QD1 LEU 29 lone 3 77 - 4 - Peak 381 from aliabs.peaks (1.53, 0.98, 25.10 ppm; 3.09 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 3.1=98, 352/2.1=17...(20) HG3 LYS 76 + QD1 LEU 29 OK 71 100 - 71 - 1.8/8075=17, 381=11...(30) HD2 LYS 76 + QD1 LEU 29 OK 53 85 - 63 - 3.0/8075=12, 381=9...(27) QB ALA 135 - QD1 LEU 29 OK 30 99 - 30 - 381=4, 2.9/10835=3...(11) HG3 LYS 85 - QD1 LEU 29 OK 28 98 - 28 - ~10042=7, 381=4...(8) HG2 LYS 93 - QD1 LEU 29 OK 14 96 - 14 - 381=2, 3.0/10843=2...(6) HG3 PRO 57 - QD1 LEU 29 OK 12 62 - 20 - 2.3/10843=3, 381=3...(8) HB2 GLU 122 - QD1 LEU 29 lone 6 98 - 6 - HB3 LEU 79 - QD1 LEU 29 lone 5 62 - 8 - 3.1/8737=4, ~10841=1 Peak 382 from aliabs.peaks (1.48, 0.98, 25.10 ppm; 3.06 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 99 100 - 99 - 3.1=95, 374/2.1=17...(23) HB2 LYS 76 + QD1 LEU 29 OK 53 92 - 57 - 3.0/8075=12, 374/2.1=7...(24) QB ALA 134 - QD1 LEU 29 OK 38 100 - 38 - 382=8, 374/2.1=5...(17) HD3 LYS 114 - QD1 LEU 29 OK 38 92 - 42 - 382=9, 374/2.1=6...(16) HG13 ILE 101 - QD1 LEU 29 OK 20 89 - 22 - 382=5, 374/2.1=3...(7) Peak 383 from aliabs.peaks (2.16, 0.98, 25.10 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 HB3 GLN 133 - QD1 LEU 29 OK 38 72 - 53 - 383=8, 3.0/9616=8...(21) HB2 GLN 133 - QD1 LEU 29 OK 36 68 - 53 - 3.0/9616=8, 383=8...(21) HG3 PRO 118 - QD1 LEU 29 OK 20 77 - 27 - ~10851=4, 2.3/8060=4...(10) HG2 GLU 81 - QD1 LEU 29 OK 11 99 - 11 - 375/2.1=2, 8779/3.1=2...(5) Peak 384 from aliabs.peaks (0.92, 0.98, 25.10 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - QD1 LEU 29 OK 41 98 - 42 - 384=8, 368/2.1=4...(17) QG1 VAL 63 - QD1 LEU 29 OK 26 92 - 28 - 384=3, 368/2.1=3...(12) HB2 LEU 108 - QD1 LEU 29 OK 13 98 - 13 - 384=2, 368/2.1=2...(5) QG1 VAL 53 - QD1 LEU 29 OK 12 72 - 17 - 3.2/8060=2, 368/2.1=2...(7) Peak 385 from aliabs.peaks (0.98, 0.98, 25.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 Peak 386 from aliabs.peaks (7.30, 0.98, 25.10 ppm; 5.43 A): 3 out of 3 assignments used, quality = 0.99: * H ASP 30 + QD1 LEU 29 OK 90 100 - 90 - 6129/4.6=30, 3.6/345=27...(11) QD TYR 115 + QD1 LEU 29 OK 78 99 - 79 - ~9356=15, 386=14...(19) H PHE 67 + QD1 LEU 29 OK 70 100 - 70 - 3.6/10529=20, 8407=12...(19) Peak 388 from aliabs.peaks (4.39, 4.39, 53.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 30 + HA ASP 30 OK 100 100 - 100 Peak 389 from aliabs.peaks (2.97, 4.39, 53.18 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 30 + HA ASP 30 OK 100 100 - 100 - 3.0=100 HB3 TYR 27 - HA ASP 30 OK 36 100 - 36 - 1.8/390=6, 399/3.0=5...(15) HA VAL 71 - HA ASP 30 lone 5 92 - 5 - 6137/3.0=1 HB2 HIS 14 - HA ASP 30 lone 4 100 - 4 - Peak 390 from aliabs.peaks (3.07, 4.39, 53.18 ppm; 3.26 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 30 + HA ASP 30 OK 100 100 - 100 - 3.0=100 HB2 TYR 27 - HA ASP 30 OK 25 77 - 33 - 1.8/389=8, 395/3.0=5...(15) HE2 LYS 86 - HA ASP 30 OK 24 94 - 26 - 398=5, 1.8/398=4...(11) HE3 LYS 86 - HA ASP 30 OK 24 92 - 26 - 398=5, 1.8/398=5...(11) HD3 ARG 49 - HA ASP 30 lone 5 94 - 5 - HE3 LYS 34 - HA ASP 30 lone 4 72 - 5 - 6138/3.0=1 HB3 TRP 88 - HA ASP 30 lone 3 100 - 3 - HA2 GLY 78 - HA ASP 30 lone 1 92 - 1 - HB3 HIS 10 - HA ASP 30 lone 0 72 - 1 - Peak 393 from aliabs.peaks (4.39, 2.97, 42.06 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 30 + HB2 ASP 30 OK 100 100 - 100 - 3.0=100 HA ASN 96 - HB2 ASP 30 lone 4 72 - 5 - 6142/4.4=1 Peak 394 from aliabs.peaks (2.97, 2.97, 42.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 30 + HB2 ASP 30 OK 100 100 - 100 Peak 395 from aliabs.peaks (3.07, 2.97, 42.06 ppm; 2.91 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 30 + HB2 ASP 30 OK 100 100 - 100 - 1.8=100 HB2 TYR 27 - HB2 ASP 30 OK 25 77 - 32 - 293=4, 3.0/286=4, ~399=3...(16) HE2 LYS 86 - HB2 ASP 30 OK 20 94 - 21 - 399=4, 398/3.0=3...(8) HE3 LYS 86 - HB2 ASP 30 OK 19 92 - 21 - 399=4, 1.8/399=3...(8) HD3 ARG 49 - HB2 ASP 30 lone 4 94 - 4 - HB3 TRP 88 - HB2 ASP 30 lone 3 100 - 3 - HE3 LYS 34 - HB2 ASP 30 lone 2 72 - 3 - HA2 GLY 78 - HB2 ASP 30 lone 1 92 - 1 - HB3 HIS 10 - HB2 ASP 30 lone 0 72 - 0 - Peak 398 from aliabs.peaks (4.39, 3.07, 42.06 ppm; 3.77 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 30 + HB3 ASP 30 OK 100 100 - 100 - 3.0=100 HA ASP 30 - HE2 LYS 86 OK 26 81 - 33 - 390=6, 390/1.8=5...(11) HA ASP 30 - HE3 LYS 86 OK 24 73 - 33 - 390=6, 390/1.8=6...(11) HA ASN 96 - HB3 ASP 30 lone 4 72 - 5 - 393/1.8=1, 6142/4.4=1 HA ASN 96 - HE2 LYS 86 lone 1 51 - 3 - ~7126=2 HA ASN 96 - HE3 LYS 86 lone 1 46 - 3 - ~7126=2 Peak 399 from aliabs.peaks (2.97, 3.07, 42.06 ppm; 2.63 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ASP 30 + HB3 ASP 30 OK 100 100 - 100 - 1.8=100 HB3 TYR 27 - HB3 ASP 30 OK 28 100 - 28 - 299=4, 389/3.0=4, ~293=3...(14) HB2 ASP 30 - HE2 LYS 86 OK 15 81 - 18 - 395=4, 395/1.8=3...(6) HB2 ASP 30 - HE3 LYS 86 OK 13 73 - 18 - 395=4, 395/1.8=3...(7) HB3 TYR 27 - HE2 LYS 86 poor 9 79 - 11 - 299/1.8=2, 299=1, ~8043=1 HB3 TYR 27 - HE3 LYS 86 poor 8 72 - 11 - 299/1.8=2, 299=2, ~8043=1 HA VAL 71 - HB3 ASP 30 lone 4 92 - 4 - HB2 HIS 14 - HB3 ASP 30 lone 2 100 - 2 - HA VAL 71 - HE2 LYS 86 lone 1 69 - 1 - HA VAL 71 - HE3 LYS 86 lone 1 62 - 1 - HB2 HIS 14 - HE2 LYS 86 lone 0 80 - 0 - HB2 HIS 14 - HE3 LYS 86 lone 0 73 - 0 - Peak 400 from aliabs.peaks (3.07, 3.07, 42.06 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 30 + HB3 ASP 30 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 71 71 - 100 HE3 LYS 86 + HE3 LYS 86 OK 62 62 - 100 Peak 403 from aliabs.peaks (3.61, 3.61, 44.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 31 + HA2 GLY 31 OK 100 100 - 100 Peak 404 from aliabs.peaks (4.47, 3.61, 44.43 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 31 + HA2 GLY 31 OK 100 100 - 100 - 1.8=100 HA SER 103 - HA2 GLY 31 OK 22 99 - 22 - 6146/3.0=4, 3.0/402=4...(11) HA ASP 137 - HA2 GLY 31 lone 6 100 - 6 - 6151/3.5=2, 6146/3.0=1 HA ASP 41 - HA2 GLY 31 lone 2 98 - 2 - HA SER 44 - HA2 GLY 31 lone 2 89 - 2 - Peak 407 from aliabs.peaks (3.61, 4.47, 44.43 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 31 + HA3 GLY 31 OK 100 100 - 100 - 1.8=100 HA ARG 109 - HA3 GLY 31 lone 9 99 - 9 - ~3531=2, ~3541=2...(6) HA LYS 61 - HA3 GLY 31 lone 2 98 - 2 - ~1661=1 Peak 408 from aliabs.peaks (4.47, 4.47, 44.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 31 + HA3 GLY 31 OK 100 100 - 100 Peak 411 from aliabs.peaks (4.64, 4.64, 52.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 32 + HA ASP 32 OK 100 100 - 100 Peak 412 from aliabs.peaks (2.69, 4.64, 52.22 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 32 + HA ASP 32 OK 100 100 - 100 - 3.0=100 HB3 TYR 115 - HA ASP 32 OK 44 100 - 44 - ~10812=8, 6153/3.0=7...(14) HB2 ASP 137 - HA ASP 32 OK 20 100 - 20 - 10351=3, 420/3.0=3...(10) HB2 PHE 43 - HA ASP 32 OK 10 94 - 10 - 420/3.0=2, 6153/3.0=1 Peak 413 from aliabs.peaks (2.89, 4.64, 52.22 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 32 + HA ASP 32 OK 100 100 - 100 - 3.0=100 Peak 415 from aliabs.peaks (4.64, 2.69, 42.22 ppm; 4.02 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 32 + HB2 ASP 32 OK 100 100 - 100 - 3.0=100 HA LEU 87 - HB2 ASP 32 OK 16 94 - 17 - 419/1.8=4, 422/4.8=2...(9) HA ASN 139 - HB2 ASP 32 OK 16 99 - 16 - 419/1.8=3, 422/4.8=2...(7) HA ASP 16 - HB2 ASP 32 OK 12 81 - 14 - 419/1.8=2, 152=2...(8) HA GLN 62 - HB2 ASP 32 poor 10 96 - 10 - 419/1.8=2, 3.0/9785=2...(5) HA PRO 129 - HB2 ASP 32 poor 9 72 - 12 - 422/4.8=2, 424/4.8=2...(5) Peak 416 from aliabs.peaks (2.69, 2.69, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 32 + HB2 ASP 32 OK 100 100 - 100 Peak 417 from aliabs.peaks (2.89, 2.69, 42.22 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 32 + HB2 ASP 32 OK 100 100 - 100 - 1.8=100 Peak 419 from aliabs.peaks (4.64, 2.89, 42.22 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 32 + HB3 ASP 32 OK 100 100 - 100 - 3.0=100 HA LEU 87 - HB3 ASP 32 OK 19 94 - 21 - 415/1.8=5, 422/4.8=3...(9) HA ASN 139 - HB3 ASP 32 OK 17 99 - 17 - 415/1.8=4, 422/4.8=3...(8) HA ASP 16 - HB3 ASP 32 OK 12 81 - 15 - 415/1.8=3, 3.0/420=3...(8) HA GLN 62 - HB3 ASP 32 OK 12 96 - 12 - 415/1.8=3, 3.0/9784=2...(5) HA PRO 129 - HB3 ASP 32 OK 10 72 - 14 - 422/4.8=3, 424/4.8=3...(6) Peak 420 from aliabs.peaks (2.69, 2.89, 42.22 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 32 + HB3 ASP 32 OK 100 100 - 100 - 1.8=100 HB3 TYR 115 - HB3 ASP 32 OK 30 100 - 31 - 412/3.0=6, 6153/4.0=5...(10) HB2 ASP 137 - HB3 ASP 32 OK 13 100 - 12 - 412/3.0=3, 6153/4.0=2...(7) HB2 PHE 43 - HB3 ASP 32 lone 8 94 - 8 - 412/3.0=2, ~985=1 Peak 421 from aliabs.peaks (2.89, 2.89, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 32 + HB3 ASP 32 OK 100 100 - 100 Peak 422 from aliabs.peaks (4.64, 4.05, 51.07 ppm; 3.46 A): 1 out of 6 assignments used, quality = 0.94: * HA ASP 32 + HD2 PRO 33 OK 94 100 - 94 - 3.8=77, 425/1.8=32...(12) HA PRO 129 - HD2 PRO 33 OK 15 72 - 21 - 10525/2.3=4, 424/1.8=4...(8) HA ASN 139 - HD2 PRO 33 OK 15 99 - 15 - 424/1.8=3, 10358/2.3=3...(6) HA LEU 87 - HD2 PRO 33 OK 15 94 - 16 - 424/1.8=4, 10810/2.3=3...(6) HA GLN 62 - HD2 PRO 33 lone 9 96 - 9 - 424/1.8=2, 10525/2.3=1, 30/3.0=1 HA ASP 16 - HD2 PRO 33 lone 5 81 - 7 - 424/1.8=1 Peak 423 from aliabs.peaks (4.05, 4.64, 52.22 ppm; 3.27 A): 4 out of 4 assignments used, quality = 0.93: * HD2 PRO 33 + HA ASP 32 OK 89 100 - 89 - 3.8=65, 1.8/425=30...(11) HA GLN 25 + HA ASP 32 OK 18 99 - 18 - 439/3.8=5, 8085/3.0=3...(5) HA LEU 26 + HA ASP 32 OK 15 89 - 17 - 439/3.8=3, 8089/3.0=2...(6) HA LYS 24 + HA ASP 32 OK 12 100 - 12 - 439/3.8=3, 447/4.8=2...(4) Peak 424 from aliabs.peaks (4.64, 4.09, 51.07 ppm; 3.32 A): 4 out of 6 assignments used, quality = 0.94: * HA ASP 32 + HD3 PRO 33 OK 90 100 - 90 - 3.8=69, 423/1.8=29...(12) HA PRO 129 + HD3 PRO 33 OK 14 72 - 19 - 10525/2.3=4, 422/1.8=3...(7) HA LEU 87 + HD3 PRO 33 OK 13 94 - 14 - 422/1.8=4, 10810/2.3=3...(6) HA ASN 139 + HD3 PRO 33 OK 13 99 - 13 - 422/1.8=3, 10358/2.3=3...(5) HA GLN 62 - HD3 PRO 33 lone 8 96 - 8 - 422/1.8=2, 10525/2.3=1, 30/3.0=1 HA ASP 16 - HD3 PRO 33 lone 5 81 - 6 - 422/1.8=1, 3.0/10989=1 Peak 425 from aliabs.peaks (4.09, 4.64, 52.22 ppm; 3.30 A): 3 out of 5 assignments used, quality = 0.93: * HD3 PRO 33 + HA ASP 32 OK 90 100 - 90 - 3.8=67, 1.8/423=29...(12) HD3 PRO 118 + HA ASP 32 OK 21 98 - 21 - 432/3.8=5, 448/4.8=3...(8) HA PRO 52 + HA ASP 32 OK 13 89 - 14 - 432/3.8=5, 448/4.8=3 HB THR 110 - HA ASP 32 poor 10 72 - 14 - 2.1/9293=5, 432/3.8=1...(5) HA VAL 53 - HA ASP 32 poor 8 68 - 12 - ~10806=3, 432/3.8=2...(4) Peak 426 from aliabs.peaks (4.41, 4.05, 51.07 ppm; 4.99 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD2 PRO 33 OK 76 99 - 77 - 434/1.8=18, 474/2.3=18...(14) HA ASP 40 - HD2 PRO 33 poor 9 72 - 11 - 10526/3.8=2, 434/1.8=2...(5) Peak 427 from aliabs.peaks (2.04, 4.05, 51.07 ppm; 3.72 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 3.0=100 HB3 LYS 34 + HD2 PRO 33 OK 80 92 - 88 - 4.1/6161=14, 475/2.3=13...(41) HB2 PRO 52 - HD2 PRO 33 OK 42 62 - 67 - 2.3/432=10, ~1357=7...(35) HG2 PRO 98 - HD2 PRO 33 OK 22 96 - 23 - 435/1.8=4, 475/2.3=3...(11) HB2 GLU 37 - HD2 PRO 33 poor 8 72 - 11 - ~10515=2, 435/1.8=2 HB3 GLU 37 - HD2 PRO 33 poor 7 62 - 10 - ~10515=2, 435/1.8=1, ~435=1 Peak 428 from aliabs.peaks (2.43, 4.05, 51.07 ppm; 4.38 A): 5 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 3.0=100 HG2 MET 11 + HD2 PRO 33 OK 67 96 - 70 - 468/2.3=8, 476/2.3=8...(29) HG2 MET 68 + HD2 PRO 33 OK 67 100 - 67 - ~1980=8, 468/2.3=8...(26) HG3 GLN 47 + HD2 PRO 33 OK 47 89 - 53 - 436/1.8=5, ~10678=5...(26) HG2 GLN 47 + HD2 PRO 33 OK 47 89 - 53 - 436/1.8=5, ~10678=5...(26) QE MET 46 - HD2 PRO 33 OK 16 77 - 21 - 10489/2.3=4, ~10715=3...(7) HG2 GLN 133 - HD2 PRO 33 poor 9 72 - 12 - 10680/1.8=1 HG3 GLN 133 - HD2 PRO 33 poor 8 68 - 12 - 10680/1.8=1 Peak 429 from aliabs.peaks (2.10, 4.05, 51.07 ppm; 3.38 A): 4 out of 10 assignments used, quality = 1.00: * HG2 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HD2 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HD2 PRO 33 OK 73 100 - 73 - 211=14, 1.8/203=11...(31) HG2 PRO 118 + HD2 PRO 33 OK 63 92 - 68 - 2.3/432=8, 437/1.8=5...(35) HB3 LYS 36 - HD2 PRO 33 OK 43 100 - 43 - 10791/3.6=12...(15) HB3 GLU 142 - HD2 PRO 33 OK 20 100 - 20 - 10380/3.8=4, 4851/4.8=2...(5) HB2 PRO 129 - HD2 PRO 33 OK 18 77 - 24 - ~10525=4, 2.3/422=3...(7) HB2 GLU 131 - HD2 PRO 33 OK 17 72 - 23 - ~4449=2, 4445/3.0=2...(12) HG2 GLU 122 - HD2 PRO 33 OK 15 96 - 15 - ~10997=2, ~10994=2...(7) HB3 LYS 61 - HD2 PRO 33 poor 9 62 - 14 - 4.8/9787=3, 4.8/9787=3, ~1663=1 Peak 430 from aliabs.peaks (2.09, 4.05, 51.07 ppm; 3.38 A): 3 out of 11 assignments used, quality = 1.00: * HG3 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HD2 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HD2 PRO 33 OK 55 77 - 71 - 1.8/203=11, 211=9...(32) HB2 LEU 26 - HD2 PRO 33 OK 44 94 - 47 - ~9793=5, 3.9/6073=4...(22) HB3 LYS 36 - HD2 PRO 33 OK 28 72 - 38 - 10791/3.6=7, 3.0/10789=7...(15) HB2 GLU 131 - HD2 PRO 33 OK 26 100 - 26 - 4445/3.0=3, 438/1.8=2...(14) HB2 PRO 129 - HD2 PRO 33 OK 26 100 - 26 - ~10525=4, 2.3/422=3...(9) HB3 GLU 142 - HD2 PRO 33 OK 17 92 - 19 - 10380/3.8=3, 4851/4.8=2...(5) HG2 GLU 122 - HD2 PRO 33 OK 15 98 - 15 - ~10997=2, ~10994=2...(7) HB3 LYS 61 - HD2 PRO 33 OK 15 99 - 15 - 4.8/9787=3, 4.8/9787=3...(4) HD2 ARG 49 - HD2 PRO 33 lone 8 96 - 8 - 9772/3.8=1 Peak 431 from aliabs.peaks (4.05, 4.05, 51.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 33 + HD2 PRO 33 OK 100 100 - 100 Peak 432 from aliabs.peaks (4.09, 4.05, 51.07 ppm; 3.26 A): 3 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HD2 PRO 33 OK 100 100 - 100 - 1.8=100 HD3 PRO 118 + HD2 PRO 33 OK 63 98 - 65 - 480/2.3=9, 472/2.3=9...(32) HA PRO 52 + HD2 PRO 33 OK 46 89 - 52 - 480/2.3=8, 472/2.3=8...(20) HA VAL 53 - HD2 PRO 33 OK 22 68 - 33 - 472/2.3=4, 480/2.3=4...(18) HB THR 110 - HD2 PRO 33 OK 13 72 - 18 - 2.8/422=3, ~424=2...(9) Peak 434 from aliabs.peaks (4.41, 4.09, 51.07 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD3 PRO 33 OK 71 99 - 71 - 474/2.3=17, 466/2.3=17...(14) HA ASP 40 - HD3 PRO 33 lone 7 72 - 9 - 426/1.8=2, 10526/3.8=1...(4) Peak 435 from aliabs.peaks (2.04, 4.09, 51.07 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 3.0=100 HB3 LYS 34 + HD3 PRO 33 OK 80 92 - 87 - 4.1/6162=17, 475/2.3=13...(41) HB2 PRO 52 - HD3 PRO 33 OK 42 62 - 68 - 1.8/1357=9, 427/1.8=6...(34) HG2 PRO 98 - HD3 PRO 33 OK 23 96 - 23 - 427/1.8=3, 475/2.3=3...(9) HB2 GLU 37 - HD3 PRO 33 OK 11 72 - 15 - 4.0/10764=5, 1.8/10515=2...(4) HB3 GLU 37 - HD3 PRO 33 poor 9 62 - 14 - 4.0/10764=5, 1.8/10515=2 Peak 436 from aliabs.peaks (2.43, 4.09, 51.07 ppm; 4.45 A): 5 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 3.0=100 HG2 MET 11 + HD3 PRO 33 OK 68 96 - 71 - 468/2.3=8, 476/2.3=8...(29) HG2 MET 68 + HD3 PRO 33 OK 68 100 - 68 - ~1980=8, 468/2.3=8...(26) HG3 GLN 47 + HD3 PRO 33 OK 53 89 - 59 - 3.6/8174=7, 10680=6...(28) HG2 GLN 47 + HD3 PRO 33 OK 53 89 - 59 - 3.6/8174=7, 10680=6...(28) QE MET 46 - HD3 PRO 33 OK 15 77 - 20 - 10489/2.3=4, ~10715=3...(6) HG2 GLN 133 - HD3 PRO 33 OK 10 72 - 14 - 10680=1, 1.8/10680=1 HG3 GLN 133 - HD3 PRO 33 poor 9 68 - 13 - 1.8/10680=1, 10680=1 Peak 437 from aliabs.peaks (2.10, 4.09, 51.07 ppm; 3.23 A): 4 out of 10 assignments used, quality = 1.00: * HG2 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HD3 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HD3 PRO 33 OK 63 100 - 63 - 211/1.8=12, ~203=8...(28) HG2 PRO 118 + HD3 PRO 33 OK 60 92 - 66 - 2.3/439=7, 1.8/3978=5...(34) HB3 LYS 36 - HD3 PRO 33 OK 37 100 - 37 - 10791/3.6=11, ~10789=4...(15) HB3 GLU 142 - HD3 PRO 33 OK 18 100 - 18 - 10380/3.8=3, 4851/4.8=2...(5) HB2 PRO 129 - HD3 PRO 33 OK 16 77 - 21 - ~10525=3, 2.3/424=3...(7) HB2 GLU 131 - HD3 PRO 33 OK 15 72 - 21 - ~4449=2, 4445/3.0=2...(10) HG2 GLU 122 - HD3 PRO 33 OK 14 96 - 15 - ~10997=2, ~10994=2...(5) HB3 LYS 61 - HD3 PRO 33 poor 6 62 - 10 - 4.8/9789=2, 4.8/9789=2 Peak 438 from aliabs.peaks (2.09, 4.09, 51.07 ppm; 3.23 A): 3 out of 11 assignments used, quality = 1.00: * HG3 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HD3 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HD3 PRO 33 OK 47 77 - 61 - 211/1.8=8, ~203=8...(29) HB2 LEU 26 - HD3 PRO 33 OK 38 94 - 41 - ~9793=5, 3.0/439=4...(21) HB3 LYS 36 - HD3 PRO 33 OK 24 72 - 33 - 10791/3.6=7, ~10789=4...(14) HB2 GLU 131 - HD3 PRO 33 OK 23 100 - 23 - 4445/3.0=3, 430/1.8=2...(12) HB2 PRO 129 - HD3 PRO 33 OK 22 100 - 22 - ~10525=3, 2.3/424=3...(7) HB3 GLU 142 - HD3 PRO 33 OK 15 92 - 16 - 10380/3.8=3, 4851/4.8=2...(5) HG2 GLU 122 - HD3 PRO 33 OK 14 98 - 15 - ~10997=2, ~10994=2...(5) HB3 LYS 61 - HD3 PRO 33 OK 11 99 - 11 - 4.8/9789=2, 4.8/9789=2 HD2 ARG 49 - HD3 PRO 33 lone 6 96 - 7 - 9772/3.8=1 Peak 439 from aliabs.peaks (4.05, 4.09, 51.07 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HD3 PRO 33 OK 100 100 - 100 - 1.8=100 HA GLN 25 + HD3 PRO 33 OK 54 99 - 54 - 471/2.3=9, 479/2.3=8...(21) HA LEU 26 - HD3 PRO 33 OK 34 89 - 38 - 479/2.3=5, 471/2.3=5...(19) HA LYS 24 - HD3 PRO 33 OK 27 100 - 27 - 479/2.3=4, 471/2.3=4...(10) Peak 440 from aliabs.peaks (4.09, 4.09, 51.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 33 + HD3 PRO 33 OK 100 100 - 100 Peak 442 from aliabs.peaks (4.41, 4.41, 64.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 33 + HA PRO 33 OK 100 100 - 100 Peak 443 from aliabs.peaks (2.04, 4.41, 64.61 ppm; 3.02 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 33 + HA PRO 33 OK 100 100 - 100 - 2.3=100 HB3 LYS 34 + HA PRO 33 OK 60 92 - 66 - 4.1/6156=11, 450=10...(28) HB2 PRO 52 - HA PRO 33 OK 22 62 - 35 - 2.3/448=5, 459/2.3=3...(17) HG2 PRO 98 - HA PRO 33 OK 16 96 - 16 - 6157/3.6=2, 459/2.3=2...(6) HB2 GLU 37 - HA PRO 33 lone 3 72 - 4 - HB3 GLU 37 - HA PRO 33 lone 2 62 - 4 - Peak 444 from aliabs.peaks (2.43, 4.41, 64.61 ppm; 2.99 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HA PRO 33 OK 100 100 - 100 - 2.3=100 HG2 MET 11 + HA PRO 33 OK 46 96 - 48 - 458=7, 452/2.3=4, ~39=4...(21) HG2 MET 68 + HA PRO 33 OK 45 100 - 46 - 458=8, ~1980=5...(18) HG3 GLN 47 - HA PRO 33 OK 16 89 - 19 - ~10678=2, 452/2.3=2...(9) HG2 GLN 47 - HA PRO 33 OK 16 89 - 19 - ~10678=2, 452/2.3=2...(9) QE MET 46 - HA PRO 33 lone 7 77 - 8 - ~10715=1, 10489/3.8=1 HG2 GLN 133 - HA PRO 33 lone 2 72 - 3 - HG3 GLN 133 - HA PRO 33 lone 2 68 - 3 - Peak 445 from aliabs.peaks (2.10, 4.41, 64.61 ppm; 3.24 A): 3 out of 10 assignments used, quality = 0.95: * HG2 PRO 33 + HA PRO 33 OK 77 100 - 77 - 3.8=60, 1.8/474=21...(5) HG3 PRO 33 + HA PRO 33 OK 60 81 - 74 - 3.8=60, 1.8/466=20...(4) HB3 LYS 36 + HA PRO 33 OK 46 100 - 46 - 10791=18, 1.8/10790=9...(11) HB3 GLN 25 - HA PRO 33 OK 31 100 - 31 - 211/3.6=8, 2.9/447=4...(11) HG2 PRO 118 - HA PRO 33 OK 31 92 - 34 - 2.3/448=5, 3970/3.6=3...(16) HB3 GLU 142 - HA PRO 33 lone 8 100 - 8 - 10380/4.8=3 HB2 GLU 131 - HA PRO 33 poor 7 72 - 10 - 4445/2.3=2, 2.9/444=1...(4) HG2 GLU 122 - HA PRO 33 lone 6 96 - 6 - HB2 PRO 129 - HA PRO 33 lone 5 77 - 7 - 2.3/9791=2 HB3 LYS 61 - HA PRO 33 lone 3 62 - 4 - Peak 446 from aliabs.peaks (2.09, 4.41, 64.61 ppm; 3.24 A): 3 out of 11 assignments used, quality = 0.93: * HG3 PRO 33 + HA PRO 33 OK 76 100 - 76 - 3.8=60, 1.8/466=20...(6) HG2 PRO 33 + HA PRO 33 OK 61 81 - 74 - 3.8=60, 1.8/474=21...(4) HB3 LYS 36 + HA PRO 33 OK 29 72 - 40 - 10791=11, 1.8/10790=9...(11) HB3 GLN 25 - HA PRO 33 OK 21 77 - 28 - 211/3.6=5, 2.9/447=4...(11) HB2 LEU 26 - HA PRO 33 OK 16 94 - 17 - 3.0/447=3, 430/3.6=2...(8) HB2 GLU 131 - HA PRO 33 OK 13 100 - 13 - 4445/2.3=4, 2.9/444=1...(6) HB2 PRO 129 - HA PRO 33 lone 9 100 - 9 - 2.3/9791=2, 430/3.6=1...(5) HB3 GLU 142 - HA PRO 33 lone 7 92 - 7 - 10380/4.8=2 HG2 GLU 122 - HA PRO 33 lone 6 98 - 6 - HB3 LYS 61 - HA PRO 33 lone 5 99 - 5 - HD2 ARG 49 - HA PRO 33 lone 4 96 - 5 - 9826/10787=1 Peak 447 from aliabs.peaks (4.05, 4.41, 64.61 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HA PRO 33 OK 100 100 - 100 - 3.6=100 HA GLN 25 + HA PRO 33 OK 50 99 - 50 - 471/3.8=9, 479/3.8=9...(17) HA LYS 24 - HA PRO 33 OK 35 100 - 35 - 6161/3.6=5, 439/3.6=4...(10) HA LEU 26 - HA PRO 33 OK 30 89 - 33 - 439/3.6=5, 482/3.6=5...(11) Peak 448 from aliabs.peaks (4.09, 4.41, 64.61 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HA PRO 33 OK 100 100 - 100 - 3.6=100 HD3 PRO 118 + HA PRO 33 OK 56 98 - 58 - 480/3.8=9, 472/3.8=8...(20) HA PRO 52 - HA PRO 33 OK 43 89 - 48 - 456/2.3=9, 432/3.6=8...(12) HA VAL 53 - HA PRO 33 OK 18 68 - 27 - 472/3.8=4, 456/2.3=3...(9) HB THR 110 - HA PRO 33 poor 8 72 - 11 - 432/3.6=2, 456/2.3=2...(7) Peak 450 from aliabs.peaks (4.41, 2.04, 31.77 ppm; 3.27 A): 3 out of 6 assignments used, quality = 1.00: * HA PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 2.3=100 HA PRO 57 + HB2 PRO 33 OK 58 99 - 59 - 474/2.3=11, 466/2.3=11...(16) HA PRO 33 + HB3 LYS 34 OK 53 72 - 74 - 443=15, 6156/4.1=13...(33) HA PRO 57 - HB3 LYS 34 OK 19 69 - 27 - 6156/4.1=4, 1509/2.9=3...(14) HA ASP 40 - HB2 PRO 33 lone 3 72 - 5 - HA ASP 40 - HB3 LYS 34 lone 1 44 - 1 - Peak 451 from aliabs.peaks (2.04, 2.04, 31.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 33 + HB2 PRO 33 OK 100 100 - 100 HB3 LYS 34 + HB3 LYS 34 OK 60 60 - 100 Peak 452 from aliabs.peaks (2.43, 2.04, 31.77 ppm; 2.91 A): 4 out of 16 assignments used, quality = 1.00: * HB3 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 1.8=100 HB3 PRO 33 + HB3 LYS 34 OK 55 72 - 77 - 459=10, 2.3/475=9...(40) HG2 MET 68 + HB2 PRO 33 OK 48 100 - 49 - 459=6, ~1980=5...(19) HG2 MET 11 + HB2 PRO 33 OK 48 96 - 50 - 459=5, 444/2.3=5, ~39=5...(22) HG2 GLN 47 - HB2 PRO 33 OK 27 89 - 31 - 3.0/10678=3, 468/2.3=2...(16) HG3 GLN 47 - HB2 PRO 33 OK 27 89 - 31 - 3.0/10678=3, 468/2.3=2...(16) HG2 MET 11 - HB3 LYS 34 OK 25 65 - 39 - ~38=4, 459=3, 32/1.8=3...(17) QE MET 46 - HB2 PRO 33 lone 7 77 - 9 - 3.3/10715=2, 10489/2.3=2 HG2 MET 68 - HB3 LYS 34 lone 5 70 - 8 - 6158/4.1=1 QE MET 46 - HB3 LYS 34 lone 4 48 - 9 - 3.3/10715=2, 10485/3.0=2 HG2 GLN 133 - HB2 PRO 33 lone 4 72 - 5 - HG3 GLN 133 - HB2 PRO 33 lone 4 68 - 5 - HG2 GLN 47 - HB3 LYS 34 lone 3 58 - 6 - HG3 GLN 47 - HB3 LYS 34 lone 3 58 - 6 - HG2 GLN 133 - HB3 LYS 34 lone 1 44 - 3 - HG3 GLN 133 - HB3 LYS 34 lone 1 41 - 3 - Peak 453 from aliabs.peaks (2.10, 2.04, 31.77 ppm; 2.90 A): 5 out of 20 assignments used, quality = 1.00: * HG2 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HB2 PRO 33 OK 81 81 - 100 - 2.3=100 HG2 PRO 33 + HB3 LYS 34 OK 54 72 - 76 - 467=14, 1.8/475=11...(34) HB3 GLN 25 + HB2 PRO 33 OK 52 100 - 52 - 211/3.0=7, ~203=4...(30) HG2 PRO 118 + HB2 PRO 33 OK 49 92 - 54 - 2.3/456=4, ~3975=4...(34) HG3 PRO 33 - HB3 LYS 34 OK 38 51 - 74 - 1.8/467=11, 475=10...(34) HB3 LYS 36 - HB2 PRO 33 OK 37 100 - 37 - 10791/2.3=12, ~10790=5...(19) HB2 GLU 131 - HB2 PRO 33 OK 13 72 - 18 - 4445/1.8=2, ~4449=1...(5) HG2 PRO 118 - HB3 LYS 34 OK 12 60 - 20 - ~10581=3, 3970/3.0=1...(6) HB2 PRO 129 - HB2 PRO 33 OK 12 77 - 15 - ~10525=2 HG2 GLU 122 - HB2 PRO 33 OK 11 96 - 11 - ~10997=1, ~10994=1, ~4091=1 HB3 GLU 142 - HB2 PRO 33 OK 10 100 - 10 - ~4841=1, ~4841=1 HG2 GLU 122 - HB3 LYS 34 poor 8 65 - 12 - 4082/2.9=2, 4083/1.8=1 HB3 LYS 36 - HB3 LYS 34 lone 6 71 - 9 - 10784/4.6=3, 6160/4.1=2 HB3 LYS 61 - HB3 LYS 34 poor 5 37 - 13 - 1673/1.8=1, 1.8/506=1...(4) HB3 GLN 25 - HB3 LYS 34 lone 5 71 - 7 - 6159/4.1=1 HB3 LYS 61 - HB2 PRO 33 lone 4 62 - 6 - HB2 GLU 131 - HB3 LYS 34 lone 3 44 - 6 - ~9556=1, ~9556=1 HB3 GLU 142 - HB3 LYS 34 lone 1 70 - 2 - HB2 PRO 129 - HB3 LYS 34 lone 1 48 - 2 - Peak 454 from aliabs.peaks (2.09, 2.04, 31.77 ppm; 2.90 A): 3 out of 22 assignments used, quality = 1.00: * HG3 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HB2 PRO 33 OK 81 81 - 100 - 2.3=100 HG3 PRO 33 + HB3 LYS 34 OK 55 72 - 77 - 475=14, 1.8/467=11...(34) HB3 GLN 25 - HB2 PRO 33 OK 38 77 - 50 - 211/3.0=5, ~203=4...(30) HG2 PRO 33 - HB3 LYS 34 OK 37 51 - 72 - 1.8/475=11, 467=10...(33) HB2 LEU 26 - HB2 PRO 33 OK 29 94 - 31 - ~9793=3, ~10610=3...(15) HB2 LEU 26 - HB3 LYS 34 OK 26 63 - 41 - ~10584=4, ~498=3...(23) HB3 LYS 36 - HB2 PRO 33 OK 24 72 - 33 - 10791/2.3=7, ~10790=5...(19) HB2 GLU 131 - HB2 PRO 33 OK 20 100 - 20 - 4445/1.8=3, ~4449=1...(8) HB2 PRO 129 - HB2 PRO 33 OK 16 100 - 16 - ~10525=2, 430/3.0=1...(4) HG2 GLU 122 - HB2 PRO 33 OK 11 98 - 12 - ~10997=1, ~10994=1, ~4091=1 HB3 LYS 61 - HB3 LYS 34 OK 11 69 - 16 - 1673/1.8=3, 1.8/506=1...(4) HB3 GLU 142 - HB2 PRO 33 lone 9 92 - 10 - ~4841=1, ~4841=1 HG2 GLU 122 - HB3 LYS 34 poor 9 67 - 13 - 4082/2.9=2, 4083/1.8=1 HB3 LYS 61 - HB2 PRO 33 lone 7 99 - 7 - HB2 GLU 131 - HB3 LYS 34 lone 5 71 - 7 - ~9556=1, ~9556=1 HD2 ARG 49 - HB2 PRO 33 lone 4 96 - 4 - HB3 GLN 25 - HB3 LYS 34 lone 3 48 - 6 - HD2 ARG 49 - HB3 LYS 34 lone 3 65 - 4 - HB3 LYS 36 - HB3 LYS 34 lone 3 44 - 6 - 10784/4.6=2, 6160/4.1=1 HB2 PRO 129 - HB3 LYS 34 lone 2 71 - 3 - HB3 GLU 142 - HB3 LYS 34 lone 1 60 - 1 - Peak 455 from aliabs.peaks (4.05, 2.04, 31.77 ppm; 3.70 A): 3 out of 8 assignments used, quality = 1.00: * HD2 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 3.0=100 HA GLN 25 + HB2 PRO 33 OK 67 99 - 67 - 471/2.3=11, 479/2.3=11...(33) HD2 PRO 33 + HB3 LYS 34 OK 63 72 - 88 - 427=16, 6161/4.1=14...(39) HA LEU 26 - HB2 PRO 33 OK 45 89 - 50 - 479/2.3=6, 471/2.3=6...(21) HA LYS 24 - HB3 LYS 34 OK 42 71 - 59 - 11319/2.9=8, 10872/3.4=7...(26) HA LYS 24 - HB2 PRO 33 OK 38 100 - 38 - 479/2.3=5, 447/2.3=5...(12) HA LEU 26 - HB3 LYS 34 OK 32 58 - 55 - 494/1.8=5, 516/2.9=5...(29) HA GLN 25 - HB3 LYS 34 poor 9 69 - 14 - 6161/4.1=3, 4.8/485=2...(6) Peak 456 from aliabs.peaks (4.09, 2.04, 31.77 ppm; 3.73 A): 4 out of 10 assignments used, quality = 1.00: * HD3 PRO 33 + HB2 PRO 33 OK 100 100 - 100 - 3.0=100 HD3 PRO 118 + HB2 PRO 33 OK 75 98 - 77 - 480/2.3=11, 472/2.3=11...(41) HD3 PRO 33 + HB3 LYS 34 OK 64 72 - 89 - 6162/4.1=18, 435=16...(39) HA PRO 52 + HB2 PRO 33 OK 58 89 - 65 - 472/2.3=10, 480/2.3=10...(28) HA VAL 53 - HB2 PRO 33 OK 26 68 - 38 - 472/2.3=5, 480/2.3=4...(16) HD3 PRO 118 - HB3 LYS 34 OK 24 67 - 36 - ~10581=5, 494/1.8=3...(15) HB THR 110 - HB2 PRO 33 OK 14 72 - 18 - 472/2.3=2, 432/3.0=2...(10) HA VAL 53 - HB3 LYS 34 poor 9 41 - 21 - ~10581=4, 6162/4.1=3...(7) HA PRO 52 - HB3 LYS 34 poor 6 58 - 11 - 6162/4.1=4, 480/475=1...(5) HB THR 110 - HB3 LYS 34 lone 1 44 - 3 - Peak 458 from aliabs.peaks (4.41, 2.43, 31.77 ppm; 3.13 A): 3 out of 9 assignments used, quality = 1.00: * HA PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 2.3=100 HA PRO 57 + HB3 PRO 33 OK 55 99 - 55 - 474/2.3=10, 466/2.3=10...(16) HA PRO 33 + HG2 MET 68 OK 48 98 - 50 - 444=10, ~1980=5, ~1980=5...(20) HA PRO 33 - HG2 MET 11 OK 44 85 - 52 - 444=10, 2.3/452=5, ~39=5...(23) HA PRO 57 - HG2 MET 68 lone 6 95 - 7 - HA ASP 40 - HG2 MET 68 lone 6 68 - 9 - ~8454=6, ~8454=1 HA PRO 57 - HG2 MET 11 lone 3 82 - 4 - HA ASP 40 - HB3 PRO 33 lone 3 72 - 4 - HA ASP 40 - HG2 MET 11 lone 0 55 - 1 - Peak 459 from aliabs.peaks (2.04, 2.43, 31.77 ppm; 2.78 A): 2 out of 18 assignments used, quality = 1.00: * HB2 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 1.8=100 HB3 LYS 34 + HB3 PRO 33 OK 66 92 - 72 - 475/2.3=9, 467/2.3=9...(38) HB2 PRO 33 - HG2 MET 68 OK 44 98 - 45 - 452=6, ~1980=5...(18) HB2 PRO 33 - HG2 MET 11 OK 40 85 - 47 - 452=6, 2.3/444=5, ~39=4...(21) HB2 PRO 52 - HB3 PRO 33 OK 30 62 - 48 - 2.3/464=4, 467/2.3=4...(25) HB3 LYS 34 - HG2 MET 11 OK 26 73 - 35 - ~38=4, 452=3, ~38=3...(13) HG2 PRO 98 - HB3 PRO 33 OK 17 96 - 17 - 443/2.3=2, 475/2.3=2...(6) HB2 GLU 37 - HG2 MET 11 OK 14 55 - 26 - 1.8/35=3, ~41=3...(14) HB3 GLU 37 - HG2 MET 11 OK 12 47 - 25 - 1.8/35=3, ~41=2...(13) HB3 LYS 34 - HG2 MET 68 lone 6 87 - 7 - 4.1/6158=1 HB2 GLU 37 - HB3 PRO 33 lone 5 72 - 6 - HB3 GLU 37 - HB3 PRO 33 lone 4 62 - 6 - HG2 PRO 98 - HG2 MET 11 lone 3 78 - 4 - HB2 PRO 52 - HG2 MET 11 lone 2 47 - 5 - HG2 PRO 98 - HG2 MET 68 lone 1 92 - 1 - HB2 PRO 52 - HG2 MET 68 lone 1 58 - 2 - HB2 GLU 37 - HG2 MET 68 lone 1 68 - 1 - HB3 GLU 37 - HG2 MET 68 lone 0 58 - 1 - Peak 460 from aliabs.peaks (2.43, 2.43, 31.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 33 + HB3 PRO 33 OK 100 100 - 100 HG2 MET 68 + HG2 MET 68 OK 96 96 - 100 HG2 MET 11 + HG2 MET 11 OK 78 78 - 100 Peak 461 from aliabs.peaks (2.10, 2.43, 31.77 ppm; 3.02 A): 5 out of 30 assignments used, quality = 1.00: * HG2 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 2.3=100 HG3 PRO 33 + HB3 PRO 33 OK 81 81 - 100 - 2.3=100 HB3 GLN 25 + HB3 PRO 33 OK 56 100 - 56 - 211/3.0=8, ~203=4...(31) HG2 PRO 118 + HB3 PRO 33 OK 53 92 - 58 - ~3975=4, 2.3/463=3...(34) HG2 PRO 33 + HG2 MET 68 OK 45 98 - 46 - 468=8, 1.8/476=6...(16) HG2 PRO 33 - HG2 MET 11 OK 41 85 - 48 - 468=8, 1.8/476=6...(18) HB3 LYS 36 - HB3 PRO 33 OK 40 100 - 40 - 10791/2.3=13, ~10790=5...(18) HG3 PRO 33 - HG2 MET 68 OK 34 77 - 44 - 1.8/468=6, 476=6...(16) HG3 PRO 33 - HG2 MET 11 OK 29 63 - 46 - 1.8/468=6, 476=6...(18) HB3 LYS 36 - HG2 MET 68 OK 23 97 - 24 - 679/2.9=4, 673/3.7=3...(7) HG2 PRO 118 - HG2 MET 68 OK 23 87 - 26 - ~1984=2, 2.3/464=2...(11) HB3 GLN 25 - HG2 MET 11 OK 19 85 - 23 - 214/1.8=5, ~10664=4...(8) HB2 GLU 131 - HB3 PRO 33 OK 18 72 - 24 - 4445=3, 3.0/4436=2...(10) HB2 PRO 129 - HB3 PRO 33 OK 14 77 - 18 - ~10525=3, ~9791=1, ~4384=1 HB3 GLU 142 - HB3 PRO 33 OK 13 100 - 13 - ~4841=1, ~4841=1...(4) HG2 GLU 122 - HB3 PRO 33 OK 13 96 - 13 - ~10997=1, ~10994=1, ~4091=1 HB3 LYS 61 - HG2 MET 11 poor 7 47 - 15 - ~38=2, ~44=2, ~8016=2...(7) HB3 LYS 36 - HG2 MET 11 lone 5 84 - 6 - 679/3.0=1, 10791/444=1 HB3 LYS 61 - HB3 PRO 33 lone 5 62 - 7 - HG2 GLU 122 - HG2 MET 11 lone 5 78 - 6 - HB3 GLN 25 - HG2 MET 68 lone 3 98 - 3 - HB2 GLU 131 - HG2 MET 11 lone 2 55 - 4 - HB2 GLU 131 - HG2 MET 68 lone 2 68 - 3 - HB3 GLU 142 - HG2 MET 11 lone 2 83 - 2 - HG2 PRO 118 - HG2 MET 11 lone 2 73 - 2 - HB3 GLU 142 - HG2 MET 68 lone 1 96 - 1 - HB2 PRO 129 - HG2 MET 11 lone 1 59 - 2 - HG2 GLU 122 - HG2 MET 68 lone 1 92 - 1 - HB3 LYS 61 - HG2 MET 68 lone 1 58 - 1 - HB2 PRO 129 - HG2 MET 68 lone 0 72 - 1 - Peak 462 from aliabs.peaks (2.09, 2.43, 31.77 ppm; 3.02 A): 2 out of 33 assignments used, quality = 1.00: * HG3 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HB3 PRO 33 OK 81 81 - 100 - 2.3=100 HG3 PRO 33 - HG2 MET 68 OK 45 98 - 46 - 476=8, 1.8/468=6...(16) HB3 GLN 25 - HB3 PRO 33 OK 41 77 - 53 - 211/3.0=5, ~203=4...(30) HG3 PRO 33 - HG2 MET 11 OK 41 85 - 48 - 476=8, 1.8/468=6...(18) HG2 PRO 33 - HG2 MET 68 OK 34 77 - 44 - 468=6, 1.8/476=6...(16) HB2 LEU 26 - HB3 PRO 33 OK 33 94 - 35 - ~9793=4, ~10610=3...(19) HG2 PRO 33 - HG2 MET 11 OK 29 63 - 46 - 468=6, 1.8/476=6...(18) HB2 GLU 131 - HB3 PRO 33 OK 27 100 - 27 - 4445=5, 3.0/4436=2...(12) HB3 LYS 36 - HB3 PRO 33 OK 25 72 - 35 - 10791/2.3=8, ~10790=5...(18) HB2 PRO 129 - HB3 PRO 33 OK 19 100 - 19 - ~10525=3, 430/3.0=1...(6) HB3 LYS 36 - HG2 MET 68 OK 14 68 - 20 - 679/2.9=2, 673/3.7=2...(6) HB3 LYS 61 - HG2 MET 11 OK 14 82 - 17 - 1673/3.0=2, ~38=2, ~44=2...(7) HG2 GLU 122 - HB3 PRO 33 OK 13 98 - 13 - ~10997=1, ~10994=1, ~4091=1 HB3 GLN 25 - HG2 MET 11 OK 13 59 - 21 - ~10664=4, 214/1.8=3...(8) HB3 GLU 142 - HB3 PRO 33 OK 11 92 - 11 - ~4841=1, ~4841=1 HB3 LYS 61 - HB3 PRO 33 lone 9 99 - 9 - HG2 GLU 122 - HG2 MET 11 lone 5 80 - 6 - HD2 ARG 49 - HB3 PRO 33 lone 5 96 - 5 - HB2 GLU 131 - HG2 MET 11 lone 4 84 - 5 - 4445=1 HB2 GLU 131 - HG2 MET 68 lone 3 97 - 3 - HB3 LYS 36 - HG2 MET 11 lone 3 55 - 5 - HB2 LEU 26 - HG2 MET 11 lone 2 76 - 2 - HB3 GLN 25 - HG2 MET 68 lone 2 72 - 2 - HD2 ARG 49 - HG2 MET 68 lone 2 92 - 2 - HB2 PRO 129 - HG2 MET 11 lone 2 85 - 2 - HB2 LEU 26 - HG2 MET 68 lone 2 90 - 2 - HB3 LYS 61 - HG2 MET 68 lone 1 95 - 1 - HB3 GLU 142 - HG2 MET 11 lone 1 73 - 2 - HB3 GLU 142 - HG2 MET 68 lone 1 87 - 1 - HB2 PRO 129 - HG2 MET 68 lone 1 98 - 1 - HG2 GLU 122 - HG2 MET 68 lone 1 94 - 1 - HD2 ARG 49 - HG2 MET 11 lone 1 78 - 1 - Peak 463 from aliabs.peaks (4.05, 2.43, 31.77 ppm; 4.02 A): 6 out of 12 assignments used, quality = 1.00: * HD2 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 3.0=100 HA GLN 25 + HB3 PRO 33 OK 74 99 - 75 - 471/2.3=12, 479/2.3=12...(33) HD2 PRO 33 + HG2 MET 68 OK 60 98 - 62 - 2.3/468=8, 2.3/476=8...(24) HD2 PRO 33 + HG2 MET 11 OK 55 85 - 65 - 2.3/468=8, 2.3/476=8...(29) HA LEU 26 + HB3 PRO 33 OK 49 89 - 56 - 479/2.3=7, 471/2.3=7...(21) HA LYS 24 + HB3 PRO 33 OK 46 100 - 46 - 4.0/10894=8, 447/2.3=5...(13) HA GLN 25 - HG2 MET 11 OK 24 82 - 29 - 198/1.8=8, ~214=5...(8) HA LYS 24 - HG2 MET 68 OK 12 98 - 13 - 4.0/10894=2, ~1989=1, 3.0/1981=1 HA LYS 24 - HG2 MET 11 lone 8 85 - 10 - 4.0/10894=2, ~37=1 HA GLN 25 - HG2 MET 68 lone 6 95 - 7 - HA LEU 26 - HG2 MET 68 lone 5 84 - 6 - HA LEU 26 - HG2 MET 11 lone 5 70 - 7 - ~6076=1 Peak 464 from aliabs.peaks (4.09, 2.43, 31.77 ppm; 4.04 A): 5 out of 15 assignments used, quality = 1.00: * HD3 PRO 33 + HB3 PRO 33 OK 100 100 - 100 - 3.0=100 HD3 PRO 118 + HB3 PRO 33 OK 81 98 - 83 - 480/2.3=12, 472/2.3=12...(40) HA PRO 52 + HB3 PRO 33 OK 62 89 - 69 - 472/2.3=10, 480/2.3=10...(24) HD3 PRO 33 + HG2 MET 68 OK 61 98 - 62 - 2.3/468=8, 2.3/476=8...(25) HD3 PRO 33 + HG2 MET 11 OK 55 85 - 65 - 436=8, 2.3/468=8...(29) HD3 PRO 118 - HG2 MET 68 OK 42 94 - 45 - ~1984=5, ~1960=4...(20) HA VAL 53 - HB3 PRO 33 OK 30 68 - 44 - 472/2.3=5, 480/2.3=5...(20) HB THR 110 - HB3 PRO 33 OK 15 72 - 21 - ~10810=2, 432/3.0=2...(11) HA PRO 52 - HG2 MET 11 lone 6 70 - 9 - HD3 PRO 118 - HG2 MET 11 lone 5 80 - 6 - HA PRO 52 - HG2 MET 68 lone 4 84 - 5 - HB THR 110 - HG2 MET 11 lone 2 55 - 4 - HA VAL 53 - HG2 MET 68 lone 2 63 - 4 - HA VAL 53 - HG2 MET 11 lone 2 51 - 3 - HB THR 110 - HG2 MET 68 lone 1 68 - 2 - Peak 466 from aliabs.peaks (4.41, 2.10, 27.24 ppm; 3.52 A): 2 out of 3 assignments used, quality = 0.93: * HA PRO 33 + HG2 PRO 33 OK 86 100 - 86 - 3.8=76, 3.6/473=16...(5) HA PRO 57 + HG2 PRO 33 OK 51 99 - 51 - 450/2.3=9, 426/2.3=9...(12) HA ASP 40 - HG2 PRO 33 lone 3 72 - 4 - Peak 467 from aliabs.peaks (2.04, 2.10, 27.24 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HB3 LYS 34 + HG2 PRO 33 OK 53 92 - 58 - 4.1/473=6, 459/2.3=5...(28) HB2 PRO 52 - HG2 PRO 33 OK 23 62 - 37 - 2.3/472=5, 435/2.3=3...(18) HG2 PRO 98 - HG2 PRO 33 OK 11 96 - 11 - 435/2.3=1, 427/2.3=1, 459/2.3=1 HB2 GLU 37 - HG2 PRO 33 lone 4 72 - 5 - 4.0/6219=1 HB3 GLU 37 - HG2 PRO 33 lone 3 62 - 5 - 4.0/6219=1 Peak 468 from aliabs.peaks (2.43, 2.10, 27.24 ppm; 3.11 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 MET 68 - HG2 PRO 33 OK 44 100 - 45 - ~1980=5, ~1980=5...(17) HG2 MET 11 - HG2 PRO 33 OK 44 96 - 46 - 452/2.3=5, ~39=4, ~39=4...(19) HG3 GLN 47 - HG2 PRO 33 OK 24 89 - 27 - ~10678=3, 452/2.3=2...(14) HG2 GLN 47 - HG2 PRO 33 OK 24 89 - 27 - ~10678=3, 452/2.3=2...(14) QE MET 46 - HG2 PRO 33 poor 8 77 - 11 - 10489=2, ~10715=2, 10694/2.3=1 HG2 GLN 133 - HG2 PRO 33 lone 4 72 - 6 - HG3 GLN 133 - HG2 PRO 33 lone 4 68 - 5 - Peak 469 from aliabs.peaks (2.10, 2.10, 27.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 33 + HG2 PRO 33 OK 100 100 - 100 Peak 470 from aliabs.peaks (2.09, 2.10, 27.24 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HG2 PRO 33 + HG2 PRO 33 OK 81 81 - 100 Reference assignment not found: HG3 PRO 33 - HG2 PRO 33 Peak 471 from aliabs.peaks (4.05, 2.10, 27.24 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HA GLN 25 + HG2 PRO 33 OK 65 99 - 66 - 197=10, 439/2.3=8...(33) HA LEU 26 - HG2 PRO 33 OK 37 89 - 42 - 439/2.3=5, 3.0/10610=5...(17) HA LYS 24 - HG2 PRO 33 OK 28 100 - 28 - 439/2.3=4, ~10877=3...(11) Peak 472 from aliabs.peaks (4.09, 2.10, 27.24 ppm; 3.13 A): 2 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HG2 PRO 33 OK 100 100 - 100 - 2.3=100 HD3 PRO 118 + HG2 PRO 33 OK 65 98 - 66 - 432/2.3=7, 2.3/3975=7...(37) HA PRO 52 - HG2 PRO 33 OK 42 89 - 47 - 432/2.3=8, 456/2.3=6...(21) HA VAL 53 - HG2 PRO 33 OK 23 68 - 33 - 432/2.3=3, 3.0/6499=3...(14) HB THR 110 - HG2 PRO 33 OK 10 72 - 14 - 2.8/10810=3, 432/2.3=2...(8) Peak 474 from aliabs.peaks (4.41, 2.09, 27.24 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.94: * HA PRO 33 + HG3 PRO 33 OK 87 100 - 87 - 3.8=80, 3.6/481=16...(7) HA PRO 57 + HG3 PRO 33 OK 51 99 - 52 - 2.3/9793=12, 450/2.3=9...(11) HA ASP 40 - HG3 PRO 33 lone 3 72 - 4 - Peak 475 from aliabs.peaks (2.04, 2.09, 27.24 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HB3 LYS 34 + HG3 PRO 33 OK 55 92 - 59 - 4.1/481=6, 2.9/10997=5...(29) HB2 PRO 52 - HG3 PRO 33 OK 23 62 - 36 - 2.3/480=5, 435/2.3=3...(17) HG2 PRO 98 - HG3 PRO 33 OK 11 96 - 11 - 435/2.3=1, 427/2.3=1, 459/2.3=1 HB2 GLU 37 - HG3 PRO 33 lone 4 72 - 6 - 4.0/6219=1 HB3 GLU 37 - HG3 PRO 33 lone 3 62 - 5 - 4.0/6219=1 Peak 476 from aliabs.peaks (2.43, 2.09, 27.24 ppm; 3.19 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HG2 MET 68 + HG3 PRO 33 OK 46 100 - 46 - ~1980=5, ~1980=5...(17) HG2 MET 11 + HG3 PRO 33 OK 46 96 - 48 - 452/2.3=5, ~39=5, ~39=5...(20) HG3 GLN 47 - HG3 PRO 33 OK 25 89 - 28 - ~10678=3, 436/2.3=3...(14) HG2 GLN 47 - HG3 PRO 33 OK 25 89 - 28 - ~10678=3, 436/2.3=3...(14) QE MET 46 - HG3 PRO 33 poor 9 77 - 11 - 10489/1.8=2, ~10715=2 HG2 GLN 133 - HG3 PRO 33 lone 4 72 - 6 - HG3 GLN 133 - HG3 PRO 33 lone 4 68 - 6 - Peak 477 from aliabs.peaks (2.10, 2.09, 27.24 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HG3 PRO 33 + HG3 PRO 33 OK 81 81 - 100 Reference assignment not found: HG2 PRO 33 - HG3 PRO 33 Peak 478 from aliabs.peaks (2.09, 2.09, 27.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 33 + HG3 PRO 33 OK 100 100 - 100 Peak 479 from aliabs.peaks (4.05, 2.09, 27.24 ppm; 3.20 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HA GLN 25 + HG3 PRO 33 OK 66 99 - 67 - 197=9, 439/2.3=8...(34) HA LEU 26 - HG3 PRO 33 OK 39 89 - 43 - 3.0/9793=6, 439/2.3=5...(18) HA LYS 24 - HG3 PRO 33 OK 29 100 - 29 - 439/2.3=4, ~10877=3...(12) Peak 480 from aliabs.peaks (4.09, 2.09, 27.24 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: * HD3 PRO 33 + HG3 PRO 33 OK 100 100 - 100 - 2.3=100 HD3 PRO 118 + HG3 PRO 33 OK 69 98 - 70 - 432/2.3=8, 2.3/3975=7...(41) HA PRO 52 - HG3 PRO 33 OK 42 89 - 48 - 432/2.3=8, 456/2.3=6...(21) HA VAL 53 - HG3 PRO 33 OK 22 68 - 33 - 432/2.3=3, ~6491=2...(15) HB THR 110 - HG3 PRO 33 poor 10 72 - 13 - 432/2.3=2, ~10810=2...(8) Peak 483 from aliabs.peaks (4.07, 4.07, 57.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 34 + HA LYS 34 OK 100 100 - 100 Peak 484 from aliabs.peaks (1.96, 4.07, 57.19 ppm; 3.19 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 34 + HA LYS 34 OK 100 100 - 100 - 3.0=100 HB3 MET 11 - HA LYS 34 OK 41 100 - 41 - 3.0/9799=5, 6164/3.0=4...(18) HB3 PRO 98 - HA LYS 34 OK 35 77 - 46 - 528/4.0=4, 517/4.0=4...(32) HB2 LYS 61 - HA LYS 34 OK 16 96 - 16 - 1.8/237=1, 6164/3.0=1...(6) HB3 GLU 122 - HA LYS 34 OK 12 81 - 14 - 1.8/486=2, 517/4.0=1...(5) HG2 PRO 12 - HA LYS 34 poor 6 62 - 10 - 2.3/10582=4, ~8011=1 Peak 485 from aliabs.peaks (2.03, 4.07, 57.19 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 34 + HA LYS 34 OK 100 100 - 100 - 3.0=100 HB2 PRO 33 + HA LYS 34 OK 68 92 - 74 - 6165/3.0=9, ~6156=7...(39) HB2 GLU 37 - HA LYS 34 OK 41 98 - 42 - 3.0/10918=13, 10766=7...(10) HB3 GLU 37 - HA LYS 34 OK 39 94 - 42 - 3.0/10918=13, 3.0/9799=7...(10) HB2 GLU 90 - HA LYS 34 OK 30 68 - 45 - 1.8/2925=7, 3.0/2939=5...(18) HG2 PRO 98 - HA LYS 34 OK 26 68 - 38 - 2.3/484=4, 496/3.0=3...(27) Peak 486 from aliabs.peaks (1.51, 4.07, 57.19 ppm; 3.22 A): 3 out of 5 assignments used, quality = 0.95: * HG2 LYS 34 + HA LYS 34 OK 92 100 - 92 - 4.0=54, 515/3.0=18...(34) HG3 PRO 57 + HA LYS 34 OK 22 77 - 29 - 497/3.0=5, 530/4.0=4...(12) HG13 ILE 101 + HA LYS 34 OK 20 62 - 32 - ~9180=6, ~9180=5...(12) HB2 LYS 123 - HA LYS 34 lone 6 94 - 6 - 497/3.0=2, 530/4.0=1 HD3 LYS 114 - HA LYS 34 lone 6 57 - 10 - 6178/3.6=3, 6166/3.0=1...(5) Peak 487 from aliabs.peaks (1.63, 4.07, 57.19 ppm; 3.53 A): 1 out of 7 assignments used, quality = 0.97: * HG3 LYS 34 + HA LYS 34 OK 97 100 - 97 - 4.0=71, 1.8/486=25...(34) HD2 LYS 24 - HA LYS 34 OK 34 100 - 34 - 10908=5, 498/3.0=5...(12) HB2 LEU 87 - HA LYS 34 OK 25 92 - 27 - 498/3.0=4, 520/4.0=3...(11) HB3 LEU 64 - HA LYS 34 OK 20 100 - 20 - 498/3.0=5, 520/4.0=4...(7) HG3 ARG 49 - HA LYS 34 lone 5 68 - 7 - 6179/3.6=2, ~10797=1 HG3 LYS 48 - HA LYS 34 lone 1 68 - 2 - HG3 ARG 144 - HA LYS 34 lone 1 77 - 2 - Peak 488 from aliabs.peaks (1.79, 4.07, 57.19 ppm; 3.25 A): 2 out of 8 assignments used, quality = 0.99: * HD2 LYS 34 + HA LYS 34 OK 92 100 - 92 - 4.7=33, 2.9/486=17...(46) HD3 LYS 34 + HA LYS 34 OK 87 94 - 92 - 4.7=33, 2.9/486=17...(46) HD3 LYS 86 - HA LYS 34 OK 34 94 - 36 - 499/3.0=4, 3.0/491=3...(18) HG2 PRO 57 - HA LYS 34 OK 23 96 - 24 - 1.8/486=5, 499/3.0=3...(10) HG LEU 72 - HA LYS 34 OK 11 85 - 12 - ~11609=2, 499/3.0=2...(6) HB3 LEU 72 - HA LYS 34 poor 8 62 - 12 - 500/3.0=1, 1.8/240=1, ~11609=1 HB3 ARG 145 - HA LYS 34 lone 3 100 - 3 - HB3 ARG 55 - HA LYS 34 lone 1 81 - 1 - Peak 489 from aliabs.peaks (1.80, 4.07, 57.19 ppm; 3.25 A): 2 out of 8 assignments used, quality = 0.99: * HD3 LYS 34 + HA LYS 34 OK 92 100 - 92 - 4.7=33, 2.9/486=17...(46) HD2 LYS 34 + HA LYS 34 OK 87 94 - 92 - 4.7=33, 2.9/486=17...(46) HD3 LYS 86 - HA LYS 34 OK 36 100 - 36 - 500/3.0=4, 3.0/491=3...(18) HG2 PRO 57 - HA LYS 34 OK 24 100 - 24 - 1.8/486=5, 500/3.0=3...(10) HB2 LYS 24 - HA LYS 34 OK 20 62 - 31 - 3.7/487=4, 10880/4.7=2...(17) HB2 ARG 124 - HA LYS 34 OK 16 81 - 20 - ~10799=3, 4207/3.0=3...(11) HB3 LEU 72 - HA LYS 34 OK 13 92 - 15 - 500/3.0=2, 2129/4.7=2...(8) HB3 ARG 145 - HA LYS 34 lone 2 89 - 3 - Peak 490 from aliabs.peaks (3.05, 4.07, 57.19 ppm; 4.28 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 34 + HA LYS 34 OK 94 100 - 94 - 6.2=33, 3.7/486=22...(36) HE3 LYS 34 + HA LYS 34 OK 93 99 - 94 - 6.2=33, 3.7/486=22...(36) HE3 LYS 86 + HA LYS 34 OK 55 89 - 62 - 535/4.0=6, 524/4.0=6...(33) HE2 LYS 86 + HA LYS 34 OK 54 85 - 64 - 535/4.0=6, 524/4.0=6...(35) HB2 TYR 27 - HA LYS 34 OK 20 98 - 21 - 2.6/10889=5, 3.9/6089=4...(8) HB2 HIS 10 - HA LYS 34 OK 15 77 - 19 - 4.0/8097=15, 501/3.0=1, ~10799=1 HB3 ASP 65 - HA LYS 34 lone 3 68 - 4 - Peak 491 from aliabs.peaks (3.06, 4.07, 57.19 ppm; 4.28 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 34 + HA LYS 34 OK 94 100 - 94 - 6.2=33, 3.7/486=22...(36) HE2 LYS 34 + HA LYS 34 OK 93 99 - 94 - 6.2=33, 3.7/486=22...(36) HE2 LYS 86 + HA LYS 34 OK 62 96 - 64 - 535/4.0=6, 524/4.0=6...(35) HE3 LYS 86 + HA LYS 34 OK 61 98 - 63 - 535/4.0=6, 524/4.0=6...(33) HB2 TYR 27 - HA LYS 34 OK 21 100 - 21 - 2.6/10889=5, 3.9/6089=4...(8) HB3 ASP 30 - HA LYS 34 lone 5 72 - 6 - 3.8/492=3 HB3 TRP 88 - HA LYS 34 lone 2 62 - 3 - Peak 494 from aliabs.peaks (4.07, 1.96, 31.69 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 3.0=100 HA GLU 90 + HB2 LYS 34 OK 56 100 - 56 - 2909/1.8=13, 527/2.9=6...(24) HA LEU 26 - HB2 LYS 34 OK 45 77 - 58 - 4.0/10584=9, 484=6...(27) HA VAL 53 - HB2 LYS 34 OK 20 96 - 21 - ~10581=3, 505/1.8=2...(6) HD3 PRO 118 - HB2 LYS 34 OK 18 62 - 28 - ~10581=5, 6161/4.1=3...(12) HA LEU 132 - HB2 LYS 34 OK 16 100 - 16 - 516/2.9=2, ~10425=2...(4) Peak 495 from aliabs.peaks (1.96, 1.96, 31.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 34 + HB2 LYS 34 OK 100 100 - 100 Peak 496 from aliabs.peaks (2.03, 1.96, 31.69 ppm; 2.85 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 1.8=100 HB2 PRO 33 + HB2 LYS 34 OK 70 92 - 76 - 4.3/6164=8, 506=7...(42) HG2 PRO 98 - HB2 LYS 34 OK 41 68 - 60 - ~9131=5, ~9138=4...(38) HB2 GLU 37 - HB2 LYS 34 OK 32 98 - 32 - 10766/3.0=4, ~10918=4...(15) HB2 GLU 90 - HB2 LYS 34 OK 31 68 - 46 - ~2926=5, 3.0/494=4...(25) HB3 GLU 37 - HB2 LYS 34 OK 31 94 - 32 - 10766/3.0=4, ~10918=4...(15) Peak 497 from aliabs.peaks (1.51, 1.96, 31.69 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 2.9=100 HG3 PRO 57 - HB2 LYS 34 OK 45 77 - 58 - 530/2.9=6, 1.8/499=5...(38) HG13 ILE 101 - HB2 LYS 34 OK 37 62 - 59 - ~9180=13, ~9180=10...(26) HB2 LYS 123 - HB2 LYS 34 OK 18 94 - 19 - 3.7/9470=5, 530/2.9=2...(8) HD3 LYS 114 - HB2 LYS 34 OK 10 57 - 17 - 6178/4.6=3, 530/2.9=2...(6) Peak 498 from aliabs.peaks (1.63, 1.96, 31.69 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 2.9=100 HD2 LYS 24 - HB2 LYS 34 OK 43 100 - 43 - 487/3.0=5, 520/2.9=5...(21) HB3 LEU 64 - HB2 LYS 34 OK 41 100 - 41 - 3.1/11013=6, 520/2.9=5...(20) HB2 LEU 87 - HB2 LYS 34 OK 35 92 - 38 - 3.0/10519=5, ~10799=4...(13) HG3 ARG 49 - HB2 LYS 34 lone 6 68 - 9 - 6179/4.6=1 HG3 ARG 144 - HB2 LYS 34 lone 2 77 - 2 - HG3 LYS 48 - HB2 LYS 34 lone 1 68 - 2 - Peak 499 from aliabs.peaks (1.79, 1.96, 31.69 ppm; 3.18 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 34 + HB2 LYS 34 OK 99 100 - 99 - 3.4=83, 1.8/550=10...(85) HD3 LYS 34 + HB2 LYS 34 OK 93 94 - 99 - 3.4=83, 1.8/539=10...(85) HD3 LYS 86 + HB2 LYS 34 OK 53 94 - 56 - 521/2.9=4, 532/2.9=4...(34) HG2 PRO 57 - HB2 LYS 34 OK 41 96 - 42 - 1.8/497=6, 1533/2.9=3...(20) HG LEU 72 - HB2 LYS 34 OK 20 85 - 23 - 2.1/11609=2, 532/2.9=1...(8) HB3 LEU 72 - HB2 LYS 34 OK 15 62 - 24 - 3.2/11609=2, ~2120=1...(9) HB3 ARG 145 - HB2 LYS 34 lone 6 100 - 6 - HB3 ARG 55 - HB2 LYS 34 lone 2 81 - 2 - Peak 500 from aliabs.peaks (1.80, 1.96, 31.69 ppm; 3.18 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 34 + HB2 LYS 34 OK 99 100 - 99 - 3.4=83, 1.8/539=10...(85) HD2 LYS 34 + HB2 LYS 34 OK 93 94 - 99 - 3.4=83, 1.8/550=10...(85) HD3 LYS 86 + HB2 LYS 34 OK 56 100 - 56 - 522/2.9=4, 533/2.9=4...(34) HG2 PRO 57 - HB2 LYS 34 OK 42 100 - 43 - 1.8/497=6, 1533/2.9=4...(20) HB2 LYS 24 - HB2 LYS 34 OK 32 62 - 51 - 10880/3.4=4, 3.7/498=3...(30) HB2 ARG 124 - HB2 LYS 34 OK 28 81 - 35 - ~10799=5, 4207=3...(16) HB3 LEU 72 - HB2 LYS 34 OK 24 92 - 27 - 2129/3.4=2, 2129/3.4=2...(10) HB3 ARG 145 - HB2 LYS 34 lone 5 89 - 6 - Peak 501 from aliabs.peaks (3.05, 1.96, 31.69 ppm; 4.81 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 4.6=100 HE3 LYS 34 + HB2 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB2 LYS 34 OK 82 89 - 92 - 535/2.9=8, 524/2.9=8...(64) HE2 LYS 86 + HB2 LYS 34 OK 80 85 - 93 - 535/2.9=9, 524/2.9=8...(70) HB2 TYR 27 - HB2 LYS 34 OK 25 98 - 26 - ~11170=9, ~10889=3...(8) HB2 HIS 10 - HB2 LYS 34 OK 23 77 - 30 - 4.0/8098=20, 4.7/10973=4...(4) HB3 ASP 65 - HB2 LYS 34 lone 3 68 - 4 - 10904/10584=2 Peak 502 from aliabs.peaks (3.06, 1.96, 31.69 ppm; 4.81 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 34 + HB2 LYS 34 OK 100 100 - 100 - 4.6=100 HE2 LYS 34 + HB2 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB2 LYS 34 OK 90 98 - 92 - 535/2.9=9, 524/2.9=9...(64) HE2 LYS 86 + HB2 LYS 34 OK 90 96 - 94 - 535/2.9=9, 524/2.9=9...(70) HB2 TYR 27 - HB2 LYS 34 OK 26 100 - 26 - ~11170=9, ~10889=3...(8) HB3 ASP 30 - HB2 LYS 34 lone 5 72 - 7 - 3.8/11172=3 HB3 TRP 88 - HB2 LYS 34 lone 2 62 - 3 - Peak 505 from aliabs.peaks (4.07, 2.03, 31.69 ppm; 3.58 A): 3 out of 12 assignments used, quality = 1.00: * HA LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.0=100 HA GLU 90 + HB3 LYS 34 OK 69 100 - 70 - 2909=14, 3.0/2926=9...(30) HA LYS 34 + HB2 PRO 33 OK 63 72 - 88 - 3.0/6165=12, 485=11...(43) HA LEU 26 - HB3 LYS 34 OK 42 77 - 55 - 494/1.8=6, 485=5...(26) HD3 PRO 118 - HB2 PRO 33 OK 27 37 - 71 - 479/2.3=8, 471/2.3=8...(40) HA VAL 53 - HB3 LYS 34 OK 23 96 - 24 - ~10581=3, 494/1.8=3...(6) HD3 PRO 118 - HB3 LYS 34 OK 19 62 - 31 - ~10581=5, 6161/4.1=3...(12) HA VAL 53 - HB2 PRO 33 OK 19 65 - 29 - 1383/2.3=4, 1383/2.3=3...(12) HA LEU 26 - HB2 PRO 33 OK 18 48 - 38 - 482/4.3=4, ~9793=4...(16) HA LEU 132 - HB3 LYS 34 OK 17 100 - 16 - 494/1.8=2, 516/2.9=2...(4) HA GLU 90 - HB2 PRO 33 poor 8 70 - 12 - 6163/4.3=2, 2909=2 HA LEU 132 - HB2 PRO 33 lone 4 70 - 5 - ~7664=2 Peak 506 from aliabs.peaks (1.96, 2.03, 31.69 ppm; 2.98 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 1.8=100 HB2 LYS 34 + HB2 PRO 33 OK 58 72 - 81 - 496=12, 6164/4.3=9...(45) HB3 PRO 98 + HB3 LYS 34 OK 51 77 - 66 - 528/2.9=5, 517/2.9=5...(41) HB3 MET 11 - HB3 LYS 34 OK 44 100 - 44 - ~20=5, 484/3.0=4, 496=4...(22) HB3 MET 11 - HB2 PRO 33 OK 37 71 - 53 - 27/1.8=7, ~21=4, ~21=4...(31) HB2 LYS 61 - HB3 LYS 34 OK 17 96 - 17 - ~1673=2, 528/2.9=2...(7) HB3 GLU 122 - HB3 LYS 34 OK 14 81 - 18 - 517/2.9=2, 528/2.9=2...(6) HB3 PRO 98 - HB2 PRO 33 poor 9 48 - 17 - 6164/4.3=1, 1.8/3261=1, 3269=1 HB3 GLU 122 - HB2 PRO 33 poor 8 51 - 16 - ~10997=2, ~10994=2...(5) HG2 PRO 12 - HB3 LYS 34 poor 7 62 - 11 - ~10582=1, ~8011=1...(4) HB2 LYS 61 - HB2 PRO 33 lone 6 65 - 9 - 1663/2.3=1 HG2 PRO 12 - HB2 PRO 33 lone 2 37 - 6 - ~8014=2 Peak 507 from aliabs.peaks (2.03, 2.03, 31.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 HB2 PRO 33 + HB2 PRO 33 OK 60 60 - 100 Peak 508 from aliabs.peaks (1.51, 2.03, 31.69 ppm; 4.05 A): 4 out of 10 assignments used, quality = 1.00: * HG2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 2.9=100 HG2 LYS 34 + HB2 PRO 33 OK 67 72 - 94 - 515/4.3=19, 10994/2.3=17...(43) HG3 PRO 57 + HB3 LYS 34 OK 54 77 - 70 - 497/1.8=9, 530/2.9=7...(39) HG13 ILE 101 + HB3 LYS 34 OK 46 62 - 73 - 2.1/9180=23, 530/2.9=8...(28) HG3 PRO 57 - HB2 PRO 33 OK 34 48 - 70 - ~11514=10, 10609/2.3=9...(22) HB2 LYS 123 - HB3 LYS 34 OK 18 94 - 19 - 497/1.8=4, ~4120=2...(9) HG13 ILE 101 - HB2 PRO 33 OK 14 37 - 37 - 2.1/9180=8, 10994/2.3=5...(13) HD3 LYS 114 - HB3 LYS 34 OK 13 57 - 23 - 6178/4.6=4, 497/1.8=3...(10) HD3 LYS 114 - HB2 PRO 33 lone 3 34 - 7 - 6166/4.3=2, 10994/2.3=1 HB2 LYS 123 - HB2 PRO 33 lone 2 63 - 4 - Peak 509 from aliabs.peaks (1.63, 2.03, 31.69 ppm; 4.00 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 2.9=100 HG3 LYS 34 + HB2 PRO 33 OK 67 72 - 94 - 526/4.3=19, 529=14...(45) HD2 LYS 24 + HB3 LYS 34 OK 51 100 - 51 - 498/1.8=8, 487/3.0=6...(22) HB3 LEU 64 + HB3 LYS 34 OK 48 100 - 49 - 498/1.8=8, 520/2.9=6...(23) HB2 LEU 87 - HB3 LYS 34 OK 42 92 - 46 - 3.0/10799=8, 3.1/8898=7...(16) HD2 LYS 24 - HB2 PRO 33 OK 31 72 - 44 - ~10894=7, 11312/3.0=7...(13) HB2 LEU 87 - HB2 PRO 33 OK 13 60 - 21 - 10995/2.3=3, ~10525=2...(10) HG3 ARG 49 - HB3 LYS 34 poor 8 68 - 11 - 6179/4.6=1, 498/1.8=1 HB3 LEU 64 - HB2 PRO 33 lone 6 72 - 8 - ~11243=2 HG3 ARG 49 - HB2 PRO 33 lone 4 41 - 9 - 10995/2.3=1 HG3 ARG 144 - HB3 LYS 34 lone 2 77 - 3 - HG3 LYS 48 - HB3 LYS 34 lone 2 68 - 3 - HG3 LYS 48 - HB2 PRO 33 lone 1 41 - 2 - HG3 ARG 144 - HB2 PRO 33 lone 1 48 - 1 - Peak 510 from aliabs.peaks (1.79, 2.03, 31.69 ppm; 3.80 A): 6 out of 16 assignments used, quality = 1.00: * HD2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.4=100 HD3 LYS 34 + HB3 LYS 34 OK 94 94 - 100 - 3.4=100 HD3 LYS 86 + HB3 LYS 34 OK 69 94 - 73 - 499/1.8=7, 521/2.9=6...(50) HD2 LYS 34 + HB2 PRO 33 OK 62 72 - 87 - 548/4.3=9, 2.9/518=8...(48) HD3 LYS 34 + HB2 PRO 33 OK 55 63 - 87 - 2.9/518=8, 2.9/529=8...(48) HG2 PRO 57 + HB3 LYS 34 OK 53 96 - 56 - ~497=6, 499/1.8=5...(27) HG2 PRO 57 - HB2 PRO 33 OK 42 65 - 64 - ~11514=9, ~9793=8...(22) HG LEU 72 - HB3 LYS 34 OK 28 85 - 33 - ~11609=3, 499/1.8=3...(19) HB3 LEU 72 - HB3 LYS 34 OK 22 62 - 35 - 500/1.8=3, ~11609=2...(17) HB3 ARG 145 - HB3 LYS 34 lone 8 100 - 8 - HD3 LYS 86 - HB2 PRO 33 lone 5 63 - 8 - 6168/4.3=2 HG LEU 72 - HB2 PRO 33 lone 4 55 - 7 - ~9952=1, ~9944=1 HB3 LEU 72 - HB2 PRO 33 lone 2 37 - 5 - HB3 ARG 55 - HB3 LYS 34 lone 2 81 - 2 - HB3 ARG 145 - HB2 PRO 33 lone 1 71 - 1 - HB3 ARG 55 - HB2 PRO 33 lone 0 51 - 1 - Peak 511 from aliabs.peaks (1.80, 2.03, 31.69 ppm; 3.80 A): 7 out of 16 assignments used, quality = 1.00: * HD3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 3.4=100 HD2 LYS 34 + HB3 LYS 34 OK 94 94 - 100 - 3.4=100 HD3 LYS 86 + HB3 LYS 34 OK 73 100 - 73 - 500/1.8=7, 522/2.9=5...(50) HD3 LYS 34 + HB2 PRO 33 OK 62 72 - 87 - 537/4.3=9, 2.9/518=8...(48) HG2 PRO 57 + HB3 LYS 34 OK 56 100 - 56 - ~497=6, 1.8/508=5...(28) HD2 LYS 34 + HB2 PRO 33 OK 55 63 - 87 - 2.9/518=8, 2.9/529=8...(48) HG2 PRO 57 + HB2 PRO 33 OK 46 71 - 64 - ~11514=9, ~9793=8...(23) HB2 LYS 24 - HB3 LYS 34 OK 41 62 - 65 - 10880/3.4=6, ~10885=5...(35) HB2 ARG 124 - HB3 LYS 34 OK 36 81 - 44 - 3.0/10799=11, 4207/1.8=4...(23) HB3 LEU 72 - HB3 LYS 34 OK 34 92 - 37 - 2129/3.4=3, 2129/3.4=3...(17) HB2 LYS 24 - HB2 PRO 33 OK 17 37 - 46 - ~10894=6, ~11372=6...(22) HB3 ARG 145 - HB3 LYS 34 lone 7 89 - 8 - HD3 LYS 86 - HB2 PRO 33 lone 5 72 - 7 - 6168/4.3=2 HB2 ARG 124 - HB2 PRO 33 lone 4 51 - 9 - 3.0/10799=2, ~9791=1...(4) HB3 LEU 72 - HB2 PRO 33 lone 4 60 - 6 - HB3 ARG 145 - HB2 PRO 33 lone 1 58 - 1 - Peak 512 from aliabs.peaks (3.05, 2.03, 31.69 ppm; 5.01 A): 4 out of 14 assignments used, quality = 1.00: * HE2 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 4.6=100 HE3 LYS 34 + HB3 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB3 LYS 34 OK 84 89 - 94 - 502/1.8=9, 535/2.9=9...(64) HE2 LYS 86 + HB3 LYS 34 OK 81 85 - 95 - 502/1.8=9, 535/2.9=9...(70) HE2 LYS 34 - HB2 PRO 33 OK 43 72 - 60 - 3.7/518=11, 3.7/529=11...(12) HE3 LYS 34 - HB2 PRO 33 OK 42 69 - 60 - 3.7/518=11, 3.7/529=11...(12) HB2 TYR 27 - HB3 LYS 34 OK 27 98 - 28 - ~11170=9, ~10889=3...(8) HB2 TYR 27 - HB2 PRO 33 OK 13 67 - 19 - 11367/3.0=7, ~11368=6...(4) HB2 HIS 10 - HB3 LYS 34 poor 8 77 - 10 - 3.0/10799=3, 501/1.8=2 HE3 LYS 86 - HB2 PRO 33 poor 8 58 - 14 - 6171/4.3=4, 8446/1.8=2...(5) HE2 LYS 86 - HB2 PRO 33 poor 8 55 - 14 - 6171/4.3=4, 8446/1.8=2...(5) HB3 ASP 65 - HB3 LYS 34 lone 2 68 - 3 - HB2 HIS 10 - HB2 PRO 33 lone 1 48 - 3 - HB3 ASP 65 - HB2 PRO 33 lone 1 41 - 3 - Peak 513 from aliabs.peaks (3.06, 2.03, 31.69 ppm; 5.01 A): 4 out of 14 assignments used, quality = 1.00: * HE3 LYS 34 + HB3 LYS 34 OK 100 100 - 100 - 4.6=100 HE2 LYS 34 + HB3 LYS 34 OK 99 99 - 100 - 4.6=100 HE3 LYS 86 + HB3 LYS 34 OK 92 98 - 94 - 502/1.8=9, 535/2.9=9...(64) HE2 LYS 86 + HB3 LYS 34 OK 92 96 - 95 - 502/1.8=9, 535/2.9=9...(70) HE3 LYS 34 - HB2 PRO 33 OK 44 72 - 61 - 3.7/518=11, 3.7/529=11...(12) HE2 LYS 34 - HB2 PRO 33 OK 42 69 - 61 - 3.7/518=11, 3.7/529=11...(12) HB2 TYR 27 - HB3 LYS 34 OK 28 100 - 28 - ~11170=9, ~10889=3...(8) HB2 TYR 27 - HB2 PRO 33 OK 14 71 - 20 - 11367/3.0=7, ~11368=6...(5) HE3 LYS 86 - HB2 PRO 33 poor 10 67 - 14 - 6171/4.3=5, 8446/1.8=2...(5) HE2 LYS 86 - HB2 PRO 33 poor 9 65 - 14 - 6171/4.3=5, 8446/1.8=2...(5) HB3 ASP 30 - HB3 LYS 34 lone 3 72 - 4 - HB3 TRP 88 - HB3 LYS 34 lone 2 62 - 4 - HB3 ASP 30 - HB2 PRO 33 lone 1 44 - 3 - HB3 TRP 88 - HB2 PRO 33 lone 1 37 - 2 - Peak 516 from aliabs.peaks (4.07, 1.51, 25.32 ppm; 3.33 A): 2 out of 6 assignments used, quality = 0.96: * HA LYS 34 + HG2 LYS 34 OK 94 100 - 94 - 4.0=59, 3.0/515=19...(34) HA GLU 90 + HG2 LYS 34 OK 41 100 - 41 - 2909/2.9=9, 527/1.8=7...(15) HA LEU 26 - HG2 LYS 34 OK 34 77 - 45 - 486=7, 527/1.8=6...(16) HA LEU 132 - HG2 LYS 34 OK 14 100 - 14 - 2.8/10425=3, 527/1.8=2...(4) HA VAL 53 - HG2 LYS 34 OK 13 96 - 13 - 527/1.8=2, 494/2.9=2...(4) HD3 PRO 118 - HG2 LYS 34 OK 11 62 - 18 - ~10522=2, 2.3/11479=2...(9) Peak 517 from aliabs.peaks (1.96, 1.51, 25.32 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 2.9=100 HB3 PRO 98 + HG2 LYS 34 OK 57 77 - 74 - ~9131=9, 528/1.8=9...(46) HB3 MET 11 - HG2 LYS 34 OK 44 100 - 44 - 528/1.8=6, 497=5...(21) HB3 GLU 122 - HG2 LYS 34 OK 21 81 - 25 - 528/1.8=3, 4075=3...(13) HB2 LYS 61 - HG2 LYS 34 OK 19 96 - 20 - 528/1.8=3, ~10968=2...(7) HG2 PRO 12 - HG2 LYS 34 poor 6 62 - 10 - ~10808=2, ~8011=1 Peak 518 from aliabs.peaks (2.03, 1.51, 25.32 ppm; 3.43 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 2.9=100 HB2 PRO 33 + HG2 LYS 34 OK 77 92 - 84 - 4.3/515=14, 2.3/10997=12...(42) HG2 PRO 98 + HG2 LYS 34 OK 52 68 - 77 - ~9131=11, 2.3/9138=9...(42) HB2 GLU 90 - HG2 LYS 34 OK 34 68 - 50 - 529/1.8=6, 3.0/516=5...(25) HB2 GLU 37 - HG2 LYS 34 OK 25 98 - 26 - 10766/4.0=5, 496/2.9=3...(10) HB3 GLU 37 - HG2 LYS 34 OK 24 94 - 25 - 10766/4.0=5, 496/2.9=3...(10) Peak 519 from aliabs.peaks (1.51, 1.51, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 34 + HG2 LYS 34 OK 100 100 - 100 Peak 520 from aliabs.peaks (1.63, 1.51, 25.32 ppm; 2.73 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 1.8=100 HB3 LEU 64 - HG2 LYS 34 OK 26 100 - 26 - 3.2/10626=3, 498/2.9=3...(13) HD2 LYS 24 - HG2 LYS 34 OK 25 100 - 25 - 498/2.9=3, 542/2.9=2...(12) HB2 LEU 87 - HG2 LYS 34 OK 19 92 - 21 - 498/2.9=2, 487/4.0=2...(10) HG3 ARG 49 - HG2 LYS 34 lone 3 68 - 5 - HG3 ARG 144 - HG2 LYS 34 lone 1 77 - 1 - HG3 LYS 48 - HG2 LYS 34 lone 1 68 - 1 - Peak 521 from aliabs.peaks (1.79, 1.51, 25.32 ppm; 2.80 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 34 + HG2 LYS 34 OK 98 100 - 98 - 2.9=89, 1.8/552=11...(47) HD3 LYS 34 + HG2 LYS 34 OK 93 94 - 98 - 2.9=89, 1.8/541=11...(47) HD3 LYS 86 - HG2 LYS 34 OK 44 94 - 47 - 532/1.8=5, 3.0/524=3...(22) HG2 PRO 57 - HG2 LYS 34 OK 33 96 - 34 - 532/1.8=4, ~530=3...(18) HG LEU 72 - HG2 LYS 34 OK 15 85 - 17 - 532/1.8=2, 2136/2.9=1...(4) HB3 LEU 72 - HG2 LYS 34 OK 11 62 - 18 - 533/1.8=2, ~2120=1...(4) HB3 ARG 145 - HG2 LYS 34 lone 4 100 - 4 - HB3 ARG 55 - HG2 LYS 34 lone 1 81 - 1 - Peak 522 from aliabs.peaks (1.80, 1.51, 25.32 ppm; 2.80 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 34 + HG2 LYS 34 OK 98 100 - 98 - 2.9=89, 1.8/541=11...(47) HD2 LYS 34 + HG2 LYS 34 OK 93 94 - 98 - 2.9=89, 1.8/552=11...(47) HD3 LYS 86 + HG2 LYS 34 OK 47 100 - 47 - 533/1.8=5, 3.0/524=3...(22) HG2 PRO 57 - HG2 LYS 34 OK 34 100 - 34 - 533/1.8=3, ~530=3...(18) HB2 LYS 24 - HG2 LYS 34 OK 26 62 - 42 - 10880/2.9=4, ~11330=3...(19) HB3 LEU 72 - HG2 LYS 34 OK 19 92 - 20 - 533/1.8=2, 2129/2.9=2...(6) HB2 ARG 124 - HG2 LYS 34 OK 18 81 - 23 - 1.8/517=3, ~10799=2...(8) HB3 ARG 145 - HG2 LYS 34 lone 4 89 - 4 - Peak 523 from aliabs.peaks (3.05, 1.51, 25.32 ppm; 3.67 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 3.7=97, 1.8/574=17...(61) HE3 LYS 34 + HG2 LYS 34 OK 99 99 - 100 - 3.7=97, 1.8/563=17...(60) HE3 LYS 86 + HG2 LYS 34 OK 67 89 - 75 - 535/1.8=7, 574=6...(52) HE2 LYS 86 + HG2 LYS 34 OK 66 85 - 77 - 535/1.8=8, 574=6...(55) HB2 TYR 27 - HG2 LYS 34 OK 16 98 - 17 - 2.6/11170=7, 534/1.8=2...(5) HB2 HIS 10 - HG2 LYS 34 lone 4 77 - 5 - 501/2.9=1 HB3 ASP 65 - HG2 LYS 34 lone 1 68 - 2 - Peak 524 from aliabs.peaks (3.06, 1.51, 25.32 ppm; 3.67 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 34 + HG2 LYS 34 OK 100 100 - 100 - 3.7=97, 1.8/563=17...(60) HE2 LYS 34 + HG2 LYS 34 OK 99 99 - 100 - 3.7=97, 1.8/574=17...(61) HE2 LYS 86 + HG2 LYS 34 OK 75 96 - 78 - 535/1.8=8, 574=6...(55) HE3 LYS 86 + HG2 LYS 34 OK 74 98 - 76 - 535/1.8=8, 574=6...(52) HB2 TYR 27 - HG2 LYS 34 OK 17 100 - 17 - 2.6/11170=7, 535/1.8=2...(5) HB3 ASP 30 - HG2 LYS 34 lone 4 72 - 5 - 3.8/11171=2 HB3 TRP 88 - HG2 LYS 34 lone 2 62 - 3 - Peak 527 from aliabs.peaks (4.07, 1.63, 25.32 ppm; 3.50 A): 2 out of 6 assignments used, quality = 0.98: * HA LYS 34 + HG3 LYS 34 OK 97 100 - 97 - 4.0=68, 486/1.8=25...(34) HA GLU 90 + HG3 LYS 34 OK 48 100 - 48 - 2909/2.9=9, 516/1.8=8...(17) HA LEU 26 - HG3 LYS 34 OK 40 77 - 51 - 3.0/10968=7, 516/1.8=6...(19) HA VAL 53 - HG3 LYS 34 OK 13 96 - 14 - 516/1.8=2, 494/2.9=2...(5) HA LEU 132 - HG3 LYS 34 OK 13 100 - 13 - 516/1.8=3, ~10425=2...(4) HD3 PRO 118 - HG3 LYS 34 OK 12 62 - 20 - 3.0/10522=3, 6161/5.0=2...(8) Peak 528 from aliabs.peaks (1.96, 1.63, 25.32 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 2.9=100 HB3 PRO 98 + HG3 LYS 34 OK 58 77 - 76 - 3.0/9131=13, 517/1.8=8...(48) HB3 MET 11 - HG3 LYS 34 OK 42 100 - 42 - 517/1.8=6, 498=4...(21) HB2 LYS 61 - HG3 LYS 34 OK 19 96 - 19 - 517/1.8=3, 1.8/10968=2...(6) HB3 GLU 122 - HG3 LYS 34 OK 19 81 - 23 - 1.8/530=3, 517/1.8=3...(11) HG2 PRO 12 - HG3 LYS 34 lone 6 62 - 10 - ~10808=2, ~8011=1 Peak 529 from aliabs.peaks (2.03, 1.63, 25.32 ppm; 3.46 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 2.9=100 HB2 PRO 33 + HG3 LYS 34 OK 79 92 - 86 - 4.3/526=14, 2.3/10995=10...(44) HG2 PRO 98 + HG3 LYS 34 OK 54 68 - 80 - 2.3/9131=17, 1.8/10968=8...(44) HB2 GLU 90 - HG3 LYS 34 OK 34 68 - 51 - 3.0/11492=6, 518/1.8=6...(24) HB2 GLU 37 - HG3 LYS 34 OK 26 98 - 26 - 10766/4.0=5, 496/2.9=3...(10) HB3 GLU 37 - HG3 LYS 34 OK 24 94 - 26 - 10766/4.0=5, 496/2.9=3...(10) Peak 530 from aliabs.peaks (1.51, 1.63, 25.32 ppm; 2.69 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 34 + HG3 LYS 34 OK 100 100 - 100 - 1.8=100 HG3 PRO 57 - HG3 LYS 34 OK 29 77 - 38 - 1.8/532=4, 497/2.9=3...(17) HG13 ILE 101 - HG3 LYS 34 OK 23 62 - 38 - 2.1/10178=4, ~9180=4...(19) HB2 LYS 123 - HG3 LYS 34 lone 9 94 - 10 - 497/2.9=1, ~4120=1...(4) HD3 LYS 114 - HG3 LYS 34 poor 6 57 - 10 - ~3794=1 Peak 531 from aliabs.peaks (1.63, 1.63, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 34 + HG3 LYS 34 OK 100 100 - 100 Peak 532 from aliabs.peaks (1.79, 1.63, 25.32 ppm; 2.69 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 34 + HG3 LYS 34 OK 96 100 - 96 - 2.9=79, 541/1.8=11...(46) HD3 LYS 34 + HG3 LYS 34 OK 91 94 - 96 - 2.9=79, 1.8/542=10...(46) HD3 LYS 86 - HG3 LYS 34 OK 41 94 - 43 - 521/1.8=4, 3.0/535=3...(19) HG2 PRO 57 - HG3 LYS 34 OK 32 96 - 33 - 1.8/530=6, 521/1.8=3...(15) HG LEU 72 - HG3 LYS 34 OK 14 85 - 17 - 521/1.8=2, 2136/2.9=1, 499/2.9=1 HB3 LEU 72 - HG3 LYS 34 OK 11 62 - 17 - 522/1.8=1, ~2120=1...(4) HB3 ARG 145 - HG3 LYS 34 lone 4 100 - 4 - HB3 ARG 55 - HG3 LYS 34 lone 1 81 - 1 - Peak 533 from aliabs.peaks (1.80, 1.63, 25.32 ppm; 2.69 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 34 + HG3 LYS 34 OK 96 100 - 96 - 2.9=79, 552/1.8=11...(46) HD2 LYS 34 + HG3 LYS 34 OK 91 94 - 96 - 2.9=79, 1.8/553=10...(46) HD3 LYS 86 - HG3 LYS 34 OK 43 100 - 43 - 522/1.8=4, 3.0/535=3...(19) HG2 PRO 57 - HG3 LYS 34 OK 33 100 - 33 - 1.8/530=6, 522/1.8=3...(15) HB2 LYS 24 - HG3 LYS 34 OK 24 62 - 38 - 3.0/11319=4, 3.0/10905=4...(14) HB3 LEU 72 - HG3 LYS 34 OK 17 92 - 19 - 522/1.8=2, 2129/2.9=2...(6) HB2 ARG 124 - HG3 LYS 34 OK 16 81 - 20 - 1.8/528=3, ~10799=2...(6) HB3 ARG 145 - HG3 LYS 34 lone 3 89 - 4 - Peak 534 from aliabs.peaks (3.05, 1.63, 25.32 ppm; 3.47 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 34 + HG3 LYS 34 OK 99 100 - 99 - 3.7=83, 563/1.8=16...(61) HE3 LYS 34 + HG3 LYS 34 OK 98 99 - 99 - 3.7=83, 574/1.8=16...(59) HE3 LYS 86 + HG3 LYS 34 OK 63 89 - 71 - 524/1.8=6, 3.0/532=5...(47) HE2 LYS 86 + HG3 LYS 34 OK 62 85 - 73 - 524/1.8=7, 3.0/532=5...(50) HB2 TYR 27 - HG3 LYS 34 OK 16 98 - 16 - ~11170=5, 3.9/6091=2...(5) HB2 HIS 10 - HG3 LYS 34 lone 3 77 - 4 - HB3 ASP 65 - HG3 LYS 34 lone 2 68 - 3 - 6666/9798=1 Peak 535 from aliabs.peaks (3.06, 1.63, 25.32 ppm; 3.47 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 34 + HG3 LYS 34 OK 99 100 - 99 - 3.7=83, 574/1.8=16...(59) HE2 LYS 34 + HG3 LYS 34 OK 98 99 - 99 - 3.7=83, 574/1.8=15...(61) HE2 LYS 86 + HG3 LYS 34 OK 70 96 - 73 - 524/1.8=7, 3.0/532=5...(50) HE3 LYS 86 + HG3 LYS 34 OK 69 98 - 71 - 524/1.8=7, 575=5...(47) HB2 TYR 27 - HG3 LYS 34 OK 16 100 - 16 - ~11170=5, 3.9/6091=2...(6) HB3 ASP 30 - HG3 LYS 34 lone 2 72 - 2 - HB3 TRP 88 - HG3 LYS 34 lone 1 62 - 2 - Peak 538 from aliabs.peaks (4.07, 1.79, 28.26 ppm; 3.13 A): 2 out of 12 assignments used, quality = 0.97: * HA LYS 34 + HD2 LYS 34 OK 90 100 - 90 - 4.7=29, 486/2.9=15...(46) HA LYS 34 + HD3 LYS 34 OK 72 81 - 90 - 4.7=29, 486/2.9=15...(46) HA GLU 90 - HD2 LYS 34 OK 35 100 - 35 - 2909/3.4=7, 527/2.9=5...(13) HA LEU 26 - HD2 LYS 34 OK 28 77 - 37 - 516/2.9=4, 527/2.9=4...(18) HA GLU 90 - HD3 LYS 34 OK 27 79 - 35 - 2909/3.4=7, 527/2.9=5...(13) HA LEU 26 - HD3 LYS 34 OK 20 55 - 36 - 516/2.9=4, 527/2.9=4...(17) HD3 PRO 118 - HD2 LYS 34 poor 9 62 - 14 - 3.0/10807=2, ~10807=2...(7) HA VAL 53 - HD2 LYS 34 lone 8 96 - 9 - 494/3.4=2, 516/2.9=1...(4) HA LEU 132 - HD2 LYS 34 lone 8 100 - 8 - 516/2.9=2, 527/2.9=1...(4) HA LEU 132 - HD3 LYS 34 lone 6 79 - 8 - 516/2.9=2, 527/2.9=1...(4) HA VAL 53 - HD3 LYS 34 lone 6 74 - 8 - 494/3.4=2, 516/2.9=1...(4) HD3 PRO 118 - HD3 LYS 34 poor 6 43 - 14 - 3.0/10807=2, ~10807=2...(8) Peak 539 from aliabs.peaks (1.96, 1.79, 28.26 ppm; 2.94 A): 2 out of 12 assignments used, quality = 0.99: * HB2 LYS 34 + HD2 LYS 34 OK 97 100 - 97 - 3.4=65, 499/1.8=9...(75) HB2 LYS 34 + HD3 LYS 34 OK 78 81 - 97 - 3.4=65, 500/1.8=9...(75) HB3 PRO 98 - HD2 LYS 34 OK 44 77 - 57 - 528/2.9=5, 517/2.9=5...(32) HB3 PRO 98 - HD3 LYS 34 OK 31 55 - 57 - 528/2.9=5, 517/2.9=5...(32) HB3 MET 11 - HD2 LYS 34 OK 30 100 - 30 - 517/2.9=4, 528/2.9=4...(13) HB3 MET 11 - HD3 LYS 34 OK 24 80 - 29 - 517/2.9=4, 528/2.9=4...(13) HB3 GLU 122 - HD2 LYS 34 OK 13 81 - 16 - 517/2.9=2, 528/2.9=2, 1.8/552=1 HB2 LYS 61 - HD2 LYS 34 OK 11 96 - 11 - 528/2.9=2, 517/2.9=2 HB3 GLU 122 - HD3 LYS 34 poor 9 59 - 16 - 517/2.9=2, 528/2.9=2, 1.8/552=1 HB2 LYS 61 - HD3 LYS 34 poor 8 74 - 11 - 528/2.9=2, 517/2.9=2 HG2 PRO 12 - HD2 LYS 34 poor 6 62 - 10 - 2.3/10808=4, ~10808=2 HG2 PRO 12 - HD3 LYS 34 lone 4 43 - 10 - 2.3/10808=3, ~10808=2 Peak 540 from aliabs.peaks (2.03, 1.79, 28.26 ppm; 3.06 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 34 + HD2 LYS 34 OK 98 100 - 98 - 3.4=74, 1.8/499=10...(75) HB3 LYS 34 + HD3 LYS 34 OK 79 81 - 98 - 3.4=74, 1.8/499=9...(75) HB2 PRO 33 + HD2 LYS 34 OK 63 92 - 69 - 518/2.9=6, 4.3/537=5...(40) HB2 PRO 33 + HD3 LYS 34 OK 47 69 - 68 - 518/2.9=6, 529/2.9=5...(40) HG2 PRO 98 - HD2 LYS 34 OK 43 68 - 63 - ~9131=6, ~9138=4...(44) HG2 PRO 98 - HD3 LYS 34 OK 30 47 - 63 - ~9131=6, ~9138=4...(44) HB2 GLU 90 - HD2 LYS 34 OK 25 68 - 38 - 518/2.9=3, 529/2.9=3...(21) HB2 GLU 37 - HD2 LYS 34 OK 20 98 - 21 - 4.0/10801=3, 10766/4.7=3...(6) HB3 GLU 37 - HD2 LYS 34 OK 19 94 - 20 - 4.0/10801=3, 10766/4.7=3...(6) HB2 GLU 90 - HD3 LYS 34 OK 18 47 - 37 - 518/2.9=3, 529/2.9=3...(21) HB2 GLU 37 - HD3 LYS 34 OK 15 76 - 19 - 10766/4.7=3, 4.0/10801=3...(6) HB3 GLU 37 - HD3 LYS 34 OK 14 71 - 19 - 10766/4.7=3, 4.0/10801=3...(6) Peak 541 from aliabs.peaks (1.51, 1.79, 28.26 ppm; 2.71 A): 2 out of 10 assignments used, quality = 0.99: * HG2 LYS 34 + HD2 LYS 34 OK 96 100 - 96 - 2.9=81, 1.8/532=11...(46) HG2 LYS 34 + HD3 LYS 34 OK 78 81 - 96 - 2.9=81, 1.8/532=10...(46) HG3 PRO 57 - HD2 LYS 34 OK 36 77 - 47 - 530/2.9=4, 2.3/10524=4...(22) HG3 PRO 57 - HD3 LYS 34 OK 26 55 - 48 - 2.3/1524=4, 2.3/1516=4...(22) HG13 ILE 101 - HD2 LYS 34 OK 19 62 - 31 - 530/2.9=4, ~9180=3...(16) HG13 ILE 101 - HD3 LYS 34 OK 13 43 - 31 - 530/2.9=4, ~9180=3...(16) HB2 LYS 123 - HD2 LYS 34 lone 8 94 - 8 - 497/3.4=1, 530/2.9=1 HB2 LYS 123 - HD3 LYS 34 lone 6 71 - 8 - 497/3.4=1, 530/2.9=1 HD3 LYS 114 - HD2 LYS 34 lone 4 57 - 8 - 530/2.9=1 HD3 LYS 114 - HD3 LYS 34 lone 3 39 - 8 - 530/2.9=1 Peak 542 from aliabs.peaks (1.63, 1.79, 28.26 ppm; 2.74 A): 2 out of 14 assignments used, quality = 0.99: * HG3 LYS 34 + HD2 LYS 34 OK 97 100 - 97 - 2.9=83, 1.8/541=11...(46) HG3 LYS 34 + HD3 LYS 34 OK 78 81 - 97 - 2.9=83, 532/1.8=11...(46) HD2 LYS 24 - HD2 LYS 34 OK 31 100 - 31 - 3.7/10880=5, 3.0/10897=5...(12) HB3 LEU 64 - HD2 LYS 34 OK 25 100 - 25 - 3.1/9879=4, 520/2.9=3...(7) HD2 LYS 24 - HD3 LYS 34 OK 23 81 - 29 - 3.0/10897=4, 3.7/10880=4...(12) HB3 LEU 64 - HD3 LYS 34 OK 20 81 - 25 - 3.1/9879=4, 520/2.9=3...(7) HB2 LEU 87 - HD2 LYS 34 OK 16 92 - 18 - 520/2.9=2, 498/3.4=2...(6) HB2 LEU 87 - HD3 LYS 34 OK 12 69 - 17 - 520/2.9=2, 498/3.4=2...(6) HG3 ARG 49 - HD2 LYS 34 lone 3 68 - 4 - HG3 ARG 49 - HD3 LYS 34 lone 2 47 - 4 - HG3 ARG 144 - HD2 LYS 34 lone 1 77 - 1 - HG3 LYS 48 - HD2 LYS 34 lone 1 68 - 1 - HG3 ARG 144 - HD3 LYS 34 lone 1 55 - 1 - HG3 LYS 48 - HD3 LYS 34 lone 1 47 - 1 - Peak 543 from aliabs.peaks (1.79, 1.79, 28.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 34 + HD2 LYS 34 OK 100 100 - 100 HD3 LYS 34 + HD3 LYS 34 OK 71 71 - 100 Peak 544 from aliabs.peaks (1.80, 1.79, 28.26 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD2 LYS 34 + HD2 LYS 34 OK 94 94 - 100 HD3 LYS 34 + HD3 LYS 34 OK 81 81 - 100 Reference assignment not found: HD3 LYS 34 - HD2 LYS 34 Peak 545 from aliabs.peaks (3.05, 1.79, 28.26 ppm; 2.61 A): 6 out of 14 assignments used, quality = 1.00: * HE2 LYS 34 + HD2 LYS 34 OK 92 100 - 92 - 2.9=70, 563/2.9=7...(55) HE3 LYS 34 + HD2 LYS 34 OK 90 99 - 91 - 2.9=70, 574/2.9=7...(53) HE2 LYS 34 + HD3 LYS 34 OK 74 81 - 91 - 2.9=70, 563/2.9=7...(55) HE3 LYS 34 + HD3 LYS 34 OK 71 78 - 91 - 2.9=70, 574/2.9=7...(53) HE3 LYS 86 + HD2 LYS 34 OK 50 89 - 57 - 3.0/2732=4, 2765=4...(28) HE2 LYS 86 + HD2 LYS 34 OK 50 85 - 58 - 3.0/2732=4, 2765=4...(30) HE3 LYS 86 - HD3 LYS 34 OK 36 66 - 55 - 3.0/2732=4, 2765/1.8=3...(28) HE2 LYS 86 - HD3 LYS 34 OK 35 62 - 57 - 3.0/2732=4, 2765/1.8=3...(30) HB2 TYR 27 - HD2 LYS 34 lone 9 98 - 9 - ~11170=2 HB2 TYR 27 - HD3 LYS 34 lone 7 76 - 9 - ~11170=2 HB2 HIS 10 - HD2 LYS 34 lone 4 77 - 5 - 4.0/8099=2 HB2 HIS 10 - HD3 LYS 34 lone 3 55 - 5 - 4.0/8099=2 HB3 ASP 65 - HD2 LYS 34 lone 1 68 - 1 - HB3 ASP 65 - HD3 LYS 34 lone 1 47 - 1 - Peak 546 from aliabs.peaks (3.06, 1.79, 28.26 ppm; 2.61 A): 6 out of 14 assignments used, quality = 1.00: * HE3 LYS 34 + HD2 LYS 34 OK 92 100 - 92 - 2.9=70, 574/2.9=7...(53) HE2 LYS 34 + HD2 LYS 34 OK 91 99 - 92 - 2.9=70, 574/2.9=7...(55) HE3 LYS 34 + HD3 LYS 34 OK 74 81 - 91 - 2.9=70, 574/2.9=7...(53) HE2 LYS 34 + HD3 LYS 34 OK 71 78 - 91 - 2.9=70, 574/2.9=7...(55) HE2 LYS 86 + HD2 LYS 34 OK 57 96 - 59 - 2765=5, 3.0/2732=4...(30) HE3 LYS 86 + HD2 LYS 34 OK 56 98 - 57 - 2765=5, 3.0/2732=4...(28) HE2 LYS 86 - HD3 LYS 34 OK 42 74 - 57 - 3.0/2732=4, 2765/1.8=4...(30) HE3 LYS 86 - HD3 LYS 34 OK 42 76 - 56 - 3.0/2732=4, 2765/1.8=4...(28) HB2 TYR 27 - HD2 LYS 34 lone 9 100 - 9 - ~11170=2 HB2 TYR 27 - HD3 LYS 34 lone 7 80 - 9 - ~11170=2 HB3 ASP 30 - HD2 LYS 34 lone 2 72 - 2 - HB3 ASP 30 - HD3 LYS 34 lone 1 51 - 2 - HB3 TRP 88 - HD2 LYS 34 lone 1 62 - 1 - HB3 TRP 88 - HD3 LYS 34 lone 0 43 - 1 - Peak 549 from aliabs.peaks (4.07, 1.80, 28.26 ppm; 3.13 A): 2 out of 12 assignments used, quality = 0.97: * HA LYS 34 + HD3 LYS 34 OK 90 100 - 90 - 4.7=29, 486/2.9=15...(46) HA LYS 34 + HD2 LYS 34 OK 72 81 - 90 - 4.7=29, 486/2.9=15...(46) HA GLU 90 - HD3 LYS 34 OK 35 100 - 35 - 2909/3.4=7, 527/2.9=5...(13) HA LEU 26 - HD3 LYS 34 OK 28 77 - 36 - 516/2.9=4, 527/2.9=4...(17) HA GLU 90 - HD2 LYS 34 OK 27 79 - 34 - 2909/3.4=7, 527/2.9=5...(13) HA LEU 26 - HD2 LYS 34 OK 19 55 - 35 - 516/2.9=4, 527/2.9=4...(17) HD3 PRO 118 - HD3 LYS 34 poor 9 62 - 14 - 3.0/10807=2, ~10807=2...(8) HA LEU 132 - HD3 LYS 34 lone 8 100 - 8 - 516/2.9=2, 527/2.9=1...(4) HA VAL 53 - HD3 LYS 34 lone 8 96 - 8 - 494/3.4=2, 516/2.9=1...(4) HA LEU 132 - HD2 LYS 34 lone 6 79 - 8 - 516/2.9=2, 527/2.9=1...(4) HA VAL 53 - HD2 LYS 34 lone 6 74 - 8 - 494/3.4=2, 516/2.9=1...(4) HD3 PRO 118 - HD2 LYS 34 poor 6 43 - 14 - 3.0/10807=2, ~10807=2...(7) Peak 550 from aliabs.peaks (1.96, 1.80, 28.26 ppm; 2.94 A): 2 out of 12 assignments used, quality = 0.99: * HB2 LYS 34 + HD3 LYS 34 OK 97 100 - 97 - 3.4=65, 500/1.8=9...(74) HB2 LYS 34 + HD2 LYS 34 OK 78 81 - 97 - 3.4=65, 499/1.8=9...(75) HB3 PRO 98 - HD3 LYS 34 OK 44 77 - 57 - 528/2.9=5, 517/2.9=5...(32) HB3 PRO 98 - HD2 LYS 34 OK 31 55 - 57 - 528/2.9=5, 517/2.9=5...(32) HB3 MET 11 - HD3 LYS 34 OK 30 100 - 30 - 517/2.9=4, 528/2.9=4...(13) HB3 MET 11 - HD2 LYS 34 OK 24 80 - 30 - 517/2.9=4, 528/2.9=4...(13) HB3 GLU 122 - HD3 LYS 34 OK 13 81 - 16 - 517/2.9=2, 528/2.9=2, 1.8/541=1 HB2 LYS 61 - HD3 LYS 34 OK 11 96 - 11 - 528/2.9=2, 517/2.9=2 HB3 GLU 122 - HD2 LYS 34 poor 9 59 - 16 - 517/2.9=2, 528/2.9=2, 1.8/552=1 HB2 LYS 61 - HD2 LYS 34 poor 8 74 - 11 - 528/2.9=2, 517/2.9=2 HG2 PRO 12 - HD3 LYS 34 poor 6 62 - 10 - 2.3/10808=4, ~10808=2 HG2 PRO 12 - HD2 LYS 34 lone 4 43 - 10 - 2.3/10808=3, ~10808=2 Peak 551 from aliabs.peaks (2.03, 1.80, 28.26 ppm; 3.06 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 34 + HD3 LYS 34 OK 98 100 - 98 - 3.4=74, 1.8/500=10...(75) HB3 LYS 34 + HD2 LYS 34 OK 79 81 - 98 - 3.4=74, 1.8/500=9...(75) HB2 PRO 33 + HD3 LYS 34 OK 63 92 - 68 - 518/2.9=6, 4.3/548=5...(40) HB2 PRO 33 + HD2 LYS 34 OK 47 69 - 68 - 518/2.9=6, 529/2.9=5...(40) HG2 PRO 98 - HD3 LYS 34 OK 43 68 - 63 - ~9131=6, ~9138=4...(44) HG2 PRO 98 - HD2 LYS 34 OK 30 47 - 63 - ~9131=6, ~9138=4...(44) HB2 GLU 90 - HD3 LYS 34 OK 25 68 - 38 - 518/2.9=3, 529/2.9=3...(21) HB2 GLU 37 - HD3 LYS 34 OK 20 98 - 21 - 4.0/10801=3, 10766/4.7=3...(6) HB3 GLU 37 - HD3 LYS 34 OK 19 94 - 20 - 4.0/10801=3, 10766/4.7=3...(6) HB2 GLU 90 - HD2 LYS 34 OK 18 47 - 37 - 518/2.9=3, 529/2.9=3...(21) HB2 GLU 37 - HD2 LYS 34 OK 15 76 - 20 - 10766/4.7=3, 4.0/10801=3...(7) HB3 GLU 37 - HD2 LYS 34 OK 14 71 - 20 - 10766/4.7=3, 4.0/10801=3...(7) Peak 552 from aliabs.peaks (1.51, 1.80, 28.26 ppm; 2.71 A): 2 out of 10 assignments used, quality = 0.99: * HG2 LYS 34 + HD3 LYS 34 OK 96 100 - 96 - 2.9=81, 521/1.8=10...(45) HG2 LYS 34 + HD2 LYS 34 OK 78 81 - 96 - 2.9=81, 1.8/532=10...(46) HG3 PRO 57 - HD3 LYS 34 OK 36 77 - 47 - 530/2.9=4, 2.3/1524=3...(22) HG3 PRO 57 - HD2 LYS 34 OK 25 55 - 45 - 530/2.9=4, 497/3.4=3...(22) HG13 ILE 101 - HD3 LYS 34 OK 19 62 - 30 - 530/2.9=4, ~9180=3...(16) HG13 ILE 101 - HD2 LYS 34 OK 13 43 - 30 - 530/2.9=4, ~9180=3...(16) HB2 LYS 123 - HD3 LYS 34 lone 8 94 - 8 - 497/3.4=1, 530/2.9=1 HB2 LYS 123 - HD2 LYS 34 lone 6 71 - 8 - 497/3.4=1, 530/2.9=1 HD3 LYS 114 - HD3 LYS 34 lone 4 57 - 8 - 530/2.9=1 HD3 LYS 114 - HD2 LYS 34 lone 3 39 - 8 - 530/2.9=1 Peak 553 from aliabs.peaks (1.63, 1.80, 28.26 ppm; 2.74 A): 2 out of 14 assignments used, quality = 0.99: * HG3 LYS 34 + HD3 LYS 34 OK 97 100 - 97 - 2.9=83, 1.8/552=11...(45) HG3 LYS 34 + HD2 LYS 34 OK 78 81 - 97 - 2.9=83, 532/1.8=10...(46) HD2 LYS 24 - HD3 LYS 34 OK 28 100 - 28 - 3.0/10897=4, 520/2.9=3...(12) HB3 LEU 64 - HD3 LYS 34 OK 25 100 - 25 - 3.1/9879=3, 520/2.9=3...(7) HD2 LYS 24 - HD2 LYS 34 OK 23 81 - 28 - 3.0/10897=4, 3.7/10880=3...(12) HB3 LEU 64 - HD2 LYS 34 OK 19 81 - 24 - 3.1/9879=3, 520/2.9=3...(7) HB2 LEU 87 - HD3 LYS 34 OK 16 92 - 18 - 520/2.9=2, 498/3.4=2...(6) HB2 LEU 87 - HD2 LYS 34 OK 12 69 - 17 - 520/2.9=2, 498/3.4=2...(6) HG3 ARG 49 - HD3 LYS 34 lone 3 68 - 4 - HG3 ARG 49 - HD2 LYS 34 lone 2 47 - 4 - HG3 ARG 144 - HD3 LYS 34 lone 1 77 - 1 - HG3 LYS 48 - HD3 LYS 34 lone 1 68 - 1 - HG3 ARG 144 - HD2 LYS 34 lone 1 55 - 1 - HG3 LYS 48 - HD2 LYS 34 lone 1 47 - 1 - Peak 554 from aliabs.peaks (1.79, 1.80, 28.26 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD3 LYS 34 + HD3 LYS 34 OK 94 94 - 100 HD2 LYS 34 + HD2 LYS 34 OK 81 81 - 100 Reference assignment not found: HD2 LYS 34 - HD3 LYS 34 Peak 555 from aliabs.peaks (1.80, 1.80, 28.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 34 + HD3 LYS 34 OK 100 100 - 100 HD2 LYS 34 + HD2 LYS 34 OK 71 71 - 100 Peak 556 from aliabs.peaks (3.05, 1.80, 28.26 ppm; 2.61 A): 6 out of 14 assignments used, quality = 1.00: * HE2 LYS 34 + HD3 LYS 34 OK 92 100 - 92 - 2.9=70, 563/2.9=7...(55) HE3 LYS 34 + HD3 LYS 34 OK 90 99 - 91 - 2.9=70, 574/2.9=7...(53) HE2 LYS 34 + HD2 LYS 34 OK 74 81 - 92 - 2.9=70, 563/2.9=7...(55) HE3 LYS 34 + HD2 LYS 34 OK 71 78 - 91 - 2.9=70, 574/2.9=7...(53) HE3 LYS 86 + HD3 LYS 34 OK 50 89 - 57 - 3.0/2732=5, 2765=4...(28) HE2 LYS 86 + HD3 LYS 34 OK 50 85 - 58 - 3.0/2732=5, 2765=4...(30) HE3 LYS 86 - HD2 LYS 34 OK 38 66 - 58 - 3.0/2732=5, 2765=5...(28) HE2 LYS 86 - HD2 LYS 34 OK 37 62 - 59 - 3.0/2732=5, 2765=5...(30) HB2 TYR 27 - HD3 LYS 34 lone 8 98 - 8 - ~11170=2 HB2 TYR 27 - HD2 LYS 34 lone 6 76 - 8 - ~11170=2 HB2 HIS 10 - HD3 LYS 34 lone 4 77 - 5 - 4.0/8099=2 HB2 HIS 10 - HD2 LYS 34 lone 3 55 - 5 - 4.0/8099=2 HB3 ASP 65 - HD3 LYS 34 lone 1 68 - 1 - HB3 ASP 65 - HD2 LYS 34 lone 1 47 - 1 - Peak 557 from aliabs.peaks (3.06, 1.80, 28.26 ppm; 2.61 A): 6 out of 14 assignments used, quality = 1.00: * HE3 LYS 34 + HD3 LYS 34 OK 92 100 - 92 - 2.9=70, 574/2.9=7...(53) HE2 LYS 34 + HD3 LYS 34 OK 90 99 - 92 - 2.9=70, 574/2.9=7...(55) HE3 LYS 34 + HD2 LYS 34 OK 74 81 - 91 - 2.9=70, 574/2.9=7...(53) HE2 LYS 34 + HD2 LYS 34 OK 71 78 - 92 - 2.9=70, 574/2.9=7...(55) HE2 LYS 86 + HD3 LYS 34 OK 57 96 - 59 - 2765=5, 3.0/2732=5...(30) HE3 LYS 86 + HD3 LYS 34 OK 56 98 - 57 - 2765=5, 3.0/2732=5...(28) HE3 LYS 86 - HD2 LYS 34 OK 44 76 - 59 - 2765=6, 3.0/2732=5...(28) HE2 LYS 86 - HD2 LYS 34 OK 44 74 - 60 - 2765=6, 3.0/2732=5...(30) HB2 TYR 27 - HD3 LYS 34 lone 9 100 - 9 - ~11170=2 HB2 TYR 27 - HD2 LYS 34 lone 7 80 - 8 - ~11170=2 HB3 ASP 30 - HD3 LYS 34 lone 2 72 - 2 - HB3 ASP 30 - HD2 LYS 34 lone 1 51 - 2 - HB3 TRP 88 - HD3 LYS 34 lone 1 62 - 1 - HB3 TRP 88 - HD2 LYS 34 lone 0 43 - 1 - Peak 560 from aliabs.peaks (4.07, 3.05, 41.80 ppm; 6.80 A): 6 out of 18 assignments used, quality = 1.00: * HA LYS 34 + HE2 LYS 34 OK 100 100 - 100 - 6.2=100 HA LYS 34 + HE3 LYS 34 OK 96 96 - 100 - 6.2=100 HA GLU 90 + HE2 LYS 34 OK 61 100 - 61 - 2909/4.6=15, 527/3.7=11...(16) HA GLU 90 + HE3 LYS 34 OK 57 94 - 61 - 2909/4.6=15, 527/3.7=11...(16) HA LEU 26 + HE2 LYS 34 OK 52 77 - 67 - 527/3.7=9, 3.8/10565=9...(18) HA LEU 26 + HE3 LYS 34 OK 46 70 - 66 - 3.8/10565=9, 527/3.7=9...(17) HA LYS 34 - HE3 LYS 86 OK 45 50 - 89 - 3.0/502=11, 4.0/524=10...(34) HA VAL 53 - HE2 LYS 34 OK 20 96 - 21 - 494/4.6=4, 516/3.7=3...(8) HA VAL 53 - HE3 LYS 34 OK 18 90 - 20 - 494/4.6=4, 516/3.7=3...(8) HA LEU 132 - HE2 LYS 34 OK 18 100 - 18 - 516/3.7=3, 494/4.6=3...(7) HD3 PRO 118 - HE2 LYS 34 OK 18 62 - 29 - ~10807=7, 6161/7.2=5...(9) HA LEU 132 - HE3 LYS 34 OK 17 94 - 18 - 516/3.7=3, 494/4.6=3...(7) HD3 PRO 118 - HE3 LYS 34 OK 16 56 - 29 - ~10807=7, 6161/7.2=5...(9) HA LEU 26 - HE3 LYS 86 OK 14 32 - 43 - 3.8/10565=8, 4.9/285=5...(12) HA LEU 132 - HE3 LYS 86 OK 12 49 - 24 - 11610/1.8=4, 4472/3.9=4...(7) HA VAL 53 - HE3 LYS 86 lone 4 45 - 9 - 9840/6.3=2, 9810/285=1 HA GLU 90 - HE3 LYS 86 lone 4 49 - 8 - 2909/513=1, 494/502=1, 527/535=1 HD3 PRO 118 - HE3 LYS 86 poor 3 25 - 12 - ~2738=2, ~2727=2...(4) Peak 561 from aliabs.peaks (1.96, 3.05, 41.80 ppm; 3.91 A): 2 out of 18 assignments used, quality = 1.00: * HB2 LYS 34 + HE2 LYS 34 OK 99 100 - 99 - 4.6=61, 2.9/563=14...(76) HB2 LYS 34 + HE3 LYS 34 OK 95 96 - 99 - 4.6=61, 2.9/574=14...(75) HB2 LYS 34 - HE3 LYS 86 OK 41 50 - 82 - 2.9/535=6, 2.9/524=6...(58) HB3 PRO 98 - HE2 LYS 34 OK 27 77 - 35 - 528/3.7=7, 517/3.7=7...(13) HB3 MET 11 - HE2 LYS 34 OK 26 100 - 26 - 517/3.7=5, 528/3.7=5...(10) HB3 MET 11 - HE3 LYS 34 OK 25 95 - 26 - 517/3.7=5, 528/3.7=5...(9) HB3 PRO 98 - HE3 LYS 34 OK 24 70 - 35 - 528/3.7=7, 517/3.7=7...(14) HB3 GLU 122 - HE2 LYS 34 OK 12 81 - 15 - 517/3.7=2, 528/3.7=2...(6) HB3 GLU 122 - HE3 LYS 34 OK 11 74 - 15 - 517/3.7=2, 528/3.7=2...(6) HB2 LYS 61 - HE2 LYS 34 lone 10 96 - 10 - 528/3.7=2, 517/3.7=2...(5) HB2 LYS 61 - HE3 LYS 34 lone 9 90 - 10 - 528/3.7=2, 517/3.7=2...(5) HG2 PRO 12 - HE2 LYS 34 lone 5 62 - 8 - ~10808=3 HG2 PRO 12 - HE3 LYS 34 lone 4 56 - 8 - ~10808=3 HG2 PRO 12 - HE3 LYS 86 poor 4 25 - 17 - ~2738=3, ~2727=3...(9) HB3 MET 11 - HE3 LYS 86 lone 2 50 - 5 - HB3 PRO 98 - HE3 LYS 86 lone 1 32 - 3 - HB2 LYS 61 - HE3 LYS 86 lone 1 45 - 2 - HB3 GLU 122 - HE3 LYS 86 lone 1 35 - 2 - Peak 562 from aliabs.peaks (2.03, 3.05, 41.80 ppm; 4.43 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 34 + HE2 LYS 34 OK 100 100 - 100 - 4.6=88, 2.9/563=17...(80) HB3 LYS 34 + HE3 LYS 34 OK 96 96 - 100 - 4.6=88, 2.9/574=16...(79) HB2 PRO 33 + HE2 LYS 34 OK 47 92 - 51 - 518/3.7=9, 529/3.7=9...(12) HB3 LYS 34 - HE3 LYS 86 OK 45 50 - 90 - 2.9/535=8, 2.9/524=8...(63) HB2 PRO 33 - HE3 LYS 34 OK 44 84 - 52 - 518/3.7=9, 529/3.7=9...(12) HG2 PRO 98 - HE2 LYS 34 OK 27 68 - 40 - 529/3.7=6, 518/3.7=6...(16) HG2 PRO 98 - HE3 LYS 34 OK 24 60 - 39 - 529/3.7=6, 518/3.7=6...(16) HB2 GLU 90 - HE2 LYS 34 OK 23 68 - 34 - 518/3.7=6, 529/3.7=6...(15) HB2 GLU 90 - HE3 LYS 34 OK 21 60 - 34 - 518/3.7=6, 529/3.7=6...(15) HB2 GLU 37 - HE2 LYS 34 OK 19 98 - 19 - 10766/6.2=4, 496/4.6=3...(9) HB3 GLU 37 - HE2 LYS 34 OK 18 94 - 19 - 10766/6.2=4, 496/4.6=3...(9) HB2 GLU 37 - HE3 LYS 34 OK 18 92 - 19 - 10766/6.2=4, 496/4.6=3...(9) HB3 GLU 37 - HE3 LYS 34 OK 17 87 - 19 - 10766/6.2=4, 496/4.6=3...(9) HB2 PRO 33 - HE3 LYS 86 poor 5 41 - 12 - 4.3/6171=3, 1.8/8446=1, ~8446=1 HB2 GLU 37 - HE3 LYS 86 lone 1 47 - 2 - HB3 GLU 37 - HE3 LYS 86 lone 1 43 - 2 - HB2 GLU 90 - HE3 LYS 86 lone 1 27 - 3 - HG2 PRO 98 - HE3 LYS 86 lone 1 27 - 3 - Peak 563 from aliabs.peaks (1.51, 3.05, 41.80 ppm; 3.30 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 34 + HE2 LYS 34 OK 97 100 - 97 - 3.7=71, 552/2.9=11...(61) HG2 LYS 34 + HE3 LYS 34 OK 93 96 - 97 - 3.7=71, 552/2.9=11...(59) HG2 LYS 34 - HE3 LYS 86 OK 34 50 - 68 - 524=7, 1.8/535=6...(42) HG3 PRO 57 - HE2 LYS 34 OK 27 77 - 35 - 530/3.7=4, 552/2.9=4...(14) HG3 PRO 57 - HE3 LYS 34 OK 24 70 - 34 - 530/3.7=4, 552/2.9=4...(14) HG13 ILE 101 - HE2 LYS 34 OK 11 62 - 18 - 530/3.7=5, 541/2.9=3...(7) HG13 ILE 101 - HE3 LYS 34 poor 10 56 - 18 - 530/3.7=5, 541/2.9=3...(7) HG3 PRO 57 - HE3 LYS 86 poor 9 32 - 27 - ~2739=2, ~2739=2...(14) HB2 LYS 123 - HE2 LYS 34 lone 6 94 - 6 - 530/3.7=1, 497/4.6=1 HB2 LYS 123 - HE3 LYS 34 lone 5 87 - 6 - 530/3.7=1, 497/4.6=1 HD3 LYS 114 - HE2 LYS 34 lone 3 57 - 5 - 530/3.7=1 HD3 LYS 114 - HE3 LYS 34 lone 3 51 - 6 - 530/3.7=1 HB2 LYS 123 - HE3 LYS 86 lone 1 43 - 2 - HG13 ILE 101 - HE3 LYS 86 lone 1 25 - 3 - HD3 LYS 114 - HE3 LYS 86 lone 0 23 - 1 - Peak 564 from aliabs.peaks (1.63, 3.05, 41.80 ppm; 3.59 A): 2 out of 21 assignments used, quality = 1.00: * HG3 LYS 34 + HE2 LYS 34 OK 100 100 - 100 - 3.7=91, 1.8/563=16...(61) HG3 LYS 34 + HE3 LYS 34 OK 95 96 - 100 - 3.7=91, 1.8/574=16...(60) HG3 LYS 34 - HE3 LYS 86 OK 38 50 - 75 - 535=10, 535/1.8=8...(49) HD2 LYS 24 - HE2 LYS 34 OK 27 100 - 27 - 520/3.7=4, 542/2.9=4...(10) HD2 LYS 24 - HE3 LYS 34 OK 26 96 - 27 - 520/3.7=4, 542/2.9=4...(10) HB3 LEU 64 - HE2 LYS 34 OK 22 100 - 22 - 520/3.7=4, 498/4.6=3...(10) HB3 LEU 64 - HE3 LYS 34 OK 19 96 - 20 - 520/3.7=4, 498/4.6=3...(9) HB2 LEU 87 - HE2 LYS 34 OK 13 92 - 14 - 520/3.7=3, 498/4.6=3...(6) HB2 LEU 87 - HE3 LYS 34 OK 12 84 - 14 - 520/3.7=3, 498/4.6=3...(7) HG3 ARG 49 - HE3 LYS 86 OK 11 27 - 39 - ~2740=4, ~2729=4...(19) HD2 LYS 24 - HE3 LYS 86 lone 4 50 - 8 - 10911/3.0=2 HB2 LEU 87 - HE3 LYS 86 lone 3 41 - 6 - 4.0/6999=3 HG3 ARG 49 - HE2 LYS 34 lone 2 68 - 3 - HG3 ARG 49 - HE3 LYS 34 lone 2 60 - 3 - HB3 LEU 64 - HE3 LYS 86 lone 2 50 - 4 - HG3 ARG 144 - HE2 LYS 34 lone 1 77 - 1 - HG3 ARG 144 - HE3 LYS 34 lone 1 70 - 1 - HG3 LYS 48 - HE2 LYS 34 lone 1 68 - 1 - HG3 LYS 48 - HE3 LYS 34 lone 1 60 - 1 - HG3 LYS 48 - HE3 LYS 86 lone 0 27 - 1 - HG3 ARG 144 - HE3 LYS 86 lone 0 32 - 1 - Peak 565 from aliabs.peaks (1.79, 3.05, 41.80 ppm; 2.65 A): 6 out of 24 assignments used, quality = 1.00: * HD2 LYS 34 + HE2 LYS 34 OK 93 100 - 93 - 2.9=74, 2.9/563=7...(58) HD2 LYS 34 + HE3 LYS 34 OK 89 96 - 93 - 2.9=74, 2.9/574=7...(57) HD3 LYS 34 + HE2 LYS 34 OK 88 94 - 93 - 2.9=74, 2.9/563=7...(58) HD3 LYS 34 + HE3 LYS 34 OK 81 87 - 93 - 2.9=74, 2.9/574=7...(57) HD3 LYS 86 + HE2 LYS 34 OK 56 94 - 60 - 2745=5, 2745/1.8=5...(38) HD3 LYS 86 + HE3 LYS 34 OK 49 87 - 56 - 2745=6, 2745/1.8=4...(34) HD3 LYS 86 - HE3 LYS 86 OK 40 43 - 93 - 3.0=73, 2744/1.8=8...(60) HD2 LYS 34 - HE3 LYS 86 OK 30 50 - 59 - 546=5, 2732/3.0=5...(34) HD3 LYS 34 - HE3 LYS 86 OK 25 43 - 58 - 557=5, 2732/3.0=4...(34) HG2 PRO 57 - HE2 LYS 34 OK 21 96 - 22 - 1.8/563=2, 1533/3.7=2...(11) HG2 PRO 57 - HE3 LYS 34 OK 19 90 - 22 - 1533/3.7=2, 1.8/563=2...(12) HG LEU 72 - HE2 LYS 34 poor 10 85 - 11 - 2136/2.9=1 HG2 PRO 57 - HE3 LYS 86 poor 9 45 - 21 - 2732/3.0=2, 1531/4.9=2...(10) HG LEU 72 - HE3 LYS 34 poor 9 78 - 11 - 2136/2.9=1 HB3 LEU 72 - HE2 LYS 34 poor 7 62 - 12 - ~2120=1, ~2120=1 HB3 LEU 72 - HE3 LYS 34 poor 6 56 - 12 - ~2120=1, ~2120=1 HB3 ARG 145 - HE2 LYS 34 lone 3 100 - 3 - HB3 ARG 145 - HE3 LYS 34 lone 3 95 - 3 - HB3 LEU 72 - HE3 LYS 86 lone 1 25 - 6 - HG LEU 72 - HE3 LYS 86 lone 1 37 - 3 - HB3 ARG 145 - HE3 LYS 86 lone 1 50 - 2 - HB3 ARG 55 - HE2 LYS 34 lone 0 81 - 0 - HB3 ARG 55 - HE3 LYS 34 lone 0 74 - 0 - HB3 ARG 55 - HE3 LYS 86 lone 0 35 - 0 - Peak 566 from aliabs.peaks (1.80, 3.05, 41.80 ppm; 2.65 A): 7 out of 24 assignments used, quality = 1.00: * HD3 LYS 34 + HE2 LYS 34 OK 93 100 - 93 - 2.9=74, 2.9/563=7...(58) HD3 LYS 34 + HE3 LYS 34 OK 89 96 - 93 - 2.9=74, 2.9/574=7...(57) HD2 LYS 34 + HE2 LYS 34 OK 88 94 - 93 - 2.9=74, 2.9/563=7...(58) HD2 LYS 34 + HE3 LYS 34 OK 81 87 - 93 - 2.9=74, 2.9/574=7...(57) HD3 LYS 86 + HE2 LYS 34 OK 60 100 - 60 - 2745=6, 2745/1.8=5...(38) HD3 LYS 86 + HE3 LYS 34 OK 53 96 - 56 - 2745=6, 2745/1.8=5...(34) HD3 LYS 86 + HE3 LYS 86 OK 47 50 - 93 - 3.0=73, 2744/1.8=9...(60) HD3 LYS 34 - HE3 LYS 86 OK 30 50 - 59 - 557=5, 2732/3.0=5...(34) HD2 LYS 34 - HE3 LYS 86 OK 26 43 - 60 - 2732/3.0=5, 546=5...(34) HG2 PRO 57 - HE2 LYS 34 OK 22 100 - 22 - 1533/3.7=2, 1.8/563=2...(10) HG2 PRO 57 - HE3 LYS 34 OK 20 95 - 21 - 1533/3.7=2, 1.8/563=2...(11) HB2 LYS 24 - HE2 LYS 34 OK 14 62 - 23 - 10880/2.9=3, 3.0/11314=3...(10) HB2 LYS 24 - HE3 LYS 34 OK 13 56 - 23 - 10880/2.9=3, 3.0/11314=3...(10) HB3 LEU 72 - HE2 LYS 34 OK 12 92 - 13 - 2129/2.9=2, 2129/2.9=1...(4) HB3 LEU 72 - HE3 LYS 34 OK 11 84 - 13 - 2129/2.9=2, 2129/2.9=1...(4) HG2 PRO 57 - HE3 LYS 86 OK 11 50 - 21 - 2732/3.0=3, 1531/4.9=2...(10) HB2 ARG 124 - HE2 LYS 34 poor 9 81 - 11 - HB2 ARG 124 - HE3 LYS 34 poor 8 74 - 11 - HB3 ARG 145 - HE2 LYS 34 lone 3 89 - 3 - HB3 LEU 72 - HE3 LYS 86 lone 3 41 - 6 - HB3 ARG 145 - HE3 LYS 34 lone 2 81 - 3 - HB2 ARG 124 - HE3 LYS 86 lone 1 35 - 4 - HB2 LYS 24 - HE3 LYS 86 lone 1 25 - 6 - HB3 ARG 145 - HE3 LYS 86 lone 1 39 - 2 - Peak 567 from aliabs.peaks (3.05, 3.05, 41.80 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 34 + HE2 LYS 34 OK 100 100 - 100 HE3 LYS 34 + HE3 LYS 34 OK 93 93 - 100 HE3 LYS 86 - HE3 LYS 86 OK 39 39 - 100 Peak 568 from aliabs.peaks (3.06, 3.05, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 34 + HE2 LYS 34 OK 99 99 - 100 HE3 LYS 34 + HE3 LYS 34 OK 96 96 - 100 HE3 LYS 86 + HE3 LYS 86 OK 47 47 - 100 Reference assignment not found: HE3 LYS 34 - HE2 LYS 34 Peak 571 from aliabs.peaks (4.07, 3.06, 41.80 ppm; 6.80 A): 8 out of 24 assignments used, quality = 1.00: * HA LYS 34 + HE3 LYS 34 OK 100 100 - 100 - 6.2=100 HA LYS 34 + HE2 LYS 34 OK 96 96 - 100 - 6.2=100 HA LYS 34 + HE3 LYS 86 OK 66 74 - 89 - 3.0/502=11, 4.0/524=10...(34) HA LYS 34 + HE2 LYS 86 OK 62 69 - 90 - 3.0/502=11, 4.0/524=10...(36) HA GLU 90 + HE3 LYS 34 OK 61 100 - 61 - 2909/4.6=15, 527/3.7=11...(16) HA GLU 90 + HE2 LYS 34 OK 58 94 - 61 - 2909/4.6=15, 527/3.7=11...(16) HA LEU 26 + HE3 LYS 34 OK 51 77 - 66 - 3.8/10565=9, 527/3.7=9...(17) HA LEU 26 + HE2 LYS 34 OK 46 70 - 66 - 527/3.7=9, 3.8/10565=9...(17) HA LEU 26 - HE3 LYS 86 OK 22 50 - 44 - 3.8/10565=8, 4.9/285=5...(13) HA LEU 26 - HE2 LYS 86 OK 20 46 - 44 - 3.8/10565=8, 4.9/285=5...(13) HA VAL 53 - HE3 LYS 34 OK 20 96 - 21 - 494/4.6=4, 516/3.7=3...(8) HA LEU 132 - HE3 LYS 86 OK 19 73 - 27 - 11610/1.8=4, 4472/3.9=4...(9) HA VAL 53 - HE2 LYS 34 OK 19 90 - 21 - 494/4.6=4, 516/3.7=3...(8) HA LEU 132 - HE3 LYS 34 OK 18 100 - 18 - 516/3.7=3, 494/4.6=3...(7) HD3 PRO 118 - HE3 LYS 34 OK 18 62 - 29 - ~10807=7, 6161/7.2=5...(9) HA LEU 132 - HE2 LYS 86 OK 18 68 - 27 - 11610/1.8=4, 4472/3.9=4...(9) HA LEU 132 - HE2 LYS 34 OK 17 94 - 18 - 516/3.7=3, 494/4.6=3...(7) HD3 PRO 118 - HE2 LYS 34 OK 16 56 - 29 - ~10807=7, 6161/7.2=5...(9) HA VAL 53 - HE3 LYS 86 lone 6 68 - 9 - 9840/6.3=2, 9810/285=1 HA GLU 90 - HE3 LYS 86 lone 6 73 - 9 - 2909/513=1, 494/502=1, 527/535=1 HA GLU 90 - HE2 LYS 86 lone 6 68 - 9 - 2909/513=1, 494/502=1...(4) HA VAL 53 - HE2 LYS 86 lone 6 63 - 9 - 9840/6.3=2, 9810/285=1 HD3 PRO 118 - HE3 LYS 86 poor 5 39 - 12 - ~2738=2, ~2727=2...(4) HD3 PRO 118 - HE2 LYS 86 poor 5 36 - 12 - ~2738=2, ~2727=2...(4) Peak 572 from aliabs.peaks (1.96, 3.06, 41.80 ppm; 3.62 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 34 + HE3 LYS 34 OK 97 100 - 97 - 4.6=48, 2.9/574=13...(74) HB2 LYS 34 + HE2 LYS 34 OK 93 96 - 97 - 4.6=48, 2.9/574=12...(76) HB2 LYS 34 + HE3 LYS 86 OK 56 74 - 76 - 2.9/535=6, 2.9/524=6...(58) HB2 LYS 34 + HE2 LYS 86 OK 54 69 - 78 - 2.9/535=6, 2.9/524=6...(61) HB3 PRO 98 - HE3 LYS 34 OK 24 77 - 31 - 528/3.7=6, 517/3.7=6...(12) HB3 MET 11 - HE3 LYS 34 OK 23 100 - 23 - 517/3.7=4, 528/3.7=4...(9) HB3 MET 11 - HE2 LYS 34 OK 22 95 - 23 - 517/3.7=4, 528/3.7=4...(9) HB3 PRO 98 - HE2 LYS 34 OK 21 70 - 31 - 528/3.7=6, 517/3.7=6...(12) HB3 GLU 122 - HE3 LYS 34 OK 11 81 - 13 - 517/3.7=2, 528/3.7=2...(5) HB3 GLU 122 - HE2 LYS 34 poor 10 74 - 13 - 517/3.7=2, 528/3.7=2...(5) HB2 LYS 61 - HE3 LYS 34 lone 8 96 - 8 - 528/3.7=2, 517/3.7=2...(4) HB2 LYS 61 - HE2 LYS 34 lone 8 90 - 8 - 528/3.7=2, 517/3.7=2...(4) HG2 PRO 12 - HE3 LYS 86 poor 6 39 - 15 - ~2738=3, ~2727=3...(7) HG2 PRO 12 - HE2 LYS 86 poor 5 36 - 15 - ~2738=3, ~2727=3...(7) HG2 PRO 12 - HE3 LYS 34 lone 4 62 - 7 - ~10808=3 HG2 PRO 12 - HE2 LYS 34 lone 4 56 - 7 - ~10808=3 HB3 MET 11 - HE3 LYS 86 lone 3 74 - 4 - HB3 MET 11 - HE2 LYS 86 lone 3 69 - 4 - HB3 PRO 98 - HE3 LYS 86 lone 1 50 - 3 - HB3 PRO 98 - HE2 LYS 86 lone 1 46 - 3 - HB2 LYS 61 - HE3 LYS 86 lone 1 68 - 1 - HB2 LYS 61 - HE2 LYS 86 lone 1 63 - 1 - HB3 GLU 122 - HE3 LYS 86 lone 1 54 - 1 - HB3 GLU 122 - HE2 LYS 86 lone 1 49 - 1 - Peak 573 from aliabs.peaks (2.03, 3.06, 41.80 ppm; 4.26 A): 5 out of 24 assignments used, quality = 1.00: * HB3 LYS 34 + HE3 LYS 34 OK 100 100 - 100 - 4.6=78, 2.9/574=16...(79) HB3 LYS 34 + HE2 LYS 34 OK 95 96 - 100 - 4.6=78, 2.9/574=15...(80) HB3 LYS 34 + HE3 LYS 86 OK 65 74 - 88 - 2.9/535=7, 2.9/524=7...(63) HB3 LYS 34 + HE2 LYS 86 OK 62 69 - 89 - 2.9/535=8, 2.9/524=7...(68) HB2 PRO 33 + HE3 LYS 34 OK 46 92 - 50 - 518/3.7=9, 529/3.7=9...(12) HB2 PRO 33 - HE2 LYS 34 OK 42 84 - 49 - 518/3.7=9, 529/3.7=9...(12) HG2 PRO 98 - HE3 LYS 34 OK 25 68 - 38 - 529/3.7=6, 518/3.7=6...(15) HG2 PRO 98 - HE2 LYS 34 OK 23 60 - 37 - 529/3.7=6, 518/3.7=6...(15) HB2 GLU 90 - HE3 LYS 34 OK 22 68 - 32 - 518/3.7=5, 529/3.7=5...(15) HB2 GLU 90 - HE2 LYS 34 OK 19 60 - 32 - 518/3.7=5, 529/3.7=5...(15) HB2 GLU 37 - HE3 LYS 34 OK 18 98 - 18 - 10766/6.2=4, 496/4.6=3...(9) HB3 GLU 37 - HE3 LYS 34 OK 17 94 - 18 - 10766/6.2=4, 496/4.6=3...(9) HB2 GLU 37 - HE2 LYS 34 OK 17 92 - 18 - 10766/6.2=4, 496/4.6=3...(9) HB3 GLU 37 - HE2 LYS 34 OK 15 87 - 18 - 10766/6.2=4, 496/4.6=3...(9) HB2 PRO 33 - HE3 LYS 86 poor 7 63 - 11 - 4.3/6171=3, 1.8/8446=1, ~8446=1 HB2 PRO 33 - HE2 LYS 86 poor 7 58 - 11 - 4.3/6171=3, 1.8/8446=1 HB2 GLU 37 - HE3 LYS 86 lone 2 70 - 2 - HB2 GLU 37 - HE2 LYS 86 lone 2 65 - 2 - HB3 GLU 37 - HE3 LYS 86 lone 1 65 - 2 - HG2 PRO 98 - HE3 LYS 86 lone 1 43 - 3 - HB2 GLU 90 - HE3 LYS 86 lone 1 43 - 3 - HB3 GLU 37 - HE2 LYS 86 lone 1 61 - 2 - HG2 PRO 98 - HE2 LYS 86 lone 1 39 - 3 - HB2 GLU 90 - HE2 LYS 86 lone 1 39 - 3 - Peak 574 from aliabs.peaks (1.51, 3.06, 41.80 ppm; 3.08 A): 3 out of 20 assignments used, quality = 1.00: * HG2 LYS 34 + HE3 LYS 34 OK 94 100 - 94 - 3.7=58, 552/2.9=9...(59) HG2 LYS 34 + HE2 LYS 34 OK 90 96 - 94 - 3.7=58, 552/2.9=9...(61) HG2 LYS 34 + HE3 LYS 86 OK 46 74 - 62 - 524=6, 1.8/535=6...(40) HG2 LYS 34 - HE2 LYS 86 OK 44 69 - 64 - 524=6, 1.8/535=6...(42) HG3 PRO 57 - HE3 LYS 34 OK 24 77 - 31 - 530/3.7=4, 552/2.9=3...(11) HG3 PRO 57 - HE2 LYS 34 OK 22 70 - 31 - 530/3.7=4, 552/2.9=3...(11) HG3 PRO 57 - HE3 LYS 86 OK 12 50 - 24 - ~2739=2, ~2739=2...(12) HG3 PRO 57 - HE2 LYS 86 OK 11 46 - 24 - ~2739=2, ~2739=2...(12) HG13 ILE 101 - HE3 LYS 34 poor 9 62 - 15 - 530/3.7=4, 541/2.9=3...(6) HG13 ILE 101 - HE2 LYS 34 poor 8 56 - 15 - 530/3.7=4, 541/2.9=3...(6) HB2 LYS 123 - HE3 LYS 34 lone 5 94 - 5 - 530/3.7=1, 497/4.6=1 HB2 LYS 123 - HE2 LYS 34 lone 4 87 - 5 - 530/3.7=1, 497/4.6=1 HD3 LYS 114 - HE3 LYS 34 lone 3 57 - 5 - 530/3.7=1 HD3 LYS 114 - HE2 LYS 34 lone 2 51 - 5 - 530/3.7=1 HB2 LYS 123 - HE3 LYS 86 lone 1 65 - 2 - HB2 LYS 123 - HE2 LYS 86 lone 1 61 - 2 - HG13 ILE 101 - HE3 LYS 86 lone 1 39 - 3 - HG13 ILE 101 - HE2 LYS 86 lone 1 36 - 3 - HD3 LYS 114 - HE3 LYS 86 lone 0 36 - 1 - HD3 LYS 114 - HE2 LYS 86 lone 0 33 - 1 - Peak 575 from aliabs.peaks (1.63, 3.06, 41.80 ppm; 3.66 A): 4 out of 28 assignments used, quality = 1.00: * HG3 LYS 34 + HE3 LYS 34 OK 100 100 - 100 - 3.7=97, 1.8/574=17...(60) HG3 LYS 34 + HE2 LYS 34 OK 95 96 - 100 - 3.7=97, 1.8/574=16...(61) HG3 LYS 34 + HE3 LYS 86 OK 57 74 - 77 - 535=10, 535/1.8=8...(52) HG3 LYS 34 + HE2 LYS 86 OK 55 69 - 79 - 535=10, 535/1.8=8...(55) HD2 LYS 24 - HE3 LYS 34 OK 28 100 - 28 - 520/3.7=4, ~10897=4...(10) HD2 LYS 24 - HE2 LYS 34 OK 27 96 - 28 - 520/3.7=4, ~10897=4...(10) HB3 LEU 64 - HE3 LYS 34 OK 22 100 - 22 - 520/3.7=4, 498/4.6=3...(10) HB3 LEU 64 - HE2 LYS 34 OK 22 96 - 23 - 520/3.7=4, 498/4.6=3...(10) HG3 ARG 49 - HE3 LYS 86 OK 17 43 - 41 - ~2740=4, ~2729=4...(19) HG3 ARG 49 - HE2 LYS 86 OK 16 39 - 40 - ~2740=4, ~2729=4...(19) HB2 LEU 87 - HE3 LYS 34 OK 14 92 - 15 - 520/3.7=3, 498/4.6=3...(7) HB2 LEU 87 - HE2 LYS 34 OK 13 84 - 15 - 520/3.7=3, 498/4.6=3...(7) HD2 LYS 24 - HE3 LYS 86 lone 6 74 - 8 - 10911/3.0=2, 5.3/11314=1 HD2 LYS 24 - HE2 LYS 86 lone 6 69 - 8 - 10911/3.0=2 HB2 LEU 87 - HE3 LYS 86 lone 5 63 - 8 - 4.0/6999=4, 4.6/7017=1 HB2 LEU 87 - HE2 LYS 86 lone 4 58 - 8 - 4.0/6999=4, 4.6/7017=1 HB3 LEU 64 - HE3 LYS 86 lone 3 74 - 5 - HB3 LEU 64 - HE2 LYS 86 lone 3 69 - 5 - HG3 ARG 49 - HE3 LYS 34 lone 2 68 - 3 - HG3 ARG 49 - HE2 LYS 34 lone 2 60 - 4 - HG3 ARG 144 - HE3 LYS 34 lone 1 77 - 1 - HG3 ARG 144 - HE2 LYS 34 lone 1 70 - 1 - HG3 LYS 48 - HE3 LYS 34 lone 1 68 - 1 - HG3 LYS 48 - HE2 LYS 34 lone 1 60 - 1 - HG3 LYS 48 - HE3 LYS 86 lone 1 43 - 1 - HG3 LYS 48 - HE2 LYS 86 lone 1 39 - 1 - HG3 ARG 144 - HE3 LYS 86 lone 0 50 - 1 - HG3 ARG 144 - HE2 LYS 86 lone 0 46 - 1 - Peak 576 from aliabs.peaks (1.79, 3.06, 41.80 ppm; 2.50 A): 8 out of 32 assignments used, quality = 1.00: * HD2 LYS 34 + HE3 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/574=6...(50) HD2 LYS 34 + HE2 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 34 + HE3 LYS 34 OK 83 94 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 34 + HE2 LYS 34 OK 76 87 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 86 + HE3 LYS 86 OK 58 65 - 88 - 3.0=61, 2744/1.8=7...(56) HD3 LYS 86 + HE2 LYS 86 OK 54 61 - 88 - 3.0=61, 2744/1.8=7...(56) HD3 LYS 86 + HE3 LYS 34 OK 48 94 - 51 - 2745=6, 1.8/2734=5...(25) HD3 LYS 86 + HE2 LYS 34 OK 48 87 - 55 - 2745=5, 1.8/2734=4...(27) HD2 LYS 34 - HE3 LYS 86 OK 40 74 - 54 - 546=5, 2732/3.0=4...(30) HD2 LYS 34 - HE2 LYS 86 OK 38 69 - 55 - 546=5, 2732/3.0=4...(30) HD3 LYS 34 - HE3 LYS 86 OK 34 65 - 52 - 557=4, 2732/3.0=4...(31) HD3 LYS 34 - HE2 LYS 86 OK 32 61 - 54 - 557=4, 2732/3.0=4...(31) HG2 PRO 57 - HE3 LYS 34 OK 18 96 - 19 - 1533/3.7=2, 532/3.7=1...(6) HG2 PRO 57 - HE2 LYS 34 OK 17 90 - 19 - 1533/3.7=2, 1.8/563=1...(6) HG2 PRO 57 - HE3 LYS 86 OK 12 68 - 18 - 2732/3.0=2, 1531/4.9=1...(9) HG2 PRO 57 - HE2 LYS 86 OK 12 63 - 18 - 2732/3.0=2, 1531/4.9=1...(9) HG LEU 72 - HE3 LYS 34 lone 8 85 - 10 - HG LEU 72 - HE2 LYS 34 lone 7 78 - 10 - HB3 LEU 72 - HE3 LYS 34 poor 6 62 - 10 - HB3 LEU 72 - HE2 LYS 34 poor 6 56 - 10 - HB3 ARG 145 - HE3 LYS 34 lone 3 100 - 3 - HB3 ARG 145 - HE2 LYS 34 lone 2 95 - 3 - HB3 LEU 72 - HE3 LYS 86 lone 2 39 - 5 - HB3 LEU 72 - HE2 LYS 86 lone 2 36 - 5 - HG LEU 72 - HE3 LYS 86 lone 1 57 - 3 - HB3 ARG 145 - HE3 LYS 86 lone 1 74 - 2 - HG LEU 72 - HE2 LYS 86 lone 1 52 - 3 - HB3 ARG 145 - HE2 LYS 86 lone 1 68 - 2 - HB3 ARG 55 - HE3 LYS 34 lone 0 81 - 0 - HB3 ARG 55 - HE2 LYS 34 lone 0 74 - 0 - HB3 ARG 55 - HE3 LYS 86 lone 0 54 - 0 - HB3 ARG 55 - HE2 LYS 86 lone 0 49 - 0 - Peak 577 from aliabs.peaks (1.80, 3.06, 41.80 ppm; 2.50 A): 8 out of 32 assignments used, quality = 1.00: * HD3 LYS 34 + HE3 LYS 34 OK 88 100 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 34 + HE2 LYS 34 OK 84 96 - 88 - 2.9=62, 2.9/574=6...(50) HD2 LYS 34 + HE3 LYS 34 OK 83 94 - 88 - 2.9=62, 2.9/574=6...(50) HD2 LYS 34 + HE2 LYS 34 OK 76 87 - 88 - 2.9=62, 2.9/574=6...(50) HD3 LYS 86 + HE3 LYS 86 OK 66 74 - 89 - 3.0=61, 2744/1.8=8...(56) HD3 LYS 86 + HE2 LYS 86 OK 61 69 - 89 - 3.0=61, 2744/1.8=8...(56) HD3 LYS 86 + HE2 LYS 34 OK 53 96 - 55 - 2745=6, 2745/1.8=5...(27) HD3 LYS 86 + HE3 LYS 34 OK 52 100 - 52 - 2745=6, 1.8/2734=5...(25) HD3 LYS 34 - HE3 LYS 86 OK 40 74 - 54 - 557=5, 2732/3.0=4...(31) HD3 LYS 34 - HE2 LYS 86 OK 38 69 - 55 - 557=5, 2732/3.0=4...(31) HD2 LYS 34 - HE3 LYS 86 OK 35 65 - 54 - 2732/3.0=4, 546=4...(30) HD2 LYS 34 - HE2 LYS 86 OK 33 61 - 55 - 2732/3.0=4, 546=4...(30) HG2 PRO 57 - HE3 LYS 34 OK 19 100 - 19 - 1533/3.7=2, 1.8/574=1...(6) HG2 PRO 57 - HE2 LYS 34 OK 18 95 - 19 - 1533/3.7=2, 1.8/563=1...(6) HG2 PRO 57 - HE3 LYS 86 OK 14 74 - 19 - 2732/3.0=2, 1531/4.9=1...(10) HG2 PRO 57 - HE2 LYS 86 OK 13 69 - 19 - 2732/3.0=2, 1531/4.9=1...(10) HB2 LYS 24 - HE3 LYS 34 OK 12 62 - 20 - 10880/2.9=3, 3.0/11314=3...(9) HB2 LYS 24 - HE2 LYS 34 OK 11 56 - 20 - 10880/2.9=3, 3.0/11314=3...(9) HB3 LEU 72 - HE3 LYS 34 OK 11 92 - 12 - 2129/2.9=1, 2129/2.9=1 HB3 LEU 72 - HE2 LYS 34 poor 10 84 - 11 - 2129/2.9=1, 2129/2.9=1 HB2 ARG 124 - HE3 LYS 34 lone 8 81 - 10 - HB2 ARG 124 - HE2 LYS 34 lone 7 74 - 10 - HB3 LEU 72 - HE3 LYS 86 lone 3 63 - 5 - HB3 LEU 72 - HE2 LYS 86 lone 3 58 - 5 - HB3 ARG 145 - HE3 LYS 34 lone 2 89 - 2 - HB3 ARG 145 - HE2 LYS 34 lone 2 81 - 2 - HB2 ARG 124 - HE3 LYS 86 lone 2 54 - 4 - HB2 LYS 24 - HE3 LYS 86 lone 2 39 - 5 - HB2 ARG 124 - HE2 LYS 86 lone 2 49 - 4 - HB2 LYS 24 - HE2 LYS 86 lone 2 36 - 5 - HB3 ARG 145 - HE3 LYS 86 lone 1 60 - 2 - HB3 ARG 145 - HE2 LYS 86 lone 1 55 - 2 - Peak 578 from aliabs.peaks (3.05, 3.06, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 34 + HE3 LYS 34 OK 99 99 - 100 HE2 LYS 34 + HE2 LYS 34 OK 96 96 - 100 HE3 LYS 86 + HE3 LYS 86 OK 60 60 - 100 HE2 LYS 86 + HE2 LYS 86 OK 52 52 - 100 Reference assignment not found: HE2 LYS 34 - HE3 LYS 34 Peak 579 from aliabs.peaks (3.06, 3.06, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 34 + HE3 LYS 34 OK 100 100 - 100 HE2 LYS 34 + HE2 LYS 34 OK 93 93 - 100 HE3 LYS 86 + HE3 LYS 86 OK 70 70 - 100 HE2 LYS 86 + HE2 LYS 86 OK 63 63 - 100 Peak 582 from aliabs.peaks (2.07, 2.07, 58.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 35 + HA ARG 35 OK 100 100 - 100 Peak 583 from aliabs.peaks (1.40, 2.07, 58.34 ppm; 4.53 A): 4 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.0=100 HG2 LYS 36 + HA ARG 35 OK 63 100 - 63 - 4.6/6195=19, ~10784=8...(20) HG2 ARG 49 + HA ARG 35 OK 49 89 - 55 - 8195/4.9=16, 604/3.0=7...(23) HG LEU 116 + HA ARG 35 OK 47 100 - 47 - 604/3.0=6, 613/3.9=5...(16) HG3 LYS 93 - HA ARG 35 OK 18 89 - 20 - 604/3.0=2, 6205/3.6=2...(8) HB VAL 82 - HA ARG 35 poor 7 68 - 11 - 660/4.9=3, 604/3.0=1 HG2 LYS 86 - HA ARG 35 lone 6 62 - 9 - ~6181=1, ~6180=1 Peak 584 from aliabs.peaks (1.77, 2.07, 58.34 ppm; 4.71 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.0=100 HG LEU 39 + HA ARG 35 OK 83 98 - 85 - 2.1/8100=29, 6197/3.6=14...(22) HG LEU 66 - HA ARG 35 OK 40 94 - 43 - 11466/3.9=13, ~9865=7...(12) HB2 PRO 12 - HA ARG 35 OK 24 89 - 27 - 596/3.0=4, 614/3.9=2...(15) HB ILE 83 - HA ARG 35 OK 23 100 - 23 - 596/3.0=3, ~11043=2...(7) HG LEU 95 - HA ARG 35 OK 15 89 - 17 - 596/3.0=2, 614/3.9=2...(6) HB3 MET 59 - HA ARG 35 poor 10 85 - 11 - 596/3.0=1, ~1604=1 HB3 ARG 55 - HA ARG 35 lone 4 62 - 6 - Peak 585 from aliabs.peaks (1.06, 2.07, 58.34 ppm; 5.30 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.9=100 HG3 LYS 114 + HA ARG 35 OK 66 100 - 66 - ~10268=9, 2.9/583=8...(20) HB2 LEU 116 + HA ARG 35 OK 51 100 - 52 - 624/3.9=7, 3866/3.0=7...(17) HG13 ILE 91 - HA ARG 35 OK 38 92 - 42 - 8997/3.6=14, 8986=10...(11) QG2 THR 110 - HA ARG 35 poor 9 77 - 12 - 10452/3.0=3, 9290/3.0=2 Peak 586 from aliabs.peaks (0.96, 2.07, 58.34 ppm; 6.62 A): 3 out of 4 assignments used, quality = 1.00: * HG3 ARG 35 + HA ARG 35 OK 100 100 - 100 - 3.9=100 QG2 THR 51 + HA ARG 35 OK 51 96 - 53 - 598/3.0=11, 607/3.0=11...(11) QD1 LEU 29 + HA ARG 35 OK 45 62 - 73 - 6188/2.8=12, ~378=11...(17) QG2 VAL 63 - HA ARG 35 OK 19 89 - 21 - 616/3.9=4, 598/3.0=4...(6) Peak 594 from aliabs.peaks (2.07, 1.40, 30.17 ppm; 4.84 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 3.0=100 HB2 LEU 26 + HB2 ARG 35 OK 73 81 - 89 - ~10864=14, 603/1.8=13...(35) HD2 ARG 49 + HB2 ARG 35 OK 47 77 - 61 - 9826/4.3=8, ~10661=7...(24) HG3 PRO 98 - HB2 ARG 35 OK 34 72 - 46 - 2.3/11042=18, 603/1.8=5...(19) HB3 GLN 62 - HB2 ARG 35 lone 5 89 - 6 - HB3 LYS 61 - HB2 ARG 35 lone 2 68 - 4 - Peak 595 from aliabs.peaks (1.40, 1.40, 30.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 35 + HB2 ARG 35 OK 100 100 - 100 Peak 596 from aliabs.peaks (1.77, 1.40, 30.17 ppm; 3.95 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 1.8=100 HG LEU 39 + HB2 ARG 35 OK 74 98 - 76 - ~8100=12, ~8100=12...(23) HG LEU 66 + HB2 ARG 35 OK 49 94 - 52 - 11466/2.9=12...(16) HB ILE 83 - HB2 ARG 35 OK 22 100 - 22 - 3.2/10005=3, 2.1/11043=3...(6) HB2 PRO 12 - HB2 ARG 35 OK 22 89 - 24 - 584/3.0=2, ~85=2...(14) HG LEU 95 - HB2 ARG 35 OK 14 89 - 15 - 584/3.0=1, 2.1/11558=1 HB3 MET 59 - HB2 ARG 35 lone 8 85 - 9 - ~1604=1 HB3 ARG 55 - HB2 ARG 35 lone 3 62 - 4 - Peak 597 from aliabs.peaks (1.06, 1.40, 30.17 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * HG2 ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 2.9=100 HB2 LEU 116 + HB2 ARG 35 OK 81 100 - 81 - 606/1.8=10, 624/2.9=10...(28) HG3 LYS 114 + HB2 ARG 35 OK 78 100 - 78 - 585/3.0=12, 624/2.9=10...(25) HG13 ILE 91 + HB2 ARG 35 OK 54 92 - 58 - 8997/4.3=20, 8986/3.0=12...(14) QG2 THR 110 - HB2 ARG 35 OK 20 77 - 26 - 10452/1.8=5, 9290=2...(7) Peak 598 from aliabs.peaks (0.96, 1.40, 30.17 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 35 + HB2 ARG 35 OK 100 100 - 100 - 2.9=100 QG2 THR 51 + HB2 ARG 35 OK 47 96 - 48 - 607/1.8=10, 616/2.9=8...(11) QD1 LEU 29 - HB2 ARG 35 OK 36 62 - 57 - 6188/3.6=8, 607/1.8=7...(15) QG2 VAL 63 - HB2 ARG 35 OK 15 89 - 17 - 616/2.9=4, 607/1.8=3...(6) Peak 603 from aliabs.peaks (2.07, 1.77, 30.17 ppm; 3.92 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 3.0=100 HB2 LEU 26 + HB3 ARG 35 OK 60 81 - 74 - ~257=9, 612/2.9=8...(34) HD2 ARG 49 - HB3 ARG 35 OK 30 77 - 40 - 3.0/604=5, 9826/4.3=5...(16) HG3 PRO 98 - HB3 ARG 35 OK 22 72 - 30 - ~11042=9, 594/1.8=3...(11) HB3 GLN 62 - HB3 ARG 35 lone 3 89 - 3 - HB3 LYS 61 - HB3 ARG 35 lone 1 68 - 2 - Peak 604 from aliabs.peaks (1.40, 1.77, 30.17 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 1.8=100 HG2 ARG 49 - HB3 ARG 35 OK 44 89 - 49 - ~10468=5, 613/2.9=4...(27) HG2 LYS 36 - HB3 ARG 35 OK 43 100 - 44 - 4.6/6197=11, 583/3.0=5...(16) HG LEU 116 - HB3 ARG 35 OK 42 100 - 42 - 613/2.9=4, ~3898=4...(18) HG3 LYS 93 - HB3 ARG 35 OK 13 89 - 15 - 613/2.9=1, 583/3.0=1...(7) HB VAL 82 - HB3 ARG 35 poor 7 68 - 10 - ~8799=3, ~8809=1 HG2 LYS 86 - HB3 ARG 35 lone 3 62 - 5 - Peak 605 from aliabs.peaks (1.77, 1.77, 30.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 35 + HB3 ARG 35 OK 100 100 - 100 Peak 606 from aliabs.peaks (1.06, 1.77, 30.17 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * HG2 ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 2.9=100 HB2 LEU 116 + HB3 ARG 35 OK 79 100 - 79 - 597/1.8=10, 624/2.9=10...(27) HG3 LYS 114 + HB3 ARG 35 OK 75 100 - 75 - 585/3.0=12, 624/2.9=10...(23) HG13 ILE 91 + HB3 ARG 35 OK 52 92 - 56 - 8997/4.3=20, 8986/3.0=12...(17) QG2 THR 110 - HB3 ARG 35 OK 16 77 - 21 - 10452=5, 597/1.8=3...(7) Peak 607 from aliabs.peaks (0.96, 1.77, 30.17 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 35 + HB3 ARG 35 OK 100 100 - 100 - 2.9=100 QG2 THR 51 - HB3 ARG 35 OK 42 96 - 43 - 598/1.8=8, 616/2.9=8...(11) QD1 LEU 29 - HB3 ARG 35 OK 32 62 - 51 - 6188/3.6=7, 616/2.9=7...(14) QG2 VAL 63 - HB3 ARG 35 OK 14 89 - 15 - 616/2.9=3, 598/1.8=3...(6) Peak 612 from aliabs.peaks (2.07, 1.06, 26.26 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 3.9=100 HB2 LEU 26 + HG2 ARG 35 OK 71 81 - 87 - 1.8/257=19, 3.2/273=15...(24) HD2 ARG 49 - HG2 ARG 35 OK 28 77 - 37 - ~10661=8, 3.0/613=5...(12) HG3 PRO 98 - HG2 ARG 35 OK 22 72 - 30 - ~11042=9, 603/2.9=3...(11) HB3 GLN 62 - HG2 ARG 35 lone 4 89 - 4 - HB3 LYS 61 - HG2 ARG 35 lone 3 68 - 4 - Peak 613 from aliabs.peaks (1.40, 1.06, 26.26 ppm; 4.46 A): 4 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 2.9=100 HG2 LYS 36 + HG2 ARG 35 OK 59 100 - 59 - 4.6/6198=11, 604/2.9=6...(27) HG LEU 116 + HG2 ARG 35 OK 54 100 - 54 - 604/2.9=6, 3880=6...(19) HG2 ARG 49 + HG2 ARG 35 OK 52 89 - 58 - ~10468=10, ~10467=8...(21) HG3 LYS 93 - HG2 ARG 35 OK 18 89 - 20 - 604/2.9=2, 583/3.9=2...(7) HB VAL 82 - HG2 ARG 35 OK 10 68 - 15 - 2.1/8799=5, 2.1/8809=3 HG2 LYS 86 - HG2 ARG 35 lone 4 62 - 6 - Peak 614 from aliabs.peaks (1.77, 1.06, 26.26 ppm; 4.10 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 2.9=100 HG LEU 39 + HG2 ARG 35 OK 66 98 - 68 - 2.1/10912=17...(19) HG LEU 66 + HG2 ARG 35 OK 63 94 - 67 - 11466=19, 2.1/9900=12...(20) HB2 PRO 12 - HG2 ARG 35 OK 21 89 - 23 - 596/2.9=3, 614=2...(13) HB ILE 83 - HG2 ARG 35 OK 20 100 - 20 - 596/2.9=2, ~11043=2...(6) HG LEU 95 - HG2 ARG 35 OK 14 89 - 15 - 596/2.9=2, 614=1...(4) HB3 MET 59 - HG2 ARG 35 lone 8 85 - 9 - 596/2.9=1 HB3 ARG 55 - HG2 ARG 35 lone 3 62 - 5 - Peak 615 from aliabs.peaks (1.06, 1.06, 26.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 35 + HG2 ARG 35 OK 100 100 - 100 Peak 616 from aliabs.peaks (0.96, 1.06, 26.26 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 35 + HG2 ARG 35 OK 100 100 - 100 - 1.8=100 QG2 THR 51 - HG2 ARG 35 OK 32 96 - 33 - 616=5, 607/2.9=4...(11) QD1 LEU 29 - HG2 ARG 35 OK 27 62 - 44 - 4.6/10882=7, 10909=5...(15) QG2 VAL 63 - HG2 ARG 35 OK 14 89 - 16 - 8387/11188=2...(7) Peak 621 from aliabs.peaks (2.07, 0.96, 26.26 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 3.9=100 HB2 LEU 26 + HG3 ARG 35 OK 78 81 - 96 - ~257=22, 3.1/624=22...(22) HD2 ARG 49 + HG3 ARG 35 OK 59 77 - 76 - 3.7/10467=18...(16) HG3 PRO 98 - HG3 ARG 35 OK 37 72 - 51 - ~11042=23, 594/2.9=6...(10) HB3 GLN 62 - HG3 ARG 35 lone 7 89 - 8 - HB3 LYS 61 - HG3 ARG 35 lone 5 68 - 8 - Peak 622 from aliabs.peaks (1.40, 0.96, 26.26 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * HB2 ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 2.9=100 HG2 LYS 36 + HG3 ARG 35 OK 80 100 - 81 - 4.6/6199=22, 583/3.9=10...(25) HG2 ARG 49 + HG3 ARG 35 OK 74 89 - 83 - 3.0/10467=19...(22) HG LEU 116 + HG3 ARG 35 OK 72 100 - 72 - 3.0/624=10, 613/1.8=9...(19) HG3 LYS 93 - HG3 ARG 35 OK 26 89 - 29 - 613/1.8=3, 583/3.9=3...(10) HB VAL 82 - HG3 ARG 35 OK 17 68 - 26 - ~8799=8, ~8809=4...(10) HG2 LYS 86 - HG3 ARG 35 poor 9 62 - 14 - Peak 623 from aliabs.peaks (1.77, 0.96, 26.26 ppm; 6.20 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 2.9=100 HG LEU 39 + HG3 ARG 35 OK 88 98 - 90 - ~10912=20, ~10977=17...(22) HG LEU 66 + HG3 ARG 35 OK 72 94 - 76 - 11466/1.8=19, ~9900=13...(17) HB ILE 83 - HG3 ARG 35 OK 36 100 - 36 - ~11043=4, 596/2.9=4...(17) HB2 PRO 12 - HG3 ARG 35 OK 34 89 - 37 - 596/2.9=5, 584/3.9=4...(15) HG LEU 95 - HG3 ARG 35 OK 25 89 - 27 - 596/2.9=3, 584/3.9=2...(15) HB3 MET 59 - HG3 ARG 35 OK 13 85 - 15 - 596/2.9=2, 584/3.9=2...(7) HB3 ARG 55 - HG3 ARG 35 lone 5 62 - 7 - Peak 624 from aliabs.peaks (1.06, 0.96, 26.26 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 35 + HG3 ARG 35 OK 100 100 - 100 - 1.8=100 HG3 LYS 114 - HG3 ARG 35 OK 44 100 - 44 - 3782/2.9=5, 585/3.9=5...(17) HB2 LEU 116 - HG3 ARG 35 OK 43 100 - 43 - 3866/2.9=5, 585/3.9=4...(19) HG13 ILE 91 - HG3 ARG 35 OK 21 92 - 23 - 8986/3.9=5, ~2975=2...(10) QG2 THR 110 - HG3 ARG 35 poor 8 77 - 10 - 10452/2.9=2, 9290/2.9=2 Peak 625 from aliabs.peaks (0.96, 0.96, 26.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 35 + HG3 ARG 35 OK 100 100 - 100 Peak 647 from aliabs.peaks (7.19, 3.86, 59.44 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 36 + HA LYS 36 OK 100 100 - 100 - 2.8=100 QD TYR 27 + HA LYS 36 OK 91 100 - 92 - 2.6/11208=38...(25) QE TYR 115 - HA LYS 36 OK 29 81 - 35 - 2.2/10783=10, ~10784=7...(9) Peak 648 from aliabs.peaks (3.86, 3.86, 59.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + HA LYS 36 OK 100 100 - 100 Peak 649 from aliabs.peaks (1.87, 3.86, 59.44 ppm; 3.76 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 48 + HA LYS 36 OK 74 100 - 74 - 662=14, 1.8/662=9...(39) HB2 LYS 48 + HA LYS 36 OK 71 96 - 74 - 662=13, 1.8/662=10...(37) HB2 ARG 144 + HA LYS 36 OK 51 100 - 52 - 1.8/653=5, 674/3.0=5...(24) HB3 ARG 141 - HA LYS 36 OK 32 72 - 44 - 1.8/654=8, ~679=4...(19) HB3 LYS 85 - HA LYS 36 OK 16 89 - 18 - 3.6/652=2, 674/3.0=2...(5) HB3 LYS 93 - HA LYS 36 poor 10 57 - 17 - 2.9/651=2, ~676=1...(5) HG LEU 69 - HA LYS 36 poor 9 62 - 14 - ~9892=3, 3.0/660=2 HB3 LEU 126 - HA LYS 36 lone 2 68 - 3 - Peak 650 from aliabs.peaks (2.10, 3.86, 59.44 ppm; 3.87 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.0=100 HG2 PRO 33 + HA LYS 36 OK 58 100 - 58 - 2.3/10789=11, ~10786=5...(31) HG2 PRO 118 + HA LYS 36 OK 47 96 - 49 - 3969=4, 697/3.8=4...(23) HB3 GLN 25 + HA LYS 36 OK 45 100 - 45 - ~11462=11, 2.9/10789=9...(14) HG3 PRO 33 - HA LYS 36 OK 38 72 - 53 - 2.3/10789=11, ~10786=5...(27) HB3 GLU 142 - HA LYS 36 OK 12 98 - 12 - 4.7/658=2 HG2 GLU 122 - HA LYS 36 lone 8 92 - 9 - 6219/3.6=1, ~11711=1 HB2 GLU 131 - HA LYS 36 lone 6 62 - 10 - 4.6/9590=5 HB2 PRO 129 - HA LYS 36 lone 5 68 - 8 - Peak 651 from aliabs.peaks (1.40, 3.86, 59.44 ppm; 4.09 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.8=100 HB2 ARG 35 + HA LYS 36 OK 71 100 - 71 - 3.6/11235=23, ~6197=13...(17) HG2 ARG 49 + HA LYS 36 OK 62 96 - 64 - 8195=34, ~9826=7...(16) HG LEU 116 - HA LYS 36 OK 45 100 - 45 - 2.1/659=10, ~9378=5...(15) HB VAL 82 - HA LYS 36 OK 27 81 - 33 - 660=7, ~10000=4, ~9975=4...(13) HB2 ARG 109 - HA LYS 36 OK 25 72 - 35 - 2.8/652=5, 660=4...(16) HG3 LYS 93 - HA LYS 36 OK 18 77 - 23 - 676/3.0=3, 698/3.8=2...(7) HG2 LYS 86 - HA LYS 36 lone 3 77 - 3 - Peak 652 from aliabs.peaks (1.58, 3.86, 59.44 ppm; 4.21 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.8=100 HG3 ARG 109 - HA LYS 36 OK 37 98 - 38 - 677/3.0=6, 688/3.8=6...(15) HB2 LEU 66 - HA LYS 36 OK 26 100 - 26 - 677/3.0=4, 688/3.8=4...(11) HD3 LYS 85 - HA LYS 36 OK 18 89 - 20 - 677/3.0=3, 688/3.8=2...(6) HG3 ARG 124 - HA LYS 36 OK 13 100 - 13 - 677/3.0=2, 688/3.8=2...(4) HB2 LEU 79 - HA LYS 36 OK 11 77 - 15 - 677/3.0=3, 688/3.8=3...(6) HD3 LYS 61 - HA LYS 36 lone 7 77 - 9 - 677/3.0=1 HD2 LYS 61 - HA LYS 36 lone 6 72 - 8 - 677/3.0=1 HB2 LEU 126 - HA LYS 36 lone 2 62 - 4 - Peak 653 from aliabs.peaks (1.73, 3.86, 59.44 ppm; 4.49 A): 5 out of 10 assignments used, quality = 1.00: * HD2 LYS 36 + HA LYS 36 OK 99 100 - 99 - 5.3=60, 1.8/717=39...(47) HB3 ARG 144 + HA LYS 36 OK 62 100 - 62 - 4894/3.0=7, 1.8/649=7...(25) HB3 GLU 81 + HA LYS 36 OK 57 98 - 58 - 6222/3.6=7, 678/3.0=5...(23) HB2 GLU 81 + HA LYS 36 OK 55 94 - 58 - 6222/3.6=6, 678/3.0=5...(24) HB2 ARG 49 + HA LYS 36 OK 49 89 - 55 - 3.0/8195=29, 1.8/660=8...(12) HB3 ARG 109 - HA LYS 36 OK 33 85 - 38 - 1.8/660=7, 2.8/652=6...(15) HB2 LYS 85 - HA LYS 36 OK 17 72 - 23 - 3.6/652=2, 1.8/649=2...(8) HB ILE 58 - HA LYS 36 lone 9 100 - 9 - ~8290=2, 8282/4.9=1 HG3 ARG 140 - HA LYS 36 lone 8 92 - 8 - HG3 ARG 89 - HA LYS 36 lone 7 94 - 7 - Peak 654 from aliabs.peaks (1.82, 3.86, 59.44 ppm; 3.98 A): 4 out of 8 assignments used, quality = 0.99: * HD3 LYS 36 + HA LYS 36 OK 96 100 - 96 - 5.3=42, 6208/2.8=19...(44) HB2 ARG 141 + HA LYS 36 OK 54 100 - 54 - 679/3.0=8, 690/3.8=7...(21) HB2 LYS 24 + HA LYS 36 OK 47 96 - 49 - 11341/2.8=11, ~11340=9...(16) HB3 MET 68 + HA LYS 36 OK 46 100 - 46 - 679/3.0=6, 6208/2.8=5...(14) HB3 LEU 72 - HA LYS 36 OK 18 72 - 24 - 1.8/2117=3, 3.1/2150=2...(12) HB2 MET 11 - HA LYS 36 OK 15 98 - 15 - 6223/3.6=4, 6208/2.8=3...(5) HB VAL 80 - HA LYS 36 OK 14 94 - 14 - 701/3.8=2, 690/3.8=2...(5) HB2 ARG 124 - HA LYS 36 lone 9 85 - 10 - 3.0/652=2, 701/3.8=1...(4) Peak 655 from aliabs.peaks (3.02, 3.86, 59.44 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=100 HE3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=100 HB2 PHE 67 + HA LYS 36 OK 49 100 - 49 - 8115/8104=10, 680/3.0=5...(16) Peak 656 from aliabs.peaks (3.02, 3.86, 59.44 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=100 HE2 LYS 36 + HA LYS 36 OK 100 100 - 100 - 6.4=100 HB2 PHE 67 + HA LYS 36 OK 49 100 - 49 - 8115/8104=10, 680/3.0=5...(16) Peak 657 from aliabs.peaks (7.21, 3.86, 59.44 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 37 + HA LYS 36 OK 100 100 - 100 - 3.6=100 QD PHE 45 + HA LYS 36 OK 69 100 - 69 - ~11225=21, 704/3.8=13...(24) Peak 659 from aliabs.peaks (0.98, 3.86, 59.44 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.98: * HB2 LEU 39 + HA LYS 36 OK 95 100 - 95 - 3.2/8104=50, 3.3/6253=49...(11) QD1 LEU 29 + HA LYS 36 OK 65 100 - 65 - 11472/8104=17...(16) QG2 THR 51 - HA LYS 36 OK 28 81 - 34 - 6199/2.8=9, 586/4.9=7...(9) Peak 660 from aliabs.peaks (1.38, 3.86, 59.44 ppm; 4.34 A): 6 out of 7 assignments used, quality = 0.93: * HB3 LEU 39 + HA LYS 36 OK 77 100 - 77 - 3.2/8104=30, 3.3/6253=27...(11) HB3 ARG 49 + HA LYS 36 OK 38 77 - 49 - 3.0/8195=27, 1.8/653=5...(14) HB2 ARG 109 + HA LYS 36 OK 21 72 - 29 - 2.8/652=6, 1.8/653=3...(15) HB2 LEU 69 + HA LYS 36 OK 19 94 - 20 - ~9892=3, 2015/3.0=2...(8) HG LEU 132 + HA LYS 36 OK 18 100 - 18 - 4.8/9590=6, 8195=5...(5) HB VAL 82 + HA LYS 36 OK 14 62 - 22 - ~10000=5, ~9975=5...(6) HG2 LYS 86 - HA LYS 36 lone 2 68 - 3 - Peak 662 from aliabs.peaks (3.86, 1.87, 32.12 ppm; 3.94 A): 4 out of 15 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 3.0=100 HA LYS 36 + HB3 LYS 48 OK 67 88 - 76 - 649=10, 695/2.9=10...(43) HD2 PRO 118 + HB2 LYS 36 OK 55 98 - 57 - 673/1.8=9, 684/3.0=6...(25) HA LYS 36 + HB2 LYS 48 OK 54 71 - 76 - 649=10, 695/2.9=10...(43) HA MET 68 - HB2 LYS 36 OK 45 100 - 45 - 673/1.8=8, 695/3.0=5...(20) HA LEU 72 - HB2 LYS 36 OK 21 96 - 22 - 673/1.8=4, 684/3.0=3...(9) HA MET 68 - HB3 LYS 48 OK 12 88 - 13 - 1958/3.6=1, 1951/3.6=1 HA MET 68 - HB2 LYS 48 poor 10 71 - 14 - 1958/3.6=1, 1951/3.6=1 HD2 PRO 118 - HB3 LYS 48 lone 5 84 - 5 - HD2 PRO 118 - HB2 LYS 48 lone 4 67 - 5 - HA LEU 72 - HB3 LYS 48 lone 2 82 - 2 - HA ALA 104 - HB2 LYS 36 lone 2 68 - 2 - HA ALA 104 - HB3 LYS 48 lone 2 53 - 3 - HA LEU 72 - HB2 LYS 48 lone 2 65 - 2 - HA ALA 104 - HB2 LYS 48 lone 1 41 - 3 - Peak 663 from aliabs.peaks (1.87, 1.87, 32.12 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 HB3 LYS 48 + HB3 LYS 48 OK 88 88 - 100 HB2 LYS 48 + HB2 LYS 48 OK 65 65 - 100 Peak 664 from aliabs.peaks (2.10, 1.87, 32.12 ppm; 3.19 A): 4 out of 27 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 LYS 36 + HB3 LYS 48 OK 63 88 - 72 - 674=10, 674/1.8=8...(52) HB3 LYS 36 + HB2 LYS 48 OK 51 71 - 72 - 674=10, 674/1.8=8...(51) HG2 PRO 33 + HB2 LYS 36 OK 49 100 - 49 - 3.8/10790=6, 686/3.0=4...(32) HG2 PRO 118 - HB2 LYS 36 OK 40 96 - 42 - ~673=4, 697/3.0=3...(22) HG3 PRO 33 - HB2 LYS 36 OK 34 72 - 46 - 3.8/10790=6, ~10789=4...(30) HB3 GLN 25 - HB2 LYS 36 OK 21 100 - 21 - 650/3.0=3, ~10789=3...(10) HB3 GLU 142 - HB2 LYS 36 lone 9 98 - 9 - HG2 GLU 122 - HB2 LYS 36 lone 5 92 - 5 - HB2 PRO 129 - HB2 LYS 36 lone 4 68 - 5 - HG2 PRO 33 - HB3 LYS 48 lone 3 88 - 4 - HB3 GLN 25 - HB3 LYS 48 lone 3 88 - 3 - HB2 GLU 131 - HB2 LYS 36 lone 3 62 - 4 - HG2 PRO 118 - HB3 LYS 48 lone 3 82 - 3 - HG2 PRO 33 - HB2 LYS 48 lone 2 70 - 4 - HB3 GLN 25 - HB2 LYS 48 lone 2 71 - 3 - HG2 PRO 118 - HB2 LYS 48 lone 2 65 - 3 - HG3 PRO 33 - HB3 LYS 48 lone 2 58 - 3 - HB2 PRO 129 - HB3 LYS 48 lone 2 53 - 3 - HB3 GLU 142 - HB3 LYS 48 lone 1 84 - 2 - HG3 PRO 33 - HB2 LYS 48 lone 1 44 - 3 - HB2 PRO 129 - HB2 LYS 48 lone 1 41 - 3 - HG2 GLU 122 - HB3 LYS 48 lone 1 76 - 1 - HB3 GLU 142 - HB2 LYS 48 lone 1 67 - 1 - HG2 GLU 122 - HB2 LYS 48 lone 1 60 - 1 - HB2 GLU 131 - HB3 LYS 48 lone 0 49 - 1 - HB2 GLU 131 - HB2 LYS 48 lone 0 37 - 1 - Peak 665 from aliabs.peaks (1.40, 1.87, 32.12 ppm; 3.02 A): 3 out of 24 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 3.0=100 HG2 LYS 36 + HB3 LYS 48 OK 61 88 - 69 - 685=10, 685/1.8=7...(36) HG2 LYS 36 + HB2 LYS 48 OK 49 71 - 69 - 685=9, 685/1.8=7...(38) HG2 ARG 49 - HB2 LYS 36 OK 33 96 - 34 - 8195/3.0=12, 698/3.0=3...(11) HG LEU 116 - HB2 LYS 36 OK 31 100 - 31 - 2.1/9378=4, 2.1/10295=3...(15) HG3 LYS 93 - HB3 LYS 48 OK 31 62 - 50 - 698/2.9=3, 3072/3.6=3...(32) HB2 ARG 35 - HB2 LYS 36 OK 29 100 - 29 - 4.3/6203=6, 11623/3.0=4...(12) HG3 LYS 93 - HB2 LYS 48 OK 25 48 - 52 - 698/2.9=3, 3072/3.6=3...(34) HB2 ARG 109 - HB2 LYS 36 OK 21 72 - 29 - 698/3.0=2, ~677=2...(17) HG2 ARG 49 - HB3 LYS 48 OK 16 82 - 19 - 1265/4.3=6, 1270/2.9=1...(4) HG3 LYS 93 - HB2 LYS 36 OK 14 77 - 18 - 676/1.8=2, 698/3.0=2...(4) HB VAL 82 - HB2 LYS 36 OK 14 81 - 17 - 2.1/8801=5, 660/3.0=2...(6) HG2 ARG 49 - HB2 LYS 48 OK 12 65 - 19 - 1265/4.3=6, 1270/2.9=1...(4) HG LEU 116 - HB3 LYS 48 poor 9 88 - 11 - 2.1/10295=2, 2.1/9378=2...(4) HB VAL 82 - HB3 LYS 48 poor 9 66 - 13 - 2.1/8801=4, ~8801=2...(4) HG LEU 116 - HB2 LYS 48 poor 8 71 - 12 - 2.1/9378=2, ~10295=2...(6) HB VAL 82 - HB2 LYS 48 poor 7 51 - 13 - 2.1/8801=4, ~8801=2...(4) HB2 ARG 35 - HB3 LYS 48 lone 5 87 - 6 - 4.3/6203=3 HB2 ARG 109 - HB3 LYS 48 lone 4 58 - 8 - ~3539=1 HB2 ARG 35 - HB2 LYS 48 lone 4 69 - 6 - 4.3/6203=3 HB2 ARG 109 - HB2 LYS 48 lone 3 44 - 8 - ~3539=1 HG2 LYS 86 - HB2 LYS 36 lone 2 77 - 2 - HG2 LYS 86 - HB3 LYS 48 lone 1 62 - 2 - HG2 LYS 86 - HB2 LYS 48 lone 1 48 - 2 - Peak 666 from aliabs.peaks (1.58, 1.87, 32.12 ppm; 3.18 A): 3 out of 27 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 3.0=100 HG3 LYS 36 + HB3 LYS 48 OK 64 88 - 72 - 696=9, 1.8/685=7...(37) HG3 LYS 36 + HB2 LYS 48 OK 51 71 - 72 - 696=9, 1.8/685=7...(38) HD3 LYS 85 - HB3 LYS 48 OK 35 73 - 48 - 2640/1.8=3, 3.0/2607=2...(17) HG3 ARG 109 - HB2 LYS 36 OK 35 98 - 36 - 688/3.0=4, 677/1.8=4...(13) HD3 LYS 85 - HB2 LYS 48 OK 27 57 - 47 - 3.0/2607=3, 3.0/2618=3...(15) HB2 LEU 66 - HB2 LYS 36 OK 20 100 - 20 - 688/3.0=3, 677/1.8=3...(6) HB2 LEU 79 - HB2 LYS 36 OK 15 77 - 20 - 688/3.0=2, 677/1.8=2...(8) HD3 LYS 85 - HB2 LYS 36 OK 13 89 - 14 - 677/1.8=2, 688/3.0=2...(4) HG3 ARG 124 - HB2 LYS 36 OK 12 100 - 11 - 677/1.8=2, 688/3.0=2...(4) HG3 ARG 109 - HB3 LYS 48 lone 8 84 - 10 - 11591/3.0=2 HB2 LEU 66 - HB3 LYS 48 lone 7 88 - 8 - HG3 ARG 109 - HB2 LYS 48 lone 6 67 - 10 - 11591/3.0=2 HD3 LYS 61 - HB2 LYS 36 lone 6 77 - 7 - HB2 LEU 66 - HB2 LYS 48 lone 5 70 - 7 - HD2 LYS 61 - HB2 LYS 36 lone 5 72 - 7 - HG3 ARG 124 - HB3 LYS 48 lone 4 88 - 4 - HB2 LEU 126 - HB3 LYS 48 lone 4 49 - 7 - HG3 ARG 124 - HB2 LYS 48 lone 3 71 - 4 - HB2 LEU 126 - HB2 LYS 48 lone 3 37 - 7 - HB2 LEU 126 - HB2 LYS 36 lone 2 62 - 3 - HB2 LEU 79 - HB3 LYS 48 lone 2 62 - 3 - HD3 LYS 61 - HB3 LYS 48 lone 1 62 - 2 - HD2 LYS 61 - HB3 LYS 48 lone 1 58 - 2 - HB2 LEU 79 - HB2 LYS 48 lone 1 48 - 3 - HD3 LYS 61 - HB2 LYS 48 lone 1 48 - 2 - HD2 LYS 61 - HB2 LYS 48 lone 1 44 - 2 - Peak 667 from aliabs.peaks (1.73, 1.87, 32.12 ppm; 3.24 A): 5 out of 30 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 96 100 - 96 - 3.6=71, 1.8/718=14...(44) HD2 LYS 36 + HB3 LYS 48 OK 56 88 - 63 - 1.8/718=8, 707=6...(35) HB3 ARG 144 + HB3 LYS 48 OK 54 88 - 61 - 4894=8, 4894/1.8=7...(35) HB3 ARG 144 + HB2 LYS 36 OK 53 100 - 54 - 4894=7, 678/1.8=4...(25) HD2 LYS 36 + HB2 LYS 48 OK 45 71 - 63 - 1.8/718=8, 707=6...(35) HB3 GLU 81 - HB2 LYS 36 OK 44 98 - 45 - 722/3.6=4, 678/1.8=4...(26) HB3 ARG 144 - HB2 LYS 48 OK 44 70 - 62 - 4894=8, 4894/1.8=7...(37) HB2 GLU 81 - HB2 LYS 36 OK 43 94 - 46 - 722/3.6=4, 678/1.8=4...(26) HB2 ARG 49 - HB2 LYS 36 OK 31 89 - 35 - ~8195=6, ~8196=3...(16) HB3 ARG 109 - HB2 LYS 36 OK 27 85 - 32 - 678/1.8=3, ~677=2...(17) HB2 LYS 85 - HB3 LYS 48 OK 25 58 - 44 - 2.9/1160=3, 2584/1.8=3...(25) HB2 LYS 85 - HB2 LYS 48 OK 19 44 - 43 - 3.0/2607=3, 2.9/1148=3...(26) HB2 ARG 49 - HB3 LYS 48 OK 16 73 - 23 - 6464/4.3=5, 4.7/8191=3...(5) HB2 LYS 85 - HB2 LYS 36 OK 13 72 - 17 - 678/1.8=1, ~674=1, 689/3.0=1 HB2 ARG 49 - HB2 LYS 48 OK 12 57 - 22 - 6464/4.3=5, 4.7/8191=3...(5) HB3 ARG 109 - HB3 LYS 48 lone 7 70 - 10 - 3539/3.0=2, ~9276=1, ~3529=1 HB3 GLU 81 - HB3 LYS 48 lone 6 84 - 8 - HB2 GLU 81 - HB3 LYS 48 lone 6 79 - 8 - HB ILE 58 - HB2 LYS 36 lone 6 100 - 6 - ~8290=1 HB3 ARG 109 - HB2 LYS 48 lone 5 54 - 9 - 3539/3.0=2, ~9276=1, ~3529=1 HB3 GLU 81 - HB2 LYS 48 lone 5 67 - 7 - HB2 GLU 81 - HB2 LYS 48 lone 5 62 - 7 - HG3 ARG 140 - HB2 LYS 36 lone 4 92 - 5 - HG3 ARG 89 - HB3 LYS 48 lone 4 79 - 5 - HG3 ARG 89 - HB2 LYS 36 lone 4 94 - 4 - HG3 ARG 140 - HB3 LYS 48 lone 4 76 - 5 - 6464/4.3=1 HB ILE 58 - HB3 LYS 48 lone 3 88 - 4 - HG3 ARG 89 - HB2 LYS 48 lone 3 62 - 5 - HG3 ARG 140 - HB2 LYS 48 lone 3 60 - 4 - 6464/4.3=1 HB ILE 58 - HB2 LYS 48 lone 3 71 - 4 - Peak 669 from aliabs.peaks (3.02, 1.87, 32.12 ppm; 4.68 A): 6 out of 9 assignments used, quality = 1.00: * HE2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 4.8=96, 680/1.8=18...(49) HE3 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 4.8=96, 681/1.8=18...(49) HE2 LYS 36 + HB3 LYS 48 OK 57 88 - 64 - 3.0/718=9, 3.9/685=8...(23) HE3 LYS 36 + HB3 LYS 48 OK 57 88 - 64 - 3.0/718=9, 3.9/685=8...(23) HE2 LYS 36 + HB2 LYS 48 OK 46 71 - 65 - 3.0/718=9, 3.9/685=8...(23) HE3 LYS 36 + HB2 LYS 48 OK 46 71 - 65 - 3.0/718=9, 3.9/685=8...(23) HB2 PHE 67 - HB2 LYS 36 OK 21 100 - 21 - 680/1.8=5, 691/3.0=3...(6) HB2 PHE 67 - HB3 LYS 48 poor 9 88 - 10 - 1936/4.9=2, 1936/4.9=1 HB2 PHE 67 - HB2 LYS 48 poor 7 70 - 10 - 1936/4.9=2, 1936/4.9=1 Peak 670 from aliabs.peaks (3.02, 1.87, 32.12 ppm; 4.68 A): 6 out of 9 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 4.8=96, 681/1.8=18...(49) HE2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 4.8=96, 681/1.8=18...(49) HE3 LYS 36 + HB3 LYS 48 OK 57 88 - 64 - 3.0/718=9, 3.9/685=8...(23) HE2 LYS 36 + HB3 LYS 48 OK 57 88 - 64 - 3.0/718=9, 3.9/685=8...(23) HE3 LYS 36 + HB2 LYS 48 OK 46 71 - 65 - 3.0/718=9, 3.9/685=8...(23) HE2 LYS 36 + HB2 LYS 48 OK 46 71 - 65 - 3.0/718=9, 3.9/685=8...(23) HB2 PHE 67 - HB2 LYS 36 OK 21 100 - 21 - 680/1.8=5, 691/3.0=3...(6) HB2 PHE 67 - HB3 LYS 48 poor 9 87 - 10 - 1936/4.9=2, 1936/4.9=1 HB2 PHE 67 - HB2 LYS 48 poor 7 69 - 10 - 1936/4.9=2, 1936/4.9=1 Peak 673 from aliabs.peaks (3.86, 2.10, 32.12 ppm; 4.05 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HD2 PRO 118 + HB3 LYS 36 OK 59 98 - 61 - 684/3.0=6, 3927=6...(25) HA MET 68 + HB3 LYS 36 OK 49 100 - 49 - 3.0/679=6, 695/3.0=5...(21) HA LEU 72 - HB3 LYS 36 OK 23 96 - 24 - 684/3.0=3, 695/3.0=3...(8) HA ALA 104 - HB3 LYS 36 lone 2 68 - 3 - Peak 674 from aliabs.peaks (1.87, 2.10, 32.12 ppm; 3.14 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 LYS 48 + HB3 LYS 36 OK 69 100 - 69 - 664=7, 662/3.0=5...(51) HB2 LYS 48 + HB3 LYS 36 OK 66 96 - 69 - 664=6, 1.8/664=5...(49) HB2 ARG 144 + HB3 LYS 36 OK 50 100 - 51 - 1.8/678=4, 685/3.0=4...(27) HB3 ARG 141 - HB3 LYS 36 OK 33 72 - 46 - 1.8/679=7, ~690=3...(23) HB3 LYS 85 - HB3 LYS 36 OK 16 89 - 18 - 3.6/677=1, 1.8/678=1...(4) HB3 LYS 93 - HB3 LYS 36 OK 12 57 - 20 - 2.9/676=2, ~3027=1...(4) HG LEU 69 - HB3 LYS 36 poor 7 62 - 11 - 2.1/9892=3 HB3 LEU 126 - HB3 LYS 36 lone 2 68 - 3 - Peak 675 from aliabs.peaks (2.10, 2.10, 32.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 Peak 676 from aliabs.peaks (1.40, 2.10, 32.12 ppm; 4.03 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 ARG 35 + HB3 LYS 36 OK 57 100 - 57 - 4.3/672=14, 11623/3.0=10...(19) HG LEU 116 + HB3 LYS 36 OK 54 100 - 55 - ~9378=6, ~10295=6...(21) HG2 ARG 49 + HB3 LYS 36 OK 54 96 - 56 - 8195/3.0=22, 698/3.0=5...(25) HB2 ARG 109 - HB3 LYS 36 OK 34 72 - 47 - 2.8/677=6, 698/3.0=4...(28) HG3 LYS 93 - HB3 LYS 36 OK 26 77 - 34 - 698/3.0=3, 720/3.6=2...(15) HB VAL 82 - HB3 LYS 36 OK 24 81 - 30 - ~8801=6, ~8801=5...(13) HG2 LYS 86 - HB3 LYS 36 lone 3 77 - 4 - Peak 677 from aliabs.peaks (1.58, 2.10, 32.12 ppm; 3.96 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HB3 LYS 36 OK 49 98 - 50 - 688/3.0=6, 721/3.6=6...(27) HB2 LEU 66 - HB3 LYS 36 OK 30 100 - 30 - 688/3.0=4, 652/3.0=3...(11) HB2 LEU 79 - HB3 LYS 36 OK 23 77 - 30 - 688/3.0=3, 721/3.6=3...(16) HD3 LYS 85 - HB3 LYS 36 OK 23 89 - 25 - 688/3.0=2, 652/3.0=2...(10) HG3 ARG 124 - HB3 LYS 36 OK 18 100 - 18 - 688/3.0=2, 721/3.6=2...(5) HD3 LYS 61 - HB3 LYS 36 poor 8 77 - 11 - HD2 LYS 61 - HB3 LYS 36 poor 8 72 - 10 - HB2 LEU 126 - HB3 LYS 36 lone 3 62 - 5 - Peak 678 from aliabs.peaks (1.73, 2.10, 32.12 ppm; 3.84 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.6=100 HB3 ARG 144 + HB3 LYS 36 OK 63 100 - 64 - 4894/1.8=7, 1.8/674=7...(33) HB3 GLU 81 + HB3 LYS 36 OK 54 98 - 55 - 708=5, 722/3.6=5...(27) HB2 GLU 81 + HB3 LYS 36 OK 53 94 - 56 - 722/3.6=5, 689/3.0=5...(27) HB2 ARG 49 - HB3 LYS 36 OK 41 89 - 46 - ~8195=10, ~8196=5...(19) HB3 ARG 109 - HB3 LYS 36 OK 36 85 - 42 - 2.8/677=5, 1.8/676=3...(21) HB2 LYS 85 - HB3 LYS 36 OK 18 72 - 25 - 3.6/677=2, 1.8/674=2...(8) HB ILE 58 - HB3 LYS 36 lone 7 100 - 7 - 3.2/8290=2 HG3 ARG 89 - HB3 LYS 36 lone 6 94 - 6 - HG3 ARG 140 - HB3 LYS 36 lone 5 92 - 6 - Peak 679 from aliabs.peaks (1.82, 2.10, 32.12 ppm; 3.45 A): 2 out of 8 assignments used, quality = 0.99: * HD3 LYS 36 + HB3 LYS 36 OK 98 100 - 98 - 3.6=86, 717/3.0=18...(50) HB2 ARG 141 + HB3 LYS 36 OK 52 100 - 53 - 690/3.0=7, 701/3.0=6...(27) HB3 MET 68 - HB3 LYS 36 OK 39 100 - 39 - 3.0/673=5, 690/3.0=5...(17) HB2 LYS 24 - HB3 LYS 36 OK 32 96 - 34 - 11341/3.9=7, 654/3.0=4...(15) HB3 LEU 72 - HB3 LYS 36 OK 15 72 - 20 - 3.0/673=2, 654/3.0=2...(10) HB2 MET 11 - HB3 LYS 36 OK 12 98 - 12 - 6223/4.5=2, 6208/3.9=2...(7) HB VAL 80 - HB3 LYS 36 OK 11 94 - 12 - 701/3.0=2, 690/3.0=2...(4) HB2 ARG 124 - HB3 LYS 36 poor 9 85 - 11 - 3.0/677=2, 701/3.0=1, 690/3.0=1 Peak 680 from aliabs.peaks (3.02, 2.10, 32.12 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=87, 3.0/679=19...(50) HE3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=87, 3.0/679=19...(50) HB2 PHE 67 - HB3 LYS 36 OK 24 100 - 24 - 691/3.0=3, 702/3.0=3...(8) Peak 681 from aliabs.peaks (3.02, 2.10, 32.12 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=87, 3.0/679=19...(50) HE2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.8=87, 3.0/679=19...(50) HB2 PHE 67 - HB3 LYS 36 OK 24 100 - 24 - 691/3.0=3, 702/3.0=3...(8) Peak 684 from aliabs.peaks (3.86, 1.40, 25.32 ppm; 4.92 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.8=100 HD2 PRO 118 + HG2 LYS 36 OK 77 98 - 79 - 4.6/10794=20, 695/1.8=11...(32) HA MET 68 + HG2 LYS 36 OK 61 100 - 61 - 695/1.8=9, 673/3.0=9...(22) HA LEU 72 - HG2 LYS 36 OK 32 96 - 33 - 695/1.8=4, 673/3.0=4...(14) HA ALA 104 - HG2 LYS 36 lone 4 68 - 5 - Peak 685 from aliabs.peaks (1.87, 1.40, 25.32 ppm; 3.48 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 48 + HG2 LYS 36 OK 78 100 - 78 - 696/1.8=7, 2.9/688=6...(52) HB2 LYS 48 + HG2 LYS 36 OK 75 96 - 78 - 696/1.8=7, 2.9/688=6...(52) HB2 ARG 144 + HG2 LYS 36 OK 63 100 - 63 - 696/1.8=6, 1.8/689=6...(36) HB3 ARG 141 - HG2 LYS 36 OK 41 72 - 57 - 1.8/690=9, ~701=5...(29) HB3 LYS 85 - HG2 LYS 36 OK 21 89 - 23 - 696/1.8=2, 3.6/688=2...(6) HB3 LYS 93 - HG2 LYS 36 OK 17 57 - 30 - 1.8/3027=3, 3.0/3015=2...(11) HG LEU 69 - HG2 LYS 36 poor 6 62 - 10 - ~9892=3 HB3 LEU 126 - HG2 LYS 36 lone 4 68 - 5 - Peak 686 from aliabs.peaks (2.10, 1.40, 25.32 ppm; 4.10 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.0=100 HG2 PRO 33 + HG2 LYS 36 OK 65 100 - 66 - 3.8/10606=8, 697/1.8=7...(35) HG2 PRO 118 + HG2 LYS 36 OK 59 96 - 61 - 2.3/684=7, 697/1.8=7...(30) HG3 PRO 33 - HG2 LYS 36 OK 44 72 - 61 - 3.8/10606=8, ~697=5...(35) HB3 GLN 25 - HG2 LYS 36 OK 27 100 - 27 - 650/3.8=4, 697/1.8=3...(11) HB3 GLU 142 - HG2 LYS 36 OK 11 98 - 11 - 697/1.8=1, 719/2.9=1, 650/3.8=1 HG2 GLU 122 - HG2 LYS 36 lone 7 92 - 7 - HB2 PRO 129 - HG2 LYS 36 lone 5 68 - 8 - HB2 GLU 131 - HG2 LYS 36 lone 4 62 - 6 - Peak 687 from aliabs.peaks (1.40, 1.40, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 Peak 688 from aliabs.peaks (1.58, 1.40, 25.32 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 1.8=100 HG3 ARG 109 - HG2 LYS 36 OK 40 98 - 41 - 721/2.9=4, 3561/2.9=4...(17) HB2 LEU 66 - HG2 LYS 36 OK 24 100 - 24 - 3.1/9865=3, 721/2.9=2...(8) HB2 LEU 79 - HG2 LYS 36 OK 19 77 - 25 - 3.1/11004=4, 721/2.9=2...(11) HD3 LYS 85 - HG2 LYS 36 OK 15 89 - 17 - 677/3.0=2, 721/2.9=1, 652/3.8=1 HG3 ARG 124 - HG2 LYS 36 OK 15 100 - 14 - 721/2.9=2, 677/3.0=1 HD3 LYS 61 - HG2 LYS 36 lone 6 77 - 7 - HD2 LYS 61 - HG2 LYS 36 lone 5 72 - 7 - HB2 LEU 126 - HG2 LYS 36 lone 2 62 - 4 - Peak 689 from aliabs.peaks (1.73, 1.40, 25.32 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 2.9=100 HB3 ARG 144 + HG2 LYS 36 OK 69 100 - 70 - 1.8/685=7, 700/1.8=6...(43) HB3 GLU 81 + HG2 LYS 36 OK 65 98 - 67 - 709=6, 722/2.9=6...(48) HB2 GLU 81 + HG2 LYS 36 OK 63 94 - 67 - 722/2.9=6, 700/1.8=6...(48) HB3 ARG 109 - HG2 LYS 36 OK 42 85 - 49 - 2.8/688=6, 700/1.8=4...(27) HB2 ARG 49 - HG2 LYS 36 OK 39 89 - 44 - 1251=5, 1.8/1260=5...(19) HB2 LYS 85 - HG2 LYS 36 OK 19 72 - 25 - 1.8/685=2, 3.6/688=2...(5) HG3 ARG 140 - HG2 LYS 36 lone 8 92 - 8 - HG3 ARG 89 - HG2 LYS 36 lone 8 94 - 8 - HB ILE 58 - HG2 LYS 36 lone 7 100 - 7 - ~8290=1 Peak 690 from aliabs.peaks (1.82, 1.40, 25.32 ppm; 3.53 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 2.9=100 HB2 ARG 141 + HG2 LYS 36 OK 61 100 - 62 - 701/1.8=8, 679/3.0=7...(34) HB3 MET 68 - HG2 LYS 36 OK 43 100 - 43 - 701/1.8=5, 679/3.0=5...(19) HB2 LYS 24 - HG2 LYS 36 OK 37 96 - 38 - 11341/4.6=6, 701/1.8=4...(17) HB VAL 80 - HG2 LYS 36 OK 17 94 - 18 - 701/1.8=2, ~2427=1...(9) HB3 LEU 72 - HG2 LYS 36 OK 16 72 - 22 - 3.1/10173=2, 3.0/684=2...(6) HB2 MET 11 - HG2 LYS 36 OK 13 98 - 13 - 701/1.8=2, 679/3.0=1...(4) HB2 ARG 124 - HG2 LYS 36 OK 13 85 - 15 - 3.0/688=2, 701/1.8=2, ~4218=1 Peak 691 from aliabs.peaks (3.02, 1.40, 25.32 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.9=98, 702/1.8=17...(45) HE3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.9=98, 703/1.8=17...(45) HB2 PHE 67 - HG2 LYS 36 OK 18 100 - 18 - 702/1.8=3, 680/3.0=3...(7) Peak 692 from aliabs.peaks (3.02, 1.40, 25.32 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.9=98, 703/1.8=17...(45) HE2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.9=98, 703/1.8=17...(45) HB2 PHE 67 - HG2 LYS 36 OK 18 100 - 18 - 702/1.8=3, 680/3.0=3...(7) Peak 694 from aliabs.peaks (7.19, 1.58, 25.32 ppm; 5.71 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 4.6=100 QD TYR 27 + HG3 LYS 36 OK 90 100 - 91 - 2.2/9779=25, ~10614=25...(17) QE TYR 115 - HG3 LYS 36 OK 20 81 - 25 - ~10784=9, 647/3.8=5...(6) Peak 695 from aliabs.peaks (3.86, 1.58, 25.32 ppm; 4.84 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.8=100 HD2 PRO 118 + HG3 LYS 36 OK 71 98 - 72 - 684/1.8=11, 673/3.0=10...(30) HA MET 68 + HG3 LYS 36 OK 59 100 - 59 - 684/1.8=9, 673/3.0=8...(20) HA LEU 72 - HG3 LYS 36 OK 28 96 - 29 - 684/1.8=5, 673/3.0=4...(13) HA ALA 104 - HG3 LYS 36 lone 3 68 - 4 - Peak 696 from aliabs.peaks (1.87, 1.58, 25.32 ppm; 3.25 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 48 + HG3 LYS 36 OK 72 100 - 72 - 685/1.8=8, 666=7...(40) HB2 LYS 48 + HG3 LYS 36 OK 69 96 - 72 - 685/1.8=7, 666=6...(41) HB2 ARG 144 + HG3 LYS 36 OK 59 100 - 60 - 685/1.8=6, 4887=5...(34) HB3 ARG 141 - HG3 LYS 36 OK 36 72 - 51 - 1.8/701=7, ~690=5...(24) HB3 LYS 85 - HG3 LYS 36 OK 17 89 - 19 - 685/1.8=2, 1.8/700=1...(4) HB3 LYS 93 - HG3 LYS 36 OK 14 57 - 25 - ~3027=2, 2.9/698=2...(7) HG LEU 69 - HG3 LYS 36 lone 5 62 - 8 - ~9892=2 HB3 LEU 126 - HG3 LYS 36 lone 3 68 - 4 - Peak 697 from aliabs.peaks (2.10, 1.58, 25.32 ppm; 4.06 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.0=100 HG2 PRO 33 + HG3 LYS 36 OK 60 100 - 60 - 686/1.8=8, 719/2.9=6...(33) HG2 PRO 118 + HG3 LYS 36 OK 58 96 - 60 - 2.3/695=7, 686/1.8=7...(30) HG3 PRO 33 - HG3 LYS 36 OK 41 72 - 57 - 686/1.8=6, ~686=5...(33) HB3 GLN 25 - HG3 LYS 36 OK 27 100 - 26 - 650/3.8=4, 686/1.8=3...(12) HB3 GLU 142 - HG3 LYS 36 OK 12 98 - 12 - 686/1.8=1, 719/2.9=1, 650/3.8=1 HG2 GLU 122 - HG3 LYS 36 lone 6 92 - 6 - HB2 PRO 129 - HG3 LYS 36 lone 5 68 - 7 - HB2 GLU 131 - HG3 LYS 36 lone 4 62 - 6 - Peak 698 from aliabs.peaks (1.40, 1.58, 25.32 ppm; 3.14 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 1.8=100 HG LEU 116 - HG3 LYS 36 OK 38 100 - 38 - 2.1/10689=4, ~3890=3...(20) HG2 ARG 49 - HG3 LYS 36 OK 37 96 - 39 - 8195/3.8=11, 720/2.9=3...(17) HB2 ARG 35 - HG3 LYS 36 OK 34 100 - 34 - 4.3/6206=5, 11623/3.8=5...(17) HB2 ARG 109 - HG3 LYS 36 OK 28 72 - 39 - 1.8/700=3, 720/2.9=3...(23) HB VAL 82 - HG3 LYS 36 OK 19 81 - 23 - 2.1/8807=2, ~8801=2...(11) HG3 LYS 93 - HG3 LYS 36 OK 19 77 - 24 - 676/3.0=2, 720/2.9=2...(11) HG2 LYS 86 - HG3 LYS 36 lone 2 77 - 2 - Peak 699 from aliabs.peaks (1.58, 1.58, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 Peak 700 from aliabs.peaks (1.73, 1.58, 25.32 ppm; 3.66 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 2.9=100 HB3 ARG 144 + HG3 LYS 36 OK 70 100 - 70 - 1.8/696=7, 689/1.8=6...(43) HB3 GLU 81 + HG3 LYS 36 OK 65 98 - 67 - 689/1.8=6, 722/2.9=6...(48) HB2 GLU 81 + HG3 LYS 36 OK 64 94 - 67 - 689/1.8=6, 722/2.9=6...(48) HB3 ARG 109 - HG3 LYS 36 OK 43 85 - 50 - 1.8/698=4, 689/1.8=4...(30) HB2 ARG 49 - HG3 LYS 36 OK 35 89 - 39 - 3.0/698=4, 1251/1.8=4...(17) HB2 LYS 85 - HG3 LYS 36 OK 18 72 - 24 - 1.8/696=2, 689/1.8=2...(9) HB ILE 58 - HG3 LYS 36 lone 8 100 - 8 - 2.1/9824=1, ~8290=1 HG3 ARG 140 - HG3 LYS 36 lone 7 92 - 8 - HG3 ARG 89 - HG3 LYS 36 lone 7 94 - 7 - Peak 701 from aliabs.peaks (1.82, 1.58, 25.32 ppm; 3.38 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 2.9=100 HB2 ARG 141 + HG3 LYS 36 OK 59 100 - 59 - 690/1.8=8, 679/3.0=6...(32) HB3 MET 68 - HG3 LYS 36 OK 40 100 - 40 - 690/1.8=6, 679/3.0=5...(18) HB2 LYS 24 - HG3 LYS 36 OK 32 96 - 33 - 11341/4.6=6, 690/1.8=4...(14) HB VAL 80 - HG3 LYS 36 OK 18 94 - 19 - 3.7/6857=3, 690/1.8=2...(7) HB3 LEU 72 - HG3 LYS 36 OK 14 72 - 20 - 690/1.8=2, 679/3.0=2...(6) HB2 ARG 124 - HG3 LYS 36 OK 14 85 - 16 - 4209=2, 1.8/4218=1...(5) HB2 MET 11 - HG3 LYS 36 OK 12 98 - 12 - 690/1.8=2, 679/3.0=1...(4) Peak 702 from aliabs.peaks (3.02, 1.58, 25.32 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=100 HE3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=100 HB2 PHE 67 - HG3 LYS 36 OK 17 100 - 16 - 691/1.8=3, 680/3.0=3...(6) Peak 703 from aliabs.peaks (3.02, 1.58, 25.32 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=100 HE2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.9=100 HB2 PHE 67 - HG3 LYS 36 OK 16 100 - 16 - 691/1.8=3, 680/3.0=3...(6) Peak 704 from aliabs.peaks (7.21, 1.58, 25.32 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 37 + HG3 LYS 36 OK 89 100 - 89 - 6223/2.9=23, 6218/3.0=22...(19) QD PHE 45 + HG3 LYS 36 OK 58 100 - 58 - 657/3.8=12, 693/1.8=10...(19) Peak 705 from aliabs.peaks (7.19, 1.73, 28.90 ppm; 5.51 A): 3 out of 9 assignments used, quality = 1.00: * H LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 5.6=95, ~717=33...(22) QD TYR 27 + HD2 LYS 36 OK 90 100 - 91 - ~11490=24, 2.2/10797=21...(19) H LYS 36 + HB3 GLU 81 OK 45 79 - 57 - 3.9/6222=8, 2.8/706=8...(15) H LYS 36 - HB2 GLU 81 OK 38 67 - 57 - 3.9/6222=8, 2.8/706=7...(16) QE TYR 115 - HD2 LYS 36 OK 13 81 - 16 - 647/5.3=3, 694/2.9=3...(4) QD TYR 27 - HB3 GLU 81 OK 13 77 - 16 - 2.2/10797=3, ~10797=2...(6) QD TYR 27 - HB2 GLU 81 OK 12 66 - 18 - 2.2/10797=3, ~10797=2...(7) QE TYR 115 - HB3 GLU 81 lone 4 57 - 7 - 9866/1910=2, 10000/11010=1 QE TYR 115 - HB2 GLU 81 lone 3 48 - 7 - 10000/8783=2 Peak 706 from aliabs.peaks (3.86, 1.73, 28.90 ppm; 5.90 A): 5 out of 15 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 5.3=100 HD2 PRO 118 + HD2 LYS 36 OK 73 98 - 75 - 684/2.9=12, 695/2.9=12...(21) HA MET 68 + HD2 LYS 36 OK 67 100 - 67 - 695/2.9=10, 684/2.9=10...(22) HA LYS 36 + HB3 GLU 81 OK 57 79 - 73 - 3.6/6222=10, 3.8/700=7...(26) HA LYS 36 + HB2 GLU 81 OK 49 67 - 73 - 3.6/6222=9, 653/1.8=7...(24) HD2 PRO 118 - HB3 GLU 81 OK 38 74 - 51 - 3928/3.0=5, ~2445=5...(21) HA LEU 72 - HD2 LYS 36 OK 37 96 - 38 - 684/2.9=5, 695/2.9=5...(16) HD2 PRO 118 - HB2 GLU 81 OK 32 63 - 50 - 3928/3.0=5, ~2452=4...(21) HA LEU 72 - HB3 GLU 81 OK 30 72 - 42 - ~8533=14, ~9966=10...(6) HA LEU 72 - HB2 GLU 81 OK 26 61 - 43 - ~8533=14, ~9966=10...(6) HA MET 68 - HB3 GLU 81 poor 8 79 - 10 - 3403/3.0=1 HA MET 68 - HB2 GLU 81 lone 6 67 - 10 - 3403/3.0=1 HA ALA 104 - HD2 LYS 36 lone 4 68 - 6 - HA ALA 104 - HB3 GLU 81 lone 4 46 - 9 - ~9203=2, 3403/3.0=2, ~9203=1 HA ALA 104 - HB2 GLU 81 lone 4 38 - 9 - ~9203=2, 3403/3.0=2, ~9203=1 Peak 707 from aliabs.peaks (1.87, 1.73, 28.90 ppm; 2.86 A): 4 out of 27 assignments used, quality = 0.98: * HB2 LYS 36 + HD2 LYS 36 OK 87 100 - 87 - 3.6=49, 718/1.8=11...(44) HB3 LYS 48 + HD2 LYS 36 OK 52 100 - 52 - 718/1.8=6, 685/2.9=4...(24) HB2 LYS 48 + HD2 LYS 36 OK 50 96 - 52 - 718/1.8=6, 685/2.9=4...(24) HB2 ARG 144 + HD2 LYS 36 OK 45 100 - 46 - 4886=8, 718/1.8=5...(20) HB2 LYS 36 - HB3 GLU 81 OK 29 79 - 37 - 667=3, 3.6/722=3...(22) HB3 ARG 141 - HD2 LYS 36 OK 26 72 - 37 - 1.8/712=4, 718/1.8=3...(18) HB2 LYS 36 - HB2 GLU 81 OK 25 67 - 37 - 667=3, 3.6/722=3...(21) HB2 ARG 144 - HB3 GLU 81 OK 23 77 - 30 - 4886=5, 4886/1.8=3...(7) HB2 ARG 144 - HB2 GLU 81 OK 20 66 - 30 - 4886=4, 4886/1.8=4...(9) HB3 LYS 85 - HB3 GLU 81 OK 18 64 - 28 - ~8780=4, ~8787=3...(14) HB3 LYS 85 - HB2 GLU 81 OK 14 54 - 26 - ~8780=4, ~8787=3...(12) HB3 LYS 85 - HD2 LYS 36 poor 9 89 - 10 - 718/1.8=1 HB3 LYS 93 - HD2 LYS 36 poor 7 57 - 13 - 2.9/709=1, ~3027=1 HB3 LEU 126 - HB3 GLU 81 poor 6 46 - 14 - ~9494=2, ~9969=2...(7) HB3 LEU 126 - HB2 GLU 81 poor 5 38 - 13 - ~9494=2, ~9969=2...(7) HB3 LYS 48 - HB3 GLU 81 lone 5 79 - 6 - HB2 LYS 48 - HB3 GLU 81 lone 4 72 - 6 - HB3 LYS 48 - HB2 GLU 81 lone 4 67 - 6 - HB2 LYS 48 - HB2 GLU 81 lone 3 61 - 6 - HB3 LEU 126 - HD2 LYS 36 lone 2 68 - 2 - HG LEU 69 - HD2 LYS 36 lone 1 62 - 2 - HB3 ARG 141 - HB3 GLU 81 lone 1 50 - 3 - HB3 LYS 93 - HB3 GLU 81 lone 1 38 - 4 - HB3 ARG 141 - HB2 GLU 81 lone 1 41 - 3 - HB3 LYS 93 - HB2 GLU 81 lone 1 32 - 3 - HG LEU 69 - HB3 GLU 81 lone 0 42 - 1 - HG LEU 69 - HB2 GLU 81 lone 0 35 - 1 - Peak 708 from aliabs.peaks (2.10, 1.73, 28.90 ppm; 3.45 A): 1 out of 27 assignments used, quality = 0.99: * HB3 LYS 36 + HD2 LYS 36 OK 99 100 - 99 - 3.6=86, 679/1.8=17...(48) HG2 PRO 33 - HD2 LYS 36 OK 42 100 - 42 - 719/1.8=6, 686/2.9=4...(20) HB3 LYS 36 - HB3 GLU 81 OK 38 79 - 49 - 678=5, 3.6/722=4...(26) HB3 LYS 36 - HB2 GLU 81 OK 33 67 - 49 - 678=5, 678/1.8=4...(26) HG2 PRO 118 - HD2 LYS 36 OK 33 96 - 34 - 719/1.8=5, 697/2.9=4...(16) HG3 PRO 33 - HD2 LYS 36 OK 29 72 - 41 - 719/1.8=5, ~719=4...(21) HG2 PRO 118 - HB3 GLU 81 OK 18 72 - 25 - 1.8/2452=3, ~2445=2...(13) HG2 PRO 118 - HB2 GLU 81 OK 15 61 - 25 - 1.8/2445=3, ~2452=2...(12) HB3 GLN 25 - HD2 LYS 36 OK 13 100 - 13 - 719/1.8=2, 697/2.9=2...(6) HB3 GLU 142 - HD2 LYS 36 lone 5 98 - 5 - 719/1.8=1 HG2 GLU 122 - HD2 LYS 36 lone 3 92 - 3 - HG2 PRO 33 - HB3 GLU 81 lone 3 78 - 3 - HG2 GLU 122 - HB3 GLU 81 lone 2 67 - 3 - 4080/4.6=1 HG2 PRO 33 - HB2 GLU 81 lone 2 67 - 3 - HB3 GLU 142 - HB3 GLU 81 lone 2 74 - 3 - HG2 GLU 122 - HB2 GLU 81 lone 2 56 - 3 - 4080/4.6=1 HB2 GLU 131 - HD2 LYS 36 lone 2 62 - 3 - HB2 PRO 129 - HD2 LYS 36 lone 2 68 - 2 - HB3 GLN 25 - HB3 GLU 81 lone 1 78 - 2 - HB3 GLN 25 - HB2 GLU 81 lone 1 67 - 2 - HB3 GLU 142 - HB2 GLU 81 lone 1 63 - 2 - HG3 PRO 33 - HB3 GLU 81 lone 1 50 - 2 - HG3 PRO 33 - HB2 GLU 81 lone 1 41 - 2 - HB2 GLU 131 - HB3 GLU 81 lone 1 42 - 2 - HB2 GLU 131 - HB2 GLU 81 lone 1 35 - 2 - HB2 PRO 129 - HB3 GLU 81 lone 0 46 - 1 - HB2 PRO 129 - HB2 GLU 81 lone 0 38 - 1 - Peak 709 from aliabs.peaks (1.40, 1.73, 28.90 ppm; 2.94 A): 1 out of 24 assignments used, quality = 1.00: * HG2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 2.9=100 HG2 LYS 36 - HB3 GLU 81 OK 38 79 - 49 - 689=5, 2.9/722=4...(20) HG2 LYS 36 - HB2 GLU 81 OK 33 67 - 49 - 689=5, 2.9/722=4...(22) HG2 ARG 49 - HD2 LYS 36 OK 31 96 - 32 - 8195/5.3=6, 720/1.8=4...(13) HB2 ARG 35 - HD2 LYS 36 OK 29 100 - 29 - 4.3/6207=4, 720/1.8=4...(14) HG LEU 116 - HD2 LYS 36 OK 25 100 - 26 - 720/1.8=3, 698/2.9=3...(12) HB VAL 82 - HB3 GLU 81 OK 25 57 - 44 - ~8783=8, ~8790=7...(11) HB2 ARG 109 - HD2 LYS 36 OK 25 72 - 35 - 720/1.8=3, 2.8/3561=3...(18) HG2 ARG 49 - HB3 GLU 81 OK 19 72 - 27 - 1267/1.8=2, ~1276=2...(15) HG2 ARG 49 - HB2 GLU 81 OK 16 61 - 27 - 1.8/1276=3, 1267=2...(11) HB VAL 82 - HB2 GLU 81 OK 15 48 - 32 - ~8790=7, 2.1/11010=6...(8) HB VAL 82 - HD2 LYS 36 OK 11 81 - 14 - 2.1/11010=2, 720/1.8=2...(5) HG3 LYS 93 - HD2 LYS 36 OK 11 77 - 14 - 720/1.8=2, 698/2.9=1, 676/3.6=1 HB2 ARG 109 - HB3 GLU 81 poor 8 50 - 16 - 2.8/3561=2, 3533=1...(6) HB2 ARG 109 - HB2 GLU 81 poor 7 41 - 16 - 3533/1.8=2, ~8786=1...(4) HB2 ARG 35 - HB3 GLU 81 lone 6 77 - 8 - 10801/4.6=5, 4.3/6207=2 HB2 ARG 35 - HB2 GLU 81 lone 5 66 - 8 - 10801/4.6=5, 4.3/6207=1 HG LEU 116 - HB3 GLU 81 lone 4 78 - 5 - ~10691=1 HG LEU 116 - HB2 GLU 81 lone 3 67 - 4 - HG3 LYS 93 - HB3 GLU 81 lone 2 53 - 4 - 3056/4.6=1 HG3 LYS 93 - HB2 GLU 81 lone 2 45 - 4 - 3056/4.6=1 HG2 LYS 86 - HD2 LYS 36 lone 1 77 - 2 - HG2 LYS 86 - HB3 GLU 81 lone 0 53 - 1 - HG2 LYS 86 - HB2 GLU 81 lone 0 45 - 1 - Peak 710 from aliabs.peaks (1.58, 1.73, 28.90 ppm; 3.10 A): 1 out of 27 assignments used, quality = 1.00: * HG3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 2.9=100 HG3 LYS 36 - HB3 GLU 81 OK 42 79 - 54 - 700=5, 2.9/722=5...(25) HG3 ARG 109 - HD2 LYS 36 OK 40 98 - 41 - 721/1.8=6, 3561=5...(15) HG3 LYS 36 - HB2 GLU 81 OK 36 67 - 54 - 700=5, 2.9/722=4...(25) HD3 LYS 85 - HB3 GLU 81 OK 31 64 - 49 - ~8786=5, ~8780=5...(22) HD3 LYS 85 - HB2 GLU 81 OK 26 54 - 49 - ~8786=5, ~8780=5...(22) HB2 LEU 66 - HD2 LYS 36 OK 25 100 - 25 - 721/1.8=3, 688/2.9=3...(10) HB2 LEU 66 - HB3 GLU 81 OK 20 78 - 26 - 8778/4.0=3, 3.1/1918=3...(12) HB2 LEU 79 - HD2 LYS 36 OK 18 77 - 23 - 721/1.8=3, ~8730=2...(8) HB2 LEU 66 - HB2 GLU 81 OK 14 67 - 21 - 8778/4.0=3, 1886/1.8=2...(10) HG3 ARG 109 - HB3 GLU 81 OK 14 74 - 19 - 3561=3, ~8786=2...(9) HG3 ARG 124 - HD2 LYS 36 OK 14 100 - 14 - 721/1.8=2, 688/2.9=2, 677/3.6=1 HG3 ARG 109 - HB2 GLU 81 OK 12 63 - 19 - 3561/1.8=3, ~8786=2...(7) HD3 LYS 85 - HD2 LYS 36 OK 11 89 - 12 - 688/2.9=2, 721/1.8=2, 677/3.6=1 HB2 LEU 79 - HB2 GLU 81 poor 8 45 - 18 - 4.1/8767=6, ~8786=3...(9) HB2 LEU 79 - HB3 GLU 81 poor 8 53 - 15 - ~8786=3, ~8786=2...(9) HB2 LEU 126 - HB3 GLU 81 poor 7 42 - 18 - ~9494=2, ~9969=2...(8) HB2 LEU 126 - HB2 GLU 81 poor 6 35 - 16 - ~9494=2, ~9969=2...(8) HD3 LYS 61 - HD2 LYS 36 lone 5 77 - 6 - HD2 LYS 61 - HD2 LYS 36 lone 4 72 - 6 - HB2 LEU 126 - HD2 LYS 36 lone 2 62 - 3 - HG3 ARG 124 - HB3 GLU 81 lone 2 79 - 2 - HG3 ARG 124 - HB2 GLU 81 lone 2 67 - 2 - HD3 LYS 61 - HB3 GLU 81 lone 0 53 - 1 - HD2 LYS 61 - HB3 GLU 81 lone 0 50 - 1 - HD3 LYS 61 - HB2 GLU 81 lone 0 45 - 1 - HD2 LYS 61 - HB2 GLU 81 lone 0 41 - 1 - Peak 711 from aliabs.peaks (1.73, 1.73, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HB3 GLU 81 + HB3 GLU 81 OK 74 74 - 100 HB2 GLU 81 + HB2 GLU 81 OK 59 59 - 100 Peak 712 from aliabs.peaks (1.82, 1.73, 28.90 ppm; 2.50 A): 1 out of 24 assignments used, quality = 1.00: * HD3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 1.8=100 HD3 LYS 36 - HB3 GLU 81 OK 34 79 - 44 - 722=8, 722/1.8=5...(13) HB2 ARG 141 - HD2 LYS 36 OK 32 100 - 32 - 690/2.9=3, 701/2.9=3...(17) HD3 LYS 36 - HB2 GLU 81 OK 30 67 - 44 - 722=7, 722/1.8=5...(13) HB3 MET 68 - HD2 LYS 36 OK 19 100 - 19 - 690/2.9=2, 701/2.9=2...(6) HB2 LYS 24 - HD2 LYS 36 OK 15 96 - 16 - 11341/5.6=2, 11323/1.8=2...(7) HB VAL 80 - HB3 GLU 81 OK 14 70 - 20 - 2418/4.0=5, ~9969=3...(11) HB VAL 80 - HB2 GLU 81 OK 12 59 - 20 - 2418/4.0=5, 3.7/8767=4...(10) HB VAL 80 - HD2 LYS 36 poor 10 94 - 10 - 3.7/8767=1 HB2 MET 11 - HD2 LYS 36 lone 6 98 - 6 - HB3 LEU 72 - HD2 LYS 36 lone 6 72 - 8 - HB2 ARG 124 - HD2 LYS 36 lone 5 85 - 6 - HB3 LEU 72 - HB3 GLU 81 lone 3 50 - 5 - ~8533=1, ~9966=1 HB2 ARG 141 - HB3 GLU 81 lone 2 78 - 3 - HB2 ARG 141 - HB2 GLU 81 lone 2 67 - 4 - HB2 LYS 24 - HB3 GLU 81 lone 2 72 - 3 - HB3 LEU 72 - HB2 GLU 81 lone 2 41 - 5 - ~8533=1, ~9966=1 HB2 LYS 24 - HB2 GLU 81 lone 2 61 - 3 - HB3 MET 68 - HB3 GLU 81 lone 2 78 - 2 - 6873/4.0=1 HB3 MET 68 - HB2 GLU 81 lone 2 67 - 3 - 6873/4.0=1 HB2 MET 11 - HB3 GLU 81 lone 1 74 - 1 - HB2 MET 11 - HB2 GLU 81 lone 1 63 - 1 - HB2 ARG 124 - HB3 GLU 81 lone 1 61 - 1 - HB2 ARG 124 - HB2 GLU 81 lone 1 51 - 1 - Peak 713 from aliabs.peaks (3.02, 1.73, 28.90 ppm; 3.44 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE2 LYS 36 - HB3 GLU 81 OK 41 79 - 52 - 3.0/722=5, 733=4...(35) HE3 LYS 36 - HB3 GLU 81 OK 41 78 - 52 - 3.0/722=5, 744=4...(35) HE2 LYS 36 - HB2 GLU 81 OK 35 67 - 52 - 3.0/722=5, 733=4...(35) HE3 LYS 36 - HB2 GLU 81 OK 35 67 - 52 - 3.0/722=5, 744=4...(35) HB2 PHE 67 - HD2 LYS 36 OK 15 100 - 15 - 724/1.8=3, 691/2.9=2...(7) HB2 PHE 67 - HB3 GLU 81 lone 3 78 - 4 - 3.7/6650=2 HB2 PHE 67 - HB2 GLU 81 lone 2 67 - 3 - Peak 714 from aliabs.peaks (3.02, 1.73, 28.90 ppm; 3.44 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 36 - HB3 GLU 81 OK 41 79 - 52 - 3.0/722=5, 744=4...(35) HE2 LYS 36 - HB3 GLU 81 OK 41 78 - 52 - 3.0/722=5, 733=4...(35) HE3 LYS 36 - HB2 GLU 81 OK 35 67 - 52 - 3.0/722=5, 744=4...(35) HE2 LYS 36 - HB2 GLU 81 OK 35 67 - 52 - 3.0/722=5, 733=4...(35) HB2 PHE 67 - HD2 LYS 36 OK 15 100 - 15 - 724/1.8=3, 691/2.9=2...(7) HB2 PHE 67 - HB3 GLU 81 lone 3 77 - 4 - 3.7/6650=2 HB2 PHE 67 - HB2 GLU 81 lone 2 66 - 3 - Peak 715 from aliabs.peaks (7.21, 1.73, 28.90 ppm; 5.51 A): 4 out of 6 assignments used, quality = 0.99: * H GLU 37 + HD2 LYS 36 OK 89 100 - 89 - 6223/1.8=25, 704/2.9=23...(13) H GLU 37 + HB3 GLU 81 OK 60 79 - 76 - 6222=11, 6222/1.8=10...(27) QD PHE 45 + HD2 LYS 36 OK 52 100 - 52 - 704/2.9=15, 657/5.3=10...(9) H GLU 37 + HB2 GLU 81 OK 50 67 - 75 - 6222/1.8=11, 6222=10...(27) QD PHE 45 - HB3 GLU 81 OK 11 78 - 14 - ~8769=2, ~8771=2...(6) QD PHE 45 - HB2 GLU 81 poor 9 67 - 14 - ~8769=2, ~8771=2...(5) Peak 717 from aliabs.peaks (3.86, 1.82, 28.90 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 5.3=100 HD2 PRO 118 + HD3 LYS 36 OK 80 98 - 82 - 684/2.9=14, 695/2.9=13...(26) HA MET 68 + HD3 LYS 36 OK 76 100 - 76 - 695/2.9=11, 684/2.9=11...(28) HA LEU 72 - HD3 LYS 36 OK 41 96 - 43 - 684/2.9=6, 695/2.9=5...(14) HA ALA 104 - HD3 LYS 36 lone 5 68 - 7 - Peak 718 from aliabs.peaks (1.87, 1.82, 28.90 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.98: * HB2 LYS 36 + HD3 LYS 36 OK 89 100 - 89 - 3.6=53, 1.8/679=13...(45) HB3 LYS 48 + HD3 LYS 36 OK 53 100 - 53 - 668=6, 1.8/668=5...(24) HB2 LYS 48 + HD3 LYS 36 OK 51 96 - 53 - 668=6, 1.8/668=5...(26) HB2 ARG 144 - HD3 LYS 36 OK 42 100 - 43 - 4886/1.8=6, 1.8/722=5...(21) HB3 ARG 141 - HD3 LYS 36 OK 30 72 - 41 - 2.8/4806=4, 4788=3...(20) HB3 LYS 85 - HD3 LYS 36 poor 9 89 - 10 - HB3 LYS 93 - HD3 LYS 36 poor 8 57 - 13 - 2.9/720=2, ~3027=1 HG LEU 69 - HD3 LYS 36 lone 2 62 - 3 - HB3 LEU 126 - HD3 LYS 36 lone 2 68 - 3 - Peak 719 from aliabs.peaks (2.10, 1.82, 28.90 ppm; 3.65 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.6=100 HG2 PRO 33 - HD3 LYS 36 OK 44 100 - 44 - 686/2.9=5, 697/2.9=5...(19) HG2 PRO 118 - HD3 LYS 36 OK 39 96 - 41 - 697/2.9=5, 686/2.9=4...(20) HG3 PRO 33 - HD3 LYS 36 OK 31 72 - 43 - 686/2.9=4, 3.8/9790=4...(22) HB3 GLN 25 - HD3 LYS 36 OK 14 100 - 14 - 697/2.9=2, 686/2.9=2...(6) HB3 GLU 142 - HD3 LYS 36 lone 8 98 - 8 - 4.0/7851=2 HG2 GLU 122 - HD3 LYS 36 lone 4 92 - 4 - HB2 GLU 131 - HD3 LYS 36 lone 3 62 - 4 - HB2 PRO 129 - HD3 LYS 36 lone 2 68 - 3 - Peak 720 from aliabs.peaks (1.40, 1.82, 28.90 ppm; 3.31 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 2.9=100 HB2 ARG 35 - HD3 LYS 36 OK 37 100 - 37 - 4.3/6208=9, 11623/5.3=5...(17) HG2 ARG 49 - HD3 LYS 36 OK 37 96 - 39 - 8195/5.3=8, 698/2.9=4...(20) HG LEU 116 - HD3 LYS 36 OK 31 100 - 31 - 698/2.9=4, ~10691=4...(18) HB2 ARG 109 - HD3 LYS 36 OK 29 72 - 41 - 2.8/721=5, 1.8/722=3...(22) HB VAL 82 - HD3 LYS 36 OK 17 81 - 21 - ~8783=3, ~8783=3...(9) HG3 LYS 93 - HD3 LYS 36 OK 14 77 - 18 - 698/2.9=2, 676/3.6=2, 709/1.8=2 HG2 LYS 86 - HD3 LYS 36 lone 1 77 - 2 - Peak 721 from aliabs.peaks (1.58, 1.82, 28.90 ppm; 3.39 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 2.9=100 HG3 ARG 109 - HD3 LYS 36 OK 44 98 - 46 - 3561/1.8=6, 688/2.9=5...(16) HB2 LEU 66 - HD3 LYS 36 OK 25 100 - 25 - 688/2.9=3, 710/1.8=2...(13) HB2 LEU 79 - HD3 LYS 36 OK 22 77 - 29 - 4.1/6863=3, ~8730=3...(15) HG3 ARG 124 - HD3 LYS 36 OK 17 100 - 16 - 4233=2, 688/2.9=2...(4) HD3 LYS 85 - HD3 LYS 36 OK 12 89 - 14 - 688/2.9=2, 677/3.6=2 HD3 LYS 61 - HD3 LYS 36 lone 5 77 - 7 - HD2 LYS 61 - HD3 LYS 36 lone 5 72 - 6 - HB2 LEU 126 - HD3 LYS 36 lone 2 62 - 4 - Peak 722 from aliabs.peaks (1.73, 1.82, 28.90 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HD2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 GLU 81 - HD3 LYS 36 OK 41 98 - 42 - 712=6, 1.8/712=3...(13) HB2 GLU 81 - HD3 LYS 36 OK 40 94 - 42 - 712=5, 1.8/712=4...(13) HB3 ARG 144 - HD3 LYS 36 OK 35 100 - 35 - 1.8/718=4, ~4886=2...(18) HB3 ARG 109 - HD3 LYS 36 OK 20 85 - 23 - 2.8/721=3, 1.8/720=2...(7) HB2 ARG 49 - HD3 LYS 36 OK 15 89 - 17 - 3.0/720=2, 1251/2.9=1...(6) HB2 LYS 85 - HD3 LYS 36 lone 6 72 - 8 - HG3 ARG 140 - HD3 LYS 36 lone 4 92 - 4 - HG3 ARG 89 - HD3 LYS 36 lone 3 94 - 3 - HB ILE 58 - HD3 LYS 36 lone 2 100 - 2 - Peak 723 from aliabs.peaks (1.82, 1.82, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 Peak 724 from aliabs.peaks (3.02, 1.82, 28.90 ppm; 3.41 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 PHE 67 - HD3 LYS 36 OK 16 100 - 16 - 8051/10800=2, 691/2.9=2...(9) Peak 725 from aliabs.peaks (3.02, 1.82, 28.90 ppm; 3.41 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 PHE 67 - HD3 LYS 36 OK 16 100 - 16 - 8051/10800=2, 691/2.9=2...(9) Peak 728 from aliabs.peaks (3.86, 3.02, 42.13 ppm; 4.15 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 36 + HE2 LYS 36 OK 96 100 - 96 - 717/3.0=27, 6.4=27...(43) HA LYS 36 + HE3 LYS 36 OK 96 100 - 96 - 717/3.0=27, 6.4=27...(43) HD2 PRO 118 + HE2 LYS 36 OK 46 98 - 47 - 684/3.9=6, 695/3.9=6...(21) HD2 PRO 118 + HE3 LYS 36 OK 46 98 - 47 - 684/3.9=6, 695/3.9=6...(21) HA MET 68 - HE2 LYS 36 OK 36 100 - 36 - 695/3.9=5, 684/3.9=5...(19) HA MET 68 - HE3 LYS 36 OK 36 100 - 36 - 695/3.9=5, 684/3.9=5...(19) HA LEU 72 - HE2 LYS 36 OK 17 96 - 18 - 684/3.9=2, 695/3.9=2...(6) HA LEU 72 - HE3 LYS 36 OK 17 96 - 18 - 684/3.9=2, 695/3.9=2...(6) HA ALA 104 - HE2 LYS 36 lone 2 68 - 3 - HA ALA 104 - HE3 LYS 36 lone 2 67 - 3 - Peak 730 from aliabs.peaks (2.10, 3.02, 42.13 ppm; 3.95 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 36 + HE2 LYS 36 OK 99 100 - 99 - 4.8=58, 679/3.0=16...(49) HB3 LYS 36 + HE3 LYS 36 OK 99 100 - 99 - 4.8=58, 679/3.0=16...(49) HG2 PRO 33 + HE3 LYS 36 OK 45 100 - 45 - 719/3.0=6, 2.3/10617=5...(19) HG2 PRO 33 + HE2 LYS 36 OK 45 100 - 45 - 719/3.0=6, 2.3/10617=5...(19) HG2 PRO 118 - HE2 LYS 36 OK 39 96 - 41 - 719/3.0=5, 697/3.9=4...(18) HG2 PRO 118 - HE3 LYS 36 OK 39 96 - 41 - 719/3.0=5, 697/3.9=4...(18) HG3 PRO 33 - HE2 LYS 36 OK 30 72 - 42 - 719/3.0=5, 2.3/10617=5...(19) HG3 PRO 33 - HE3 LYS 36 OK 30 72 - 42 - 2.3/10617=5, 719/3.0=5...(19) HB3 GLN 25 - HE2 LYS 36 OK 14 100 - 14 - 697/3.9=2, 686/3.9=2...(7) HB3 GLN 25 - HE3 LYS 36 OK 14 100 - 14 - 697/3.9=2, 686/3.9=2...(7) HB3 GLU 142 - HE2 LYS 36 lone 5 98 - 5 - 719/3.0=1 HB3 GLU 142 - HE3 LYS 36 lone 5 98 - 5 - 719/3.0=1 HG2 GLU 122 - HE2 LYS 36 lone 3 92 - 3 - HG2 GLU 122 - HE3 LYS 36 lone 3 91 - 3 - HB2 GLU 131 - HE2 LYS 36 lone 2 62 - 3 - HB2 GLU 131 - HE3 LYS 36 lone 2 62 - 3 - HB2 PRO 129 - HE2 LYS 36 lone 2 68 - 2 - HB2 PRO 129 - HE3 LYS 36 lone 2 67 - 2 - Peak 731 from aliabs.peaks (1.40, 3.02, 42.13 ppm; 3.26 A): 2 out of 16 assignments used, quality = 1.00: * HG2 LYS 36 + HE2 LYS 36 OK 94 100 - 94 - 3.9=59, 692/1.8=13...(44) HG2 LYS 36 + HE3 LYS 36 OK 94 100 - 94 - 3.9=59, 691/1.8=13...(44) HB2 ARG 35 - HE2 LYS 36 OK 28 100 - 28 - 4.3/6209=5, 11623/6.4=4...(9) HB2 ARG 35 - HE3 LYS 36 OK 28 99 - 28 - 4.3/6209=5, 11623/6.4=4...(9) HG2 ARG 49 - HE2 LYS 36 OK 25 96 - 26 - 8195/6.4=5, 720/3.0=3...(7) HG2 ARG 49 - HE3 LYS 36 OK 24 96 - 25 - 8195/6.4=5, 720/3.0=3...(7) HB2 ARG 109 - HE2 LYS 36 OK 20 72 - 27 - 720/3.0=3, 2.8/732=2...(13) HB2 ARG 109 - HE3 LYS 36 OK 20 72 - 27 - 720/3.0=3, 2.8/743=2...(13) HG LEU 116 - HE2 LYS 36 OK 18 100 - 18 - 720/3.0=3, 698/3.9=3...(7) HG LEU 116 - HE3 LYS 36 OK 18 100 - 18 - 720/3.0=3, 698/3.9=3...(7) HB VAL 82 - HE2 LYS 36 OK 10 81 - 12 - ~8783=2, ~8783=2...(5) HB VAL 82 - HE3 LYS 36 OK 10 81 - 12 - ~8783=2, ~8783=2...(5) HG3 LYS 93 - HE2 LYS 36 lone 6 77 - 8 - 720/3.0=2, 698/3.9=1...(4) HG3 LYS 93 - HE3 LYS 36 lone 6 77 - 8 - 720/3.0=2, 698/3.9=1...(4) HG2 LYS 86 - HE2 LYS 36 lone 1 77 - 2 - HG2 LYS 86 - HE3 LYS 36 lone 1 77 - 2 - Peak 732 from aliabs.peaks (1.58, 3.02, 42.13 ppm; 3.28 A): 2 out of 18 assignments used, quality = 1.00: * HG3 LYS 36 + HE2 LYS 36 OK 95 100 - 95 - 3.9=60, 1.8/691=13...(44) HG3 LYS 36 + HE3 LYS 36 OK 95 100 - 95 - 3.9=60, 1.8/691=13...(44) HG3 ARG 109 - HE2 LYS 36 OK 29 98 - 30 - 721/3.0=5, 3561/3.0=4...(14) HG3 ARG 109 - HE3 LYS 36 OK 29 98 - 30 - 721/3.0=5, 3561/3.0=4...(14) HB2 LEU 79 - HE2 LYS 36 OK 15 77 - 19 - 3.1/8730=5, ~8730=4...(8) HB2 LEU 79 - HE3 LYS 36 OK 15 77 - 19 - 3.1/8730=5, ~8730=4...(8) HB2 LEU 66 - HE2 LYS 36 OK 14 100 - 14 - 721/3.0=3, 688/3.9=2...(4) HB2 LEU 66 - HE3 LYS 36 OK 14 100 - 14 - 721/3.0=3, 688/3.9=2...(4) HG3 ARG 124 - HE2 LYS 36 lone 9 100 - 9 - 721/3.0=2, 688/3.9=1 HG3 ARG 124 - HE3 LYS 36 lone 9 100 - 9 - 721/3.0=2, 688/3.9=1 HD3 LYS 85 - HE2 LYS 36 lone 6 89 - 7 - 688/3.9=1, 721/3.0=1, 677/4.8=1 HD3 LYS 85 - HE3 LYS 36 lone 6 88 - 7 - 688/3.9=1, 721/3.0=1, 677/4.8=1 HD3 LYS 61 - HE2 LYS 36 lone 3 77 - 4 - HD3 LYS 61 - HE3 LYS 36 lone 3 77 - 4 - HD2 LYS 61 - HE2 LYS 36 lone 3 72 - 4 - HD2 LYS 61 - HE3 LYS 36 lone 3 72 - 4 - HB2 LEU 126 - HE2 LYS 36 lone 1 62 - 2 - HB2 LEU 126 - HE3 LYS 36 lone 1 62 - 2 - Peak 733 from aliabs.peaks (1.73, 3.02, 42.13 ppm; 2.98 A): 2 out of 20 assignments used, quality = 1.00: * HD2 LYS 36 + HE2 LYS 36 OK 99 100 - 99 - 3.0=99 HD2 LYS 36 + HE3 LYS 36 OK 99 100 - 99 - 3.0=99 HB3 GLU 81 - HE2 LYS 36 OK 40 98 - 42 - 722/3.0=4, 713=4...(16) HB3 GLU 81 - HE3 LYS 36 OK 40 98 - 42 - 722/3.0=4, 714=4...(16) HB2 GLU 81 - HE2 LYS 36 OK 39 94 - 42 - 722/3.0=4, 713=4...(15) HB2 GLU 81 - HE3 LYS 36 OK 39 94 - 42 - 722/3.0=4, 714=4...(15) HB3 ARG 144 - HE2 LYS 36 OK 31 100 - 31 - 722/3.0=4, 689/3.9=2...(14) HB3 ARG 144 - HE3 LYS 36 OK 31 100 - 31 - 722/3.0=4, 689/3.9=2...(14) HB3 ARG 109 - HE2 LYS 36 OK 20 85 - 24 - 722/3.0=2, 2.8/732=2...(9) HB3 ARG 109 - HE3 LYS 36 OK 20 85 - 24 - 722/3.0=2, 2.8/743=2...(9) HB2 ARG 49 - HE2 LYS 36 OK 15 89 - 16 - 1251/3.9=2, 722/3.0=2...(7) HB2 ARG 49 - HE3 LYS 36 OK 14 88 - 16 - 1251/3.9=2, 722/3.0=2...(7) HB2 LYS 85 - HE2 LYS 36 lone 4 72 - 6 - HB2 LYS 85 - HE3 LYS 36 lone 4 72 - 6 - HG3 ARG 140 - HE2 LYS 36 lone 3 92 - 3 - HG3 ARG 140 - HE3 LYS 36 lone 3 91 - 3 - HG3 ARG 89 - HE2 LYS 36 lone 3 94 - 3 - HG3 ARG 89 - HE3 LYS 36 lone 3 94 - 3 - HB ILE 58 - HE2 LYS 36 lone 2 100 - 2 - HB ILE 58 - HE3 LYS 36 lone 2 100 - 2 - Peak 734 from aliabs.peaks (1.82, 3.02, 42.13 ppm; 3.03 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 ARG 141 - HE2 LYS 36 OK 30 100 - 31 - 690/3.9=4, 712/3.0=3...(13) HB2 ARG 141 - HE3 LYS 36 OK 30 100 - 31 - 690/3.9=4, 712/3.0=3...(13) HB3 MET 68 - HE2 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(8) HB3 MET 68 - HE3 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(8) HB2 LYS 24 - HE3 LYS 36 OK 20 96 - 21 - ~10901=5, 11341/6.7=3...(9) HB2 LYS 24 - HE2 LYS 36 OK 18 96 - 18 - 3.0/10901=4, 11341/6.7=3...(8) HB VAL 80 - HE2 LYS 36 lone 9 94 - 10 - HB VAL 80 - HE3 LYS 36 lone 9 94 - 10 - HB2 MET 11 - HE3 LYS 36 lone 9 98 - 9 - 4.2/9762=2 HB2 MET 11 - HE2 LYS 36 lone 9 98 - 9 - 4.2/9762=2 HB3 LEU 72 - HE2 LYS 36 poor 8 72 - 10 - HB3 LEU 72 - HE3 LYS 36 poor 7 72 - 10 - HB2 ARG 124 - HE2 LYS 36 lone 6 85 - 6 - HB2 ARG 124 - HE3 LYS 36 lone 5 85 - 6 - Peak 735 from aliabs.peaks (3.02, 3.02, 42.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 Peak 736 from aliabs.peaks (3.02, 3.02, 42.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 Reference assignment not found: HE3 LYS 36 - HE2 LYS 36 Peak 739 from aliabs.peaks (3.86, 3.02, 42.13 ppm; 4.15 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 36 + HE3 LYS 36 OK 96 100 - 96 - 717/3.0=27, 6.4=27...(43) HA LYS 36 + HE2 LYS 36 OK 96 100 - 96 - 717/3.0=27, 6.4=27...(43) HD2 PRO 118 + HE3 LYS 36 OK 46 98 - 47 - 684/3.9=6, 695/3.9=6...(21) HD2 PRO 118 + HE2 LYS 36 OK 46 98 - 47 - 684/3.9=6, 695/3.9=6...(21) HA MET 68 - HE2 LYS 36 OK 36 100 - 36 - 695/3.9=5, 684/3.9=5...(19) HA MET 68 - HE3 LYS 36 OK 36 100 - 36 - 695/3.9=5, 684/3.9=5...(19) HA LEU 72 - HE3 LYS 36 OK 17 96 - 18 - 684/3.9=2, 695/3.9=2...(6) HA LEU 72 - HE2 LYS 36 OK 17 96 - 18 - 684/3.9=2, 695/3.9=2...(6) HA ALA 104 - HE3 LYS 36 lone 2 68 - 3 - HA ALA 104 - HE2 LYS 36 lone 2 67 - 3 - Peak 741 from aliabs.peaks (2.10, 3.02, 42.13 ppm; 3.95 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 99 100 - 99 - 4.8=58, 679/3.0=16...(49) HB3 LYS 36 + HE2 LYS 36 OK 99 100 - 99 - 4.8=58, 679/3.0=16...(49) HG2 PRO 33 + HE3 LYS 36 OK 45 100 - 45 - 719/3.0=6, 2.3/10617=5...(19) HG2 PRO 33 - HE2 LYS 36 OK 45 100 - 45 - 719/3.0=6, 2.3/10617=5...(19) HG2 PRO 118 - HE3 LYS 36 OK 39 96 - 41 - 719/3.0=5, 697/3.9=4...(18) HG2 PRO 118 - HE2 LYS 36 OK 39 96 - 41 - 719/3.0=5, 697/3.9=4...(18) HG3 PRO 33 - HE3 LYS 36 OK 30 72 - 42 - 2.3/10617=5, 719/3.0=5...(19) HG3 PRO 33 - HE2 LYS 36 OK 30 72 - 42 - 719/3.0=5, 2.3/10617=5...(19) HB3 GLN 25 - HE3 LYS 36 OK 14 100 - 14 - 697/3.9=2, 686/3.9=2...(7) HB3 GLN 25 - HE2 LYS 36 OK 14 100 - 14 - 697/3.9=2, 686/3.9=2...(7) HB3 GLU 142 - HE3 LYS 36 lone 5 98 - 5 - 719/3.0=1 HB3 GLU 142 - HE2 LYS 36 lone 5 98 - 5 - 719/3.0=1 HG2 GLU 122 - HE3 LYS 36 lone 3 92 - 3 - HG2 GLU 122 - HE2 LYS 36 lone 3 91 - 3 - HB2 GLU 131 - HE3 LYS 36 lone 2 62 - 3 - HB2 GLU 131 - HE2 LYS 36 lone 2 62 - 3 - HB2 PRO 129 - HE3 LYS 36 lone 2 68 - 2 - HB2 PRO 129 - HE2 LYS 36 lone 2 67 - 2 - Peak 742 from aliabs.peaks (1.40, 3.02, 42.13 ppm; 3.26 A): 2 out of 16 assignments used, quality = 1.00: * HG2 LYS 36 + HE3 LYS 36 OK 94 100 - 94 - 3.9=59, 691/1.8=13...(44) HG2 LYS 36 + HE2 LYS 36 OK 94 100 - 94 - 3.9=59, 692/1.8=13...(44) HB2 ARG 35 - HE2 LYS 36 OK 28 99 - 28 - 4.3/6210=5, 11623/6.4=4...(9) HB2 ARG 35 - HE3 LYS 36 OK 28 100 - 28 - 4.3/6210=5, 11623/6.4=4...(9) HG2 ARG 49 - HE3 LYS 36 OK 25 96 - 25 - 8195/6.4=5, 720/3.0=3...(7) HG2 ARG 49 - HE2 LYS 36 OK 24 96 - 26 - 8195/6.4=5, 720/3.0=3...(7) HB2 ARG 109 - HE3 LYS 36 OK 20 72 - 27 - 720/3.0=3, 2.8/743=2...(13) HB2 ARG 109 - HE2 LYS 36 OK 20 72 - 27 - 720/3.0=3, 2.8/743=2...(13) HG LEU 116 - HE3 LYS 36 OK 18 100 - 18 - 720/3.0=3, 698/3.9=3...(7) HG LEU 116 - HE2 LYS 36 OK 18 100 - 18 - 720/3.0=3, 698/3.9=3...(7) HB VAL 82 - HE3 LYS 36 OK 10 81 - 12 - ~8783=2, ~8783=2...(5) HB VAL 82 - HE2 LYS 36 OK 10 81 - 12 - ~8783=2, ~8783=2...(5) HG3 LYS 93 - HE3 LYS 36 lone 6 77 - 8 - 720/3.0=2, 698/3.9=1...(4) HG3 LYS 93 - HE2 LYS 36 lone 6 77 - 8 - 720/3.0=2, 698/3.9=1...(4) HG2 LYS 86 - HE3 LYS 36 lone 1 77 - 2 - HG2 LYS 86 - HE2 LYS 36 lone 1 77 - 2 - Peak 743 from aliabs.peaks (1.58, 3.02, 42.13 ppm; 3.28 A): 2 out of 18 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 95 100 - 95 - 3.9=60, 1.8/692=13...(44) HG3 LYS 36 + HE2 LYS 36 OK 95 100 - 95 - 3.9=60, 1.8/692=13...(44) HG3 ARG 109 - HE3 LYS 36 OK 29 98 - 30 - 721/3.0=5, 3561/3.0=4...(14) HG3 ARG 109 - HE2 LYS 36 OK 29 98 - 30 - 721/3.0=5, 3561/3.0=4...(14) HB2 LEU 79 - HE3 LYS 36 OK 14 77 - 19 - 3.1/8730=5, ~8730=4...(8) HB2 LEU 66 - HE3 LYS 36 OK 14 100 - 14 - 721/3.0=3, 688/3.9=2...(4) HB2 LEU 66 - HE2 LYS 36 OK 14 100 - 14 - 721/3.0=3, 688/3.9=2...(4) HB2 LEU 79 - HE2 LYS 36 OK 14 77 - 19 - 3.1/8730=5, ~8730=4...(8) HG3 ARG 124 - HE2 LYS 36 lone 9 100 - 9 - 721/3.0=2, 688/3.9=1 HG3 ARG 124 - HE3 LYS 36 lone 9 100 - 9 - 721/3.0=2, 688/3.9=1 HD3 LYS 85 - HE3 LYS 36 lone 6 89 - 7 - 688/3.9=1, 721/3.0=1, 677/4.8=1 HD3 LYS 85 - HE2 LYS 36 lone 6 88 - 7 - 688/3.9=1, 721/3.0=1, 677/4.8=1 HD3 LYS 61 - HE3 LYS 36 lone 3 77 - 4 - HD3 LYS 61 - HE2 LYS 36 lone 3 77 - 4 - HD2 LYS 61 - HE3 LYS 36 lone 3 72 - 4 - HD2 LYS 61 - HE2 LYS 36 lone 3 72 - 4 - HB2 LEU 126 - HE3 LYS 36 lone 1 62 - 2 - HB2 LEU 126 - HE2 LYS 36 lone 1 62 - 2 - Peak 744 from aliabs.peaks (1.73, 3.02, 42.13 ppm; 2.98 A): 2 out of 20 assignments used, quality = 1.00: * HD2 LYS 36 + HE3 LYS 36 OK 99 100 - 99 - 3.0=99 HD2 LYS 36 + HE2 LYS 36 OK 99 100 - 99 - 3.0=99 HB3 GLU 81 - HE3 LYS 36 OK 40 98 - 42 - 722/3.0=4, 714=4...(16) HB3 GLU 81 - HE2 LYS 36 OK 40 98 - 42 - 722/3.0=4, 713=4...(16) HB2 GLU 81 - HE3 LYS 36 OK 39 94 - 42 - 722/3.0=4, 714=4...(15) HB2 GLU 81 - HE2 LYS 36 OK 39 94 - 42 - 722/3.0=4, 713=4...(15) HB3 ARG 144 - HE3 LYS 36 OK 31 100 - 31 - 722/3.0=4, 689/3.9=2...(14) HB3 ARG 144 - HE2 LYS 36 OK 31 100 - 31 - 722/3.0=4, 689/3.9=2...(14) HB3 ARG 109 - HE3 LYS 36 OK 20 85 - 24 - 722/3.0=2, 2.8/743=2...(9) HB3 ARG 109 - HE2 LYS 36 OK 20 85 - 24 - 722/3.0=2, 2.8/743=2...(9) HB2 ARG 49 - HE3 LYS 36 OK 15 89 - 16 - 1251/3.9=2, 722/3.0=2...(7) HB2 ARG 49 - HE2 LYS 36 OK 14 88 - 16 - 1251/3.9=2, 722/3.0=2...(7) HB2 LYS 85 - HE3 LYS 36 lone 4 72 - 6 - HB2 LYS 85 - HE2 LYS 36 lone 4 72 - 6 - HG3 ARG 140 - HE3 LYS 36 lone 3 92 - 3 - HG3 ARG 140 - HE2 LYS 36 lone 3 91 - 3 - HG3 ARG 89 - HE3 LYS 36 lone 3 94 - 3 - HG3 ARG 89 - HE2 LYS 36 lone 3 94 - 3 - HB ILE 58 - HE3 LYS 36 lone 2 100 - 2 - HB ILE 58 - HE2 LYS 36 lone 2 100 - 2 - Peak 745 from aliabs.peaks (1.82, 3.02, 42.13 ppm; 3.03 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 - 100 - 3.0=100 HB2 ARG 141 - HE3 LYS 36 OK 30 100 - 31 - 690/3.9=4, 712/3.0=3...(13) HB2 ARG 141 - HE2 LYS 36 OK 30 100 - 31 - 690/3.9=4, 712/3.0=3...(13) HB3 MET 68 - HE3 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(8) HB3 MET 68 - HE2 LYS 36 OK 22 100 - 22 - 690/3.9=3, 701/3.9=2...(8) HB2 LYS 24 - HE3 LYS 36 OK 20 96 - 21 - ~10901=5, 11341/6.7=3...(9) HB2 LYS 24 - HE2 LYS 36 OK 17 96 - 18 - 3.0/10901=3, 11341/6.7=3...(8) HB VAL 80 - HE3 LYS 36 lone 9 94 - 10 - HB VAL 80 - HE2 LYS 36 lone 9 94 - 10 - HB2 MET 11 - HE3 LYS 36 lone 9 98 - 9 - 4.2/9762=2 HB2 MET 11 - HE2 LYS 36 lone 9 98 - 9 - 4.2/9762=2 HB3 LEU 72 - HE3 LYS 36 poor 8 72 - 10 - HB3 LEU 72 - HE2 LYS 36 poor 7 72 - 10 - HB2 ARG 124 - HE3 LYS 36 lone 6 85 - 6 - HB2 ARG 124 - HE2 LYS 36 lone 5 85 - 6 - Peak 746 from aliabs.peaks (3.02, 3.02, 42.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 Reference assignment not found: HE2 LYS 36 - HE3 LYS 36 Peak 747 from aliabs.peaks (3.02, 3.02, 42.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 Peak 750 from aliabs.peaks (4.03, 4.03, 58.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HA GLU 37 OK 100 100 - 100 HA GLU 81 + HA GLU 81 OK 72 72 - 100 Peak 751 from aliabs.peaks (2.03, 4.03, 58.63 ppm; 2.88 A): 2 out of 12 assignments used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 95 100 - 95 - 3.0=87, 3.0/753=14...(21) HB3 GLU 37 + HA GLU 37 OK 95 100 - 95 - 3.0=87, 3.0/753=14...(21) HB2 GLU 37 - HA GLU 81 OK 19 73 - 25 - 3.0/774=4, 760=4...(9) HB3 GLU 37 - HA GLU 81 OK 18 73 - 25 - 3.0/774=4, 767=4...(9) HB3 LYS 34 - HA GLU 37 OK 14 98 - 14 - 782/3.8=2, ~10889=2...(8) HB2 GLU 90 - HA GLU 37 OK 13 89 - 14 - 2920/3.0=2, 2920/3.0=2...(5) HG3 GLU 122 - HA GLU 37 lone 6 72 - 8 - HB2 PRO 33 - HA GLU 37 lone 5 72 - 7 - ~10764=2, 4.3/2438=1, ~6219=1 HB3 LYS 34 - HA GLU 81 lone 4 69 - 6 - ~11174=4 HB2 GLU 90 - HA GLU 81 lone 1 59 - 2 - HG3 GLU 122 - HA GLU 81 lone 1 46 - 2 - HB2 PRO 33 - HA GLU 81 lone 1 46 - 2 - Peak 752 from aliabs.peaks (2.02, 4.03, 58.63 ppm; 2.88 A): 2 out of 12 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 95 100 - 95 - 3.0=87, 3.0/753=14...(21) HB2 GLU 37 + HA GLU 37 OK 95 100 - 95 - 3.0=87, 3.0/753=14...(21) HB3 GLU 37 - HA GLU 81 OK 19 73 - 25 - 3.0/774=4, 767=4...(9) HB2 GLU 37 - HA GLU 81 OK 18 73 - 25 - 3.0/774=4, 760=4...(9) HB2 GLU 90 - HA GLU 37 OK 14 94 - 15 - 2920/3.0=2, 2920/3.0=2...(5) HB3 LYS 34 - HA GLU 37 OK 13 94 - 14 - 782/3.8=2, ~10889=2...(8) HG3 GLU 122 - HA GLU 37 lone 7 81 - 8 - HB2 PRO 33 - HA GLU 37 lone 5 62 - 7 - ~10764=2, 4.3/2438=1, ~6219=1 HB3 LYS 34 - HA GLU 81 lone 4 64 - 6 - ~11174=4 HG3 GLU 122 - HA GLU 81 lone 1 53 - 2 - HB2 GLU 90 - HA GLU 81 lone 1 64 - 2 - HB2 PRO 33 - HA GLU 81 lone 1 39 - 2 - Peak 753 from aliabs.peaks (2.24, 4.03, 58.63 ppm; 3.32 A): 2 out of 8 assignments used, quality = 0.94: * HG2 GLU 37 + HA GLU 37 OK 92 100 - 92 - 3.8=65, 1.8/754=23...(16) HG2 GLU 37 + HA GLU 81 OK 21 73 - 29 - 774=9, 1.8/781=6...(8) HB2 GLU 28 - HA GLU 37 poor 10 85 - 11 - 1.8/9776=3, 3.0/8053=2...(4) HB3 PRO 12 - HA GLU 37 lone 8 100 - 8 - 784/3.8=3, 763/3.0=2, 770/3.0=2 HB2 GLU 28 - HA GLU 81 poor 7 56 - 12 - 1.8/9776=4, ~11300=4...(4) HG2 MET 113 - HA GLU 37 lone 1 62 - 2 - HB3 PRO 12 - HA GLU 81 lone 1 72 - 1 - HG2 MET 113 - HA GLU 81 lone 0 39 - 1 - Peak 754 from aliabs.peaks (2.38, 4.03, 58.63 ppm; 3.37 A): 1 out of 8 assignments used, quality = 0.93: * HG3 GLU 37 + HA GLU 37 OK 93 100 - 93 - 3.8=68, 1.8/753=27...(17) HG3 GLU 37 - HA GLU 81 OK 20 73 - 27 - 781=7, 1.8/774=7...(7) HG3 MET 11 - HA GLU 37 OK 18 85 - 21 - 41/3.0=3, 778/3.8=3...(9) HG2 GLN 25 - HA GLU 37 lone 5 81 - 6 - 6230/2.8=1 HG2 MET 59 - HA GLU 37 lone 4 62 - 7 - 3.4/10401=1 HG3 MET 11 - HA GLU 81 lone 1 56 - 3 - HG2 GLN 25 - HA GLU 81 lone 1 53 - 2 - HG2 MET 59 - HA GLU 81 lone 1 39 - 2 - Peak 755 from aliabs.peaks (7.87, 4.03, 58.63 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 38 + HA GLU 37 OK 100 100 - 100 - 3.6=100 H PHE 38 - HA GLU 81 OK 27 73 - 37 - 3.6/6226=9, 6238=8...(10) Peak 756 from aliabs.peaks (8.57, 4.03, 58.63 ppm; 6.04 A): 2 out of 2 assignments used, quality = 0.93: * H ASP 40 + HA GLU 37 OK 89 100 - 90 - 6274/3.6=41, 6272/4.9=28...(10) H ASP 40 + HA GLU 81 OK 37 73 - 50 - 6273=10, 9966/3.7=7...(12) Peak 757 from aliabs.peaks (2.83, 4.03, 58.63 ppm; 3.90 A): 4 out of 8 assignments used, quality = 0.68: * HB2 ASP 40 + HA GLU 37 OK 46 100 - 47 - 1.8/758=16, 3.3/6273=13...(7) HB2 ASN 139 + HA GLU 81 OK 19 73 - 26 - 3.5/9744=7, 9741/3.0=3...(7) HB2 ASP 40 + HA GLU 81 OK 15 73 - 20 - 3.3/6273=6, 1.8/758=5...(6) HE3 LYS 114 + HA GLU 81 OK 14 64 - 21 - ~10268=8, ~10207=5...(4) HB2 ASN 139 - HA GLU 37 lone 9 100 - 9 - 3.5/9744=3, 877=1 HE3 LYS 114 - HA GLU 37 lone 8 94 - 8 - 1.8/758=3, 886/758=1...(5) HB2 ASN 130 - HA GLU 81 lone 2 70 - 3 - HB2 ASN 130 - HA GLU 37 lone 1 99 - 1 - Peak 758 from aliabs.peaks (2.75, 4.03, 58.63 ppm; 3.58 A): 3 out of 22 assignments used, quality = 0.67: * HB3 ASP 40 + HA GLU 37 OK 42 100 - 42 - 1.8/757=13, 3.3/6273=11...(9) HB2 PHE 38 + HA GLU 37 OK 37 72 - 51 - ~6231=10, ~8106=9...(11) HB3 ASP 40 + HA GLU 81 OK 12 73 - 16 - 3.3/6273=5, 1.8/757=4...(4) HE2 LYS 114 - HA GLU 81 poor 9 56 - 17 - ~10268=6, ~10207=4...(4) HB2 ASN 54 - HA GLU 37 lone 9 89 - 10 - 1.8/757=3, 10446/3.0=1...(4) HE2 LYS 114 - HA GLU 37 lone 6 85 - 7 - 1.8/757=2 HE2 LYS 76 - HA GLU 81 lone 5 72 - 7 - ~8777=5 HE3 LYS 76 - HA GLU 81 lone 4 62 - 7 - ~8777=5 HB2 PHE 38 - HA GLU 81 lone 3 46 - 7 - 3.2/6238=4, 2439=1 HE2 LYS 76 - HA GLU 37 lone 3 100 - 3 - HG3 MET 113 - HA GLU 37 lone 3 98 - 3 - HE3 LYS 76 - HA GLU 37 lone 2 92 - 3 - HB3 PHE 43 - HA GLU 37 lone 2 92 - 2 - HB2 ASN 54 - HA GLU 81 lone 2 59 - 3 - HG3 MET 113 - HA GLU 81 lone 2 69 - 2 - HB3 ASP 137 - HA GLU 37 lone 1 98 - 1 - HB3 PHE 43 - HA GLU 81 lone 1 62 - 2 - HB2 ASN 96 - HA GLU 81 lone 1 59 - 2 - HB2 ASN 96 - HA GLU 37 lone 1 89 - 1 - HB3 ASP 137 - HA GLU 81 lone 1 69 - 1 - HB3 ASP 16 - HA GLU 37 lone 0 85 - 0 - HB3 ASP 16 - HA GLU 81 lone 0 56 - 0 - Peak 760 from aliabs.peaks (4.03, 2.03, 30.10 ppm; 3.22 A): 2 out of 16 assignments used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HA GLU 37 + HB3 GLU 37 OK 99 99 - 100 - 3.0=100 HA GLU 81 - HB2 GLU 37 OK 31 100 - 31 - 774/3.0=5, 781/3.0=4...(15) HA GLU 81 - HB3 GLU 37 OK 30 99 - 31 - 774/3.0=5, 781/3.0=4...(15) HA GLU 122 - HB3 GLU 37 OK 11 66 - 17 - 3.0/4070=2, 3.0/4078=2...(7) HA GLU 122 - HB2 GLU 37 OK 11 68 - 16 - 3.0/4070=2, 3.0/4078=2...(10) HA VAL 63 - HB2 GLU 37 OK 11 99 - 11 - 781/3.0=2, 774/3.0=2...(4) HA VAL 63 - HB3 GLU 37 OK 10 98 - 11 - 781/3.0=2, 774/3.0=2...(4) HA LYS 123 - HB2 GLU 37 lone 10 99 - 10 - 6226/4.0=1, 781/3.0=1 HA LYS 123 - HB3 GLU 37 poor 10 98 - 10 - 6226/4.0=1, 2.9/7528=1 HB THR 107 - HB2 GLU 37 lone 10 100 - 10 - 781/3.0=2, 774/3.0=2...(4) HB THR 107 - HB3 GLU 37 lone 10 99 - 10 - 781/3.0=2, 774/3.0=2...(4) HB3 SER 100 - HB2 GLU 37 lone 1 68 - 1 - HB3 SER 100 - HB3 GLU 37 lone 1 66 - 1 - HB2 SER 103 - HB2 GLU 37 lone 1 68 - 1 - HB2 SER 103 - HB3 GLU 37 lone 1 66 - 1 - Peak 761 from aliabs.peaks (2.03, 2.03, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 HB3 GLU 37 + HB3 GLU 37 OK 99 99 - 100 Peak 762 from aliabs.peaks (2.02, 2.03, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 HB3 GLU 37 + HB3 GLU 37 OK 99 99 - 100 Reference assignment not found: HB3 GLU 37 - HB2 GLU 37 Peak 763 from aliabs.peaks (2.24, 2.03, 30.10 ppm; 3.07 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HB3 GLU 37 OK 99 99 - 100 - 3.0=100 HB3 PRO 12 - HB2 GLU 37 OK 19 100 - 20 - 784/3.0=4, ~11493=2...(11) HB3 PRO 12 - HB3 GLU 37 OK 19 99 - 20 - 784/3.0=4, ~11493=2...(11) HB2 GLU 28 - HB2 GLU 37 poor 9 85 - 10 - ~9776=2, 8052/3.0=2...(4) HB2 GLU 28 - HB3 GLU 37 poor 9 83 - 10 - ~9776=2, 8052/3.0=2...(4) HG2 MET 113 - HB2 GLU 37 lone 1 62 - 2 - HG2 MET 113 - HB3 GLU 37 lone 1 61 - 2 - Peak 764 from aliabs.peaks (2.38, 2.03, 30.10 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HB3 GLU 37 OK 99 99 - 100 - 3.0=100 HG3 MET 11 - HB3 GLU 37 OK 35 83 - 42 - 41=5, 778/3.0=4...(19) HG3 MET 11 - HB2 GLU 37 OK 35 85 - 41 - 41/1.8=5, 778/3.0=4...(19) HG2 GLN 25 - HB2 GLU 37 lone 5 81 - 7 - HG2 GLN 25 - HB3 GLU 37 lone 5 80 - 7 - HG2 MET 59 - HB2 GLU 37 lone 5 62 - 9 - HG2 MET 59 - HB3 GLU 37 lone 5 61 - 9 - Peak 765 from aliabs.peaks (7.87, 2.03, 30.10 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 38 + HB2 GLU 37 OK 96 100 - 96 - 4.6=82, 779/3.0=32...(11) H PHE 38 + HB3 GLU 37 OK 96 99 - 96 - 4.6=82, 779/3.0=32...(11) Peak 767 from aliabs.peaks (4.03, 2.02, 30.10 ppm; 3.22 A): 2 out of 16 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HA GLU 37 + HB2 GLU 37 OK 99 99 - 100 - 3.0=100 HA GLU 81 - HB3 GLU 37 OK 31 100 - 31 - 774/3.0=5, 781/3.0=4...(15) HA GLU 81 - HB2 GLU 37 OK 30 99 - 31 - 774/3.0=5, 781/3.0=4...(15) HA GLU 122 - HB3 GLU 37 OK 12 68 - 17 - 3.0/4070=2, 3.0/4078=2...(7) HA GLU 122 - HB2 GLU 37 OK 11 66 - 17 - 3.0/4070=2, 3.0/4078=2...(11) HA VAL 63 - HB3 GLU 37 OK 11 99 - 11 - 781/3.0=2, 774/3.0=2...(4) HA VAL 63 - HB2 GLU 37 OK 10 98 - 11 - 781/3.0=2, 774/3.0=2...(4) HA LYS 123 - HB3 GLU 37 OK 10 99 - 10 - 2.9/7528=1, 6226/4.0=1 HA LYS 123 - HB2 GLU 37 poor 10 98 - 10 - 6226/4.0=1, 2.9/7528=1 HB THR 107 - HB3 GLU 37 lone 10 100 - 10 - 781/3.0=2, 774/3.0=2...(4) HB THR 107 - HB2 GLU 37 lone 10 99 - 10 - 781/3.0=2, 774/3.0=2...(4) HB3 SER 100 - HB3 GLU 37 lone 1 68 - 1 - HB3 SER 100 - HB2 GLU 37 lone 1 66 - 1 - HB2 SER 103 - HB3 GLU 37 lone 1 68 - 1 - HB2 SER 103 - HB2 GLU 37 lone 1 66 - 1 - Peak 768 from aliabs.peaks (2.03, 2.02, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 HB2 GLU 37 + HB2 GLU 37 OK 99 99 - 100 Reference assignment not found: HB2 GLU 37 - HB3 GLU 37 Peak 769 from aliabs.peaks (2.02, 2.02, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 HB2 GLU 37 + HB2 GLU 37 OK 99 99 - 100 Peak 770 from aliabs.peaks (2.24, 2.02, 30.10 ppm; 3.07 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HB2 GLU 37 OK 99 99 - 100 - 3.0=100 HB3 PRO 12 - HB3 GLU 37 OK 19 100 - 19 - 784/3.0=4, ~11493=2...(11) HB3 PRO 12 - HB2 GLU 37 OK 19 99 - 20 - 784/3.0=4, ~11493=2...(11) HB2 GLU 28 - HB3 GLU 37 poor 9 85 - 10 - ~9776=2, 8052/3.0=2...(4) HB2 GLU 28 - HB2 GLU 37 poor 9 83 - 10 - ~9776=2, 8052/3.0=2...(4) HG2 MET 113 - HB3 GLU 37 lone 1 62 - 2 - HG2 MET 113 - HB2 GLU 37 lone 1 61 - 2 - Peak 771 from aliabs.peaks (2.38, 2.02, 30.10 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HB2 GLU 37 OK 99 99 - 100 - 3.0=100 HG3 MET 11 - HB3 GLU 37 OK 37 85 - 43 - 41=5, 1.8/35=4, 3.0/23=4...(19) HG3 MET 11 - HB2 GLU 37 OK 35 83 - 42 - 41/1.8=5, 41=4...(19) HG2 GLN 25 - HB3 GLU 37 lone 6 81 - 7 - HG2 MET 59 - HB3 GLU 37 lone 5 62 - 9 - HG2 GLN 25 - HB2 GLU 37 lone 5 80 - 7 - HG2 MET 59 - HB2 GLU 37 lone 5 61 - 9 - Peak 772 from aliabs.peaks (7.87, 2.02, 30.10 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 38 + HB3 GLU 37 OK 96 100 - 96 - 4.6=82, 779/3.0=32...(11) H PHE 38 + HB2 GLU 37 OK 96 99 - 96 - 4.6=82, 779/3.0=32...(11) Peak 774 from aliabs.peaks (4.03, 2.24, 36.00 ppm; 3.37 A): 2 out of 8 assignments used, quality = 0.95: * HA GLU 37 + HG2 GLU 37 OK 93 100 - 93 - 3.8=67, 754/1.8=23...(16) HA GLU 81 + HG2 GLU 37 OK 28 100 - 29 - 753=8, 781/1.8=6...(8) HA VAL 63 - HG2 GLU 37 OK 10 99 - 10 - 781/1.8=2, ~8361=1, ~8360=1 HB THR 107 - HG2 GLU 37 lone 10 100 - 10 - 781/1.8=3, ~9253=2, ~9253=1 HA LYS 123 - HG2 GLU 37 lone 6 99 - 6 - 781/1.8=2, 6226/4.4=1 HA GLU 122 - HG2 GLU 37 lone 5 68 - 7 - 781/1.8=1 HB3 SER 100 - HG2 GLU 37 lone 1 68 - 1 - HB2 SER 103 - HG2 GLU 37 lone 1 68 - 1 - Peak 775 from aliabs.peaks (2.03, 2.24, 36.00 ppm; 2.54 A): 2 out of 6 assignments used, quality = 0.97: * HB2 GLU 37 + HG2 GLU 37 OK 82 100 - 82 - 3.0=61, 3.0/753=11...(17) HB3 GLU 37 + HG2 GLU 37 OK 82 100 - 82 - 3.0=61, 3.0/753=11...(17) HB3 LYS 34 - HG2 GLU 37 OK 19 98 - 20 - 3.0/10918=8, 782/1.8=3...(4) HB2 GLU 90 - HG2 GLU 37 OK 11 89 - 12 - 783/1.8=2, 2920/3.0=2 HG3 GLU 122 - HG2 GLU 37 lone 3 72 - 4 - HB2 PRO 33 - HG2 GLU 37 lone 2 72 - 3 - Peak 776 from aliabs.peaks (2.02, 2.24, 36.00 ppm; 2.54 A): 2 out of 6 assignments used, quality = 0.97: * HB3 GLU 37 + HG2 GLU 37 OK 82 100 - 82 - 3.0=61, 3.0/753=11...(17) HB2 GLU 37 + HG2 GLU 37 OK 82 100 - 82 - 3.0=61, 3.0/753=11...(17) HB3 LYS 34 - HG2 GLU 37 OK 18 94 - 20 - 3.0/10918=8, 782/1.8=3...(4) HB2 GLU 90 - HG2 GLU 37 OK 12 94 - 13 - 783/1.8=2, 2920/3.0=2 HG3 GLU 122 - HG2 GLU 37 lone 3 81 - 4 - HB2 PRO 33 - HG2 GLU 37 lone 2 62 - 3 - Peak 777 from aliabs.peaks (2.24, 2.24, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 Peak 778 from aliabs.peaks (2.38, 2.24, 36.00 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 1.8=100 HG3 MET 11 - HG2 GLU 37 OK 16 85 - 19 - 41/3.0=2, 771/3.0=2...(8) HG2 GLN 25 - HG2 GLU 37 lone 3 81 - 4 - HG2 MET 59 - HG2 GLU 37 lone 3 62 - 4 - Peak 779 from aliabs.peaks (7.87, 2.24, 36.00 ppm; 6.23 A): 1 out of 1 assignment used, quality = 0.94: * H PHE 38 + HG2 GLU 37 OK 94 100 - 94 - 6231/4.4=47, 6241=46...(9) Peak 781 from aliabs.peaks (4.03, 2.38, 36.00 ppm; 3.52 A): 1 out of 8 assignments used, quality = 0.96: * HA GLU 37 + HG3 GLU 37 OK 96 100 - 96 - 3.8=77, 753/1.8=29...(17) HA GLU 81 - HG3 GLU 37 OK 28 100 - 28 - 774/1.8=8, 754=7...(7) HB THR 107 - HG3 GLU 37 OK 12 100 - 12 - 2.1/9253=3, 774/1.8=2...(4) HA VAL 63 - HG3 GLU 37 OK 12 99 - 12 - 774/1.8=3, 3.2/8360=2...(4) HA LYS 123 - HG3 GLU 37 lone 8 99 - 8 - 774/1.8=2, 6226/4.4=1 HA GLU 122 - HG3 GLU 37 lone 6 68 - 9 - 774/1.8=1, 767/3.0=1 HB3 SER 100 - HG3 GLU 37 lone 1 68 - 2 - HB2 SER 103 - HG3 GLU 37 lone 1 68 - 1 - Peak 782 from aliabs.peaks (2.03, 2.38, 36.00 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 37 + HG3 GLU 37 OK 96 100 - 96 - 3.0=87, 776/1.8=16...(18) HB3 GLU 37 + HG3 GLU 37 OK 96 100 - 96 - 3.0=87, 776/1.8=16...(18) HB3 LYS 34 - HG3 GLU 37 OK 31 98 - 32 - ~10918=7, 3.0/9799=7...(9) HB2 GLU 90 - HG3 GLU 37 OK 18 89 - 20 - 776/1.8=2, 2920/3.0=2...(8) HG3 GLU 122 - HG3 GLU 37 lone 4 72 - 6 - HB2 PRO 33 - HG3 GLU 37 lone 4 72 - 5 - Peak 783 from aliabs.peaks (2.02, 2.38, 36.00 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 37 + HG3 GLU 37 OK 96 100 - 96 - 3.0=87, 776/1.8=16...(18) HB2 GLU 37 + HG3 GLU 37 OK 96 100 - 96 - 3.0=87, 776/1.8=16...(18) HB3 LYS 34 - HG3 GLU 37 OK 30 94 - 32 - ~10918=7, 3.0/9799=7...(9) HB2 GLU 90 - HG3 GLU 37 OK 20 94 - 21 - 2920/3.0=2, 776/1.8=2...(8) HG3 GLU 122 - HG3 GLU 37 lone 5 81 - 6 - HB2 PRO 33 - HG3 GLU 37 lone 3 62 - 5 - Peak 784 from aliabs.peaks (2.24, 2.38, 36.00 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 1.8=100 HB3 PRO 12 - HG3 GLU 37 OK 17 100 - 17 - 1.8/11493=2, ~78=2...(11) HB2 GLU 28 - HG3 GLU 37 lone 4 85 - 5 - 8052/3.8=1 HG2 MET 113 - HG3 GLU 37 lone 0 62 - 1 - Peak 785 from aliabs.peaks (2.38, 2.38, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 Peak 787 from aliabs.peaks (7.87, 4.17, 60.77 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 38 + HA PHE 38 OK 100 100 - 100 - 2.9=100 Peak 788 from aliabs.peaks (4.17, 4.17, 60.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 38 + HA PHE 38 OK 100 100 - 100 Peak 789 from aliabs.peaks (2.77, 4.17, 60.77 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PHE 38 + HA PHE 38 OK 100 100 - 100 - 3.0=100 HB2 ASP 41 + HA PHE 38 OK 57 96 - 60 - 1.8/797=28, 3.8/795=17...(9) HB3 ASP 40 - HA PHE 38 OK 38 72 - 52 - 4.4/795=15, ~6274=12...(9) HE2 LYS 114 - HA PHE 38 OK 13 100 - 13 - 6296/795=2, 897=2...(6) HE3 LYS 76 - HA PHE 38 OK 10 98 - 10 - 810/3.0=1 HE2 LYS 76 - HA PHE 38 poor 9 85 - 10 - 810/3.0=1 HB3 TYR 119 - HA PHE 38 poor 7 62 - 11 - 4.4/7483=3, 3.9/9424=2 HB3 ASP 137 - HA PHE 38 lone 3 92 - 3 - Peak 790 from aliabs.peaks (3.34, 4.17, 60.77 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 38 + HA PHE 38 OK 100 100 - 100 - 3.0=100 Peak 791 from aliabs.peaks (6.97, 4.17, 60.77 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 38 + HA PHE 38 OK 100 100 - 100 - 3.1=100 QE PHE 43 - HA PHE 38 poor 9 81 - 12 - 812/3.0=3, 5562/4.7=3...(4) Peak 792 from aliabs.peaks (6.29, 4.17, 60.77 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 38 + HA PHE 38 OK 100 100 - 100 - 4.7=100 Peak 794 from aliabs.peaks (8.27, 4.17, 60.77 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 39 + HA PHE 38 OK 100 100 - 100 - 3.6=100 Peak 795 from aliabs.peaks (7.38, 4.17, 60.77 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.86: * H ASP 41 + HA PHE 38 OK 84 100 - 84 - 3.8/797=34, 3.8/796=21...(10) H LYS 114 + HA PHE 38 OK 15 96 - 16 - 904/797=3, 7.0/796=2...(6) Peak 796 from aliabs.peaks (2.77, 4.17, 60.77 ppm; 4.18 A): 2 out of 7 assignments used, quality = 0.99: HB2 PHE 38 + HA PHE 38 OK 96 96 - 100 - 3.0=100 * HB2 ASP 41 + HA PHE 38 OK 60 100 - 60 - 1.8/797=28, 3.8/795=17...(9) HE2 LYS 114 - HA PHE 38 OK 11 89 - 13 - 6298/795=2, 897=2...(4) HB3 TYR 119 - HA PHE 38 OK 10 89 - 12 - 4.4/7483=3, 2440/4.9=2 HE3 LYS 76 - HA PHE 38 lone 8 81 - 10 - 810/3.0=1 HG3 GLN 111 - HA PHE 38 lone 2 77 - 3 - HB3 ASP 137 - HA PHE 38 lone 2 68 - 3 - Peak 797 from aliabs.peaks (2.80, 4.17, 60.77 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.64: * HB3 ASP 41 + HA PHE 38 OK 57 100 - 57 - 1.8/796=19, 3.8/795=17...(9) HB3 ASN 84 + HA PHE 38 OK 17 96 - 17 - 2440/4.9=4, 796=3...(5) HB3 ASN 139 - HA PHE 38 lone 7 98 - 7 - 6299/795=2, 4700/3.1=1 HB2 ASN 128 - HA PHE 38 lone 3 98 - 3 - HG3 GLN 111 - HA PHE 38 lone 2 68 - 3 - Peak 798 from aliabs.peaks (2.07, 2.77, 39.24 ppm; 6.80 A): 1 out of 6 assignments used, quality = 0.97: * HA ARG 35 + HB2 PHE 38 OK 97 100 - 97 - 592/1.8=47, 11164/3.2=45...(13) HD2 ARG 49 - HB2 PHE 38 OK 43 77 - 56 - ~9829=25, 807/1.8=10...(10) HB2 LEU 26 - HB2 PHE 38 OK 20 81 - 25 - 807/1.8=4, 6252/4.4=4...(7) HG3 PRO 98 - HB2 PHE 38 OK 19 72 - 26 - 807/1.8=4, 798=4...(8) HB3 GLN 62 - HB2 PHE 38 lone 7 89 - 8 - 807/1.8=2, 9781/4.5=1 HB3 LYS 61 - HB2 PHE 38 lone 3 68 - 4 - 9781/4.5=1 Peak 800 from aliabs.peaks (4.17, 2.77, 39.24 ppm; 5.15 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 38 + HB2 PHE 38 OK 100 100 - 100 - 3.0=100 HA GLU 120 + HB2 PHE 38 OK 64 98 - 66 - 800=9, 809/1.8=9...(21) HB2 SER 44 - HB2 PHE 38 OK 34 89 - 39 - 809/1.8=6, 800=5...(13) HB3 SER 44 - HB2 PHE 38 OK 33 85 - 38 - 809/1.8=5, 800=5...(13) HA LEU 64 - HB2 PHE 38 OK 25 85 - 30 - 800=4, 809/1.8=4...(13) HA CYS 121 - HB2 PHE 38 OK 16 96 - 17 - 4.9/800=5, 2.9/7496=4...(4) HA LYS 76 - HB2 PHE 38 poor 9 72 - 12 - 4.1/2282=1, 2.9/2259=1...(4) HA3 GLY 125 - HB2 PHE 38 lone 2 62 - 3 - Peak 801 from aliabs.peaks (2.77, 2.77, 39.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 38 + HB2 PHE 38 OK 100 100 - 100 Peak 802 from aliabs.peaks (3.34, 2.77, 39.24 ppm; 6.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 38 + HB2 PHE 38 OK 100 100 - 100 - 1.8=100 Peak 803 from aliabs.peaks (6.97, 2.77, 39.24 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 38 + HB2 PHE 38 OK 100 100 - 100 - 2.6=100 QE PHE 43 - HB2 PHE 38 OK 24 81 - 29 - 5562/4.5=9, 812/1.8=6...(8) Peak 806 from aliabs.peaks (8.27, 2.77, 39.24 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 39 + HB2 PHE 38 OK 100 100 - 100 - 4.4=100 Peak 807 from aliabs.peaks (2.07, 3.34, 39.24 ppm; 6.80 A): 1 out of 6 assignments used, quality = 0.97: * HA ARG 35 + HB3 PHE 38 OK 97 100 - 97 - 592=50, 11164/3.2=45...(11) HD2 ARG 49 - HB3 PHE 38 OK 43 77 - 56 - ~9829=25, 798/1.8=10...(10) HB2 LEU 26 - HB3 PHE 38 OK 20 81 - 25 - 798/1.8=5, 6252/4.4=4...(7) HG3 PRO 98 - HB3 PHE 38 OK 18 72 - 25 - 798/1.8=4, 807=4...(9) HB3 GLN 62 - HB3 PHE 38 poor 9 89 - 10 - 8343/10936=2, 798/1.8=2 HB3 LYS 61 - HB3 PHE 38 lone 3 68 - 5 - 9781/4.5=1 Peak 808 from aliabs.peaks (7.87, 3.34, 39.24 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 3.2=100 Peak 809 from aliabs.peaks (4.17, 3.34, 39.24 ppm; 4.45 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 3.0=100 HA GLU 120 + HB3 PHE 38 OK 49 98 - 50 - 809=9, 800/1.8=7...(18) HB2 SER 44 - HB3 PHE 38 OK 29 89 - 32 - 809=5, 1.8/809=4...(13) HB3 SER 44 - HB3 PHE 38 OK 28 85 - 32 - 809=5, 1.8/809=4...(13) HA LEU 64 - HB3 PHE 38 OK 20 85 - 23 - 809=4, 800/1.8=3...(12) HA CYS 121 - HB3 PHE 38 OK 11 96 - 11 - 4.9/809=4, ~7496=2...(4) HA LYS 76 - HB3 PHE 38 lone 6 72 - 8 - HA3 GLY 125 - HB3 PHE 38 lone 1 62 - 2 - Peak 810 from aliabs.peaks (2.77, 3.34, 39.24 ppm; 4.90 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 1.8=100 HB2 ASP 41 + HB3 PHE 38 OK 65 96 - 67 - ~797=20, ~797=18...(11) HB3 ASP 40 - HB3 PHE 38 OK 36 72 - 50 - ~6274=16, ~8136=14...(9) HE3 LYS 76 - HB3 PHE 38 OK 12 98 - 12 - 796/3.0=2, ~796=1, ~789=1 HE2 LYS 76 - HB3 PHE 38 OK 12 85 - 13 - 796/3.0=2, ~796=2...(4) HE2 LYS 114 - HB3 PHE 38 lone 10 100 - 10 - 8140/4716=3, 789/3.0=2, ~9786=2 HB3 TYR 119 - HB3 PHE 38 lone 4 62 - 6 - 796/3.0=3, ~3983=1 HB3 ASP 137 - HB3 PHE 38 lone 2 92 - 2 - Peak 811 from aliabs.peaks (3.34, 3.34, 39.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 38 + HB3 PHE 38 OK 100 100 - 100 Peak 812 from aliabs.peaks (6.97, 3.34, 39.24 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 2.6=100 QE PHE 43 - HB3 PHE 38 OK 13 81 - 16 - 5562/4.5=4, 791/3.0=3...(7) Peak 813 from aliabs.peaks (6.29, 3.34, 39.24 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 38 + HB3 PHE 38 OK 100 100 - 100 - 4.5=100 Peak 815 from aliabs.peaks (8.27, 3.34, 39.24 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 39 + HB3 PHE 38 OK 100 100 - 100 - 4.4=100 Peak 817 from aliabs.peaks (3.20, 3.20, 57.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 39 + HA LEU 39 OK 100 100 - 100 Peak 818 from aliabs.peaks (0.98, 3.20, 57.29 ppm; 6.18 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.0=100 QD1 LEU 29 + HA LEU 39 OK 72 100 - 72 - 11472/3.8=31, 839/3.0=15...(10) QG2 THR 51 - HA LEU 39 OK 37 81 - 45 - 8225/3.0=17, 10462=8...(7) Peak 819 from aliabs.peaks (1.38, 3.20, 57.29 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.0=100 HB2 LEU 69 + HA LEU 39 OK 69 94 - 73 - 4.0/10754=13, 4.6/6711=9...(22) HG LEU 132 + HA LEU 39 OK 69 100 - 69 - 831/3.0=9, 864/3.9=8...(19) HB3 ARG 49 + HA LEU 39 OK 46 77 - 59 - 831/3.0=6, ~1250=6...(19) HB2 ARG 109 - HA LEU 39 OK 39 72 - 53 - 9273/3.9=6, 819=6...(16) HB VAL 82 - HA LEU 39 OK 36 62 - 58 - 2.1/9987=14, 4.5/6901=8...(17) HG2 LYS 86 - HA LEU 39 OK 15 68 - 22 - 831/3.0=2, 819=2...(10) Peak 821 from aliabs.peaks (0.03, 3.20, 57.29 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.8=100 Peak 822 from aliabs.peaks (0.70, 3.20, 57.29 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 39 + HA LEU 39 OK 100 100 - 100 - 3.9=100 QD2 LEU 66 + HA LEU 39 OK 66 89 - 74 - ~10990=14, 10792/3.8=13...(22) QD1 ILE 83 - HA LEU 39 OK 29 62 - 47 - 3.2/2505=7, 851/3.7=6...(16) Peak 830 from aliabs.peaks (0.98, 0.98, 40.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 39 + HB2 LEU 39 OK 100 100 - 100 Peak 831 from aliabs.peaks (1.38, 0.98, 40.66 ppm; 5.14 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 1.8=100 HG LEU 132 + HB2 LEU 39 OK 59 100 - 60 - ~10423=7, 864/3.2=7...(19) HB2 LEU 69 + HB2 LEU 39 OK 47 94 - 50 - 6279/4.3=6, 864/3.2=5...(19) HB3 ARG 49 - HB2 LEU 39 OK 42 77 - 54 - ~1250=5, 3.7/10661=5...(23) HB2 ARG 109 - HB2 LEU 39 OK 36 72 - 50 - ~9272=7, ~11496=6...(18) HB VAL 82 - HB2 LEU 39 OK 29 62 - 47 - ~9987=8, ~2487=5...(18) HG2 LYS 86 - HB2 LEU 39 OK 13 68 - 19 - ~8113=2, 864/3.2=1...(6) Peak 832 from aliabs.peaks (1.77, 0.98, 40.66 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: * HG LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.0=100 HB3 ARG 35 + HB2 LEU 39 OK 95 98 - 97 - ~8100=31, ~8100=30...(26) HB ILE 83 + HB2 LEU 39 OK 92 100 - 92 - ~10660=13, 2505/3.0=11...(36) HG LEU 66 + HB2 LEU 39 OK 76 77 - 99 - ~10792=29, ~11159=29...(34) HG LEU 72 + HB2 LEU 39 OK 55 81 - 68 - ~10227=21, 6280/4.3=12...(18) HB3 ARG 55 - HB2 LEU 39 OK 32 85 - 38 - ~1402=5, ~1402=4...(14) HB3 MET 59 - HB2 LEU 39 OK 30 98 - 30 - 841/1.8=4, ~1604=3...(13) HG LEU 95 - HB2 LEU 39 OK 16 68 - 23 - ~9073=2, 841/1.8=2...(10) HB2 PRO 12 - HB2 LEU 39 OK 14 68 - 20 - 841/1.8=2, 865/3.2=1, 857/3.2=1 Peak 833 from aliabs.peaks (0.03, 0.98, 40.66 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.2=100 Peak 834 from aliabs.peaks (0.70, 0.98, 40.66 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 39 + HB2 LEU 39 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + HB2 LEU 39 OK 83 89 - 93 - 2.1/10990=19...(31) QD1 ILE 83 - HB2 LEU 39 OK 43 62 - 69 - ~10660=8, 851/3.0=7...(28) Peak 839 from aliabs.peaks (0.98, 1.38, 40.66 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 1.8=100 QD1 LEU 29 + HB3 LEU 39 OK 68 100 - 68 - 11472/3.2=22, 863/3.2=12...(14) QG2 THR 51 - HB3 LEU 39 OK 41 81 - 51 - 8225=15, 4.0/8222=14...(8) Peak 840 from aliabs.peaks (1.38, 1.38, 40.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 39 + HB3 LEU 39 OK 100 100 - 100 Peak 841 from aliabs.peaks (1.77, 1.38, 40.66 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: * HG LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.0=100 HB3 ARG 35 + HB3 LEU 39 OK 95 98 - 97 - ~8100=31, ~8100=30...(27) HB ILE 83 + HB3 LEU 39 OK 91 100 - 91 - 2.1/10660=13...(34) HG LEU 66 + HB3 LEU 39 OK 76 77 - 99 - ~10792=29, ~11159=29...(31) HG LEU 72 + HB3 LEU 39 OK 62 81 - 76 - ~10227=21, 3.7/11495=15...(18) HB3 ARG 55 - HB3 LEU 39 OK 33 85 - 39 - ~1402=5, ~1402=4...(15) HB3 MET 59 - HB3 LEU 39 OK 32 98 - 33 - 832/1.8=4, ~1604=3...(15) HG LEU 95 - HB3 LEU 39 OK 17 68 - 24 - 2.1/9073=2, 832/1.8=2...(10) HB2 PRO 12 - HB3 LEU 39 OK 14 68 - 20 - 832/1.8=2, 865/3.2=1, 857/3.2=1 Peak 842 from aliabs.peaks (0.03, 1.38, 40.66 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.2=100 Peak 843 from aliabs.peaks (0.70, 1.38, 40.66 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 39 + HB3 LEU 39 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + HB3 LEU 39 OK 88 89 - 99 - 10792/3.2=30, ~11159=29...(38) QD1 ILE 83 + HB3 LEU 39 OK 54 62 - 87 - 3.1/10660=13, 834/1.8=10...(34) Peak 846 from aliabs.peaks (3.20, 1.77, 26.52 ppm; 6.80 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 39 + HG LEU 39 OK 100 100 - 100 - 3.7=100 HA VAL 73 - HG LEU 39 OK 40 100 - 40 - ~8588=9, 854/2.1=7...(10) HD2 ARG 55 - HG LEU 39 OK 39 100 - 40 - 854/2.1=7, ~854=6...(11) HD3 ARG 55 - HG LEU 39 OK 39 100 - 40 - 854/2.1=7, ~854=6...(11) HD2 ARG 141 - HG LEU 39 OK 22 100 - 22 - ~8113=6, ~8113=5...(6) HD3 ARG 141 - HG LEU 39 OK 21 94 - 22 - ~8113=6, ~8113=5...(6) HG3 MET 46 - HG LEU 39 poor 8 62 - 13 - ~8119=4, ~8119=3...(4) HD3 ARG 144 - HG LEU 39 lone 6 85 - 8 - 4794/10989=2 HD2 ARG 144 - HG LEU 39 lone 4 62 - 7 - 4794/10989=2 Peak 847 from aliabs.peaks (0.98, 1.77, 26.52 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + HG LEU 39 OK 100 100 - 100 - 3.0=100 QD1 LEU 29 + HG LEU 39 OK 66 100 - 66 - 11472/2.1=22, 863/2.1=14...(17) QG2 THR 51 - HG LEU 39 OK 31 81 - 39 - 8225/3.0=14, 863/2.1=6...(7) Peak 848 from aliabs.peaks (1.38, 1.77, 26.52 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + HG LEU 39 OK 100 100 - 100 - 3.0=100 HG LEU 132 + HG LEU 39 OK 69 100 - 69 - 2.1/10423=14, 831/3.0=9...(17) HB2 LEU 69 + HG LEU 39 OK 53 94 - 56 - 831/3.0=7, 819/3.7=6...(17) HB3 ARG 49 + HG LEU 39 OK 51 77 - 66 - 3.7/10975=17, ~856=6...(20) HB2 ARG 109 + HG LEU 39 OK 45 72 - 63 - ~9272=14, ~11496=11...(18) HB VAL 82 - HG LEU 39 OK 31 62 - 49 - ~8118=9, ~10758=7...(13) HG2 LYS 86 - HG LEU 39 OK 18 68 - 26 - ~8113=3, ~8113=3...(10) Peak 849 from aliabs.peaks (1.77, 1.77, 26.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 39 + HG LEU 39 OK 100 100 - 100 Peak 850 from aliabs.peaks (0.03, 1.77, 26.52 ppm; 5.91 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + HG LEU 39 OK 100 100 - 100 - 2.1=100 Peak 851 from aliabs.peaks (0.70, 1.77, 26.52 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 39 + HG LEU 39 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + HG LEU 39 OK 73 89 - 82 - 859/2.1=15, ~11159=11...(29) QD1 ILE 83 - HG LEU 39 OK 37 62 - 59 - 859/2.1=6, 2.1/2532=6...(25) Peak 853 from aliabs.peaks (8.27, 0.03, 26.33 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 4.3=100 Peak 854 from aliabs.peaks (3.20, 0.03, 26.33 ppm; 5.65 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 3.8=100 HD2 ARG 55 - QD1 LEU 39 OK 37 100 - 37 - 862/2.1=6, ~862=5...(15) HD3 ARG 55 - QD1 LEU 39 OK 37 100 - 37 - 862/2.1=5, ~862=5...(15) HA VAL 73 - QD1 LEU 39 OK 35 100 - 35 - ~8588=6, 862/2.1=5...(13) HD2 ARG 141 - QD1 LEU 39 OK 17 100 - 17 - 3.0/8113=6, 862/2.1=3...(6) HD3 ARG 141 - QD1 LEU 39 OK 16 94 - 17 - 3.0/8113=6, 862/2.1=2...(5) HG3 MET 46 - QD1 LEU 39 poor 7 62 - 12 - ~8119=3, ~8119=2, 862/2.1=1 HD3 ARG 144 - QD1 LEU 39 lone 4 85 - 5 - HD2 ARG 144 - QD1 LEU 39 lone 3 62 - 4 - Peak 855 from aliabs.peaks (0.98, 0.03, 26.33 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 + QD1 LEU 39 OK 61 100 - 61 - 863/2.1=12, 847/2.1=9...(23) QG2 THR 51 - QD1 LEU 39 OK 27 81 - 33 - 8225/3.2=11, 863/2.1=5...(7) Peak 856 from aliabs.peaks (1.38, 0.03, 26.33 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 3.2=100 HG LEU 132 + QD1 LEU 39 OK 46 100 - 46 - 864/2.1=7, ~10423=7...(18) HB2 LEU 69 - QD1 LEU 39 OK 31 94 - 33 - 864/2.1=5, 831/3.2=4...(17) HB3 ARG 49 - QD1 LEU 39 OK 31 77 - 40 - 3.7/8114=4, 864/2.1=4...(19) HB2 ARG 109 - QD1 LEU 39 OK 30 72 - 42 - ~9272=7, ~11496=6...(18) HB VAL 82 - QD1 LEU 39 OK 19 62 - 31 - 3.0/10758=5, ~8118=4...(14) HG2 LYS 86 - QD1 LEU 39 poor 9 68 - 13 - 3.0/8113=2, 864/2.1=1, 831/3.2=1 Peak 857 from aliabs.peaks (1.77, 0.03, 26.33 ppm; 4.25 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 2.1=100 HB3 ARG 35 + QD1 LEU 39 OK 81 98 - 83 - 3.0/8100=17...(23) HB ILE 83 + QD1 LEU 39 OK 67 100 - 67 - 2512/2.1=9, 3.2/859=6...(32) HG LEU 66 + QD1 LEU 39 OK 64 77 - 84 - 2.1/859=15, ~11496=10...(31) HG LEU 72 - QD1 LEU 39 OK 36 81 - 44 - 3.7/9790=9, 3.0/8112=6...(16) HB3 ARG 55 - QD1 LEU 39 OK 22 85 - 26 - 865/2.1=3, ~1402=3...(11) HB3 MET 59 - QD1 LEU 39 OK 17 98 - 17 - 865/2.1=2, ~1604=2...(7) HG LEU 95 - QD1 LEU 39 poor 8 68 - 12 - 3.0/8113=2, 865/2.1=1 HB2 PRO 12 - QD1 LEU 39 poor 8 68 - 11 - 865/2.1=1 Peak 858 from aliabs.peaks (0.03, 0.03, 26.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + QD1 LEU 39 OK 100 100 - 100 Peak 859 from aliabs.peaks (0.70, 0.03, 26.33 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 39 + QD1 LEU 39 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + QD1 LEU 39 OK 70 89 - 79 - 859=12, 851/2.1=10...(36) QD1 ILE 83 - QD1 LEU 39 OK 29 62 - 47 - 851/2.1=5, ~2528=4...(23) Peak 862 from aliabs.peaks (3.20, 0.70, 22.14 ppm; 4.31 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 3.9=100 HD2 ARG 55 - QD2 LEU 39 OK 22 100 - 22 - 854/2.1=3, ~854=3...(10) HA VAL 73 - QD2 LEU 39 OK 22 100 - 22 - ~8588=3, 854/2.1=3...(9) HD3 ARG 55 - QD2 LEU 39 OK 22 100 - 22 - 854/2.1=3, ~854=3...(10) HD2 ARG 141 - QD2 LEU 39 OK 10 100 - 10 - ~8113=3, ~8113=2...(5) HD3 ARG 141 - QD2 LEU 39 poor 10 94 - 10 - ~8113=3, ~8113=2...(4) HG3 MET 46 - QD2 LEU 39 lone 4 62 - 7 - 3.0/8119=3 HD3 ARG 144 - QD2 LEU 39 lone 2 85 - 2 - HD2 ARG 144 - QD2 LEU 39 lone 1 62 - 2 - Peak 863 from aliabs.peaks (0.98, 0.70, 22.14 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 + QD2 LEU 39 OK 51 100 - 51 - 11472/2.1=10...(18) QG2 THR 51 - QD2 LEU 39 OK 24 81 - 29 - 8225/3.2=9, 855/2.1=4...(7) Peak 864 from aliabs.peaks (1.38, 0.70, 22.14 ppm; 4.03 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 3.2=100 HG LEU 132 - QD2 LEU 39 OK 42 100 - 42 - 864=7, ~10423=5...(18) HB2 ARG 109 - QD2 LEU 39 OK 29 72 - 40 - 2.8/11496=8, 864=6...(15) HB2 LEU 69 - QD2 LEU 39 OK 29 94 - 30 - 864=5, 856/2.1=3...(16) HB3 ARG 49 - QD2 LEU 39 OK 25 77 - 32 - 3.0/864=4, 856/2.1=3...(17) HB VAL 82 - QD2 LEU 39 OK 19 62 - 30 - 3.0/8118=5, 4.5/6914=4...(11) HG2 LYS 86 - QD2 LEU 39 poor 8 68 - 12 - 864=1, ~8113=1, ~8113=1 Peak 865 from aliabs.peaks (1.77, 0.70, 22.14 ppm; 3.95 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 2.1=100 HB3 ARG 35 + QD2 LEU 39 OK 78 98 - 80 - 865=14, ~8100=12...(21) HB ILE 83 + QD2 LEU 39 OK 65 100 - 65 - 2512=9, 2.1/2520=8...(31) HG LEU 66 + QD2 LEU 39 OK 64 77 - 83 - 2.9/11496=15...(31) HG LEU 72 - QD2 LEU 39 OK 27 81 - 33 - 865=4, 857/2.1=4...(16) HB3 ARG 55 - QD2 LEU 39 OK 19 85 - 23 - 865=3, 857/2.1=3...(9) HB3 MET 59 - QD2 LEU 39 OK 17 98 - 17 - 865=3, 857/2.1=2...(7) HG LEU 95 - QD2 LEU 39 poor 9 68 - 12 - 865=1 HB2 PRO 12 - QD2 LEU 39 poor 8 68 - 12 - 865=1 Peak 866 from aliabs.peaks (0.03, 0.70, 22.14 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 39 + QD2 LEU 39 OK 100 100 - 100 - 2.1=100 Peak 867 from aliabs.peaks (0.70, 0.70, 22.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 39 + QD2 LEU 39 OK 100 100 - 100 Peak 868 from aliabs.peaks (8.57, 0.70, 22.14 ppm; 6.08 A): 1 out of 1 assignment used, quality = 0.93: * H ASP 40 + QD2 LEU 39 OK 93 100 - 93 - 6281/2.1=47, 6276/4.8=30...(13) Peak 869 from aliabs.peaks (8.57, 4.42, 57.18 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 40 + HA ASP 40 OK 100 100 - 100 - 2.9=100 Peak 870 from aliabs.peaks (4.42, 4.42, 57.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 40 + HA ASP 40 OK 100 100 - 100 Peak 871 from aliabs.peaks (2.83, 4.42, 57.18 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASP 40 + HA ASP 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 114 + HA ASP 40 OK 46 94 - 49 - 6295/3.6=9, 886/3.0=8...(18) HB2 ASN 139 - HA ASP 40 OK 37 100 - 37 - 3.0/10357=7, 6295/3.6=5...(14) HB2 ASN 130 - HA ASP 40 lone 8 99 - 7 - 886/3.0=1 Peak 872 from aliabs.peaks (2.75, 4.42, 57.18 ppm; 3.69 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ASP 40 + HA ASP 40 OK 100 100 - 100 - 3.0=100 HB3 PHE 43 + HA ASP 40 OK 49 92 - 54 - 1.8/875=20, 4.5/6340=14...(13) HB2 ASN 54 - HA ASP 40 OK 43 89 - 48 - 1.8/871=8, 6285/2.9=5...(20) HE2 LYS 114 - HA ASP 40 OK 40 85 - 47 - 1.8/871=8, 6296/3.6=6...(18) HB2 PHE 38 - HA ASP 40 OK 22 72 - 31 - ~6274=9, ~8136=8...(7) HB3 ASP 137 - HA ASP 40 OK 14 98 - 15 - 1.8/875=5, 4659/4.9=2...(5) HG3 MET 113 - HA ASP 40 OK 12 98 - 12 - 6296/3.6=2, 6285/2.9=1...(5) HE2 LYS 76 - HA ASP 40 OK 12 100 - 11 - 6296/3.6=2, 6285/2.9=1 HE3 LYS 76 - HA ASP 40 OK 10 92 - 11 - 6296/3.6=1, 6285/2.9=1 HB3 ASP 16 - HA ASP 40 lone 1 85 - 2 - HB2 ASN 96 - HA ASP 40 lone 1 89 - 2 - Peak 873 from aliabs.peaks (7.38, 4.42, 57.18 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 41 + HA ASP 40 OK 100 100 - 100 - 3.6=100 H LYS 114 - HA ASP 40 OK 40 96 - 42 - 6286/2.9=8, 889/4.9=6...(11) Peak 875 from aliabs.peaks (2.69, 4.42, 57.18 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.71: * HB2 PHE 43 + HA ASP 40 OK 66 100 - 66 - 4.5/6340=26, 5.8/8138=21...(12) HB2 ASP 137 + HA ASP 40 OK 15 89 - 17 - 6346/6340=3, 4653/4.9=3...(8) HB2 ASP 32 - HA ASP 40 lone 6 94 - 6 - 3.0/10526=2 HB3 TYR 115 - HA ASP 40 lone 3 99 - 3 - Peak 876 from aliabs.peaks (2.74, 4.42, 57.18 ppm; 3.81 A): 3 out of 9 assignments used, quality = 0.98: HB3 ASP 40 + HA ASP 40 OK 92 92 - 100 - 3.0=100 * HB3 PHE 43 + HA ASP 40 OK 56 100 - 56 - 1.8/875=21, 4.5/6340=15...(13) HB2 ASN 54 + HA ASP 40 OK 52 100 - 52 - 1.8/871=9, 10444/3.0=6...(21) HG3 MET 113 - HA ASP 40 OK 13 100 - 13 - 6296/3.6=2, 6285/2.9=1...(4) HE2 LYS 76 - HA ASP 40 poor 9 81 - 11 - 6296/3.6=2, 6285/2.9=1 HB3 ASP 137 - HA ASP 40 poor 9 72 - 13 - 1.8/875=5, 4659/4.9=1...(4) HE3 LYS 76 - HA ASP 40 poor 6 57 - 11 - 6296/3.6=1, 6285/2.9=1 HB3 ASP 16 - HA ASP 40 lone 2 100 - 2 - HB2 ASN 96 - HA ASP 40 lone 2 100 - 2 - Peak 877 from aliabs.peaks (4.03, 2.83, 39.41 ppm; 4.48 A): 5 out of 16 assignments used, quality = 0.87: * HA GLU 37 + HB2 ASP 40 OK 59 100 - 59 - 757=20, 758/1.8=18...(7) HA VAL 63 + HB2 ASP 40 OK 42 99 - 42 - 6273/3.3=8, 883/1.8=7...(11) HA GLU 81 + HB2 ASP 40 OK 25 100 - 25 - 6273/3.3=7, 757=7...(4) HA GLU 81 + HB2 ASN 139 OK 19 56 - 35 - 9744/3.5=10, 757=8...(7) HB THR 107 + HB2 ASN 139 OK 12 57 - 21 - ~9254=4, ~4695=4...(7) HA GLU 37 - HB2 ASN 139 poor 8 57 - 14 - 9744/3.5=4, 757=4...(4) HA VAL 63 - HB2 ASN 139 poor 7 55 - 13 - 10125/3.0=4, ~10361=2...(4) HB THR 107 - HB2 ASP 40 lone 5 100 - 5 - 883/1.8=1, 6273/3.3=1 HA LYS 123 - HB2 ASP 40 lone 5 99 - 5 - 6273/3.3=1, 883/1.8=1 HA GLU 122 - HB2 ASP 40 lone 2 68 - 4 - HB3 SER 100 - HB2 ASP 40 lone 2 68 - 4 - HB2 SER 103 - HB2 ASP 40 lone 2 68 - 3 - 6289/4.4=1 HB3 SER 100 - HB2 ASN 139 lone 2 32 - 6 - 10125/3.0=2, 9744/3.5=1 HA LYS 123 - HB2 ASN 139 lone 2 55 - 3 - 9744/3.5=1 HB2 SER 103 - HB2 ASN 139 lone 1 32 - 4 - 3392/4.6=1 HA GLU 122 - HB2 ASN 139 lone 1 32 - 4 - Peak 879 from aliabs.peaks (4.42, 2.83, 39.41 ppm; 6.01 A): 2 out of 12 assignments used, quality = 1.00: * HA ASP 40 + HB2 ASP 40 OK 100 100 - 100 - 3.0=100 HA ASN 84 + HB2 ASP 40 OK 50 89 - 56 - 885/1.8=9, 6283/3.3=9...(13) HA ASP 40 - HB2 ASN 139 OK 35 57 - 61 - 10357/3.0=14, 871=10...(14) HA ILE 58 - HB2 ASP 40 OK 25 85 - 30 - 885/1.8=5, 6283/3.3=4...(10) HA ASN 84 - HB2 ASN 139 OK 17 45 - 38 - 10357/3.0=13...(7) HA PRO 57 - HB2 ASP 40 OK 13 89 - 14 - 885/1.8=3, ~1521=2...(6) HA ILE 58 - HB2 ASN 139 poor 6 43 - 14 - 10357/3.0=5, ~10362=3 HA PRO 33 - HB2 ASP 40 lone 4 72 - 6 - HB THR 18 - HB2 ASP 40 lone 4 85 - 4 - 11270/10836=1 HA PRO 33 - HB2 ASN 139 lone 2 34 - 6 - ~10520=2, 4.8/4689=1, 9791/3.0=1 HA PRO 57 - HB2 ASN 139 lone 1 45 - 3 - HB THR 18 - HB2 ASN 139 lone 1 43 - 3 - Peak 880 from aliabs.peaks (2.83, 2.83, 39.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 40 + HB2 ASP 40 OK 100 100 - 100 HB2 ASN 139 + HB2 ASN 139 OK 57 57 - 100 Peak 881 from aliabs.peaks (2.75, 2.83, 39.41 ppm; 2.90 A): 1 out of 22 assignments used, quality = 1.00: * HB3 ASP 40 + HB2 ASP 40 OK 100 100 - 100 - 1.8=100 HE2 LYS 114 - HB2 ASP 40 OK 37 85 - 44 - 3.0/3796=5, 3818=4...(22) HB2 ASN 54 - HB2 ASP 40 OK 33 89 - 38 - 10444=6, 3.5/11654=3...(18) HB3 PHE 43 - HB2 ASP 40 OK 22 92 - 24 - ~875=6, ~875=5...(9) HB3 ASP 40 - HB2 ASN 139 OK 17 57 - 29 - 886=7, ~4698=3, ~4698=3...(13) HE2 LYS 114 - HB2 ASN 139 OK 14 43 - 34 - 3.0/3796=4, ~9339=4...(15) HB2 PHE 38 - HB2 ASP 40 OK 12 72 - 17 - ~6274=4, ~8136=4...(7) HE2 LYS 76 - HB2 ASP 40 lone 10 100 - 9 - 3818=1 HE3 LYS 76 - HB2 ASP 40 lone 9 92 - 9 - HG3 MET 113 - HB2 ASP 40 lone 9 98 - 9 - 6296/4.4=1 HB3 ASP 137 - HB2 ASP 40 lone 7 98 - 7 - ~875=1, ~875=1 HE2 LYS 76 - HB2 ASN 139 lone 2 56 - 3 - HE3 LYS 76 - HB2 ASN 139 lone 1 48 - 3 - HB3 ASP 137 - HB2 ASN 139 lone 1 53 - 3 - ~10351=1 HB2 PHE 38 - HB2 ASN 139 lone 1 34 - 3 - HG3 MET 113 - HB2 ASN 139 lone 1 53 - 2 - HB2 ASN 54 - HB2 ASN 139 lone 1 45 - 2 - HB2 ASN 96 - HB2 ASP 40 lone 1 89 - 1 - HB3 ASP 16 - HB2 ASP 40 lone 1 85 - 1 - HB3 PHE 43 - HB2 ASN 139 lone 1 48 - 1 - HB3 ASP 16 - HB2 ASN 139 lone 0 43 - 1 - HB2 ASN 96 - HB2 ASN 139 lone 0 45 - 0 - Peak 883 from aliabs.peaks (4.03, 2.75, 39.41 ppm; 6.80 A): 3 out of 16 assignments used, quality = 0.95: * HA GLU 37 + HB3 ASP 40 OK 77 100 - 77 - 756/3.3=30, 2.8/11185=24...(9) HA VAL 63 + HB3 ASP 40 OK 66 99 - 66 - ~8363=11, ~8363=11...(12) HA GLU 81 + HB3 ASP 40 OK 36 100 - 36 - 756/3.3=12, 6289/4.4=8...(6) HB THR 107 - HB3 ASP 40 OK 10 100 - 10 - 6289/4.4=2, 6273/3.3=1 HA LYS 123 - HB3 ASP 40 OK 10 99 - 10 - 6273/3.3=2, 6289/4.4=2 HA GLU 37 - HB2 ASN 54 poor 9 50 - 18 - 758=4, 757/1.8=4...(6) HA VAL 63 - HB2 ASN 54 poor 5 48 - 11 - ~11659=4, 3.2/10932=1 HB2 SER 103 - HB3 ASP 40 lone 5 68 - 7 - 6289/4.4=2 HA GLU 122 - HB3 ASP 40 lone 5 68 - 7 - HB3 SER 100 - HB3 ASP 40 lone 4 68 - 6 - 6289/4.4=1 HA GLU 81 - HB2 ASN 54 lone 3 49 - 7 - 756/884=1, 757/1.8=1 HA LYS 123 - HB2 ASN 54 lone 2 48 - 4 - HB THR 107 - HB2 ASN 54 lone 2 49 - 3 - HA GLU 122 - HB2 ASN 54 lone 2 27 - 6 - ~10436=2 HB3 SER 100 - HB2 ASN 54 lone 1 27 - 3 - HB2 SER 103 - HB2 ASN 54 lone 1 27 - 3 - Peak 884 from aliabs.peaks (8.57, 2.75, 39.41 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 40 + HB3 ASP 40 OK 100 100 - 100 - 3.3=100 H ASP 40 - HB2 ASN 54 OK 42 50 - 84 - ~11657=12, ~11654=11...(22) Peak 885 from aliabs.peaks (4.42, 2.75, 39.41 ppm; 5.43 A): 1 out of 12 assignments used, quality = 1.00: * HA ASP 40 + HB3 ASP 40 OK 100 100 - 100 - 3.0=100 HA ASN 84 - HB3 ASP 40 OK 44 89 - 50 - 6283/3.3=8, 879/1.8=7...(13) HA ASP 40 - HB2 ASN 54 OK 37 50 - 74 - 871/1.8=11, 876=9...(20) HA ILE 58 - HB3 ASP 40 OK 23 85 - 26 - 6283/3.3=4, 879/1.8=3...(10) HA PRO 57 - HB3 ASP 40 OK 13 89 - 14 - ~1521=2, 879/1.8=2...(8) HA PRO 33 - HB3 ASP 40 lone 4 72 - 5 - HA ASN 84 - HB2 ASN 54 lone 3 39 - 8 - 8839/3.5=3 HB THR 18 - HB3 ASP 40 lone 3 85 - 3 - HA PRO 57 - HB2 ASN 54 lone 1 39 - 4 - ~10437=1 HA ILE 58 - HB2 ASN 54 lone 1 37 - 3 - HB THR 18 - HB2 ASN 54 lone 0 37 - 1 - HA PRO 33 - HB2 ASN 54 lone 0 30 - 2 - Peak 886 from aliabs.peaks (2.83, 2.75, 39.41 ppm; 2.94 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASP 40 + HB3 ASP 40 OK 100 100 - 100 - 1.8=100 HE3 LYS 114 - HB3 ASP 40 OK 41 94 - 44 - 3828=6, 871/3.0=4...(21) HB2 ASN 139 - HB3 ASP 40 OK 27 100 - 27 - ~4698=3, ~4698=3...(13) HB2 ASP 40 - HB2 ASN 54 OK 19 50 - 39 - 881=6, 10623/3.0=4...(18) HB2 ASN 130 - HB3 ASP 40 lone 6 99 - 6 - HE3 LYS 114 - HB2 ASN 54 lone 2 43 - 5 - HB2 ASN 139 - HB2 ASN 54 lone 1 50 - 2 - HB2 ASN 130 - HB2 ASN 54 lone 1 48 - 1 - Peak 887 from aliabs.peaks (2.75, 2.75, 39.41 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 40 + HB3 ASP 40 OK 100 100 - 100 HB2 ASN 54 - HB2 ASN 54 OK 39 39 - 100 Peak 889 from aliabs.peaks (7.38, 4.47, 57.45 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 41 + HA ASP 41 OK 100 100 - 100 - 2.9=100 H LYS 114 - HA ASP 41 OK 45 96 - 46 - ~3730=10, 873/4.9=9...(10) Peak 890 from aliabs.peaks (4.47, 4.47, 57.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 41 + HA ASP 41 OK 100 100 - 100 Peak 891 from aliabs.peaks (2.77, 4.47, 57.45 ppm; 3.76 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ASP 41 + HA ASP 41 OK 100 100 - 100 - 3.0=100 HB2 PHE 38 + HA ASP 41 OK 49 96 - 51 - ~797=8, ~795=7, ~797=7...(15) HE2 LYS 114 - HA ASP 41 OK 36 89 - 40 - 6298/2.9=7, ~3820=6...(12) HB3 ASP 137 - HA ASP 41 OK 17 68 - 25 - 1.8/4653=5, 3.8/7766=3...(12) HB3 TYR 119 - HA ASP 41 OK 13 89 - 15 - 6309/3.6=5, 906/3.0=2...(6) HE3 LYS 76 - HA ASP 41 lone 8 81 - 10 - 6298/2.9=2, 6309/3.6=1, ~6296=1 HG3 GLN 111 - HA ASP 41 lone 8 77 - 10 - ~3641=2, ~3641=1...(4) Peak 892 from aliabs.peaks (2.80, 4.47, 57.45 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASP 41 + HA ASP 41 OK 100 100 - 100 - 3.0=100 HB3 ASN 139 - HA ASP 41 OK 44 98 - 45 - 3.5/9746=10, 3.5/9747=9...(14) HB3 ASN 84 - HA ASP 41 OK 19 96 - 19 - 2563/4.9=3, 891=3...(9) HB2 ASN 128 - HA ASP 41 OK 17 98 - 17 - 6310/3.6=3, 901/3.0=3...(8) HG3 GLN 111 - HA ASP 41 lone 6 68 - 9 - ~3641=2, ~3641=1, ~3632=1 Peak 893 from aliabs.peaks (8.64, 4.47, 57.45 ppm; 6.16 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA ASP 41 OK 100 100 - 100 - 3.6=100 H LEU 69 - HA ASP 41 OK 20 98 - 21 - 6300/2.9=6, 908/3.0=5...(4) Peak 895 from aliabs.peaks (4.16, 4.47, 57.45 ppm; 3.75 A): 3 out of 8 assignments used, quality = 0.93: HB3 SER 44 + HA ASP 41 OK 67 100 - 67 - 3.9/894=18, 999=9...(19) * HB2 SER 44 + HA ASP 41 OK 66 100 - 66 - 3.9/894=18, 999=9...(19) HA PHE 38 + HA ASP 41 OK 38 89 - 43 - 797/3.0=15, 795/2.9=13...(7) HA GLU 120 - HA ASP 41 lone 4 99 - 4 - HA LYS 76 - HA ASP 41 lone 3 99 - 3 - HA3 GLY 125 - HA ASP 41 lone 1 96 - 1 - HA CYS 121 - HA ASP 41 lone 1 62 - 1 - HA LEU 126 - HA ASP 41 lone 0 81 - 1 - Peak 896 from aliabs.peaks (4.16, 4.47, 57.45 ppm; 3.75 A): 3 out of 8 assignments used, quality = 0.93: * HB3 SER 44 + HA ASP 41 OK 66 100 - 66 - 3.9/894=18, 999=9...(19) HB2 SER 44 + HA ASP 41 OK 66 100 - 66 - 3.9/894=18, 999=9...(19) HA PHE 38 + HA ASP 41 OK 35 85 - 41 - 797/3.0=14, 795/2.9=13...(7) HA GLU 120 - HA ASP 41 lone 4 98 - 4 - HA LYS 76 - HA ASP 41 lone 3 100 - 3 - HA3 GLY 125 - HA ASP 41 lone 1 98 - 1 - HA LEU 126 - HA ASP 41 lone 1 85 - 1 - HA GLU 131 - HA ASP 41 lone 0 62 - 0 - Peak 897 from aliabs.peaks (4.17, 2.77, 41.76 ppm; 3.90 A): 3 out of 16 assignments used, quality = 0.94: HB2 SER 44 + HB2 ASP 41 OK 63 89 - 71 - 903/1.8=11, 895/3.0=10...(21) HB3 SER 44 + HB2 ASP 41 OK 61 85 - 71 - 903/1.8=10, 895/3.0=10...(21) * HA PHE 38 + HB2 ASP 41 OK 60 100 - 60 - 797/1.8=25, 796=22...(9) HA PHE 38 - HE2 LYS 114 poor 8 65 - 12 - 796=3, 795/6298=2 HA GLU 120 - HB2 ASP 41 lone 6 98 - 6 - 2.9/7480=1, 4.9/3983=1 HA LYS 76 - HE2 LYS 114 poor 6 40 - 14 - 4.1/2282=2, 5.4/2304=2...(8) HA LEU 64 - HB2 ASP 41 lone 4 85 - 5 - 4.0/8372=1, 6303/4.5=1 HA LYS 76 - HB2 ASP 41 lone 2 72 - 3 - HB2 SER 44 - HE2 LYS 114 lone 2 52 - 4 - HA GLU 120 - HE2 LYS 114 lone 2 61 - 3 - 4013/4.9=1 HB3 SER 44 - HE2 LYS 114 lone 2 49 - 3 - HA CYS 121 - HB2 ASP 41 lone 1 96 - 2 - HA LEU 64 - HE2 LYS 114 lone 1 49 - 2 - HA CYS 121 - HE2 LYS 114 lone 1 59 - 2 - HA3 GLY 125 - HB2 ASP 41 lone 1 62 - 1 - HA3 GLY 125 - HE2 LYS 114 lone 0 33 - 1 - Peak 898 from aliabs.peaks (7.38, 2.77, 41.76 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 41 + HB2 ASP 41 OK 100 100 - 100 - 3.8=100 H LYS 114 + HE2 LYS 114 OK 57 59 - 96 - 7.0=35, 3820/1.8=25...(25) H ASP 41 - HE2 LYS 114 OK 44 65 - 68 - 3820/1.8=17, 3787/3.0=10...(15) H LYS 114 - HB2 ASP 41 OK 30 96 - 31 - 889/3.0=8, 904/1.8=8...(9) Peak 899 from aliabs.peaks (4.47, 2.77, 41.76 ppm; 4.21 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 41 + HB2 ASP 41 OK 100 100 - 100 - 3.0=100 HA SER 44 + HB2 ASP 41 OK 70 99 - 71 - ~894=13, 905/1.8=13...(22) HA ASP 41 - HE2 LYS 114 OK 32 65 - 49 - ~3820=8, 2.9/6298=8...(13) HA ASP 137 - HB2 ASP 41 OK 25 100 - 25 - 905/1.8=6, 6297/3.8=3...(11) HA ASP 137 - HE2 LYS 114 OK 13 63 - 20 - 4.9/10470=5, ~9707=4...(5) HA SER 103 - HB2 ASP 41 lone 7 100 - 7 - 905/1.8=1, ~7211=1 HA3 GLY 31 - HB2 ASP 41 lone 4 98 - 3 - HA SER 44 - HE2 LYS 114 lone 2 62 - 3 - HA SER 103 - HE2 LYS 114 lone 1 65 - 2 - HA3 GLY 31 - HE2 LYS 114 lone 1 61 - 1 - Peak 900 from aliabs.peaks (2.77, 2.77, 41.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 41 + HB2 ASP 41 OK 100 100 - 100 HE2 LYS 114 + HE2 LYS 114 OK 52 52 - 100 Peak 901 from aliabs.peaks (2.80, 2.77, 41.76 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HB3 ASP 41 + HB2 ASP 41 OK 100 100 - 100 - 1.8=100 HB3 ASN 139 - HB2 ASP 41 OK 12 98 - 12 - 892/3.0=3, 6299/3.8=2...(7) HB3 ASN 139 - HE2 LYS 114 poor 10 61 - 17 - 4698/1.8=4, ~9339=3...(8) HB3 ASN 84 - HB2 ASP 41 lone 9 96 - 9 - 1.8/2557=1, 892/3.0=1, 906/1.8=1 HB2 ASN 128 - HB2 ASP 41 lone 9 98 - 9 - ~4343=1, ~4343=1...(5) HB3 ASP 41 - HE2 LYS 114 poor 7 65 - 11 - 906=3, 3.8/6298=2, 3.0/891=2 HG3 GLN 111 - HB2 ASP 41 lone 3 68 - 4 - 3.9/3609=1 HB3 ASN 84 - HE2 LYS 114 lone 0 59 - 1 - HB2 ASN 128 - HE2 LYS 114 lone 0 61 - 0 - HG3 GLN 111 - HE2 LYS 114 lone 0 37 - 1 - Peak 902 from aliabs.peaks (8.64, 2.77, 41.76 ppm; 6.65 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 42 + HB2 ASP 41 OK 100 100 - 100 - 4.5=100 H LEU 42 - HE2 LYS 114 OK 24 65 - 37 - 3.7/6298=9, 3.6/891=8...(9) H LEU 69 - HB2 ASP 41 OK 22 98 - 22 - 893/3.0=7, 6300/3.8=6...(4) H LEU 69 - HE2 LYS 114 OK 14 61 - 24 - 10286/11093=2...(9) Peak 903 from aliabs.peaks (4.17, 2.80, 41.76 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.96: HB2 SER 44 + HB3 ASP 41 OK 68 89 - 77 - 897/1.8=12, 895/3.0=12...(21) * HA PHE 38 + HB3 ASP 41 OK 66 100 - 67 - 797=35, 796/1.8=19...(9) HB3 SER 44 + HB3 ASP 41 OK 65 85 - 76 - 897/1.8=12, 895/3.0=11...(21) HA GLU 120 - HB3 ASP 41 lone 6 98 - 6 - ~7480=1, 897/1.8=1 HA LEU 64 - HB3 ASP 41 lone 5 85 - 6 - 6303/4.5=1, 897/1.8=1 HA LYS 76 - HB3 ASP 41 lone 2 72 - 3 - HA CYS 121 - HB3 ASP 41 lone 2 96 - 2 - HA3 GLY 125 - HB3 ASP 41 lone 1 62 - 1 - Peak 904 from aliabs.peaks (7.38, 2.80, 41.76 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 41 + HB3 ASP 41 OK 100 100 - 100 - 3.8=100 H LYS 114 - HB3 ASP 41 OK 22 96 - 23 - 898/1.8=7, 889/3.0=7...(5) Peak 905 from aliabs.peaks (4.47, 2.80, 41.76 ppm; 4.02 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 41 + HB3 ASP 41 OK 100 100 - 100 - 3.0=100 HA SER 44 + HB3 ASP 41 OK 66 99 - 67 - ~894=12, 899/1.8=10...(22) HA ASP 137 - HB3 ASP 41 OK 30 100 - 30 - 899/1.8=5, 5.0/4601=4...(16) HA SER 103 - HB3 ASP 41 lone 7 100 - 7 - 899/1.8=1, ~7211=1 HA3 GLY 31 - HB3 ASP 41 lone 4 98 - 4 - Peak 906 from aliabs.peaks (2.77, 2.80, 41.76 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 41 + HB3 ASP 41 OK 100 100 - 100 - 1.8=100 HB2 PHE 38 - HB3 ASP 41 OK 21 96 - 21 - 3.0/797=7, ~796=3...(8) HE2 LYS 114 - HB3 ASP 41 poor 9 89 - 11 - 901=2, 6298/3.8=2, 891/3.0=2 HB3 TYR 119 - HB3 ASP 41 lone 8 89 - 9 - 4.5/10747=3, 6309/4.5=1 HB3 ASP 137 - HB3 ASP 41 lone 5 68 - 7 - 3.0/905=2 HG3 GLN 111 - HB3 ASP 41 lone 3 77 - 3 - HE3 LYS 76 - HB3 ASP 41 lone 2 81 - 3 - Peak 907 from aliabs.peaks (2.80, 2.80, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 41 + HB3 ASP 41 OK 100 100 - 100 Peak 908 from aliabs.peaks (8.64, 2.80, 41.76 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 ASP 41 OK 100 100 - 100 - 4.5=100 H LEU 69 - HB3 ASP 41 OK 13 98 - 13 - 6300/3.8=5, 893/3.0=4...(4) Peak 909 from aliabs.peaks (8.64, 3.47, 57.80 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 - 100 - 2.9=100 H LEU 69 + HA LEU 42 OK 74 98 - 76 - 946/3.9=16, 909=16...(13) Peak 910 from aliabs.peaks (3.47, 3.47, 57.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 912 from aliabs.peaks (0.87, 3.47, 57.80 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 QG2 ILE 83 + HA LEU 42 OK 78 99 - 79 - 957/3.8=14, 949/3.9=13...(21) QD1 LEU 64 + HA LEU 42 OK 70 100 - 70 - 957/3.8=13, 949/3.9=12...(15) Peak 913 from aliabs.peaks (0.82, 3.47, 57.80 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.7=100 QD1 LEU 95 + HA LEU 42 OK 82 99 - 83 - 958/3.8=23, 925/3.0=23...(10) Peak 914 from aliabs.peaks (0.55, 3.47, 57.80 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.9=100 QD1 ILE 58 - HA LEU 42 OK 25 96 - 26 - 935/3.0=8, 959/3.8=7...(6) Peak 915 from aliabs.peaks (0.35, 3.47, 57.80 ppm; 5.56 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.8=100 QD1 ILE 91 - HA LEU 42 OK 41 94 - 43 - 952/3.9=14, 936/3.0=10...(7) HG2 LYS 123 - HA LEU 42 OK 25 85 - 29 - 11607/8165=10, 952/3.9=5...(6) Peak 918 from aliabs.peaks (3.53, 3.47, 57.80 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.89: * HB2 PHE 45 + HA LEU 42 OK 88 100 - 88 - 1022=48, 1.8/919=44...(10) HA2 GLY 77 + HA LEU 42 OK 12 94 - 12 - 918=5, 1034/919=3...(4) HD3 PRO 52 - HA LEU 42 lone 4 68 - 6 - 11210/6343=4, 1034/919=1 Peak 919 from aliabs.peaks (3.45, 3.47, 57.80 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.82: * HB3 PHE 45 + HA LEU 42 OK 82 100 - 82 - 1.8/918=38, 1031=28...(17) Peak 923 from aliabs.peaks (-0.19, -0.19, 40.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 924 from aliabs.peaks (0.87, -0.19, 40.39 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 1.8=100 QG2 ILE 83 + HB2 LEU 42 OK 87 99 - 88 - ~10016=17, 957/3.1=14...(27) QD1 LEU 64 + HB2 LEU 42 OK 80 100 - 80 - ~8156=21, 957/3.1=13...(18) Peak 925 from aliabs.peaks (0.82, -0.19, 40.39 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 QD1 LEU 95 + HB2 LEU 42 OK 97 99 - 98 - 11431=24, 958/3.1=23...(25) Peak 926 from aliabs.peaks (0.55, -0.19, 40.39 ppm; 6.03 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.2=100 QD1 ILE 58 + HB2 LEU 42 OK 58 96 - 60 - 935/1.8=14, 959/3.1=11...(11) Peak 927 from aliabs.peaks (0.35, -0.19, 40.39 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 ILE 91 + HB2 LEU 42 OK 87 94 - 92 - ~8145=22, ~8154=22...(22) HG2 LYS 123 - HB2 LEU 42 OK 42 85 - 48 - 936/1.8=8, 915/3.0=7...(11) Peak 932 from aliabs.peaks (-0.19, 0.87, 40.39 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 1.8=100 Peak 933 from aliabs.peaks (0.87, 0.87, 40.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 Peak 934 from aliabs.peaks (0.82, 0.87, 40.39 ppm; 2.50 A): 2 out of 2 assignments used, quality = 0.84: * HG LEU 42 + HB3 LEU 42 OK 69 100 - 69 - 3.0=59, ~914=6, ~947=6...(8) QD1 LEU 95 + HB3 LEU 42 OK 47 99 - 48 - 941=12, 925/1.8=9...(19) Peak 935 from aliabs.peaks (0.55, 0.87, 40.39 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.2=100 QD1 ILE 58 - HB3 LEU 42 OK 39 96 - 41 - 959/3.1=8, 914/3.0=6...(12) Peak 936 from aliabs.peaks (0.35, 0.87, 40.39 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 ILE 91 + HB3 LEU 42 OK 87 94 - 92 - ~8145=22, ~8154=22...(23) HG2 LYS 123 - HB3 LEU 42 OK 42 85 - 49 - 927/1.8=8, 915/3.0=7...(11) Peak 938 from aliabs.peaks (8.64, 0.82, 26.83 ppm; 4.51 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 94 100 - 94 - 5.1=69, 6316/2.1=32...(11) H LEU 42 + QD1 LEU 95 OK 63 95 - 66 - 6314=19, 3.8/934=17...(9) H LEU 69 + HG LEU 42 OK 55 98 - 56 - 946/2.1=13, 909/3.7=9...(12) H LEU 69 + QD1 LEU 95 OK 48 91 - 53 - 8466/2.1=13, 4.0/8470=6...(16) Peak 941 from aliabs.peaks (0.87, 0.82, 26.83 ppm; 2.50 A): 5 out of 6 assignments used, quality = 0.95: * HB3 LEU 42 + HG LEU 42 OK 69 100 - 69 - 3.0=59, ~914=6, ~947=6...(7) HB3 LEU 42 + QD1 LEU 95 OK 50 95 - 53 - 934=20, 1.8/925=9...(19) QG2 ILE 83 + QD1 LEU 95 OK 37 92 - 40 - 2516/2.1=4, 3.2/9067=4...(17) QG2 ILE 83 + HG LEU 42 OK 25 99 - 26 - 949/2.1=4, 957/2.1=4...(9) QD1 LEU 64 + HG LEU 42 OK 25 100 - 25 - 2.1/9074=4, ~8156=4...(8) QD1 LEU 64 - QD1 LEU 95 poor 10 95 - 10 - 2.1/9074=2, 9027/9074=1 Peak 942 from aliabs.peaks (0.82, 0.82, 26.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 QD1 LEU 95 + QD1 LEU 95 OK 92 92 - 100 Peak 943 from aliabs.peaks (0.55, 0.82, 26.83 ppm; 4.23 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 + QD1 LEU 95 OK 86 95 - 90 - 950=22, 2.1/958=19...(24) QD1 ILE 58 + HG LEU 42 OK 51 96 - 53 - 959/2.1=10, 2.1/10117=9...(12) QD1 ILE 58 - QD1 LEU 95 OK 21 89 - 23 - 2.1/10117=4, 2.1/10117=3...(10) Peak 944 from aliabs.peaks (0.35, 0.82, 26.83 ppm; 4.20 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 + QD1 LEU 95 OK 85 95 - 90 - 958=23, 2.1/950=19...(24) QD1 ILE 91 + HG LEU 42 OK 70 94 - 75 - 952/2.1=14, ~8154=11...(25) QD1 ILE 91 - QD1 LEU 95 OK 29 86 - 34 - ~11031=4, ~11032=4...(10) HG2 LYS 123 - HG LEU 42 OK 25 85 - 30 - 952/2.1=5, ~4144=4...(11) HG2 LYS 123 - QD1 LEU 95 lone 5 77 - 6 - Peak 946 from aliabs.peaks (8.64, 0.55, 22.76 ppm; 4.51 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 4.4=100 H LEU 69 + QD1 LEU 42 OK 53 98 - 55 - 946=17, 5.0/8143=10...(10) Peak 947 from aliabs.peaks (3.47, 0.55, 22.76 ppm; 3.55 A): 1 out of 1 assignment used, quality = 0.91: * HA LEU 42 + QD1 LEU 42 OK 91 100 - 91 - 3.9=75, 3.6/6329=18...(17) Peak 948 from aliabs.peaks (-0.19, 0.55, 22.76 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.2=100 Peak 949 from aliabs.peaks (0.87, 0.55, 22.76 ppm; 3.51 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.2=100 QG2 ILE 83 + QD1 LEU 42 OK 52 99 - 52 - 2.1/10016=10, 957/2.1=8...(22) QD1 LEU 64 + QD1 LEU 42 OK 48 100 - 48 - ~8156=9, 949=9...(17) Peak 950 from aliabs.peaks (0.82, 0.55, 22.76 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 95 + QD1 LEU 42 OK 77 99 - 78 - 950=21, 958/2.1=13...(23) Peak 951 from aliabs.peaks (0.55, 0.55, 22.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 Peak 952 from aliabs.peaks (0.35, 0.55, 22.76 ppm; 3.17 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 91 + QD1 LEU 42 OK 50 94 - 53 - 3.2/8147=6, ~8154=6...(21) HG2 LYS 123 - QD1 LEU 42 OK 20 85 - 23 - 9434/9433=3...(11) Peak 955 from aliabs.peaks (3.47, 0.35, 25.42 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.8=100 Peak 956 from aliabs.peaks (-0.19, 0.35, 25.42 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 Peak 957 from aliabs.peaks (0.87, 0.35, 25.42 ppm; 3.92 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 QG2 ILE 83 + QD2 LEU 42 OK 62 99 - 63 - 949/2.1=10, ~10016=9...(30) QD1 LEU 64 + QD2 LEU 42 OK 58 100 - 58 - 2.1/8156=18, 949/2.1=10...(17) Peak 958 from aliabs.peaks (0.82, 0.35, 25.42 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 95 + QD2 LEU 42 OK 88 99 - 89 - 958=23, 950/2.1=19...(24) Peak 959 from aliabs.peaks (0.55, 0.35, 25.42 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 58 - QD2 LEU 42 OK 29 96 - 30 - 935/3.1=5, 943/2.1=4...(10) Peak 960 from aliabs.peaks (0.35, 0.35, 25.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 963 from aliabs.peaks (4.20, 4.20, 61.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 43 + HA PHE 43 OK 100 100 - 100 Peak 964 from aliabs.peaks (2.69, 4.20, 61.03 ppm; 5.48 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 43 + HA PHE 43 OK 100 100 - 100 - 3.0=100 HB2 ASP 137 + HA PHE 43 OK 70 89 - 79 - 985/3.0=14, 1.8/965=12...(21) HB3 TYR 115 - HA PHE 43 OK 34 99 - 34 - ~3842=5, 985/3.0=4...(12) HB2 ASP 32 - HA PHE 43 OK 14 94 - 14 - 4569/3.1=2, 985/3.0=2...(8) Peak 965 from aliabs.peaks (2.74, 4.20, 61.03 ppm; 4.29 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + HA PHE 43 OK 100 100 - 100 - 3.0=100 HB3 ASP 40 + HA PHE 43 OK 45 92 - 50 - ~875=10, ~875=10...(14) HB3 ASP 137 - HA PHE 43 OK 44 72 - 61 - 1.8/964=10, ~985=7...(21) HG3 MET 113 - HA PHE 43 OK 25 100 - 26 - 3.0/971=7, 977/3.0=3...(12) HB3 ASP 16 - HA PHE 43 OK 13 100 - 13 - ~157=2, 977/3.0=2, 964=2...(7) HE2 LYS 76 - HA PHE 43 poor 10 81 - 12 - 977/3.0=1, 6347/3.6=1 HB2 ASN 96 - HA PHE 43 lone 8 100 - 8 - 977/3.0=1 HE3 LYS 76 - HA PHE 43 poor 7 57 - 11 - HB2 ASN 54 - HA PHE 43 lone 5 100 - 5 - Peak 971 from aliabs.peaks (2.19, 4.20, 61.03 ppm; 4.94 A): 2 out of 5 assignments used, quality = 0.75: * HB2 MET 46 + HA PHE 43 OK 65 100 - 65 - 1.8/972=24, 4.0/970=21...(7) HB2 MET 113 + HA PHE 43 OK 30 100 - 30 - 3.0/965=4, 3694/3.0=3...(16) HB3 PRO 57 - HA PHE 43 lone 10 100 - 10 - 10587/970=2, 1060/972=1 HB3 LYS 86 - HA PHE 43 lone 6 92 - 7 - 4.6/8905=4 HG2 GLU 75 - HA PHE 43 lone 6 89 - 7 - 1060/972=1, 6386/970=1 Peak 972 from aliabs.peaks (2.72, 4.20, 61.03 ppm; 4.29 A): 4 out of 6 assignments used, quality = 0.67: * HB3 MET 46 + HA PHE 43 OK 52 100 - 52 - 1.8/971=17, 4.0/970=16...(7) HB3 CYS 121 + HA PHE 43 OK 14 62 - 22 - 4.1/970=6, 1.8/4048=3...(9) HB3 TYR 70 + HA PHE 43 OK 13 99 - 13 - 3.6/6700=4, 4.4/6718=3, ~6320=3 HB3 GLU 120 + HA PHE 43 OK 10 100 - 10 - 4.6/970=5, 6387/970=1 HB3 ASP 13 - HA PHE 43 lone 10 100 - 9 - 964=2, 6332/2.8=1, 6346/3.6=1 HB2 ASN 84 - HA PHE 43 lone 5 100 - 5 - 8852/10114=1 Peak 976 from aliabs.peaks (2.69, 2.69, 36.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 43 + HB2 PHE 43 OK 100 100 - 100 Peak 977 from aliabs.peaks (2.74, 2.69, 36.36 ppm; 3.82 A): 1 out of 9 assignments used, quality = 1.00: * HB3 PHE 43 + HB2 PHE 43 OK 100 100 - 100 - 1.8=100 HB3 ASP 137 - HB2 PHE 43 OK 43 72 - 60 - ~985=8, ~985=8, ~4655=7...(21) HB3 ASP 40 - HB2 PHE 43 OK 42 92 - 46 - 3.0/875=17, ~10488=8...(13) HG3 MET 113 - HB2 PHE 43 OK 21 100 - 22 - ~971=3, 965/3.0=2...(11) HB3 ASP 16 - HB2 PHE 43 OK 12 100 - 12 - ~157=2, ~152=1...(7) HE2 LYS 76 - HB2 PHE 43 lone 8 81 - 10 - HB2 ASN 96 - HB2 PHE 43 lone 7 100 - 7 - HB2 ASN 54 - HB2 PHE 43 lone 6 100 - 6 - 876/875=2 HE3 LYS 76 - HB2 PHE 43 lone 5 57 - 9 - Peak 984 from aliabs.peaks (4.20, 2.74, 36.36 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA PHE 43 + HB3 PHE 43 OK 100 100 - 100 - 3.0=100 HA PHE 67 + HB3 PHE 43 OK 49 98 - 50 - 11211/2.7=12, ~1934=9...(8) HA ALA 134 - HB3 PHE 43 OK 39 62 - 62 - ~11632=33, ~10323=12...(14) HA TRP 88 - HB3 PHE 43 lone 8 81 - 9 - ~2840=2, ~2830=2, 4814/2.7=2 HA ILE 101 - HB3 PHE 43 poor 6 62 - 10 - 6331/3.8=1, 6345/4.5=1 Peak 985 from aliabs.peaks (2.69, 2.74, 36.36 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 43 + HB3 PHE 43 OK 100 100 - 100 - 1.8=100 HB2 ASP 137 + HB3 PHE 43 OK 52 89 - 59 - 4655=9, 3.0/4646=7...(21) HB3 TYR 115 - HB3 PHE 43 OK 16 99 - 17 - ~3842=2, 964/3.0=2...(8) HB2 ASP 32 - HB3 PHE 43 lone 7 94 - 7 - ~420=1, ~420=1 Peak 986 from aliabs.peaks (2.74, 2.74, 36.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 43 + HB3 PHE 43 OK 100 100 - 100 Peak 992 from aliabs.peaks (4.46, 4.46, 61.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 44 + HA SER 44 OK 100 100 - 100 Peak 993 from aliabs.peaks (4.16, 4.46, 61.36 ppm; 3.04 A): 2 out of 8 assignments used, quality = 1.00: * HB2 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HB3 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HA PHE 38 - HA SER 44 lone 7 89 - 8 - 797/905=1 HA GLU 120 - HA SER 44 lone 6 99 - 6 - 6364/3.6=2 HA LYS 76 - HA SER 44 lone 5 99 - 5 - HA LEU 126 - HA SER 44 lone 2 81 - 2 - HA CYS 121 - HA SER 44 lone 1 62 - 2 - ~6355=1 HA3 GLY 125 - HA SER 44 lone 1 96 - 1 - Peak 994 from aliabs.peaks (4.16, 4.46, 61.36 ppm; 3.04 A): 2 out of 8 assignments used, quality = 1.00: * HB3 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HB2 SER 44 + HA SER 44 OK 100 100 - 100 - 3.0=100 HA PHE 38 - HA SER 44 lone 7 85 - 8 - 797/905=1 HA GLU 120 - HA SER 44 lone 6 98 - 6 - 6364/3.6=2 HA LYS 76 - HA SER 44 lone 5 100 - 5 - HA LEU 126 - HA SER 44 lone 2 85 - 2 - HA3 GLY 125 - HA SER 44 lone 1 98 - 1 - HA GLU 131 - HA SER 44 lone 0 62 - 1 - Peak 997 from aliabs.peaks (2.36, 4.46, 61.36 ppm; 3.87 A): 2 out of 5 assignments used, quality = 0.76: * HB2 GLN 47 + HA SER 44 OK 73 100 - 73 - 1099=22, 1.8/1109=18...(11) HG2 GLN 25 + HA SER 44 OK 12 68 - 17 - 1.8/9817=8, ~234=2...(5) HB2 PRO 98 - HA SER 44 lone 6 81 - 7 - 1112/1109=2, 6406/6395=2 HE2 LYS 123 - HA SER 44 lone 3 92 - 3 - 1112/1109=1 HG3 MET 11 - HA SER 44 lone 1 62 - 2 - Peak 998 from aliabs.peaks (2.33, 4.46, 61.36 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.73: * HB3 GLN 47 + HA SER 44 OK 73 100 - 73 - 1109=21, 1.8/1099=20...(10) HB2 PRO 98 - HA SER 44 lone 6 81 - 8 - 1103/1099=3, 6407/6395=2 HG2 GLU 142 - HA SER 44 lone 2 77 - 2 - HE2 LYS 123 - HA SER 44 lone 2 68 - 2 - Peak 999 from aliabs.peaks (4.47, 4.16, 62.77 ppm; 2.85 A): 4 out of 10 assignments used, quality = 1.00: HA SER 44 + HB2 SER 44 OK 89 99 - 90 - 3.0=84, 2.9/6352=10...(9) HA SER 44 + HB3 SER 44 OK 89 99 - 90 - 3.0=84, 2.9/6352=10...(9) HA ASP 41 + HB3 SER 44 OK 49 100 - 49 - 895=10, 894/3.9=10...(19) * HA ASP 41 + HB2 SER 44 OK 49 100 - 49 - 895=10, 894/3.9=10...(19) HA ASP 137 - HB2 SER 44 lone 8 100 - 8 - 6341/3.9=2, 6357/4.6=1 HA ASP 137 - HB3 SER 44 lone 8 99 - 8 - 6341/3.9=2, 6357/4.6=1 HA SER 103 - HB2 SER 44 lone 4 100 - 4 - HA SER 103 - HB3 SER 44 lone 4 100 - 4 - HA3 GLY 31 - HB2 SER 44 lone 1 98 - 1 - HA3 GLY 31 - HB3 SER 44 lone 1 98 - 1 - Peak 1001 from aliabs.peaks (4.46, 4.16, 62.77 ppm; 2.85 A): 4 out of 10 assignments used, quality = 1.00: * HA SER 44 + HB2 SER 44 OK 90 100 - 90 - 3.0=84, 2.9/6353=10...(9) HA SER 44 + HB3 SER 44 OK 90 100 - 90 - 3.0=84, 2.9/6353=10...(9) HA ASP 41 + HB2 SER 44 OK 48 99 - 48 - 895=10, 894/3.9=10...(19) HA ASP 41 + HB3 SER 44 OK 48 99 - 48 - 895=10, 894/3.9=10...(19) HA ASP 137 - HB2 SER 44 lone 7 94 - 8 - 6341/3.9=2, 6357/4.6=1 HA ASP 137 - HB3 SER 44 lone 7 94 - 8 - 6341/3.9=2, 6357/4.6=1 HA SER 103 - HB2 SER 44 lone 4 98 - 4 - HA SER 103 - HB3 SER 44 lone 4 98 - 4 - HA3 GLY 31 - HB2 SER 44 lone 1 89 - 1 - HA3 GLY 31 - HB3 SER 44 lone 1 88 - 1 - Peak 1002 from aliabs.peaks (4.16, 4.16, 62.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 Peak 1003 from aliabs.peaks (4.16, 4.16, 62.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 Reference assignment not found: HB3 SER 44 - HB2 SER 44 Peak 1005 from aliabs.peaks (4.47, 4.16, 62.77 ppm; 2.85 A): 4 out of 10 assignments used, quality = 1.00: HA SER 44 + HB3 SER 44 OK 89 99 - 90 - 3.0=84, 2.9/6352=10...(9) HA SER 44 + HB2 SER 44 OK 89 99 - 90 - 3.0=84, 2.9/6352=10...(9) * HA ASP 41 + HB3 SER 44 OK 48 100 - 48 - 895=10, 894/3.9=10...(19) HA ASP 41 + HB2 SER 44 OK 48 100 - 48 - 895=10, 894/3.9=10...(18) HA ASP 137 - HB3 SER 44 lone 8 100 - 8 - 6341/3.9=2, 6357/4.6=1 HA ASP 137 - HB2 SER 44 lone 7 99 - 8 - 6341/3.9=2, 6357/4.6=1 HA SER 103 - HB3 SER 44 lone 4 100 - 4 - HA SER 103 - HB2 SER 44 lone 4 100 - 4 - HA3 GLY 31 - HB3 SER 44 lone 1 98 - 1 - HA3 GLY 31 - HB2 SER 44 lone 1 98 - 1 - Peak 1007 from aliabs.peaks (4.46, 4.16, 62.77 ppm; 2.85 A): 4 out of 10 assignments used, quality = 1.00: * HA SER 44 + HB3 SER 44 OK 90 100 - 90 - 3.0=84, 2.9/6352=10...(9) HA SER 44 + HB2 SER 44 OK 90 100 - 90 - 3.0=84, 2.9/6352=10...(9) HA ASP 41 + HB3 SER 44 OK 47 99 - 48 - 895=10, 894/3.9=10...(19) HA ASP 41 + HB2 SER 44 OK 47 99 - 48 - 895=10, 894/3.9=10...(18) HA ASP 137 - HB3 SER 44 lone 7 94 - 8 - 6341/3.9=2, 6357/4.6=1 HA ASP 137 - HB2 SER 44 lone 7 94 - 8 - 6341/3.9=2, 6357/4.6=1 HA SER 103 - HB3 SER 44 lone 4 98 - 4 - HA SER 103 - HB2 SER 44 lone 4 98 - 4 - HA3 GLY 31 - HB3 SER 44 lone 1 89 - 1 - HA3 GLY 31 - HB2 SER 44 lone 1 88 - 1 - Peak 1008 from aliabs.peaks (4.16, 4.16, 62.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Reference assignment not found: HB2 SER 44 - HB3 SER 44 Peak 1009 from aliabs.peaks (4.16, 4.16, 62.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 44 + HB3 SER 44 OK 100 100 - 100 HB2 SER 44 + HB2 SER 44 OK 100 100 - 100 Peak 1011 from aliabs.peaks (8.80, 4.22, 60.96 ppm; 5.99 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 45 + HA PHE 45 OK 100 100 - 100 - 2.8=100 H PHE 45 + HA ILE 101 OK 63 92 - 69 - 3.5/1014=13, 3.0/1018=13...(18) Peak 1012 from aliabs.peaks (4.22, 4.22, 60.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PHE 45 + HA PHE 45 OK 100 100 - 100 HA ILE 101 + HA ILE 101 OK 87 87 - 100 Peak 1013 from aliabs.peaks (3.53, 4.22, 60.96 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 HB2 PHE 45 - HA ILE 101 OK 38 92 - 41 - 1.8/1014=10, 1024=7...(13) HA2 GLY 77 - HA PHE 45 OK 25 94 - 26 - 1034/3.0=6, 5581/3.1=5...(7) HD3 PRO 52 - HA PHE 45 poor 8 68 - 12 - ~1331=2, 1034/3.0=2...(7) HD3 PRO 52 - HA ILE 101 lone 2 57 - 4 - HA2 GLY 77 - HA ILE 101 lone 2 83 - 2 - Peak 1014 from aliabs.peaks (3.45, 4.22, 60.96 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 HB3 PHE 45 - HA ILE 101 OK 42 92 - 45 - 1.8/1013=9, 3.5/1011=8...(17) Peak 1015 from aliabs.peaks (7.22, 4.22, 60.96 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.1=100 QD PHE 45 - HA ILE 101 OK 35 92 - 38 - 2.4/1014=9, 2.4/1013=8...(13) H GLU 37 - HA PHE 45 OK 33 100 - 33 - 1027/3.0=7, 1036/3.0=6...(9) H GLU 37 - HA ILE 101 lone 7 91 - 8 - 4.4/9187=1 Peak 1018 from aliabs.peaks (8.55, 4.22, 60.96 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H MET 46 + HA PHE 45 OK 100 100 - 100 - 3.6=100 H MET 46 - HA ILE 101 OK 44 92 - 48 - 3.0/1011=12, 6379=10...(10) Peak 1020 from aliabs.peaks (1.87, 4.22, 60.96 ppm; 3.22 A): 6 out of 18 assignments used, quality = 0.71: * HB2 LYS 48 + HA PHE 45 OK 30 100 - 30 - 3.8/1019=11, 1148=7...(8) HB3 LYS 48 + HA PHE 45 OK 28 96 - 29 - 3.8/1019=11, 1160=6...(8) HB2 LYS 36 + HA PHE 45 OK 19 96 - 20 - 1160=3, ~704=2, ~657=2...(9) HB2 LYS 48 + HA ILE 101 OK 12 92 - 13 - 3.8/1019=3, 1148=3...(4) HB3 LYS 85 + HA PHE 45 OK 11 100 - 11 - 2594=3, 1.8/2582=1 HB3 LYS 48 + HA ILE 101 OK 11 85 - 12 - 3.8/1019=3, 1160=3...(4) HG LEU 69 - HA ILE 101 poor 9 77 - 12 - 2.1/9933=2, 2031/3.0=2...(5) HG LEU 69 - HA PHE 45 poor 9 89 - 10 - ~9880=5, 2.1/9933=4 HB3 LYS 85 - HA ILE 101 lone 7 90 - 8 - 2594=2, 1.8/2582=1 HB3 LEU 126 - HA ILE 101 lone 2 80 - 2 - HB2 LYS 36 - HA ILE 101 lone 2 85 - 2 - HB3 LYS 76 - HA PHE 45 lone 2 85 - 2 - HB3 LYS 76 - HA ILE 101 lone 2 73 - 2 - HB3 LEU 126 - HA PHE 45 lone 2 92 - 2 - HB2 ARG 144 - HA PHE 45 lone 1 100 - 1 - HB2 ARG 144 - HA ILE 101 lone 1 90 - 1 - HB3 GLU 28 - HA ILE 101 lone 1 69 - 1 - HB3 GLU 28 - HA PHE 45 lone 1 81 - 1 - Peak 1021 from aliabs.peaks (1.87, 4.22, 60.96 ppm; 3.22 A): 6 out of 18 assignments used, quality = 0.72: * HB3 LYS 48 + HA PHE 45 OK 30 100 - 30 - 3.8/1019=11, 1160=6...(8) HB2 LYS 48 + HA PHE 45 OK 28 96 - 30 - 3.8/1019=11, 1148=6...(8) HB2 LYS 36 + HA PHE 45 OK 20 100 - 20 - 1160=4, 671/3.1=3...(9) HB3 LYS 48 + HA ILE 101 OK 12 92 - 13 - 3.8/1019=3, 1160=3...(4) HB3 LYS 93 + HA ILE 101 OK 11 48 - 23 - 1.8/3023=4, 3035=2...(8) HB2 LYS 48 + HA ILE 101 OK 11 85 - 12 - 3.8/1019=3, 1148=3...(4) HB3 LYS 85 - HA PHE 45 poor 10 89 - 11 - 2594=2, 1.8/2582=1 HG LEU 69 - HA PHE 45 poor 6 62 - 10 - ~9880=5, 2.1/9933=4 HB3 LYS 93 - HA PHE 45 poor 6 57 - 10 - 1.8/3023=1 HB3 LYS 85 - HA ILE 101 lone 6 77 - 8 - 2594=1, 1.8/2582=1 HG LEU 69 - HA ILE 101 poor 6 52 - 11 - 2.1/9933=2, 3.0/3322=1...(4) HB2 LYS 36 - HA ILE 101 lone 2 92 - 2 - HB3 ARG 141 - HA ILE 101 lone 2 61 - 3 - HB2 ARG 144 - HA PHE 45 lone 1 100 - 1 - HB3 LEU 126 - HA ILE 101 lone 1 57 - 2 - HB3 LEU 126 - HA PHE 45 lone 1 68 - 1 - HB3 ARG 141 - HA PHE 45 lone 1 72 - 1 - HB2 ARG 144 - HA ILE 101 lone 1 90 - 1 - Peak 1022 from aliabs.peaks (3.47, 3.53, 38.81 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.88: * HA LEU 42 + HB2 PHE 45 OK 88 100 - 88 - 918=45, 919/1.8=44...(10) Peak 1024 from aliabs.peaks (4.22, 3.53, 38.81 ppm; 4.97 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.0=100 HA ILE 101 + HB2 PHE 45 OK 58 98 - 60 - 1014/1.8=14, 1013=11...(17) HA THR 102 - HB2 PHE 45 OK 30 100 - 30 - 1033/1.8=5, 6365/3.5=4...(16) HA LYS 93 - HB2 PHE 45 OK 18 98 - 18 - 6365/3.5=3, 1033/1.8=3...(7) HA LYS 85 - HB2 PHE 45 OK 15 72 - 20 - 1033/1.8=3, 6365/3.5=2...(12) HB THR 102 - HB2 PHE 45 OK 13 62 - 21 - ~1033=3, ~3379=2...(12) HA ALA 134 - HB2 PHE 45 lone 9 98 - 9 - 1033/1.8=2, 6379/4.4=1 HA PHE 67 - HB2 PHE 45 lone 5 62 - 8 - 6375/4.4=3, 6360/3.5=3 Peak 1025 from aliabs.peaks (3.53, 3.53, 38.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 45 + HB2 PHE 45 OK 100 100 - 100 Peak 1026 from aliabs.peaks (3.45, 3.53, 38.81 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 1.8=100 Peak 1027 from aliabs.peaks (7.22, 3.53, 38.81 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 2.4=100 H GLU 37 + HB2 PHE 45 OK 50 100 - 50 - 3.9/11225=22...(10) Peak 1031 from aliabs.peaks (3.47, 3.45, 38.81 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.93: * HA LEU 42 + HB3 PHE 45 OK 93 100 - 93 - 919=50, 1022/1.8=45...(17) Peak 1033 from aliabs.peaks (4.22, 3.45, 38.81 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.0=100 HA ILE 101 + HB3 PHE 45 OK 72 98 - 74 - 1011/3.5=16, 1014=15...(17) HA THR 102 - HB3 PHE 45 OK 45 100 - 45 - 1024/1.8=6, 5580/2.4=6...(18) HA LYS 93 - HB3 PHE 45 OK 27 98 - 27 - 5580/2.4=4, 6365/3.5=4...(12) HA LYS 85 - HB3 PHE 45 OK 22 72 - 31 - 5580/2.4=4, 1024/1.8=3...(13) HB THR 102 - HB3 PHE 45 OK 21 62 - 33 - ~1024=5, ~1024=5...(14) HA ALA 134 - HB3 PHE 45 OK 17 98 - 17 - 11046/11047=4...(9) HA PHE 67 - HB3 PHE 45 poor 8 62 - 13 - 6375/4.4=5, 6360/3.5=3...(4) Peak 1034 from aliabs.peaks (3.53, 3.45, 38.81 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 1.8=100 HA2 GLY 77 - HB3 PHE 45 OK 43 94 - 45 - 5581/2.4=11, ~2344=10...(8) HD3 PRO 52 - HB3 PHE 45 OK 18 68 - 26 - ~1331=6, ~1363=5...(8) Peak 1035 from aliabs.peaks (3.45, 3.45, 38.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 45 + HB3 PHE 45 OK 100 100 - 100 Peak 1036 from aliabs.peaks (7.22, 3.45, 38.81 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 2.4=100 H GLU 37 - HB3 PHE 45 OK 38 100 - 38 - 1027/1.8=13, 1015/3.0=8...(9) Peak 1040 from aliabs.peaks (8.55, 3.91, 56.95 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H MET 46 + HA MET 46 OK 100 100 - 100 - 2.9=100 Peak 1041 from aliabs.peaks (3.91, 3.91, 56.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 46 + HA MET 46 OK 100 100 - 100 Peak 1042 from aliabs.peaks (2.19, 3.91, 56.95 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HA MET 46 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HA MET 46 OK 51 100 - 52 - 10587/2.9=8, 1060/3.0=5...(23) HB2 MET 113 - HA MET 46 OK 43 100 - 43 - 4.7/10681=6, 1060/3.0=5...(17) HG2 GLU 75 - HA MET 46 OK 27 89 - 30 - 1060/3.0=4, 1084/5.2=4...(12) HB3 LYS 86 - HA MET 46 OK 21 92 - 22 - 2.9/11506=3, 1060/3.0=2...(9) Peak 1043 from aliabs.peaks (2.72, 3.91, 56.95 ppm; 5.08 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + HA MET 46 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HA MET 46 OK 58 100 - 58 - 4.6/1040=10, 1052/3.0=7...(17) HB3 CYS 121 - HA MET 46 OK 38 62 - 61 - 4.1/1040=11, ~4047=9...(14) HB3 TYR 70 - HA MET 46 OK 31 99 - 31 - ~2065=4, 1052/3.0=4...(13) HB2 ASN 84 - HA MET 46 OK 22 100 - 22 - ~2564=3, 1052/3.0=3...(10) HB3 ASP 13 - HA MET 46 OK 11 100 - 11 - 1085/5.2=4, 10688/4.1=1...(5) Peak 1044 from aliabs.peaks (2.40, 3.91, 56.95 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HG2 MET 46 + HA MET 46 OK 100 100 - 100 - 4.1=100 HB ILE 91 - HA MET 46 OK 40 96 - 42 - 6388/2.9=6, 6402/3.6=6...(11) HG2 MET 59 - HA MET 46 OK 29 100 - 29 - 1062/3.0=4, 1053/3.0=4...(11) HG3 MET 59 - HA MET 46 OK 29 100 - 29 - 1053/3.0=4, 1062/3.0=4...(11) HB3 PRO 118 - HA MET 46 OK 23 62 - 37 - ~9415=11, ~9415=8...(10) HG3 GLN 25 - HA MET 46 OK 20 100 - 19 - 1062/3.0=3, 1078/4.1=3...(9) Peak 1045 from aliabs.peaks (3.21, 3.91, 56.95 ppm; 5.24 A): 1 out of 10 assignments used, quality = 1.00: * HG3 MET 46 + HA MET 46 OK 100 100 - 100 - 4.1=100 HD3 ARG 140 - HA MET 46 OK 24 100 - 24 - 6403/3.6=7, 9795/2.9=5...(6) HD2 ARG 140 - HA MET 46 OK 24 100 - 24 - 8175/3.6=7, ~9795=5...(6) HB3 TYR 117 - HA MET 46 OK 23 100 - 23 - 1087/5.2=5, ~6374=4...(6) HA VAL 73 - HA MET 46 OK 18 68 - 26 - 9795/2.9=7, 3.0/1047=5...(8) HA LEU 39 - HA MET 46 OK 13 62 - 21 - 3.0/10501=7, 3.0/11506=6...(4) HD3 ARG 124 - HA MET 46 OK 11 92 - 12 - 10523/10389=5...(4) HD3 ARG 141 - HA MET 46 lone 9 92 - 9 - 6403/3.6=1, 9795/2.9=1...(5) HD2 ARG 141 - HA MET 46 lone 7 77 - 8 - 9795/2.9=1, 3.0/11505=1...(5) HD2 ARG 55 - HA MET 46 lone 3 72 - 5 - 10388/10389=2 Peak 1046 from aliabs.peaks (2.42, 3.91, 56.95 ppm; 4.15 A): 3 out of 8 assignments used, quality = 0.96: * QE MET 46 + HA MET 46 OK 88 100 - 88 - 5.2=50, 1082/2.9=28...(13) HG3 GLN 47 + HA MET 46 OK 46 100 - 46 - 4.9/6433=10, 6408/3.6=9...(12) HG2 GLN 47 + HA MET 46 OK 46 100 - 46 - 4.9/6433=10, 6408/3.6=9...(12) HB3 PRO 118 - HA MET 46 OK 37 94 - 39 - ~9415=11, ~9415=8...(10) HG3 GLN 133 - HA MET 46 OK 28 100 - 28 - 6404/3.6=4, 6390/2.9=4...(11) HG2 GLN 133 - HA MET 46 OK 27 100 - 27 - 6404/3.6=4, 6390/2.9=4...(11) HB3 PRO 33 - HA MET 46 lone 6 77 - 8 - 1072/4.1=1 HG2 MET 68 - HA MET 46 lone 4 89 - 5 - Peak 1050 from aliabs.peaks (3.91, 2.19, 31.74 ppm; 6.04 A): 3 out of 8 assignments used, quality = 1.00: * HA MET 46 + HB2 MET 46 OK 100 100 - 100 - 3.0=100 HA MET 46 + HB3 PRO 57 OK 77 98 - 79 - 2.9/10587=17, 1042=11...(25) HD3 PRO 98 + HB2 MET 46 OK 51 62 - 81 - ~10715=14, 1059/1.8=13...(19) HD2 PRO 129 - HB3 PRO 57 OK 21 69 - 31 - 1.8/4362=3, 3.6/4370=3...(12) HD3 PRO 98 - HB3 PRO 57 OK 12 59 - 21 - ~10113=6, ~9138=4...(6) HD2 PRO 129 - HB2 MET 46 OK 11 72 - 15 - 1083/4.2=4, ~11504=2, 1075/3.0=2 HA2 GLY 143 - HB3 PRO 57 lone 7 69 - 10 - 4869/3.9=4 HA2 GLY 143 - HB2 MET 46 lone 3 72 - 4 - 1083/4.2=1 Peak 1051 from aliabs.peaks (2.19, 2.19, 31.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 46 + HB2 MET 46 OK 100 100 - 100 HB3 PRO 57 + HB3 PRO 57 OK 98 98 - 100 Peak 1052 from aliabs.peaks (2.72, 2.19, 31.74 ppm; 6.15 A): 3 out of 12 assignments used, quality = 1.00: * HB3 MET 46 + HB2 MET 46 OK 100 100 - 100 - 1.8=100 HB3 MET 46 + HB3 PRO 57 OK 82 98 - 84 - 4.0/10587=15...(27) HB3 GLU 120 + HB2 MET 46 OK 69 100 - 69 - 4.6/10705=13, ~4017=10...(19) HB3 CYS 121 - HB2 MET 46 OK 42 62 - 67 - 4.1/10705=14, ~4045=11...(13) HB3 TYR 70 - HB2 MET 46 OK 41 99 - 42 - ~2065=6, 1043/3.0=5...(13) HB3 TYR 70 - HB3 PRO 57 OK 32 96 - 33 - ~10591=21, ~1485=4...(5) HB2 ASN 84 - HB2 MET 46 OK 31 100 - 31 - ~2564=4, ~2548=4...(10) HB2 ASN 84 - HB3 PRO 57 OK 22 98 - 22 - 4.7/10587=10, ~10044=2...(5) HB3 ASP 13 - HB2 MET 46 OK 21 100 - 21 - 1085/4.2=6, ~111=3...(9) HB3 GLU 120 - HB3 PRO 57 OK 19 98 - 19 - 4.6/10587=9, ~4012=3 HB3 CYS 121 - HB3 PRO 57 poor 9 59 - 15 - 4.1/10587=9, 6387/10587=1 HB3 ASP 13 - HB3 PRO 57 lone 9 97 - 9 - 11241/10589=3, 8024/8265=1 Peak 1053 from aliabs.peaks (2.40, 2.19, 31.74 ppm; 4.06 A): 3 out of 12 assignments used, quality = 1.00: * HG2 MET 46 + HB2 MET 46 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB2 MET 46 OK 60 96 - 62 - 1086/4.2=8, 1062/1.8=7...(23) HG2 MET 46 + HB3 PRO 57 OK 54 98 - 55 - 1068=7, 3.3/1084=6...(23) HG2 MET 59 - HB2 MET 46 OK 37 100 - 37 - 1062/1.8=4, 1044/3.0=4...(12) HG3 MET 59 - HB2 MET 46 OK 37 100 - 37 - 1062/1.8=4, 1044/3.0=3...(12) HG3 GLN 25 - HB2 MET 46 OK 30 100 - 30 - 1062/1.8=4, 1078/3.0=3...(10) HB3 PRO 118 - HB2 MET 46 OK 29 62 - 46 - ~9415=14, ~9415=10...(16) HB ILE 91 - HB3 PRO 57 OK 16 93 - 17 - 3.0/8266=3, ~8981=1...(6) HG3 MET 59 - HB3 PRO 57 OK 15 98 - 15 - 1628/2.3=2, ~1604=1...(7) HG2 MET 59 - HB3 PRO 57 OK 14 98 - 15 - 1620/2.3=2, ~1604=1...(7) HG3 GLN 25 - HB3 PRO 57 OK 10 98 - 11 - 8361/9873=2, 8360/9830=2 HB3 PRO 118 - HB3 PRO 57 lone 3 59 - 5 - Peak 1055 from aliabs.peaks (2.42, 2.19, 31.74 ppm; 4.05 A): 4 out of 16 assignments used, quality = 1.00: * QE MET 46 + HB2 MET 46 OK 98 100 - 98 - 4.2=92, 1085/1.8=27...(11) HB3 PRO 33 + HB3 PRO 57 OK 63 73 - 86 - 2.3/1521=12, ~11514=12...(34) HG3 GLN 47 + HB2 MET 46 OK 45 100 - 46 - 4.9/6400=11, 6390/4.0=5...(14) HG2 GLN 47 + HB2 MET 46 OK 45 100 - 46 - 4.9/6400=11, 6390/4.0=5...(14) HB3 PRO 118 - HB2 MET 46 OK 44 94 - 47 - ~9415=14, ~9415=10...(16) QE MET 46 - HB3 PRO 57 OK 40 98 - 40 - 1084=9, 8171/10589=5...(10) HG2 GLN 133 - HB2 MET 46 OK 30 100 - 30 - 1064/1.8=4, 1119/4.6=3...(14) HG3 GLN 133 - HB2 MET 46 OK 30 100 - 30 - 1064/1.8=4, 1119/4.6=3...(14) HG2 MET 68 - HB3 PRO 57 OK 11 85 - 13 - 9913/8513=1 HB3 PRO 33 - HB2 MET 46 poor 10 77 - 13 - ~10715=4, 2.3/1521=1...(5) HG2 MET 68 - HB2 MET 46 lone 5 89 - 6 - HG2 GLN 47 - HB3 PRO 57 lone 5 97 - 5 - 4.9/6400=2 HG3 GLN 47 - HB3 PRO 57 lone 5 97 - 5 - 4.9/6400=2 HB3 PRO 118 - HB3 PRO 57 lone 5 91 - 5 - HG3 GLN 133 - HB3 PRO 57 lone 5 98 - 5 - HG2 GLN 133 - HB3 PRO 57 lone 4 98 - 4 - Peak 1060 from aliabs.peaks (2.19, 2.72, 31.74 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HB3 MET 46 OK 100 100 - 100 - 1.8=100 HB3 PRO 57 + HB3 MET 46 OK 86 100 - 87 - 10587/4.0=18...(28) HB2 MET 113 + HB3 MET 46 OK 70 100 - 71 - 1042/3.0=10, 1076/3.0=9...(15) HG2 GLU 75 + HB3 MET 46 OK 51 89 - 58 - 1084/4.2=9, 1076/3.0=9...(14) HB3 LYS 86 - HB3 MET 46 OK 38 92 - 40 - 1042/3.0=4, ~11506=4...(20) Peak 1061 from aliabs.peaks (2.72, 2.72, 31.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 46 + HB3 MET 46 OK 100 100 - 100 Peak 1062 from aliabs.peaks (2.40, 2.72, 31.74 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: * HG2 MET 46 + HB3 MET 46 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB3 MET 46 OK 66 96 - 69 - 1086/4.2=9, 1053/1.8=8...(24) HG3 MET 59 - HB3 MET 46 OK 40 100 - 40 - 1053/1.8=5, 1044/3.0=4...(16) HG2 MET 59 - HB3 MET 46 OK 40 100 - 40 - 1053/1.8=5, 1044/3.0=4...(16) HG3 GLN 25 - HB3 MET 46 OK 36 100 - 35 - 1078/3.0=4, 1086/4.2=4...(16) HB3 PRO 118 - HB3 MET 46 OK 31 62 - 50 - 2.3/9415=21, 1072/3.0=5...(17) Peak 1064 from aliabs.peaks (2.42, 2.72, 31.74 ppm; 4.26 A): 4 out of 8 assignments used, quality = 1.00: * QE MET 46 + HB3 MET 46 OK 100 100 - 100 - 4.2=100 HG3 GLN 47 + HB3 MET 46 OK 48 100 - 48 - 4.9/6401=10, 6390/4.0=6...(14) HG2 GLN 47 + HB3 MET 46 OK 48 100 - 48 - 4.9/6401=10, 6390/4.0=6...(14) HB3 PRO 118 + HB3 MET 46 OK 46 94 - 49 - 2.3/9415=20, 1072/3.0=6...(15) HG3 GLN 133 - HB3 MET 46 OK 33 100 - 33 - 1055/1.8=4, 1119/4.6=3...(15) HG2 GLN 133 - HB3 MET 46 OK 33 100 - 33 - 1055/1.8=4, 1128/4.6=3...(15) HB3 PRO 33 - HB3 MET 46 OK 11 77 - 14 - ~10715=4, 4.3/8092=2...(5) HG2 MET 68 - HB3 MET 46 lone 5 89 - 6 - Peak 1070 from aliabs.peaks (2.40, 2.40, 34.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 46 + HG2 MET 46 OK 100 100 - 100 Peak 1071 from aliabs.peaks (3.21, 2.40, 34.70 ppm; 5.72 A): 1 out of 10 assignments used, quality = 1.00: * HG3 MET 46 + HG2 MET 46 OK 100 100 - 100 - 1.8=100 HB3 TYR 117 - HG2 MET 46 OK 38 100 - 38 - ~8171=8, 1087/3.3=7...(8) HD3 ARG 140 - HG2 MET 46 OK 37 100 - 37 - 1087/3.3=5, 9795/5.1=4...(14) HD2 ARG 140 - HG2 MET 46 OK 35 100 - 34 - 1087/3.3=4, ~1087=4...(13) HA VAL 73 - HG2 MET 46 OK 32 68 - 47 - ~10689=11, 8151/10708=8...(13) HD3 ARG 124 - HG2 MET 46 OK 14 92 - 15 - 1045/4.1=2, 1087/3.3=2...(8) HA LEU 39 - HG2 MET 46 poor 8 62 - 13 - ~6258=3, 9820/4.1=3...(5) HD3 ARG 141 - HG2 MET 46 lone 7 92 - 7 - 1045/4.1=1, 9795/5.1=1 HD2 ARG 141 - HG2 MET 46 lone 6 77 - 7 - 9820/4.1=1, 9795/5.1=1 HD2 ARG 55 - HG2 MET 46 lone 4 72 - 5 - Peak 1072 from aliabs.peaks (2.42, 2.40, 34.70 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * QE MET 46 + HG2 MET 46 OK 100 100 - 100 - 3.3=100 HB3 PRO 118 - HG2 MET 46 OK 42 94 - 45 - ~9415=8, ~9415=6...(19) HG3 GLN 47 - HG2 MET 46 OK 35 100 - 36 - 4.9/6402=9, 1080/1.8=4...(12) HG2 GLN 47 - HG2 MET 46 OK 35 100 - 36 - 4.9/6402=9, 1080/1.8=4...(12) HG3 GLN 133 - HG2 MET 46 OK 22 100 - 22 - 1080/1.8=3, 1055/3.0=2...(11) HG2 GLN 133 - HG2 MET 46 OK 21 100 - 21 - 1080/1.8=3, 1055/3.0=2...(11) HB3 PRO 33 - HG2 MET 46 OK 11 77 - 14 - 1.8/10715=5, ~10489=2 HG2 MET 68 - HG2 MET 46 lone 5 89 - 6 - Peak 1075 from aliabs.peaks (3.91, 3.21, 34.70 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 46 + HG3 MET 46 OK 100 100 - 100 - 4.1=100 HD3 PRO 98 - HG3 MET 46 OK 35 62 - 56 - ~10715=19, 1059/3.0=13...(7) HD2 PRO 129 - HG3 MET 46 poor 7 72 - 10 - 1083/3.3=4, 1050/3.0=2 HA2 GLY 143 - HG3 MET 46 lone 4 72 - 5 - 1083/3.3=1 Peak 1076 from aliabs.peaks (2.19, 3.21, 34.70 ppm; 5.20 A): 4 out of 5 assignments used, quality = 1.00: * HB2 MET 46 + HG3 MET 46 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HG3 MET 46 OK 69 100 - 69 - 10587/5.1=10, 1068/1.8=8...(24) HB2 MET 113 + HG3 MET 46 OK 54 100 - 54 - 1068/1.8=8, 1060/3.0=8...(14) HG2 GLU 75 + HG3 MET 46 OK 46 89 - 51 - ~10689=13, 1084/3.3=9...(15) HB3 LYS 86 - HG3 MET 46 OK 23 92 - 24 - 1042/4.1=3, 1084/3.3=3...(12) Peak 1077 from aliabs.peaks (2.72, 3.21, 34.70 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 46 + HG3 MET 46 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HG3 MET 46 OK 70 100 - 70 - 4.6/1074=15, 1069/1.8=10...(17) HB3 CYS 121 - HG3 MET 46 OK 45 62 - 72 - 4.1/1074=16...(16) HB3 TYR 70 - HG3 MET 46 OK 44 99 - 44 - ~2065=6, 1069/1.8=5...(13) HB2 ASN 84 - HG3 MET 46 OK 33 100 - 33 - ~2564=4, 1069/1.8=4...(10) HB3 ASP 13 - HG3 MET 46 OK 25 100 - 25 - ~10488=7, 1085/3.3=7...(8) Peak 1078 from aliabs.peaks (2.40, 3.21, 34.70 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: * HG2 MET 46 + HG3 MET 46 OK 100 100 - 100 - 1.8=100 HB ILE 91 + HG3 MET 46 OK 78 96 - 82 - ~10700=14, 1086/3.3=11...(30) HG3 GLN 25 - HG3 MET 46 OK 40 100 - 40 - 1086/3.3=4, ~223=4...(20) HG3 MET 59 - HG3 MET 46 OK 39 100 - 39 - 1062/3.0=4, 1053/3.0=4...(23) HG2 MET 59 - HG3 MET 46 OK 39 100 - 39 - 1062/3.0=4, 1053/3.0=4...(23) HB3 PRO 118 - HG3 MET 46 OK 34 62 - 55 - ~9415=13, ~9415=9...(22) Peak 1079 from aliabs.peaks (3.21, 3.21, 34.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 46 + HG3 MET 46 OK 100 100 - 100 Peak 1080 from aliabs.peaks (2.42, 3.21, 34.70 ppm; 4.56 A): 4 out of 8 assignments used, quality = 1.00: * QE MET 46 + HG3 MET 46 OK 100 100 - 100 - 3.3=100 HB3 PRO 118 + HG3 MET 46 OK 54 94 - 57 - ~9415=13, ~9415=9...(19) HG3 GLN 47 + HG3 MET 46 OK 47 100 - 47 - 4.9/6403=8, 1072/1.8=6...(12) HG2 GLN 47 + HG3 MET 46 OK 47 100 - 47 - 4.9/6403=8, 1072/1.8=6...(12) HG3 GLN 133 - HG3 MET 46 OK 30 100 - 30 - 1072/1.8=4, 1064/3.0=4...(11) HG2 GLN 133 - HG3 MET 46 OK 30 100 - 30 - 1072/1.8=4, 1064/3.0=4...(11) HB3 PRO 33 - HG3 MET 46 OK 15 77 - 20 - ~10715=6, ~10489=3...(5) HG2 MET 68 - HG3 MET 46 lone 7 89 - 8 - Peak 1082 from aliabs.peaks (8.55, 2.42, 18.74 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.89: * H MET 46 + QE MET 46 OK 89 100 - 89 - 5.9=43, 2.9/1083=26...(20) Peak 1083 from aliabs.peaks (3.91, 2.42, 18.74 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.90: * HA MET 46 + QE MET 46 OK 88 100 - 88 - 5.2=49, 2.9/1082=28...(13) HD3 PRO 98 + QE MET 46 OK 16 62 - 25 - ~10715=6, 1059/4.2=4...(7) HD2 PRO 129 - QE MET 46 poor 10 72 - 13 - 4.8/10697=8, 7621/10687=1 HA2 GLY 143 - QE MET 46 lone 3 72 - 4 - Peak 1084 from aliabs.peaks (2.19, 2.42, 18.74 ppm; 3.49 A): 5 out of 5 assignments used, quality = 0.93: * HB2 MET 46 + QE MET 46 OK 83 100 - 83 - 4.2=59, 1.8/1085=22...(8) HB3 PRO 57 + QE MET 46 OK 29 100 - 29 - 10589/8171=4, 1068/3.3=3...(8) HG2 GLU 75 + QE MET 46 OK 27 89 - 30 - 3.0/10689=14...(8) HB2 MET 113 + QE MET 46 OK 15 100 - 15 - 1068/3.3=3, 1060/4.2=3...(5) HB3 LYS 86 + QE MET 46 OK 10 92 - 11 - 4.6/10479=2...(5) Peak 1085 from aliabs.peaks (2.72, 2.42, 18.74 ppm; 3.68 A): 4 out of 6 assignments used, quality = 0.94: * HB3 MET 46 + QE MET 46 OK 88 100 - 88 - 4.2=68, 1.8/1084=21...(8) HB3 ASP 13 + QE MET 46 OK 22 100 - 22 - 4.5/10685=6, 3.0/10488=5...(6) HB3 GLU 120 + QE MET 46 OK 19 100 - 19 - 4.6/1082=5, 1052/4.2=3...(6) HB3 CYS 121 + QE MET 46 OK 15 62 - 24 - 4.1/1082=6, 3.0/10486=4...(8) HB3 TYR 70 - QE MET 46 lone 9 99 - 9 - 1077/3.3=2, 1052/4.2=2...(4) HB2 ASN 84 - QE MET 46 lone 9 100 - 9 - 1077/3.3=1, 1052/4.2=1 Peak 1086 from aliabs.peaks (2.40, 2.42, 18.74 ppm; 2.50 A): 4 out of 6 assignments used, quality = 0.80: * HG2 MET 46 + QE MET 46 OK 60 100 - 60 - 3.3=44, 3.0/1085=8...(6) HB ILE 91 + QE MET 46 OK 35 96 - 36 - 2.1/10700=10...(12) HG3 GLN 25 + QE MET 46 OK 14 100 - 14 - 2.9/10489=3, 3.9/10485=1 HB3 PRO 118 + QE MET 46 OK 13 62 - 20 - 2.3/10489=6, 2.3/3942=2...(6) HG3 MET 59 - QE MET 46 lone 9 100 - 9 - 1078/3.3=1 HG2 MET 59 - QE MET 46 lone 9 100 - 9 - 1078/3.3=1 Peak 1087 from aliabs.peaks (3.21, 2.42, 18.74 ppm; 3.63 A): 1 out of 10 assignments used, quality = 1.00: * HG3 MET 46 + QE MET 46 OK 100 100 - 100 - 3.3=100 HB3 TYR 117 - QE MET 46 OK 26 100 - 27 - 3.9/10478=8, 2.7/8171=7...(9) HA VAL 73 - QE MET 46 OK 21 68 - 31 - 3.0/10689=11...(10) HD3 ARG 140 - QE MET 46 OK 17 100 - 17 - 1071/3.3=3, 2.9/10490=2...(7) HD2 ARG 140 - QE MET 46 OK 16 100 - 16 - 1071/3.3=2, 2.9/10490=2...(6) HD3 ARG 124 - QE MET 46 lone 6 92 - 6 - 1071/3.3=1, 3.0/10490=1 HD3 ARG 141 - QE MET 46 lone 3 92 - 3 - HA LEU 39 - QE MET 46 lone 2 62 - 4 - HD2 ARG 141 - QE MET 46 lone 2 77 - 3 - HD2 ARG 55 - QE MET 46 lone 2 72 - 3 - Peak 1088 from aliabs.peaks (2.42, 2.42, 18.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 46 + QE MET 46 OK 100 100 - 100 Peak 1091 from aliabs.peaks (3.81, 3.81, 59.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + HA GLN 47 OK 100 100 - 100 Peak 1092 from aliabs.peaks (2.36, 3.81, 59.57 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 47 + HA GLN 47 OK 100 100 - 100 - 2.9=100 HB2 PRO 98 + HA GLN 47 OK 52 81 - 65 - 2.3/10472=9, 1112/2.9=9...(26) HE2 LYS 123 - HA GLN 47 OK 23 92 - 25 - 1112/2.9=4, 6406/2.9=3...(13) HG2 GLN 25 - HA GLN 47 lone 3 68 - 4 - 6402/2.9=1 HG3 MET 11 - HA GLN 47 lone 2 62 - 4 - Peak 1093 from aliabs.peaks (2.33, 3.81, 59.57 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 47 + HA GLN 47 OK 100 100 - 100 - 2.9=100 HB2 PRO 98 + HA GLN 47 OK 56 81 - 68 - 1103/2.9=11...(25) HE2 LYS 123 - HA GLN 47 OK 15 68 - 22 - 1103/2.9=3, ~4192=2...(11) HG2 GLU 142 - HA GLN 47 lone 7 77 - 8 - 1103/2.9=1, 6407/2.9=1 Peak 1094 from aliabs.peaks (2.42, 3.81, 59.57 ppm; 3.21 A): 4 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=69, 1.8/1120=12...(30) HG3 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=69, 1.8/1120=12...(30) HG2 GLN 133 + HA GLN 47 OK 50 99 - 50 - 1129=8, 1.8/1129=6...(30) HG3 GLN 133 + HA GLN 47 OK 49 98 - 51 - 1129=8, 1.8/1129=6...(30) QE MET 46 - HA GLN 47 OK 18 100 - 18 - 6404/2.9=5, ~6402=3...(6) HB3 PRO 33 - HA GLN 47 OK 15 89 - 16 - 3.0/8174=4, ~10678=3...(6) HB3 PRO 118 - HA GLN 47 lone 6 85 - 7 - ~10981=1, 3.0/8174=1, 6408/2.9=1 HG2 MET 68 - HA GLN 47 lone 5 96 - 5 - 3.3/10675=2 HG2 MET 11 - HA GLN 47 lone 2 62 - 3 - Peak 1095 from aliabs.peaks (2.42, 3.81, 59.57 ppm; 3.21 A): 4 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=69, 1.8/1120=12...(30) * HG3 GLN 47 + HA GLN 47 OK 93 100 - 93 - 3.6=69, 1.8/1120=12...(30) HG2 GLN 133 + HA GLN 47 OK 50 99 - 50 - 1129=8, 1.8/1129=6...(30) HG3 GLN 133 + HA GLN 47 OK 49 98 - 51 - 1129=8, 1.8/1129=6...(30) QE MET 46 - HA GLN 47 OK 18 100 - 18 - 6404/2.9=5, ~6402=3...(6) HB3 PRO 33 - HA GLN 47 OK 15 89 - 16 - 3.0/8174=4, ~10678=3...(6) HB3 PRO 118 - HA GLN 47 lone 6 85 - 7 - ~10981=1, 3.0/8174=1, 6408/2.9=1 HG2 MET 68 - HA GLN 47 lone 5 96 - 5 - 3.3/10675=2 HG2 MET 11 - HA GLN 47 lone 2 62 - 3 - Peak 1099 from aliabs.peaks (4.46, 2.36, 28.08 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.93: * HA SER 44 + HB2 GLN 47 OK 89 100 - 89 - 997=44, 998/1.8=38...(11) HA SER 103 + HB2 GLN 47 OK 25 98 - 26 - 1109/1.8=7, 6395/4.0=5...(7) HA ASP 137 + HB2 GLN 47 OK 14 94 - 15 - 1109/1.8=3, 6395/4.0=2...(6) HA ASP 41 + HB2 GLN 47 OK 12 99 - 12 - 1109/1.8=3, 896/10476=2...(5) HA3 GLY 31 - HB2 GLN 47 lone 4 89 - 5 - 1109/1.8=1 Peak 1101 from aliabs.peaks (3.81, 2.36, 28.08 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 2.9=100 HA THR 110 - HB2 GLN 47 lone 6 81 - 7 - 1111/1.8=3 Peak 1102 from aliabs.peaks (2.36, 2.36, 28.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 Peak 1103 from aliabs.peaks (2.33, 2.36, 28.08 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 1.8=100 HB2 PRO 98 + HB2 GLN 47 OK 53 81 - 65 - 1093/2.9=8, 2.3/10678=7...(28) HE2 LYS 123 - HB2 GLN 47 OK 18 68 - 26 - 1.8/4192=5, 3.0/4170=4...(9) HG2 GLU 142 - HB2 GLN 47 lone 6 77 - 8 - Peak 1104 from aliabs.peaks (2.42, 2.36, 28.08 ppm; 2.99 A): 4 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 HG3 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 HG2 GLN 133 + HB2 GLN 47 OK 46 99 - 46 - 1130=5, 1115/1.8=5...(24) HG3 GLN 133 + HB2 GLN 47 OK 45 98 - 46 - 1130=5, 1114/1.8=5...(24) HB3 PRO 33 - HB2 GLN 47 OK 19 89 - 22 - 1.8/10678=4, 1114/1.8=2...(5) QE MET 46 - HB2 GLN 47 lone 10 100 - 10 - 6404/4.0=3, 1095/2.9=1 HB3 PRO 118 - HB2 GLN 47 poor 10 85 - 11 - 1115/1.8=1, 3.0/10981=1 HG2 MET 68 - HB2 GLN 47 lone 5 96 - 6 - HG2 MET 11 - HB2 GLN 47 lone 3 62 - 4 - Peak 1105 from aliabs.peaks (2.42, 2.36, 28.08 ppm; 2.99 A): 4 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 * HG3 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 HG2 GLN 133 + HB2 GLN 47 OK 46 99 - 46 - 1130=5, 1115/1.8=5...(24) HG3 GLN 133 + HB2 GLN 47 OK 45 98 - 46 - 1130=5, 1114/1.8=5...(24) HB3 PRO 33 - HB2 GLN 47 OK 19 89 - 22 - 1.8/10678=4, 1114/1.8=2...(5) QE MET 46 - HB2 GLN 47 lone 10 100 - 10 - 6404/4.0=3, 1095/2.9=1 HB3 PRO 118 - HB2 GLN 47 poor 10 85 - 11 - 1115/1.8=1, 3.0/10981=1 HG2 MET 68 - HB2 GLN 47 lone 5 96 - 6 - HG2 MET 11 - HB2 GLN 47 lone 3 62 - 4 - Peak 1109 from aliabs.peaks (4.46, 2.33, 28.08 ppm; 4.43 A): 4 out of 5 assignments used, quality = 0.94: * HA SER 44 + HB3 GLN 47 OK 89 100 - 89 - 998=45, 997/1.8=41...(10) HA SER 103 + HB3 GLN 47 OK 26 98 - 27 - 1099/1.8=7, 6395/4.0=5...(8) HA ASP 137 + HB3 GLN 47 OK 13 94 - 14 - 1099/1.8=4, 6395/4.0=3...(6) HA ASP 41 + HB3 GLN 47 OK 12 99 - 12 - 1099/1.8=3, 896/8168=2...(5) HA3 GLY 31 - HB3 GLN 47 lone 4 89 - 5 - 1099/1.8=1 Peak 1111 from aliabs.peaks (3.81, 2.33, 28.08 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 2.9=100 HA THR 110 - HB3 GLN 47 lone 7 81 - 9 - 10457/10459=3...(3) Peak 1112 from aliabs.peaks (2.36, 2.33, 28.08 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 1.8=100 HB2 PRO 98 + HB3 GLN 47 OK 56 81 - 69 - 1092/2.9=7, 1.8/3267=6...(31) HE2 LYS 123 - HB3 GLN 47 OK 26 92 - 28 - 1092/2.9=3, ~4192=3...(15) HG3 MET 11 - HB3 GLN 47 lone 3 62 - 5 - HG2 GLN 25 - HB3 GLN 47 lone 2 68 - 4 - Peak 1113 from aliabs.peaks (2.33, 2.33, 28.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 Peak 1114 from aliabs.peaks (2.42, 2.33, 28.08 ppm; 3.06 A): 4 out of 9 assignments used, quality = 1.00: * HG2 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 HG3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 HG2 GLN 133 + HB3 GLN 47 OK 47 99 - 48 - 1122=5, 1105/1.8=5...(24) HG3 GLN 133 + HB3 GLN 47 OK 47 98 - 48 - 1122=5, 1105/1.8=5...(24) HB3 PRO 33 - HB3 GLN 47 OK 20 89 - 23 - ~10678=4, 1105/1.8=2...(6) HB3 PRO 118 - HB3 GLN 47 OK 10 85 - 12 - 1105/1.8=1, ~10981=1 QE MET 46 - HB3 GLN 47 OK 10 100 - 10 - 6404/4.0=3, 1094/2.9=1 HG2 MET 68 - HB3 GLN 47 lone 5 96 - 6 - HG2 MET 11 - HB3 GLN 47 lone 3 62 - 4 - Peak 1115 from aliabs.peaks (2.42, 2.33, 28.08 ppm; 3.06 A): 4 out of 9 assignments used, quality = 1.00: HG2 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 * HG3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 HG2 GLN 133 + HB3 GLN 47 OK 47 99 - 48 - 1122=5, 1105/1.8=5...(24) HG3 GLN 133 + HB3 GLN 47 OK 47 98 - 48 - 1122=5, 1105/1.8=5...(24) HB3 PRO 33 - HB3 GLN 47 OK 20 89 - 23 - ~10678=4, 1105/1.8=2...(6) HB3 PRO 118 - HB3 GLN 47 OK 10 85 - 12 - 1105/1.8=1, ~10981=1 QE MET 46 - HB3 GLN 47 OK 10 100 - 10 - 6404/4.0=3, 1094/2.9=1 HG2 MET 68 - HB3 GLN 47 lone 5 96 - 6 - HG2 MET 11 - HB3 GLN 47 lone 3 62 - 4 - Peak 1119 from aliabs.peaks (7.99, 2.42, 33.14 ppm; 4.97 A): 4 out of 4 assignments used, quality = 1.00: H GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 4.9=100 * H GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 4.9=100 H GLN 47 + HG2 GLN 133 OK 62 95 - 65 - 2.9/1129=8, 6404/1.8=6...(21) H GLN 47 + HG3 GLN 133 OK 59 92 - 65 - 2.9/1129=7, 6404/1.8=6...(21) Peak 1120 from aliabs.peaks (3.81, 2.42, 33.14 ppm; 3.01 A): 2 out of 8 assignments used, quality = 0.99: HA GLN 47 + HG3 GLN 47 OK 88 100 - 88 - 3.6=57, 1095/1.8=9...(30) * HA GLN 47 + HG2 GLN 47 OK 88 100 - 88 - 3.6=57, 1095/1.8=9...(30) HA GLN 47 - HG2 GLN 133 OK 42 95 - 45 - 1095=6, 1094/1.8=5...(29) HA GLN 47 - HG3 GLN 133 OK 41 92 - 45 - 1095=6, 1094/1.8=5...(29) HA THR 110 - HG3 GLN 47 lone 3 81 - 3 - 1111/3.0=1 HA THR 110 - HG2 GLN 47 lone 3 81 - 3 - 1111/3.0=1 HA THR 110 - HG2 GLN 133 lone 1 74 - 1 - HA THR 110 - HG3 GLN 133 lone 1 69 - 1 - Peak 1121 from aliabs.peaks (2.36, 2.42, 33.14 ppm; 2.50 A): 2 out of 20 assignments used, quality = 0.96: * HB2 GLN 47 + HG2 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) HB2 GLN 47 + HG3 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) HB2 GLN 47 - HG2 GLN 133 OK 29 95 - 30 - 1105=4, 1.8/1115=3...(17) HB2 GLN 47 - HG3 GLN 133 OK 28 92 - 30 - 1105=4, 1104/1.8=3...(17) HB2 PRO 98 - HG2 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HB2 PRO 98 - HG3 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HE2 LYS 123 - HG3 GLN 47 OK 11 92 - 11 - 1112/3.0=2, 1092/3.6=2 HE2 LYS 123 - HG2 GLN 47 OK 11 92 - 11 - 1112/3.0=2, 1092/3.6=2 HG3 MET 11 - HG2 GLN 47 lone 2 62 - 3 - HG3 MET 11 - HG3 GLN 47 lone 2 62 - 3 - HG2 GLN 25 - HG2 GLN 47 lone 1 68 - 2 - HG2 GLN 25 - HG3 GLN 47 lone 1 68 - 2 - HE2 LYS 123 - HG2 GLN 133 lone 1 84 - 1 - HB2 PRO 98 - HG2 GLN 133 lone 1 74 - 2 - HE2 LYS 123 - HG3 GLN 133 lone 1 80 - 1 - HB2 PRO 98 - HG3 GLN 133 lone 1 69 - 2 - HG2 GLN 25 - HG2 GLN 133 lone 0 60 - 1 - HG2 GLN 25 - HG3 GLN 133 lone 0 56 - 1 - HG3 MET 11 - HG2 GLN 133 lone 0 55 - 0 - HG3 MET 11 - HG3 GLN 133 lone 0 52 - 0 - Peak 1122 from aliabs.peaks (2.33, 2.42, 33.14 ppm; 2.58 A): 2 out of 16 assignments used, quality = 0.97: HB3 GLN 47 + HG3 GLN 47 OK 84 100 - 84 - 3.0=64, 1.8/1104=8...(22) * HB3 GLN 47 + HG2 GLN 47 OK 84 100 - 84 - 3.0=64, 1.8/1104=8...(22) HB3 GLN 47 - HG2 GLN 133 OK 31 95 - 32 - 1115=5, 1.8/1104=4...(17) HB3 GLN 47 - HG3 GLN 133 OK 30 92 - 32 - 1114=5, 1114/1.8=4...(17) HB2 PRO 98 - HG3 GLN 47 OK 24 81 - 29 - 1103/3.0=5, 1093/3.6=4...(16) HB2 PRO 98 - HG2 GLN 47 OK 24 81 - 29 - 1103/3.0=5, 1093/3.6=4...(16) HE2 LYS 123 - HG3 GLN 47 lone 6 68 - 9 - 1103/3.0=2, ~4192=1 HE2 LYS 123 - HG2 GLN 47 lone 6 68 - 9 - 1103/3.0=2, ~4192=1 HG2 GLU 142 - HG2 GLN 47 lone 3 77 - 3 - HG2 GLU 142 - HG3 GLN 47 lone 3 77 - 3 - HB2 PRO 98 - HG2 GLN 133 lone 1 74 - 2 - HB2 PRO 98 - HG3 GLN 133 lone 1 69 - 2 - HE2 LYS 123 - HG2 GLN 133 lone 1 60 - 1 - HE2 LYS 123 - HG3 GLN 133 lone 1 56 - 1 - HG2 GLU 142 - HG2 GLN 133 lone 0 69 - 0 - HG2 GLU 142 - HG3 GLN 133 lone 0 65 - 0 - Peak 1123 from aliabs.peaks (2.42, 2.42, 33.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 * HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 93 93 - 100 HG3 GLN 133 + HG3 GLN 133 OK 87 87 - 100 Peak 1124 from aliabs.peaks (2.42, 2.42, 33.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 93 93 - 100 HG3 GLN 133 + HG3 GLN 133 OK 87 87 - 100 Reference assignment not found: HG3 GLN 47 - HG2 GLN 47 Peak 1128 from aliabs.peaks (7.99, 2.42, 33.14 ppm; 4.97 A): 4 out of 4 assignments used, quality = 1.00: * H GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 4.9=100 H GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 4.9=100 H GLN 47 + HG2 GLN 133 OK 62 95 - 65 - 2.9/1129=8, 6404/1.8=6...(21) H GLN 47 + HG3 GLN 133 OK 59 92 - 65 - 2.9/1129=7, 6404/1.8=6...(21) Peak 1129 from aliabs.peaks (3.81, 2.42, 33.14 ppm; 3.01 A): 2 out of 8 assignments used, quality = 0.99: * HA GLN 47 + HG3 GLN 47 OK 88 100 - 88 - 3.6=57, 1095/1.8=9...(30) HA GLN 47 + HG2 GLN 47 OK 88 100 - 88 - 3.6=57, 1095/1.8=9...(30) HA GLN 47 - HG2 GLN 133 OK 42 95 - 45 - 1095=6, 1094/1.8=5...(29) HA GLN 47 - HG3 GLN 133 OK 41 92 - 45 - 1095=6, 1094/1.8=5...(29) HA THR 110 - HG3 GLN 47 lone 3 81 - 3 - 1111/3.0=1 HA THR 110 - HG2 GLN 47 lone 3 81 - 3 - 1111/3.0=1 HA THR 110 - HG2 GLN 133 lone 1 74 - 1 - HA THR 110 - HG3 GLN 133 lone 1 69 - 1 - Peak 1130 from aliabs.peaks (2.36, 2.42, 33.14 ppm; 2.50 A): 2 out of 20 assignments used, quality = 0.96: HB2 GLN 47 + HG2 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) * HB2 GLN 47 + HG3 GLN 47 OK 79 100 - 79 - 3.0=58, 1105/1.8=7...(22) HB2 GLN 47 - HG2 GLN 133 OK 29 95 - 30 - 1105=4, 1.8/1115=3...(17) HB2 GLN 47 - HG3 GLN 133 OK 28 92 - 30 - 1105=4, 1104/1.8=3...(17) HB2 PRO 98 - HG2 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HB2 PRO 98 - HG3 GLN 47 OK 23 81 - 28 - 1112/3.0=5, 1092/3.6=3...(15) HE2 LYS 123 - HG3 GLN 47 OK 11 92 - 11 - 1112/3.0=2, 1092/3.6=2 HE2 LYS 123 - HG2 GLN 47 OK 11 92 - 11 - 1112/3.0=2, 1092/3.6=2 HG3 MET 11 - HG2 GLN 47 lone 2 62 - 3 - HG3 MET 11 - HG3 GLN 47 lone 2 62 - 3 - HG2 GLN 25 - HG2 GLN 47 lone 1 68 - 2 - HG2 GLN 25 - HG3 GLN 47 lone 1 68 - 2 - HE2 LYS 123 - HG2 GLN 133 lone 1 84 - 1 - HB2 PRO 98 - HG2 GLN 133 lone 1 74 - 2 - HE2 LYS 123 - HG3 GLN 133 lone 1 80 - 1 - HB2 PRO 98 - HG3 GLN 133 lone 1 69 - 2 - HG2 GLN 25 - HG2 GLN 133 lone 0 60 - 1 - HG2 GLN 25 - HG3 GLN 133 lone 0 56 - 1 - HG3 MET 11 - HG2 GLN 133 lone 0 55 - 0 - HG3 MET 11 - HG3 GLN 133 lone 0 52 - 0 - Peak 1131 from aliabs.peaks (2.33, 2.42, 33.14 ppm; 2.58 A): 2 out of 16 assignments used, quality = 0.97: * HB3 GLN 47 + HG3 GLN 47 OK 84 100 - 84 - 3.0=64, 1.8/1104=8...(22) HB3 GLN 47 + HG2 GLN 47 OK 84 100 - 84 - 3.0=64, 1.8/1104=8...(22) HB3 GLN 47 - HG2 GLN 133 OK 31 95 - 32 - 1115=5, 1.8/1104=4...(17) HB3 GLN 47 - HG3 GLN 133 OK 30 92 - 32 - 1114=5, 1114/1.8=4...(17) HB2 PRO 98 - HG3 GLN 47 OK 24 81 - 29 - 1103/3.0=5, 1093/3.6=4...(16) HB2 PRO 98 - HG2 GLN 47 OK 24 81 - 29 - 1103/3.0=5, 1093/3.6=4...(16) HE2 LYS 123 - HG3 GLN 47 lone 6 68 - 9 - 1103/3.0=2, ~4192=1 HE2 LYS 123 - HG2 GLN 47 lone 6 68 - 9 - 1103/3.0=2, ~4192=1 HG2 GLU 142 - HG2 GLN 47 lone 3 77 - 3 - HG2 GLU 142 - HG3 GLN 47 lone 3 77 - 3 - HB2 PRO 98 - HG2 GLN 133 lone 1 74 - 2 - HB2 PRO 98 - HG3 GLN 133 lone 1 69 - 2 - HE2 LYS 123 - HG2 GLN 133 lone 1 60 - 1 - HE2 LYS 123 - HG3 GLN 133 lone 1 56 - 1 - HG2 GLU 142 - HG2 GLN 133 lone 0 69 - 0 - HG2 GLU 142 - HG3 GLN 133 lone 0 65 - 0 - Peak 1132 from aliabs.peaks (2.42, 2.42, 33.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 93 93 - 100 HG3 GLN 133 + HG3 GLN 133 OK 87 87 - 100 Reference assignment not found: HG2 GLN 47 - HG3 GLN 47 Peak 1133 from aliabs.peaks (2.42, 2.42, 33.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 93 93 - 100 HG3 GLN 133 + HG3 GLN 133 OK 87 87 - 100 Peak 1138 from aliabs.peaks (3.96, 3.96, 59.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 48 + HA LYS 48 OK 100 100 - 100 Peak 1139 from aliabs.peaks (1.87, 3.96, 59.08 ppm; 2.75 A): 2 out of 9 assignments used, quality = 0.99: * HB2 LYS 48 + HA LYS 48 OK 92 100 - 92 - 3.0=77, 2.9/1141=14...(28) HB3 LYS 48 + HA LYS 48 OK 89 96 - 92 - 3.0=77, 2.9/1141=14...(28) HB2 LYS 36 - HA LYS 48 OK 27 96 - 28 - 1150=4, 3.0/1184=3...(10) HB2 ARG 144 - HA LYS 48 OK 21 100 - 21 - 3.0/1142=2, 4888/3.8=2...(8) HB3 LYS 85 - HA LYS 48 OK 17 100 - 17 - ~2584=1, 1174/3.8=1...(4) HB3 LYS 76 - HA LYS 48 lone 7 85 - 8 - 1.8/1141=2 HG LEU 69 - HA LYS 48 lone 4 89 - 5 - HB3 LEU 126 - HA LYS 48 lone 3 92 - 3 - HB3 GLU 28 - HA LYS 48 lone 3 81 - 3 - Peak 1140 from aliabs.peaks (1.87, 3.96, 59.08 ppm; 2.75 A): 2 out of 9 assignments used, quality = 0.99: * HB3 LYS 48 + HA LYS 48 OK 92 100 - 92 - 3.0=77, 2.9/1141=14...(28) HB2 LYS 48 + HA LYS 48 OK 89 96 - 92 - 3.0=77, 2.9/1141=14...(28) HB2 LYS 36 - HA LYS 48 OK 28 100 - 28 - 1150=4, 3.0/1184=3...(10) HB2 ARG 144 - HA LYS 48 OK 21 100 - 21 - 3.0/1142=2, 4888/3.8=2...(8) HB3 LYS 85 - HA LYS 48 OK 15 89 - 17 - ~2584=1, ~2584=1...(4) HB3 LYS 93 - HA LYS 48 OK 15 57 - 26 - 3.4/1143=3, 3.4/1144=3...(4) HB3 ARG 141 - HA LYS 48 OK 14 72 - 19 - 3.0/10502=5, 2.8/1142=2 HG LEU 69 - HA LYS 48 lone 3 62 - 4 - HB3 LEU 126 - HA LYS 48 lone 2 68 - 3 - Peak 1141 from aliabs.peaks (1.44, 3.96, 59.08 ppm; 3.23 A): 2 out of 5 assignments used, quality = 0.94: * HG2 LYS 48 + HA LYS 48 OK 93 100 - 93 - 3.8=61, 1.8/1184=17...(39) HB3 LYS 114 + HA LYS 48 OK 14 77 - 18 - 3.9/1147=5, 3754/3.6=4...(7) HG12 ILE 91 - HA LYS 48 lone 8 100 - 8 - 1187/3.8=2, 1153/3.0=1 HG2 LYS 24 - HA LYS 48 lone 8 100 - 8 - 1187/3.8=2, 1153/3.0=1 HB3 LYS 123 - HA LYS 48 lone 6 89 - 6 - 6445/3.0=2, 1187/3.8=1 Peak 1142 from aliabs.peaks (1.61, 3.96, 59.08 ppm; 3.36 A): 1 out of 11 assignments used, quality = 0.96: * HG3 LYS 48 + HA LYS 48 OK 96 100 - 96 - 3.8=69, 1.8/1141=27...(42) HG3 ARG 144 - HA LYS 48 OK 37 100 - 37 - 4912/3.0=6, 4912/3.0=6...(14) HG2 ARG 141 - HA LYS 48 OK 26 92 - 28 - 3.8/10502=6, 1.8/1144=3...(9) HG LEU 108 - HA LYS 48 OK 26 94 - 27 - 3493/3.0=5, ~3501=4...(9) HG3 ARG 49 - HA LYS 48 OK 25 100 - 25 - 1274/3.6=10, 1275/4.8=6...(5) HG2 ARG 144 - HA LYS 48 OK 23 77 - 30 - ~4912=3, ~4912=3...(13) HB2 LEU 87 - HA LYS 48 OK 14 96 - 15 - ~10091=2, 1177/3.8=2...(7) HB2 LEU 97 - HA LYS 48 poor 10 89 - 11 - 1243/4.8=1, 6467/3.6=1...(4) HD2 LYS 24 - HA LYS 48 poor 7 68 - 10 - 11345/3.6=3, 3.0/1141=2 HB3 LEU 64 - HA LYS 48 lone 3 68 - 4 - HG3 LYS 34 - HA LYS 48 lone 1 68 - 1 - Peak 1143 from aliabs.peaks (1.67, 3.96, 59.08 ppm; 3.38 A): 3 out of 13 assignments used, quality = 0.99: * HD2 LYS 48 + HA LYS 48 OK 91 100 - 91 - 5.3=27, 3.0/1141=20...(48) HD3 LYS 48 + HA LYS 48 OK 86 94 - 91 - 5.3=27, 3.0/1141=20...(48) HD3 LYS 93 + HA LYS 48 OK 57 100 - 57 - 1195=6, 1189/3.8=6...(26) HB2 LYS 114 - HA LYS 48 OK 14 62 - 23 - 1.8/1141=5, 3.9/1147=5...(9) HB2 MET 68 - HA LYS 48 lone 6 96 - 6 - 4.2/8421=1 HB2 LEU 95 - HA LYS 48 lone 6 100 - 6 - 4.6/9087=1, 3.9/7114=1 HG13 ILE 136 - HA LYS 48 lone 5 100 - 4 - HG2 ARG 140 - HA LYS 48 lone 3 81 - 4 - 4733/4.8=1 HG2 ARG 89 - HA LYS 48 lone 2 100 - 2 - HB2 PRO 57 - HA LYS 48 lone 2 92 - 3 - HB2 ARG 145 - HA LYS 48 lone 2 100 - 2 - HB VAL 71 - HA LYS 48 lone 2 100 - 1 - HG2 ARG 124 - HA LYS 48 lone 2 81 - 2 - Peak 1144 from aliabs.peaks (1.67, 3.96, 59.08 ppm; 3.38 A): 3 out of 12 assignments used, quality = 0.99: * HD3 LYS 48 + HA LYS 48 OK 91 100 - 91 - 5.3=27, 3.0/1141=20...(48) HD2 LYS 48 + HA LYS 48 OK 86 94 - 91 - 5.3=27, 3.0/1141=20...(48) HD3 LYS 93 + HA LYS 48 OK 51 92 - 55 - 1195=5, 1179/3.8=5...(25) HG3 ARG 141 - HA LYS 48 OK 25 85 - 30 - 3.8/10502=6, 1.8/1142=3...(13) HB2 MET 68 - HA LYS 48 lone 7 100 - 7 - 4.2/8421=1 HG LEU 97 - HA LYS 48 lone 7 81 - 8 - ~10132=1, 3.0/1142=1 HB2 LEU 95 - HA LYS 48 lone 5 94 - 5 - 4.6/9087=1, 3.9/7114=1 HG13 ILE 136 - HA LYS 48 lone 4 96 - 4 - HG2 ARG 89 - HA LYS 48 lone 2 94 - 2 - HB2 ARG 145 - HA LYS 48 lone 2 99 - 2 - HB2 PRO 57 - HA LYS 48 lone 1 62 - 2 - HB VAL 71 - HA LYS 48 lone 1 94 - 1 - Peak 1145 from aliabs.peaks (2.95, 3.96, 59.08 ppm; 4.45 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 48 + HA LYS 48 OK 94 100 - 94 - 6.0=41, 3.6/1141=27...(54) HE3 LYS 48 + HA LYS 48 OK 93 99 - 94 - 6.0=41, 3.6/1141=27...(52) HE2 LYS 93 + HA LYS 48 OK 68 100 - 68 - 3.0/1143=8, 3.0/1144=8...(45) HE3 LYS 93 + HA LYS 48 OK 56 81 - 69 - 3.0/1143=8, 3.0/1144=8...(53) HE2 LYS 85 + HA LYS 48 OK 52 100 - 52 - 1180/3.8=4, 1191/3.8=4...(31) HE3 LYS 85 + HA LYS 48 OK 49 94 - 52 - 1191/3.8=4, 1180/3.8=4...(34) HB2 PHE 106 - HA LYS 48 OK 29 100 - 29 - 3431=4, 1.8/3439=4...(12) HB2 TYR 115 - HA LYS 48 lone 5 100 - 5 - HB3 PHE 67 - HA LYS 48 lone 5 100 - 4 - HB3 ASN 130 - HA LYS 48 lone 1 62 - 1 - HB2 TYR 119 - HA LYS 48 lone 1 68 - 1 - Peak 1146 from aliabs.peaks (2.95, 3.96, 59.08 ppm; 5.32 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 48 + HA LYS 48 OK 99 100 - 99 - 6.0=70, 3.6/1141=33...(53) HE2 LYS 48 + HA LYS 48 OK 98 99 - 99 - 6.0=70, 3.6/1141=33...(55) HE2 LYS 93 + HA LYS 48 OK 78 100 - 79 - 3.0/1143=10, 3.0/1144=10...(50) HE3 LYS 93 + HA LYS 48 OK 76 94 - 80 - 3.0/1143=10, 3.0/1144=10...(54) HE3 LYS 85 + HA LYS 48 OK 63 100 - 64 - 1192/3.8=5, 1181/3.8=5...(40) HE2 LYS 85 + HA LYS 48 OK 63 100 - 63 - 1180/3.8=5, 1191/3.8=5...(40) HB2 PHE 106 - HA LYS 48 OK 35 98 - 36 - 4.6/7251=5, 1.8/3439=4...(15) HB2 TYR 115 - HA LYS 48 lone 6 99 - 6 - 1180/3.8=1 HB3 PHE 67 - HA LYS 48 lone 6 98 - 6 - HB3 ASN 130 - HA LYS 48 lone 2 81 - 2 - HB2 TYR 119 - HA LYS 48 lone 1 85 - 2 - Peak 1148 from aliabs.peaks (4.22, 1.87, 31.89 ppm; 3.15 A): 9 out of 24 assignments used, quality = 0.90: * HA PHE 45 + HB2 LYS 48 OK 33 100 - 33 - 1019/3.8=10, 1020=10...(8) HA LYS 93 + HB2 LYS 48 OK 30 98 - 31 - 10469/2.9=4, 3016/3.6=4...(14) HA PHE 45 + HB3 LYS 48 OK 28 87 - 33 - 1019/3.8=10, 1020=10...(8) HA LYS 85 + HB2 LYS 48 OK 25 72 - 35 - 2572=3, 2.9/2584=3...(14) HA LYS 93 + HB3 LYS 48 OK 21 82 - 25 - 10469/2.9=4, 3016/3.6=4...(10) HA LYS 85 + HB3 LYS 48 OK 19 56 - 33 - 2572/1.8=3, 2.9/2584=3...(13) HA PHE 45 + HB2 LYS 36 OK 15 71 - 21 - 1020=7, ~704=2...(9) HA ILE 101 + HB2 LYS 48 OK 14 98 - 14 - 1020=4, 1019/3.8=3, 1021/1.8=3 HA ILE 101 + HB3 LYS 48 OK 11 82 - 14 - 1021=4, 1020/1.8=3, 1019/3.8=3 HA ALA 134 - HB2 LYS 48 lone 8 98 - 9 - 2.1/10321=3, ~10321=2 HA LYS 93 - HB2 LYS 36 poor 7 67 - 10 - 3015/3.0=2 HA ALA 134 - HB3 LYS 48 lone 7 82 - 8 - 2.1/10321=3, ~10321=2 HA LYS 85 - HB2 LYS 36 poor 6 44 - 12 - 2.9/2584=1, 2572=1 HA THR 102 - HB2 LYS 48 lone 4 100 - 4 - HA PHE 67 - HB2 LYS 36 poor 4 37 - 10 - ~680=1, ~681=1 HA THR 102 - HB3 LYS 48 lone 3 85 - 4 - HA PHE 67 - HB2 LYS 48 lone 2 62 - 3 - HB THR 102 - HB2 LYS 48 lone 2 62 - 4 - HA ALA 134 - HB2 LYS 36 lone 2 67 - 3 - HA PHE 67 - HB3 LYS 48 lone 2 48 - 3 - HA ILE 101 - HB2 LYS 36 lone 2 67 - 2 - HB THR 102 - HB3 LYS 48 lone 2 48 - 3 - HA THR 102 - HB2 LYS 36 lone 1 69 - 1 - HB THR 102 - HB2 LYS 36 lone 0 37 - 1 - Peak 1150 from aliabs.peaks (3.96, 1.87, 31.89 ppm; 3.26 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 48 + HB2 LYS 48 OK 100 100 - 100 - 3.0=100 HA LYS 48 + HB3 LYS 48 OK 87 87 - 100 - 3.0=100 HA LYS 48 - HB2 LYS 36 OK 29 71 - 40 - 1139=6, 1184/3.0=4...(20) HA PHE 106 - HB2 LYS 48 OK 19 89 - 22 - 1184/2.9=3, 1173/2.9=3...(6) HA PHE 106 - HB3 LYS 48 OK 15 72 - 22 - 1184/2.9=3, 1173/2.9=3...(6) HA3 GLY 143 - HB2 LYS 48 OK 15 100 - 15 - 1184/2.9=2, 3.5/7878=2...(6) HB3 SER 103 - HB2 LYS 48 OK 13 100 - 13 - 1173/2.9=2, 1184/2.9=2...(5) HA3 GLY 143 - HB3 LYS 48 OK 13 86 - 15 - 1184/2.9=2, 3.5/7878=2...(7) HB3 SER 103 - HB3 LYS 48 OK 11 87 - 13 - 1173/2.9=2, 1184/2.9=2...(5) HA ALA 60 - HB2 LYS 48 lone 10 96 - 10 - 1173/2.9=2, 1184/2.9=2 HA3 GLY 94 - HB2 LYS 48 lone 9 96 - 10 - 1173/2.9=2, 1184/2.9=2 HA ALA 60 - HB3 LYS 48 lone 8 80 - 10 - 1173/2.9=2, 1184/2.9=2 HA3 GLY 94 - HB3 LYS 48 lone 7 80 - 9 - 1173/2.9=2, 1184/2.9=2 HA3 GLY 143 - HB2 LYS 36 lone 6 70 - 9 - 3.5/7878=2, ~11639=1...(4) HA PHE 106 - HB2 LYS 36 lone 2 57 - 3 - HA3 GLY 94 - HB2 LYS 36 lone 1 65 - 2 - HB3 SER 103 - HB2 LYS 36 lone 1 71 - 1 - HA ALA 60 - HB2 LYS 36 lone 1 65 - 1 - Peak 1151 from aliabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 48 + HB2 LYS 48 OK 100 100 - 100 HB3 LYS 48 + HB3 LYS 48 OK 80 80 - 100 HB2 LYS 36 + HB2 LYS 36 OK 65 65 - 100 Peak 1152 from aliabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 LYS 48 + HB2 LYS 48 OK 96 96 - 100 HB3 LYS 48 + HB3 LYS 48 OK 87 87 - 100 HB2 LYS 36 + HB2 LYS 36 OK 71 71 - 100 Reference assignment not found: HB3 LYS 48 - HB2 LYS 48 Peak 1153 from aliabs.peaks (1.44, 1.87, 31.89 ppm; 2.97 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 48 + HB2 LYS 48 OK 100 100 - 100 - 2.9=100 HG2 LYS 48 + HB3 LYS 48 OK 87 87 - 100 - 2.9=100 HG2 LYS 48 - HB2 LYS 36 OK 33 71 - 47 - 1174=6, 1.8/1185=5...(22) HG2 LYS 24 - HB2 LYS 36 OK 22 70 - 31 - 10901/4.8=5, 10906/3.0=4...(10) HB3 LYS 114 - HB2 LYS 48 OK 18 77 - 24 - 1187/2.9=3, 3754/4.3=2...(6) HG2 LYS 24 - HB2 LYS 48 OK 15 100 - 15 - 1187/2.9=3, ~10899=1, 1141/3.0=1 HB3 LYS 114 - HB3 LYS 48 OK 14 61 - 24 - 1187/2.9=3, 3754/4.3=2...(6) HG12 ILE 91 - HB2 LYS 48 OK 14 100 - 14 - 1187/2.9=2, ~9801=2...(4) HG2 LYS 24 - HB3 LYS 48 OK 13 86 - 15 - 1187/2.9=3, ~10899=1, 1141/3.0=1 HG12 ILE 91 - HB3 LYS 48 OK 12 85 - 14 - 1187/2.9=2, ~9801=2...(4) HB3 LYS 123 - HB2 LYS 48 OK 10 89 - 11 - 1187/2.9=2, ~4109=1 HB3 LYS 123 - HB3 LYS 48 poor 8 72 - 11 - 1187/2.9=2, ~4109=1 HG12 ILE 91 - HB2 LYS 36 lone 6 69 - 9 - 10079/4.5=2, ~8990=2 HB3 LYS 114 - HB2 LYS 36 lone 3 48 - 6 - 10202/3.9=2 HB3 LYS 123 - HB2 LYS 36 lone 0 57 - 1 - Peak 1154 from aliabs.peaks (1.61, 1.87, 31.89 ppm; 3.06 A): 4 out of 33 assignments used, quality = 1.00: * HG3 LYS 48 + HB2 LYS 48 OK 100 100 - 100 - 2.9=100 HG3 LYS 48 + HB3 LYS 48 OK 87 87 - 100 - 2.9=100 HG3 ARG 144 + HB2 LYS 48 OK 58 100 - 58 - 4912=9, 4912/1.8=7...(23) HG3 ARG 144 + HB3 LYS 48 OK 49 86 - 57 - 4912=9, 4912/1.8=7...(20) HG2 ARG 144 - HB2 LYS 48 OK 42 77 - 54 - 1.8/4912=7, 3.0/4894=5...(19) HG3 LYS 48 - HB2 LYS 36 OK 37 71 - 52 - 1185=6, 1.8/1174=5...(24) HG2 ARG 141 - HB2 LYS 48 OK 35 92 - 38 - 1177/2.9=3, 4903=3...(17) HG2 ARG 144 - HB3 LYS 48 OK 33 61 - 54 - 1.8/4912=7, 3.0/4894=5...(18) HG3 ARG 144 - HB2 LYS 36 OK 29 70 - 41 - 4912=6, 3.0/4894=4...(20) HB2 LEU 87 - HB2 LYS 48 OK 26 96 - 26 - 3.2/8891=3, ~10091=3...(11) HG2 ARG 141 - HB3 LYS 48 OK 24 75 - 33 - 1177/2.9=3, 4903=2...(15) HG3 ARG 49 - HB2 LYS 36 OK 22 71 - 31 - ~8195=8, ~660=2, ~676=2...(12) HB2 LEU 87 - HB3 LYS 48 OK 22 80 - 27 - 3.2/10091=3, ~10091=2...(12) HG3 ARG 49 - HB2 LYS 48 OK 20 100 - 20 - 1274/4.3=7, 1142/3.0=2...(4) HG2 ARG 141 - HB2 LYS 36 OK 19 60 - 32 - ~679=3, 4903=3, ~679=2...(15) HG2 ARG 144 - HB2 LYS 36 OK 19 48 - 39 - 1.8/4912=5, 3.0/4894=4...(20) HG3 ARG 49 - HB3 LYS 48 OK 17 87 - 20 - 1274/4.3=7, 1142/3.0=2...(4) HG LEU 108 - HB2 LYS 48 OK 15 94 - 16 - 3493/3.8=3, 1142/3.0=2...(6) HG LEU 108 - HB3 LYS 48 OK 12 78 - 16 - 3493/3.8=3, 1142/3.0=2...(5) HB2 LEU 97 - HB2 LYS 48 OK 11 89 - 13 - 1177/2.9=1, ~10132=1 HB2 LEU 97 - HB3 LYS 48 poor 9 72 - 13 - 1177/2.9=1 HD2 LYS 24 - HB2 LYS 48 poor 8 68 - 12 - 11345/4.3=2, 3.0/1153=1 HD2 LYS 24 - HB3 LYS 48 poor 6 52 - 11 - 11345/4.3=2 HD2 LYS 24 - HB2 LYS 36 lone 4 41 - 9 - ~676=2, 3.0/1153=2...(4) HG LEU 108 - HB2 LYS 36 lone 3 62 - 5 - 10228/4.5=2 HB3 LEU 64 - HB2 LYS 48 lone 3 68 - 4 - HB3 LEU 64 - HB3 LYS 48 lone 2 52 - 4 - HB2 LEU 87 - HB2 LYS 36 lone 2 65 - 3 - HB2 LEU 97 - HB2 LYS 36 lone 1 57 - 3 - HG3 LYS 34 - HB2 LYS 36 lone 1 41 - 2 - HG3 LYS 34 - HB2 LYS 48 lone 1 68 - 1 - HG3 LYS 34 - HB3 LYS 48 lone 1 52 - 1 - HB3 LEU 64 - HB2 LYS 36 lone 0 41 - 1 - Peak 1155 from aliabs.peaks (1.67, 1.87, 31.89 ppm; 2.95 A): 6 out of 39 assignments used, quality = 1.00: * HD2 LYS 48 + HB2 LYS 48 OK 96 100 - 96 - 3.6=55, 1198/2.9=11...(72) HD3 LYS 48 + HB2 LYS 48 OK 91 94 - 96 - 3.6=55, 1198/2.9=9...(72) HD2 LYS 48 + HB3 LYS 48 OK 83 87 - 96 - 3.6=55, 1198/2.9=11...(71) HD3 LYS 48 + HB3 LYS 48 OK 74 78 - 96 - 3.6=55, 1198/2.9=9...(71) HD3 LYS 93 + HB2 LYS 48 OK 68 100 - 68 - 1189/2.9=6, 1178/2.9=6...(31) HD3 LYS 93 + HB3 LYS 48 OK 55 87 - 64 - 1189/2.9=6, 1178/2.9=6...(27) HD2 LYS 48 - HB2 LYS 36 OK 20 71 - 28 - 3.0/1174=3, 3.0/1185=3...(11) HB2 MET 68 - HB2 LYS 36 OK 18 65 - 27 - ~679=3, ~679=2...(14) HD3 LYS 48 - HB2 LYS 36 OK 17 62 - 27 - 3.0/1174=3, 3.0/1185=3...(11) HB2 LYS 114 - HB2 LYS 48 OK 15 62 - 24 - 1.8/1153=2, 3.9/1159=2...(12) HD3 LYS 93 - HB2 LYS 36 OK 12 71 - 16 - 3083/3.0=1, ~3072=1, ~676=1 HB2 LYS 114 - HB3 LYS 48 OK 11 48 - 23 - 1.8/1165=2, 3.9/1159=2...(12) HB2 MET 68 - HB2 LYS 48 lone 6 96 - 7 - HB2 MET 68 - HB3 LYS 48 lone 5 80 - 6 - HG13 ILE 136 - HB2 LYS 48 lone 5 100 - 5 - HG13 ILE 136 - HB3 LYS 48 lone 4 87 - 4 - HB2 PRO 57 - HB2 LYS 36 lone 4 60 - 6 - ~10791=2, 2.3/10790=1 HB VAL 71 - HB2 LYS 36 lone 3 71 - 5 - ~9894=2 HG2 ARG 124 - HB2 LYS 36 lone 3 51 - 7 - HB2 ARG 145 - HB2 LYS 48 lone 3 100 - 3 - 4.0/7888=2 HB2 LEU 95 - HB2 LYS 48 lone 3 100 - 3 - HB2 PRO 57 - HB2 LYS 48 lone 3 92 - 3 - HB2 ARG 145 - HB3 LYS 48 lone 3 85 - 3 - 4.0/7888=2 HG2 ARG 89 - HB2 LYS 48 lone 3 100 - 2 - HB2 LEU 95 - HB3 LYS 48 lone 2 87 - 3 - HG2 ARG 140 - HB2 LYS 48 lone 2 81 - 3 - HG2 ARG 89 - HB3 LYS 48 lone 2 87 - 2 - HB2 PRO 57 - HB3 LYS 48 lone 2 75 - 3 - HG2 ARG 89 - HB2 LYS 36 lone 2 71 - 3 - HG2 ARG 124 - HB2 LYS 48 lone 2 81 - 2 - HG2 ARG 140 - HB3 LYS 48 lone 2 64 - 3 - HB VAL 71 - HB2 LYS 48 lone 2 100 - 2 - HB2 LYS 114 - HB2 LYS 36 lone 2 37 - 5 - HG2 ARG 140 - HB2 LYS 36 lone 2 51 - 3 - HG13 ILE 136 - HB2 LYS 36 lone 1 71 - 2 - HG2 ARG 124 - HB3 LYS 48 lone 1 64 - 2 - HB VAL 71 - HB3 LYS 48 lone 1 87 - 2 - HB2 ARG 145 - HB2 LYS 36 lone 1 69 - 2 - 4.0/7888=1 HB2 LEU 95 - HB2 LYS 36 lone 1 71 - 1 - Peak 1156 from aliabs.peaks (1.67, 1.87, 31.89 ppm; 2.95 A): 6 out of 36 assignments used, quality = 1.00: * HD3 LYS 48 + HB2 LYS 48 OK 96 100 - 96 - 3.6=55, 1190/2.9=9...(72) HD2 LYS 48 + HB2 LYS 48 OK 91 94 - 96 - 3.6=55, 1198/2.9=10...(72) HD3 LYS 48 + HB3 LYS 48 OK 83 87 - 96 - 3.6=55, 1190/2.9=9...(71) HD2 LYS 48 + HB3 LYS 48 OK 74 78 - 96 - 3.6=55, 1198/2.9=10...(71) HD3 LYS 93 + HB2 LYS 48 OK 61 92 - 67 - 1179/2.9=5, 1189/2.9=5...(32) HD3 LYS 93 + HB3 LYS 48 OK 47 75 - 63 - 1179/2.9=5, 1189/2.9=5...(28) HG3 ARG 141 - HB2 LYS 48 OK 29 85 - 34 - 1.8/4903=3, 4807/1.8=2...(14) HB2 MET 68 - HB2 LYS 36 OK 20 71 - 28 - ~679=3, ~679=2...(14) HD3 LYS 48 - HB2 LYS 36 OK 20 71 - 28 - 3.0/1174=3, 3.0/1185=3...(11) HG3 ARG 141 - HB3 LYS 48 OK 19 68 - 28 - 1.8/4903=3, 1190/2.9=2...(11) HD2 LYS 48 - HB2 LYS 36 OK 17 62 - 28 - 3.0/1174=3, 3.0/1185=3...(11) HG3 ARG 141 - HB2 LYS 36 OK 16 54 - 30 - 1.8/4903=3, ~679=3...(15) HD3 LYS 93 - HB2 LYS 36 poor 10 60 - 16 - 3083/3.0=1, ~3072=1, ~676=1 HG LEU 97 - HB2 LYS 48 lone 8 81 - 10 - ~10132=1 HB2 MET 68 - HB2 LYS 48 lone 7 100 - 7 - HG LEU 97 - HB3 LYS 48 lone 6 64 - 10 - HB2 MET 68 - HB3 LYS 48 lone 5 87 - 6 - HG13 ILE 136 - HB2 LYS 48 lone 4 96 - 4 - HG13 ILE 136 - HB3 LYS 48 lone 3 80 - 4 - HB2 ARG 145 - HB2 LYS 48 lone 3 99 - 3 - 4.0/7888=2 HB VAL 71 - HB2 LYS 36 lone 3 62 - 4 - ~9894=2 HB2 ARG 145 - HB3 LYS 48 lone 3 84 - 3 - 4.0/7888=2 HB2 LEU 95 - HB2 LYS 48 lone 2 94 - 3 - HG2 ARG 89 - HB2 LYS 48 lone 2 94 - 2 - HB2 LEU 95 - HB3 LYS 48 lone 2 78 - 2 - HB2 PRO 57 - HB2 LYS 36 lone 2 37 - 5 - ~10791=2, 2.3/10790=1 HG2 ARG 89 - HB2 LYS 36 lone 2 62 - 3 - HG2 ARG 89 - HB3 LYS 48 lone 2 78 - 2 - HB2 PRO 57 - HB2 LYS 48 lone 2 62 - 2 - HB VAL 71 - HB2 LYS 48 lone 1 94 - 2 - HG13 ILE 136 - HB2 LYS 36 lone 1 65 - 2 - HB2 ARG 145 - HB2 LYS 36 lone 1 68 - 2 - 4.0/7888=1 HG LEU 97 - HB2 LYS 36 lone 1 51 - 2 - HB2 PRO 57 - HB3 LYS 48 lone 1 48 - 2 - HB VAL 71 - HB3 LYS 48 lone 1 78 - 1 - HB2 LEU 95 - HB2 LYS 36 lone 1 62 - 1 - Peak 1157 from aliabs.peaks (2.95, 1.87, 31.89 ppm; 3.74 A): 12 out of 33 assignments used, quality = 1.00: * HE2 LYS 48 + HB2 LYS 48 OK 96 100 - 96 - 4.9=45, 3.6/1153=10...(85) HE3 LYS 48 + HB2 LYS 48 OK 95 99 - 96 - 4.9=45, 3.6/1153=10...(83) HE2 LYS 48 + HB3 LYS 48 OK 83 87 - 96 - 4.9=45, 3.6/1174=9...(79) HE2 LYS 93 + HB2 LYS 48 OK 81 100 - 81 - 1191/2.9=5, 1180/2.9=5...(75) HE3 LYS 48 + HB3 LYS 48 OK 80 84 - 96 - 4.9=45, 3.6/1174=9...(79) HE2 LYS 93 + HB3 LYS 48 OK 68 87 - 79 - 1191/2.9=5, 1180/2.9=5...(71) HE3 LYS 93 + HB2 LYS 48 OK 68 81 - 84 - 1191/2.9=5, 1180/2.9=4...(87) HE2 LYS 85 + HB2 LYS 48 OK 68 100 - 68 - 3.5/2607=4, 3.5/2618=4...(45) HE3 LYS 85 + HB2 LYS 48 OK 64 94 - 68 - 3.5/2607=4, 3.5/2618=4...(50) HE2 LYS 85 + HB3 LYS 48 OK 57 86 - 67 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 93 + HB3 LYS 48 OK 53 64 - 82 - 1191/2.9=5, 1180/2.9=4...(83) HE3 LYS 85 + HB3 LYS 48 OK 52 78 - 67 - 1191/2.9=4, 1180/2.9=4...(53) HB2 PHE 106 - HB2 LYS 48 OK 25 100 - 25 - 3431/3.0=3, ~11130=2...(14) HB2 PHE 106 - HB3 LYS 48 OK 21 87 - 25 - 3431/3.0=3, ~11130=2...(15) HE2 LYS 48 - HB2 LYS 36 OK 18 71 - 26 - 3.6/1174=4, 3.6/1185=4...(7) HE3 LYS 48 - HB2 LYS 36 OK 17 68 - 24 - 3.6/1174=4, 3.6/1185=4...(7) HE2 LYS 85 - HB2 LYS 36 OK 12 70 - 17 - ~677=1, 3.5/2618=1, 3.5/2607=1 HB3 PHE 67 - HB2 LYS 36 OK 12 71 - 17 - ~680=2, ~681=2, ~655=2...(10) HB2 TYR 115 - HB2 LYS 48 OK 11 100 - 11 - ~10216=2, ~4726=2...(4) HE2 LYS 93 - HB2 LYS 36 OK 10 71 - 14 - ~3072=1 HE3 LYS 85 - HB2 LYS 36 poor 10 62 - 16 - ~677=1, 3.5/2618=1, 3.5/2607=1 HB2 TYR 115 - HB3 LYS 48 poor 10 87 - 11 - ~10216=2, ~4726=2...(4) HB2 TYR 115 - HB2 LYS 36 poor 9 71 - 13 - ~10784=4, 4.5/10814=4...(4) HE3 LYS 93 - HB2 LYS 36 poor 7 51 - 13 - ~3072=1 HB3 PHE 67 - HB2 LYS 48 lone 4 100 - 4 - HB2 PHE 106 - HB2 LYS 36 lone 3 71 - 5 - ~9230=1 HB3 PHE 67 - HB3 LYS 48 lone 3 87 - 3 - HB2 TYR 119 - HB2 LYS 36 lone 1 41 - 2 - ~10705=1 HB2 TYR 119 - HB2 LYS 48 lone 1 68 - 1 - HB3 ASN 130 - HB2 LYS 36 lone 1 37 - 1 - HB2 TYR 119 - HB3 LYS 48 lone 0 52 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 0 62 - 1 - HB3 ASN 130 - HB3 LYS 48 lone 0 48 - 1 - Peak 1158 from aliabs.peaks (2.95, 1.87, 31.89 ppm; 3.73 A): 12 out of 33 assignments used, quality = 1.00: * HE3 LYS 48 + HB2 LYS 48 OK 96 100 - 96 - 4.9=45, 3.6/1153=10...(83) HE2 LYS 48 + HB2 LYS 48 OK 95 99 - 96 - 4.9=45, 3.6/1153=10...(85) HE3 LYS 48 + HB3 LYS 48 OK 83 87 - 96 - 4.9=45, 3.6/1174=9...(79) HE2 LYS 93 + HB2 LYS 48 OK 81 100 - 81 - 1191/2.9=5, 1180/2.9=5...(75) HE2 LYS 48 + HB3 LYS 48 OK 80 84 - 96 - 4.9=45, 3.6/1174=9...(79) HE3 LYS 93 + HB2 LYS 48 OK 79 94 - 84 - 1192/2.9=5, 1181/2.9=4...(87) HE2 LYS 85 + HB2 LYS 48 OK 68 100 - 68 - 3.5/2607=4, 3.5/2618=4...(45) HE3 LYS 85 + HB2 LYS 48 OK 67 100 - 68 - 3.5/2607=4, 3.5/2618=4...(50) HE2 LYS 93 + HB3 LYS 48 OK 67 85 - 79 - 1191/2.9=5, 1180/2.9=5...(71) HE3 LYS 93 + HB3 LYS 48 OK 63 78 - 82 - 1192/2.9=5, 1181/2.9=4...(83) HE2 LYS 85 + HB3 LYS 48 OK 57 86 - 67 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 85 + HB3 LYS 48 OK 57 85 - 66 - 1191/2.9=4, 1180/2.9=4...(52) HB2 PHE 106 - HB2 LYS 48 OK 24 98 - 25 - 3431/3.0=3, ~11130=2...(14) HB2 PHE 106 - HB3 LYS 48 OK 20 82 - 24 - 3431/3.0=3, ~11130=2...(15) HE3 LYS 48 - HB2 LYS 36 OK 17 71 - 24 - 3.6/1174=4, 3.6/1185=4...(7) HE2 LYS 48 - HB2 LYS 36 OK 17 68 - 25 - 3.6/1174=4, 3.6/1185=4...(7) HE2 LYS 85 - HB2 LYS 36 OK 12 70 - 17 - ~677=1, 3.5/2618=1, 3.5/2607=1 HE3 LYS 85 - HB2 LYS 36 OK 11 69 - 16 - ~677=1, 3.5/2618=1, 3.5/2607=1 HB3 PHE 67 - HB2 LYS 36 OK 11 67 - 16 - ~680=2, ~681=2, ~655=2...(10) HB2 TYR 115 - HB2 LYS 48 OK 11 99 - 11 - ~10216=2, ~4726=2...(4) HE2 LYS 93 - HB2 LYS 36 poor 10 69 - 14 - ~3072=1 HB2 TYR 115 - HB3 LYS 48 poor 9 84 - 11 - ~10216=2, ~4726=2...(4) HB2 TYR 115 - HB2 LYS 36 poor 9 68 - 13 - ~10784=4, 4.5/10814=4...(4) HE3 LYS 93 - HB2 LYS 36 poor 8 62 - 13 - ~3072=1, 3105/3.0=1 HB3 PHE 67 - HB2 LYS 48 lone 4 98 - 4 - HB2 PHE 106 - HB2 LYS 36 lone 3 67 - 4 - ~9230=1 HB3 PHE 67 - HB3 LYS 48 lone 3 82 - 3 - HB2 TYR 119 - HB2 LYS 36 lone 1 54 - 2 - ~10705=1 HB2 TYR 119 - HB2 LYS 48 lone 1 85 - 1 - HB3 ASN 130 - HB2 LYS 36 lone 1 51 - 2 - HB2 TYR 119 - HB3 LYS 48 lone 1 68 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 1 81 - 1 - HB3 ASN 130 - HB3 LYS 48 lone 0 64 - 1 - Peak 1160 from aliabs.peaks (4.22, 1.87, 31.89 ppm; 3.14 A): 9 out of 24 assignments used, quality = 0.90: * HA PHE 45 + HB3 LYS 48 OK 33 100 - 33 - 1019/3.8=10, 1021=10...(8) HA PHE 45 + HB2 LYS 48 OK 28 87 - 33 - 1019/3.8=10, 1020=10...(8) HA LYS 93 + HB3 LYS 48 OK 28 98 - 28 - 10469/2.9=4, 3016/3.6=3...(12) HA LYS 93 + HB2 LYS 48 OK 24 82 - 30 - 10469/2.9=4, 3016/3.6=3...(13) HA LYS 85 + HB3 LYS 48 OK 23 72 - 32 - 2572/1.8=3, 10469/2.9=2...(13) HA PHE 45 + HB2 LYS 36 OK 19 88 - 21 - 1021=7, ~704=2...(9) HA LYS 85 + HB2 LYS 48 OK 18 56 - 32 - 2.9/2584=3, 10469/2.9=2...(13) HA ILE 101 + HB3 LYS 48 OK 14 98 - 14 - 1021=4, 1020/1.8=3, 1019/3.8=3 HA ILE 101 + HB2 LYS 48 OK 11 82 - 14 - 1020=4, 1019/3.8=3, 1021/1.8=3 HA LYS 93 - HB2 LYS 36 poor 9 84 - 11 - 3015/3.0=2 HA ALA 134 - HB3 LYS 48 lone 8 98 - 8 - 2.1/10321=3, ~10321=2 HA ALA 134 - HB2 LYS 48 lone 7 82 - 8 - 2.1/10321=3, ~10321=2 HA LYS 85 - HB2 LYS 36 poor 7 58 - 11 - HA PHE 67 - HB2 LYS 36 poor 5 49 - 11 - ~680=1, ~681=1 HA THR 102 - HB3 LYS 48 lone 4 100 - 4 - HA THR 102 - HB2 LYS 48 lone 3 85 - 4 - HA PHE 67 - HB3 LYS 48 lone 2 62 - 4 - HB THR 102 - HB3 LYS 48 lone 2 62 - 3 - HA ALA 134 - HB2 LYS 36 lone 2 84 - 2 - HA ILE 101 - HB2 LYS 36 lone 2 84 - 2 - HA PHE 67 - HB2 LYS 48 lone 2 48 - 4 - HB THR 102 - HB2 LYS 48 lone 2 48 - 3 - HA THR 102 - HB2 LYS 36 lone 1 87 - 1 - HB THR 102 - HB2 LYS 36 lone 0 49 - 1 - Peak 1162 from aliabs.peaks (3.96, 1.87, 31.89 ppm; 3.20 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 48 + HB3 LYS 48 OK 100 100 - 100 - 3.0=100 HA LYS 48 + HB2 LYS 48 OK 87 87 - 100 - 3.0=100 HA LYS 48 - HB2 LYS 36 OK 35 88 - 39 - 1139=6, 1184/3.0=3...(19) HA PHE 106 - HB3 LYS 48 OK 18 89 - 21 - 1184/2.9=3, 1173/2.9=3...(6) HA3 GLY 143 - HB3 LYS 48 OK 15 100 - 15 - 1184/2.9=2, 3.5/7878=2...(7) HA PHE 106 - HB2 LYS 48 OK 15 72 - 21 - 1184/2.9=3, 1173/2.9=3...(6) HA3 GLY 143 - HB2 LYS 48 OK 13 86 - 15 - 1184/2.9=2, 3.5/7878=2...(7) HB3 SER 103 - HB3 LYS 48 OK 13 100 - 13 - 1173/2.9=2, 1184/2.9=2...(5) HB3 SER 103 - HB2 LYS 48 OK 11 87 - 13 - 1173/2.9=2, 1184/2.9=2...(5) HA ALA 60 - HB3 LYS 48 lone 9 96 - 10 - 1173/2.9=2, 1184/2.9=1 HA3 GLY 94 - HB3 LYS 48 lone 9 96 - 9 - 1173/2.9=2, 1184/2.9=2 HA3 GLY 143 - HB2 LYS 36 lone 8 88 - 9 - 3.5/7878=2, ~11639=1...(4) HA ALA 60 - HB2 LYS 48 lone 8 80 - 10 - 1173/2.9=2, 1184/2.9=1 HA3 GLY 94 - HB2 LYS 48 lone 8 80 - 9 - 1173/2.9=2, 1184/2.9=2 HA PHE 106 - HB2 LYS 36 lone 2 73 - 3 - HA3 GLY 94 - HB2 LYS 36 lone 1 82 - 2 - HB3 SER 103 - HB2 LYS 36 lone 1 88 - 1 - HA ALA 60 - HB2 LYS 36 lone 1 82 - 1 - Peak 1163 from aliabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 48 + HB3 LYS 48 OK 96 96 - 100 HB2 LYS 48 + HB2 LYS 48 OK 87 87 - 100 HB2 LYS 36 + HB2 LYS 36 OK 82 82 - 100 Reference assignment not found: HB2 LYS 48 - HB3 LYS 48 Peak 1164 from aliabs.peaks (1.87, 1.87, 31.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 48 + HB3 LYS 48 OK 100 100 - 100 HB2 LYS 36 + HB2 LYS 36 OK 88 88 - 100 HB2 LYS 48 + HB2 LYS 48 OK 80 80 - 100 Peak 1165 from aliabs.peaks (1.44, 1.87, 31.89 ppm; 2.96 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 48 + HB3 LYS 48 OK 100 100 - 100 - 2.9=100 HG2 LYS 48 + HB2 LYS 48 OK 87 87 - 100 - 2.9=100 HG2 LYS 48 - HB2 LYS 36 OK 41 88 - 46 - 1174=6, 1.8/1186=4...(22) HG2 LYS 24 - HB2 LYS 36 OK 27 88 - 31 - 10901/4.8=5, 10906/3.0=4...(10) HB3 LYS 114 - HB3 LYS 48 OK 18 77 - 24 - 1187/2.9=3, 3754/4.3=2...(6) HG2 LYS 24 - HB3 LYS 48 OK 15 100 - 15 - 1187/2.9=3, ~10899=1...(4) HB3 LYS 114 - HB2 LYS 48 OK 14 61 - 24 - 1187/2.9=3, 3754/4.3=2...(6) HG12 ILE 91 - HB3 LYS 48 OK 14 100 - 14 - 1187/2.9=2, ~9801=1...(4) HG2 LYS 24 - HB2 LYS 48 OK 13 86 - 15 - 1187/2.9=3, ~10899=1, 1141/3.0=1 HG12 ILE 91 - HB2 LYS 48 OK 12 85 - 14 - 1187/2.9=2, ~9801=1...(4) HB3 LYS 123 - HB3 LYS 48 OK 10 89 - 11 - 1187/2.9=2, ~4109=1 HB3 LYS 123 - HB2 LYS 48 poor 8 72 - 11 - 1187/2.9=2, ~4109=1 HG12 ILE 91 - HB2 LYS 36 lone 8 87 - 9 - 10079/4.5=2, ~8990=2 HB3 LYS 114 - HB2 LYS 36 lone 4 62 - 7 - 10202/3.9=2 HB3 LYS 123 - HB2 LYS 36 lone 1 73 - 1 - Peak 1166 from aliabs.peaks (1.61, 1.87, 31.89 ppm; 3.03 A): 5 out of 33 assignments used, quality = 1.00: * HG3 LYS 48 + HB3 LYS 48 OK 100 100 - 100 - 2.9=100 HG3 LYS 48 + HB2 LYS 48 OK 87 87 - 100 - 2.9=100 HG3 ARG 144 + HB3 LYS 48 OK 56 100 - 56 - 4912=9, 4912/1.8=7...(20) HG3 ARG 144 + HB2 LYS 48 OK 50 86 - 58 - 4912=9, 4912/1.8=7...(22) HG3 LYS 48 + HB2 LYS 36 OK 45 88 - 52 - 1186=6, 1.8/1174=5...(24) HG2 ARG 144 - HB3 LYS 48 OK 41 77 - 53 - 1.8/4912=7, 3.0/4894=5...(18) HG3 ARG 144 - HB2 LYS 36 OK 36 88 - 41 - 4912=6, 3.0/4894=4...(19) HG2 ARG 144 - HB2 LYS 48 OK 32 61 - 53 - 1.8/4912=7, 3.0/4894=5...(18) HG2 ARG 141 - HB3 LYS 48 OK 32 92 - 34 - 1177/2.9=3, 4903=2...(14) HG3 ARG 49 - HB2 LYS 36 OK 28 88 - 31 - ~8195=8, ~660=2, ~676=2...(13) HG2 ARG 141 - HB2 LYS 48 OK 28 75 - 37 - 1177/2.9=3, 4903=3...(16) HB2 LEU 87 - HB3 LYS 48 OK 27 96 - 28 - 3.2/10091=4, 3.1/10091=2...(11) HG2 ARG 141 - HB2 LYS 36 OK 26 76 - 34 - 2.8/668=3, ~679=3...(16) HG2 ARG 144 - HB2 LYS 36 OK 24 62 - 39 - 1.8/4912=5, 3.0/4894=4...(19) HB2 LEU 87 - HB2 LYS 48 OK 21 80 - 26 - 3.2/10091=3, ~10091=3...(11) HG3 ARG 49 - HB3 LYS 48 OK 20 100 - 20 - 1274/4.3=6, 1142/3.0=2...(4) HG3 ARG 49 - HB2 LYS 48 OK 17 87 - 20 - 1274/4.3=6, 1142/3.0=2...(4) HG LEU 108 - HB3 LYS 48 OK 15 94 - 16 - 3493/3.8=3, 1142/3.0=2...(6) HG LEU 108 - HB2 LYS 48 OK 12 78 - 16 - 3493/3.8=3, 1142/3.0=2...(5) HB2 LEU 97 - HB3 LYS 48 OK 12 89 - 13 - 3.2/10132=1, 1177/2.9=1 HB2 LEU 97 - HB2 LYS 48 poor 9 72 - 13 - 1177/2.9=1, ~10132=1 HD2 LYS 24 - HB3 LYS 48 poor 8 68 - 11 - 11345/4.3=2, 3.0/1165=1 HD2 LYS 24 - HB2 LYS 48 poor 6 52 - 11 - 11345/4.3=2 HD2 LYS 24 - HB2 LYS 36 lone 5 53 - 9 - 3.0/1165=2, ~676=2, 10913/3.0=1 HG LEU 108 - HB2 LYS 36 lone 4 79 - 5 - 10228/4.5=2 HB3 LEU 64 - HB3 LYS 48 lone 3 68 - 5 - HB2 LEU 87 - HB2 LYS 36 lone 3 82 - 3 - HB3 LEU 64 - HB2 LYS 48 lone 2 52 - 4 - HB2 LEU 97 - HB2 LYS 36 lone 2 73 - 3 - HG3 LYS 34 - HB2 LYS 36 lone 1 53 - 3 - HB3 LEU 64 - HB2 LYS 36 lone 1 53 - 2 - HG3 LYS 34 - HB3 LYS 48 lone 1 68 - 1 - HG3 LYS 34 - HB2 LYS 48 lone 1 52 - 1 - Peak 1167 from aliabs.peaks (1.67, 1.87, 31.89 ppm; 2.94 A): 6 out of 39 assignments used, quality = 1.00: * HD2 LYS 48 + HB3 LYS 48 OK 96 100 - 96 - 3.6=54, 1198/2.9=11...(71) HD3 LYS 48 + HB3 LYS 48 OK 90 94 - 96 - 3.6=54, 1198/2.9=9...(71) HD2 LYS 48 + HB2 LYS 48 OK 83 87 - 96 - 3.6=54, 1198/2.9=11...(72) HD3 LYS 48 + HB2 LYS 48 OK 74 78 - 96 - 3.6=54, 1198/2.9=9...(72) HD3 LYS 93 + HB3 LYS 48 OK 64 100 - 65 - 1189/2.9=6, 1178/2.9=6...(25) HD3 LYS 93 + HB2 LYS 48 OK 58 87 - 67 - 1189/2.9=6, 1178/2.9=6...(28) HD2 LYS 48 - HB2 LYS 36 OK 25 88 - 28 - 3.0/1174=3, 3.0/1186=3...(11) HB2 MET 68 - HB2 LYS 36 OK 23 82 - 28 - ~679=3, 1.8/668=3...(15) HD3 LYS 48 - HB2 LYS 36 OK 21 79 - 27 - 3.0/1174=3, 3.0/1186=3...(11) HD3 LYS 93 - HB2 LYS 36 OK 15 88 - 17 - 3083/3.0=1, ~3072=1, ~676=1 HB2 LYS 114 - HB3 LYS 48 OK 14 62 - 23 - 1.8/1165=2, 3.9/1171=2...(12) HB2 LYS 114 - HB2 LYS 48 OK 11 48 - 23 - 1.8/1153=2, 3.9/1159=2...(12) HB2 MET 68 - HB3 LYS 48 lone 6 96 - 6 - HB2 MET 68 - HB2 LYS 48 lone 5 80 - 6 - HB2 PRO 57 - HB2 LYS 36 lone 5 76 - 7 - ~10791=2, 2.3/10790=2 HG13 ILE 136 - HB3 LYS 48 lone 5 100 - 5 - HG2 ARG 124 - HB2 LYS 36 lone 5 66 - 7 - HB VAL 71 - HB2 LYS 36 lone 4 88 - 5 - ~9894=2 HG13 ILE 136 - HB2 LYS 48 lone 4 87 - 4 - HB2 ARG 145 - HB3 LYS 48 lone 3 100 - 3 - 4.0/7888=2 HB2 LEU 95 - HB3 LYS 48 lone 3 100 - 3 - HB2 PRO 57 - HB3 LYS 48 lone 3 92 - 3 - HG2 ARG 89 - HB2 LYS 36 lone 3 88 - 3 - HG2 ARG 89 - HB3 LYS 48 lone 3 100 - 2 - HB2 ARG 145 - HB2 LYS 48 lone 3 85 - 3 - 4.0/7888=2 HG2 ARG 140 - HB3 LYS 48 lone 2 81 - 3 - HB2 LEU 95 - HB2 LYS 48 lone 2 87 - 3 - HB2 LYS 114 - HB2 LYS 36 lone 2 49 - 5 - HB2 PRO 57 - HB2 LYS 48 lone 2 75 - 3 - HG2 ARG 89 - HB2 LYS 48 lone 2 87 - 2 - HG2 ARG 140 - HB2 LYS 36 lone 2 66 - 3 - HG13 ILE 136 - HB2 LYS 36 lone 2 88 - 2 - HG2 ARG 124 - HB3 LYS 48 lone 2 81 - 2 - HG2 ARG 140 - HB2 LYS 48 lone 2 64 - 3 - HB2 ARG 145 - HB2 LYS 36 lone 2 87 - 2 - 4.0/7888=1 HB VAL 71 - HB3 LYS 48 lone 2 100 - 2 - HG2 ARG 124 - HB2 LYS 48 lone 1 64 - 2 - HB VAL 71 - HB2 LYS 48 lone 1 87 - 2 - HB2 LEU 95 - HB2 LYS 36 lone 1 88 - 1 - Peak 1168 from aliabs.peaks (1.67, 1.87, 31.89 ppm; 2.94 A): 6 out of 36 assignments used, quality = 1.00: * HD3 LYS 48 + HB3 LYS 48 OK 96 100 - 96 - 3.6=54, 1190/2.9=9...(71) HD2 LYS 48 + HB3 LYS 48 OK 90 94 - 96 - 3.6=54, 1198/2.9=10...(71) HD3 LYS 48 + HB2 LYS 48 OK 83 87 - 96 - 3.6=54, 1190/2.9=9...(72) HD2 LYS 48 + HB2 LYS 48 OK 74 78 - 96 - 3.6=54, 1198/2.9=10...(72) HD3 LYS 93 + HB3 LYS 48 OK 58 92 - 63 - 1179/2.9=5, 1189/2.9=5...(26) HD3 LYS 93 + HB2 LYS 48 OK 49 75 - 66 - 1179/2.9=5, 1189/2.9=5...(29) HG3 ARG 141 - HB3 LYS 48 OK 26 85 - 31 - 1.8/4903=3, 1190/2.9=2...(12) HB2 MET 68 - HB2 LYS 36 OK 25 88 - 28 - ~679=3, 1.8/668=3...(15) HD3 LYS 48 - HB2 LYS 36 OK 24 88 - 27 - 3.0/1174=3, 3.0/1186=3...(11) HG3 ARG 141 - HB2 LYS 48 OK 23 68 - 34 - 1.8/4903=3, 4807/1.8=2...(14) HG3 ARG 141 - HB2 LYS 36 OK 22 70 - 32 - 1.8/4903=3, 2.8/668=3...(16) HD2 LYS 48 - HB2 LYS 36 OK 22 79 - 27 - 3.0/1174=3, 3.0/1186=3...(11) HD3 LYS 93 - HB2 LYS 36 OK 13 76 - 16 - 3083/3.0=1, ~3072=1, ~676=1 HG LEU 97 - HB3 LYS 48 poor 9 81 - 11 - 2.1/10132=2 HG LEU 97 - HB2 LYS 48 poor 7 64 - 10 - ~10132=1, 2.1/10132=1 HB2 MET 68 - HB3 LYS 48 lone 6 100 - 6 - HB2 MET 68 - HB2 LYS 48 lone 6 87 - 7 - HG13 ILE 136 - HB3 LYS 48 lone 4 96 - 4 - HB VAL 71 - HB2 LYS 36 lone 4 79 - 4 - ~9894=2 HG13 ILE 136 - HB2 LYS 48 lone 3 80 - 4 - HB2 ARG 145 - HB3 LYS 48 lone 3 99 - 3 - 4.0/7888=2 HB2 PRO 57 - HB2 LYS 36 lone 3 49 - 6 - ~10791=2, 2.3/10790=2 HB2 ARG 145 - HB2 LYS 48 lone 3 84 - 3 - 4.0/7888=2 HB2 LEU 95 - HB3 LYS 48 lone 2 94 - 2 - HG2 ARG 89 - HB2 LYS 36 lone 2 79 - 3 - HG2 ARG 89 - HB3 LYS 48 lone 2 94 - 2 - HB2 LEU 95 - HB2 LYS 48 lone 2 78 - 2 - HG LEU 97 - HB2 LYS 36 lone 2 66 - 3 - HG13 ILE 136 - HB2 LYS 36 lone 2 82 - 2 - HG2 ARG 89 - HB2 LYS 48 lone 2 78 - 2 - HB2 ARG 145 - HB2 LYS 36 lone 2 85 - 2 - 4.0/7888=1 HB2 PRO 57 - HB3 LYS 48 lone 2 62 - 3 - HB VAL 71 - HB3 LYS 48 lone 1 94 - 1 - HB2 PRO 57 - HB2 LYS 48 lone 1 48 - 2 - HB VAL 71 - HB2 LYS 48 lone 1 78 - 1 - HB2 LEU 95 - HB2 LYS 36 lone 1 79 - 1 - Peak 1169 from aliabs.peaks (2.95, 1.87, 31.89 ppm; 3.72 A): 12 out of 33 assignments used, quality = 1.00: * HE2 LYS 48 + HB3 LYS 48 OK 96 100 - 96 - 4.9=44, 3.6/1165=9...(79) HE3 LYS 48 + HB3 LYS 48 OK 95 99 - 96 - 4.9=44, 3.6/1165=9...(79) HE2 LYS 48 + HB2 LYS 48 OK 83 87 - 96 - 4.9=44, 3.6/1174=9...(85) HE3 LYS 48 + HB2 LYS 48 OK 80 84 - 96 - 4.9=44, 3.6/1174=9...(83) HE2 LYS 93 + HB3 LYS 48 OK 79 100 - 79 - 1191/2.9=5, 1180/2.9=5...(71) HE2 LYS 93 + HB2 LYS 48 OK 70 87 - 80 - 1191/2.9=5, 1180/2.9=5...(74) HE3 LYS 93 + HB3 LYS 48 OK 67 81 - 82 - 1191/2.9=5, 1180/2.9=4...(83) HE2 LYS 85 + HB3 LYS 48 OK 66 100 - 66 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 85 + HB3 LYS 48 OK 62 94 - 66 - 1191/2.9=4, 1180/2.9=4...(50) HE2 LYS 85 + HB2 LYS 48 OK 57 86 - 66 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 93 + HB2 LYS 48 OK 53 64 - 83 - 1191/2.9=5, 1180/2.9=4...(86) HE3 LYS 85 + HB2 LYS 48 OK 51 78 - 66 - 1191/2.9=4, 1180/2.9=4...(49) HB2 PHE 106 - HB3 LYS 48 OK 25 100 - 25 - 3431/3.0=3, ~11130=2...(15) HE2 LYS 48 - HB2 LYS 36 OK 22 88 - 25 - 3.6/1174=4, 3.6/1186=4...(7) HB2 PHE 106 - HB2 LYS 48 OK 21 87 - 24 - 3431/3.0=3, ~11130=2...(14) HE3 LYS 48 - HB2 LYS 36 OK 20 85 - 24 - 3.6/1174=4, 3.6/1186=4...(7) HB3 PHE 67 - HB2 LYS 36 OK 15 88 - 17 - ~680=2, ~681=2, ~655=2...(10) HE2 LYS 85 - HB2 LYS 36 OK 14 88 - 16 - ~677=1, 3.5/2607=1, 3.5/2618=1 HB2 TYR 115 - HB2 LYS 36 OK 14 88 - 15 - 4.5/10814=6, ~10784=4...(4) HE2 LYS 93 - HB2 LYS 36 OK 13 88 - 14 - ~3072=1 HB2 TYR 115 - HB3 LYS 48 OK 12 100 - 12 - 4.5/10814=2, ~10216=2...(4) HE3 LYS 85 - HB2 LYS 36 OK 12 79 - 15 - ~677=1, 3.5/2607=1, 3.5/2618=1 HB2 TYR 115 - HB2 LYS 48 OK 10 87 - 11 - ~10216=2, 4.5/10814=2...(4) HE3 LYS 93 - HB2 LYS 36 poor 9 66 - 13 - ~3072=1 HB2 PHE 106 - HB2 LYS 36 lone 4 88 - 5 - ~9230=1 HB3 PHE 67 - HB3 LYS 48 lone 4 100 - 4 - HB3 PHE 67 - HB2 LYS 48 lone 3 87 - 4 - HB2 TYR 119 - HB2 LYS 36 lone 1 53 - 2 - ~10705=1 HB3 ASN 130 - HB2 LYS 36 lone 1 49 - 1 - HB2 TYR 119 - HB3 LYS 48 lone 1 68 - 1 - HB2 TYR 119 - HB2 LYS 48 lone 0 52 - 1 - HB3 ASN 130 - HB3 LYS 48 lone 0 62 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 0 48 - 1 - Peak 1170 from aliabs.peaks (2.95, 1.87, 31.89 ppm; 3.75 A): 12 out of 33 assignments used, quality = 1.00: * HE3 LYS 48 + HB3 LYS 48 OK 96 100 - 96 - 4.9=45, 3.6/1165=10...(79) HE2 LYS 48 + HB3 LYS 48 OK 95 99 - 96 - 4.9=45, 3.6/1165=10...(79) HE3 LYS 48 + HB2 LYS 48 OK 83 87 - 96 - 4.9=45, 3.6/1174=9...(83) HE2 LYS 48 + HB2 LYS 48 OK 81 84 - 96 - 4.9=45, 3.6/1174=9...(85) HE2 LYS 93 + HB3 LYS 48 OK 79 100 - 80 - 1191/2.9=5, 1180/2.9=5...(71) HE3 LYS 93 + HB3 LYS 48 OK 78 94 - 83 - 1192/2.9=5, 1181/2.9=4...(83) HE2 LYS 93 + HB2 LYS 48 OK 69 85 - 81 - 1191/2.9=5, 1180/2.9=5...(74) HE2 LYS 85 + HB3 LYS 48 OK 66 100 - 66 - 1180/2.9=4, 1191/2.9=4...(45) HE3 LYS 85 + HB3 LYS 48 OK 66 100 - 66 - 1191/2.9=4, 1180/2.9=4...(54) HE3 LYS 93 + HB2 LYS 48 OK 65 78 - 84 - 1192/2.9=5, 1181/2.9=4...(86) HE2 LYS 85 + HB2 LYS 48 OK 57 86 - 67 - 1180/2.9=4, 1191/2.9=4...(46) HE3 LYS 85 + HB2 LYS 48 OK 56 85 - 66 - 1191/2.9=4, 1180/2.9=4...(50) HB2 PHE 106 - HB3 LYS 48 OK 24 98 - 25 - 3431/3.0=3, ~11130=2...(16) HE2 LYS 48 - HB2 LYS 36 OK 22 85 - 25 - 3.6/1174=4, 3.6/1186=4...(7) HE3 LYS 48 - HB2 LYS 36 OK 21 88 - 24 - 3.6/1174=4, 3.6/1186=4...(7) HB2 PHE 106 - HB2 LYS 48 OK 20 82 - 25 - 3431/3.0=3, ~11130=2...(16) HB3 PHE 67 - HB2 LYS 36 OK 15 84 - 17 - ~680=2, ~681=2, ~655=2...(10) HE2 LYS 85 - HB2 LYS 36 OK 14 88 - 16 - ~677=2, 3.5/2607=1, 3.5/2618=1 HE3 LYS 85 - HB2 LYS 36 OK 13 87 - 15 - ~677=2, 3.5/2607=1, 3.5/2618=1 HB2 TYR 115 - HB2 LYS 36 OK 13 85 - 16 - 4.5/10814=6, ~10784=4...(4) HE2 LYS 93 - HB2 LYS 36 OK 13 87 - 15 - ~3072=1 HB2 TYR 115 - HB3 LYS 48 OK 12 99 - 12 - 4.5/10814=3, ~10216=2...(4) HE3 LYS 93 - HB2 LYS 36 OK 11 79 - 14 - ~3072=1, 3105/3.0=1 HB2 TYR 115 - HB2 LYS 48 poor 10 84 - 12 - ~10216=2, 4.5/10814=2...(4) HB2 PHE 106 - HB2 LYS 36 lone 4 84 - 5 - ~9230=1 HB3 PHE 67 - HB3 LYS 48 lone 4 98 - 4 - HB3 PHE 67 - HB2 LYS 48 lone 3 82 - 4 - HB2 TYR 119 - HB2 LYS 36 lone 1 70 - 2 - ~10705=1 HB3 ASN 130 - HB2 LYS 36 lone 1 66 - 2 - HB2 TYR 119 - HB3 LYS 48 lone 1 85 - 1 - HB2 TYR 119 - HB2 LYS 48 lone 1 68 - 1 - HB3 ASN 130 - HB3 LYS 48 lone 1 81 - 1 - HB3 ASN 130 - HB2 LYS 48 lone 1 64 - 1 - Peak 1173 from aliabs.peaks (3.96, 1.44, 25.35 ppm; 3.26 A): 1 out of 6 assignments used, quality = 0.94: * HA LYS 48 + HG2 LYS 48 OK 94 100 - 94 - 3.8=63, 1184/1.8=18...(42) HA PHE 106 - HG2 LYS 48 OK 18 89 - 20 - 1184/1.8=4, 3421/3.6=2...(8) HB3 SER 103 - HG2 LYS 48 OK 13 100 - 13 - 1184/1.8=3, 10146/3.6=2...(4) HA3 GLY 94 - HG2 LYS 48 OK 11 96 - 12 - 1184/1.8=2, ~7104=1...(4) HA3 GLY 143 - HG2 LYS 48 OK 11 100 - 11 - 1184/1.8=3, ~11636=2...(5) HA ALA 60 - HG2 LYS 48 lone 9 96 - 9 - 1184/1.8=2, ~8325=1, ~8325=1 Peak 1174 from aliabs.peaks (1.87, 1.44, 25.35 ppm; 2.80 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 48 + HG2 LYS 48 OK 99 100 - 99 - 2.9=93, 3.0/1141=13...(68) HB3 LYS 48 + HG2 LYS 48 OK 95 96 - 99 - 2.9=93, 3.0/1141=13...(68) HB2 LYS 36 - HG2 LYS 48 OK 40 96 - 41 - 1153=5, 1185/1.8=4...(21) HB2 ARG 144 - HG2 LYS 48 OK 34 100 - 34 - 4888/1.8=4, 3.0/1177=3...(13) HB3 LYS 85 - HG2 LYS 48 OK 28 100 - 28 - 1185/1.8=3, 2.9/8186=2...(12) HB3 LYS 76 - HG2 LYS 48 OK 14 85 - 16 - 2264=2, 1185/1.8=1 HB3 LEU 126 - HG2 LYS 48 lone 6 92 - 7 - HB3 GLU 28 - HG2 LYS 48 lone 6 81 - 7 - 3.0/8054=2, ~10542=1 HG LEU 69 - HG2 LYS 48 lone 5 89 - 6 - Peak 1175 from aliabs.peaks (1.87, 1.44, 25.35 ppm; 2.80 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 48 + HG2 LYS 48 OK 99 100 - 99 - 2.9=93, 3.0/1141=13...(68) HB2 LYS 48 + HG2 LYS 48 OK 95 96 - 99 - 2.9=93, 3.0/1141=13...(68) HB2 LYS 36 - HG2 LYS 48 OK 42 100 - 42 - 1165=5, 1186/1.8=4...(21) HB2 ARG 144 - HG2 LYS 48 OK 34 100 - 34 - 4888/1.8=4, 3.0/1177=3...(13) HB3 LYS 93 - HG2 LYS 48 OK 32 57 - 57 - 3.4/1178=4, 3.4/1179=4...(25) HB3 LYS 85 - HG2 LYS 48 OK 24 89 - 27 - 1185/1.8=2, 2.9/8186=2...(12) HB3 ARG 141 - HG2 LYS 48 OK 23 72 - 32 - 2.8/1177=3, 1186/1.8=2...(12) HB3 LEU 126 - HG2 LYS 48 lone 4 68 - 6 - HG LEU 69 - HG2 LYS 48 lone 4 62 - 6 - Peak 1176 from aliabs.peaks (1.44, 1.44, 25.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 48 + HG2 LYS 48 OK 100 100 - 100 Peak 1177 from aliabs.peaks (1.61, 1.44, 25.35 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HG3 LYS 48 + HG2 LYS 48 OK 100 100 - 100 - 1.8=100 HG3 ARG 144 - HG2 LYS 48 OK 31 100 - 31 - 4912/2.9=4, 4912/2.9=4...(4) HG2 ARG 141 - HG2 LYS 48 OK 23 92 - 26 - 1.8/1179=2, ~4808=1...(9) HG2 ARG 144 - HG2 LYS 48 OK 20 77 - 26 - 3.0/1174=2, 4903/2.9=2...(6) HB2 LEU 87 - HG2 LYS 48 OK 17 96 - 17 - 3.1/10771=3, 3.2/11145=2 HG3 ARG 49 - HG2 LYS 48 OK 12 100 - 12 - 1274/4.9=3 HG LEU 108 - HG2 LYS 48 OK 10 94 - 11 - 5.1/1172=2, 3493/4.9=1 HB2 LEU 97 - HG2 LYS 48 poor 9 89 - 10 - HD2 LYS 24 - HG2 LYS 48 poor 7 68 - 11 - 3.0/10899=2, 5.3/11320=1 HB3 LEU 64 - HG2 LYS 48 lone 2 68 - 2 - HG3 LYS 34 - HG2 LYS 48 lone 1 68 - 1 - Peak 1178 from aliabs.peaks (1.67, 1.44, 25.35 ppm; 2.54 A): 3 out of 13 assignments used, quality = 0.99: * HD2 LYS 48 + HG2 LYS 48 OK 91 100 - 91 - 3.0=63, 1189/1.8=10...(50) HD3 LYS 48 + HG2 LYS 48 OK 86 94 - 91 - 3.0=63, 1.8/1198=12...(47) HD3 LYS 93 + HG2 LYS 48 OK 62 100 - 62 - 1198=7, 1189/1.8=7...(24) HB2 LYS 114 - HG2 LYS 48 OK 14 62 - 23 - 2.9/3768=2, 3745=2...(10) HG13 ILE 136 - HG2 LYS 48 lone 6 100 - 6 - HB2 MET 68 - HG2 LYS 48 lone 5 96 - 5 - HB2 LEU 95 - HG2 LYS 48 lone 4 100 - 4 - HG2 ARG 89 - HG2 LYS 48 lone 3 100 - 3 - HB2 PRO 57 - HG2 LYS 48 lone 2 92 - 2 - HG2 ARG 124 - HG2 LYS 48 lone 2 81 - 2 - HG2 ARG 140 - HG2 LYS 48 lone 2 81 - 2 - HB2 ARG 145 - HG2 LYS 48 lone 2 100 - 2 - HB VAL 71 - HG2 LYS 48 lone 2 100 - 2 - Peak 1179 from aliabs.peaks (1.67, 1.44, 25.35 ppm; 2.54 A): 3 out of 12 assignments used, quality = 0.99: * HD3 LYS 48 + HG2 LYS 48 OK 91 100 - 91 - 3.0=63, 1.8/1198=12...(47) HD2 LYS 48 + HG2 LYS 48 OK 85 94 - 90 - 3.0=63, 1.8/1198=10...(50) HD3 LYS 93 + HG2 LYS 48 OK 56 92 - 61 - 1198=7, 1189/1.8=6...(24) HG3 ARG 141 - HG2 LYS 48 OK 22 85 - 26 - 1.8/1177=3, 1190/1.8=3...(5) HG LEU 97 - HG2 LYS 48 lone 8 81 - 10 - 1190/1.8=1 HG13 ILE 136 - HG2 LYS 48 lone 6 96 - 6 - HB2 MET 68 - HG2 LYS 48 lone 5 100 - 5 - HB2 LEU 95 - HG2 LYS 48 lone 3 94 - 4 - HG2 ARG 89 - HG2 LYS 48 lone 3 94 - 3 - HB2 ARG 145 - HG2 LYS 48 lone 2 99 - 2 - HB VAL 71 - HG2 LYS 48 lone 1 94 - 1 - HB2 PRO 57 - HG2 LYS 48 lone 1 62 - 2 - Peak 1180 from aliabs.peaks (2.95, 1.44, 25.35 ppm; 3.21 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 48 + HG2 LYS 48 OK 96 100 - 96 - 3.6=72, 3.0/1198=12...(72) HE3 LYS 48 + HG2 LYS 48 OK 95 99 - 96 - 3.6=72, 3.0/1198=12...(69) HE2 LYS 93 + HG2 LYS 48 OK 73 100 - 73 - 3.0/1178=7, 3.0/1179=7...(38) HE3 LYS 93 + HG2 LYS 48 OK 60 81 - 74 - 3.0/1178=7, 3.0/1179=7...(35) HE2 LYS 85 + HG2 LYS 48 OK 55 100 - 55 - 1220=5, 1191/1.8=4...(22) HE3 LYS 85 + HG2 LYS 48 OK 51 94 - 54 - 1191/1.8=4, 1220=4...(22) HB2 PHE 106 - HG2 LYS 48 OK 17 100 - 17 - 3.0/1173=4, ~11130=2...(6) HB2 TYR 115 - HG2 LYS 48 OK 11 100 - 11 - 4.0/7421=2, 2.5/4726=2...(4) HB3 PHE 67 - HG2 LYS 48 lone 4 100 - 4 - HB3 ASN 130 - HG2 LYS 48 lone 0 62 - 1 - HB2 TYR 119 - HG2 LYS 48 lone 0 68 - 0 - Peak 1181 from aliabs.peaks (2.95, 1.44, 25.35 ppm; 3.61 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 48 + HG2 LYS 48 OK 100 100 - 100 - 3.6=100 HE2 LYS 48 + HG2 LYS 48 OK 99 99 - 100 - 3.6=100 HE2 LYS 93 + HG2 LYS 48 OK 80 100 - 81 - 3.0/1178=8, 3.0/1179=8...(58) HE3 LYS 93 + HG2 LYS 48 OK 77 94 - 82 - 3.0/1178=8, 3.0/1179=8...(57) HE2 LYS 85 + HG2 LYS 48 OK 64 100 - 64 - 1191/1.8=5, 1220=5...(37) HE3 LYS 85 + HG2 LYS 48 OK 63 100 - 63 - 1191/1.8=5, 1.8/1220=4...(35) HB2 PHE 106 - HG2 LYS 48 OK 21 98 - 22 - 3.0/1173=4, ~11130=3...(6) HB2 TYR 115 - HG2 LYS 48 OK 14 99 - 14 - 4.0/7421=3, 2.5/4726=3...(4) HB3 PHE 67 - HG2 LYS 48 lone 5 98 - 5 - 3.7/6649=1 HB2 TYR 119 - HG2 LYS 48 lone 1 85 - 1 - HB3 ASN 130 - HG2 LYS 48 lone 1 81 - 1 - Peak 1184 from aliabs.peaks (3.96, 1.61, 25.35 ppm; 3.46 A): 1 out of 6 assignments used, quality = 0.97: * HA LYS 48 + HG3 LYS 48 OK 97 100 - 97 - 3.8=75, 1141/1.8=28...(43) HA PHE 106 - HG3 LYS 48 OK 23 89 - 26 - 1173/1.8=4, 3.6/9239=3...(11) HA3 GLY 143 - HG3 LYS 48 OK 16 100 - 16 - 1.8/11636=3, 1173/1.8=3...(8) HB3 SER 103 - HG3 LYS 48 OK 15 100 - 15 - 1173/1.8=3, 10146/3.6=2...(7) HA3 GLY 94 - HG3 LYS 48 OK 13 96 - 14 - 1173/1.8=3, ~7104=1...(4) HA ALA 60 - HG3 LYS 48 OK 11 96 - 11 - 1173/1.8=2, 2.1/8325=2 Peak 1185 from aliabs.peaks (1.87, 1.61, 25.35 ppm; 2.81 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 48 + HG3 LYS 48 OK 99 100 - 99 - 2.9=93, 1153/1.8=11...(65) HB3 LYS 48 + HG3 LYS 48 OK 95 96 - 99 - 2.9=93, 1174/1.8=10...(65) HB2 LYS 36 - HG3 LYS 48 OK 41 96 - 43 - 1174/1.8=4, 3.0/688=4...(22) HB2 ARG 144 - HG3 LYS 48 OK 35 100 - 35 - 4887=5, 1.8/4897=4...(11) HB3 LYS 85 - HG3 LYS 48 OK 27 100 - 27 - 1174/1.8=3, 2.9/10469=2...(11) HB3 LYS 76 - HG3 LYS 48 OK 11 85 - 12 - 1.8/1187=2, 1174/1.8=1 HB3 LEU 126 - HG3 LYS 48 lone 7 92 - 7 - HB3 GLU 28 - HG3 LYS 48 lone 6 81 - 7 - 3.0/10542=2, ~8054=1 HG LEU 69 - HG3 LYS 48 lone 5 89 - 6 - Peak 1186 from aliabs.peaks (1.87, 1.61, 25.35 ppm; 2.81 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 48 + HG3 LYS 48 OK 99 100 - 99 - 2.9=93, 1165/1.8=10...(65) HB2 LYS 48 + HG3 LYS 48 OK 95 96 - 99 - 2.9=93, 1153/1.8=10...(65) HB2 LYS 36 - HG3 LYS 48 OK 43 100 - 43 - 1174/1.8=4, 3.0/688=4...(22) HB2 ARG 144 - HG3 LYS 48 OK 34 100 - 35 - 4887=5, 1.8/4897=4...(11) HB3 LYS 93 - HG3 LYS 48 OK 32 57 - 56 - 3.4/1189=4, 3.4/1190=3...(27) HB3 LYS 85 - HG3 LYS 48 OK 24 89 - 27 - 1174/1.8=3, 2.9/10469=2...(11) HB3 ARG 141 - HG3 LYS 48 OK 23 72 - 32 - 2.8/4808=2, 4790=2...(9) HB3 LEU 126 - HG3 LYS 48 lone 4 68 - 6 - HG LEU 69 - HG3 LYS 48 lone 4 62 - 6 - Peak 1187 from aliabs.peaks (1.44, 1.61, 25.35 ppm; 2.52 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 48 + HG3 LYS 48 OK 100 100 - 100 - 1.8=100 HB3 LYS 114 - HG3 LYS 48 OK 15 77 - 19 - ~3745=2, 3.9/1193=2...(8) HG2 LYS 24 - HG3 LYS 48 OK 14 100 - 14 - 1.8/10898=2, ~10899=2, 698=1 HG12 ILE 91 - HG3 LYS 48 OK 12 100 - 12 - 3.0/9823=2, ~9801=1 HB3 LYS 123 - HG3 LYS 48 lone 9 89 - 9 - Peak 1188 from aliabs.peaks (1.61, 1.61, 25.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 48 + HG3 LYS 48 OK 100 100 - 100 Peak 1189 from aliabs.peaks (1.67, 1.61, 25.35 ppm; 2.50 A): 3 out of 13 assignments used, quality = 0.99: * HD2 LYS 48 + HG3 LYS 48 OK 89 100 - 89 - 3.0=60, 1198/1.8=12...(43) HD3 LYS 48 + HG3 LYS 48 OK 84 94 - 89 - 3.0=60, 1198/1.8=10...(41) HD3 LYS 93 + HG3 LYS 48 OK 60 100 - 60 - 1178/1.8=7, 1199=6...(24) HB2 LYS 114 - HG3 LYS 48 OK 11 62 - 18 - 1.8/1187=3, 3.9/1193=2...(4) HG13 ILE 136 - HG3 LYS 48 lone 6 100 - 6 - HB2 MET 68 - HG3 LYS 48 lone 5 96 - 5 - HB2 LEU 95 - HG3 LYS 48 lone 4 100 - 4 - HG2 ARG 89 - HG3 LYS 48 lone 3 100 - 3 - HB2 ARG 145 - HG3 LYS 48 lone 3 100 - 3 - 4.0/7890=1 HG2 ARG 140 - HG3 LYS 48 lone 2 81 - 3 - HB2 PRO 57 - HG3 LYS 48 lone 2 92 - 2 - HG2 ARG 124 - HG3 LYS 48 lone 2 81 - 2 - HB VAL 71 - HG3 LYS 48 lone 2 100 - 2 - Peak 1190 from aliabs.peaks (1.67, 1.61, 25.35 ppm; 2.50 A): 3 out of 12 assignments used, quality = 0.99: * HD3 LYS 48 + HG3 LYS 48 OK 89 100 - 89 - 3.0=60, 1179/1.8=10...(41) HD2 LYS 48 + HG3 LYS 48 OK 84 94 - 89 - 3.0=60, 1198/1.8=11...(43) HD3 LYS 93 + HG3 LYS 48 OK 54 92 - 59 - 1179/1.8=6, 1199=6...(24) HG3 ARG 141 - HG3 LYS 48 OK 23 85 - 27 - 4808=4, 1179/1.8=2...(8) HG LEU 97 - HG3 LYS 48 poor 9 81 - 11 - 3211=1, 2.1/3225=1, 2.1/3218=1 HG13 ILE 136 - HG3 LYS 48 lone 5 96 - 6 - HB2 MET 68 - HG3 LYS 48 lone 5 100 - 5 - HB2 LEU 95 - HG3 LYS 48 lone 3 94 - 4 - HG2 ARG 89 - HG3 LYS 48 lone 3 94 - 3 - HB2 ARG 145 - HG3 LYS 48 lone 3 99 - 3 - 4.0/7890=1 HB VAL 71 - HG3 LYS 48 lone 1 94 - 1 - HB2 PRO 57 - HG3 LYS 48 lone 1 62 - 2 - Peak 1191 from aliabs.peaks (2.95, 1.61, 25.35 ppm; 3.15 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 48 + HG3 LYS 48 OK 95 100 - 95 - 3.6=68, 3.0/1189=10...(65) HE3 LYS 48 + HG3 LYS 48 OK 93 99 - 94 - 3.6=68, 3.0/1189=10...(61) HE2 LYS 93 + HG3 LYS 48 OK 69 100 - 69 - 3.0/1189=7, 1221=5...(33) HE3 LYS 93 + HG3 LYS 48 OK 59 81 - 72 - 3.0/1189=7, 3.0/1190=5...(34) HE2 LYS 85 + HG3 LYS 48 OK 51 100 - 52 - 1180/1.8=4, 1221=4...(20) HE3 LYS 85 + HG3 LYS 48 OK 49 94 - 52 - 1180/1.8=4, 1.8/1221=3...(20) HB2 PHE 106 - HG3 LYS 48 OK 16 100 - 16 - 3.0/1184=3, 4.6/9239=2...(6) HB2 TYR 115 - HG3 LYS 48 lone 7 100 - 7 - ~10216=2, ~4726=1, ~10213=1 HB3 PHE 67 - HG3 LYS 48 lone 2 100 - 2 - HB3 ASN 130 - HG3 LYS 48 lone 0 62 - 1 - HB2 TYR 119 - HG3 LYS 48 lone 0 68 - 0 - Peak 1192 from aliabs.peaks (2.95, 1.61, 25.35 ppm; 3.60 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 48 + HG3 LYS 48 OK 100 100 - 100 - 3.6=100 HE2 LYS 48 + HG3 LYS 48 OK 99 99 - 100 - 3.6=100 HE2 LYS 93 + HG3 LYS 48 OK 78 100 - 79 - 3.0/1189=8, 1180/1.8=6...(54) HE3 LYS 93 + HG3 LYS 48 OK 78 94 - 82 - 3.0/1189=8, 3.0/1190=6...(57) HE3 LYS 85 + HG3 LYS 48 OK 62 100 - 63 - 1180/1.8=4, 1.8/1221=4...(35) HE2 LYS 85 + HG3 LYS 48 OK 62 100 - 62 - 1180/1.8=5, 1221=4...(32) HB2 PHE 106 - HG3 LYS 48 OK 20 98 - 21 - 3.0/1184=4, 4.6/9239=3...(6) HB2 TYR 115 - HG3 LYS 48 lone 10 99 - 10 - ~10216=2, ~4726=2...(4) HB3 PHE 67 - HG3 LYS 48 lone 3 98 - 3 - HB3 ASN 130 - HG3 LYS 48 lone 1 81 - 1 - HB2 TYR 119 - HG3 LYS 48 lone 1 85 - 1 - Peak 1195 from aliabs.peaks (3.96, 1.67, 28.90 ppm; 3.47 A): 4 out of 24 assignments used, quality = 1.00: * HA LYS 48 + HD2 LYS 48 OK 93 100 - 93 - 5.3=29, 1141/3.0=21...(48) HA LYS 48 + HD3 LYS 48 OK 75 81 - 93 - 5.3=29, 1141/3.0=21...(48) HA LYS 48 + HD3 LYS 93 OK 61 100 - 62 - 1143=10, 1144/1.8=7...(26) HA3 GLY 94 + HD3 LYS 93 OK 53 96 - 55 - 9054/3.4=8, 3.0/10107=6...(18) HA3 GLY 94 - HG13 ILE 136 OK 26 79 - 33 - 9056/2.1=6, ~10458=5...(9) HA PHE 106 - HD2 LYS 48 OK 21 89 - 23 - 1184/3.0=4, 1173/3.0=3...(7) HB3 SER 103 - HD2 LYS 48 OK 16 100 - 16 - 10146/3.0=3, 10146/3.0=3...(6) HA PHE 106 - HD3 LYS 48 OK 15 66 - 23 - 1184/3.0=4, 1173/3.0=3...(7) HA3 GLY 94 - HD2 LYS 48 OK 14 96 - 15 - 1173/3.0=2, 1184/3.0=2...(7) HA ALA 60 - HG13 ILE 136 OK 14 79 - 17 - 8317/2.3=4, ~8326=4...(6) HB3 SER 103 - HD3 LYS 48 OK 13 80 - 16 - 10146/3.0=3, 10146/3.0=3...(6) HB3 SER 103 - HD3 LYS 93 OK 12 100 - 12 - 10152/4.9=3, ~10154=2...(5) HA3 GLY 94 - HD3 LYS 48 OK 10 74 - 14 - 1173/3.0=2, 1184/3.0=2...(6) HA3 GLY 143 - HD2 LYS 48 lone 10 100 - 10 - 1184/3.0=2, 1173/3.0=2...(5) HA ALA 60 - HD2 LYS 48 lone 9 96 - 9 - 1173/3.0=2, 1184/3.0=2, ~8325=1 HA3 GLY 143 - HD3 LYS 48 lone 8 80 - 10 - 1184/3.0=2, 1173/3.0=2...(5) HA PHE 106 - HD3 LYS 93 lone 7 88 - 7 - HA ALA 60 - HD3 LYS 48 lone 7 74 - 9 - 1173/3.0=2, 1184/3.0=2, ~8325=1 HB3 SER 103 - HG13 ILE 136 lone 5 86 - 6 - ~9679=1, ~9679=1, ~10326=1 HA PHE 106 - HG13 ILE 136 lone 5 71 - 6 - ~10213=2, 4.8/4628=2, ~9225=1 HA LYS 48 - HG13 ILE 136 lone 4 86 - 5 - HA3 GLY 143 - HD3 LYS 93 lone 3 100 - 3 - HA ALA 60 - HD3 LYS 93 lone 3 96 - 3 - HA3 GLY 143 - HG13 ILE 136 lone 1 85 - 1 - Peak 1196 from aliabs.peaks (1.87, 1.67, 28.90 ppm; 2.63 A): 7 out of 36 assignments used, quality = 1.00: * HB2 LYS 48 + HD2 LYS 48 OK 90 100 - 90 - 3.6=39, 2.9/1198=9...(61) HB3 LYS 48 + HD2 LYS 48 OK 86 96 - 90 - 3.6=39, 2.9/1198=9...(62) HB2 LYS 48 + HD3 LYS 48 OK 72 81 - 90 - 3.6=39, 2.9/1198=7...(61) HB3 LYS 48 + HD3 LYS 48 OK 66 74 - 89 - 3.6=39, 2.9/1198=7...(62) HB2 LYS 48 + HD3 LYS 93 OK 58 100 - 58 - 2.9/1189=5, 2.9/1178=5...(24) HB3 LYS 48 + HD3 LYS 93 OK 53 96 - 55 - 2.9/1189=5, 2.9/1178=5...(22) HB3 LYS 85 + HD3 LYS 93 OK 52 99 - 53 - 1.8/3084=3, 2595/1.8=3...(23) HB3 LYS 76 - HD3 LYS 93 OK 29 85 - 34 - 3.0/3052=2, 2268/3.0=2...(10) HB3 LYS 85 - HD2 LYS 48 OK 28 100 - 28 - 1.8/3084=2, 1174/3.0=2...(6) HB3 LEU 126 - HD3 LYS 93 OK 21 91 - 23 - 3080=5, 3069/1.8=3...(10) HB2 LYS 36 - HD2 LYS 48 OK 21 96 - 22 - 1174/3.0=2, 1185/3.0=2...(8) HB3 LYS 85 - HD3 LYS 48 OK 20 79 - 26 - 1174/3.0=2, 1185/3.0=2...(5) HB2 ARG 144 - HD2 LYS 48 OK 17 100 - 17 - 4888/3.0=2, 1174/3.0=2...(4) HB2 LYS 36 - HD3 LYS 48 OK 15 74 - 20 - 1174/3.0=2, 1185/3.0=2...(7) HB2 ARG 144 - HD3 LYS 48 OK 12 79 - 16 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB2 LYS 36 - HD3 LYS 93 OK 12 96 - 12 - 3.0/3083=1 HG LEU 69 - HG13 ILE 136 OK 11 71 - 15 - 2.1/9934=3, ~8473=1...(5) HB3 GLU 28 - HD3 LYS 93 lone 8 81 - 9 - ~8049=2, ~8054=1, ~8050=1 HB3 LYS 76 - HD2 LYS 48 lone 7 85 - 9 - 1.8/1198=1 HB3 LEU 126 - HD2 LYS 48 lone 6 92 - 6 - HG LEU 69 - HD3 LYS 93 lone 5 88 - 6 - 2.1/9934=1 HB3 LYS 76 - HD3 LYS 48 lone 5 62 - 8 - HB3 LEU 126 - HD3 LYS 48 lone 4 69 - 6 - HB3 LYS 76 - HG13 ILE 136 lone 4 67 - 6 - HG LEU 69 - HD2 LYS 48 lone 4 89 - 4 - 2.1/9893=1 HB3 GLU 28 - HD2 LYS 48 lone 3 81 - 4 - HB2 LYS 48 - HG13 ILE 136 lone 3 86 - 4 - HB3 LYS 48 - HG13 ILE 136 lone 3 79 - 4 - HG LEU 69 - HD3 LYS 48 lone 3 66 - 4 - 2.1/9893=1 HB3 LYS 85 - HG13 ILE 136 lone 3 84 - 3 - HB3 GLU 28 - HD3 LYS 48 lone 2 59 - 4 - HB2 ARG 144 - HD3 LYS 93 lone 2 99 - 2 - HB3 LEU 126 - HG13 ILE 136 lone 2 74 - 3 - HB2 LYS 36 - HG13 ILE 136 lone 1 79 - 2 - HB2 ARG 144 - HG13 ILE 136 lone 1 84 - 1 - HB3 GLU 28 - HG13 ILE 136 lone 0 64 - 0 - Peak 1197 from aliabs.peaks (1.87, 1.67, 28.90 ppm; 2.63 A): 8 out of 36 assignments used, quality = 1.00: * HB3 LYS 48 + HD2 LYS 48 OK 90 100 - 90 - 3.6=39, 2.9/1198=9...(62) HB2 LYS 48 + HD2 LYS 48 OK 87 96 - 90 - 3.6=39, 2.9/1198=9...(61) HB3 LYS 48 + HD3 LYS 48 OK 72 81 - 89 - 3.6=39, 2.9/1198=7...(62) HB2 LYS 48 + HD3 LYS 48 OK 66 74 - 90 - 3.6=39, 2.9/1198=7...(61) HB3 LYS 48 + HD3 LYS 93 OK 56 100 - 56 - 2.9/1189=5, 2.9/1178=5...(23) HB2 LYS 48 + HD3 LYS 93 OK 55 96 - 58 - 2.9/1189=5, 2.9/1178=5...(23) HB3 LYS 93 + HD3 LYS 93 OK 53 57 - 93 - 3.4=44, 1.8/3080=16...(57) HB3 LYS 85 + HD3 LYS 93 OK 46 88 - 52 - 1.8/3084=3, 3.0/3082=3...(23) HB3 LYS 93 - HD2 LYS 48 OK 40 57 - 70 - 1.8/3080=8, ~3069=5...(37) HB3 LYS 93 - HD3 LYS 48 OK 27 39 - 67 - 1.8/3080=6, ~3080=4...(39) HB3 LYS 85 - HD2 LYS 48 OK 24 89 - 27 - 1.8/3084=2, 1174/3.0=2...(6) HB2 LYS 36 - HD2 LYS 48 OK 22 100 - 22 - 1174/3.0=2, 1186/3.0=2...(8) HB3 ARG 141 - HD2 LYS 48 OK 17 72 - 24 - 4791/1.8=2, 1.8/1969=1...(7) HB2 ARG 144 - HD2 LYS 48 OK 17 100 - 17 - 4888/3.0=2, 1174/3.0=2...(4) HB3 LYS 85 - HD3 LYS 48 OK 17 66 - 25 - 1174/3.0=2, 1185/3.0=1...(5) HB2 LYS 36 - HD3 LYS 48 OK 16 81 - 20 - 1174/3.0=2, 1186/3.0=2...(8) HB3 ARG 141 - HD3 LYS 93 OK 14 72 - 19 - 4791/1.8=2, ~4782=1...(5) HB3 LEU 126 - HD3 LYS 93 OK 14 67 - 20 - 3080=4, 3069/1.8=2...(9) HB2 LYS 36 - HD3 LYS 93 OK 13 100 - 13 - 3.0/3083=1 HB2 ARG 144 - HD3 LYS 48 OK 12 79 - 16 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB3 LYS 93 - HG13 ILE 136 OK 11 43 - 26 - 1.8/3080=4, 4.1/3078=2...(12) HB3 ARG 141 - HD3 LYS 48 poor 10 51 - 19 - 1175/3.0=1, 1186/3.0=1 HG LEU 69 - HG13 ILE 136 poor 6 47 - 14 - 2.1/9934=3, ~8473=1, ~8477=1 HB3 LEU 126 - HD2 LYS 48 lone 4 68 - 6 - HB3 LYS 48 - HG13 ILE 136 lone 3 86 - 4 - HG LEU 69 - HD3 LYS 93 lone 3 62 - 5 - 2.1/9934=1 HB2 LYS 48 - HG13 ILE 136 lone 3 79 - 4 - HB3 LEU 126 - HD3 LYS 48 lone 3 47 - 5 - HG LEU 69 - HD2 LYS 48 lone 2 62 - 4 - 2.1/9893=1 HB3 ARG 141 - HG13 ILE 136 lone 2 56 - 4 - HB2 ARG 144 - HD3 LYS 93 lone 2 99 - 2 - HB3 LYS 85 - HG13 ILE 136 lone 2 71 - 3 - HB2 LYS 36 - HG13 ILE 136 lone 2 86 - 2 - HG LEU 69 - HD3 LYS 48 lone 2 43 - 4 - 2.1/9893=1 HB3 LEU 126 - HG13 ILE 136 lone 1 52 - 2 - HB2 ARG 144 - HG13 ILE 136 lone 1 84 - 1 - Peak 1198 from aliabs.peaks (1.44, 1.67, 28.90 ppm; 2.50 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 48 + HD2 LYS 48 OK 89 100 - 89 - 3.0=60, 1.8/1189=10...(49) HG2 LYS 48 + HD3 LYS 48 OK 72 81 - 89 - 3.0=60, 1178/1.8=10...(47) HG2 LYS 48 + HD3 LYS 93 OK 62 100 - 63 - 1178=11, 1.8/1189=7...(23) HG2 LYS 24 + HD3 LYS 93 OK 57 100 - 58 - 10906/3.0=10, 3083=8...(27) HB3 LYS 114 - HD3 LYS 93 OK 23 77 - 30 - 3756=3, 2.9/3778=3...(10) HG12 ILE 91 - HD3 LYS 93 OK 15 99 - 15 - 3083=1, ~8661=1 HG2 LYS 24 - HD2 LYS 48 OK 13 100 - 13 - 1187/3.0=2, 10906/3063=1 HB3 LYS 114 - HD2 LYS 48 OK 12 77 - 15 - 1187/3.0=2, 3.9/1204=1, ~3745=1 HG12 ILE 91 - HG13 ILE 136 OK 11 84 - 13 - 10649/2.1=2, 2971/3.7=1 HG12 ILE 91 - HD2 LYS 48 OK 10 100 - 10 - 1187/3.0=2 HG2 LYS 24 - HD3 LYS 48 poor 9 80 - 12 - 1187/3.0=2 HB3 LYS 114 - HD3 LYS 48 poor 9 55 - 16 - 1187/3.0=2, 3.9/1204=1...(4) HG12 ILE 91 - HD3 LYS 48 lone 8 79 - 10 - 1187/3.0=2 HB3 LYS 123 - HG13 ILE 136 poor 7 71 - 10 - ~9687=5, 4.2/4627=1 HB3 LYS 123 - HD2 LYS 48 lone 6 89 - 7 - 1187/3.0=1 HG2 LYS 48 - HG13 ILE 136 lone 6 86 - 7 - 1178=1 HB3 LYS 114 - HG13 ILE 136 lone 5 60 - 8 - HB3 LYS 123 - HD3 LYS 48 lone 4 66 - 7 - 1187/3.0=1 HG2 LYS 24 - HG13 ILE 136 lone 4 85 - 4 - HB3 LYS 123 - HD3 LYS 93 lone 2 88 - 3 - Peak 1199 from aliabs.peaks (1.61, 1.67, 28.90 ppm; 2.50 A): 3 out of 44 assignments used, quality = 0.99: * HG3 LYS 48 + HD2 LYS 48 OK 90 100 - 90 - 3.0=60, 1.8/1198=12...(44) HG3 LYS 48 + HD3 LYS 48 OK 72 81 - 89 - 3.0=60, 1189/1.8=10...(42) HG3 LYS 48 + HD3 LYS 93 OK 62 100 - 62 - 1189=11, 1.8/1178=7...(24) HD2 LYS 24 - HD3 LYS 93 OK 27 67 - 40 - 10911/1.8=12...(10) HG3 ARG 144 - HD2 LYS 48 OK 21 100 - 21 - 1177/3.0=3, 4912/3.6=2 HG2 ARG 141 - HD2 LYS 48 OK 19 92 - 21 - 1177/3.0=2, 4800/1.8=2 HG2 ARG 141 - HD3 LYS 93 OK 16 91 - 18 - 4800/1.8=2, 1.8/3084=1 HG3 ARG 144 - HD3 LYS 48 OK 16 80 - 20 - 1177/3.0=3, 4912/3.6=2 HG2 ARG 144 - HD2 LYS 48 OK 13 77 - 17 - 1177/3.0=2, 4800/1.8=2...(4) HG2 ARG 141 - HD3 LYS 48 OK 12 69 - 18 - 1177/3.0=2, 4800=1 HB2 LEU 97 - HG13 ILE 136 poor 10 71 - 14 - ~10340=2, ~10467=2, 3201/2.3=1 HB2 LEU 87 - HD2 LYS 48 lone 9 96 - 10 - 1177/3.0=1 HG2 ARG 144 - HD3 LYS 48 poor 9 55 - 16 - 1177/3.0=2, 4903/3.6=1 HB2 LEU 97 - HD2 LYS 48 lone 8 89 - 9 - HG3 ARG 49 - HG13 ILE 136 lone 8 86 - 9 - ~9669=2, ~9669=2 HG LEU 108 - HG13 ILE 136 poor 8 77 - 10 - 3499/2.1=1 HG3 ARG 49 - HD2 LYS 48 lone 8 100 - 8 - 5.0/1204=1 HB2 LEU 87 - HD3 LYS 48 lone 7 74 - 10 - 1177/3.0=1 HG LEU 108 - HD2 LYS 48 lone 7 94 - 7 - HB2 LEU 97 - HD3 LYS 93 lone 6 88 - 7 - HG3 ARG 49 - HD3 LYS 48 lone 6 81 - 7 - 5.0/1204=1 HB2 LEU 87 - HD3 LYS 93 lone 6 96 - 6 - HG3 LYS 48 - HG13 ILE 136 lone 6 86 - 6 - 1189=1 HG LEU 108 - HD3 LYS 48 lone 5 71 - 7 - HD2 LYS 24 - HD2 LYS 48 lone 5 68 - 7 - HB2 LEU 97 - HD3 LYS 48 lone 4 66 - 6 - HD2 LYS 24 - HD3 LYS 48 lone 3 47 - 7 - HG LEU 108 - HD3 LYS 93 lone 2 94 - 3 - HB3 LEU 64 - HG13 ILE 136 lone 3 52 - 5 - ~11015=2, ~10624=1 HG3 ARG 144 - HD3 LYS 93 lone 2 100 - 2 - HG2 ARG 141 - HG13 ILE 136 lone 2 74 - 2 - HG3 ARG 49 - HD3 LYS 93 lone 2 100 - 2 - HG2 ARG 144 - HD3 LYS 93 lone 1 77 - 2 - HD2 LYS 24 - HG13 ILE 136 lone 1 52 - 2 - HB2 LEU 87 - HG13 ILE 136 lone 1 79 - 1 - HB3 LEU 64 - HD3 LYS 93 lone 1 67 - 1 - HG3 ARG 144 - HG13 ILE 136 lone 1 85 - 1 - HB3 LEU 64 - HD2 LYS 48 lone 1 68 - 1 - HG3 LYS 34 - HD3 LYS 93 lone 0 67 - 1 - HG3 LYS 34 - HG13 ILE 136 lone 0 52 - 1 - HB3 LEU 64 - HD3 LYS 48 lone 0 47 - 1 - HG2 ARG 144 - HG13 ILE 136 lone 0 60 - 1 - HG3 LYS 34 - HD2 LYS 48 lone 0 68 - 1 - HG3 LYS 34 - HD3 LYS 48 lone 0 47 - 0 - Peak 1200 from aliabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 48 + HD2 LYS 48 OK 100 100 - 100 HD3 LYS 93 + HD3 LYS 93 OK 100 100 - 100 HG13 ILE 136 + HG13 ILE 136 OK 86 86 - 100 HD3 LYS 48 + HD3 LYS 48 OK 71 71 - 100 Peak 1201 from aliabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 48 + HD2 LYS 48 OK 94 94 - 100 HD3 LYS 93 + HD3 LYS 93 OK 91 91 - 100 HD3 LYS 48 + HD3 LYS 48 OK 81 81 - 100 HG13 ILE 136 + HG13 ILE 136 OK 79 79 - 100 Reference assignment not found: HD3 LYS 48 - HD2 LYS 48 Peak 1202 from aliabs.peaks (2.95, 1.67, 28.90 ppm; 2.52 A): 11 out of 44 assignments used, quality = 1.00: HE2 LYS 93 + HD3 LYS 93 OK 87 100 - 87 - 3.0=61, 1.8/3107=6...(41) * HE2 LYS 48 + HD2 LYS 48 OK 81 100 - 81 - 3.0=61, 3.6/1198=6...(42) HE3 LYS 48 + HD2 LYS 48 OK 79 99 - 80 - 3.0=61, 3.6/1198=6...(38) HE3 LYS 93 + HD3 LYS 93 OK 70 81 - 87 - 3.0=61, 3075/1.8=5...(41) HE2 LYS 48 + HD3 LYS 48 OK 65 81 - 80 - 3.0=61, 3.6/1198=5...(42) HE3 LYS 48 + HD3 LYS 48 OK 62 78 - 80 - 3.0=61, 3.6/1198=5...(38) HE2 LYS 48 + HD3 LYS 93 OK 61 100 - 61 - 3096=5, 3075/1.8=4...(23) HE2 LYS 85 + HD3 LYS 93 OK 59 100 - 60 - 3096=5, 3075/1.8=4...(20) HE3 LYS 48 + HD3 LYS 93 OK 57 99 - 57 - 3096=5, 3075/1.8=4...(22) HE3 LYS 85 + HD3 LYS 93 OK 54 94 - 58 - 3107=4, 3075/1.8=4...(18) HE2 LYS 93 + HD2 LYS 48 OK 46 100 - 46 - 3.0/3074=4, 1222=2...(17) HE3 LYS 93 - HD2 LYS 48 OK 39 81 - 47 - 3.0/3074=4, 3.8/3063=2...(20) HE2 LYS 93 - HD3 LYS 48 OK 36 80 - 46 - 3.0/3074=3, 1191/3.0=2...(15) HE2 LYS 85 - HD2 LYS 48 OK 33 100 - 33 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 30 94 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 93 - HD3 LYS 48 OK 27 59 - 47 - 3.0/3074=3, 3.8/3063=2...(18) HE2 LYS 85 - HD3 LYS 48 OK 26 80 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 22 71 - 32 - 1191/3.0=2, 1180/3.0=2...(4) HE2 LYS 93 - HG13 ILE 136 OK 14 86 - 16 - 3.0/3074=1, 3096=1...(6) HB2 PHE 106 - HD2 LYS 48 OK 12 100 - 12 - 3.0/1195=1 HE3 LYS 93 - HG13 ILE 136 poor 10 64 - 15 - 3.0/3074=1, 3107=1...(5) HB2 PHE 106 - HD3 LYS 48 poor 9 80 - 11 - HB2 TYR 115 - HD2 LYS 48 lone 6 100 - 6 - HB2 TYR 115 - HG13 ILE 136 lone 5 86 - 6 - ~4728=1, 9366/1.8=1, ~10217=1 HE2 LYS 48 - HG13 ILE 136 lone 5 86 - 5 - HE3 LYS 48 - HG13 ILE 136 lone 4 83 - 5 - HB2 TYR 115 - HD3 LYS 93 lone 4 100 - 4 - 4.0/7420=1 HB2 TYR 115 - HD3 LYS 48 lone 4 81 - 5 - HB2 PHE 106 - HD3 LYS 93 lone 4 100 - 4 - HB3 PHE 67 - HG13 ILE 136 lone 3 86 - 4 - ~9665=1 HB3 PHE 67 - HD2 LYS 48 lone 2 100 - 2 - HE2 LYS 85 - HG13 ILE 136 lone 2 85 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 2 100 - 2 - HE3 LYS 85 - HG13 ILE 136 lone 2 77 - 2 - HB3 PHE 67 - HD3 LYS 48 lone 2 80 - 2 - HB2 TYR 119 - HG13 ILE 136 lone 1 52 - 3 - ~9669=1 HB3 ASN 130 - HD3 LYS 93 lone 1 62 - 2 - HB2 TYR 119 - HD3 LYS 93 lone 1 67 - 1 - HB2 PHE 106 - HG13 ILE 136 lone 0 86 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 62 - 1 - HB3 ASN 130 - HD3 LYS 48 lone 0 43 - 1 - HB2 TYR 119 - HD2 LYS 48 lone 0 68 - 0 - HB2 TYR 119 - HD3 LYS 48 lone 0 47 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 47 - 0 - Peak 1203 from aliabs.peaks (2.95, 1.67, 28.90 ppm; 2.50 A): 11 out of 44 assignments used, quality = 1.00: HE2 LYS 93 + HD3 LYS 93 OK 85 99 - 86 - 3.0=60, 1.8/3107=6...(38) HE3 LYS 93 + HD3 LYS 93 OK 81 94 - 86 - 3.0=60, 3076/1.8=5...(36) * HE3 LYS 48 + HD2 LYS 48 OK 79 100 - 79 - 3.0=60, 3.6/1198=6...(36) HE2 LYS 48 + HD2 LYS 48 OK 79 99 - 79 - 3.0=60, 3.6/1198=6...(38) HE3 LYS 48 + HD3 LYS 48 OK 63 81 - 79 - 3.0=60, 3.6/1198=5...(35) HE2 LYS 48 + HD3 LYS 48 OK 61 78 - 79 - 3.0=60, 3.6/1198=5...(38) HE2 LYS 48 + HD3 LYS 93 OK 60 99 - 61 - 3096=5, 3075/1.8=4...(23) HE2 LYS 85 + HD3 LYS 93 OK 59 100 - 59 - 3096=5, 3075/1.8=4...(20) HE3 LYS 85 + HD3 LYS 93 OK 58 99 - 58 - 3107=6, 3075/1.8=4...(17) HE3 LYS 48 + HD3 LYS 93 OK 57 100 - 57 - 3107=5, 3075/1.8=4...(20) HE2 LYS 93 + HD2 LYS 48 OK 45 100 - 45 - 3.0/3074=4, 1222=2...(16) HE3 LYS 93 - HD2 LYS 48 OK 44 94 - 47 - 3.0/3074=4, 3107=3...(20) HE2 LYS 93 - HD3 LYS 48 OK 35 79 - 45 - 3.0/3074=3, 1191/3.0=2...(14) HE3 LYS 93 - HD3 LYS 48 OK 33 71 - 46 - 3.0/3074=3, 3107=2...(18) HE2 LYS 85 - HD2 LYS 48 OK 32 100 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 32 100 - 32 - 3107=2, 1191/3.0=2...(5) HE2 LYS 85 - HD3 LYS 48 OK 25 80 - 31 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 25 79 - 31 - 1191/3.0=2, 1180/3.0=2...(4) HE2 LYS 93 - HG13 ILE 136 OK 13 84 - 15 - 3.0/3074=1, 3096=1...(5) HE3 LYS 93 - HG13 ILE 136 OK 12 77 - 15 - 3107=2, 3.0/3074=1...(4) HB2 PHE 106 - HD2 LYS 48 OK 11 98 - 11 - 3.0/1195=1 HB2 PHE 106 - HD3 LYS 48 poor 8 76 - 11 - HB2 TYR 115 - HD2 LYS 48 lone 5 99 - 5 - HB2 TYR 115 - HG13 ILE 136 lone 5 83 - 6 - ~4728=1, 9366/1.8=1, ~10217=1 HE3 LYS 48 - HG13 ILE 136 lone 5 86 - 5 - HE2 LYS 48 - HG13 ILE 136 lone 4 83 - 5 - HB2 TYR 115 - HD3 LYS 93 lone 4 99 - 4 - HB2 TYR 115 - HD3 LYS 48 lone 4 78 - 5 - HB2 PHE 106 - HD3 LYS 93 lone 3 98 - 3 - HB3 PHE 67 - HG13 ILE 136 lone 3 81 - 4 - ~9665=1 HB3 PHE 67 - HD2 LYS 48 lone 2 98 - 2 - HE2 LYS 85 - HG13 ILE 136 lone 2 85 - 2 - HE3 LYS 85 - HG13 ILE 136 lone 2 84 - 2 - HB2 TYR 119 - HG13 ILE 136 lone 2 67 - 3 - ~9669=1 HB3 PHE 67 - HD3 LYS 93 lone 2 98 - 2 - HB3 PHE 67 - HD3 LYS 48 lone 2 76 - 2 - HB3 ASN 130 - HD3 LYS 93 lone 1 81 - 2 - HB2 TYR 119 - HD3 LYS 93 lone 1 85 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 81 - 1 - HB2 PHE 106 - HG13 ILE 136 lone 0 81 - 1 - HB2 TYR 119 - HD2 LYS 48 lone 0 85 - 0 - HB3 ASN 130 - HD3 LYS 48 lone 0 59 - 1 - HB2 TYR 119 - HD3 LYS 48 lone 0 62 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 64 - 0 - Peak 1206 from aliabs.peaks (3.96, 1.67, 28.90 ppm; 3.38 A): 2 out of 24 assignments used, quality = 0.98: * HA LYS 48 + HD3 LYS 48 OK 91 100 - 91 - 5.3=26, 1141/3.0=20...(48) HA LYS 48 + HD2 LYS 48 OK 73 81 - 91 - 5.3=26, 1141/3.0=20...(48) HA LYS 48 - HD3 LYS 93 OK 42 73 - 58 - 1143=9, 1144/1.8=6...(24) HA3 GLY 94 - HD3 LYS 93 OK 35 67 - 52 - 9054/3.4=8, ~7100=5...(19) HA3 GLY 94 - HG13 ILE 136 OK 19 63 - 30 - 9056/2.1=6, ~10458=5...(9) HA PHE 106 - HD3 LYS 48 OK 19 89 - 21 - 1184/3.0=3, 1173/3.0=3...(7) HB3 SER 103 - HD3 LYS 48 OK 15 100 - 15 - 10146/3.0=3, 10146/3.0=3...(6) HA PHE 106 - HD2 LYS 48 OK 14 66 - 22 - 1184/3.0=3, 1173/3.0=3...(7) HA3 GLY 94 - HD3 LYS 48 OK 14 96 - 14 - 3.0/7104=3, 1173/3.0=2...(6) HB3 SER 103 - HD2 LYS 48 OK 12 80 - 15 - 10146/3.0=3, 10146/3.0=3...(6) HA3 GLY 94 - HD2 LYS 48 OK 10 74 - 14 - 1173/3.0=2, 1184/3.0=2...(5) HA ALA 60 - HG13 ILE 136 poor 10 63 - 16 - 8317/2.3=4, ~8326=3...(6) HA3 GLY 143 - HD3 LYS 48 lone 9 100 - 9 - 1184/3.0=2, 1173/3.0=2, ~11636=2 HA ALA 60 - HD3 LYS 48 lone 8 96 - 8 - 1173/3.0=2, 1184/3.0=2 HB3 SER 103 - HD3 LYS 93 poor 8 73 - 11 - 10152/4.9=2, ~10154=2...(4) HA3 GLY 143 - HD2 LYS 48 lone 7 80 - 9 - 1184/3.0=2, 1173/3.0=2, ~11636=2 HA ALA 60 - HD2 LYS 48 lone 6 74 - 8 - 1173/3.0=2, 1184/3.0=2 HA PHE 106 - HD3 LYS 93 lone 4 59 - 7 - HB3 SER 103 - HG13 ILE 136 lone 4 69 - 5 - ~9679=1, ~9679=1 HA LYS 48 - HG13 ILE 136 lone 3 69 - 4 - HA PHE 106 - HG13 ILE 136 lone 3 55 - 6 - ~10213=2, 4.8/4628=1, ~9225=1 HA3 GLY 143 - HD3 LYS 93 lone 2 73 - 3 - HA ALA 60 - HD3 LYS 93 lone 2 67 - 2 - HA3 GLY 143 - HG13 ILE 136 lone 1 69 - 1 - Peak 1207 from aliabs.peaks (1.87, 1.67, 28.90 ppm; 2.61 A): 4 out of 36 assignments used, quality = 1.00: * HB2 LYS 48 + HD3 LYS 48 OK 89 100 - 89 - 3.6=38, 2.9/1190=7...(61) HB3 LYS 48 + HD3 LYS 48 OK 86 96 - 89 - 3.6=38, 2.9/1190=7...(62) HB2 LYS 48 + HD2 LYS 48 OK 72 81 - 89 - 3.6=38, 2.9/1198=7...(61) HB3 LYS 48 + HD2 LYS 48 OK 66 74 - 89 - 3.6=38, 2.9/1198=7...(62) HB2 LYS 48 - HD3 LYS 93 OK 41 73 - 56 - 2.9/1189=4, 2.9/1178=4...(22) HB3 LYS 85 - HD3 LYS 93 OK 36 72 - 51 - 2595/1.8=3, 2598/3.0=3...(21) HB3 LYS 48 - HD3 LYS 93 OK 35 67 - 53 - 2.9/1189=4, 2.9/1178=4...(20) HB3 LYS 85 - HD3 LYS 48 OK 26 100 - 26 - 1174/3.0=2, 1185/3.0=2...(6) HB3 LYS 85 - HD2 LYS 48 OK 20 79 - 26 - 1174/3.0=2, 1185/3.0=2...(5) HB2 LYS 36 - HD3 LYS 48 OK 20 96 - 21 - 1174/3.0=2, 1185/3.0=2...(8) HB3 LYS 76 - HD3 LYS 93 OK 18 56 - 33 - 3.0/3052=2, 2268/3.0=2...(10) HB2 ARG 144 - HD3 LYS 48 OK 16 100 - 16 - 4888/3.0=2, 1174/3.0=2...(4) HB2 LYS 36 - HD2 LYS 48 OK 15 74 - 20 - 1174/3.0=2, 1185/3.0=2...(7) HB3 LEU 126 - HD3 LYS 93 OK 14 62 - 22 - 3080=3, 3069/1.8=3...(10) HB2 ARG 144 - HD2 LYS 48 OK 13 79 - 16 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HG LEU 69 - HG13 ILE 136 poor 8 55 - 15 - 2.1/9934=3, ~8473=1...(5) HB2 LYS 36 - HD3 LYS 93 poor 8 67 - 12 - HB3 LYS 76 - HD3 LYS 48 lone 7 85 - 8 - HB3 LEU 126 - HD3 LYS 48 lone 7 92 - 7 - 3069=1, 3.1/10257=1 HB3 LYS 76 - HD2 LYS 48 lone 5 62 - 8 - 1.8/1198=1 HB3 GLU 28 - HD3 LYS 93 lone 5 53 - 9 - ~8049=2, ~8054=1, ~8050=1 HB3 LEU 126 - HD2 LYS 48 lone 4 69 - 6 - HG LEU 69 - HD3 LYS 48 lone 4 89 - 4 - 2.1/9893=1 HG LEU 69 - HD3 LYS 93 lone 4 59 - 6 - 2.1/9934=1 HB3 GLU 28 - HD3 LYS 48 lone 3 81 - 4 - HB3 LYS 76 - HG13 ILE 136 lone 3 53 - 5 - HG LEU 69 - HD2 LYS 48 lone 3 66 - 4 - 2.1/9893=1 HB3 GLU 28 - HD2 LYS 48 lone 2 59 - 4 - HB2 LYS 48 - HG13 ILE 136 lone 2 69 - 3 - HB3 LYS 48 - HG13 ILE 136 lone 2 63 - 3 - HB3 LYS 85 - HG13 ILE 136 lone 2 68 - 3 - HB3 LEU 126 - HG13 ILE 136 lone 2 58 - 3 - HB2 ARG 144 - HD3 LYS 93 lone 1 72 - 2 - HB2 LYS 36 - HG13 ILE 136 lone 1 63 - 2 - HB2 ARG 144 - HG13 ILE 136 lone 1 68 - 1 - HB3 GLU 28 - HG13 ILE 136 lone 0 49 - 0 - Peak 1208 from aliabs.peaks (1.87, 1.67, 28.90 ppm; 2.61 A): 4 out of 36 assignments used, quality = 1.00: * HB3 LYS 48 + HD3 LYS 48 OK 89 100 - 89 - 3.6=38, 2.9/1190=7...(62) HB2 LYS 48 + HD3 LYS 48 OK 86 96 - 89 - 3.6=38, 2.9/1190=7...(61) HB3 LYS 48 + HD2 LYS 48 OK 72 81 - 89 - 3.6=38, 2.9/1198=7...(62) HB2 LYS 48 + HD2 LYS 48 OK 66 74 - 89 - 3.6=38, 2.9/1198=7...(61) HB3 LYS 93 - HD3 LYS 48 OK 40 57 - 69 - 1.8/3069=8, ~3080=4...(37) HB3 LYS 48 - HD3 LYS 93 OK 39 73 - 54 - 2.9/1189=4, 2.9/1178=4...(20) HB2 LYS 48 - HD3 LYS 93 OK 37 67 - 56 - 2.9/1189=4, 2.9/1178=4...(21) HB3 LYS 93 - HD3 LYS 93 OK 32 35 - 91 - 3.4=43, ~3069=13...(56) HB3 LYS 85 - HD3 LYS 93 OK 29 59 - 50 - 2595/1.8=3, 2598/3.0=2...(21) HB3 LYS 93 - HD2 LYS 48 OK 27 39 - 67 - ~3069=5, 1.8/3028=4...(38) HB3 LYS 85 - HD3 LYS 48 OK 23 89 - 26 - 1174/3.0=2, 1185/3.0=1...(6) HB2 LYS 36 - HD3 LYS 48 OK 21 100 - 21 - 1174/3.0=2, 1186/3.0=2...(9) HB3 LYS 85 - HD2 LYS 48 OK 16 66 - 25 - 1174/3.0=2, 1185/3.0=1...(5) HB2 LYS 36 - HD2 LYS 48 OK 16 81 - 20 - 1174/3.0=2, 1186/3.0=2...(7) HB3 ARG 141 - HD3 LYS 48 OK 16 72 - 22 - 4791=2, 1.8/4782=2...(6) HB2 ARG 144 - HD3 LYS 48 OK 16 100 - 16 - 4888/3.0=2, 1174/3.0=2...(4) HB2 ARG 144 - HD2 LYS 48 OK 13 79 - 16 - 4888/3.0=2, 1174/3.0=2, ~4897=1 HB3 ARG 141 - HD2 LYS 48 OK 11 51 - 22 - 4791/1.8=1, 1175/3.0=1...(6) HB2 LYS 36 - HD3 LYS 93 poor 9 73 - 12 - HB3 ARG 141 - HD3 LYS 93 poor 8 46 - 18 - 4791/1.8=2, ~4782=1, ~4773=1 HB3 LEU 126 - HD3 LYS 93 poor 8 42 - 20 - 3080=3, 3069/1.8=2...(9) HB3 LYS 93 - HG13 ILE 136 poor 7 33 - 23 - 1.8/3080=3, ~10339=2...(12) HG LEU 69 - HG13 ILE 136 poor 5 36 - 13 - 2.1/9934=3, ~8473=1, ~8477=1 HB3 LEU 126 - HD3 LYS 48 lone 4 68 - 6 - 3.1/10257=1 HB3 LEU 126 - HD2 LYS 48 lone 3 47 - 6 - HB3 LYS 48 - HG13 ILE 136 lone 2 69 - 3 - HG LEU 69 - HD3 LYS 48 lone 2 62 - 4 - 2.1/9893=1 HG LEU 69 - HD3 LYS 93 lone 2 39 - 5 - 2.1/9934=1 HB2 LYS 48 - HG13 ILE 136 lone 2 63 - 3 - HG LEU 69 - HD2 LYS 48 lone 2 43 - 4 - 2.1/9893=1 HB3 ARG 141 - HG13 ILE 136 lone 1 43 - 3 - HB3 LYS 85 - HG13 ILE 136 lone 1 55 - 2 - HB2 ARG 144 - HD3 LYS 93 lone 1 72 - 2 - HB2 LYS 36 - HG13 ILE 136 lone 1 69 - 2 - HB3 LEU 126 - HG13 ILE 136 lone 1 39 - 2 - HB2 ARG 144 - HG13 ILE 136 lone 1 68 - 1 - Peak 1209 from aliabs.peaks (1.44, 1.67, 28.90 ppm; 2.50 A): 2 out of 20 assignments used, quality = 0.97: * HG2 LYS 48 + HD3 LYS 48 OK 89 100 - 89 - 3.0=60, 1.8/1190=10...(47) HG2 LYS 48 + HD2 LYS 48 OK 72 81 - 89 - 3.0=60, 1179/1.8=10...(49) HG2 LYS 48 - HD3 LYS 93 OK 45 73 - 61 - 1178=10, 1179/1.8=6...(23) HG2 LYS 24 - HD3 LYS 93 OK 40 73 - 56 - 10906/3.0=10, 3083=6...(25) HB3 LYS 114 - HD3 LYS 93 OK 14 49 - 28 - 3756=3, 2.9/3778=2...(9) HG2 LYS 24 - HD3 LYS 48 OK 13 100 - 13 - 1187/3.0=2, 3072=1, 10906/3062=1 HB3 LYS 114 - HD3 LYS 48 OK 13 77 - 17 - 1187/3.0=2, 3.9/1215=1...(5) HG12 ILE 91 - HD3 LYS 93 OK 10 72 - 14 - ~8661=1 HG12 ILE 91 - HD3 LYS 48 lone 10 100 - 10 - 1187/3.0=2 HG2 LYS 24 - HD2 LYS 48 poor 10 80 - 12 - 1187/3.0=2 HG12 ILE 91 - HG13 ILE 136 poor 8 68 - 12 - 10649/2.1=2, 2971/3.7=1 HG12 ILE 91 - HD2 LYS 48 lone 8 79 - 10 - 1187/3.0=2 HB3 LYS 114 - HD2 LYS 48 poor 7 55 - 12 - 1187/3.0=2, 3.9/1204=1, ~3745=1 HB3 LYS 123 - HD3 LYS 48 lone 6 89 - 7 - 1187/3.0=1 HB3 LYS 123 - HG13 ILE 136 lone 5 55 - 10 - ~9687=5, 4.2/7553=1 HB3 LYS 123 - HD2 LYS 48 lone 4 66 - 7 - 1187/3.0=1 HG2 LYS 48 - HG13 ILE 136 lone 4 69 - 6 - 1178=1 HB3 LYS 114 - HG13 ILE 136 lone 3 46 - 6 - HG2 LYS 24 - HG13 ILE 136 lone 2 69 - 3 - HB3 LYS 123 - HD3 LYS 93 lone 1 59 - 2 - Peak 1210 from aliabs.peaks (1.61, 1.67, 28.90 ppm; 2.50 A): 2 out of 44 assignments used, quality = 0.97: * HG3 LYS 48 + HD3 LYS 48 OK 89 100 - 89 - 3.0=60, 1189/1.8=10...(42) HG3 LYS 48 + HD2 LYS 48 OK 72 81 - 89 - 3.0=60, 1190/1.8=10...(44) HG3 LYS 48 - HD3 LYS 93 OK 44 73 - 61 - 1189=10, 1.8/1178=6...(24) HG3 ARG 144 - HD3 LYS 48 OK 20 100 - 20 - 1177/3.0=3, 4912/3.6=2...(4) HG2 ARG 141 - HD3 LYS 48 OK 19 92 - 21 - 4800=2, 1177/3.0=2...(5) HG3 ARG 144 - HD2 LYS 48 OK 16 80 - 21 - 1177/3.0=3, 4912/3.6=2 HD2 LYS 24 - HD3 LYS 93 OK 16 42 - 39 - 10911/1.8=12...(9) HG2 ARG 141 - HD2 LYS 48 OK 14 69 - 20 - 1177/3.0=2, 4800/1.8=2 HG2 ARG 144 - HD3 LYS 48 OK 14 77 - 18 - 4800=2, 1177/3.0=2...(4) HG2 ARG 141 - HD3 LYS 93 OK 11 62 - 17 - 4800/1.8=2, 1.8/3084=1 HB2 LEU 87 - HD3 LYS 48 lone 9 96 - 10 - 1177/3.0=1 HG2 ARG 144 - HD2 LYS 48 poor 9 55 - 17 - 1177/3.0=2, 4800/1.8=2...(4) HB2 LEU 97 - HD3 LYS 48 lone 8 89 - 8 - HB2 LEU 97 - HG13 ILE 136 poor 7 55 - 13 - ~10340=2, ~10467=2, 3201/2.3=1 HB2 LEU 87 - HD2 LYS 48 lone 7 74 - 10 - 1177/3.0=1 HG3 ARG 49 - HD3 LYS 48 lone 7 100 - 7 - 5.0/1215=1 HG LEU 108 - HD3 LYS 48 lone 7 94 - 7 - HG3 ARG 49 - HG13 ILE 136 lone 6 69 - 9 - ~9669=2, ~9669=2 HG LEU 108 - HG13 ILE 136 lone 6 61 - 10 - 3499/2.1=1 HB2 LEU 97 - HD2 LYS 48 lone 6 66 - 9 - HG3 ARG 49 - HD2 LYS 48 lone 6 81 - 7 - 5.0/1204=1 HG LEU 108 - HD2 LYS 48 lone 5 71 - 7 - HD2 LYS 24 - HD3 LYS 48 lone 5 68 - 7 - HG3 LYS 48 - HG13 ILE 136 lone 4 69 - 6 - 1189=1 HB2 LEU 97 - HD3 LYS 93 lone 4 59 - 6 - HB2 LEU 87 - HD3 LYS 93 lone 4 67 - 6 - HD2 LYS 24 - HD2 LYS 48 lone 3 47 - 7 - HB3 LEU 64 - HG13 ILE 136 lone 2 39 - 5 - ~11015=2, ~10624=1 HG LEU 108 - HD3 LYS 93 lone 2 65 - 3 - HG3 ARG 144 - HD3 LYS 93 lone 1 73 - 2 - HG2 ARG 141 - HG13 ILE 136 lone 1 58 - 2 - HG3 ARG 49 - HD3 LYS 93 lone 1 73 - 1 - HG2 ARG 144 - HD3 LYS 93 lone 1 49 - 2 - HB3 LEU 64 - HD3 LYS 48 lone 1 68 - 1 - HB2 LEU 87 - HG13 ILE 136 lone 1 63 - 1 - HD2 LYS 24 - HG13 ILE 136 lone 1 39 - 2 - HB3 LEU 64 - HD3 LYS 93 lone 0 42 - 1 - HG3 ARG 144 - HG13 ILE 136 lone 0 69 - 1 - HB3 LEU 64 - HD2 LYS 48 lone 0 47 - 1 - HG3 LYS 34 - HD3 LYS 48 lone 0 68 - 0 - HG3 LYS 34 - HG13 ILE 136 lone 0 39 - 1 - HG3 LYS 34 - HD3 LYS 93 lone 0 42 - 1 - HG2 ARG 144 - HG13 ILE 136 lone 0 46 - 1 - HG3 LYS 34 - HD2 LYS 48 lone 0 47 - 0 - Peak 1211 from aliabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 48 + HD3 LYS 48 OK 94 94 - 100 HD2 LYS 48 + HD2 LYS 48 OK 81 81 - 100 HD3 LYS 93 + HD3 LYS 93 OK 73 73 - 100 HG13 ILE 136 + HG13 ILE 136 OK 69 69 - 100 Reference assignment not found: HD2 LYS 48 - HD3 LYS 48 Peak 1212 from aliabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 48 + HD3 LYS 48 OK 100 100 - 100 HD2 LYS 48 + HD2 LYS 48 OK 71 71 - 100 HG13 ILE 136 + HG13 ILE 136 OK 63 63 - 100 HD3 LYS 93 + HD3 LYS 93 OK 62 62 - 100 Peak 1213 from aliabs.peaks (2.95, 1.67, 28.90 ppm; 2.50 A): 6 out of 44 assignments used, quality = 1.00: * HE2 LYS 48 + HD3 LYS 48 OK 79 100 - 79 - 3.0=60, 3.6/1190=5...(38) HE3 LYS 48 + HD3 LYS 48 OK 78 99 - 79 - 3.0=60, 3.6/1190=5...(35) HE2 LYS 48 + HD2 LYS 48 OK 64 81 - 79 - 3.0=60, 3.6/1198=5...(38) HE2 LYS 93 + HD3 LYS 93 OK 63 73 - 86 - 3.0=60, 3075/1.8=5...(38) HE3 LYS 48 + HD2 LYS 48 OK 61 78 - 79 - 3.0=60, 3.6/1198=5...(36) HE2 LYS 93 + HD3 LYS 48 OK 46 100 - 46 - 3.0/3084=3, 3.0/3074=3...(15) HE3 LYS 93 - HD3 LYS 93 OK 45 53 - 85 - 3.0=60, 3075/1.8=5...(36) HE2 LYS 48 - HD3 LYS 93 OK 43 73 - 59 - 3096=4, 3075/1.8=4...(23) HE2 LYS 85 - HD3 LYS 93 OK 42 73 - 58 - 3096=4, 3075/1.8=4...(20) HE3 LYS 48 - HD3 LYS 93 OK 39 70 - 55 - 3096=4, 3075/1.8=4...(20) HE3 LYS 93 - HD3 LYS 48 OK 38 81 - 47 - 3.0/3084=3, 3.0/3074=3...(19) HE3 LYS 85 - HD3 LYS 93 OK 36 65 - 56 - 3107=4, 3075/1.8=4...(17) HE2 LYS 93 - HD2 LYS 48 OK 36 80 - 45 - 3.0/3074=3, 1223=2...(14) HE2 LYS 85 - HD3 LYS 48 OK 32 100 - 32 - 1191/3.0=2, 1180/3.0=2...(6) HE3 LYS 85 - HD3 LYS 48 OK 30 94 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 93 - HD2 LYS 48 OK 27 59 - 46 - 3.0/3074=3, 3.0/3084=2...(18) HE2 LYS 85 - HD2 LYS 48 OK 25 80 - 31 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 22 71 - 30 - 1191/3.0=2, 1180/3.0=2...(5) HB2 PHE 106 - HD3 LYS 48 OK 11 100 - 11 - HE2 LYS 93 - HG13 ILE 136 poor 10 69 - 14 - 3.0/3074=1, 3096=1 HB2 PHE 106 - HD2 LYS 48 poor 9 80 - 11 - HE3 LYS 93 - HG13 ILE 136 poor 7 49 - 14 - 3.0/3074=1, 3107=1 HB2 TYR 115 - HD3 LYS 48 lone 5 100 - 5 - HB2 TYR 115 - HD2 LYS 48 lone 4 81 - 5 - HB2 TYR 115 - HG13 ILE 136 lone 4 69 - 5 - ~4728=1, 9366/1.8=1, ~10217=1 HE2 LYS 48 - HG13 ILE 136 lone 3 69 - 5 - HE3 LYS 48 - HG13 ILE 136 lone 3 66 - 5 - HB3 PHE 67 - HG13 ILE 136 lone 3 69 - 4 - ~9665=1 HB2 TYR 115 - HD3 LYS 93 lone 3 73 - 4 - HB2 PHE 106 - HD3 LYS 93 lone 2 73 - 3 - HB3 PHE 67 - HD3 LYS 48 lone 2 100 - 2 - HB3 PHE 67 - HD2 LYS 48 lone 2 80 - 2 - HE2 LYS 85 - HG13 ILE 136 lone 1 69 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 1 73 - 2 - HE3 LYS 85 - HG13 ILE 136 lone 1 61 - 2 - HB2 TYR 119 - HG13 ILE 136 lone 1 39 - 3 - ~9669=1 HB3 ASN 130 - HD3 LYS 93 lone 1 39 - 2 - HB2 PHE 106 - HG13 ILE 136 lone 0 69 - 0 - HB3 ASN 130 - HD3 LYS 48 lone 0 62 - 0 - HB2 TYR 119 - HD3 LYS 93 lone 0 42 - 1 - HB2 TYR 119 - HD3 LYS 48 lone 0 68 - 0 - HB3 ASN 130 - HD2 LYS 48 lone 0 43 - 0 - HB2 TYR 119 - HD2 LYS 48 lone 0 47 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 36 - 0 - Peak 1214 from aliabs.peaks (2.95, 1.67, 28.90 ppm; 2.57 A): 8 out of 44 assignments used, quality = 1.00: * HE3 LYS 48 + HD3 LYS 48 OK 82 100 - 82 - 3.0=65, 3.6/1190=5...(39) HE2 LYS 48 + HD3 LYS 48 OK 82 99 - 83 - 3.0=65, 3.6/1190=5...(46) HE3 LYS 48 + HD2 LYS 48 OK 66 81 - 82 - 3.0=65, 3.6/1198=5...(40) HE2 LYS 48 + HD2 LYS 48 OK 64 78 - 82 - 3.0=65, 3.6/1198=5...(42) HE2 LYS 93 + HD3 LYS 93 OK 63 72 - 88 - 3.0=65, 3075/1.8=6...(44) HE3 LYS 93 + HD3 LYS 93 OK 57 65 - 88 - 3.0=65, 3076/1.8=5...(46) HE2 LYS 93 + HD3 LYS 48 OK 48 100 - 48 - 3.0/3084=3, 3.0/3074=3...(18) HE3 LYS 93 + HD3 LYS 48 OK 47 94 - 50 - 3106=3, 3.0/3084=3...(20) HE2 LYS 85 - HD3 LYS 93 OK 44 73 - 60 - 3075/1.8=4, 3096=4...(22) HE2 LYS 48 - HD3 LYS 93 OK 43 70 - 61 - 3075/1.8=4, 3096=4...(26) HE3 LYS 85 - HD3 LYS 93 OK 43 72 - 60 - 3107=5, 3075/1.8=4...(20) HE3 LYS 48 - HD3 LYS 93 OK 42 73 - 57 - 3107=4, 3075/1.8=4...(22) HE2 LYS 93 - HD2 LYS 48 OK 37 79 - 47 - 3.0/3074=3, 1191/3.0=2...(19) HE3 LYS 93 - HD2 LYS 48 OK 35 71 - 49 - 3.0/3074=3, 3107=3...(21) HE2 LYS 85 - HD3 LYS 48 OK 34 100 - 34 - 1191/3.0=2, 1180/3.0=2...(6) HE3 LYS 85 - HD3 LYS 48 OK 34 100 - 34 - 3106=2, 1191/3.0=2...(6) HE2 LYS 85 - HD2 LYS 48 OK 26 80 - 33 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 26 79 - 33 - 3107=2, 1191/3.0=2...(5) HB2 PHE 106 - HD3 LYS 48 OK 11 98 - 12 - HE2 LYS 93 - HG13 ILE 136 OK 10 68 - 15 - 3.0/3074=1, ~4631=1...(4) HE3 LYS 93 - HG13 ILE 136 poor 9 61 - 15 - 3.0/3074=1, 3107=1...(4) HB2 PHE 106 - HD2 LYS 48 poor 9 76 - 12 - HB2 TYR 115 - HD3 LYS 48 lone 5 99 - 5 - HB2 TYR 115 - HD2 LYS 48 lone 4 78 - 5 - HB2 TYR 115 - HG13 ILE 136 lone 4 66 - 5 - ~4728=2, 9366/1.8=1, ~10217=1 HE3 LYS 48 - HG13 ILE 136 lone 4 69 - 5 - HE2 LYS 48 - HG13 ILE 136 lone 3 66 - 5 - HB2 TYR 115 - HD3 LYS 93 lone 3 70 - 4 - HB3 PHE 67 - HG13 ILE 136 lone 3 65 - 4 - ~9665=1 HB2 PHE 106 - HD3 LYS 93 lone 2 69 - 4 - HB3 PHE 67 - HD3 LYS 48 lone 2 98 - 2 - HB3 PHE 67 - HD2 LYS 48 lone 2 76 - 2 - HB2 TYR 119 - HG13 ILE 136 lone 2 53 - 3 - ~9669=1 HE2 LYS 85 - HG13 ILE 136 lone 1 69 - 2 - HE3 LYS 85 - HG13 ILE 136 lone 1 68 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 1 69 - 2 - HB3 ASN 130 - HD3 LYS 93 lone 1 53 - 2 - HB3 ASN 130 - HD3 LYS 48 lone 1 81 - 1 - HB2 TYR 119 - HD3 LYS 93 lone 0 56 - 1 - HB2 PHE 106 - HG13 ILE 136 lone 0 65 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 59 - 1 - HB2 TYR 119 - HD3 LYS 48 lone 0 85 - 0 - HB2 TYR 119 - HD2 LYS 48 lone 0 62 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 49 - 0 - Peak 1217 from aliabs.peaks (3.96, 2.95, 41.80 ppm; 4.08 A): 4 out of 30 assignments used, quality = 1.00: * HA LYS 48 + HE2 LYS 48 OK 91 100 - 91 - 6.0=31, 1141/3.6=23...(54) HA LYS 48 + HE3 LYS 48 OK 86 96 - 90 - 6.0=31, 1141/3.6=23...(52) HA LYS 48 + HE2 LYS 93 OK 62 100 - 63 - 1143/3.0=7, 1144/3.0=7...(41) HA LYS 48 + HE2 LYS 85 OK 47 99 - 48 - 1145=4, 3.8/1180=4...(25) HA LYS 48 - HE3 LYS 85 OK 38 81 - 48 - 1145=4, 1145/1.8=4...(27) HA PHE 106 - HE2 LYS 48 OK 36 89 - 40 - 3421=6, 3421/1.8=5...(15) HA3 GLY 94 - HE2 LYS 93 OK 34 96 - 35 - 9054/5.1=9, ~10107=5...(9) HA PHE 106 - HE3 LYS 48 OK 32 81 - 40 - 3421=6, 3421/1.8=5...(15) HB3 SER 103 - HE2 LYS 48 OK 31 100 - 31 - 10146=6, 10146/1.8=5...(11) HB3 SER 103 - HE3 LYS 48 OK 29 95 - 31 - 10146=6, 10146/1.8=5...(10) HA PHE 106 - HE2 LYS 85 OK 20 87 - 23 - 3421=3, 3421/1.8=2...(12) HB3 SER 103 - HE2 LYS 93 OK 17 100 - 17 - 10146=3, 1.8/10148=3...(6) HA3 GLY 94 - HE2 LYS 48 OK 16 96 - 16 - 1173/3.6=2, 1184/3.6=2...(8) HA PHE 106 - HE3 LYS 85 OK 15 66 - 22 - 3421=3, 3421/1.8=3...(12) HA3 GLY 94 - HE3 LYS 48 OK 14 90 - 16 - 1173/3.6=2, 1184/3.6=2...(8) HA PHE 106 - HE2 LYS 93 OK 13 88 - 14 - 3421=2, 3.0/7239=2...(5) HA3 GLY 143 - HE2 LYS 48 OK 10 100 - 10 - 1184/3.6=3, 1173/3.6=2...(4) HA ALA 60 - HE2 LYS 85 poor 10 95 - 10 - 1643/3.5=2, ~2619=2...(5) HA3 GLY 143 - HE3 LYS 48 poor 10 95 - 10 - 1184/3.6=3, 1173/3.6=2...(4) HA ALA 60 - HE2 LYS 48 lone 9 96 - 9 - 1184/3.6=2, 1173/3.6=2 HB3 SER 103 - HE2 LYS 85 lone 9 99 - 9 - 10146=2, 1.8/10148=1 HA ALA 60 - HE3 LYS 48 lone 8 90 - 9 - 1184/3.6=2, 1173/3.6=2 HA ALA 60 - HE3 LYS 85 lone 8 74 - 10 - 1643/3.5=2, ~2619=2...(5) HB3 SER 103 - HE3 LYS 85 lone 7 80 - 8 - 10146=2, 10146/1.8=1 HA3 GLY 94 - HE2 LYS 85 lone 5 95 - 6 - ~7102=1, 9054/3091=1 HA3 GLY 94 - HE3 LYS 85 lone 4 74 - 5 - ~7102=1 HA ALA 60 - HE2 LYS 93 lone 2 96 - 2 - HA3 GLY 143 - HE2 LYS 93 lone 2 100 - 2 - HA3 GLY 143 - HE2 LYS 85 lone 1 99 - 1 - HA3 GLY 143 - HE3 LYS 85 lone 1 80 - 1 - Peak 1218 from aliabs.peaks (1.87, 2.95, 41.80 ppm; 3.10 A): 13 out of 45 assignments used, quality = 1.00: HB3 LYS 85 + HE2 LYS 85 OK 88 99 - 89 - 4.8=26, 1.8/2650=7...(70) * HB2 LYS 48 + HE2 LYS 48 OK 85 100 - 85 - 4.9=26, 1153/3.6=7...(75) HB3 LYS 48 + HE2 LYS 48 OK 82 96 - 85 - 4.9=26, 1174/3.6=6...(74) HB2 LYS 48 + HE3 LYS 48 OK 82 96 - 85 - 4.9=26, 1153/3.6=7...(75) HB3 LYS 48 + HE3 LYS 48 OK 76 90 - 85 - 4.9=26, 1174/3.6=6...(74) HB3 LYS 85 + HE3 LYS 85 OK 70 79 - 89 - 4.8=26, 2600/2.9=7...(70) HB2 LYS 48 + HE2 LYS 93 OK 66 100 - 66 - 2.9/1191=4, 2.9/1180=4...(56) HB3 LYS 48 + HE2 LYS 93 OK 62 96 - 64 - 2.9/1191=4, 2.9/1180=4...(53) HB3 LYS 85 + HE2 LYS 93 OK 60 99 - 60 - 1.8/2650=4, 3.0/2652=4...(44) HB2 LYS 48 + HE2 LYS 85 OK 52 99 - 52 - 2607/3.5=3, 2618/3.5=3...(29) HB3 LYS 85 + HE2 LYS 48 OK 51 100 - 51 - 1.8/2650=4, 3.0/2652=3...(32) HB3 LYS 48 + HE2 LYS 85 OK 49 95 - 52 - 2.9/1180=3, 2.9/1191=3...(35) HB3 LYS 85 + HE3 LYS 48 OK 46 94 - 48 - 1.8/2650=3, 3.0/2652=3...(32) HB2 LYS 48 - HE3 LYS 85 OK 42 81 - 52 - 2607/3.5=3, 2618/3.5=3...(35) HB3 LYS 48 - HE3 LYS 85 OK 38 74 - 51 - 2.9/1191=3, 2.9/1180=3...(38) HB3 LYS 76 - HE2 LYS 85 OK 34 83 - 40 - 2607/3.5=4, 2618/3.5=4...(15) HB3 LYS 76 - HE3 LYS 85 OK 25 62 - 40 - 2607/3.5=4, 2618/3.5=4...(17) HB3 LEU 126 - HE2 LYS 85 OK 21 90 - 23 - 2607/3.5=2, 2618/3.5=2...(6) HB3 LYS 76 - HE2 LYS 93 OK 18 85 - 22 - 2268/3.8=2, 2595/3.0=1...(7) HB2 LYS 36 - HE2 LYS 48 OK 17 96 - 18 - 1174/3.6=3, 1185/3.6=3 HB3 LEU 126 - HE3 LYS 85 OK 16 69 - 23 - 2607/3.5=2, 2618/3.5=2...(5) HB2 LYS 36 - HE3 LYS 48 OK 15 90 - 17 - 1174/3.6=3, 1185/3.6=3 HB3 LEU 126 - HE2 LYS 93 OK 15 91 - 16 - 3080/3.0=3, 3069/3.0=2...(7) HB2 ARG 144 - HE2 LYS 48 OK 13 100 - 13 - 4888/3.6=3, 1174/3.6=2 HB3 GLU 28 - HE2 LYS 93 OK 13 81 - 16 - ~8049=5, 3.0/8049=2...(5) HB2 ARG 144 - HE3 LYS 48 OK 12 94 - 13 - 4888/3.6=3, 1174/3.6=2 HB2 LYS 36 - HE2 LYS 85 OK 11 95 - 12 - HB3 LYS 76 - HE2 LYS 48 OK 10 85 - 12 - HB2 LYS 36 - HE2 LYS 93 lone 9 96 - 10 - HB3 LYS 76 - HE3 LYS 48 poor 9 78 - 11 - HB2 LYS 36 - HE3 LYS 85 poor 8 74 - 11 - HB3 GLU 28 - HE2 LYS 85 lone 8 80 - 10 - 3.0/8049=1, 3.0/8050=1, ~8050=1 HB2 ARG 144 - HE2 LYS 85 lone 7 99 - 7 - HB3 LEU 126 - HE2 LYS 48 lone 7 92 - 7 - HB3 GLU 28 - HE2 LYS 48 lone 6 81 - 7 - 3.0/8049=2, ~8049=1 HB3 LEU 126 - HE3 LYS 48 lone 6 84 - 7 - HB3 GLU 28 - HE3 LYS 85 lone 6 59 - 10 - 3.0/8049=1 HB3 GLU 28 - HE3 LYS 48 lone 5 74 - 7 - 3.0/8049=2, ~8049=1 HB2 ARG 144 - HE3 LYS 85 lone 5 79 - 7 - HG LEU 69 - HE2 LYS 85 lone 5 87 - 5 - HG LEU 69 - HE2 LYS 93 lone 4 88 - 4 - HG LEU 69 - HE3 LYS 85 lone 3 66 - 5 - HG LEU 69 - HE2 LYS 48 lone 3 89 - 4 - HG LEU 69 - HE3 LYS 48 lone 3 81 - 3 - HB2 ARG 144 - HE2 LYS 93 lone 2 99 - 2 - Peak 1219 from aliabs.peaks (1.87, 2.95, 41.80 ppm; 3.10 A): 12 out of 45 assignments used, quality = 1.00: * HB3 LYS 48 + HE2 LYS 48 OK 85 100 - 85 - 4.9=26, 1165/3.6=7...(74) HB2 LYS 48 + HE2 LYS 48 OK 82 96 - 85 - 4.9=26, 1174/3.6=6...(75) HB3 LYS 48 + HE3 LYS 48 OK 81 96 - 85 - 4.9=26, 1165/3.6=7...(74) HB3 LYS 85 + HE2 LYS 85 OK 77 87 - 89 - 4.8=26, 1.8/2650=7...(70) HB2 LYS 48 + HE3 LYS 48 OK 76 90 - 85 - 4.9=26, 1174/3.6=6...(75) HB3 LYS 48 + HE2 LYS 93 OK 65 100 - 65 - 2.9/1191=4, 2.9/1180=4...(53) HB2 LYS 48 + HE2 LYS 93 OK 63 96 - 66 - 2.9/1191=4, 2.9/1180=4...(55) HB3 LYS 85 + HE3 LYS 85 OK 58 66 - 89 - 4.8=26, 1.8/2650=7...(70) HB3 LYS 85 + HE2 LYS 93 OK 52 88 - 59 - 1.8/2650=4, 3.0/2652=4...(44) HB3 LYS 93 + HE2 LYS 93 OK 51 57 - 90 - 5.1=22, ~3069=11...(74) HB3 LYS 48 + HE2 LYS 85 OK 51 99 - 51 - 2.9/1180=3, 2.9/1191=3...(35) HB2 LYS 48 + HE2 LYS 85 OK 48 95 - 51 - 2.9/1180=3, 2.9/1191=3...(28) HB3 LYS 85 - HE2 LYS 48 OK 45 89 - 50 - 1.8/2650=4, 3.0/2652=3...(32) HB3 LYS 93 - HE2 LYS 48 OK 44 57 - 76 - ~3069=4, 2.9/3064=4...(59) HB3 LYS 93 - HE2 LYS 85 OK 41 56 - 73 - 2.9/3064=3, 3.4/3075=3...(55) HB3 LYS 48 - HE3 LYS 85 OK 41 81 - 51 - 2.9/1191=3, 2.9/1180=3...(38) HB3 LYS 85 - HE3 LYS 48 OK 39 81 - 48 - 1.8/2650=3, 3.0/2652=3...(32) HB2 LYS 48 - HE3 LYS 85 OK 37 74 - 50 - 2.9/1191=3, 2.9/1180=3...(34) HB3 LYS 93 - HE3 LYS 48 OK 37 51 - 73 - ~3069=4, ~3080=4...(56) HB3 LYS 93 - HE3 LYS 85 OK 29 39 - 72 - 2.9/3064=3, 1.8/3030=3...(52) HB2 LYS 36 - HE2 LYS 48 OK 18 100 - 18 - 1174/3.6=3, 1186/3.6=3 HB2 LYS 36 - HE3 LYS 48 OK 16 96 - 17 - 1174/3.6=3, 1186/3.6=3 HB3 LEU 126 - HE2 LYS 85 OK 14 66 - 21 - 2607/3.5=1, 2618/3.5=1...(5) HB3 ARG 141 - HE2 LYS 48 OK 13 72 - 18 - 1175/3.6=1, 1186/3.6=1 HB2 ARG 144 - HE2 LYS 48 OK 13 100 - 13 - 4888/3.6=3, 1174/3.6=2 HB2 ARG 144 - HE3 LYS 48 OK 12 94 - 13 - 4888/3.6=3, 1174/3.6=2 HB3 ARG 141 - HE3 LYS 48 OK 11 65 - 17 - 1175/3.6=1, 1186/3.6=1 HB2 LYS 36 - HE2 LYS 85 OK 11 99 - 11 - HB3 ARG 141 - HE2 LYS 93 OK 10 72 - 14 - 4791/3.0=2, ~4782=1 HB2 LYS 36 - HE2 LYS 93 lone 10 100 - 10 - HB3 LEU 126 - HE3 LYS 85 poor 10 47 - 21 - 2607/3.5=1, 2618/3.5=1...(4) HB3 LEU 126 - HE2 LYS 93 poor 9 67 - 14 - 3080/3.0=2, 3069/3.0=2...(6) HB2 LYS 36 - HE3 LYS 85 poor 8 81 - 10 - HB2 ARG 144 - HE2 LYS 85 lone 6 99 - 6 - HB2 ARG 144 - HE3 LYS 85 lone 5 79 - 6 - HB3 LEU 126 - HE2 LYS 48 lone 4 68 - 6 - HB3 LEU 126 - HE3 LYS 48 lone 4 60 - 6 - HG LEU 69 - HE2 LYS 85 lone 2 61 - 4 - HB3 ARG 141 - HE2 LYS 85 lone 2 71 - 3 - HG LEU 69 - HE2 LYS 93 lone 2 62 - 4 - HB2 ARG 144 - HE2 LYS 93 lone 2 99 - 2 - HG LEU 69 - HE2 LYS 48 lone 2 62 - 3 - HG LEU 69 - HE3 LYS 48 lone 2 56 - 3 - HG LEU 69 - HE3 LYS 85 lone 2 43 - 4 - HB3 ARG 141 - HE3 LYS 85 lone 2 51 - 3 - Peak 1220 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 2.99 A): 5 out of 25 assignments used, quality = 1.00: * HG2 LYS 48 + HE2 LYS 48 OK 92 100 - 92 - 3.6=58, 1198/3.0=11...(43) HG2 LYS 48 + HE3 LYS 48 OK 87 96 - 91 - 3.6=58, 1198/3.0=11...(42) HG2 LYS 48 + HE2 LYS 93 OK 67 100 - 67 - 1180=6, 1178/3.0=6...(32) HG2 LYS 24 + HE2 LYS 93 OK 55 100 - 56 - 10906/3.8=11, ~10909=9...(19) HG2 LYS 48 + HE2 LYS 85 OK 50 99 - 50 - 1180=5, 1.8/1191=4...(17) HG2 LYS 48 - HE3 LYS 85 OK 39 81 - 49 - 1180=4, 1180/1.8=4...(17) HG2 LYS 24 - HE2 LYS 48 OK 14 100 - 14 - 1187/3.6=2, 3094=1 HB3 LYS 114 - HE2 LYS 93 OK 13 77 - 17 - 3756/3.0=3, 3760/3.8=2...(4) HG2 LYS 24 - HE3 LYS 48 OK 12 95 - 12 - 1187/3.6=2 HG2 LYS 24 - HE2 LYS 85 OK 10 99 - 10 - ~10909=1 HB3 LYS 114 - HE2 LYS 48 poor 10 77 - 13 - 1187/3.6=2, 3756/3.0=1 HG12 ILE 91 - HE2 LYS 93 lone 9 99 - 10 - 3.2/10640=2, ~10640=1 HB3 LYS 114 - HE3 LYS 48 poor 9 70 - 12 - 1187/3.6=2, 3756/3.0=1 HG12 ILE 91 - HE2 LYS 48 lone 8 100 - 8 - 1187/3.6=2 HG12 ILE 91 - HE3 LYS 48 lone 8 94 - 8 - 1187/3.6=2 HG2 LYS 24 - HE3 LYS 85 lone 6 80 - 8 - HB3 LYS 123 - HE2 LYS 85 lone 5 87 - 6 - HB3 LYS 123 - HE2 LYS 48 lone 5 89 - 6 - 1187/3.6=1 HB3 LYS 123 - HE3 LYS 48 lone 5 81 - 5 - 1187/3.6=1 HB3 LYS 123 - HE3 LYS 85 lone 4 66 - 6 - HG12 ILE 91 - HE2 LYS 85 lone 3 99 - 3 - HG12 ILE 91 - HE3 LYS 85 lone 3 79 - 3 - HB3 LYS 123 - HE2 LYS 93 lone 2 88 - 2 - HB3 LYS 114 - HE2 LYS 85 lone 2 75 - 3 - HB3 LYS 114 - HE3 LYS 85 lone 1 55 - 2 - Peak 1221 from aliabs.peaks (1.61, 2.95, 41.80 ppm; 2.50 A): 3 out of 55 assignments used, quality = 0.96: * HG3 LYS 48 + HE2 LYS 48 OK 75 100 - 75 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE3 LYS 48 OK 71 96 - 74 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE2 LYS 93 OK 48 100 - 48 - 1189/3.0=4, 1191=4...(22) HG3 LYS 48 - HE2 LYS 85 OK 34 99 - 34 - 1191=3, 1.8/1180=2...(8) HG3 LYS 48 - HE3 LYS 85 OK 28 81 - 35 - 1191=3, 1191/1.8=3...(10) HD2 LYS 24 - HE2 LYS 93 OK 21 67 - 31 - 10909/1.8=11...(7) HB2 LEU 87 - HE2 LYS 85 OK 19 95 - 20 - 8886/1.8=3, 3.2/8895=2...(10) HB2 LEU 87 - HE3 LYS 85 OK 16 74 - 22 - 8886=3, 8886/1.8=3...(12) HG3 ARG 144 - HE2 LYS 48 OK 10 100 - 10 - 1177/3.6=2, 4912/4.9=1 HG3 ARG 144 - HE3 LYS 48 poor 10 95 - 10 - 1177/3.6=2, 4912/4.9=1 HG2 ARG 141 - HE2 LYS 48 poor 10 92 - 11 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 141 - HE3 LYS 48 poor 8 84 - 10 - 1177/3.6=1, 4800/3.0=1 HB2 LEU 87 - HE3 LYS 48 lone 8 90 - 9 - 8886=1, 1177/3.6=1 HB2 LEU 87 - HE2 LYS 48 lone 7 96 - 7 - 8886/1.8=1, 3.2/8895=1 HG2 ARG 141 - HE2 LYS 93 lone 7 91 - 8 - 4800/3.0=1 HG2 ARG 144 - HE2 LYS 48 lone 6 77 - 8 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 144 - HE3 LYS 48 lone 5 70 - 8 - 1177/3.6=1, 4800/3.0=1 HB2 LEU 87 - HE2 LYS 93 lone 5 96 - 5 - HB2 LEU 97 - HE2 LYS 48 lone 4 89 - 4 - HD2 LYS 24 - HE2 LYS 48 lone 4 68 - 6 - 10909/1.8=1 HB2 LEU 97 - HE3 LYS 48 lone 4 81 - 4 - HB2 LEU 97 - HE2 LYS 93 lone 3 88 - 3 - HD2 LYS 24 - HE2 LYS 85 lone 3 66 - 4 - 10909/1.8=1 HG3 ARG 49 - HE2 LYS 48 lone 3 100 - 3 - HG3 ARG 144 - HE2 LYS 85 lone 3 99 - 3 - HG3 ARG 49 - HE3 LYS 48 lone 3 96 - 3 - HD2 LYS 24 - HE3 LYS 48 lone 3 60 - 4 - HG LEU 108 - HE2 LYS 48 lone 2 94 - 3 - HG3 ARG 144 - HE3 LYS 85 lone 2 80 - 3 - HG LEU 108 - HE3 LYS 48 lone 2 87 - 3 - HG2 ARG 144 - HE2 LYS 85 lone 2 75 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 1 55 - 2 - HG3 ARG 144 - HE2 LYS 93 lone 1 100 - 1 - HD2 LYS 24 - HE3 LYS 85 lone 1 47 - 3 - HG LEU 108 - HE2 LYS 85 lone 1 93 - 1 - HG2 ARG 141 - HE2 LYS 85 lone 1 90 - 1 - HG LEU 108 - HE2 LYS 93 lone 1 94 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 1 69 - 1 - HG LEU 108 - HE3 LYS 85 lone 1 71 - 1 - HG2 ARG 144 - HE2 LYS 93 lone 1 77 - 1 - HG3 ARG 49 - HE2 LYS 93 lone 1 100 - 1 - HG3 LYS 34 - HE2 LYS 93 lone 1 67 - 1 - HB3 LEU 64 - HE2 LYS 85 lone 1 66 - 1 - HG3 ARG 49 - HE2 LYS 85 lone 1 99 - 1 - HB2 LEU 97 - HE2 LYS 85 lone 1 87 - 1 - HB3 LEU 64 - HE2 LYS 48 lone 0 68 - 1 - HG3 ARG 49 - HE3 LYS 85 lone 0 81 - 1 - HB3 LEU 64 - HE3 LYS 48 lone 0 60 - 1 - HB3 LEU 64 - HE3 LYS 85 lone 0 47 - 1 - HG3 LYS 34 - HE2 LYS 48 lone 0 68 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 0 66 - 1 - HB3 LEU 64 - HE2 LYS 93 lone 0 67 - 1 - HG3 LYS 34 - HE2 LYS 85 lone 0 66 - 1 - HG3 LYS 34 - HE3 LYS 48 lone 0 60 - 1 - HG3 LYS 34 - HE3 LYS 85 lone 0 47 - 0 - Peak 1222 from aliabs.peaks (1.67, 2.95, 41.80 ppm; 2.50 A): 10 out of 65 assignments used, quality = 1.00: HD3 LYS 93 + HE2 LYS 93 OK 86 100 - 86 - 3.0=60, 3087/1.8=6...(40) * HD2 LYS 48 + HE2 LYS 48 OK 80 100 - 80 - 3.0=60, 1198/3.6=6...(37) HD2 LYS 48 + HE3 LYS 48 OK 77 96 - 80 - 3.0=60, 1198/3.6=6...(37) HD3 LYS 48 + HE2 LYS 48 OK 75 94 - 79 - 3.0=60, 1198/3.6=5...(36) HD3 LYS 48 + HE3 LYS 48 OK 69 87 - 79 - 3.0=60, 1198/3.6=5...(36) HD3 LYS 93 + HE2 LYS 48 OK 60 100 - 60 - 3086=7, 1.8/3075=4...(22) HD3 LYS 93 + HE2 LYS 85 OK 57 99 - 58 - 3086=7, 3087/1.8=4...(19) HD3 LYS 93 + HE3 LYS 48 OK 54 95 - 57 - 3086=6, 3086/1.8=4...(21) HD2 LYS 48 + HE2 LYS 93 OK 47 100 - 48 - 1202=4, 3074/3.0=4...(15) HD3 LYS 93 + HE3 LYS 85 OK 45 80 - 57 - 3086=6, 3086/1.8=4...(17) HD3 LYS 48 - HE2 LYS 93 OK 43 94 - 46 - 1202=3, 3074/3.0=3...(14) HD2 LYS 48 - HE2 LYS 85 OK 33 99 - 34 - 1202=3, 3.0/1191=2...(5) HD3 LYS 48 - HE2 LYS 85 OK 30 93 - 32 - 1202=2, 3.0/1191=2...(5) HD2 LYS 48 - HE3 LYS 85 OK 27 81 - 33 - 1203=3, 1202/1.8=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 22 71 - 31 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 16 100 - 16 - 3130/3.0=3, ~3137=1, 3063/3.8=1 HG13 ILE 136 - HE2 LYS 93 OK 15 100 - 16 - 3074/3.0=1, 3086=1...(4) HG2 ARG 89 - HE2 LYS 93 lone 9 100 - 9 - 3074/3.0=1 HB2 PRO 57 - HE2 LYS 93 lone 9 91 - 10 - HB2 LYS 114 - HE2 LYS 93 poor 8 62 - 12 - ~3756=1, 3748/3.8=1 HG13 ILE 136 - HE2 LYS 48 lone 5 100 - 5 - HG13 ILE 136 - HE3 LYS 48 lone 5 95 - 5 - HB2 ARG 145 - HE2 LYS 85 lone 5 99 - 5 - HG2 ARG 140 - HE2 LYS 93 lone 5 81 - 6 - HB2 LYS 114 - HE2 LYS 48 lone 5 62 - 7 - HB2 LYS 114 - HE3 LYS 48 lone 4 56 - 7 - HB2 ARG 145 - HE3 LYS 85 lone 4 79 - 5 - HB2 LEU 95 - HE2 LYS 48 lone 4 100 - 4 - HB2 PRO 57 - HE2 LYS 85 lone 4 90 - 4 - HB2 LEU 95 - HE2 LYS 85 lone 4 99 - 4 - HB2 MET 68 - HE2 LYS 48 lone 4 96 - 4 - HB2 LEU 95 - HE3 LYS 48 lone 3 96 - 4 - HB2 MET 68 - HE3 LYS 48 lone 3 90 - 4 - HG2 ARG 89 - HE2 LYS 48 lone 3 100 - 3 - HB2 LEU 95 - HE3 LYS 85 lone 3 81 - 4 - HB2 PRO 57 - HE3 LYS 85 lone 3 69 - 4 - HG2 ARG 89 - HE3 LYS 48 lone 3 96 - 3 - HG13 ILE 136 - HE2 LYS 85 lone 2 99 - 2 - HB2 MET 68 - HE2 LYS 93 lone 2 96 - 2 - HB VAL 71 - HE2 LYS 93 lone 2 100 - 2 - HG13 ILE 136 - HE3 LYS 85 lone 2 80 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 100 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 80 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 1 94 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 1 81 - 2 - HB2 PRO 57 - HE2 LYS 48 lone 1 92 - 2 - HB VAL 71 - HE2 LYS 48 lone 1 100 - 1 - HG2 ARG 124 - HE2 LYS 48 lone 1 81 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 99 - 1 - HG2 ARG 140 - HE2 LYS 48 lone 1 81 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 96 - 1 - HB2 PRO 57 - HE3 LYS 48 lone 1 84 - 1 - HG2 ARG 124 - HE3 LYS 48 lone 1 74 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 1 59 - 2 - HG2 ARG 140 - HE3 LYS 48 lone 1 74 - 2 - HG2 ARG 89 - HE2 LYS 85 lone 1 99 - 1 - HB2 LYS 114 - HE2 LYS 85 lone 1 61 - 2 - HB2 MET 68 - HE2 LYS 85 lone 1 95 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 81 - 1 - HB VAL 71 - HE2 LYS 85 lone 1 99 - 1 - HB2 LYS 114 - HE3 LYS 85 lone 1 43 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 74 - 1 - HB VAL 71 - HE3 LYS 85 lone 0 81 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 0 80 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 0 59 - 1 - Peak 1223 from aliabs.peaks (1.67, 2.95, 41.80 ppm; 2.50 A): 9 out of 60 assignments used, quality = 1.00: * HD3 LYS 48 + HE2 LYS 48 OK 79 100 - 79 - 3.0=60, 1190/3.6=5...(36) HD3 LYS 93 + HE2 LYS 93 OK 78 91 - 86 - 3.0=60, 1.8/3075=5...(40) HD3 LYS 48 + HE3 LYS 48 OK 76 96 - 79 - 3.0=60, 1190/3.6=5...(36) HD2 LYS 48 + HE2 LYS 48 OK 75 94 - 80 - 3.0=60, 1198/3.6=5...(37) HD2 LYS 48 + HE3 LYS 48 OK 70 87 - 80 - 3.0=60, 1198/3.6=5...(37) HD3 LYS 93 + HE2 LYS 48 OK 54 92 - 58 - 3086=6, 1.8/3075=4...(22) HD3 LYS 93 + HE2 LYS 85 OK 51 90 - 57 - 3086=6, 1.8/3075=4...(19) HD3 LYS 48 + HE2 LYS 93 OK 47 100 - 47 - 3084/3.0=3, 1202=3...(15) HD3 LYS 93 + HE3 LYS 48 OK 47 84 - 55 - 3086=5, 1.8/3075=4...(21) HD2 LYS 48 - HE2 LYS 93 OK 44 94 - 47 - 1202=4, 3074/3.0=3...(14) HD3 LYS 93 - HE3 LYS 85 OK 38 69 - 56 - 3086=5, 1.8/3075=4...(17) HD3 LYS 48 - HE2 LYS 85 OK 32 99 - 32 - 1202=2, 3.0/1191=2...(6) HD2 LYS 48 - HE2 LYS 85 OK 31 93 - 33 - 1202=3, 3.0/1191=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 26 81 - 32 - 1203=2, 3.0/1191=2...(6) HD2 LYS 48 - HE3 LYS 85 OK 23 71 - 33 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 14 94 - 15 - 3130/3.0=3, ~3137=1, 3084/3.0=1 HG13 ILE 136 - HE2 LYS 93 OK 14 96 - 14 - 3074/3.0=1, 3086=1 HG3 ARG 141 - HE2 LYS 48 OK 11 85 - 12 - 1190/3.6=1, 1179/3.6=1 HG3 ARG 141 - HE3 LYS 48 poor 9 78 - 12 - 1190/3.6=1, 1179/3.6=1 HG3 ARG 141 - HE2 LYS 93 poor 9 85 - 10 - HG2 ARG 89 - HE2 LYS 93 lone 9 94 - 9 - HB2 PRO 57 - HE2 LYS 93 lone 5 62 - 9 - HB2 ARG 145 - HE2 LYS 85 lone 5 98 - 5 - HG13 ILE 136 - HE2 LYS 48 lone 5 96 - 5 - HG13 ILE 136 - HE3 LYS 48 lone 4 90 - 5 - HG LEU 97 - HE2 LYS 48 lone 4 81 - 5 - HB2 ARG 145 - HE3 LYS 85 lone 4 78 - 5 - HB2 MET 68 - HE2 LYS 48 lone 4 100 - 4 - HG LEU 97 - HE2 LYS 93 lone 4 81 - 5 - HG LEU 97 - HE3 LYS 48 lone 4 74 - 5 - HB2 MET 68 - HE3 LYS 48 lone 3 95 - 3 - HB2 LEU 95 - HE2 LYS 48 lone 3 94 - 3 - HB2 LEU 95 - HE2 LYS 85 lone 3 93 - 3 - HB2 LEU 95 - HE3 LYS 48 lone 3 87 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 3 94 - 3 - HB2 LEU 95 - HE3 LYS 85 lone 2 71 - 3 - HB2 MET 68 - HE2 LYS 93 lone 2 100 - 2 - HG2 ARG 89 - HE3 LYS 48 lone 2 87 - 3 - HB2 PRO 57 - HE2 LYS 85 lone 2 61 - 4 - HG13 ILE 136 - HE2 LYS 85 lone 2 95 - 2 - HB VAL 71 - HE2 LYS 93 lone 2 94 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HB2 PRO 57 - HE3 LYS 85 lone 2 43 - 4 - HG13 ILE 136 - HE3 LYS 85 lone 2 74 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 1 93 - 2 - HG3 ARG 141 - HE2 LYS 85 lone 1 83 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 99 - 1 - HB VAL 71 - HE2 LYS 48 lone 1 94 - 1 - HB VAL 71 - HE3 LYS 48 lone 1 87 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 93 - 1 - HG3 ARG 141 - HE3 LYS 85 lone 1 62 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 99 - 1 - HB2 PRO 57 - HE2 LYS 48 lone 1 62 - 1 - HG LEU 97 - HE2 LYS 85 lone 1 80 - 1 - HB2 PRO 57 - HE3 LYS 48 lone 1 56 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 71 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 80 - 1 - HG LEU 97 - HE3 LYS 85 lone 1 59 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 93 - 0 - HB VAL 71 - HE3 LYS 85 lone 0 71 - 0 - Peak 1224 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 48 + HE2 LYS 48 OK 100 100 - 100 HE2 LYS 93 + HE2 LYS 93 OK 100 100 - 100 HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 93 93 - 100 HE3 LYS 85 + HE3 LYS 85 OK 71 71 - 100 Peak 1225 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 93 + HE2 LYS 93 OK 99 99 - 100 HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE2 LYS 48 + HE2 LYS 48 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 96 96 - 100 HE3 LYS 85 + HE3 LYS 85 OK 79 79 - 100 Reference assignment not found: HE3 LYS 48 - HE2 LYS 48 Peak 1228 from aliabs.peaks (3.96, 2.95, 41.80 ppm; 4.76 A): 6 out of 36 assignments used, quality = 1.00: * HA LYS 48 + HE3 LYS 48 OK 96 100 - 97 - 6.0=50, 1141/3.6=29...(52) HA LYS 48 + HE2 LYS 48 OK 92 96 - 97 - 6.0=50, 1141/3.6=29...(54) HA LYS 48 + HE2 LYS 93 OK 72 98 - 74 - 1143/3.0=9, 1144/3.0=9...(48) HA LYS 48 + HE3 LYS 93 OK 61 81 - 75 - 1143/3.0=9, 1144/3.0=9...(54) HA LYS 48 + HE2 LYS 85 OK 58 99 - 58 - 1145=6, 1145/1.8=5...(40) HA LYS 48 + HE3 LYS 85 OK 57 98 - 59 - 1145=5, 1145/1.8=5...(40) HA3 GLY 94 - HE2 LYS 93 OK 43 93 - 46 - 9054/5.1=13, ~10107=7...(9) HA PHE 106 - HE3 LYS 48 OK 41 89 - 47 - 3421/1.8=6, 3421=5...(16) HA PHE 106 - HE2 LYS 48 OK 38 81 - 47 - 3421=6, 3421/1.8=5...(16) HB3 SER 103 - HE3 LYS 48 OK 37 100 - 37 - 10146=7, 10146/1.8=6...(14) HB3 SER 103 - HE2 LYS 48 OK 36 95 - 37 - 10146=7, 10146/1.8=6...(14) HA3 GLY 94 - HE3 LYS 93 OK 34 74 - 46 - 9054/5.1=13, ~10107=7...(9) HA PHE 106 - HE2 LYS 85 OK 25 87 - 28 - 3421=3, 3421/1.8=3...(12) HA PHE 106 - HE3 LYS 85 OK 23 85 - 27 - 3421/1.8=3, 3421=3...(12) HB3 SER 103 - HE2 LYS 93 OK 21 98 - 22 - 10152/5.9=4, 10146=4...(8) HA3 GLY 94 - HE3 LYS 48 OK 20 96 - 21 - 1173/3.6=3, 1184/3.6=3...(8) HA3 GLY 94 - HE2 LYS 48 OK 19 90 - 21 - 1173/3.6=3, 1184/3.6=3...(8) HB3 SER 103 - HE3 LYS 93 OK 17 80 - 22 - 10152/5.9=4, 10146=4...(8) HA PHE 106 - HE2 LYS 93 OK 15 85 - 17 - 3421=2, 3.0/7239=2...(8) HA3 GLY 143 - HE3 LYS 48 OK 13 100 - 13 - 1184/3.6=4, 1173/3.6=3...(5) HA3 GLY 143 - HE2 LYS 48 OK 13 95 - 13 - 1184/3.6=4, 1173/3.6=3...(5) HA ALA 60 - HE2 LYS 85 OK 13 95 - 13 - 1643/3.5=3, ~2619=2...(6) HA ALA 60 - HE3 LYS 85 OK 12 93 - 13 - 1643/3.5=3, ~2619=2...(5) HA ALA 60 - HE3 LYS 48 OK 11 96 - 12 - 1184/3.6=2, 1173/3.6=2 HA PHE 106 - HE3 LYS 93 OK 11 66 - 16 - 3421/1.8=2, 3.0/7239=1...(8) HB3 SER 103 - HE2 LYS 85 OK 11 99 - 11 - 10146=2, 10146/1.8=2...(4) HA ALA 60 - HE2 LYS 48 OK 11 90 - 12 - 1184/3.6=2, 1173/3.6=2 HB3 SER 103 - HE3 LYS 85 OK 11 98 - 11 - 10146=2, 10146/1.8=2...(4) HA3 GLY 94 - HE2 LYS 85 lone 7 95 - 8 - ~7102=2, 9054/3091=1, 9046/5.8=1 HA3 GLY 94 - HE3 LYS 85 lone 7 93 - 8 - ~7102=2, 9054/3091=1, 9046/5.8=1 HA3 GLY 143 - HE2 LYS 93 lone 3 98 - 3 - HA ALA 60 - HE2 LYS 93 lone 3 93 - 3 - HA ALA 60 - HE3 LYS 93 lone 2 74 - 3 - HA3 GLY 143 - HE3 LYS 93 lone 2 80 - 3 - HA3 GLY 143 - HE2 LYS 85 lone 2 99 - 2 - HA3 GLY 143 - HE3 LYS 85 lone 2 98 - 2 - Peak 1229 from aliabs.peaks (1.87, 2.95, 41.80 ppm; 3.28 A): 18 out of 54 assignments used, quality = 1.00: HB3 LYS 85 + HE2 LYS 85 OK 91 99 - 93 - 4.8=31, 2600/2.9=8...(75) HB3 LYS 85 + HE3 LYS 85 OK 90 97 - 93 - 4.8=31, 2600/2.9=8...(74) * HB2 LYS 48 + HE3 LYS 48 OK 89 100 - 89 - 4.9=30, 1153/3.6=8...(76) HB3 LYS 48 + HE3 LYS 48 OK 86 96 - 89 - 4.9=30, 1174/3.6=7...(74) HB2 LYS 48 + HE2 LYS 48 OK 86 96 - 89 - 4.9=30, 1153/3.6=8...(77) HB3 LYS 48 + HE2 LYS 48 OK 80 90 - 89 - 4.9=30, 1174/3.6=7...(75) HB2 LYS 48 + HE2 LYS 93 OK 70 98 - 72 - 2.9/1191=4, 2.9/1180=4...(70) HB3 LYS 48 + HE2 LYS 93 OK 64 93 - 70 - 2.9/1191=4, 2.9/1180=4...(65) HB3 LYS 85 + HE2 LYS 93 OK 63 97 - 65 - 1.8/2650=5, 3.0/2652=4...(46) HB2 LYS 48 + HE3 LYS 93 OK 59 81 - 73 - 2.9/1191=4, 2.9/1181=3...(74) HB2 LYS 48 + HE2 LYS 85 OK 57 99 - 57 - 2607/3.5=3, 2618/3.5=3...(46) HB2 LYS 48 + HE3 LYS 85 OK 56 98 - 57 - 2607/3.5=3, 2618/3.5=3...(49) HB3 LYS 48 + HE2 LYS 85 OK 53 95 - 57 - 2.9/1180=3, 2.9/1191=3...(44) HB3 LYS 85 + HE3 LYS 48 OK 53 100 - 53 - 1.8/2650=4, 3.0/2652=3...(32) HB3 LYS 48 + HE3 LYS 93 OK 53 74 - 72 - 2.9/1191=4, 2.9/1181=3...(69) HB3 LYS 85 + HE2 LYS 48 OK 52 94 - 56 - 1.8/2650=4, 3.0/2652=4...(34) HB3 LYS 48 + HE3 LYS 85 OK 52 93 - 56 - 2.9/1191=3, 2.9/1180=3...(46) HB3 LYS 85 + HE3 LYS 93 OK 52 79 - 66 - 1.8/2661=4, 3.0/2663=4...(43) HB3 LYS 76 - HE2 LYS 85 OK 37 83 - 45 - 2597/3.5=4, 2618/3.5=4...(20) HB3 LYS 76 - HE3 LYS 85 OK 36 81 - 45 - 2597/3.5=4, 2618/3.5=4...(20) HB3 LEU 126 - HE2 LYS 85 OK 23 90 - 26 - 2607/3.5=2, 2618/3.5=2...(6) HB3 LEU 126 - HE3 LYS 85 OK 23 88 - 26 - 2607/3.5=2, 2618/3.5=2...(5) HB3 LYS 76 - HE2 LYS 93 OK 20 81 - 24 - 2268/3.8=2, ~3071=2...(10) HB2 LYS 36 - HE3 LYS 48 OK 18 96 - 19 - 1174/3.6=3, 1185/3.6=3...(4) HB2 LYS 36 - HE2 LYS 48 OK 18 90 - 20 - 1174/3.6=3, 1185/3.6=3...(5) HB3 LEU 126 - HE2 LYS 93 OK 16 88 - 18 - 3080/3.0=3, 3069/3.0=3...(7) HB3 LYS 76 - HE3 LYS 93 OK 15 62 - 25 - 2268/3.8=2, ~3071=2...(8) HB2 ARG 144 - HE3 LYS 48 OK 14 100 - 15 - 4888/3.6=3, 1174/3.6=3 HB2 ARG 144 - HE2 LYS 48 OK 14 94 - 15 - 4888/3.6=3, 1174/3.6=3 HB3 GLU 28 - HE2 LYS 93 OK 13 77 - 17 - ~8049=6, 3.0/8049=3...(5) HB3 LEU 126 - HE3 LYS 93 OK 13 69 - 18 - 3080/3.0=3, 3069/3.0=3...(7) HB2 LYS 36 - HE2 LYS 85 OK 13 95 - 13 - ~677=1, 2618/3.5=1, 2607/3.5=1 HB2 LYS 36 - HE3 LYS 85 OK 12 93 - 12 - ~677=1, 2618/3.5=1, 2607/3.5=1 HB3 LYS 76 - HE3 LYS 48 OK 11 85 - 13 - 1174/3.6=1 HB2 LYS 36 - HE2 LYS 93 OK 10 93 - 11 - HB3 LYS 76 - HE2 LYS 48 OK 10 78 - 13 - 1174/3.6=1 HB3 GLU 28 - HE2 LYS 85 poor 9 80 - 11 - 3.0/8049=2, ~8050=1...(5) HB3 GLU 28 - HE3 LYS 85 poor 9 77 - 11 - 3.0/8049=2, 3.0/8050=1...(5) HB3 GLU 28 - HE3 LYS 93 poor 8 59 - 14 - 3.0/8050=3, 3.0/8049=3...(5) HB2 ARG 144 - HE2 LYS 85 lone 8 99 - 8 - HB2 LYS 36 - HE3 LYS 93 poor 8 74 - 10 - HB2 ARG 144 - HE3 LYS 85 lone 8 97 - 8 - HB3 LEU 126 - HE3 LYS 48 lone 7 92 - 8 - HB3 GLU 28 - HE3 LYS 48 lone 7 81 - 8 - 3.0/8049=2, ~8049=1 HB3 LEU 126 - HE2 LYS 48 lone 7 84 - 8 - HB3 GLU 28 - HE2 LYS 48 lone 6 74 - 8 - 3.0/8049=2, ~8049=1 HG LEU 69 - HE2 LYS 85 lone 5 87 - 6 - 2618/3.5=1 HG LEU 69 - HE3 LYS 85 lone 5 85 - 6 - 2618/3.5=1 HG LEU 69 - HE2 LYS 93 lone 4 85 - 5 - HG LEU 69 - HE3 LYS 48 lone 4 89 - 4 - HG LEU 69 - HE2 LYS 48 lone 3 81 - 4 - HG LEU 69 - HE3 LYS 93 lone 3 66 - 5 - HB2 ARG 144 - HE2 LYS 93 lone 2 97 - 2 - HB2 ARG 144 - HE3 LYS 93 lone 2 79 - 2 - Peak 1230 from aliabs.peaks (1.87, 2.95, 41.80 ppm; 3.28 A): 17 out of 54 assignments used, quality = 1.00: * HB3 LYS 48 + HE3 LYS 48 OK 89 100 - 89 - 4.9=30, 1165/3.6=7...(74) HB2 LYS 48 + HE3 LYS 48 OK 86 96 - 89 - 4.9=30, 1174/3.6=7...(76) HB3 LYS 48 + HE2 LYS 48 OK 85 96 - 89 - 4.9=30, 1165/3.6=7...(75) HB3 LYS 85 + HE2 LYS 85 OK 80 87 - 92 - 4.8=31, 1.8/2650=8...(75) HB2 LYS 48 + HE2 LYS 48 OK 80 90 - 89 - 4.9=30, 1174/3.6=7...(77) HB3 LYS 85 + HE3 LYS 85 OK 78 85 - 92 - 4.8=31, 1.8/2661=7...(74) HB3 LYS 48 + HE2 LYS 93 OK 69 98 - 70 - 2.9/1191=4, 2.9/1180=4...(65) HB2 LYS 48 + HE2 LYS 93 OK 66 93 - 71 - 2.9/1191=4, 2.9/1180=4...(68) HB3 LYS 48 + HE3 LYS 93 OK 58 81 - 72 - 2.9/1191=4, 2.9/1181=3...(69) HB3 LYS 48 + HE2 LYS 85 OK 55 99 - 56 - 2.9/1180=3, 2.9/1191=3...(44) HB3 LYS 48 + HE3 LYS 85 OK 54 98 - 56 - 2.9/1191=3, 2.9/1180=3...(46) HB3 LYS 85 + HE2 LYS 93 OK 54 85 - 64 - 1.8/2650=5, 3.0/2652=4...(46) HB2 LYS 48 + HE3 LYS 93 OK 54 74 - 73 - 2.9/1191=4, 2.9/1181=3...(72) HB2 LYS 48 + HE2 LYS 85 OK 52 95 - 55 - 2.9/1180=3, 2.9/1191=3...(46) HB2 LYS 48 + HE3 LYS 85 OK 51 93 - 55 - 2.9/1191=3, 2.9/1180=3...(49) HB3 LYS 93 + HE2 LYS 93 OK 50 54 - 93 - 5.1=26, ~3069=13...(77) HB3 LYS 85 + HE3 LYS 48 OK 46 89 - 52 - 1.8/2650=4, 3.0/2652=3...(32) HB3 LYS 85 - HE2 LYS 48 OK 45 81 - 55 - 1.8/2650=4, 3.0/2652=4...(34) HB3 LYS 93 - HE3 LYS 48 OK 45 57 - 78 - ~3069=4, ~3080=4...(60) HB3 LYS 93 - HE2 LYS 85 OK 44 56 - 79 - 2.9/3064=4, 1.8/3030=4...(67) HB3 LYS 85 - HE3 LYS 93 OK 42 66 - 64 - 1.8/2661=4, 3.0/2663=4...(43) HB3 LYS 93 - HE3 LYS 85 OK 42 54 - 78 - 2.9/3065=4, 1.8/3031=4...(65) HB3 LYS 93 - HE2 LYS 48 OK 41 51 - 81 - ~3069=4, ~3080=4...(66) HB3 LYS 93 - HE3 LYS 93 OK 37 39 - 93 - 5.1=26, ~3069=13...(85) HB2 LYS 36 - HE3 LYS 48 OK 19 100 - 19 - 1174/3.6=3, 1186/3.6=3...(4) HB2 LYS 36 - HE2 LYS 48 OK 19 96 - 20 - 1174/3.6=3, 1186/3.6=3...(5) HB3 LEU 126 - HE2 LYS 85 OK 16 66 - 24 - 2607/3.5=2, 2618/3.5=2...(5) HB3 LEU 126 - HE3 LYS 85 OK 15 63 - 24 - 2607/3.5=2, 2618/3.5=2...(4) HB2 ARG 144 - HE3 LYS 48 OK 14 100 - 14 - 4888/3.6=3, 1174/3.6=2 HB3 ARG 141 - HE3 LYS 48 OK 14 72 - 20 - 1175/3.6=2, 1186/3.6=2...(7) HB2 ARG 144 - HE2 LYS 48 OK 14 94 - 14 - 4888/3.6=3, 1174/3.6=2 HB3 ARG 141 - HE2 LYS 48 OK 13 65 - 20 - 1175/3.6=2, 1186/3.6=2...(7) HB2 LYS 36 - HE2 LYS 85 OK 13 99 - 13 - ~677=1 HB2 LYS 36 - HE3 LYS 85 OK 12 98 - 12 - ~677=1 HB2 LYS 36 - HE2 LYS 93 OK 11 98 - 11 - HB3 ARG 141 - HE2 LYS 93 OK 11 68 - 16 - 4791/3.0=2, ~4782=1...(4) HB3 LEU 126 - HE2 LYS 93 poor 10 63 - 15 - 3080/3.0=3, 3069/3.0=2...(6) HB2 LYS 36 - HE3 LYS 93 poor 8 81 - 10 - HB3 ARG 141 - HE3 LYS 93 poor 8 51 - 16 - 4791/3.0=2, ~4782=1...(4) HB3 LEU 126 - HE3 LYS 93 poor 7 47 - 16 - 3080/3.0=3, 3069/3.0=2...(6) HB2 ARG 144 - HE2 LYS 85 lone 7 99 - 7 - HB2 ARG 144 - HE3 LYS 85 lone 7 97 - 7 - HB3 LEU 126 - HE3 LYS 48 lone 5 68 - 7 - HB3 LEU 126 - HE2 LYS 48 lone 4 60 - 7 - HG LEU 69 - HE2 LYS 85 lone 3 61 - 5 - HB3 ARG 141 - HE2 LYS 85 lone 3 71 - 4 - HG LEU 69 - HE3 LYS 85 lone 3 59 - 4 - HG LEU 69 - HE2 LYS 93 lone 3 59 - 4 - HB3 ARG 141 - HE3 LYS 85 lone 3 68 - 4 - HB2 ARG 144 - HE2 LYS 93 lone 2 97 - 2 - HG LEU 69 - HE3 LYS 48 lone 2 62 - 4 - HG LEU 69 - HE2 LYS 48 lone 2 56 - 4 - HG LEU 69 - HE3 LYS 93 lone 2 43 - 4 - HB2 ARG 144 - HE3 LYS 93 lone 2 79 - 2 - Peak 1231 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 3.12 A): 7 out of 30 assignments used, quality = 1.00: * HG2 LYS 48 + HE3 LYS 48 OK 94 100 - 94 - 3.6=66, 1198/3.0=12...(62) HG2 LYS 48 + HE2 LYS 48 OK 90 96 - 94 - 3.6=66, 1198/3.0=12...(67) HG2 LYS 48 + HE2 LYS 93 OK 69 98 - 71 - 1180=7, 1178/3.0=7...(35) HG2 LYS 48 + HE3 LYS 93 OK 58 81 - 72 - 1178/3.0=7, 1179/3.0=6...(33) HG2 LYS 24 + HE2 LYS 93 OK 58 98 - 59 - 10906/3.8=12, ~10909=10...(21) HG2 LYS 48 + HE2 LYS 85 OK 53 99 - 54 - 1180=5, 1.8/1191=4...(19) HG2 LYS 48 + HE3 LYS 85 OK 52 98 - 53 - 1180=5, 1180/1.8=4...(19) HG2 LYS 24 - HE3 LYS 93 OK 44 80 - 55 - 10906/3.8=12...(18) HG2 LYS 24 - HE3 LYS 48 OK 15 100 - 15 - 1187/3.6=2, 10906/3065=1 HG2 LYS 24 - HE2 LYS 48 OK 15 95 - 15 - 1187/3.6=2, 1209/3.0=1 HB3 LYS 114 - HE2 LYS 93 OK 13 73 - 18 - 3756/3.0=3, 3760/3.8=3...(7) HG2 LYS 24 - HE2 LYS 85 OK 11 99 - 12 - ~10909=1, 10906/3064=1 HB3 LYS 114 - HE3 LYS 48 OK 11 77 - 14 - 1187/3.6=2, 3756/3.0=1...(4) HG2 LYS 24 - HE3 LYS 85 OK 10 98 - 11 - 3.0/10909=1, 10906/3065=1 HB3 LYS 114 - HE3 LYS 93 OK 10 55 - 19 - 3756/3.0=3, 3760/3.8=3...(7) HG12 ILE 91 - HE2 LYS 93 poor 10 97 - 10 - 3.2/10640=2, ~10640=1 HB3 LYS 114 - HE2 LYS 48 poor 10 70 - 14 - 1187/3.6=2, 3756/3.0=1...(4) HG12 ILE 91 - HE3 LYS 48 lone 9 100 - 9 - 1187/3.6=2 HG12 ILE 91 - HE2 LYS 48 lone 8 94 - 9 - 1187/3.6=2 HG12 ILE 91 - HE3 LYS 93 poor 8 79 - 11 - ~10640=2, 3.2/10640=2 HB3 LYS 123 - HE2 LYS 85 lone 6 87 - 7 - HB3 LYS 123 - HE3 LYS 85 lone 6 85 - 7 - HB3 LYS 123 - HE3 LYS 48 lone 5 89 - 6 - 1187/3.6=1 HB3 LYS 123 - HE2 LYS 48 lone 5 81 - 6 - 1187/3.6=1 HG12 ILE 91 - HE2 LYS 85 lone 4 99 - 4 - HG12 ILE 91 - HE3 LYS 85 lone 4 97 - 4 - HB3 LYS 114 - HE2 LYS 85 lone 2 75 - 3 - HB3 LYS 123 - HE2 LYS 93 lone 2 85 - 2 - HB3 LYS 114 - HE3 LYS 85 lone 2 73 - 3 - HB3 LYS 123 - HE3 LYS 93 lone 2 66 - 2 - Peak 1232 from aliabs.peaks (1.61, 2.95, 41.80 ppm; 2.50 A): 3 out of 66 assignments used, quality = 0.96: * HG3 LYS 48 + HE3 LYS 48 OK 74 100 - 74 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE2 LYS 48 OK 72 96 - 75 - 3.6=34, 1189/3.0=6...(22) HG3 LYS 48 + HE2 LYS 93 OK 47 98 - 48 - 1189/3.0=4, 1191=4...(22) HG3 LYS 48 - HE3 LYS 93 OK 41 81 - 52 - 1189/3.0=4, 1191/1.8=3...(23) HG3 LYS 48 - HE2 LYS 85 OK 34 99 - 34 - 1191=3, 1.8/1180=2...(8) HG3 LYS 48 - HE3 LYS 85 OK 34 98 - 35 - 1191=3, 1191/1.8=3...(10) HB2 LEU 87 - HE3 LYS 85 OK 22 93 - 24 - 3.2/10052=4, 8886=3...(12) HB2 LEU 87 - HE2 LYS 85 OK 20 95 - 21 - 3.2/10052=3, 8886/1.8=3...(10) HD2 LYS 24 - HE2 LYS 93 OK 20 63 - 31 - 10909/1.8=11...(7) HD2 LYS 24 - HE3 LYS 93 OK 14 47 - 29 - 10909=9, 10911/3.0=8...(7) HG3 ARG 144 - HE3 LYS 48 OK 10 100 - 10 - 1177/3.6=2, 4912/4.9=1 HG3 ARG 144 - HE2 LYS 48 poor 10 95 - 10 - 1177/3.6=2, 4912/4.9=1 HG2 ARG 141 - HE3 LYS 48 lone 9 92 - 10 - 1177/3.6=1, 4800/3.0=1 HB2 LEU 87 - HE3 LYS 48 lone 9 96 - 9 - 3.2/10052=1, 8886=1, 1177/3.6=1 HG2 ARG 141 - HE2 LYS 48 poor 9 84 - 11 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 141 - HE2 LYS 93 lone 7 88 - 8 - 4800/3.0=1 HB2 LEU 87 - HE2 LYS 48 lone 7 90 - 7 - 8886/1.8=1, 1177/3.6=1 HG2 ARG 144 - HE3 LYS 48 lone 6 77 - 8 - 1177/3.6=1, 4800/3.0=1 HG2 ARG 141 - HE3 LYS 93 lone 5 69 - 8 - 4800/3.0=1 HG2 ARG 144 - HE2 LYS 48 lone 5 70 - 8 - 1177/3.6=1, 4800/3.0=1 HB2 LEU 87 - HE2 LYS 93 lone 4 93 - 5 - HB2 LEU 87 - HE3 LYS 93 lone 4 74 - 6 - 3.2/10052=1 HB2 LEU 97 - HE3 LYS 48 lone 4 89 - 4 - HB2 LEU 97 - HE2 LYS 48 lone 4 81 - 5 - HD2 LYS 24 - HE3 LYS 48 lone 4 68 - 5 - HD2 LYS 24 - HE2 LYS 48 lone 3 60 - 6 - 10909/1.8=1 HB2 LEU 97 - HE2 LYS 93 lone 3 85 - 4 - HD2 LYS 24 - HE2 LYS 85 lone 3 66 - 5 - 10909/1.8=1 HG3 ARG 144 - HE2 LYS 85 lone 3 99 - 3 - HG3 ARG 49 - HE3 LYS 48 lone 3 100 - 3 - HG3 ARG 144 - HE3 LYS 85 lone 3 98 - 3 - HG3 ARG 49 - HE2 LYS 48 lone 3 96 - 3 - HD2 LYS 24 - HE3 LYS 85 lone 3 63 - 4 - 10909=1 HG LEU 108 - HE3 LYS 48 lone 2 94 - 3 - HG LEU 108 - HE2 LYS 48 lone 2 87 - 3 - HB2 LEU 97 - HE3 LYS 93 lone 2 66 - 3 - HG2 ARG 144 - HE2 LYS 85 lone 2 75 - 2 - HG2 ARG 144 - HE3 LYS 85 lone 2 73 - 2 - HG LEU 108 - HE2 LYS 85 lone 1 93 - 1 - HG3 ARG 144 - HE2 LYS 93 lone 1 98 - 1 - HG2 ARG 141 - HE2 LYS 85 lone 1 90 - 1 - HG2 ARG 141 - HE3 LYS 85 lone 1 88 - 1 - HG LEU 108 - HE3 LYS 85 lone 1 90 - 1 - HG3 ARG 144 - HE3 LYS 93 lone 1 80 - 1 - HG LEU 108 - HE2 LYS 93 lone 1 90 - 1 - HG2 ARG 144 - HE2 LYS 93 lone 1 73 - 1 - HG3 ARG 49 - HE2 LYS 93 lone 1 98 - 1 - HG3 LYS 34 - HE2 LYS 93 lone 1 63 - 1 - HB3 LEU 64 - HE2 LYS 85 lone 1 66 - 1 - HB3 LEU 64 - HE3 LYS 85 lone 1 63 - 1 - HG3 ARG 49 - HE2 LYS 85 lone 1 99 - 1 - HB2 LEU 97 - HE2 LYS 85 lone 1 87 - 1 - HG2 ARG 144 - HE3 LYS 93 lone 1 55 - 1 - HG3 ARG 49 - HE3 LYS 85 lone 1 98 - 1 - HG LEU 108 - HE3 LYS 93 lone 1 71 - 1 - HG3 ARG 49 - HE3 LYS 93 lone 1 81 - 1 - HB2 LEU 97 - HE3 LYS 85 lone 1 85 - 1 - HB3 LEU 64 - HE3 LYS 48 lone 1 68 - 1 - HB3 LEU 64 - HE2 LYS 48 lone 0 60 - 1 - HG3 LYS 34 - HE3 LYS 93 lone 0 47 - 1 - HG3 LYS 34 - HE3 LYS 48 lone 0 68 - 1 - HG3 LYS 34 - HE2 LYS 85 lone 0 66 - 1 - HB3 LEU 64 - HE2 LYS 93 lone 0 63 - 1 - HG3 LYS 34 - HE2 LYS 48 lone 0 60 - 1 - HG3 LYS 34 - HE3 LYS 85 lone 0 63 - 1 - HB3 LEU 64 - HE3 LYS 93 lone 0 47 - 1 - Peak 1233 from aliabs.peaks (1.67, 2.95, 41.80 ppm; 2.64 A): 12 out of 78 assignments used, quality = 1.00: HD3 LYS 93 + HE2 LYS 93 OK 89 98 - 91 - 3.0=70, 3087/1.8=7...(54) * HD2 LYS 48 + HE3 LYS 48 OK 87 100 - 87 - 3.0=70, 1198/3.6=6...(42) HD2 LYS 48 + HE2 LYS 48 OK 83 96 - 87 - 3.0=70, 1198/3.6=6...(43) HD3 LYS 48 + HE3 LYS 48 OK 81 94 - 86 - 3.0=70, 1198/3.6=5...(42) HD3 LYS 48 + HE2 LYS 48 OK 75 87 - 86 - 3.0=70, 1198/3.6=5...(42) HD3 LYS 93 + HE3 LYS 93 OK 73 80 - 91 - 3.0=70, 3086/1.8=6...(52) HD3 LYS 93 + HE2 LYS 85 OK 62 99 - 63 - 3086=6, 3087/1.8=5...(25) HD3 LYS 93 + HE2 LYS 48 OK 61 95 - 64 - 3086=7, 1.8/3075=4...(27) HD3 LYS 93 + HE3 LYS 48 OK 61 100 - 61 - 3086=6, 3086/1.8=5...(26) HD3 LYS 93 + HE3 LYS 85 OK 60 98 - 62 - 3087=6, 3086/1.8=4...(22) HD2 LYS 48 + HE2 LYS 93 OK 51 98 - 52 - 3074/3.0=4, 1202=4...(25) HD3 LYS 48 + HE2 LYS 93 OK 46 90 - 51 - 3074/3.0=4, 1202=3...(25) HD2 LYS 48 - HE3 LYS 93 OK 42 81 - 53 - 3074/3.0=4, 1203=4...(28) HD2 LYS 48 - HE2 LYS 85 OK 37 99 - 37 - 1202=3, 3.0/1180=2...(5) HD3 LYS 48 - HE3 LYS 93 OK 37 71 - 52 - 3074/3.0=4, 1203=3...(27) HD2 LYS 48 - HE3 LYS 85 OK 36 98 - 37 - 1203=3, 1202/1.8=2...(5) HD3 LYS 48 - HE2 LYS 85 OK 33 93 - 36 - 1202=2, 3.0/1180=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 32 90 - 35 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 18 98 - 18 - 3130/3.0=4, ~3137=1...(5) HG13 ILE 136 - HE2 LYS 93 OK 17 98 - 17 - 3074/3.0=2, 3086=1...(7) HB2 LEU 95 - HE3 LYS 93 OK 14 81 - 18 - 3130/3.0=4, ~3137=1...(5) HG13 ILE 136 - HE3 LYS 93 OK 14 80 - 17 - 3074/3.0=2, 3087=1...(6) HG2 ARG 89 - HE2 LYS 93 OK 11 98 - 11 - 3074/3.0=1 HB2 PRO 57 - HE2 LYS 93 poor 10 88 - 11 - 1517/3.8=1, 3074/3.0=1 HG2 ARG 89 - HE3 LYS 93 poor 9 81 - 11 - 3074/3.0=1 HB2 LYS 114 - HE2 LYS 93 poor 8 59 - 14 - ~3756=1, 3748/3.8=1, 3074/3.0=1 HB2 PRO 57 - HE3 LYS 93 poor 8 69 - 11 - 1517/3.8=1, 3074/3.0=1 HB2 LYS 114 - HE3 LYS 48 poor 6 62 - 10 - HB2 LYS 114 - HE3 LYS 93 poor 6 43 - 14 - ~3756=1, 3748/3.8=1, 3074/3.0=1 HG13 ILE 136 - HE3 LYS 48 lone 6 100 - 6 - HG13 ILE 136 - HE2 LYS 48 lone 6 95 - 6 - HB2 LYS 114 - HE2 LYS 48 poor 6 56 - 10 - HB2 ARG 145 - HE2 LYS 85 lone 6 99 - 6 - HB2 ARG 145 - HE3 LYS 85 lone 6 97 - 6 - HG2 ARG 140 - HE2 LYS 93 lone 5 77 - 7 - HB2 PRO 57 - HE2 LYS 85 lone 4 90 - 5 - HB2 PRO 57 - HE3 LYS 85 lone 4 88 - 5 - HB2 LEU 95 - HE3 LYS 48 lone 4 100 - 4 - HB2 LEU 95 - HE2 LYS 85 lone 4 99 - 4 - HB2 LEU 95 - HE3 LYS 85 lone 4 98 - 4 - HB2 LEU 95 - HE2 LYS 48 lone 4 96 - 4 - HB2 MET 68 - HE3 LYS 48 lone 4 96 - 4 - HG2 ARG 140 - HE3 LYS 93 lone 4 59 - 7 - HB2 MET 68 - HE2 LYS 48 lone 4 90 - 4 - HG2 ARG 89 - HE3 LYS 48 lone 3 100 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 3 96 - 3 - HG13 ILE 136 - HE2 LYS 85 lone 3 99 - 3 - HB2 MET 68 - HE2 LYS 93 lone 3 93 - 3 - HG13 ILE 136 - HE3 LYS 85 lone 3 98 - 3 - HB VAL 71 - HE2 LYS 93 lone 2 98 - 2 - HB VAL 71 - HE3 LYS 93 lone 2 81 - 2 - HB2 MET 68 - HE3 LYS 93 lone 2 74 - 3 - HB2 ARG 145 - HE3 LYS 48 lone 2 100 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 80 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 94 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 2 77 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 2 77 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 2 81 - 2 - HB VAL 71 - HE3 LYS 48 lone 2 100 - 2 - HB2 PRO 57 - HE3 LYS 48 lone 2 92 - 2 - HB VAL 71 - HE2 LYS 48 lone 2 96 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 97 - 1 - HB2 PRO 57 - HE2 LYS 48 lone 1 84 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 1 74 - 2 - HG2 ARG 140 - HE3 LYS 48 lone 1 81 - 2 - HG2 ARG 140 - HE2 LYS 48 lone 1 74 - 2 - HG2 ARG 124 - HE3 LYS 93 lone 1 59 - 2 - HB2 ARG 145 - HE3 LYS 93 lone 1 79 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 99 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 98 - 1 - HB2 LYS 114 - HE2 LYS 85 lone 1 61 - 2 - HB2 LYS 114 - HE3 LYS 85 lone 1 59 - 2 - HB2 MET 68 - HE2 LYS 85 lone 1 95 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 93 - 1 - HB VAL 71 - HE2 LYS 85 lone 1 99 - 1 - HB VAL 71 - HE3 LYS 85 lone 1 98 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 1 80 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 0 77 - 1 - Peak 1234 from aliabs.peaks (1.67, 2.95, 41.80 ppm; 2.64 A): 12 out of 72 assignments used, quality = 1.00: * HD3 LYS 48 + HE3 LYS 48 OK 86 100 - 86 - 3.0=70, 1190/3.6=5...(42) HD3 LYS 48 + HE2 LYS 48 OK 83 96 - 86 - 3.0=70, 1190/3.6=5...(42) HD2 LYS 48 + HE3 LYS 48 OK 82 94 - 87 - 3.0=70, 1198/3.6=6...(41) HD3 LYS 93 + HE2 LYS 93 OK 80 88 - 91 - 3.0=70, 1.8/3075=6...(54) HD2 LYS 48 + HE2 LYS 48 OK 76 87 - 87 - 3.0=70, 1198/3.6=6...(42) HD3 LYS 93 + HE3 LYS 93 OK 62 69 - 91 - 3.0=70, 1.8/3076=6...(52) HD3 LYS 93 + HE2 LYS 85 OK 56 90 - 62 - 3086=6, 1.8/3075=4...(25) HD3 LYS 93 + HE3 LYS 48 OK 55 92 - 60 - 3086=5, 1.8/3075=4...(26) HD3 LYS 93 + HE3 LYS 85 OK 53 88 - 61 - 3087=5, 1.8/3076=4...(22) HD3 LYS 93 + HE2 LYS 48 OK 53 84 - 63 - 3086=6, 1.8/3075=4...(27) HD3 LYS 48 + HE2 LYS 93 OK 50 98 - 52 - 3084/3.0=3, 3075=3...(25) HD2 LYS 48 + HE2 LYS 93 OK 46 90 - 51 - 1202=4, 3074/3.0=3...(25) HD3 LYS 48 - HE3 LYS 93 OK 42 81 - 52 - 3084/3.0=3, 3076=3...(27) HD2 LYS 48 - HE3 LYS 93 OK 37 71 - 52 - 1203=3, 3074/3.0=3...(28) HD3 LYS 48 - HE2 LYS 85 OK 36 99 - 36 - 3075=2, 3.0/1180=2...(6) HD3 LYS 48 - HE3 LYS 85 OK 35 98 - 36 - 3076=2, 3.0/1191=2...(6) HD2 LYS 48 - HE2 LYS 85 OK 34 93 - 37 - 1202=2, 3.0/1180=2...(5) HD2 LYS 48 - HE3 LYS 85 OK 33 90 - 36 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 16 90 - 17 - 3130/3.0=3, ~3137=1...(5) HG13 ILE 136 - HE2 LYS 93 OK 15 93 - 16 - 3074/3.0=1, 3086=1...(6) HB2 LEU 95 - HE3 LYS 93 OK 12 71 - 17 - 3130/3.0=3, ~3137=1...(5) HG13 ILE 136 - HE3 LYS 93 OK 12 74 - 16 - 3074/3.0=1, ~4631=1...(6) HG3 ARG 141 - HE3 LYS 48 OK 12 85 - 14 - 1190/3.6=1, 1179/3.6=1 HG3 ARG 141 - HE2 LYS 48 OK 11 78 - 14 - 1190/3.6=1, 1179/3.6=1 HG2 ARG 89 - HE2 LYS 93 poor 10 90 - 11 - 3074/3.0=1 HG3 ARG 141 - HE2 LYS 93 poor 10 81 - 12 - 3084/3.0=1 HG2 ARG 89 - HE3 LYS 93 poor 7 71 - 11 - 3074/3.0=1 HG3 ARG 141 - HE3 LYS 93 poor 7 62 - 12 - 3084/3.0=1 HB2 PRO 57 - HE2 LYS 93 lone 6 59 - 10 - HB2 ARG 145 - HE2 LYS 85 lone 6 98 - 6 - HB2 ARG 145 - HE3 LYS 85 lone 6 96 - 6 - HG13 ILE 136 - HE3 LYS 48 lone 5 96 - 5 - HG13 ILE 136 - HE2 LYS 48 lone 5 90 - 6 - HG LEU 97 - HE3 LYS 48 lone 5 81 - 6 - HB2 PRO 57 - HE3 LYS 93 lone 4 43 - 10 - HB2 MET 68 - HE3 LYS 48 lone 4 100 - 4 - HG LEU 97 - HE2 LYS 93 lone 4 77 - 5 - HB2 MET 68 - HE2 LYS 48 lone 4 95 - 4 - HG LEU 97 - HE2 LYS 48 lone 4 74 - 6 - HB2 LEU 95 - HE3 LYS 48 lone 4 94 - 4 - HB2 LEU 95 - HE2 LYS 85 lone 4 93 - 4 - HB2 LEU 95 - HE3 LYS 85 lone 4 90 - 4 - HB2 LEU 95 - HE2 LYS 48 lone 4 87 - 4 - HG LEU 97 - HE3 LYS 93 lone 3 59 - 5 - HG2 ARG 89 - HE3 LYS 48 lone 3 94 - 3 - HG2 ARG 89 - HE2 LYS 48 lone 3 87 - 3 - HB2 PRO 57 - HE2 LYS 85 lone 3 61 - 4 - HB2 MET 68 - HE2 LYS 93 lone 3 98 - 3 - HB2 PRO 57 - HE3 LYS 85 lone 3 59 - 4 - HG13 ILE 136 - HE2 LYS 85 lone 2 95 - 2 - HG13 ILE 136 - HE3 LYS 85 lone 2 93 - 2 - HB VAL 71 - HE2 LYS 93 lone 2 90 - 2 - HB2 MET 68 - HE3 LYS 93 lone 2 80 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 2 99 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 93 - 2 - HB VAL 71 - HE3 LYS 93 lone 2 71 - 2 - HG3 ARG 141 - HE2 LYS 85 lone 2 83 - 2 - HB2 ARG 145 - HE2 LYS 93 lone 1 96 - 1 - HG3 ARG 141 - HE3 LYS 85 lone 1 81 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 94 - 1 - HB VAL 71 - HE2 LYS 48 lone 1 87 - 1 - HB2 ARG 145 - HE3 LYS 93 lone 1 78 - 1 - HG2 ARG 89 - HE2 LYS 85 lone 1 93 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 90 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 99 - 1 - HG LEU 97 - HE2 LYS 85 lone 1 80 - 1 - HB2 PRO 57 - HE3 LYS 48 lone 1 62 - 1 - HG LEU 97 - HE3 LYS 85 lone 1 77 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 98 - 1 - HB2 PRO 57 - HE2 LYS 48 lone 1 56 - 1 - HB VAL 71 - HE2 LYS 85 lone 1 93 - 1 - HB VAL 71 - HE3 LYS 85 lone 0 90 - 1 - Peak 1235 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 99 99 - 100 HE2 LYS 93 + HE2 LYS 93 OK 98 98 - 100 HE2 LYS 48 + HE2 LYS 48 OK 96 96 - 100 HE3 LYS 85 + HE3 LYS 85 OK 90 90 - 100 HE3 LYS 93 + HE3 LYS 93 OK 59 59 - 100 Reference assignment not found: HE2 LYS 48 - HE3 LYS 48 Peak 1236 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 48 + HE3 LYS 48 OK 100 100 - 100 HE2 LYS 85 + HE2 LYS 85 OK 99 99 - 100 HE2 LYS 93 + HE2 LYS 93 OK 97 97 - 100 HE3 LYS 85 + HE3 LYS 85 OK 97 97 - 100 HE2 LYS 48 + HE2 LYS 48 OK 93 93 - 100 HE3 LYS 93 + HE3 LYS 93 OK 71 71 - 100 Peak 1239 from aliabs.peaks (4.27, 4.27, 55.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 49 + HA ARG 49 OK 100 100 - 100 Peak 1240 from aliabs.peaks (1.74, 4.27, 55.41 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HA ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 140 - HA ARG 49 OK 35 100 - 35 - 4742=7, 1.8/4733=4...(13) HB3 ARG 144 - HA ARG 49 OK 29 81 - 36 - 4.0/8200=5, 3.0/1243=3...(19) HB2 GLU 81 - HA ARG 49 OK 21 100 - 21 - 1258/3.0=3, 1276/3.9=2...(9) HD2 LYS 36 - HA ARG 49 OK 20 89 - 22 - 2.9/1242=3, 1258/3.0=3...(8) HB ILE 58 - HA ARG 49 OK 16 89 - 18 - ~10418=5, 3.9/8200=3...(7) HB3 GLU 81 - HA ARG 49 OK 12 68 - 18 - 1258/3.0=2, ~1258=2...(6) Peak 1241 from aliabs.peaks (1.36, 4.27, 55.41 ppm; 3.10 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 49 + HA ARG 49 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 - HA ARG 49 OK 36 99 - 36 - 1250/3.0=6, 1268/3.9=4...(14) HB3 LEU 39 - HA ARG 49 OK 15 77 - 19 - 1250/3.0=3, 1277/3.9=2...(9) HG LEU 132 - HA ARG 49 poor 9 72 - 13 - 1250/3.0=2, 1277/3.9=1...(5) Peak 1242 from aliabs.peaks (1.40, 4.27, 55.41 ppm; 3.27 A): 3 out of 8 assignments used, quality = 0.93: * HG2 ARG 49 + HA ARG 49 OK 87 100 - 87 - 3.9=59, 1268/3.0=17...(19) HB2 ARG 35 + HA ARG 49 OK 25 89 - 29 - 2.9/10466=4, ~10468=4...(13) HG2 LYS 36 + HA ARG 49 OK 22 96 - 23 - 1251/3.0=3, 1260/3.0=3...(8) HG2 LYS 86 - HA ARG 49 OK 20 96 - 21 - 1260/3.0=4, 1251/3.0=3...(10) HB2 ARG 109 - HA ARG 49 OK 12 94 - 12 - 1260/3.0=2, 1251/3.0=2...(7) HB VAL 82 - HA ARG 49 OK 11 98 - 11 - 1251/3.0=2, 1260/3.0=2...(4) HG LEU 116 - HA ARG 49 OK 10 94 - 11 - ~10691=2, 1251/3.0=2...(4) HB2 LEU 69 - HA ARG 49 poor 8 72 - 11 - 1260/3.0=2, 6476/3.6=2...(4) Peak 1243 from aliabs.peaks (1.61, 4.27, 55.41 ppm; 3.64 A): 3 out of 11 assignments used, quality = 0.99: * HG3 ARG 49 + HA ARG 49 OK 95 100 - 95 - 3.9=81, 1.8/1242=19...(19) HG3 LYS 48 + HA ARG 49 OK 46 100 - 46 - 1184/4.8=9, 1193/2.9=9...(16) HG3 ARG 144 + HA ARG 49 OK 46 100 - 46 - 4913/3.0=5, 4.9/8200=5...(24) HG2 ARG 144 - HA ARG 49 OK 34 77 - 44 - 4.9/8200=5, 3.0/1240=4...(23) HB2 LEU 97 - HA ARG 49 OK 28 89 - 31 - 3195/3.6=6, 4.0/1246=5...(11) HG LEU 108 - HA ARG 49 OK 18 94 - 19 - 1277/3.0=3, 1252/3.0=3...(8) HB2 LEU 87 - HA ARG 49 OK 13 96 - 13 - 1252/3.0=2, 1261/3.0=2...(5) HG2 ARG 141 - HA ARG 49 poor 10 92 - 11 - 1142/4.8=2, 4.9/7833=1 HD2 LYS 24 - HA ARG 49 poor 7 68 - 11 - 11345/2.9=4, ~11344=3 HB3 LEU 64 - HA ARG 49 lone 7 68 - 10 - 6477/3.6=1, 1252/3.0=1...(4) HG3 LYS 34 - HA ARG 49 lone 3 68 - 4 - Peak 1244 from aliabs.peaks (2.08, 4.27, 55.41 ppm; 4.83 A): 2 out of 9 assignments used, quality = 0.99: * HD2 ARG 49 + HA ARG 49 OK 98 100 - 98 - 5.2=82, 3.0/1242=22...(18) HB2 PRO 129 + HA ARG 49 OK 56 98 - 57 - 3.0/8198=12, 3.0/8198=9...(16) HA ARG 35 - HA ARG 49 OK 28 77 - 37 - 3.9/10466=9, 3.0/1242=6...(10) HB3 LYS 61 - HA ARG 49 OK 19 100 - 19 - ~10527=4, 1262/3.0=4...(7) HB2 LEU 26 - HA ARG 49 OK 15 100 - 15 - 1262/3.0=3, 1253/3.0=2...(6) HG2 GLU 122 - HA ARG 49 OK 11 81 - 14 - 1298/5.2=3, 1280/3.9=2...(6) HG3 PRO 33 - HA ARG 49 lone 9 96 - 10 - 1253/3.0=2, 1262/3.0=1...(5) HB2 GLU 131 - HA ARG 49 lone 8 99 - 8 - 1262/3.0=1, 1253/3.0=1 HB3 GLU 142 - HA ARG 49 lone 4 68 - 5 - Peak 1245 from aliabs.peaks (3.08, 4.27, 55.41 ppm; 4.92 A): 2 out of 7 assignments used, quality = 0.99: * HD3 ARG 49 + HA ARG 49 OK 99 100 - 99 - 5.2=87, 3.0/1242=22...(18) HA2 GLY 78 + HA ARG 49 OK 64 100 - 64 - 2349=10, 1254/3.0=9...(16) HE2 LYS 86 - HA ARG 49 OK 26 68 - 39 - 1263/3.0=5, 1254/3.0=5...(13) HE3 LYS 86 - HA ARG 49 OK 24 62 - 39 - 3.9/1242=5, 1263/3.0=5...(13) HB3 TRP 88 - HA ARG 49 OK 21 98 - 21 - 2843/6.4=3, 1272/3.9=3...(8) HB3 ASP 30 - HA ARG 49 lone 7 94 - 7 - 1263/3.0=1, 1254/3.0=1 HB3 HIS 10 - HA ARG 49 lone 4 96 - 4 - Peak 1248 from aliabs.peaks (4.27, 1.74, 30.11 ppm; 3.74 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.0=100 HA2 GLY 50 - HB2 ARG 49 OK 43 68 - 64 - 3.6/8220=13, 2.9/6474=12...(17) HA3 GLY 78 - HB2 ARG 49 OK 42 77 - 54 - 1.8/1254=8, 1257/1.8=6...(20) HA SER 138 - HB2 ARG 49 OK 18 100 - 18 - 1257/1.8=3, 2.9/9698=2...(6) HA LEU 95 - HB2 ARG 49 OK 15 94 - 16 - 1257/1.8=2, 1266/3.0=1...(7) HA ALA 135 - HB2 ARG 49 OK 13 96 - 13 - 1257/1.8=2, 1293/3.7=2...(5) HB THR 99 - HB2 ARG 49 lone 9 100 - 9 - 1257/1.8=2 Peak 1249 from aliabs.peaks (1.74, 1.74, 30.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 49 + HB2 ARG 49 OK 100 100 - 100 Peak 1250 from aliabs.peaks (1.36, 1.74, 30.11 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 1.8=100 HD3 LYS 76 + HB2 ARG 49 OK 52 99 - 53 - ~2302=7, 1241/3.0=7...(19) HB3 LEU 39 - HB2 ARG 49 OK 24 77 - 31 - 1295/3.7=3, 1268/3.0=3...(15) HG LEU 132 - HB2 ARG 49 OK 19 72 - 26 - 1277/3.0=2, 1268/3.0=2...(17) Peak 1251 from aliabs.peaks (1.40, 1.74, 30.11 ppm; 3.40 A): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.0=100 HB2 ARG 35 - HB2 ARG 49 OK 38 89 - 43 - 2.9/10467=6, ~10468=5...(18) HG2 LYS 36 - HB2 ARG 49 OK 37 96 - 38 - 1260/1.8=4, 689=3...(18) HG2 LYS 86 - HB2 ARG 49 OK 36 96 - 37 - 1260/1.8=5, 1278/3.0=3...(19) HB2 ARG 109 - HB2 ARG 49 OK 20 94 - 21 - 1260/1.8=3, 11119/5.1=3...(8) HB VAL 82 - HB2 ARG 49 OK 19 98 - 20 - 2.1/11010=4, 1260/1.8=2...(8) HG LEU 116 - HB2 ARG 49 OK 19 94 - 20 - 2.1/10691=4, 1260/1.8=2...(11) HB2 LEU 69 - HB2 ARG 49 OK 13 72 - 17 - 1260/1.8=3, 1242/3.0=2...(8) Peak 1252 from aliabs.peaks (1.61, 1.74, 30.11 ppm; 3.10 A): 1 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 - HB2 ARG 49 OK 43 100 - 44 - 4913=5, 1261/1.8=4...(20) HG2 ARG 144 - HB2 ARG 49 OK 31 77 - 41 - 1.8/4913=4, 1261/1.8=3...(18) HG LEU 108 - HB2 ARG 49 OK 27 94 - 29 - 1277/1.8=3, 1276=3...(13) HB2 LEU 97 - HB2 ARG 49 OK 26 89 - 30 - ~11586=5, ~11585=4...(9) HG3 LYS 48 - HB2 ARG 49 OK 21 100 - 21 - 1193/3.7=5, 1243/3.0=3...(7) HB2 LEU 87 - HB2 ARG 49 OK 14 96 - 14 - 3.2/10061=2, 1261/1.8=2...(4) HB3 LEU 64 - HB2 ARG 49 poor 8 68 - 12 - ~10625=1, 1261/1.8=1 HG2 ARG 141 - HB2 ARG 49 lone 7 92 - 8 - 4.9/7837=1 HD2 LYS 24 - HB2 ARG 49 lone 4 68 - 6 - 11345/3.7=2 HG3 LYS 34 - HB2 ARG 49 lone 3 68 - 4 - Peak 1253 from aliabs.peaks (2.08, 1.74, 30.11 ppm; 3.91 A): 1 out of 9 assignments used, quality = 1.00: * HD2 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 PRO 129 - HB2 ARG 49 OK 40 98 - 41 - 3.0/9824=8, 1262/1.8=6...(12) HA ARG 35 - HB2 ARG 49 OK 28 77 - 36 - 3.9/10467=7, 3.0/1251=4...(14) HB3 LYS 61 - HB2 ARG 49 OK 15 100 - 15 - ~10527=4, 1262/1.8=3...(6) HB2 LEU 26 - HB2 ARG 49 OK 13 100 - 13 - 1262/1.8=2, 1298/3.7=2...(5) HG3 PRO 33 - HB2 ARG 49 lone 9 96 - 9 - 1262/1.8=1, 1298/3.7=1 HG2 GLU 122 - HB2 ARG 49 poor 8 81 - 10 - 1298/3.7=3, 1280/3.0=2...(4) HB2 GLU 131 - HB2 ARG 49 lone 6 99 - 6 - HB3 GLU 142 - HB2 ARG 49 lone 2 68 - 3 - Peak 1254 from aliabs.peaks (3.08, 1.74, 30.11 ppm; 4.19 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HB2 ARG 49 OK 100 100 - 100 - 3.7=100 HA2 GLY 78 + HB2 ARG 49 OK 58 100 - 59 - 1263/1.8=9, 1.8/1248=8...(16) HE2 LYS 86 - HB2 ARG 49 OK 33 68 - 49 - 1263/1.8=5, 3.9/1251=5...(23) HE3 LYS 86 - HB2 ARG 49 OK 30 62 - 48 - 3.9/1251=5, 1263/1.8=5...(23) HB3 TRP 88 - HB2 ARG 49 OK 19 98 - 20 - 1290/3.7=3, 2843/5.1=3...(7) HB3 ASP 30 - HB2 ARG 49 lone 6 94 - 6 - 1263/1.8=1 HB3 HIS 10 - HB2 ARG 49 lone 3 96 - 3 - Peak 1257 from aliabs.peaks (4.27, 1.36, 30.11 ppm; 4.04 A): 3 out of 7 assignments used, quality = 1.00: * HA ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 + HB3 ARG 49 OK 49 77 - 63 - 1257=9, 1.8/1263=8...(21) HA2 GLY 50 + HB3 ARG 49 OK 46 68 - 68 - 2.9/6475=19, ~6474=9...(18) HA SER 138 - HB3 ARG 49 OK 22 100 - 22 - 1248/1.8=3, 9718/3.0=3...(7) HA LEU 95 - HB3 ARG 49 OK 20 94 - 21 - 1257=3, 1248/1.8=3...(9) HA ALA 135 - HB3 ARG 49 OK 20 96 - 20 - 3.6/10464=4, 1257=2...(7) HB THR 99 - HB3 ARG 49 OK 14 100 - 14 - 1257=2, 1248/1.8=2...(4) Peak 1258 from aliabs.peaks (1.74, 1.36, 30.11 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 1.8=100 HB3 ARG 144 - HB3 ARG 49 OK 44 81 - 54 - 1258=7, 1276/3.0=4...(30) HB2 GLU 81 - HB3 ARG 49 OK 42 100 - 42 - 1258=6, 4.0/8777=6...(18) HG3 ARG 140 - HB3 ARG 49 OK 40 100 - 40 - 1258=6, 4742/3.0=5...(17) HD2 LYS 36 - HB3 ARG 49 OK 36 89 - 40 - 1258=5, 2.9/1260=4...(19) HB ILE 58 - HB3 ARG 49 OK 27 89 - 31 - 3.0/10418=9, 3.2/10417=4...(13) HB3 GLU 81 - HB3 ARG 49 OK 27 68 - 39 - 4.0/8777=6, 1.8/1258=5...(18) Peak 1259 from aliabs.peaks (1.36, 1.36, 30.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 49 + HB3 ARG 49 OK 100 100 - 100 Peak 1260 from aliabs.peaks (1.40, 1.36, 30.11 ppm; 3.29 A): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 - HB3 ARG 49 OK 37 96 - 39 - 1260=6, 1251/1.8=5...(20) HB2 ARG 35 - HB3 ARG 49 OK 35 89 - 40 - 2.9/10468=6, 1251/1.8=5...(17) HG2 LYS 36 - HB3 ARG 49 OK 33 96 - 34 - 1251/1.8=4, 3.8/8196=4...(14) HB2 ARG 109 - HB3 ARG 49 OK 21 94 - 22 - 1260=4, 1251/1.8=3...(9) HB VAL 82 - HB3 ARG 49 OK 18 98 - 19 - ~11010=2, 1251/1.8=2...(8) HG LEU 116 - HB3 ARG 49 OK 18 94 - 19 - 1268=3, ~10691=3...(9) HB2 LEU 69 - HB3 ARG 49 OK 14 72 - 19 - 1260=3, 1251/1.8=2...(9) Peak 1261 from aliabs.peaks (1.61, 1.36, 30.11 ppm; 4.12 A): 4 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HB3 ARG 49 OK 69 100 - 69 - 1261=8, 1252/1.8=7...(39) HB2 LEU 97 + HB3 ARG 49 OK 55 89 - 63 - 3.1/11586=15...(22) HG2 ARG 144 + HB3 ARG 49 OK 53 77 - 69 - 1.8/1261=7, 1261=6...(37) HG LEU 108 - HB3 ARG 49 OK 44 94 - 46 - 1277=5, 1252/1.8=5...(23) HG3 LYS 48 - HB3 ARG 49 OK 35 100 - 35 - 4.9/6465=11, 1243/3.0=5...(9) HB2 LEU 87 - HB3 ARG 49 OK 28 96 - 29 - 1261=3, 1252/1.8=3...(13) HB3 LEU 64 - HB3 ARG 49 OK 17 68 - 25 - 1261=2, 3.1/10625=2...(9) HG2 ARG 141 - HB3 ARG 49 OK 13 92 - 14 - 1261=1, 1252/1.8=1...(4) HD2 LYS 24 - HB3 ARG 49 poor 8 68 - 12 - 11345/3.7=5 HG3 LYS 34 - HB3 ARG 49 poor 7 68 - 11 - 9134/8196=1, 11174/8777=1 Peak 1262 from aliabs.peaks (2.08, 1.36, 30.11 ppm; 4.50 A): 2 out of 9 assignments used, quality = 1.00: * HD2 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 PRO 129 + HB3 ARG 49 OK 52 98 - 53 - 1253/1.8=8, ~9824=8...(13) HA ARG 35 - HB3 ARG 49 OK 37 77 - 49 - 3.9/10468=12, 4.9/8196=6...(15) HB3 LYS 61 - HB3 ARG 49 OK 27 100 - 27 - 3.0/10527=7, 3.8/6563=4...(9) HB2 LEU 26 - HB3 ARG 49 OK 19 100 - 19 - 1262=3, 1253/1.8=3...(7) HG2 GLU 122 - HB3 ARG 49 OK 13 81 - 16 - 1298/3.7=4, 1280/3.0=3...(6) HG3 PRO 33 - HB3 ARG 49 OK 11 96 - 11 - 1253/1.8=2, 1298/3.7=1...(6) HB2 GLU 131 - HB3 ARG 49 lone 9 99 - 9 - 1253/1.8=1, 1244/3.0=1 HB3 GLU 142 - HB3 ARG 49 lone 2 68 - 3 - Peak 1263 from aliabs.peaks (3.08, 1.36, 30.11 ppm; 4.34 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HB3 ARG 49 OK 100 100 - 100 - 3.7=100 HA2 GLY 78 + HB3 ARG 49 OK 64 100 - 65 - 1254/1.8=10, 1263=9...(17) HE2 LYS 86 - HB3 ARG 49 OK 38 68 - 56 - 1263=6, 3.9/1260=5...(25) HE3 LYS 86 - HB3 ARG 49 OK 35 62 - 56 - 3.9/1260=5, 1263=5...(25) HB3 TRP 88 - HB3 ARG 49 OK 22 98 - 22 - 1290/3.7=4, 2843/5.1=3...(9) HB3 ASP 30 - HB3 ARG 49 lone 7 94 - 8 - 1254/1.8=1, 1263=1 HB3 HIS 10 - HB3 ARG 49 lone 4 96 - 4 - Peak 1266 from aliabs.peaks (4.27, 1.40, 26.78 ppm; 4.24 A): 2 out of 14 assignments used, quality = 1.00: * HA ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.9=100 HA3 GLY 78 + HG2 ARG 49 OK 48 77 - 62 - 1.8/1272=8, 1275/1.8=8...(18) HA2 GLY 50 - HG2 ARG 49 OK 37 68 - 54 - 2.9/6476=15, ~6475=10...(11) HA SER 138 - HG2 ARG 49 OK 18 100 - 18 - 9718/1.8=4, 1248/3.0=3...(6) HA ALA 135 - HG2 ARG 49 OK 17 96 - 17 - ~10325=5, 1293/3.0=3...(6) HA LEU 95 - HG2 ARG 49 OK 16 94 - 17 - 1257/3.0=2, 1248/3.0=2...(6) HA ALA 135 - HG LEU 116 OK 15 71 - 21 - ~10964=9, ~11611=7...(4) HA ARG 49 - HG LEU 116 OK 15 78 - 19 - ~10691=3, 1242=3...(8) HB THR 99 - HG2 ARG 49 lone 9 100 - 9 - 1257/3.0=2, 1275/1.8=1...(5) HA SER 138 - HG LEU 116 lone 6 78 - 8 - ~9701=3 HA LEU 95 - HG LEU 116 lone 4 69 - 6 - 10038/10005=1 HA2 GLY 50 - HG LEU 116 lone 1 45 - 3 - HA3 GLY 78 - HG LEU 116 lone 1 53 - 3 - HB THR 99 - HG LEU 116 lone 1 78 - 1 - Peak 1267 from aliabs.peaks (1.74, 1.40, 26.78 ppm; 3.54 A): 1 out of 14 assignments used, quality = 1.00: * HB2 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HD2 LYS 36 - HG2 ARG 49 OK 41 89 - 46 - 5.3/8195=10, 1.8/720=5...(22) HB3 ARG 144 - HG2 ARG 49 OK 40 81 - 49 - 1276/1.8=5, 1258/3.0=4...(28) HB2 GLU 81 - HG2 ARG 49 OK 39 100 - 39 - 1276/1.8=5, 1258/3.0=4...(18) HG3 ARG 140 - HG2 ARG 49 OK 29 100 - 29 - 1276/1.8=4, 1258/3.0=4...(11) HB ILE 58 - HG2 ARG 49 OK 25 89 - 29 - ~10418=6, ~9863=3...(12) HB3 GLU 81 - HG2 ARG 49 OK 25 68 - 37 - ~10983=3, ~1276=3...(17) HD2 LYS 36 - HG LEU 116 OK 24 63 - 38 - 10691/2.1=6, 1.8/720=4...(18) HG3 ARG 140 - HG LEU 116 OK 22 78 - 28 - 10691/2.1=6, ~11091=6...(10) HB2 ARG 49 - HG LEU 116 OK 18 78 - 23 - 10691/2.1=4, 1251=3...(12) HB2 GLU 81 - HG LEU 116 lone 6 77 - 8 - 10691/2.1=2 HB ILE 58 - HG LEU 116 lone 4 63 - 6 - ~9391=2, 3.2/11029=1 HB3 ARG 144 - HG LEU 116 lone 4 57 - 6 - HB3 GLU 81 - HG LEU 116 lone 3 45 - 7 - ~10691=2 Peak 1268 from aliabs.peaks (1.36, 1.40, 26.78 ppm; 3.00 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 - HG2 ARG 49 OK 36 99 - 36 - 1277/1.8=6, 1250/3.0=6...(13) HB3 LEU 39 - HG LEU 116 OK 23 53 - 44 - 1.8/3883=6, 839/2.1=4...(24) HB3 LEU 39 - HG2 ARG 49 OK 22 77 - 29 - 1277/1.8=3, 1295/3.0=3...(12) HG LEU 132 - HG2 ARG 49 OK 17 72 - 24 - 2.1/4506=3, 1277/1.8=3...(9) HB3 ARG 49 - HG LEU 116 OK 12 78 - 15 - 1260=2, ~10691=2...(6) HD3 LYS 76 - HG LEU 116 lone 4 75 - 5 - ~10296=1 HG LEU 132 - HG LEU 116 lone 4 49 - 8 - ~9393=4, ~9393=2 Peak 1269 from aliabs.peaks (1.40, 1.40, 26.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 49 + HG2 ARG 49 OK 100 100 - 100 HG LEU 116 + HG LEU 116 OK 69 69 - 100 Peak 1270 from aliabs.peaks (1.61, 1.40, 26.78 ppm; 3.33 A): 2 out of 22 assignments used, quality = 1.00: * HG3 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 1.8=100 HG3 ARG 144 + HG2 ARG 49 OK 48 100 - 48 - 4913/3.0=4, 1261/3.0=3...(30) HG2 ARG 144 - HG2 ARG 49 OK 37 77 - 48 - 1252/3.0=3, 1261/3.0=3...(29) HG LEU 108 - HG2 ARG 49 OK 35 94 - 37 - ~3498=4, 1278=4, ~3505=3...(22) HB2 LEU 97 - HG2 ARG 49 OK 34 89 - 39 - 4.8/8195=9, 4.0/11422=5...(17) HG3 LYS 48 - HG2 ARG 49 OK 25 100 - 25 - 4.9/1265=6, 1243/3.9=3...(8) HB2 LEU 87 - HG2 ARG 49 OK 23 96 - 24 - 4.0/6994=3, 4.6/11674=3...(9) HG3 ARG 49 - HG LEU 116 OK 16 78 - 20 - 1278=2, ~10691=2...(11) HB3 LEU 64 - HG2 ARG 49 OK 12 68 - 18 - ~9881=1, ~1819=1...(6) HG3 LYS 48 - HG LEU 116 poor 8 78 - 11 - ~10690=1, ~9378=1...(5) HG2 ARG 141 - HG2 ARG 49 lone 7 92 - 7 - HB3 LEU 64 - HG LEU 116 poor 6 45 - 13 - ~11015=6, ~10624=5 HG3 LYS 34 - HG2 ARG 49 lone 5 68 - 8 - 9134/8195=1 HG LEU 108 - HG LEU 116 lone 5 69 - 7 - ~10175=4 HD2 LYS 24 - HG2 ARG 49 lone 5 68 - 7 - 11345/5.0=2 HG3 ARG 144 - HG LEU 116 lone 3 77 - 4 - HB2 LEU 87 - HG LEU 116 lone 2 71 - 3 - HG2 ARG 144 - HG LEU 116 lone 2 53 - 4 - HB2 LEU 97 - HG LEU 116 lone 2 63 - 3 - 4.8/8195=1 HD2 LYS 24 - HG LEU 116 lone 2 45 - 4 - HG2 ARG 141 - HG LEU 116 lone 2 66 - 2 - HG3 LYS 34 - HG LEU 116 lone 1 45 - 2 - Peak 1271 from aliabs.peaks (2.08, 1.40, 26.78 ppm; 4.17 A): 2 out of 18 assignments used, quality = 1.00: * HD2 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HG2 ARG 49 OK 55 98 - 57 - 1298/3.0=7, 1253/3.0=6...(25) HA ARG 35 - HG2 ARG 49 OK 41 77 - 53 - 4.9/8195=16, 3.0/604=5...(21) HG2 GLU 122 - HG2 ARG 49 OK 26 81 - 32 - ~4064=5, ~4072=5...(15) HB2 LEU 26 - HG2 ARG 49 OK 23 100 - 23 - 1298/3.0=3, 1280/1.8=2...(7) HB3 LYS 61 - HG2 ARG 49 OK 23 100 - 22 - ~10527=3, 1262/3.0=3...(10) HD2 ARG 49 - HG LEU 116 OK 20 78 - 26 - 1287=3, 1.8/1296=3...(13) HA ARG 35 - HG LEU 116 OK 20 53 - 39 - 3.0/604=5, 3.9/613=3...(16) HB2 LEU 26 - HG LEU 116 OK 18 78 - 23 - ~10870=10, ~10231=4...(6) HG3 PRO 33 - HG2 ARG 49 OK 13 96 - 14 - 650/8195=2, 1298/3.0=1...(7) HB2 GLU 131 - HG2 ARG 49 lone 9 99 - 9 - 4.6/7668=2, 11687/3.9=1 HB2 PRO 129 - HG LEU 116 poor 9 73 - 12 - ~9395=2, ~10293=2...(5) HG3 PRO 33 - HG LEU 116 lone 3 71 - 4 - HB3 GLU 142 - HG2 ARG 49 lone 2 68 - 3 - HB3 LYS 61 - HG LEU 116 lone 1 77 - 2 - HB2 GLU 131 - HG LEU 116 lone 1 75 - 1 - HG2 GLU 122 - HG LEU 116 lone 1 57 - 2 - HB3 GLU 142 - HG LEU 116 lone 0 45 - 1 - Peak 1272 from aliabs.peaks (3.08, 1.40, 26.78 ppm; 4.08 A): 2 out of 14 assignments used, quality = 1.00: * HD3 ARG 49 + HG2 ARG 49 OK 100 100 - 100 - 3.0=100 HA2 GLY 78 + HG2 ARG 49 OK 65 100 - 66 - 1281/1.8=8, 1290/3.0=7...(21) HE2 LYS 86 - HG2 ARG 49 OK 39 68 - 59 - 3.0/2740=8, 3.0/2729=8...(23) HE3 LYS 86 - HG2 ARG 49 OK 36 62 - 58 - 3.0/2740=8, 3.0/2729=8...(22) HB3 TRP 88 - HG2 ARG 49 OK 31 98 - 31 - 4.0/11674=5, 2843/3.9=4...(12) HD3 ARG 49 - HG LEU 116 OK 21 78 - 26 - 1296=3, 1.8/1287=3...(12) HB3 ASP 30 - HG2 ARG 49 lone 8 94 - 8 - HB3 TRP 88 - HG LEU 116 lone 5 73 - 6 - 5.3/10066=2, ~8929=1 HB3 HIS 10 - HG2 ARG 49 lone 4 96 - 4 - HA2 GLY 78 - HG LEU 116 lone 3 78 - 4 - 8705/8596=1 HB3 ASP 30 - HG LEU 116 lone 3 69 - 4 - 4.4/3885=2 HE2 LYS 86 - HG LEU 116 lone 3 45 - 6 - HE3 LYS 86 - HG LEU 116 lone 3 42 - 6 - HB3 HIS 10 - HG LEU 116 lone 1 71 - 1 - Peak 1275 from aliabs.peaks (4.27, 1.61, 26.78 ppm; 3.39 A): 3 out of 14 assignments used, quality = 0.95: * HA ARG 49 + HG3 ARG 49 OK 90 100 - 90 - 3.9=66, 1242/1.8=17...(19) HA3 GLY 78 + HG3 ARG 49 OK 34 77 - 44 - 1.8/1281=6, 1248/3.0=4...(17) HA2 GLY 50 + HG3 ARG 49 OK 29 68 - 43 - 3.6/8221=6, ~6476=6...(13) HA SER 138 - HG3 ARG 49 OK 12 100 - 12 - 9718=2, 1248/3.0=2...(6) HA ARG 49 - HG LEU 108 OK 11 68 - 17 - 3.0/1277=3, 3.0/1252=3...(8) HA ALA 135 - HG3 ARG 49 OK 10 96 - 11 - ~10325=3, 1293/3.0=2...(6) HA LEU 95 - HG3 ARG 49 lone 8 94 - 8 - 1257/3.0=2, 1248/3.0=1...(4) HB THR 99 - HG3 ARG 49 lone 6 100 - 6 - 1257/3.0=1 HA SER 138 - HG LEU 108 lone 3 68 - 4 - HA LEU 95 - HG LEU 108 lone 1 59 - 2 - ~9057=1 HA ALA 135 - HG LEU 108 lone 1 62 - 2 - HA3 GLY 78 - HG LEU 108 lone 1 45 - 2 - HA2 GLY 50 - HG LEU 108 lone 1 38 - 2 - HB THR 99 - HG LEU 108 lone 1 68 - 1 - Peak 1276 from aliabs.peaks (1.74, 1.61, 26.78 ppm; 2.50 A): 8 out of 14 assignments used, quality = 0.90: * HB2 ARG 49 + HG3 ARG 49 OK 71 100 - 71 - 3.0=59, ~1268=8...(10) HB3 ARG 144 + HG3 ARG 49 OK 20 81 - 24 - 4897=3, 1.8/4888=3...(8) HB2 GLU 81 + HG3 ARG 49 OK 17 100 - 17 - 1258/3.0=2, 1267/1.8=2...(5) HD2 LYS 36 + HG3 ARG 49 OK 14 89 - 16 - 1267/1.8=2, ~720=2...(5) HG3 ARG 140 + HG3 ARG 49 OK 13 100 - 13 - 1258/3.0=2, 4742/3.9=2 HB2 ARG 49 + HG LEU 108 OK 11 68 - 17 - 1252=2, 1.8/1277=2...(5) HB ILE 58 + HG3 ARG 49 OK 11 89 - 13 - ~10418=2, 2.1/9863=2...(4) HB3 GLU 81 + HG3 ARG 49 OK 11 68 - 16 - ~10983=1, ~1267=1...(5) HB3 ARG 144 - HG LEU 108 lone 2 48 - 4 - HB ILE 58 - HG LEU 108 lone 2 54 - 3 - HB2 GLU 81 - HG LEU 108 lone 1 67 - 2 - HD2 LYS 36 - HG LEU 108 lone 1 54 - 1 - HG3 ARG 140 - HG LEU 108 lone 1 68 - 1 - HB3 GLU 81 - HG LEU 108 lone 1 38 - 2 - Peak 1277 from aliabs.peaks (1.36, 1.61, 26.78 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 + HG3 ARG 49 OK 46 99 - 47 - 1268/1.8=8, 1250/3.0=8...(17) HB3 LEU 39 - HG3 ARG 49 OK 28 77 - 36 - 1268/1.8=4, 1295/3.0=4...(18) HB3 ARG 49 - HG LEU 108 OK 23 68 - 34 - 1.8/1252=4, 1261=4...(18) HG LEU 132 - HG3 ARG 49 OK 22 72 - 30 - 1268/1.8=3, 1295/3.0=3...(15) HD3 LYS 76 - HG LEU 108 OK 15 65 - 23 - ~8660=8, ~11719=6...(4) HG LEU 132 - HG LEU 108 poor 7 42 - 17 - ~10174=10, ~9595=3...(4) HB3 LEU 39 - HG LEU 108 lone 3 45 - 6 - ~8112=2 Peak 1278 from aliabs.peaks (1.40, 1.61, 26.78 ppm; 3.28 A): 2 out of 16 assignments used, quality = 1.00: * HG2 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 1.8=100 HG2 LYS 86 + HG3 ARG 49 OK 47 96 - 49 - ~2718=4, ~2718=4...(19) HB2 ARG 35 - HG3 ARG 49 OK 38 89 - 42 - ~10468=4, 1251/3.0=3...(20) HB VAL 82 - HG LEU 108 OK 34 63 - 53 - ~8810=17, ~8798=12...(9) HG2 LYS 36 - HG3 ARG 49 OK 33 96 - 35 - 1251/3.0=3, ~698=3...(14) HG2 ARG 49 - HG LEU 108 OK 25 68 - 37 - 1270=4, ~3498=4, ~3505=3...(22) HB2 ARG 109 - HG3 ARG 49 OK 21 94 - 22 - 11119/3.9=3, 1296/3.0=2...(10) HG LEU 116 - HG3 ARG 49 OK 18 94 - 19 - 1270=2, ~10691=2...(11) HB VAL 82 - HG3 ARG 49 OK 17 98 - 18 - 1251/3.0=2, 1260/3.0=2...(10) HB2 LEU 69 - HG LEU 108 OK 16 42 - 38 - ~8477=11, ~8473=5...(15) HB2 LEU 69 - HG3 ARG 49 OK 13 72 - 17 - 1260/3.0=2, 1296/3.0=2...(6) HB2 ARG 109 - HG LEU 108 lone 6 59 - 10 - 4.0/3500=5, ~9271=4 HG LEU 116 - HG LEU 108 lone 4 59 - 6 - ~10175=4 HG2 LYS 36 - HG LEU 108 lone 2 62 - 3 - HB2 ARG 35 - HG LEU 108 lone 1 54 - 3 - HG2 LYS 86 - HG LEU 108 lone 1 62 - 2 - Peak 1279 from aliabs.peaks (1.61, 1.61, 26.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 49 + HG3 ARG 49 OK 100 100 - 100 HG LEU 108 + HG LEU 108 OK 59 59 - 100 Peak 1280 from aliabs.peaks (2.08, 1.61, 26.78 ppm; 4.19 A): 2 out of 18 assignments used, quality = 1.00: * HD2 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HG3 ARG 49 OK 56 98 - 58 - 3.0/9825=8, 1298/3.0=7...(24) HB2 LEU 26 - HG LEU 108 OK 36 68 - 53 - 248/3.0=7, ~256=6...(21) HD2 ARG 49 - HG LEU 108 OK 30 68 - 44 - 1288=6, 1.8/1297=5...(23) HA ARG 35 - HG3 ARG 49 OK 29 77 - 38 - 1271/1.8=4, 1253/3.0=4...(17) HG2 GLU 122 - HG3 ARG 49 OK 25 81 - 31 - ~4064=5, ~4072=5...(14) HB2 LEU 26 - HG3 ARG 49 OK 23 100 - 22 - 1298/3.0=3, 1271/1.8=2...(8) HB3 LYS 61 - HG3 ARG 49 OK 22 100 - 22 - ~10527=3, 1262/3.0=3...(10) HG3 PRO 33 - HG3 ARG 49 OK 11 96 - 11 - 1298/3.0=1, 1271/1.8=1...(6) HB2 GLU 131 - HG3 ARG 49 lone 8 99 - 8 - 11687/3.9=1 HB3 GLU 142 - HG LEU 108 poor 4 38 - 11 - ~9259=3, ~10170=2...(4) HB3 GLU 142 - HG3 ARG 49 lone 4 68 - 5 - 4.7/9753=2 HA ARG 35 - HG LEU 108 lone 4 45 - 8 - ~9915=4, ~10173=2 HB3 LYS 61 - HG LEU 108 lone 3 67 - 4 - 10291/3.0=1 HB2 PRO 129 - HG LEU 108 lone 2 63 - 3 - HB2 GLU 131 - HG LEU 108 lone 2 65 - 3 - HG2 GLU 122 - HG LEU 108 lone 1 48 - 3 - HG3 PRO 33 - HG LEU 108 lone 1 62 - 2 - Peak 1281 from aliabs.peaks (3.08, 1.61, 26.78 ppm; 3.88 A): 2 out of 14 assignments used, quality = 1.00: * HD3 ARG 49 + HG3 ARG 49 OK 100 100 - 100 - 3.0=100 HA2 GLY 78 + HG3 ARG 49 OK 61 100 - 61 - 1272/1.8=7, 1.8/1275=7...(21) HE2 LYS 86 - HG3 ARG 49 OK 35 68 - 52 - ~2740=4, 1272/1.8=4...(22) HE3 LYS 86 - HG3 ARG 49 OK 32 62 - 52 - ~2740=4, ~2729=4...(22) HD3 ARG 49 - HG LEU 108 OK 27 68 - 39 - 1297=6, 1.8/1288=4...(22) HB3 TRP 88 - HG3 ARG 49 OK 25 98 - 25 - 1290/3.0=3, 2843/3.9=3...(11) HB3 TRP 88 - HG LEU 108 OK 21 63 - 34 - ~10069=15, ~9266=6...(7) HB3 ASP 30 - HG3 ARG 49 lone 7 94 - 7 - HB3 HIS 10 - HG3 ARG 49 lone 3 96 - 3 - HA2 GLY 78 - HG LEU 108 lone 3 68 - 4 - HB3 HIS 10 - HG LEU 108 lone 2 62 - 3 - 9260/2.1=1 HE2 LYS 86 - HG LEU 108 lone 1 38 - 2 - HE3 LYS 86 - HG LEU 108 lone 1 35 - 2 - HB3 ASP 30 - HG LEU 108 lone 0 59 - 1 - Peak 1284 from aliabs.peaks (4.27, 2.08, 44.13 ppm; 5.41 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 5.2=100 HA3 GLY 78 + HD2 ARG 49 OK 52 77 - 67 - 1.8/1290=11, 2352/1.8=11...(14) HA2 GLY 50 - HD2 ARG 49 OK 34 68 - 50 - ~6476=12, ~1273=10...(9) HA ALA 135 - HD2 ARG 49 OK 24 96 - 25 - ~10325=10, 1293/1.8=5...(6) HA SER 138 - HD2 ARG 49 OK 21 100 - 21 - 9718/3.0=5, 1293/1.8=4...(5) HA LEU 95 - HD2 ARG 49 OK 16 94 - 17 - 1293/1.8=3, 1257/3.7=3...(6) HB THR 99 - HD2 ARG 49 OK 12 100 - 12 - 1257/3.7=2, 1293/1.8=2...(5) Peak 1285 from aliabs.peaks (1.74, 2.08, 44.13 ppm; 4.79 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 GLU 81 + HD2 ARG 49 OK 45 100 - 45 - ~10983=9, 1294/1.8=7...(15) HB3 ARG 144 - HD2 ARG 49 OK 42 81 - 52 - 1294/1.8=6, 3.0/1288=5...(20) HD2 LYS 36 - HD2 ARG 49 OK 40 89 - 45 - 5.6/9826=10, 1294/1.8=5...(15) HG3 ARG 140 - HD2 ARG 49 OK 30 100 - 30 - 1258/3.7=5, 1294/1.8=4...(9) HB3 GLU 81 - HD2 ARG 49 OK 29 68 - 43 - ~10983=9, ~1294=5...(14) HB ILE 58 - HD2 ARG 49 OK 24 89 - 27 - ~9863=4, 2.1/8275=4...(9) Peak 1286 from aliabs.peaks (1.36, 2.08, 44.13 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.7=100 HD3 LYS 76 - HD2 ARG 49 OK 35 99 - 35 - 1295/1.8=8, 1250/3.7=8...(7) HB3 LEU 39 - HD2 ARG 49 OK 28 77 - 36 - 1295/1.8=6, ~10661=5...(15) HG LEU 132 - HD2 ARG 49 OK 21 72 - 29 - 1295/1.8=5, 1277/3.0=3...(13) Peak 1287 from aliabs.peaks (1.40, 2.08, 44.13 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 + HD2 ARG 49 OK 55 96 - 57 - 1296/1.8=5, 1278/3.0=4...(37) HB2 ARG 35 - HD2 ARG 49 OK 41 89 - 46 - 4.3/9826=7, 1296/1.8=5...(21) HG2 LYS 36 - HD2 ARG 49 OK 38 96 - 39 - 4.6/9826=7, 1296/1.8=4...(17) HB2 ARG 109 - HD2 ARG 49 OK 25 94 - 27 - ~11120=5, 11119/2.9=4...(10) HG LEU 116 - HD2 ARG 49 OK 21 94 - 22 - 1296/1.8=3, 1271=2...(11) HB VAL 82 - HD2 ARG 49 OK 19 98 - 19 - ~11597=4, 1296/1.8=3...(7) HB2 LEU 69 - HD2 ARG 49 OK 17 72 - 24 - 1296/1.8=3, 1260/3.7=2...(11) Peak 1288 from aliabs.peaks (1.61, 2.08, 44.13 ppm; 4.15 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HD2 ARG 49 OK 50 100 - 50 - 1297/1.8=6, 1252/3.7=5...(25) HG LEU 108 - HD2 ARG 49 OK 40 94 - 43 - 1297/1.8=5, 1280=4...(23) HG2 ARG 144 - HD2 ARG 49 OK 37 77 - 48 - 1297/1.8=4, ~1297=4...(24) HB2 LEU 97 - HD2 ARG 49 OK 34 89 - 38 - 4.8/8193=12, 1261/3.7=4...(17) HG3 LYS 48 - HD2 ARG 49 OK 29 100 - 29 - 4.9/10664=9, 1297/1.8=3...(8) HB2 LEU 87 - HD2 ARG 49 OK 23 96 - 24 - 8368=4, 1297/1.8=3...(9) HB3 LEU 64 - HD2 ARG 49 OK 15 68 - 23 - ~9881=3, 8368=3...(8) HG2 ARG 141 - HD2 ARG 49 lone 8 92 - 8 - HG3 LYS 34 - HD2 ARG 49 poor 7 68 - 10 - 9134/8193=2 HD2 LYS 24 - HD2 ARG 49 lone 6 68 - 9 - 11345/6.4=3, 3.0/11373=1 Peak 1289 from aliabs.peaks (2.08, 2.08, 44.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 49 + HD2 ARG 49 OK 100 100 - 100 Peak 1290 from aliabs.peaks (3.08, 2.08, 44.13 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 49 + HD2 ARG 49 OK 100 100 - 100 - 1.8=100 HA2 GLY 78 + HD2 ARG 49 OK 52 100 - 52 - ~2352=6, ~2352=6...(18) HB3 TRP 88 - HD2 ARG 49 OK 27 98 - 28 - ~2832=4, 2843/2.9=4...(12) HE2 LYS 86 - HD2 ARG 49 OK 26 68 - 39 - 3.9/1287=4, 1272/3.0=3...(20) HE3 LYS 86 - HD2 ARG 49 OK 24 62 - 38 - 3.9/1287=4, 1272/3.0=3...(20) HB3 ASP 30 - HD2 ARG 49 lone 6 94 - 6 - HB3 HIS 10 - HD2 ARG 49 lone 4 96 - 4 - Peak 1293 from aliabs.peaks (4.27, 3.08, 44.13 ppm; 4.98 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 49 + HD3 ARG 49 OK 99 100 - 99 - 5.2=90, 1242/3.0=22...(18) HA3 GLY 78 + HD3 ARG 49 OK 55 77 - 72 - 3.0/6839=11, 2352=11...(17) HA2 GLY 50 - HD3 ARG 49 OK 32 68 - 47 - ~6476=10, ~1273=9...(10) HA ALA 135 - HD3 ARG 49 OK 28 96 - 29 - 2.1/10325=12...(7) HA SER 138 - HD3 ARG 49 OK 21 100 - 21 - 9718/3.0=4, 1257/3.7=3...(6) HA LEU 95 - HD3 ARG 49 OK 19 94 - 20 - 1257/3.7=3, 9061/10012=2...(7) HB THR 99 - HD3 ARG 49 OK 12 100 - 12 - 1257/3.7=2, 1284/1.8=2...(5) Peak 1294 from aliabs.peaks (1.74, 3.08, 44.13 ppm; 4.30 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.7=100 HB2 GLU 81 - HD3 ARG 49 OK 42 100 - 42 - 3.0/10983=11, 1285/1.8=5...(14) HB3 ARG 144 - HD3 ARG 49 OK 37 81 - 46 - 1276/3.0=5, 3.0/1297=5...(20) HD2 LYS 36 - HD3 ARG 49 OK 33 89 - 37 - 5.6/10667=4, 1285/1.8=4...(14) HG3 ARG 140 - HD3 ARG 49 OK 28 100 - 28 - 1258/3.7=4, 1276/3.0=3...(9) HB3 GLU 81 - HD3 ARG 49 OK 27 68 - 40 - 3.0/10983=11, ~1285=4...(14) HB ILE 58 - HD3 ARG 49 OK 20 89 - 22 - ~9863=3, 1276/3.0=3...(8) Peak 1295 from aliabs.peaks (1.36, 3.08, 44.13 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.7=100 HD3 LYS 76 - HD3 ARG 49 OK 34 99 - 35 - 1250/3.7=8, 1286/1.8=7...(7) HB3 LEU 39 - HD3 ARG 49 OK 29 77 - 38 - 1.8/10661=6, 1286/1.8=5...(16) HG LEU 132 - HD3 ARG 49 OK 22 72 - 30 - 1286/1.8=4, 3.0/11511=3...(15) Peak 1296 from aliabs.peaks (1.40, 3.08, 44.13 ppm; 3.71 A): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 - HD3 ARG 49 OK 42 96 - 43 - 1287/1.8=6, 1278/3.0=4...(18) HB2 ARG 35 - HD3 ARG 49 OK 40 89 - 45 - 2.9/10661=6, 1287/1.8=5...(22) HG2 LYS 36 - HD3 ARG 49 OK 34 96 - 36 - 1287/1.8=4, 4.6/10667=4...(17) HB2 ARG 109 - HD3 ARG 49 OK 25 94 - 27 - ~11120=4, 11119/2.9=4...(10) HG LEU 116 - HD3 ARG 49 OK 21 94 - 22 - 1272=2, 1287/1.8=2...(11) HB VAL 82 - HD3 ARG 49 OK 20 98 - 20 - ~11597=4, 1287/1.8=2...(7) HB2 LEU 69 - HD3 ARG 49 OK 17 72 - 23 - 1287/1.8=3, 1260/3.7=2...(7) Peak 1297 from aliabs.peaks (1.61, 3.08, 44.13 ppm; 3.85 A): 1 out of 11 assignments used, quality = 1.00: * HG3 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 - HD3 ARG 49 OK 45 100 - 45 - 1288/1.8=5, 1252/3.7=4...(23) HG LEU 108 - HD3 ARG 49 OK 36 94 - 38 - 1281=4, 1288/1.8=4...(20) HG2 ARG 144 - HD3 ARG 49 OK 32 77 - 42 - 1288/1.8=4, ~1288=3...(22) HB2 LEU 97 - HD3 ARG 49 OK 26 89 - 30 - 4.8/8194=5, 1288/1.8=3...(12) HG3 LYS 48 - HD3 ARG 49 OK 25 100 - 25 - 4.9/10668=7, 1288/1.8=3...(9) HB2 LEU 87 - HD3 ARG 49 OK 19 96 - 20 - 8368/1.8=3, 1270/3.0=2...(8) HB3 LEU 64 - HD3 ARG 49 OK 13 68 - 19 - 3.2/9881=4, 8368/1.8=2...(6) HG3 LYS 34 - HD3 ARG 49 lone 6 68 - 9 - 9797/9829=2 HG2 ARG 141 - HD3 ARG 49 lone 6 92 - 7 - HD2 LYS 24 - HD3 ARG 49 lone 5 68 - 7 - 11345/6.4=2 Peak 1298 from aliabs.peaks (2.08, 3.08, 44.13 ppm; 3.53 A): 2 out of 9 assignments used, quality = 1.00: * HD2 ARG 49 + HD3 ARG 49 OK 100 100 - 100 - 1.8=100 HB2 PRO 129 + HD3 ARG 49 OK 47 98 - 48 - ~11684=7, 3.0/8194=5...(22) HA ARG 35 - HD3 ARG 49 OK 26 77 - 33 - 3.9/10661=5, 3.6/10667=4...(17) HG2 GLU 122 - HD3 ARG 49 OK 25 81 - 31 - 3.0/4064=6, 3.0/4072=6...(11) HB2 LEU 26 - HD3 ARG 49 OK 17 100 - 17 - ~253=1, 1271/3.0=1...(6) HB3 LYS 61 - HD3 ARG 49 OK 15 100 - 15 - 1262/3.7=2, 1253/3.7=1...(8) HG3 PRO 33 - HD3 ARG 49 poor 10 96 - 10 - 11687/2.9=1 HB2 GLU 131 - HD3 ARG 49 lone 6 99 - 6 - HB3 GLU 142 - HD3 ARG 49 lone 2 68 - 2 - Peak 1299 from aliabs.peaks (3.08, 3.08, 44.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 49 + HD3 ARG 49 OK 100 100 - 100 Peak 1302 from aliabs.peaks (4.25, 4.25, 44.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 50 + HA2 GLY 50 OK 100 100 - 100 Peak 1303 from aliabs.peaks (3.82, 4.25, 44.44 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 50 + HA2 GLY 50 OK 100 100 - 100 - 1.8=100 HA THR 110 - HA2 GLY 50 OK 14 98 - 15 - 6481/2.9=3, 6486/3.6=3...(7) HB2 SER 100 - HA2 GLY 50 lone 4 85 - 4 - 4.1/7176=1 Peak 1306 from aliabs.peaks (4.25, 3.82, 44.44 ppm; 3.34 A): 1 out of 8 assignments used, quality = 1.00: * HA2 GLY 50 + HA3 GLY 50 OK 100 100 - 100 - 1.8=100 HA ARG 49 - HA3 GLY 50 OK 30 68 - 45 - 6480/2.9=9, 6485/3.6=6...(13) HA GLU 142 - HA3 GLY 50 lone 8 98 - 8 - 10510/3.6=5 HB THR 99 - HA3 GLY 50 lone 6 68 - 9 - 2.1/10160=3, ~3302=1 HA ALA 135 - HA3 GLY 50 lone 4 92 - 4 - HB THR 92 - HA3 GLY 50 lone 3 100 - 3 - HA SER 138 - HA3 GLY 50 lone 2 68 - 2 - HA ARG 141 - HA3 GLY 50 lone 1 57 - 2 - Peak 1307 from aliabs.peaks (3.82, 3.82, 44.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 50 + HA3 GLY 50 OK 100 100 - 100 Peak 1310 from aliabs.peaks (4.72, 4.72, 56.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 51 + HA THR 51 OK 100 100 - 100 Peak 1311 from aliabs.peaks (4.36, 4.72, 56.39 ppm; 5.68 A): 3 out of 5 assignments used, quality = 1.00: * HB THR 51 + HA THR 51 OK 100 100 - 100 - 3.0=100 HA ASP 65 + HA THR 51 OK 57 99 - 58 - 8235/3.8=19, 8387/3.2=10...(13) HA ARG 144 + HA THR 51 OK 46 89 - 52 - 6488/2.9=10, ~4891=7...(12) HA3 GLY 77 - HA THR 51 OK 30 81 - 37 - 8235/3.8=8, ~8210=6...(10) HA TYR 70 - HA THR 51 OK 19 72 - 27 - ~11236=13, ~10646=5...(4) Peak 1312 from aliabs.peaks (0.97, 4.72, 56.39 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * QG2 THR 51 + HA THR 51 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 + HA THR 51 OK 50 89 - 56 - 8062/3.0=11, 6489/2.9=9...(15) HG3 ARG 35 - HA THR 51 OK 40 96 - 42 - 6489/2.9=6, 1316/3.0=6...(13) HB2 LEU 39 - HA THR 51 OK 34 81 - 42 - ~8222=13, ~8225=12...(10) QG2 VAL 63 - HA THR 51 OK 14 62 - 23 - 8233/3.8=5, 8232/3.8=5...(8) Peak 1314 from aliabs.peaks (4.72, 4.36, 69.71 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 51 + HB THR 51 OK 100 100 - 100 - 3.0=100 HA SER 127 - HB THR 51 OK 19 100 - 19 - 1318/2.1=5, 6487/4.0=2...(11) HA LEU 116 - HB THR 51 OK 17 99 - 17 - 1318/2.1=4, 6487/4.0=2...(9) Peak 1315 from aliabs.peaks (4.36, 4.36, 69.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 51 + HB THR 51 OK 100 100 - 100 Peak 1316 from aliabs.peaks (0.97, 4.36, 69.71 ppm; 2.89 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 51 + HB THR 51 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 - HB THR 51 OK 32 89 - 36 - 8062=7, 2.1/8059=5...(15) HG3 ARG 35 - HB THR 51 OK 20 96 - 21 - 1312/3.0=3, ~616=3...(12) HB2 LEU 39 - HB THR 51 OK 14 81 - 18 - ~8225=6, ~8225=3...(7) QG2 VAL 63 - HB THR 51 poor 8 62 - 13 - 2.1/9876=3, 10867=2...(6) Peak 1318 from aliabs.peaks (4.72, 0.97, 18.95 ppm; 3.03 A): 3 out of 3 assignments used, quality = 0.92: * HA THR 51 + QG2 THR 51 OK 90 100 - 90 - 3.2=84, 2.9/1317=18...(4) HA SER 127 + QG2 THR 51 OK 13 100 - 13 - 1314/2.1=3, 3.0/8213=2...(4) HA LEU 116 + QG2 THR 51 OK 11 99 - 12 - 1314/2.1=3, 6487/4.0=1...(7) Peak 1319 from aliabs.peaks (4.36, 0.97, 18.95 ppm; 2.62 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 51 + QG2 THR 51 OK 100 100 - 100 - 2.1=100 HA ASP 65 - QG2 THR 51 OK 19 99 - 19 - 8387=4, 8235/4.6=2...(9) HA ARG 144 - QG2 THR 51 OK 15 89 - 17 - 3.9/8226=2, 4882/4.0=2...(10) HA3 GLY 77 - QG2 THR 51 lone 8 81 - 10 - 1.8/8214=2, ~8210=1...(4) HA TYR 70 - QG2 THR 51 lone 2 72 - 3 - 2.9/10646=1 Peak 1320 from aliabs.peaks (0.97, 0.97, 18.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 51 + QG2 THR 51 OK 100 100 - 100 Peak 1321 from aliabs.peaks (4.72, 3.27, 50.40 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 51 + HD2 PRO 52 OK 100 100 - 100 - 3.8=100 HA LEU 116 - HD2 PRO 52 OK 15 99 - 15 - 1323/1.8=4, 2.9/9379=3...(5) HA SER 127 - HD2 PRO 52 OK 13 100 - 13 - 1323/1.8=4, 1314/4.8=3...(4) Peak 1323 from aliabs.peaks (4.72, 3.54, 50.40 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: * HA THR 51 + HD3 PRO 52 OK 99 100 - 99 - 3.8=94, 1322/1.8=28...(16) HA LEU 116 - HD3 PRO 52 OK 12 99 - 12 - 1321/1.8=3, ~9379=2...(5) HA SER 127 - HD3 PRO 52 OK 10 100 - 10 - 1321/1.8=3, 1314/4.8=2...(4) Peak 1325 from aliabs.peaks (4.10, 3.27, 50.40 ppm; 5.33 A): 3 out of 5 assignments used, quality = 1.00: * HA PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.6=100 HB THR 110 + HD2 PRO 52 OK 69 99 - 70 - 3.0/8231=16, ~10643=11...(13) HD3 PRO 33 + HD2 PRO 52 OK 63 89 - 71 - 1357/3.0=12, 1349/3.0=11...(25) HA THR 99 - HD2 PRO 52 OK 45 89 - 50 - 1349/3.0=8, 1357/3.0=8...(11) HD3 PRO 118 - HD2 PRO 52 OK 34 68 - 50 - 3.0/10640=10, ~10455=6...(20) Peak 1326 from aliabs.peaks (2.05, 3.27, 50.40 ppm; 4.22 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.0=100 HG3 PRO 98 + HD2 PRO 52 OK 92 100 - 93 - 1366/2.3=12, 1358/3.0=11...(52) HG2 PRO 98 + HD2 PRO 52 OK 83 89 - 93 - 1366/2.3=11, 1358/3.0=10...(53) HB3 GLN 62 - HD2 PRO 52 OK 40 94 - 42 - 1366/2.3=5, 1334/1.8=4...(20) HB2 PRO 33 - HD2 PRO 52 OK 38 62 - 61 - 1358/3.0=4, 3.0/1325=4...(31) Peak 1327 from aliabs.peaks (1.94, 3.27, 50.40 ppm; 3.79 A): 4 out of 13 assignments used, quality = 1.00: * HB3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 98 + HD2 PRO 52 OK 55 68 - 82 - 2.3/1326=7, 2.3/1326=7...(42) HB2 ARG 89 + HD2 PRO 52 OK 46 99 - 47 - 2864=7, 1.8/2872=7...(19) HG2 PRO 12 - HD2 PRO 52 OK 43 81 - 54 - ~103=4, 1336/1.8=4...(35) HB3 GLU 122 - HD2 PRO 52 OK 38 62 - 61 - ~4068=6, 3.0/1329=6...(27) HG3 PRO 12 - HD2 PRO 52 OK 36 68 - 54 - ~87=4, ~79=4, 103/2.3=4...(35) HB2 PRO 118 - HD2 PRO 52 OK 29 94 - 31 - 1.8/10453=4, ~10455=4...(17) HB ILE 136 - HD2 PRO 52 OK 19 100 - 19 - ~11044=3, ~10341=2...(7) HB3 LEU 132 - HD2 PRO 52 OK 13 100 - 13 - ~9577=1 HB2 ARG 140 - HD2 PRO 52 lone 8 85 - 10 - HG13 ILE 83 - HD2 PRO 52 lone 3 92 - 3 - HB2 LYS 86 - HD2 PRO 52 lone 1 62 - 2 - Peak 1328 from aliabs.peaks (1.94, 3.27, 50.40 ppm; 3.79 A): 5 out of 12 assignments used, quality = 1.00: * HG2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 3.0=100 HB3 PRO 98 + HD2 PRO 52 OK 59 72 - 82 - 2.3/1326=7, 2.3/1326=7...(42) HG2 PRO 12 + HD2 PRO 52 OK 46 85 - 54 - ~103=4, 1336/1.8=4...(35) HB2 ARG 89 + HD2 PRO 52 OK 45 98 - 46 - 2864=7, 1.8/2872=7...(19) HB3 GLU 122 - HD2 PRO 52 OK 41 68 - 62 - ~4068=6, 3.0/1329=6...(27) HG3 PRO 12 - HD2 PRO 52 OK 33 62 - 54 - ~87=4, ~79=4, ~55=4...(35) HB2 PRO 118 - HD2 PRO 52 OK 28 92 - 31 - 1.8/10453=4, ~10455=4...(17) HB ILE 136 - HD2 PRO 52 OK 19 100 - 19 - ~11044=3, ~10341=2...(7) HB3 LEU 132 - HD2 PRO 52 OK 13 100 - 13 - ~9577=1 HB2 ARG 140 - HD2 PRO 52 lone 8 81 - 10 - HG13 ILE 83 - HD2 PRO 52 lone 3 89 - 3 - Peak 1329 from aliabs.peaks (2.00, 3.27, 50.40 ppm; 3.86 A): 3 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 GLN 111 + HD2 PRO 52 OK 68 96 - 70 - 1379/1.8=14, 1378=11...(24) HG3 GLU 122 + HD2 PRO 52 OK 46 72 - 64 - 1369/2.3=8, 1361/3.0=7...(26) HB VAL 63 - HD2 PRO 52 OK 31 99 - 32 - 2.1/8232=7, ~8233=4...(14) QE MET 113 - HD2 PRO 52 OK 18 99 - 18 - 9337/8231=3, 3722/7379=3...(7) QE MET 59 - HD2 PRO 52 OK 13 92 - 14 - 3.4/10453=2, 3.4/10453=2...(8) HB3 GLU 90 - HD2 PRO 52 OK 12 99 - 12 - 1337/1.8=1, 1369/2.3=1...(5) QE MET 11 - HD2 PRO 52 OK 12 98 - 12 - 10601/4.6=3, 1337/1.8=1...(6) HB ILE 56 - HD2 PRO 52 lone 7 72 - 9 - ~8235=2 HB3 ARG 124 - HD2 PRO 52 lone 5 94 - 5 - Peak 1330 from aliabs.peaks (3.27, 3.27, 50.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 52 + HD2 PRO 52 OK 100 100 - 100 Peak 1331 from aliabs.peaks (3.54, 3.27, 50.40 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 52 + HD2 PRO 52 OK 100 100 - 100 - 1.8=100 HB2 PHE 45 - HD2 PRO 52 OK 15 68 - 22 - 8214/4.6=4, 1371/2.3=4...(9) Peak 1333 from aliabs.peaks (4.10, 3.54, 50.40 ppm; 5.06 A): 3 out of 5 assignments used, quality = 1.00: * HA PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.6=100 HB THR 110 + HD3 PRO 52 OK 69 99 - 70 - 3.0/10643=14, ~8231=11...(17) HD3 PRO 33 + HD3 PRO 52 OK 61 89 - 68 - 1357/3.0=11, 1349/3.0=11...(25) HA THR 99 - HD3 PRO 52 OK 42 89 - 48 - 1349/3.0=8, 1357/3.0=8...(11) HD3 PRO 118 - HD3 PRO 52 OK 34 68 - 50 - 3.0/10455=7, ~10640=7...(18) Peak 1334 from aliabs.peaks (2.05, 3.54, 50.40 ppm; 4.27 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.0=100 HG3 PRO 98 + HD3 PRO 52 OK 93 100 - 93 - 1366/2.3=12, 1358/3.0=11...(52) HG2 PRO 98 + HD3 PRO 52 OK 83 89 - 93 - 1366/2.3=11, 1358/3.0=10...(53) HB3 GLN 62 - HD3 PRO 52 OK 41 94 - 43 - 1366/2.3=5, 1326/1.8=4...(22) HB2 PRO 33 - HD3 PRO 52 OK 39 62 - 62 - 3.0/1333=5, 1358/3.0=4...(32) Peak 1335 from aliabs.peaks (1.94, 3.54, 50.40 ppm; 3.46 A): 3 out of 13 assignments used, quality = 1.00: * HB3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 98 + HD3 PRO 52 OK 50 68 - 74 - 2.3/1334=6, 2.3/1334=6...(42) HG2 PRO 12 - HD3 PRO 52 OK 43 81 - 53 - 3.8/8235=13, ~103=4...(34) HB2 ARG 89 - HD3 PRO 52 OK 38 99 - 38 - 2864/1.8=6, 3.5/1338=4...(19) HG3 PRO 12 - HD3 PRO 52 OK 36 68 - 54 - 3.8/8235=13, 103/2.3=3...(36) HB3 GLU 122 - HD3 PRO 52 OK 33 62 - 54 - ~4068=5, 3.0/1337=5...(27) HB2 PRO 118 - HD3 PRO 52 OK 26 94 - 28 - 1.8/10455=3, ~10640=3...(14) HB ILE 136 - HD3 PRO 52 OK 16 100 - 16 - ~11044=2, ~10341=2...(6) HB3 LEU 132 - HD3 PRO 52 OK 11 100 - 11 - HB2 ARG 140 - HD3 PRO 52 lone 6 85 - 7 - HG13 ILE 83 - HD3 PRO 52 lone 3 92 - 3 - HB2 LYS 86 - HD3 PRO 52 lone 1 62 - 1 - Peak 1336 from aliabs.peaks (1.94, 3.54, 50.40 ppm; 3.46 A): 4 out of 12 assignments used, quality = 1.00: * HG2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 3.0=100 HB3 PRO 98 + HD3 PRO 52 OK 54 72 - 75 - 2.3/1334=6, 2.3/1334=6...(42) HG2 PRO 12 + HD3 PRO 52 OK 45 85 - 53 - 3.8/8235=13, ~103=4...(34) HB2 ARG 89 - HD3 PRO 52 OK 37 98 - 38 - 2864/1.8=6, 3.5/1338=4...(19) HB3 GLU 122 - HD3 PRO 52 OK 36 68 - 54 - ~4068=5, 3.0/1337=5...(27) HG3 PRO 12 - HD3 PRO 52 OK 33 62 - 53 - 3.8/8235=13, ~87=3...(36) HB2 PRO 118 - HD3 PRO 52 OK 25 92 - 28 - 1.8/10455=3, ~10640=3...(14) HB ILE 136 - HD3 PRO 52 OK 16 100 - 16 - ~11044=2, ~10341=2...(6) HB3 LEU 132 - HD3 PRO 52 OK 11 100 - 11 - HB2 ARG 140 - HD3 PRO 52 lone 6 81 - 7 - HG13 ILE 83 - HD3 PRO 52 lone 3 89 - 3 - Peak 1337 from aliabs.peaks (2.00, 3.54, 50.40 ppm; 3.73 A): 2 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 GLN 111 + HD3 PRO 52 OK 64 96 - 67 - 1379=15, 1378/1.8=9...(23) HG3 GLU 122 - HD3 PRO 52 OK 44 72 - 61 - 1369/2.3=8, 1361/3.0=7...(24) HB VAL 63 - HD3 PRO 52 OK 29 99 - 29 - 2.1/8233=5, ~8232=4...(14) QE MET 113 - HD3 PRO 52 OK 14 99 - 15 - 9337/10643=3, 1329/1.8=2...(6) QE MET 59 - HD3 PRO 52 OK 12 92 - 13 - 3.4/10455=2, 3.4/10455=2...(6) QE MET 11 - HD3 PRO 52 OK 11 98 - 11 - 10601/4.6=3, 1329/1.8=1...(4) HB3 GLU 90 - HD3 PRO 52 OK 11 99 - 11 - 1369/2.3=1, 1329/1.8=1...(5) HB ILE 56 - HD3 PRO 52 lone 7 72 - 9 - 3.0/8235=3 HB3 ARG 124 - HD3 PRO 52 lone 5 94 - 5 - Peak 1338 from aliabs.peaks (3.27, 3.54, 50.40 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 52 + HD3 PRO 52 OK 100 100 - 100 - 1.8=100 HB2 TYR 112 - HD3 PRO 52 OK 32 72 - 44 - 1370/2.3=6, ~3675=6...(15) Peak 1339 from aliabs.peaks (3.54, 3.54, 50.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 52 + HD3 PRO 52 OK 100 100 - 100 Peak 1341 from aliabs.peaks (4.10, 4.10, 62.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 52 + HA PRO 52 OK 100 100 - 100 Peak 1342 from aliabs.peaks (2.05, 4.10, 62.20 ppm; 3.82 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HA PRO 52 OK 85 100 - 85 - 1358/2.3=11, 1366/3.8=7...(41) HG2 PRO 98 + HA PRO 52 OK 75 89 - 85 - 1358/2.3=10, ~1358=7...(40) HB2 PRO 33 - HA PRO 52 OK 44 62 - 70 - 2.3/472=10, 2.3/480=10...(29) HB3 GLN 62 - HA PRO 52 OK 33 94 - 35 - ~1759=4, 1358/2.3=4...(16) Peak 1343 from aliabs.peaks (1.94, 4.10, 62.20 ppm; 4.01 A): 3 out of 13 assignments used, quality = 1.00: * HB3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.8=100 HB3 PRO 98 + HA PRO 52 OK 59 68 - 87 - 2.3/9158=10, 2.3/1342=9...(40) HG2 PRO 12 - HA PRO 52 OK 41 81 - 51 - ~103=5, ~87=4, ~79=4...(27) HG3 PRO 12 - HA PRO 52 OK 34 68 - 51 - ~87=4, ~79=4, ~55=4...(27) HB2 PRO 118 - HA PRO 52 OK 30 94 - 32 - 1.8/10456=7, 11712/3.6=3...(15) HB3 GLU 122 - HA PRO 52 OK 30 62 - 48 - ~4068=7, ~4083=5...(17) HB2 ARG 89 - HA PRO 52 OK 28 99 - 28 - 2864/3.6=5, ~2868=3...(13) HB3 LEU 132 - HA PRO 52 OK 17 100 - 17 - 11712/3.6=3, 1.8/3293=1...(5) HB ILE 136 - HA PRO 52 OK 14 100 - 14 - 2.5/9667=1, 1351/2.3=1...(5) HB2 ARG 140 - HA PRO 52 lone 7 85 - 7 - HG13 ILE 83 - HA PRO 52 lone 3 92 - 4 - HB2 LYS 86 - HA PRO 52 lone 1 62 - 1 - Peak 1344 from aliabs.peaks (1.94, 4.10, 62.20 ppm; 4.01 A): 3 out of 12 assignments used, quality = 1.00: * HG2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.8=100 HB3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 98 + HA PRO 52 OK 63 72 - 87 - 2.3/9158=10, 2.3/1342=9...(40) HG2 PRO 12 - HA PRO 52 OK 44 85 - 51 - ~103=5, ~87=4, ~79=4...(27) HB3 GLU 122 - HA PRO 52 OK 33 68 - 49 - ~4068=7, ~4083=5...(17) HG3 PRO 12 - HA PRO 52 OK 31 62 - 50 - ~87=4, ~79=4, ~55=4...(27) HB2 PRO 118 - HA PRO 52 OK 29 92 - 31 - 1.8/10456=7, 1351/2.3=3...(15) HB2 ARG 89 - HA PRO 52 OK 27 98 - 28 - 2864/3.6=5, ~2868=3...(13) HB3 LEU 132 - HA PRO 52 OK 17 100 - 17 - 11712/3.6=3, 1.8/3293=1...(5) HB ILE 136 - HA PRO 52 OK 14 100 - 13 - 2.5/9667=1, 1351/2.3=1...(5) HB2 ARG 140 - HA PRO 52 lone 6 81 - 7 - HG13 ILE 83 - HA PRO 52 lone 3 89 - 3 - Peak 1345 from aliabs.peaks (2.00, 4.10, 62.20 ppm; 4.00 A): 1 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.8=100 HB2 GLN 111 - HA PRO 52 OK 38 96 - 40 - 1379/3.6=10, 1353/2.3=9...(7) HG3 GLU 122 - HA PRO 52 OK 33 72 - 46 - 1361/2.3=8, ~4083=7...(14) HB VAL 63 - HA PRO 52 OK 15 99 - 15 - 1353/2.3=3, 1361/2.3=3...(5) QE MET 113 - HA PRO 52 OK 14 99 - 14 - 9337/10457=4, 1353/2.3=2...(6) QE MET 59 - HA PRO 52 poor 10 92 - 11 - 3.4/10641=2, 1353/2.3=1...(5) QE MET 11 - HA PRO 52 lone 9 98 - 9 - 1353/2.3=1, 1361/2.3=1...(4) HB3 GLU 90 - HA PRO 52 lone 8 99 - 7 - 1361/2.3=2, 1353/2.3=1...(5) HB3 ARG 124 - HA PRO 52 lone 4 94 - 4 - HB ILE 56 - HA PRO 52 lone 3 72 - 5 - Peak 1346 from aliabs.peaks (3.27, 4.10, 62.20 ppm; 5.87 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.6=100 HB2 TYR 112 - HA PRO 52 OK 36 72 - 49 - 1354/2.3=14, 1370/3.8=12...(6) Peak 1347 from aliabs.peaks (3.54, 4.10, 62.20 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 52 + HA PRO 52 OK 100 100 - 100 - 3.6=100 HB2 PHE 45 - HA PRO 52 OK 20 68 - 29 - 1363/2.3=7, 1355/2.3=6...(8) Peak 1349 from aliabs.peaks (4.10, 2.05, 32.05 ppm; 3.67 A): 3 out of 5 assignments used, quality = 1.00: * HA PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HD3 PRO 33 + HB2 PRO 52 OK 57 89 - 64 - 1357/1.8=10, ~432=6...(34) HB THR 110 + HB2 PRO 52 OK 51 99 - 52 - 3.0/10642=8, 1357/1.8=7...(18) HA THR 99 - HB2 PRO 52 OK 41 89 - 46 - 1357/1.8=6, ~7169=4...(20) HD3 PRO 118 - HB2 PRO 52 OK 25 68 - 37 - 1.8/10642=4, 1357/1.8=4...(17) Peak 1350 from aliabs.peaks (2.05, 2.05, 32.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 Peak 1351 from aliabs.peaks (1.94, 2.05, 32.05 ppm; 3.26 A): 3 out of 13 assignments used, quality = 1.00: * HB3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 1.8=100 HG2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 98 + HB2 PRO 52 OK 50 68 - 75 - 1.8/3262=10, 2.3/3254=7...(36) HG2 PRO 12 - HB2 PRO 52 OK 39 81 - 48 - ~103=4, ~79=3, ~87=3...(26) HG3 PRO 12 - HB2 PRO 52 OK 33 68 - 49 - 103/1.8=3, ~79=3, ~87=3...(37) HB3 GLU 122 - HB2 PRO 52 OK 33 62 - 53 - ~4068=6, 3.0/1353=5...(29) HB2 ARG 89 - HB2 PRO 52 OK 30 99 - 31 - 2864/3.0=4, ~2868=3...(19) HB2 PRO 118 - HB2 PRO 52 OK 28 94 - 30 - ~10456=3, 3.0/10642=3...(16) HB ILE 136 - HB2 PRO 52 OK 15 100 - 15 - ~11044=2, ~10341=1...(5) HB3 LEU 132 - HB2 PRO 52 OK 12 100 - 12 - 11712/3.9=2 HB2 ARG 140 - HB2 PRO 52 lone 5 85 - 6 - HG13 ILE 83 - HB2 PRO 52 lone 2 92 - 2 - HB2 LYS 86 - HB2 PRO 52 lone 1 62 - 1 - Peak 1352 from aliabs.peaks (1.94, 2.05, 32.05 ppm; 3.26 A): 3 out of 12 assignments used, quality = 1.00: * HG2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 1.8=100 HB3 PRO 98 + HB2 PRO 52 OK 54 72 - 75 - 1.8/3262=10, 3270=7...(36) HG2 PRO 12 - HB2 PRO 52 OK 41 85 - 48 - ~103=4, ~79=3, ~87=3...(26) HB3 GLU 122 - HB2 PRO 52 OK 36 68 - 53 - ~4068=6, 3.0/1353=5...(29) HB2 ARG 89 - HB2 PRO 52 OK 30 98 - 31 - 2864/3.0=4, ~2868=3...(19) HG3 PRO 12 - HB2 PRO 52 OK 30 62 - 48 - ~79=3, ~87=3, 103/1.8=3...(37) HB2 PRO 118 - HB2 PRO 52 OK 27 92 - 30 - ~10456=3, 3.0/10642=3...(16) HB ILE 136 - HB2 PRO 52 OK 15 100 - 15 - ~11044=2, ~10341=1...(5) HB3 LEU 132 - HB2 PRO 52 OK 12 100 - 12 - 11712/3.9=2 HB2 ARG 140 - HB2 PRO 52 lone 5 81 - 6 - HG13 ILE 83 - HB2 PRO 52 lone 2 89 - 2 - Peak 1353 from aliabs.peaks (2.00, 2.05, 32.05 ppm; 2.98 A): 2 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 GLN 111 + HB2 PRO 52 OK 46 96 - 48 - 1361/1.8=6, 1379/3.0=6...(18) HG3 GLU 122 - HB2 PRO 52 OK 33 72 - 46 - 1361/1.8=7, 1369/2.3=6...(16) HB VAL 63 - HB2 PRO 52 OK 17 99 - 17 - 1361/1.8=2, 1369/2.3=2...(9) QE MET 113 - HB2 PRO 52 lone 9 99 - 9 - 9337/10642=2, 1361/1.8=1...(4) HB3 GLU 90 - HB2 PRO 52 lone 7 99 - 7 - 1361/1.8=1, 1369/2.3=1 QE MET 11 - HB2 PRO 52 lone 7 98 - 7 - 10600/8986=1 QE MET 59 - HB2 PRO 52 lone 7 92 - 7 - HB ILE 56 - HB2 PRO 52 lone 4 72 - 5 - HB3 ARG 124 - HB2 PRO 52 lone 3 94 - 3 - Peak 1354 from aliabs.peaks (3.27, 2.05, 32.05 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 3.0=100 HB2 TYR 112 + HB2 PRO 52 OK 46 72 - 64 - 1370/2.3=12, 1338/3.0=11...(12) Peak 1355 from aliabs.peaks (3.54, 2.05, 32.05 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 52 + HB2 PRO 52 OK 100 100 - 100 - 3.0=100 HB2 PHE 45 - HB2 PRO 52 OK 26 68 - 38 - 1363/1.8=9, 1347/2.3=8...(9) Peak 1357 from aliabs.peaks (4.10, 1.94, 32.05 ppm; 3.67 A): 3 out of 5 assignments used, quality = 1.00: * HA PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 2.3=100 HD3 PRO 33 + HB3 PRO 52 OK 59 89 - 67 - 1349/1.8=9, ~432=6...(35) HB THR 110 + HB3 PRO 52 OK 52 99 - 52 - 1349/1.8=7, ~10642=5...(19) HA THR 99 - HB3 PRO 52 OK 41 89 - 46 - 1349/1.8=7, ~7169=4...(21) HD3 PRO 118 - HB3 PRO 52 OK 27 68 - 40 - 1349/1.8=3, ~10642=3...(21) Peak 1358 from aliabs.peaks (2.05, 1.94, 32.05 ppm; 3.02 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 1.8=100 HG3 PRO 98 + HB3 PRO 52 OK 79 100 - 80 - 1366/2.3=8, 1374/2.3=7...(58) HG2 PRO 98 + HB3 PRO 52 OK 71 89 - 80 - 1366/2.3=7, 1374/2.3=6...(58) HB2 PRO 33 - HB3 PRO 52 OK 34 62 - 55 - 3.0/1357=5, ~472=3...(38) HB3 GLN 62 - HB3 PRO 52 OK 31 94 - 33 - 1766=3, ~1759=3...(16) Peak 1359 from aliabs.peaks (1.94, 1.94, 32.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 Peak 1360 from aliabs.peaks (1.94, 1.94, 32.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 Reference assignment not found: HG2 PRO 52 - HB3 PRO 52 Peak 1361 from aliabs.peaks (2.00, 1.94, 32.05 ppm; 2.87 A): 1 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 GLN 111 - HB3 PRO 52 OK 42 96 - 44 - 1353/1.8=6, 1379/3.0=6...(18) HG3 GLU 122 - HB3 PRO 52 OK 38 72 - 53 - 1.8/4083=6, 1369/2.3=6...(22) HB VAL 63 - HB3 PRO 52 OK 16 99 - 16 - 1353/1.8=2, 1369/2.3=2...(8) QE MET 113 - HB3 PRO 52 lone 8 99 - 8 - 1353/1.8=1 HB3 GLU 90 - HB3 PRO 52 lone 8 99 - 8 - 3.9/7032=1 QE MET 59 - HB3 PRO 52 lone 6 92 - 7 - QE MET 11 - HB3 PRO 52 lone 6 98 - 6 - HB ILE 56 - HB3 PRO 52 lone 3 72 - 4 - HB3 ARG 124 - HB3 PRO 52 lone 3 94 - 3 - Peak 1362 from aliabs.peaks (3.27, 1.94, 32.05 ppm; 6.65 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 3.0=100 HB2 TYR 112 + HB3 PRO 52 OK 55 72 - 76 - 1354/1.8=16, 1370/2.3=15...(11) Peak 1363 from aliabs.peaks (3.54, 1.94, 32.05 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 52 + HB3 PRO 52 OK 100 100 - 100 - 3.0=100 HB2 PHE 45 - HB3 PRO 52 OK 24 68 - 35 - 1347/2.3=7, 1355/1.8=7...(10) Peak 1365 from aliabs.peaks (4.10, 1.94, 27.30 ppm; 6.80 A): 5 out of 5 assignments used, quality = 1.00: * HA PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 3.8=100 HB THR 110 + HG2 PRO 52 OK 82 99 - 83 - ~8231=15, ~10642=15...(15) HD3 PRO 33 + HG2 PRO 52 OK 70 89 - 79 - 1357/2.3=12, 1349/2.3=12...(24) HA THR 99 + HG2 PRO 52 OK 56 89 - 63 - ~9153=12, ~9153=10...(12) HD3 PRO 118 + HG2 PRO 52 OK 46 68 - 69 - ~10640=12, ~10453=9...(25) Peak 1366 from aliabs.peaks (2.05, 1.94, 27.30 ppm; 3.16 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HG2 PRO 52 OK 82 100 - 82 - 1374/1.8=9, 1358/2.3=9...(59) HG2 PRO 98 + HG2 PRO 52 OK 73 89 - 82 - 1374/1.8=8, 1358/2.3=8...(59) HB3 GLN 62 - HG2 PRO 52 OK 31 94 - 33 - 1766/2.3=3, ~1759=3...(13) HB2 PRO 33 - HG2 PRO 52 OK 26 62 - 42 - 1358/2.3=3, 3.0/1365=3...(28) Peak 1367 from aliabs.peaks (1.94, 1.94, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 Reference assignment not found: HB3 PRO 52 - HG2 PRO 52 Peak 1368 from aliabs.peaks (1.94, 1.94, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 Peak 1369 from aliabs.peaks (2.00, 1.94, 27.30 ppm; 2.63 A): 1 out of 10 assignments used, quality = 1.00: * HG3 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 1.8=100 HB2 GLN 111 - HG2 PRO 52 OK 38 96 - 40 - 1379/2.3=5, 1353/2.3=5...(18) HG3 GLU 122 - HG2 PRO 52 OK 33 72 - 47 - 1.8/4083=5, 1361/2.3=5...(19) HB VAL 63 - HG2 PRO 52 OK 14 99 - 14 - ~8232=2, 1353/2.3=2...(8) HB3 GLU 90 - HG2 PRO 52 lone 7 99 - 7 - QE MET 113 - HG2 PRO 52 lone 7 99 - 7 - QE MET 11 - HG2 PRO 52 lone 5 98 - 5 - QE MET 59 - HG2 PRO 52 lone 5 92 - 5 - HB ILE 56 - HG2 PRO 52 lone 3 72 - 4 - HB3 ARG 124 - HG2 PRO 52 lone 2 94 - 2 - Peak 1370 from aliabs.peaks (3.27, 1.94, 27.30 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 TYR 112 - HG2 PRO 52 OK 41 72 - 57 - 1338/2.3=11, 1354/2.3=10...(11) Peak 1371 from aliabs.peaks (3.54, 1.94, 27.30 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 52 + HG2 PRO 52 OK 100 100 - 100 - 2.3=100 HB2 PHE 45 - HG2 PRO 52 OK 12 68 - 18 - 1331/2.3=4, 1363/2.3=3...(7) Peak 1373 from aliabs.peaks (4.10, 2.00, 27.30 ppm; 4.54 A): 4 out of 10 assignments used, quality = 1.00: * HA PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 3.8=100 HB THR 110 + HG3 PRO 52 OK 65 99 - 66 - 2.1/9288=9, 3.0/9280=8...(17) HB THR 110 + HB2 GLN 111 OK 64 84 - 77 - 3598/3.9=23, 9284/3.0=17...(19) HD3 PRO 33 + HG3 PRO 52 OK 58 89 - 65 - 1357/2.3=11, 1349/2.3=11...(23) HA PRO 52 - HB2 GLN 111 OK 42 87 - 49 - 3.6/1379=13, 2.3/1353=10...(8) HA THR 99 - HG3 PRO 52 OK 40 89 - 45 - 3.2/9153=10, 1349/2.3=8...(10) HD3 PRO 118 - HG3 PRO 52 OK 29 68 - 44 - ~10640=5, ~10642=4...(20) HD3 PRO 33 - HB2 GLN 111 OK 13 72 - 18 - 424/2.9=3, ~422=3...(4) HD3 PRO 118 - HB2 GLN 111 poor 9 52 - 18 - ~10374=3, ~3631=2...(5) HA THR 99 - HB2 GLN 111 poor 8 72 - 11 - 3.2/9153=2, ~9152=1...(4) Peak 1374 from aliabs.peaks (2.05, 2.00, 27.30 ppm; 2.71 A): 3 out of 10 assignments used, quality = 1.00: * HB2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HG3 PRO 52 OK 66 100 - 67 - 1366/1.8=7, 1358/2.3=7...(45) HG2 PRO 98 + HG3 PRO 52 OK 59 89 - 67 - 1366/1.8=6, 1358/2.3=6...(45) HB2 PRO 52 - HB2 GLN 111 OK 37 87 - 43 - 1353=8, 1.8/1361=5...(18) HB3 GLN 62 - HG3 PRO 52 OK 20 94 - 21 - 1366/1.8=3, 1766/2.3=2...(9) HB2 PRO 33 - HG3 PRO 52 OK 19 62 - 31 - 1.8/35=3, 1358/2.3=3...(24) HG3 PRO 98 - HB2 GLN 111 lone 2 85 - 3 - HB3 GLN 62 - HB2 GLN 111 lone 2 78 - 3 - HG2 PRO 98 - HB2 GLN 111 lone 2 72 - 3 - HB2 PRO 33 - HB2 GLN 111 lone 2 48 - 4 - Peak 1375 from aliabs.peaks (1.94, 2.00, 27.30 ppm; 2.65 A): 2 out of 26 assignments used, quality = 1.00: * HB3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 1.8=100 HB3 PRO 98 - HG3 PRO 52 OK 40 68 - 59 - 2.3/1374=6, 2.3/1374=5...(42) HG2 PRO 52 - HB2 GLN 111 OK 38 87 - 44 - 1369=9, 2.3/1379=5...(18) HB3 PRO 52 - HB2 GLN 111 OK 35 87 - 40 - 1361=8, 1.8/1353=6...(18) HG2 PRO 12 - HG3 PRO 52 OK 27 81 - 33 - ~103=3, ~79=2, ~87=2...(12) HB3 GLU 122 - HG3 PRO 52 OK 26 62 - 42 - 1.8/4070=5, 4078=5...(23) HG3 PRO 12 - HG3 PRO 52 OK 23 68 - 34 - 103/1.8=3, 103/2.3=2...(13) HB2 ARG 89 - HG3 PRO 52 OK 23 99 - 23 - 2864/2.3=3, 1.8/3620=3...(11) HB ILE 136 - HB2 GLN 111 OK 16 86 - 18 - 2.1/11044=4, 2.5/10341=4...(4) HB2 PRO 118 - HG3 PRO 52 OK 15 94 - 16 - 2.3/3621=2, ~10640=1...(6) HB2 ARG 140 - HB2 GLN 111 OK 12 68 - 18 - 10374/2.9=3, 1.8/3620=2...(7) HB ILE 136 - HG3 PRO 52 lone 9 100 - 9 - 2.1/11044=2, 2.5/10341=2 HB2 ARG 89 - HB2 GLN 111 poor 9 84 - 10 - 2861/1.8=1 HB3 LEU 132 - HG3 PRO 52 lone 7 100 - 7 - 3.2/9577=1 HB2 PRO 118 - HB2 GLN 111 lone 5 78 - 6 - HB2 ARG 140 - HG3 PRO 52 lone 4 85 - 4 - HG2 PRO 12 - HB2 GLN 111 lone 2 64 - 3 - HB3 LEU 132 - HB2 GLN 111 lone 2 87 - 2 - HB3 GLU 122 - HB2 GLN 111 lone 2 48 - 3 - HG3 PRO 12 - HB2 GLN 111 lone 1 52 - 3 - HG13 ILE 83 - HG3 PRO 52 lone 1 92 - 1 - HG13 ILE 83 - HB2 GLN 111 lone 1 75 - 1 - HB3 PRO 98 - HB2 GLN 111 lone 1 52 - 1 - HB2 LYS 86 - HG3 PRO 52 lone 0 62 - 1 - HB2 LYS 86 - HB2 GLN 111 lone 0 48 - 0 - Peak 1376 from aliabs.peaks (1.94, 2.00, 27.30 ppm; 2.65 A): 2 out of 24 assignments used, quality = 1.00: * HG2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 1.8=100 HB3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HB3 PRO 98 - HG3 PRO 52 OK 43 72 - 59 - 2.3/1374=6, 2.3/1374=5...(42) HG2 PRO 52 - HB2 GLN 111 OK 38 87 - 44 - 1369=9, 2.3/1379=5...(18) HB3 PRO 52 - HB2 GLN 111 OK 35 87 - 40 - 1361=8, 1.8/1353=6...(18) HB3 GLU 122 - HG3 PRO 52 OK 28 68 - 43 - 1.8/4070=5, 4078=5...(23) HG2 PRO 12 - HG3 PRO 52 OK 28 85 - 33 - ~103=3, ~79=2, ~87=2...(12) HB2 ARG 89 - HG3 PRO 52 OK 22 98 - 23 - 2864/2.3=3, 1.8/3620=3...(11) HG3 PRO 12 - HG3 PRO 52 OK 21 62 - 33 - 103/1.8=2, ~79=2, ~87=2...(13) HB ILE 136 - HB2 GLN 111 OK 15 85 - 18 - 2.1/11044=4, 2.5/10341=4...(4) HB2 PRO 118 - HG3 PRO 52 OK 14 92 - 16 - 2.3/3621=2, ~10640=1...(6) HB2 ARG 140 - HB2 GLN 111 OK 11 64 - 17 - 10374/2.9=3, 1.8/3620=2...(7) HB ILE 136 - HG3 PRO 52 lone 9 100 - 9 - 2.1/11044=2, 2.5/10341=2 HB2 ARG 89 - HB2 GLN 111 poor 9 82 - 10 - 2861/1.8=1 HB3 LEU 132 - HG3 PRO 52 lone 7 100 - 7 - 3.2/9577=1 HB2 PRO 118 - HB2 GLN 111 lone 5 75 - 6 - HB2 ARG 140 - HG3 PRO 52 lone 4 81 - 4 - HG2 PRO 12 - HB2 GLN 111 lone 2 68 - 3 - HB3 GLU 122 - HB2 GLN 111 lone 2 52 - 3 - HB3 LEU 132 - HB2 GLN 111 lone 2 87 - 2 - HG13 ILE 83 - HG3 PRO 52 lone 1 89 - 1 - HG3 PRO 12 - HB2 GLN 111 lone 1 48 - 3 - HG13 ILE 83 - HB2 GLN 111 lone 1 72 - 1 - HB3 PRO 98 - HB2 GLN 111 lone 1 56 - 1 - Peak 1377 from aliabs.peaks (2.00, 2.00, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 HB2 GLN 111 + HB2 GLN 111 OK 80 80 - 100 Peak 1378 from aliabs.peaks (3.27, 2.00, 27.30 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HD2 PRO 52 + HB2 GLN 111 OK 66 87 - 76 - 1.8/1379=16, 1329=11...(24) HB2 TYR 112 - HG3 PRO 52 OK 38 72 - 53 - 1338/2.3=10, 1370/1.8=9...(13) HB2 TYR 112 - HB2 GLN 111 OK 10 56 - 18 - 7366/4.6=12, 4.7/7388=3 Peak 1379 from aliabs.peaks (3.54, 2.00, 27.30 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 52 + HG3 PRO 52 OK 100 100 - 100 - 2.3=100 HD3 PRO 52 + HB2 GLN 111 OK 61 87 - 71 - 1.8/1378=11, 1337=11...(23) HB2 PHE 45 - HG3 PRO 52 OK 15 68 - 23 - 1331/2.3=5, 1371/1.8=5...(6) HB2 PHE 45 - HB2 GLN 111 lone 2 52 - 5 - Peak 1382 from aliabs.peaks (4.08, 4.08, 62.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 53 + HA VAL 53 OK 100 100 - 100 Peak 1383 from aliabs.peaks (2.13, 4.08, 62.29 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: * HB VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.0=100 HB VAL 73 + HA VAL 53 OK 56 89 - 63 - 8571=20, ~8240=9...(15) HG3 PRO 118 - HA VAL 53 OK 45 62 - 71 - 1.8/1383=7, ~8245=7...(32) HB2 GLN 133 - HA VAL 53 OK 23 72 - 32 - 4.0/7678=4, 1393/3.2=3...(14) HB3 GLN 133 - HA VAL 53 OK 22 68 - 32 - 4.0/7678=4, 1393/3.2=3...(14) HG2 GLN 111 - HA VAL 53 OK 15 100 - 15 - 3.0/9846=3, ~3649=2...(6) HB2 GLU 75 - HA VAL 53 OK 12 100 - 12 - 10689/10694=4...(4) Peak 1384 from aliabs.peaks (0.94, 4.08, 62.29 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.2=100 QG2 ILE 91 - HA VAL 53 OK 43 89 - 49 - 3.2/1385=6, 1399/3.2=6...(23) QG1 VAL 63 - HA VAL 53 OK 43 98 - 44 - 1384=11, 1399/3.2=6...(12) QD2 LEU 29 - HA VAL 53 OK 24 72 - 33 - 4.0/9840=9, 2.1/8060=6...(9) HB2 LEU 108 - HA VAL 53 poor 10 92 - 11 - 1389/3.0=2, 1399/3.2=1...(4) Peak 1385 from aliabs.peaks (1.03, 4.08, 62.29 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 53 + HA VAL 53 OK 100 100 - 100 - 3.2=100 QD2 LEU 69 - HA VAL 53 OK 26 92 - 29 - ~9892=6, 1395/3.2=5...(10) QD2 LEU 116 - HA VAL 53 OK 15 96 - 16 - 1395/3.2=3, 1390/3.0=2...(5) Peak 1387 from aliabs.peaks (4.08, 2.13, 30.41 ppm; 5.66 A): 3 out of 12 assignments used, quality = 1.00: * HA VAL 53 + HB VAL 53 OK 100 100 - 100 - 3.0=100 HD3 PRO 118 + HB VAL 53 OK 70 89 - 79 - ~8245=11, 1392/2.1=8...(29) HA LEU 132 + HB VAL 53 OK 61 100 - 61 - 11616/2.1=10, ~9548=10...(14) HA LYS 34 - HB VAL 53 OK 41 96 - 43 - 10581=14, 1392/2.1=5...(12) HD3 PRO 33 - HB VAL 53 OK 38 68 - 57 - ~1398=6, ~1393=5...(22) HA GLU 90 - HB VAL 53 OK 32 100 - 32 - 1397/2.1=4, 6498/3.9=4...(10) HA VAL 53 - HB VAL 73 OK 22 32 - 69 - ~8240=13, ~8240=12...(16) HA LEU 132 - HB VAL 73 poor 5 31 - 15 - 10292/2.1=6, ~10408=4 HA GLU 90 - HB VAL 73 poor 4 31 - 13 - 8957/2.1=9 HD3 PRO 118 - HB VAL 73 lone 2 24 - 7 - ~2175=1, ~2181=1 HA LYS 34 - HB VAL 73 lone 1 28 - 3 - HD3 PRO 33 - HB VAL 73 lone 1 17 - 3 - Peak 1388 from aliabs.peaks (2.13, 2.13, 30.41 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 53 + HB VAL 53 OK 100 100 - 100 HB VAL 73 - HB VAL 73 OK 24 24 - 100 Peak 1389 from aliabs.peaks (0.94, 2.13, 30.41 ppm; 3.91 A): 3 out of 10 assignments used, quality = 1.00: * QG1 VAL 53 + HB VAL 53 OK 100 100 - 100 - 2.1=100 QG1 VAL 63 + HB VAL 53 OK 55 98 - 56 - 2.1/9867=12, 1389=12...(15) QG2 ILE 91 + HB VAL 53 OK 54 89 - 60 - 1399/2.1=9, 3.2/1390=8...(20) QD2 LEU 29 - HB VAL 53 OK 25 72 - 35 - 10537/3.0=4, ~8060=4...(14) HB2 LEU 108 - HB VAL 53 OK 22 92 - 24 - 4.4/10627=8, 1399/2.1=2...(9) QG2 ILE 91 - HB VAL 73 OK 20 24 - 84 - 10648/2.1=17, ~8978=16...(23) QG1 VAL 53 - HB VAL 73 OK 15 32 - 48 - 1393=8, ~8240=7, ~8240=7...(12) HB2 LEU 108 - HB VAL 73 OK 11 26 - 43 - 8588/2.1=6, 3482/2.1=5...(22) QG1 VAL 63 - HB VAL 73 poor 4 29 - 12 - 2.1/9867=3, 8588/2.1=3, 9872=2 QD2 LEU 29 - HB VAL 73 poor 3 18 - 19 - ~8588=6, ~11040=3...(7) Peak 1390 from aliabs.peaks (1.03, 2.13, 30.41 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 53 + HB VAL 53 OK 100 100 - 100 - 2.1=100 QD2 LEU 69 - HB VAL 53 OK 32 92 - 34 - 2.1/9892=13, 1395/2.1=7...(8) QD2 LEU 69 - HB VAL 73 OK 20 26 - 77 - ~8595=10, 8477/2.1=10...(26) QD2 LEU 116 - HB VAL 53 OK 18 96 - 18 - 1395/2.1=4, 1385/3.0=3...(7) QG2 VAL 53 - HB VAL 73 OK 15 32 - 48 - 8240/3.0=11, 1398=8...(13) QD2 LEU 116 - HB VAL 73 poor 9 28 - 32 - ~8596=7, ~10227=6...(11) Peak 1392 from aliabs.peaks (4.08, 0.94, 22.18 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 3.2=100 HA LEU 132 - QG1 VAL 53 OK 44 100 - 44 - 11616=9, 2.8/9548=6...(17) HD3 PRO 118 - QG1 VAL 53 OK 42 89 - 48 - 1397/2.1=6, 2.3/1393=5...(24) HA LYS 34 - QG1 VAL 53 OK 25 96 - 26 - 10581/2.1=8, 1392=5...(6) HD3 PRO 33 - QG1 VAL 53 OK 22 68 - 33 - 2.3/1393=4, 1392=4...(16) HA GLU 90 - QG1 VAL 53 OK 18 100 - 18 - 1392=3, 1397/2.1=3...(6) Peak 1393 from aliabs.peaks (2.13, 0.94, 22.18 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 2.1=100 HB VAL 73 - QG1 VAL 53 OK 32 89 - 36 - 8571/3.2=7, 1398/2.1=5...(11) HG3 PRO 118 - QG1 VAL 53 OK 31 62 - 50 - 1.8/1393=6, 2.3/1392=5...(27) HB2 GLN 133 - QG1 VAL 53 OK 17 72 - 23 - 4.5/9610=4, 4.0/9622=3...(9) HB3 GLN 133 - QG1 VAL 53 OK 16 68 - 23 - 4.5/9610=4, 4.0/9622=3...(9) HB2 GLU 75 - QG1 VAL 53 lone 7 100 - 7 - 1398/2.1=2, 10689/9847=1 HG2 GLN 111 - QG1 VAL 53 lone 7 100 - 7 - 1398/2.1=1 Peak 1394 from aliabs.peaks (0.94, 0.94, 22.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 53 + QG1 VAL 53 OK 100 100 - 100 Peak 1395 from aliabs.peaks (1.03, 0.94, 22.18 ppm; 2.87 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 53 + QG1 VAL 53 OK 100 100 - 100 - 2.1=100 QD2 LEU 69 - QG1 VAL 53 OK 19 92 - 20 - ~9892=4, 1385/3.2=3...(7) QD2 LEU 116 - QG1 VAL 53 OK 12 96 - 12 - 1385/3.2=2, 1390/2.1=2...(4) Peak 1397 from aliabs.peaks (4.08, 1.03, 20.95 ppm; 3.05 A): 2 out of 6 assignments used, quality = 0.94: * HA VAL 53 + QG2 VAL 53 OK 90 100 - 90 - 3.2=87, 3.0/1396=13...(6) HD3 PRO 118 + QG2 VAL 53 OK 35 89 - 39 - 3.0/8245=6, 1392/2.1=5...(20) HA LEU 132 - QG2 VAL 53 OK 28 100 - 28 - 1397=6, 11616/2.1=6...(13) HA LYS 34 - QG2 VAL 53 OK 21 96 - 21 - 10581/2.1=7, 1397=5...(5) HD3 PRO 33 - QG2 VAL 53 OK 20 68 - 29 - 1397=5, 2.3/1398=4...(10) HA GLU 90 - QG2 VAL 53 OK 18 100 - 18 - 1397=4, 3.6/7058=3...(6) Peak 1398 from aliabs.peaks (2.13, 1.03, 20.95 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 53 + QG2 VAL 53 OK 100 100 - 100 - 2.1=100 HB VAL 73 - QG2 VAL 53 OK 31 89 - 35 - 3.0/8240=7, 8571/3.2=7...(11) HG3 PRO 118 - QG2 VAL 53 OK 31 62 - 50 - 2.3/8245=9, 1.8/1398=6...(26) HB2 GLN 133 - QG2 VAL 53 OK 12 72 - 17 - 1393/2.1=3, 2.9/8245=2...(8) HB3 GLN 133 - QG2 VAL 53 OK 11 68 - 17 - 1393/2.1=2, 2.9/8245=2...(8) HB2 GLU 75 - QG2 VAL 53 lone 10 100 - 10 - 10689/10492=3...(3) HG2 GLN 111 - QG2 VAL 53 lone 8 100 - 8 - 3.5/10988=1, 1393/2.1=1 Peak 1399 from aliabs.peaks (0.94, 1.03, 20.95 ppm; 2.74 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 53 + QG2 VAL 53 OK 100 100 - 100 - 2.1=100 QG2 ILE 91 - QG2 VAL 53 OK 36 89 - 41 - 2967=6, 2.1/8245=6...(20) QG1 VAL 63 - QG2 VAL 53 OK 35 98 - 36 - 1399=10, 9872/2.1=5...(12) QD2 LEU 29 - QG2 VAL 53 OK 14 72 - 19 - 1399=2, 10537/3.2=2...(9) HB2 LEU 108 - QG2 VAL 53 lone 9 92 - 10 - 1389/2.1=1 Peak 1400 from aliabs.peaks (1.03, 1.03, 20.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 53 + QG2 VAL 53 OK 100 100 - 100 Peak 1401 from aliabs.peaks (4.71, 4.71, 54.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HA ARG 55 OK 100 100 - 100 Peak 1402 from aliabs.peaks (1.78, 4.71, 54.66 ppm; 3.77 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 2.9=100 HG LEU 39 - HA ARG 55 OK 16 85 - 19 - 1402=6, 10616/3.0=2...(8) HB3 MET 59 - HA ARG 55 lone 10 98 - 10 - 1402=3, 6508/3.6=1 HG LEU 72 - HA ARG 55 lone 10 100 - 9 - 1402=2, 10616/3.0=1 HB3 ARG 145 - HA ARG 55 lone 8 89 - 9 - 10616/3.0=2, 1416/3.9=1 HB3 ARG 35 - HA ARG 55 lone 3 62 - 4 - 1402=1 HB ILE 83 - HA ARG 55 lone 2 77 - 2 - HD2 LYS 34 - HA ARG 55 lone 1 81 - 1 - Peak 1403 from aliabs.peaks (1.56, 4.71, 54.66 ppm; 4.27 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.9=100 HG3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.9=100 HG2 ARG 145 - HA ARG 55 lone 8 94 - 8 - 2.9/1402=2, 1410/2.9=1 HG3 ARG 145 - HA ARG 55 lone 8 94 - 8 - 2.9/1402=2, 1410/2.9=1 HB3 LEU 79 - HA ARG 55 lone 4 85 - 5 - 1411/2.9=2 HD2 LYS 76 - HA ARG 55 lone 2 62 - 4 - HG2 ARG 109 - HA ARG 55 lone 1 100 - 1 - HB2 LEU 126 - HA ARG 55 lone 1 89 - 1 - HD2 LYS 85 - HA ARG 55 lone 1 94 - 1 - HD3 LYS 85 - HA ARG 55 lone 1 62 - 1 - Peak 1404 from aliabs.peaks (1.56, 4.71, 54.66 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.9=100 HG2 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.9=100 HG2 ARG 145 - HA ARG 55 lone 7 89 - 8 - 2.9/1402=2, 1410/2.9=1 HG3 ARG 145 - HA ARG 55 lone 7 89 - 8 - 2.9/1402=2, 1410/2.9=1 HB3 LEU 79 - HA ARG 55 lone 5 92 - 5 - 1411/2.9=2 HD2 LYS 76 - HA ARG 55 lone 3 72 - 4 - HG2 ARG 109 - HA ARG 55 lone 1 98 - 1 - HB2 LEU 126 - HA ARG 55 lone 1 81 - 1 - HD2 LYS 85 - HA ARG 55 lone 1 89 - 1 - Peak 1408 from aliabs.peaks (4.71, 1.78, 32.59 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 55 + HB3 ARG 55 OK 100 100 - 100 - 2.9=100 HA LEU 116 - HB3 ARG 55 lone 1 72 - 1 - HA SER 127 - HB3 ARG 55 lone 0 68 - 1 - Peak 1409 from aliabs.peaks (1.78, 1.78, 32.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 Peak 1410 from aliabs.peaks (1.56, 1.78, 32.59 ppm; 2.93 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 55 + HB3 ARG 55 OK 99 100 - 99 - 3.0=96, 1.8/1423=17...(36) HG3 ARG 55 + HB3 ARG 55 OK 99 100 - 99 - 3.0=96, 1.8/1416=17...(36) HB3 LEU 79 - HB3 ARG 55 lone 9 85 - 10 - ~2368=2, ~2368=1...(4) HG2 ARG 145 - HB3 ARG 55 lone 6 94 - 6 - HG3 ARG 145 - HB3 ARG 55 lone 6 94 - 6 - HD2 LYS 76 - HB3 ARG 55 lone 4 62 - 7 - ~9861=4 HG2 ARG 109 - HB3 ARG 55 lone 1 100 - 1 - HB2 LEU 126 - HB3 ARG 55 lone 1 89 - 1 - HD2 LYS 85 - HB3 ARG 55 lone 0 94 - 0 - HD3 LYS 85 - HB3 ARG 55 lone 0 62 - 0 - Peak 1411 from aliabs.peaks (1.56, 1.78, 32.59 ppm; 2.93 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 55 + HB3 ARG 55 OK 99 100 - 99 - 3.0=96, 1.8/1416=17...(36) HG2 ARG 55 + HB3 ARG 55 OK 99 100 - 99 - 3.0=96, 1.8/1423=17...(36) HB3 LEU 79 - HB3 ARG 55 poor 9 92 - 10 - ~2368=2, ~2368=1...(4) HG2 ARG 145 - HB3 ARG 55 lone 5 89 - 6 - HG3 ARG 145 - HB3 ARG 55 lone 5 89 - 6 - HD2 LYS 76 - HB3 ARG 55 lone 5 72 - 7 - ~9861=4 HG2 ARG 109 - HB3 ARG 55 lone 1 98 - 1 - HB2 LEU 126 - HB3 ARG 55 lone 1 81 - 1 - HD2 LYS 85 - HB3 ARG 55 lone 0 89 - 0 - Peak 1412 from aliabs.peaks (3.20, 1.78, 32.59 ppm; 3.80 A): 2 out of 11 assignments used, quality = 1.00: * HD2 ARG 55 + HB3 ARG 55 OK 99 100 - 99 - 3.9=89, 3.0/1411=18...(30) HD3 ARG 55 + HB3 ARG 55 OK 97 98 - 99 - 3.9=89, 3.0/1411=18...(30) HD3 ARG 144 - HB3 ARG 55 OK 17 77 - 22 - 1.8/1430=3, 1437=2...(10) HA LEU 39 - HB3 ARG 55 OK 12 100 - 12 - 2.9/6266=2, 3.8/857=2...(5) HA VAL 73 - HB3 ARG 55 lone 6 100 - 6 - 3.0/6761=1 HD3 ARG 141 - HB3 ARG 55 lone 5 98 - 5 - HD2 ARG 141 - HB3 ARG 55 lone 5 100 - 5 - HG3 MET 46 - HB3 ARG 55 lone 1 72 - 1 - HD2 ARG 140 - HB3 ARG 55 lone 1 62 - 1 - HD3 ARG 140 - HB3 ARG 55 lone 1 62 - 1 - HB3 TYR 117 - HB3 ARG 55 lone 0 68 - 1 - Peak 1413 from aliabs.peaks (3.20, 1.78, 32.59 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * HD3 ARG 55 + HB3 ARG 55 OK 99 100 - 99 - 3.9=89, 3.0/1411=18...(30) HD2 ARG 55 + HB3 ARG 55 OK 97 98 - 99 - 3.9=89, 3.0/1411=18...(30) HD3 ARG 144 - HB3 ARG 55 OK 22 94 - 24 - 1.8/1430=3, 1437=3...(10) HD2 ARG 144 - HB3 ARG 55 OK 19 77 - 25 - 1.8/1437=3, 1437=3...(9) HA LEU 39 - HB3 ARG 55 OK 12 100 - 12 - 2.9/6266=2, 3.8/857=2...(6) HA VAL 73 - HB3 ARG 55 lone 6 99 - 6 - 3.0/6761=1 HD3 ARG 141 - HB3 ARG 55 lone 5 85 - 5 - HD2 ARG 141 - HB3 ARG 55 lone 5 96 - 5 - Peak 1415 from aliabs.peaks (4.71, 1.56, 26.43 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 55 + HG2 ARG 55 OK 97 100 - 97 - 3.9=79, 1404/1.8=18...(25) HA ARG 55 + HG3 ARG 55 OK 97 99 - 97 - 3.9=79, 1403/1.8=18...(25) HA LEU 116 - HG2 ARG 55 lone 1 72 - 1 - HA LEU 116 - HG3 ARG 55 lone 1 71 - 1 - HA SER 127 - HG2 ARG 55 lone 0 68 - 1 - HA SER 127 - HG3 ARG 55 lone 0 66 - 1 - Peak 1416 from aliabs.peaks (1.78, 1.56, 26.43 ppm; 2.77 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 55 + HG2 ARG 55 OK 94 100 - 94 - 3.0=81, 1411/1.8=16...(36) HB3 ARG 55 + HG3 ARG 55 OK 94 99 - 94 - 3.0=81, 1411/1.8=16...(36) HB3 ARG 145 - HG2 ARG 55 lone 8 89 - 9 - HB3 ARG 145 - HG3 ARG 55 lone 8 87 - 9 - HG LEU 39 - HG2 ARG 55 lone 8 85 - 10 - 1402/3.9=1 HG LEU 39 - HG3 ARG 55 lone 8 83 - 10 - 1402/3.9=1 HG LEU 72 - HG2 ARG 55 lone 4 100 - 4 - HG LEU 72 - HG3 ARG 55 lone 4 99 - 4 - HB ILE 83 - HG2 ARG 55 lone 4 77 - 5 - 4.7/10611=2, 4.0/9995=1 HB ILE 83 - HG3 ARG 55 lone 4 75 - 5 - 4.7/10611=2 HB3 MET 59 - HG2 ARG 55 lone 3 98 - 3 - HB3 MET 59 - HG3 ARG 55 lone 3 96 - 3 - HB3 ARG 35 - HG2 ARG 55 lone 1 62 - 1 - HB3 ARG 35 - HG3 ARG 55 lone 1 61 - 1 - HD2 LYS 34 - HG2 ARG 55 lone 1 81 - 1 - HD2 LYS 34 - HG3 ARG 55 lone 1 80 - 1 - Peak 1417 from aliabs.peaks (1.56, 1.56, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 HG3 ARG 55 + HG3 ARG 55 OK 99 99 - 100 Peak 1418 from aliabs.peaks (1.56, 1.56, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 HG3 ARG 55 + HG3 ARG 55 OK 99 99 - 100 Reference assignment not found: HG3 ARG 55 - HG2 ARG 55 Peak 1419 from aliabs.peaks (3.20, 1.56, 26.43 ppm; 3.06 A): 4 out of 22 assignments used, quality = 1.00: * HD2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 - 3.0=100 HD2 ARG 55 + HG3 ARG 55 OK 99 99 - 100 - 3.0=100 HD3 ARG 55 + HG2 ARG 55 OK 98 98 - 100 - 3.0=100 HD3 ARG 55 + HG3 ARG 55 OK 96 96 - 100 - 3.0=100 HD3 ARG 144 - HG2 ARG 55 OK 15 77 - 20 - 1413/3.0=2, 1.8/1431=1...(4) HD3 ARG 144 - HG3 ARG 55 OK 15 75 - 20 - 1413/3.0=2, 1.8/1432=1...(4) HA VAL 73 - HG2 ARG 55 lone 8 100 - 8 - HA VAL 73 - HG3 ARG 55 lone 8 99 - 8 - HD3 ARG 141 - HG2 ARG 55 lone 6 98 - 6 - HD3 ARG 141 - HG3 ARG 55 lone 6 96 - 6 - HD2 ARG 141 - HG2 ARG 55 lone 6 100 - 5 - HD2 ARG 141 - HG3 ARG 55 lone 5 99 - 5 - HA LEU 39 - HG2 ARG 55 lone 5 100 - 5 - HA LEU 39 - HG3 ARG 55 lone 5 99 - 5 - HG3 MET 46 - HG2 ARG 55 lone 1 72 - 1 - HG3 MET 46 - HG3 ARG 55 lone 1 71 - 1 - HD2 ARG 140 - HG2 ARG 55 lone 0 62 - 0 - HD2 ARG 140 - HG3 ARG 55 lone 0 61 - 0 - HD3 ARG 140 - HG2 ARG 55 lone 0 62 - 0 - HD3 ARG 140 - HG3 ARG 55 lone 0 61 - 0 - HB3 TYR 117 - HG2 ARG 55 lone 0 68 - 0 - HB3 TYR 117 - HG3 ARG 55 lone 0 66 - 0 - Peak 1420 from aliabs.peaks (3.20, 1.56, 26.43 ppm; 3.06 A): 4 out of 16 assignments used, quality = 1.00: * HD3 ARG 55 + HG2 ARG 55 OK 100 100 - 100 - 3.0=100 HD3 ARG 55 + HG3 ARG 55 OK 99 99 - 100 - 3.0=100 HD2 ARG 55 + HG2 ARG 55 OK 98 98 - 100 - 3.0=100 HD2 ARG 55 + HG3 ARG 55 OK 96 96 - 100 - 3.0=100 HD3 ARG 144 - HG2 ARG 55 OK 20 94 - 21 - 1413/3.0=2, 1438=2...(7) HD3 ARG 144 - HG3 ARG 55 OK 19 93 - 21 - 1413/3.0=2, 1439=2...(7) HD2 ARG 144 - HG2 ARG 55 OK 17 77 - 22 - 1413/3.0=2, 1438=2...(6) HD2 ARG 144 - HG3 ARG 55 OK 16 75 - 22 - 1413/3.0=2, 1439=2...(6) HA VAL 73 - HG2 ARG 55 lone 8 99 - 8 - HA VAL 73 - HG3 ARG 55 lone 8 98 - 8 - HA LEU 39 - HG2 ARG 55 lone 5 100 - 5 - HA LEU 39 - HG3 ARG 55 lone 5 99 - 5 - HD2 ARG 141 - HG2 ARG 55 lone 5 96 - 5 - HD2 ARG 141 - HG3 ARG 55 lone 5 95 - 5 - HD3 ARG 141 - HG2 ARG 55 lone 5 85 - 5 - HD3 ARG 141 - HG3 ARG 55 lone 5 83 - 5 - Peak 1422 from aliabs.peaks (4.71, 1.56, 26.43 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 55 + HG3 ARG 55 OK 97 100 - 97 - 3.9=79, 1403/1.8=18...(25) HA ARG 55 + HG2 ARG 55 OK 97 99 - 97 - 3.9=79, 1404/1.8=18...(25) HA LEU 116 - HG3 ARG 55 lone 1 72 - 1 - HA LEU 116 - HG2 ARG 55 lone 1 71 - 1 - HA SER 127 - HG3 ARG 55 lone 0 68 - 1 - HA SER 127 - HG2 ARG 55 lone 0 66 - 1 - Peak 1423 from aliabs.peaks (1.78, 1.56, 26.43 ppm; 2.77 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 55 + HG3 ARG 55 OK 94 100 - 94 - 3.0=81, 1411/1.8=16...(36) HB3 ARG 55 + HG2 ARG 55 OK 94 99 - 94 - 3.0=81, 1411/1.8=16...(36) HG LEU 39 - HG3 ARG 55 lone 8 85 - 10 - 1402/3.9=1 HB3 ARG 145 - HG3 ARG 55 lone 8 89 - 9 - HB3 ARG 145 - HG2 ARG 55 lone 8 87 - 9 - HG LEU 39 - HG2 ARG 55 lone 8 83 - 10 - 1402/3.9=1 HG LEU 72 - HG3 ARG 55 lone 4 100 - 4 - HG LEU 72 - HG2 ARG 55 lone 4 99 - 4 - HB ILE 83 - HG3 ARG 55 lone 4 77 - 5 - 4.7/10611=2 HB ILE 83 - HG2 ARG 55 lone 4 75 - 5 - 4.7/10611=2, 4.0/9995=1 HB3 MET 59 - HG3 ARG 55 lone 3 98 - 3 - HB3 MET 59 - HG2 ARG 55 lone 3 96 - 3 - HB3 ARG 35 - HG3 ARG 55 lone 1 62 - 1 - HB3 ARG 35 - HG2 ARG 55 lone 1 61 - 1 - HD2 LYS 34 - HG3 ARG 55 lone 1 81 - 1 - HD2 LYS 34 - HG2 ARG 55 lone 1 80 - 1 - Peak 1424 from aliabs.peaks (1.56, 1.56, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 HG2 ARG 55 + HG2 ARG 55 OK 99 99 - 100 Reference assignment not found: HG2 ARG 55 - HG3 ARG 55 Peak 1425 from aliabs.peaks (1.56, 1.56, 26.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 HG2 ARG 55 + HG2 ARG 55 OK 99 99 - 100 Peak 1426 from aliabs.peaks (3.20, 1.56, 26.43 ppm; 3.06 A): 4 out of 22 assignments used, quality = 1.00: * HD2 ARG 55 + HG3 ARG 55 OK 100 100 - 100 - 3.0=100 HD2 ARG 55 + HG2 ARG 55 OK 99 99 - 100 - 3.0=100 HD3 ARG 55 + HG3 ARG 55 OK 98 98 - 100 - 3.0=100 HD3 ARG 55 + HG2 ARG 55 OK 96 96 - 100 - 3.0=100 HD3 ARG 144 - HG3 ARG 55 OK 15 77 - 20 - 1413/3.0=2, 1.8/1432=1...(4) HD3 ARG 144 - HG2 ARG 55 OK 15 75 - 20 - 1413/3.0=2, 1.8/1431=1...(4) HA VAL 73 - HG2 ARG 55 lone 8 99 - 8 - HA VAL 73 - HG3 ARG 55 lone 8 100 - 8 - HD3 ARG 141 - HG3 ARG 55 lone 6 98 - 6 - HD3 ARG 141 - HG2 ARG 55 lone 6 96 - 6 - HD2 ARG 141 - HG3 ARG 55 lone 6 100 - 5 - HD2 ARG 141 - HG2 ARG 55 lone 5 99 - 5 - HA LEU 39 - HG3 ARG 55 lone 5 100 - 5 - HA LEU 39 - HG2 ARG 55 lone 5 99 - 5 - HG3 MET 46 - HG3 ARG 55 lone 1 72 - 1 - HG3 MET 46 - HG2 ARG 55 lone 1 71 - 1 - HD2 ARG 140 - HG3 ARG 55 lone 0 62 - 0 - HD2 ARG 140 - HG2 ARG 55 lone 0 61 - 0 - HD3 ARG 140 - HG3 ARG 55 lone 0 62 - 0 - HD3 ARG 140 - HG2 ARG 55 lone 0 61 - 0 - HB3 TYR 117 - HG3 ARG 55 lone 0 68 - 0 - HB3 TYR 117 - HG2 ARG 55 lone 0 66 - 0 - Peak 1427 from aliabs.peaks (3.20, 1.56, 26.43 ppm; 3.06 A): 4 out of 16 assignments used, quality = 1.00: * HD3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 - 3.0=100 HD3 ARG 55 + HG2 ARG 55 OK 99 99 - 100 - 3.0=100 HD2 ARG 55 + HG3 ARG 55 OK 98 98 - 100 - 3.0=100 HD2 ARG 55 + HG2 ARG 55 OK 96 96 - 100 - 3.0=100 HD3 ARG 144 - HG3 ARG 55 OK 20 94 - 21 - 1413/3.0=2, 1439=2...(7) HD3 ARG 144 - HG2 ARG 55 OK 19 93 - 21 - 1413/3.0=2, 1438=2...(7) HD2 ARG 144 - HG3 ARG 55 OK 17 77 - 22 - 1413/3.0=2, 1439=2...(6) HD2 ARG 144 - HG2 ARG 55 OK 16 75 - 22 - 1413/3.0=2, 1438=2...(6) HA VAL 73 - HG2 ARG 55 lone 8 98 - 8 - HA VAL 73 - HG3 ARG 55 lone 8 99 - 8 - HA LEU 39 - HG3 ARG 55 lone 5 100 - 5 - HA LEU 39 - HG2 ARG 55 lone 5 99 - 5 - HD2 ARG 141 - HG3 ARG 55 lone 5 96 - 5 - HD2 ARG 141 - HG2 ARG 55 lone 5 95 - 5 - HD3 ARG 141 - HG3 ARG 55 lone 5 85 - 5 - HD3 ARG 141 - HG2 ARG 55 lone 5 83 - 5 - Peak 1429 from aliabs.peaks (4.71, 3.20, 43.06 ppm; 4.33 A): 2 out of 12 assignments used, quality = 1.00: * HA ARG 55 + HD2 ARG 55 OK 96 100 - 96 - 5.3=56, 1406/1.8=21...(23) HA ARG 55 + HD3 ARG 55 OK 88 92 - 96 - 5.3=56, 1405/1.8=21...(23) HA ARG 55 - HD2 ARG 141 lone 3 70 - 4 - HA ARG 55 - HD3 ARG 141 lone 3 59 - 5 - HA LEU 116 - HD2 ARG 55 lone 1 72 - 2 - HA LEU 116 - HD3 ARG 55 lone 1 61 - 2 - HA SER 127 - HD2 ARG 55 lone 1 68 - 1 - HA SER 127 - HD3 ARG 55 lone 1 57 - 1 - HA LEU 116 - HD2 ARG 141 lone 0 43 - 1 - HA LEU 116 - HD3 ARG 141 lone 0 36 - 1 - HA SER 127 - HD2 ARG 141 lone 0 40 - 1 - HA SER 127 - HD3 ARG 141 lone 0 33 - 1 - Peak 1430 from aliabs.peaks (1.78, 3.20, 43.06 ppm; 2.85 A): 2 out of 32 assignments used, quality = 0.94: * HB3 ARG 55 + HD2 ARG 55 OK 80 100 - 80 - 3.9=38, 1411/3.0=11...(30) HB3 ARG 55 + HD3 ARG 55 OK 73 92 - 79 - 3.9=38, 1411/3.0=11...(30) HG LEU 39 - HD2 ARG 55 lone 8 85 - 10 - 846/1.8=2, 2.1/862=2, ~862=1 HB3 ARG 145 - HD2 ARG 55 lone 8 89 - 9 - 3.0/10388=2, 4.0/7892=1 HG LEU 39 - HD3 ARG 55 lone 7 73 - 10 - 846/1.8=2, 2.1/862=2, ~862=1 HB3 ARG 145 - HD3 ARG 55 lone 7 77 - 9 - 3.0/10388=2, ~10388=1 HG LEU 72 - HD2 ARG 55 lone 3 100 - 3 - HG LEU 72 - HD3 ARG 55 lone 3 92 - 4 - HB3 ARG 145 - HD2 ARG 141 lone 3 56 - 5 - 3.0/10388=1 HG LEU 39 - HD2 ARG 141 lone 3 53 - 5 - HG LEU 39 - HD3 ARG 141 lone 2 44 - 5 - HB3 ARG 145 - HD3 ARG 141 lone 2 47 - 5 - 3.0/10388=1 HB3 ARG 55 - HD2 ARG 141 lone 2 70 - 3 - HB3 ARG 55 - HD3 ARG 141 lone 2 59 - 3 - HB3 MET 59 - HD2 ARG 55 lone 2 98 - 2 - HB3 MET 59 - HD3 ARG 55 lone 1 87 - 2 - HG LEU 72 - HD2 ARG 141 lone 1 70 - 2 - HB ILE 83 - HD2 ARG 55 lone 1 77 - 1 - HG LEU 72 - HD3 ARG 141 lone 1 59 - 2 - HB ILE 83 - HD3 ARG 55 lone 1 65 - 1 - HB3 ARG 35 - HD2 ARG 55 lone 1 62 - 1 - HD2 LYS 34 - HD2 ARG 55 lone 1 81 - 1 - HB3 ARG 35 - HD3 ARG 55 lone 0 52 - 1 - HD2 LYS 34 - HD3 ARG 55 lone 0 69 - 1 - HB3 ARG 35 - HD2 ARG 141 lone 0 36 - 1 - HB3 ARG 35 - HD3 ARG 141 lone 0 30 - 1 - HB3 MET 59 - HD2 ARG 141 lone 0 66 - 0 - HB ILE 83 - HD2 ARG 141 lone 0 47 - 0 - HB3 MET 59 - HD3 ARG 141 lone 0 55 - 0 - HD2 LYS 34 - HD2 ARG 141 lone 0 50 - 0 - HB ILE 83 - HD3 ARG 141 lone 0 39 - 0 - HD2 LYS 34 - HD3 ARG 141 lone 0 42 - 0 - Peak 1431 from aliabs.peaks (1.56, 3.20, 43.06 ppm; 2.57 A): 4 out of 40 assignments used, quality = 1.00: * HG2 ARG 55 + HD2 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1430=7...(26) HG3 ARG 55 + HD2 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1430=7...(26) HG2 ARG 55 + HD3 ARG 55 OK 75 92 - 82 - 3.0=63, 3.0/1430=6...(26) HG3 ARG 55 + HD3 ARG 55 OK 75 91 - 82 - 3.0=63, 3.0/1430=6...(26) HB3 LEU 79 - HD2 ARG 55 lone 6 85 - 8 - ~2368=1 HB3 LEU 79 - HD3 ARG 55 lone 6 73 - 8 - ~2368=1 HG2 ARG 145 - HD2 ARG 55 lone 5 94 - 5 - 4.0/10388=1 HG3 ARG 145 - HD2 ARG 55 lone 5 94 - 5 - 4.0/10388=1 HG2 ARG 145 - HD3 ARG 55 lone 4 83 - 5 - 4.0/10388=1 HG3 ARG 145 - HD3 ARG 55 lone 4 83 - 5 - 4.0/10388=1 HD2 LYS 76 - HD2 ARG 55 lone 4 62 - 6 - ~9861=3 HD2 LYS 76 - HD3 ARG 55 lone 3 52 - 6 - ~9861=3 HG2 ARG 55 - HD2 ARG 141 lone 3 70 - 4 - HG3 ARG 55 - HD2 ARG 141 lone 3 69 - 4 - HG2 ARG 55 - HD3 ARG 141 lone 2 59 - 4 - HG3 ARG 55 - HD3 ARG 141 lone 2 59 - 4 - HG2 ARG 145 - HD2 ARG 141 lone 1 61 - 2 - HG3 ARG 145 - HD2 ARG 141 lone 1 61 - 2 - HB2 LEU 126 - HD2 ARG 55 lone 1 89 - 1 - HG2 ARG 145 - HD3 ARG 141 lone 1 52 - 2 - HG3 ARG 145 - HD3 ARG 141 lone 1 52 - 2 - HB2 LEU 126 - HD3 ARG 55 lone 1 77 - 1 - HB3 LEU 79 - HD2 ARG 141 lone 1 53 - 2 - HG2 ARG 109 - HD2 ARG 55 lone 1 100 - 1 - HG2 ARG 109 - HD3 ARG 55 lone 1 90 - 1 - HB3 LEU 79 - HD3 ARG 141 lone 1 44 - 2 - HB2 LEU 126 - HD2 ARG 141 lone 1 56 - 1 - HB2 LEU 126 - HD3 ARG 141 lone 0 47 - 1 - HD2 LYS 85 - HD2 ARG 55 lone 0 94 - 0 - HD2 LYS 85 - HD3 ARG 55 lone 0 83 - 0 - HD2 LYS 85 - HD2 ARG 141 lone 0 61 - 0 - HG2 ARG 109 - HD2 ARG 141 lone 0 68 - 0 - HD3 LYS 85 - HD2 ARG 55 lone 0 62 - 0 - HD2 LYS 85 - HD3 ARG 141 lone 0 52 - 0 - HG2 ARG 109 - HD3 ARG 141 lone 0 58 - 0 - HD3 LYS 85 - HD3 ARG 55 lone 0 52 - 0 - HD2 LYS 76 - HD2 ARG 141 lone 0 36 - 0 - HD3 LYS 85 - HD2 ARG 141 lone 0 36 - 0 - HD2 LYS 76 - HD3 ARG 141 lone 0 30 - 0 - HD3 LYS 85 - HD3 ARG 141 lone 0 30 - 0 - Peak 1432 from aliabs.peaks (1.56, 3.20, 43.06 ppm; 2.57 A): 4 out of 36 assignments used, quality = 1.00: * HG3 ARG 55 + HD2 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1430=7...(26) HG2 ARG 55 + HD2 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1430=7...(26) HG3 ARG 55 + HD3 ARG 55 OK 75 92 - 82 - 3.0=63, 3.0/1430=6...(26) HG2 ARG 55 + HD3 ARG 55 OK 75 91 - 82 - 3.0=63, 3.0/1430=6...(26) HB3 LEU 79 - HD2 ARG 55 lone 7 92 - 8 - ~2368=1 HB3 LEU 79 - HD3 ARG 55 lone 6 80 - 8 - ~2368=1 HG2 ARG 145 - HD2 ARG 55 lone 4 89 - 5 - 4.0/10388=1 HG3 ARG 145 - HD2 ARG 55 lone 4 89 - 5 - 4.0/10388=1 HD2 LYS 76 - HD2 ARG 55 lone 4 72 - 6 - ~9861=3 HD2 LYS 76 - HD3 ARG 55 lone 4 61 - 6 - ~9861=3 HG2 ARG 145 - HD3 ARG 55 lone 4 77 - 5 - 4.0/10388=1 HG3 ARG 145 - HD3 ARG 55 lone 4 77 - 5 - 4.0/10388=1 HG3 ARG 55 - HD2 ARG 141 lone 3 70 - 4 - HG2 ARG 55 - HD2 ARG 141 lone 3 69 - 4 - HG3 ARG 55 - HD3 ARG 141 lone 2 59 - 4 - HG2 ARG 55 - HD3 ARG 141 lone 2 59 - 4 - HG2 ARG 145 - HD2 ARG 141 lone 1 56 - 2 - HG3 ARG 145 - HD2 ARG 141 lone 1 56 - 2 - HB2 LEU 126 - HD2 ARG 55 lone 1 81 - 1 - HB3 LEU 79 - HD2 ARG 141 lone 1 59 - 2 - HG2 ARG 145 - HD3 ARG 141 lone 1 47 - 2 - HG3 ARG 145 - HD3 ARG 141 lone 1 47 - 2 - HB2 LEU 126 - HD3 ARG 55 lone 1 69 - 1 - HG2 ARG 109 - HD2 ARG 55 lone 1 98 - 1 - HB3 LEU 79 - HD3 ARG 141 lone 1 49 - 2 - HG2 ARG 109 - HD3 ARG 55 lone 1 87 - 1 - HB2 LEU 126 - HD2 ARG 141 lone 0 50 - 1 - HD2 LYS 85 - HD2 ARG 55 lone 0 89 - 0 - HD2 LYS 85 - HD3 ARG 55 lone 0 77 - 0 - HB2 LEU 126 - HD3 ARG 141 lone 0 42 - 1 - HD2 LYS 85 - HD2 ARG 141 lone 0 56 - 0 - HG2 ARG 109 - HD2 ARG 141 lone 0 66 - 0 - HD2 LYS 76 - HD2 ARG 141 lone 0 43 - 1 - HD2 LYS 85 - HD3 ARG 141 lone 0 47 - 0 - HG2 ARG 109 - HD3 ARG 141 lone 0 55 - 0 - HD2 LYS 76 - HD3 ARG 141 lone 0 36 - 0 - Peak 1433 from aliabs.peaks (3.20, 3.20, 43.06 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 55 + HD2 ARG 55 OK 100 100 - 100 HD3 ARG 55 + HD3 ARG 55 OK 87 87 - 100 HD2 ARG 141 + HD2 ARG 141 OK 70 70 - 100 HD3 ARG 141 + HD3 ARG 141 OK 55 55 - 100 Peak 1434 from aliabs.peaks (3.20, 3.20, 43.06 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HD2 ARG 55 + HD2 ARG 55 OK 98 98 - 100 HD3 ARG 55 + HD3 ARG 55 OK 92 92 - 100 HD2 ARG 141 + HD2 ARG 141 OK 64 64 - 100 HD3 ARG 141 - HD3 ARG 141 OK 44 44 - 100 Reference assignment not found: HD3 ARG 55 - HD2 ARG 55 Peak 1436 from aliabs.peaks (4.71, 3.20, 43.06 ppm; 4.33 A): 2 out of 15 assignments used, quality = 1.00: * HA ARG 55 + HD3 ARG 55 OK 96 100 - 96 - 5.3=56, 1405/1.8=21...(23) HA ARG 55 + HD2 ARG 55 OK 88 92 - 96 - 5.3=56, 1406/1.8=21...(23) HA ARG 55 - HD3 ARG 144 OK 11 50 - 21 - 1405/1.8=4, 2.9/1413=3...(10) HA ARG 55 - HD2 ARG 141 lone 3 55 - 5 - HA ARG 55 - HD3 ARG 141 lone 2 33 - 5 - HA LEU 116 - HD3 ARG 55 lone 1 72 - 2 - HA LEU 116 - HD2 ARG 55 lone 1 61 - 2 - HA SER 127 - HD3 ARG 55 lone 1 68 - 1 - HA SER 127 - HD2 ARG 55 lone 1 57 - 1 - HA LEU 116 - HD3 ARG 144 lone 0 30 - 1 - HA LEU 116 - HD2 ARG 141 lone 0 33 - 1 - HA SER 127 - HD3 ARG 144 lone 0 27 - 1 - HA SER 127 - HD2 ARG 141 lone 0 30 - 1 - HA LEU 116 - HD3 ARG 141 lone 0 19 - 1 - HA SER 127 - HD3 ARG 141 lone 0 18 - 1 - Peak 1437 from aliabs.peaks (1.78, 3.20, 43.06 ppm; 2.85 A): 2 out of 40 assignments used, quality = 0.94: * HB3 ARG 55 + HD3 ARG 55 OK 80 100 - 80 - 3.9=38, 1411/3.0=11...(30) HB3 ARG 55 + HD2 ARG 55 OK 73 92 - 80 - 3.9=38, 1411/3.0=11...(30) HG LEU 39 - HD3 ARG 55 lone 8 85 - 10 - 846/1.8=2, 2.1/862=2, ~862=1 HB3 ARG 145 - HD3 ARG 55 lone 8 89 - 9 - 3.0/10388=2, ~10388=1 HG LEU 39 - HD2 ARG 55 lone 7 73 - 10 - 846/1.8=2, 2.1/862=2, ~862=1 HB3 ARG 55 - HD3 ARG 144 poor 7 50 - 14 - 1412/1.8=2, 1413=2, 2.9/1406=1 HB3 ARG 145 - HD2 ARG 55 lone 7 77 - 9 - 3.0/10388=2, ~10388=1 HG LEU 72 - HD3 ARG 55 lone 4 100 - 4 - HG LEU 72 - HD2 ARG 55 lone 3 92 - 3 - HB3 ARG 145 - HD2 ARG 141 lone 2 43 - 5 - HG LEU 39 - HD2 ARG 141 lone 2 41 - 5 - HB3 MET 59 - HD3 ARG 55 lone 2 98 - 2 - HB3 ARG 55 - HD2 ARG 141 lone 2 55 - 3 - HB3 MET 59 - HD2 ARG 55 lone 1 87 - 2 - HG LEU 39 - HD3 ARG 141 lone 1 24 - 5 - HB3 ARG 145 - HD3 ARG 141 lone 1 26 - 4 - HB ILE 83 - HD3 ARG 55 lone 1 77 - 1 - HB3 ARG 145 - HD3 ARG 144 lone 1 39 - 3 - 4.0/7893=2 HB3 ARG 55 - HD3 ARG 141 lone 1 33 - 3 - HG LEU 72 - HD2 ARG 141 lone 1 55 - 2 - HG LEU 72 - HD3 ARG 144 lone 1 50 - 2 - HB ILE 83 - HD2 ARG 55 lone 1 65 - 1 - HB3 ARG 35 - HD3 ARG 55 lone 1 62 - 1 - HD2 LYS 34 - HD3 ARG 55 lone 1 81 - 1 - HG LEU 72 - HD3 ARG 141 lone 1 33 - 2 - HB3 ARG 35 - HD2 ARG 55 lone 0 52 - 1 - HD2 LYS 34 - HD2 ARG 55 lone 0 69 - 1 - HG LEU 39 - HD3 ARG 144 lone 0 37 - 1 - HD2 LYS 34 - HD3 ARG 144 lone 0 34 - 1 - HB3 ARG 35 - HD2 ARG 141 lone 0 27 - 1 - HB3 MET 59 - HD3 ARG 144 lone 0 46 - 0 - HB3 MET 59 - HD2 ARG 141 lone 0 51 - 0 - HB ILE 83 - HD3 ARG 144 lone 0 32 - 0 - HB3 ARG 35 - HD3 ARG 141 lone 0 16 - 1 - HB ILE 83 - HD2 ARG 141 lone 0 35 - 0 - HD2 LYS 34 - HD2 ARG 141 lone 0 38 - 0 - HB3 MET 59 - HD3 ARG 141 lone 0 31 - 0 - HB3 ARG 35 - HD3 ARG 144 lone 0 25 - 0 - HB ILE 83 - HD3 ARG 141 lone 0 21 - 0 - HD2 LYS 34 - HD3 ARG 141 lone 0 23 - 0 - Peak 1438 from aliabs.peaks (1.56, 3.20, 43.06 ppm; 2.57 A): 4 out of 50 assignments used, quality = 1.00: * HG2 ARG 55 + HD3 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1437=7...(26) HG3 ARG 55 + HD3 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1437=7...(26) HG2 ARG 55 + HD2 ARG 55 OK 75 92 - 82 - 3.0=63, 3.0/1430=6...(26) HG3 ARG 55 + HD2 ARG 55 OK 75 91 - 82 - 3.0=63, 3.0/1430=6...(26) HG2 ARG 55 - HD3 ARG 144 poor 7 50 - 15 - 1420=1, 1419/1.8=1, 3.0/1413=1 HG3 ARG 55 - HD3 ARG 144 poor 7 49 - 15 - 1427=1, 1426/1.8=1, 3.0/1413=1 HB3 LEU 79 - HD3 ARG 55 lone 7 85 - 8 - ~2368=1 HB3 LEU 79 - HD2 ARG 55 lone 6 73 - 8 - ~2368=1 HG2 ARG 145 - HD3 ARG 55 lone 4 94 - 4 - HG3 ARG 145 - HD3 ARG 55 lone 4 94 - 4 - HD2 LYS 76 - HD3 ARG 55 lone 4 62 - 6 - ~9861=3 HG2 ARG 145 - HD2 ARG 55 lone 4 83 - 4 - 4.0/10388=1 HG3 ARG 145 - HD2 ARG 55 lone 4 83 - 4 - 4.0/10388=1 HD2 LYS 76 - HD2 ARG 55 lone 3 52 - 6 - ~9861=3 HG2 ARG 55 - HD2 ARG 141 lone 2 55 - 4 - HG3 ARG 55 - HD2 ARG 141 lone 2 54 - 4 - HG2 ARG 55 - HD3 ARG 141 lone 1 33 - 4 - HG3 ARG 55 - HD3 ARG 141 lone 1 33 - 4 - HB2 LEU 126 - HD3 ARG 55 lone 1 89 - 1 - HG2 ARG 145 - HD2 ARG 141 lone 1 47 - 2 - HG3 ARG 145 - HD2 ARG 141 lone 1 47 - 2 - HG2 ARG 109 - HD3 ARG 55 lone 1 100 - 1 - HG3 ARG 145 - HD3 ARG 144 lone 1 43 - 2 - 4.9/7893=1 HG2 ARG 145 - HD3 ARG 144 lone 1 43 - 2 - 4.9/7893=1 HB2 LEU 126 - HD2 ARG 55 lone 1 77 - 1 - HG2 ARG 109 - HD2 ARG 55 lone 1 90 - 1 - HB3 LEU 79 - HD2 ARG 141 lone 1 41 - 2 - HB3 LEU 79 - HD3 ARG 144 lone 1 37 - 2 - HG2 ARG 145 - HD3 ARG 141 lone 1 29 - 2 - HG3 ARG 145 - HD3 ARG 141 lone 1 29 - 2 - HG2 ARG 109 - HD3 ARG 144 lone 1 48 - 1 - HB2 LEU 126 - HD3 ARG 144 lone 0 39 - 1 - HD2 LYS 85 - HD3 ARG 55 lone 0 94 - 0 - HB2 LEU 126 - HD2 ARG 141 lone 0 43 - 1 - HB3 LEU 79 - HD3 ARG 141 lone 0 24 - 2 - HD2 LYS 76 - HD3 ARG 144 lone 0 25 - 1 - HD2 LYS 85 - HD3 ARG 144 lone 0 43 - 1 - HD2 LYS 85 - HD2 ARG 55 lone 0 83 - 0 - HD3 LYS 85 - HD3 ARG 55 lone 0 62 - 0 - HD2 LYS 85 - HD2 ARG 141 lone 0 47 - 0 - HG2 ARG 109 - HD2 ARG 141 lone 0 53 - 0 - HD3 LYS 85 - HD2 ARG 55 lone 0 52 - 0 - HB2 LEU 126 - HD3 ARG 141 lone 0 26 - 1 - HD3 LYS 85 - HD3 ARG 144 lone 0 25 - 1 - HD2 LYS 76 - HD2 ARG 141 lone 0 27 - 1 - HD2 LYS 85 - HD3 ARG 141 lone 0 29 - 0 - HD3 LYS 85 - HD2 ARG 141 lone 0 27 - 0 - HG2 ARG 109 - HD3 ARG 141 lone 0 32 - 0 - HD2 LYS 76 - HD3 ARG 141 lone 0 16 - 0 - HD3 LYS 85 - HD3 ARG 141 lone 0 16 - 0 - Peak 1439 from aliabs.peaks (1.56, 3.20, 43.06 ppm; 2.57 A): 4 out of 45 assignments used, quality = 1.00: * HG3 ARG 55 + HD3 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1437=7...(26) HG2 ARG 55 + HD3 ARG 55 OK 82 100 - 82 - 3.0=63, 3.0/1437=7...(26) HG3 ARG 55 + HD2 ARG 55 OK 75 92 - 82 - 3.0=63, 3.0/1430=6...(26) HG2 ARG 55 + HD2 ARG 55 OK 75 91 - 82 - 3.0=63, 3.0/1430=6...(26) HG3 ARG 55 - HD3 ARG 144 poor 7 50 - 15 - 1427=1, 1426/1.8=1, 3.0/1413=1 HG2 ARG 55 - HD3 ARG 144 poor 7 49 - 15 - 1420=1, 1419/1.8=1, 3.0/1413=1 HB3 LEU 79 - HD3 ARG 55 lone 7 92 - 8 - ~2368=1 HB3 LEU 79 - HD2 ARG 55 lone 6 80 - 8 - ~2368=1 HD2 LYS 76 - HD3 ARG 55 lone 5 72 - 6 - ~9861=3 HG2 ARG 145 - HD3 ARG 55 lone 4 89 - 4 - HG3 ARG 145 - HD3 ARG 55 lone 4 89 - 4 - HD2 LYS 76 - HD2 ARG 55 lone 4 61 - 6 - ~9861=3 HG3 ARG 145 - HD2 ARG 55 lone 3 77 - 4 - 4.0/10388=1 HG2 ARG 145 - HD2 ARG 55 lone 3 77 - 4 - 4.0/10388=1 HG3 ARG 55 - HD2 ARG 141 lone 2 55 - 4 - HG2 ARG 55 - HD2 ARG 141 lone 2 54 - 4 - HG3 ARG 55 - HD3 ARG 141 lone 1 33 - 4 - HG2 ARG 55 - HD3 ARG 141 lone 1 33 - 4 - HB2 LEU 126 - HD3 ARG 55 lone 1 81 - 1 - HG2 ARG 145 - HD2 ARG 141 lone 1 43 - 2 - HG3 ARG 145 - HD2 ARG 141 lone 1 43 - 2 - HB3 LEU 79 - HD2 ARG 141 lone 1 45 - 2 - HG2 ARG 109 - HD3 ARG 55 lone 1 98 - 1 - HG3 ARG 145 - HD3 ARG 144 lone 1 39 - 2 - 4.9/7893=1 HG2 ARG 145 - HD3 ARG 144 lone 1 39 - 2 - 4.9/7893=1 HB2 LEU 126 - HD2 ARG 55 lone 1 69 - 1 - HB3 LEU 79 - HD3 ARG 144 lone 1 41 - 2 - HG2 ARG 109 - HD2 ARG 55 lone 1 87 - 1 - HG2 ARG 109 - HD3 ARG 144 lone 0 46 - 1 - HG2 ARG 145 - HD3 ARG 141 lone 0 26 - 2 - HG3 ARG 145 - HD3 ARG 141 lone 0 26 - 2 - HD2 LYS 76 - HD3 ARG 144 lone 0 30 - 2 - HB3 LEU 79 - HD3 ARG 141 lone 0 27 - 2 - HB2 LEU 126 - HD3 ARG 144 lone 0 34 - 1 - HD2 LYS 85 - HD3 ARG 55 lone 0 89 - 0 - HD2 LYS 85 - HD2 ARG 55 lone 0 77 - 0 - HD2 LYS 85 - HD3 ARG 144 lone 0 39 - 1 - HB2 LEU 126 - HD2 ARG 141 lone 0 38 - 1 - HD2 LYS 76 - HD2 ARG 141 lone 0 33 - 1 - HG2 ARG 109 - HD2 ARG 141 lone 0 51 - 0 - HD2 LYS 85 - HD2 ARG 141 lone 0 43 - 0 - HB2 LEU 126 - HD3 ARG 141 lone 0 23 - 1 - HD2 LYS 85 - HD3 ARG 141 lone 0 26 - 0 - HG2 ARG 109 - HD3 ARG 141 lone 0 31 - 0 - HD2 LYS 76 - HD3 ARG 141 lone 0 19 - 0 - Peak 1440 from aliabs.peaks (3.20, 3.20, 43.06 ppm; diagonal): 3 out of 5 assignments used, quality = 1.00: HD3 ARG 55 + HD3 ARG 55 OK 98 98 - 100 HD2 ARG 55 + HD2 ARG 55 OK 92 92 - 100 HD2 ARG 141 + HD2 ARG 141 OK 55 55 - 100 HD3 ARG 144 - HD3 ARG 144 OK 32 32 - 100 HD3 ARG 141 - HD3 ARG 141 OK 31 31 - 100 Reference assignment not found: HD2 ARG 55 - HD3 ARG 55 Peak 1441 from aliabs.peaks (3.20, 3.20, 43.06 ppm; diagonal): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 HD2 ARG 55 + HD2 ARG 55 OK 87 87 - 100 HD2 ARG 141 + HD2 ARG 141 OK 49 49 - 100 HD3 ARG 144 - HD3 ARG 144 OK 43 43 - 100 HD3 ARG 141 - HD3 ARG 141 OK 24 24 - 100 Peak 1444 from aliabs.peaks (4.34, 4.34, 56.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HA ILE 56 OK 100 100 - 100 Peak 1446 from aliabs.peaks (0.89, 4.34, 56.11 ppm; 5.35 A): 5 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.2=100 QG2 ILE 136 + HA ILE 56 OK 56 99 - 57 - 9683/4.2=18, 1453/3.0=8...(15) QG2 ILE 101 + HA ILE 56 OK 55 100 - 55 - 1458=8, 1453/3.0=7...(23) QD1 ILE 101 + HA ILE 56 OK 52 99 - 53 - 3.1/1458=8, 1453/3.0=7...(22) QD1 LEU 97 + HA ILE 56 OK 51 98 - 52 - 9129/3.0=13, 1474/3.8=6...(19) Peak 1452 from aliabs.peaks (1.99, 1.99, 36.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HB ILE 56 OK 100 100 - 100 Peak 1453 from aliabs.peaks (0.89, 1.99, 36.97 ppm; 4.37 A): 5 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.1=100 QG2 ILE 136 + HB ILE 56 OK 57 99 - 58 - 9683/3.2=17, 3.0/10341=7...(17) QD1 LEU 97 + HB ILE 56 OK 55 98 - 56 - 9129=14, 1481/3.2=5...(24) QG2 ILE 101 + HB ILE 56 OK 51 100 - 51 - 1458/3.0=6, 1459=5...(25) QD1 ILE 101 + HB ILE 56 OK 50 99 - 50 - 1481/3.2=5, 3.1/1459=5...(27) Peak 1454 from aliabs.peaks (1.19, 1.99, 36.97 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HB3 LEU 108 + HB ILE 56 OK 81 98 - 83 - ~10223=22, 3.2/10170=14...(26) QD1 LEU 26 + HB ILE 56 OK 75 85 - 87 - ~10595=41, ~10428=41...(19) HG13 ILE 56 + HB ILE 56 OK 72 72 - 100 - 3.0=100 QD1 LEU 69 - HB ILE 56 OK 38 94 - 41 - 10917/3.2=6, 9932/3.0=5...(16) HB2 LEU 72 - HB ILE 56 OK 30 98 - 30 - ~11009=3, 8255/4.8=3...(13) QG2 THR 18 - HB ILE 56 OK 16 100 - 16 - 1820/10634=3...(5) Peak 1455 from aliabs.peaks (1.20, 1.99, 36.97 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 QD1 LEU 26 + HB ILE 56 OK 89 100 - 89 - ~10595=41, ~10428=41...(20) HB3 LEU 108 + HB ILE 56 OK 78 92 - 85 - ~10223=22, 3.2/10170=14...(26) HG12 ILE 56 + HB ILE 56 OK 72 72 - 100 - 3.0=100 QG2 THR 107 - HB ILE 56 OK 24 62 - 38 - 3.2/9250=8, ~9243=6...(12) Peak 1456 from aliabs.peaks (0.65, 1.99, 36.97 ppm; 5.16 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.2=100 QD2 LEU 64 + HB ILE 56 OK 88 98 - 90 - 10916/3.0=21...(24) QD1 LEU 126 + HB ILE 56 OK 47 100 - 46 - 9495=7, 2.1/10683=5...(20) QD2 LEU 79 - HB ILE 56 OK 20 77 - 26 - 8735=4, ~10133=3...(9) Peak 1458 from aliabs.peaks (4.34, 0.89, 17.29 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 HA TYR 70 - QG2 ILE 56 OK 36 100 - 36 - ~4693=7, 1458=6...(13) HA ILE 56 - QG2 ILE 101 OK 30 99 - 30 - 3.0/1459=4, 3.8/8251=3...(11) HA TYR 70 - QG2 ILE 101 lone 9 98 - 9 - 11538/3343=2, 11538/4.1=1 HA PRO 12 - QG2 ILE 56 lone 6 85 - 7 - ~76=1, ~84=1, 8400/9901=1 HA PRO 12 - QG2 ILE 101 lone 2 83 - 2 - Peak 1459 from aliabs.peaks (1.99, 0.89, 17.29 ppm; 2.73 A): 1 out of 14 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 2.1=100 HB ILE 56 - QG2 ILE 101 OK 22 99 - 22 - 3.0/1458=3, 3.2/1463=2...(7) HB3 ARG 124 - QG2 ILE 56 OK 20 96 - 20 - 3.8/10143=3, 1.8/9485=3...(10) HB2 GLN 111 - QG2 ILE 101 OK 15 92 - 17 - 1.8/11025=3, 11023=2...(4) HB2 GLN 111 - QG2 ILE 56 OK 15 94 - 15 - 1.8/11025=4, 11023=2...(6) QE MET 11 - QG2 ILE 56 OK 13 92 - 14 - 3.3/9186=3, 44/2.1=2, 4.2/1459=2 QE MET 11 - QG2 ILE 101 lone 6 89 - 7 - 3.3/9186=2, ~9181=1 HB3 GLU 75 - QG2 ILE 56 lone 5 89 - 5 - HB3 ARG 124 - QG2 ILE 101 lone 5 94 - 5 - HG3 PRO 52 - QG2 ILE 101 lone 4 70 - 5 - HB3 GLU 75 - QG2 ILE 101 lone 3 86 - 4 - 9850/10135=1 HB2 GLU 142 - QG2 ILE 101 lone 3 97 - 3 - ~10182=1 HG3 PRO 52 - QG2 ILE 56 lone 3 72 - 4 - HB2 GLU 142 - QG2 ILE 56 lone 3 99 - 2 - Peak 1460 from aliabs.peaks (0.89, 0.89, 17.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + QG2 ILE 56 OK 100 100 - 100 QG2 ILE 101 + QG2 ILE 101 OK 99 99 - 100 Peak 1461 from aliabs.peaks (1.19, 0.89, 17.29 ppm; 2.81 A): 2 out of 14 assignments used, quality = 0.93: * HG12 ILE 56 + QG2 ILE 56 OK 83 100 - 83 - 3.2=67, 2.1/1463=22...(10) HG13 ILE 56 + QG2 ILE 56 OK 60 72 - 83 - 3.2=67, 2.1/1463=22...(10) HB3 LEU 108 - QG2 ILE 56 OK 24 98 - 25 - 3.0/11010=4, ~10223=3...(9) QD1 LEU 26 - QG2 ILE 56 OK 24 85 - 29 - ~10595=7, ~10428=7...(9) HG12 ILE 56 - QG2 ILE 101 OK 19 99 - 19 - 2.1/1463=3, 3.0/1459=2...(7) QD1 LEU 69 - QG2 ILE 101 OK 16 92 - 18 - 2039/2.1=2, 9933/3.2=1...(5) QD1 LEU 69 - QG2 ILE 56 OK 14 94 - 14 - 10917/3.1=2, 9932/3.2=1 HG13 ILE 56 - QG2 ILE 101 OK 13 70 - 18 - 2.1/1463=3, 3.0/1459=2...(6) HB2 LEU 72 - QG2 ILE 56 OK 10 98 - 10 - 4.4/10604=3, 3.0/11009=1 QD1 LEU 26 - QG2 ILE 101 lone 7 83 - 9 - 2.1/10908=2 HB2 LEU 72 - QG2 ILE 101 lone 5 96 - 6 - HB3 LEU 108 - QG2 ILE 101 lone 4 96 - 4 - QG2 THR 18 - QG2 ILE 56 lone 4 100 - 4 - QG2 THR 18 - QG2 ILE 101 lone 1 98 - 1 - Peak 1462 from aliabs.peaks (1.20, 0.89, 17.29 ppm; 2.70 A): 3 out of 10 assignments used, quality = 0.93: * HG13 ILE 56 + QG2 ILE 56 OK 78 100 - 78 - 3.2=60, 2.1/1463=20...(10) HG12 ILE 56 + QG2 ILE 56 OK 56 72 - 77 - 3.2=60, 2.1/1463=20...(10) QD1 LEU 26 + QG2 ILE 56 OK 28 100 - 29 - ~10595=6, ~10428=6...(8) HB3 LEU 108 - QG2 ILE 56 OK 24 92 - 27 - 1462=4, 3.0/11010=4...(9) HG13 ILE 56 - QG2 ILE 101 OK 18 99 - 18 - 2.1/1463=3, 3.0/1459=2...(6) HG12 ILE 56 - QG2 ILE 101 OK 11 70 - 16 - 2.1/1463=3, 3.0/1459=2...(4) QD1 LEU 26 - QG2 ILE 101 lone 9 98 - 10 - 2.1/10908=2, 10548/7160=1 QG2 THR 107 - QG2 ILE 101 poor 9 60 - 15 - 2.1/10429=3, 9245=3...(6) QG2 THR 107 - QG2 ILE 56 lone 5 62 - 8 - 2.1/10429=1, 9245=1 HB3 LEU 108 - QG2 ILE 101 lone 3 89 - 4 - Peak 1463 from aliabs.peaks (0.65, 0.89, 17.29 ppm; 3.03 A): 2 out of 8 assignments used, quality = 0.99: * QD1 ILE 56 + QG2 ILE 56 OK 98 100 - 98 - 3.1=94, 2.1/1461=15...(16) QD2 LEU 64 + QG2 ILE 56 OK 59 98 - 61 - 10916/3.2=9, 1846=9...(24) QD1 ILE 56 - QG2 ILE 101 OK 28 99 - 28 - 1481=3, 2.1/1462=3...(8) QD1 LEU 126 - QG2 ILE 56 OK 17 100 - 17 - 9495/2.1=3, 1470/3.2=2...(5) QD2 LEU 64 - QG2 ILE 101 OK 13 96 - 14 - 10623/3.2=1, 10916/9245=1 QD2 LEU 79 - QG2 ILE 56 poor 9 77 - 12 - 2.1/10133=2, 8735/2.1=1 QD2 LEU 79 - QG2 ILE 101 poor 8 74 - 11 - 2.1/10133=2, ~10177=2 QD1 LEU 126 - QG2 ILE 101 lone 7 99 - 7 - Peak 1466 from aliabs.peaks (1.99, 1.19, 26.58 ppm; 5.11 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.0=100 HB3 ARG 124 + HG12 ILE 56 OK 48 96 - 50 - ~10597=9, 9483/2.1=9...(13) HB2 GLN 111 - HG12 ILE 56 OK 42 94 - 44 - ~11024=6, 11023/3.2=6...(16) QE MET 11 - HG12 ILE 56 OK 28 92 - 31 - ~9186=6, 1480/2.1=5...(10) HB3 GLU 75 - HG12 ILE 56 OK 12 89 - 13 - 1480/2.1=4, ~2204=1...(5) HG3 PRO 52 - HG12 ILE 56 lone 7 72 - 10 - 11023/3.2=2, 9285/9286=1 HB2 GLU 142 - HG12 ILE 56 lone 7 99 - 7 - 1480/2.1=1 Peak 1467 from aliabs.peaks (0.89, 1.19, 26.58 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.2=100 QG2 ILE 136 + HG12 ILE 56 OK 54 99 - 54 - 9683/2.1=21, ~9681=9...(13) QD1 LEU 97 - HG12 ILE 56 OK 45 98 - 46 - 9129/3.0=11, 1481/2.1=6...(20) QD1 ILE 101 - HG12 ILE 56 OK 40 99 - 40 - 1481/2.1=6, 1453/3.0=5...(20) QG2 ILE 101 - HG12 ILE 56 OK 39 100 - 39 - 1481/2.1=6, 1458/3.8=5...(15) Peak 1468 from aliabs.peaks (1.19, 1.19, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 Peak 1469 from aliabs.peaks (1.20, 1.19, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.72: HG12 ILE 56 + HG12 ILE 56 OK 72 72 - 100 Reference assignment not found: HG13 ILE 56 - HG12 ILE 56 Peak 1470 from aliabs.peaks (0.65, 1.19, 26.58 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 + HG12 ILE 56 OK 77 98 - 78 - 10916/1.8=21, 11375=19...(20) QD1 LEU 126 - HG12 ILE 56 OK 21 100 - 21 - 9495/3.0=5, 1463/3.2=3...(8) QD2 LEU 79 - HG12 ILE 56 OK 10 77 - 13 - 8735/3.0=2, 1463/3.2=2...(7) Peak 1473 from aliabs.peaks (1.99, 1.20, 26.58 ppm; 4.90 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.0=100 HB3 ARG 124 + HG13 ILE 56 OK 46 96 - 48 - ~10597=9, 9483/2.1=8...(13) HB2 GLN 111 - HG13 ILE 56 OK 39 94 - 41 - ~11024=6, 11023/3.2=6...(16) QE MET 11 - HG13 ILE 56 OK 26 92 - 29 - ~9186=5, 1480/2.1=4...(10) HB3 GLU 75 - HG13 ILE 56 OK 11 89 - 12 - 1480/2.1=3, ~2204=1...(5) HG3 PRO 52 - HG13 ILE 56 lone 6 72 - 9 - 11023/3.2=2, 9285/9286=1 HB2 GLU 142 - HG13 ILE 56 lone 6 99 - 6 - 1480/2.1=1 Peak 1474 from aliabs.peaks (0.89, 1.20, 26.58 ppm; 4.40 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.2=100 QG2 ILE 136 + HG13 ILE 56 OK 53 99 - 54 - 9683/2.1=21, ~9681=9...(13) QD1 LEU 97 + HG13 ILE 56 OK 45 98 - 46 - 9129/3.0=11, 1481/2.1=6...(21) QD1 ILE 101 - HG13 ILE 56 OK 40 99 - 40 - 1481/2.1=6, 1453/3.0=5...(20) QG2 ILE 101 - HG13 ILE 56 OK 39 100 - 39 - 1481/2.1=6, 1458/3.8=5...(15) Peak 1475 from aliabs.peaks (1.19, 1.20, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.72: HG13 ILE 56 + HG13 ILE 56 OK 72 72 - 100 Reference assignment not found: HG12 ILE 56 - HG13 ILE 56 Peak 1476 from aliabs.peaks (1.20, 1.20, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Peak 1477 from aliabs.peaks (0.65, 1.20, 26.58 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 + HG13 ILE 56 OK 75 98 - 77 - 11375=18, 11375/1.8=17...(20) QD1 LEU 126 - HG13 ILE 56 OK 20 100 - 20 - 9495/3.0=5, 1463/3.2=3...(9) QD2 LEU 79 - HG13 ILE 56 poor 10 77 - 12 - 8735/3.0=3, 1463/3.2=2...(7) Peak 1479 from aliabs.peaks (4.34, 0.65, 10.93 ppm; 5.85 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 4.2=100 HA TYR 70 + QD1 ILE 56 OK 71 100 - 71 - 3.1/4693=34, 4.7/8260=24...(15) HA PRO 12 - QD1 ILE 56 poor 10 85 - 11 - 4604/4693=3, 9371/9393=2...(4) Peak 1480 from aliabs.peaks (1.99, 0.65, 10.93 ppm; 5.52 A): 4 out of 7 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 3.2=100 HB3 ARG 124 + QD1 ILE 56 OK 66 96 - 68 - 3.0/10597=15...(17) HB2 GLN 111 + QD1 ILE 56 OK 54 94 - 57 - 2.9/10181=8, 1473/2.1=7...(19) QE MET 11 + QD1 ILE 56 OK 45 92 - 49 - ~9186=7, 4.2/1480=6...(14) HB3 GLU 75 - QD1 ILE 56 OK 35 89 - 40 - 3.9/8623=25, 1466/2.1=2...(10) HB2 GLU 142 - QD1 ILE 56 OK 12 99 - 12 - 1466/2.1=1, 1473/2.1=1 HG3 PRO 52 - QD1 ILE 56 OK 11 72 - 15 - 11023/3.1=2, 1466/2.1=1...(4) Peak 1481 from aliabs.peaks (0.89, 0.65, 10.93 ppm; 3.94 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 3.1=100 QG2 ILE 136 + QD1 ILE 56 OK 66 99 - 67 - 9683=23, 3.2/9681=11...(22) QD1 LEU 97 + QD1 ILE 56 OK 45 98 - 46 - 9129/3.2=9, 2.1/10597=6...(14) QG2 ILE 101 - QD1 ILE 56 OK 43 100 - 43 - 1463=6, 1474/2.1=4...(16) QD1 ILE 101 - QD1 ILE 56 OK 42 99 - 43 - 1474/2.1=4, 1467/2.1=4...(19) Peak 1482 from aliabs.peaks (1.19, 0.65, 10.93 ppm; 4.33 A): 4 out of 7 assignments used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 HG13 ILE 56 + QD1 ILE 56 OK 72 72 - 100 - 2.1=100 QD1 LEU 26 + QD1 ILE 56 OK 63 85 - 73 - 2.1/10595=41...(15) HB3 LEU 108 + QD1 ILE 56 OK 58 98 - 60 - 3.0/10223=16, ~3479=5...(24) QD1 LEU 69 - QD1 ILE 56 OK 30 94 - 31 - 10917=6, 9932/4.2=3...(15) HB2 LEU 72 - QD1 ILE 56 OK 19 98 - 20 - 8625/8623=2, 1461/3.1=2...(4) QG2 THR 18 - QD1 ILE 56 OK 11 100 - 11 - 10858/4693=1...(4) Peak 1483 from aliabs.peaks (1.20, 0.65, 10.93 ppm; 4.41 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 QD1 LEU 26 + QD1 ILE 56 OK 76 100 - 76 - 2.1/10595=42...(19) HG12 ILE 56 + QD1 ILE 56 OK 72 72 - 100 - 2.1=100 HB3 LEU 108 + QD1 ILE 56 OK 59 92 - 64 - 3.0/10223=17, ~3479=5...(24) QG2 THR 107 - QD1 ILE 56 OK 13 62 - 20 - ~9243=2, 9245/3.1=2...(11) Peak 1484 from aliabs.peaks (0.65, 0.65, 10.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 56 + QD1 ILE 56 OK 100 100 - 100 Peak 1485 from aliabs.peaks (4.34, 3.36, 49.79 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 56 + HD2 PRO 57 OK 100 100 - 100 - 3.8=100 HA ILE 56 + HD3 PRO 57 OK 81 81 - 100 - 3.8=100 HA TYR 70 - HD2 PRO 57 OK 29 100 - 29 - 10591/2.3=15, 1458/4.2=6...(7) HA TYR 70 - HD3 PRO 57 OK 22 79 - 28 - 10591/2.3=15, 1458/4.2=6...(6) HA PRO 12 - HD2 PRO 57 lone 7 85 - 8 - 10591/2.3=4, 8400/8402=3 HA PRO 12 - HD3 PRO 57 lone 5 62 - 8 - 10591/2.3=4, 8400/8402=2 Peak 1486 from aliabs.peaks (3.36, 4.34, 56.11 ppm; 6.49 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HD3 PRO 57 + HA ILE 56 OK 94 94 - 100 - 3.8=100 Peak 1487 from aliabs.peaks (4.34, 3.37, 49.79 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 56 + HD3 PRO 57 OK 100 100 - 100 - 3.8=100 HA ILE 56 + HD2 PRO 57 OK 81 81 - 100 - 3.8=100 HA TYR 70 - HD3 PRO 57 OK 29 100 - 29 - 10591/2.3=15, 1458/4.2=6...(7) HA TYR 70 - HD2 PRO 57 OK 23 79 - 29 - 10591/2.3=15, 1458/4.2=6...(7) HA PRO 12 - HD3 PRO 57 lone 7 85 - 8 - 10591/2.3=4, 8400/8402=3 HA PRO 12 - HD2 PRO 57 lone 5 62 - 8 - 10591/2.3=4, 8400/8402=2 Peak 1488 from aliabs.peaks (3.37, 4.34, 56.11 ppm; 6.49 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HA ILE 56 OK 100 100 - 100 - 3.8=100 HD2 PRO 57 + HA ILE 56 OK 94 94 - 100 - 3.8=100 Peak 1489 from aliabs.peaks (4.42, 3.36, 49.79 ppm; 5.38 A): 4 out of 6 assignments used, quality = 1.00: * HA PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD3 PRO 57 OK 81 81 - 100 - 3.6=100 HA PRO 33 + HD2 PRO 57 OK 66 99 - 67 - 1513/3.0=16, 1529/2.3=15...(15) HA PRO 33 + HD3 PRO 57 OK 52 78 - 67 - 1513/3.0=16, 1529/2.3=15...(15) HA ASP 40 - HD2 PRO 57 OK 17 89 - 19 - 1529/2.3=4, 1521/3.0=3...(7) HA ASP 40 - HD3 PRO 57 OK 12 66 - 19 - 1529/2.3=4, 1521/3.0=3...(7) Peak 1490 from aliabs.peaks (1.66, 3.36, 49.79 ppm; 4.85 A): 9 out of 28 assignments used, quality = 1.00: * HB2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 3.0=100 HB2 PRO 57 + HD3 PRO 57 OK 81 81 - 100 - 3.0=100 HG13 ILE 136 + HD2 PRO 57 OK 71 89 - 80 - 1538/2.3=10, 1530/2.3=10...(31) HB VAL 71 + HD2 PRO 57 OK 63 92 - 68 - ~8513=8, ~10592=8...(21) HG13 ILE 136 + HD3 PRO 57 OK 52 66 - 79 - 1538/2.3=10, 1530/2.3=10...(29) HB2 LYS 114 + HD2 PRO 57 OK 48 94 - 51 - ~8266=8, 1522/3.0=5...(17) HB3 LEU 26 + HD2 PRO 57 OK 47 81 - 57 - ~10566=11, 3.1/10566=7...(22) HB VAL 71 + HD3 PRO 57 OK 46 69 - 68 - ~8513=8, ~10592=8...(20) HD3 LYS 93 + HD2 PRO 57 OK 46 94 - 48 - 1538/2.3=5, 1530/2.3=5...(25) HG2 ARG 124 - HD2 PRO 57 OK 39 100 - 39 - 4225/4.8=4, 1530/2.3=3...(20) HB2 LYS 114 - HD3 PRO 57 OK 36 71 - 50 - ~8266=8, 1522/3.0=5...(17) HD3 LYS 93 - HD3 PRO 57 OK 34 71 - 47 - 1538/2.3=5, 1530/2.3=5...(25) HB3 LEU 26 - HD3 PRO 57 OK 33 59 - 56 - 3.1/10566=9, ~10566=8...(22) HB2 ARG 145 - HD2 PRO 57 OK 32 81 - 40 - ~4940=3, 4948/2.3=3...(20) HG2 ARG 124 - HD3 PRO 57 OK 31 79 - 39 - 4225/4.8=4, 1530/2.3=3...(18) HB2 ARG 145 - HD3 PRO 57 OK 23 59 - 40 - ~4940=3, 4948/2.3=3...(20) HG2 ARG 140 - HD2 PRO 57 OK 16 100 - 15 - 11015/4.2=3, 1530/2.3=1...(5) HG2 ARG 140 - HD3 PRO 57 OK 12 79 - 15 - 11015/4.2=3, 1530/2.3=1...(5) HB2 MET 68 - HD2 PRO 57 poor 9 68 - 13 - 1530/2.3=1, 1522/3.0=1...(5) HB2 MET 68 - HD3 PRO 57 poor 6 47 - 13 - 1530/2.3=1, 1522/3.0=1...(5) HD2 LYS 48 - HD2 PRO 57 lone 5 92 - 6 - HD2 LYS 48 - HD3 PRO 57 lone 4 69 - 5 - HB2 LEU 95 - HD2 PRO 57 lone 4 92 - 4 - HG2 ARG 89 - HD2 PRO 57 lone 4 92 - 4 - HD3 LYS 48 - HD2 PRO 57 lone 3 62 - 5 - HB2 LEU 95 - HD3 PRO 57 lone 3 69 - 4 - HG2 ARG 89 - HD3 PRO 57 lone 3 69 - 4 - HD3 LYS 48 - HD3 PRO 57 lone 2 43 - 5 - Peak 1491 from aliabs.peaks (2.19, 3.36, 49.79 ppm; 5.45 A): 8 out of 12 assignments used, quality = 1.00: * HB3 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HD3 PRO 57 OK 81 81 - 100 - 3.0=100 HB3 LYS 86 + HD2 PRO 57 OK 79 96 - 83 - 1531/2.3=12, 1539/2.3=11...(29) HB2 MET 46 + HD2 PRO 57 OK 66 100 - 66 - 1526=10, 1521/3.6=9...(18) HB3 LYS 86 + HD3 PRO 57 OK 61 74 - 82 - 1531/2.3=12, 1539/2.3=11...(29) HB2 MET 46 + HD3 PRO 57 OK 52 80 - 65 - 1526=9, 1521/3.6=9...(18) HG2 GLU 75 + HD2 PRO 57 OK 46 81 - 57 - ~11514=11, ~9927=9...(15) HB2 MET 113 + HD2 PRO 57 OK 46 100 - 46 - 1531/2.3=6, 1539/2.3=5...(17) HB2 MET 113 - HD3 PRO 57 OK 36 81 - 45 - 1531/2.3=6, 1539/2.3=5...(15) HG2 GLU 75 - HD3 PRO 57 OK 33 59 - 56 - ~11514=11, ~9927=9...(15) HB2 GLN 25 - HD2 PRO 57 poor 7 62 - 11 - 8254/8253=2 HB2 GLN 25 - HD3 PRO 57 poor 4 43 - 10 - 8254/8257=2 Peak 1492 from aliabs.peaks (1.80, 3.36, 49.79 ppm; 4.56 A): 8 out of 14 assignments used, quality = 1.00: * HG2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 LYS 34 + HD2 PRO 57 OK 84 100 - 84 - 1540/2.3=8, 1524/3.0=7...(48) HG2 PRO 57 + HD3 PRO 57 OK 81 81 - 100 - 2.3=100 HD2 LYS 34 + HD2 PRO 57 OK 80 96 - 83 - 10524/3.0=9, 1540/2.3=7...(48) HD3 LYS 86 + HD2 PRO 57 OK 71 100 - 72 - 2739/3.0=9, 1540/2.3=7...(32) HD3 LYS 34 + HD3 PRO 57 OK 67 80 - 83 - 1540/2.3=8, 1524/3.0=7...(48) HD2 LYS 34 + HD3 PRO 57 OK 61 74 - 82 - 10524/3.0=9, 1540/2.3=7...(48) HD3 LYS 86 + HD3 PRO 57 OK 57 80 - 71 - 2739/3.0=9, 1540/2.3=7...(32) HB3 LEU 72 - HD2 PRO 57 OK 45 89 - 51 - 2129/2.3=4, ~2091=4...(27) HB3 LEU 72 - HD3 PRO 57 OK 33 66 - 50 - 2129/2.3=4, ~2091=4...(27) HB3 ARG 145 - HD2 PRO 57 OK 32 92 - 35 - ~4948=3, 1540/2.3=3...(15) HB2 ARG 124 - HD2 PRO 57 OK 26 77 - 34 - 4207/4.8=2, 1540/2.3=2...(21) HB3 ARG 145 - HD3 PRO 57 OK 24 69 - 35 - ~4948=3, 1540/2.3=3...(13) HB2 ARG 124 - HD3 PRO 57 OK 18 55 - 33 - 4207/4.8=2, 1540/2.3=2...(21) Peak 1493 from aliabs.peaks (1.52, 3.36, 49.79 ppm; 4.87 A): 3 out of 14 assignments used, quality = 1.00: * HG3 PRO 57 + HD2 PRO 57 OK 100 100 - 100 - 2.3=100 HG3 PRO 57 + HD3 PRO 57 OK 81 81 - 100 - 2.3=100 HG2 LYS 34 + HD2 PRO 57 OK 60 77 - 78 - 1533/2.3=8, ~530=7...(38) HB2 LYS 123 - HD2 PRO 57 OK 42 98 - 43 - 1533/2.3=7, ~4120=6...(14) HG2 LYS 34 - HD3 PRO 57 OK 42 55 - 77 - 1533/2.3=8, ~530=7...(37) HB2 LYS 123 - HD3 PRO 57 OK 32 76 - 43 - 1533/2.3=7, ~4120=6...(14) HB2 GLU 122 - HD2 PRO 57 OK 25 85 - 30 - 1533/2.3=3, 1.8/9822=3...(15) HB2 LEU 29 - HD2 PRO 57 OK 23 62 - 36 - 1533/2.3=4, 1517/3.0=4...(19) HG3 LYS 85 - HD2 PRO 57 OK 20 85 - 23 - 1533/2.3=3, 1525/3.0=3...(11) HB2 GLU 122 - HD3 PRO 57 OK 18 62 - 29 - 1533/2.3=3, ~4075=3...(15) HB2 LEU 29 - HD3 PRO 57 OK 15 43 - 36 - 1533/2.3=4, 1517/3.0=4...(18) HG3 LYS 85 - HD3 PRO 57 OK 14 62 - 23 - 1533/2.3=3, 1525/3.0=3...(11) HG3 LYS 76 - HD2 PRO 57 OK 14 68 - 21 - 1517/3.0=2, 1533/2.3=2...(6) HG3 LYS 76 - HD3 PRO 57 poor 10 47 - 20 - 1517/3.0=2, 1533/2.3=2...(6) Peak 1494 from aliabs.peaks (3.36, 3.36, 49.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HD2 PRO 57 OK 100 100 - 100 HD3 PRO 57 + HD3 PRO 57 OK 71 71 - 100 Peak 1495 from aliabs.peaks (3.37, 3.36, 49.79 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD2 PRO 57 + HD2 PRO 57 OK 94 94 - 100 HD3 PRO 57 + HD3 PRO 57 OK 81 81 - 100 Reference assignment not found: HD3 PRO 57 - HD2 PRO 57 Peak 1497 from aliabs.peaks (4.42, 3.37, 49.79 ppm; 5.38 A): 4 out of 6 assignments used, quality = 1.00: * HA PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 3.6=100 HA PRO 57 + HD2 PRO 57 OK 81 81 - 100 - 3.6=100 HA PRO 33 + HD3 PRO 57 OK 66 99 - 67 - 1513/3.0=16, 1529/2.3=15...(15) HA PRO 33 + HD2 PRO 57 OK 51 78 - 66 - 1513/3.0=16, 1529/2.3=15...(15) HA ASP 40 - HD3 PRO 57 OK 17 89 - 19 - 1529/2.3=4, 1521/3.0=3...(7) HA ASP 40 - HD2 PRO 57 OK 12 66 - 18 - 1529/2.3=4, 1521/3.0=3...(7) Peak 1498 from aliabs.peaks (1.66, 3.37, 49.79 ppm; 4.85 A): 9 out of 28 assignments used, quality = 1.00: * HB2 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 3.0=100 HB2 PRO 57 + HD2 PRO 57 OK 81 81 - 100 - 3.0=100 HG13 ILE 136 + HD3 PRO 57 OK 71 89 - 80 - 1538/2.3=10, 1530/2.3=10...(29) HB VAL 71 + HD3 PRO 57 OK 63 92 - 69 - ~8513=8, ~10592=8...(20) HG13 ILE 136 + HD2 PRO 57 OK 52 66 - 80 - 1538/2.3=10, 1530/2.3=10...(31) HB3 LEU 26 + HD3 PRO 57 OK 48 81 - 59 - 3.1/10566=14, ~10566=8...(21) HB2 LYS 114 + HD3 PRO 57 OK 48 94 - 51 - ~8266=8, 1522/3.0=5...(17) HB VAL 71 + HD2 PRO 57 OK 47 69 - 68 - ~8513=8, ~10592=8...(21) HD3 LYS 93 + HD3 PRO 57 OK 46 94 - 48 - 1538/2.3=5, 1530/2.3=5...(25) HG2 ARG 124 - HD3 PRO 57 OK 40 100 - 40 - 4225/4.8=4, 1530/2.3=3...(20) HB2 LYS 114 - HD2 PRO 57 OK 36 71 - 50 - ~8266=8, 1522/3.0=5...(17) HB3 LEU 26 - HD2 PRO 57 OK 34 59 - 58 - ~10566=11, 3.1/10566=10...(22) HD3 LYS 93 - HD2 PRO 57 OK 34 71 - 48 - 1538/2.3=5, 1530/2.3=5...(25) HB2 ARG 145 - HD3 PRO 57 OK 32 81 - 40 - ~4940=3, 4948/2.3=3...(20) HG2 ARG 124 - HD2 PRO 57 OK 31 79 - 39 - 4225/4.8=4, 1530/2.3=3...(18) HB2 ARG 145 - HD2 PRO 57 OK 23 59 - 40 - ~4940=3, 4948/2.3=3...(20) HG2 ARG 140 - HD3 PRO 57 OK 16 100 - 16 - 11015/4.2=3, 1530/2.3=1...(5) HG2 ARG 140 - HD2 PRO 57 OK 12 79 - 15 - 11015/4.2=3, 1530/2.3=1...(5) HB2 MET 68 - HD3 PRO 57 poor 9 68 - 13 - 1530/2.3=1, 1522/3.0=1...(5) HB2 MET 68 - HD2 PRO 57 poor 6 47 - 13 - 1530/2.3=1, 1522/3.0=1...(5) HD2 LYS 48 - HD3 PRO 57 lone 5 92 - 6 - HD2 LYS 48 - HD2 PRO 57 lone 4 69 - 6 - HB2 LEU 95 - HD3 PRO 57 lone 4 92 - 4 - HG2 ARG 89 - HD3 PRO 57 lone 4 92 - 4 - HD3 LYS 48 - HD3 PRO 57 lone 3 62 - 5 - HG2 ARG 89 - HD2 PRO 57 lone 3 69 - 4 - HB2 LEU 95 - HD2 PRO 57 lone 3 69 - 4 - HD3 LYS 48 - HD2 PRO 57 lone 2 43 - 5 - Peak 1499 from aliabs.peaks (2.19, 3.37, 49.79 ppm; 5.45 A): 8 out of 12 assignments used, quality = 1.00: * HB3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 + HD2 PRO 57 OK 81 81 - 100 - 3.0=100 HB3 LYS 86 + HD3 PRO 57 OK 79 96 - 82 - 1531/2.3=12, 1539/2.3=11...(29) HB2 MET 46 + HD3 PRO 57 OK 66 100 - 66 - 1527=10, 1521/3.6=9...(18) HB3 LYS 86 + HD2 PRO 57 OK 61 74 - 82 - 1531/2.3=12, 1539/2.3=11...(29) HB2 MET 46 + HD2 PRO 57 OK 52 80 - 65 - 1527=9, 1521/3.6=9...(18) HG2 GLU 75 + HD3 PRO 57 OK 46 81 - 57 - ~11514=11, ~9927=9...(15) HB2 MET 113 + HD3 PRO 57 OK 45 100 - 46 - 1531/2.3=6, 1539/2.3=5...(17) HB2 MET 113 - HD2 PRO 57 OK 36 81 - 45 - 1531/2.3=6, 1539/2.3=5...(16) HG2 GLU 75 - HD2 PRO 57 OK 33 59 - 56 - ~11514=11, ~9927=9...(15) HB2 GLN 25 - HD3 PRO 57 poor 7 62 - 11 - 8254/8257=2 HB2 GLN 25 - HD2 PRO 57 poor 5 43 - 11 - 8254/8253=3 Peak 1500 from aliabs.peaks (1.80, 3.37, 49.79 ppm; 4.56 A): 9 out of 14 assignments used, quality = 1.00: * HG2 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 LYS 34 + HD3 PRO 57 OK 84 100 - 84 - 1540/2.3=8, 1524/3.0=7...(48) HG2 PRO 57 + HD2 PRO 57 OK 81 81 - 100 - 2.3=100 HD2 LYS 34 + HD3 PRO 57 OK 80 96 - 83 - 10524/3.0=9, 1540/2.3=7...(48) HD3 LYS 86 + HD3 PRO 57 OK 71 100 - 72 - 2739/3.0=9, 1540/2.3=7...(32) HD3 LYS 34 + HD2 PRO 57 OK 67 80 - 83 - 1540/2.3=8, 1524/3.0=7...(48) HD2 LYS 34 + HD2 PRO 57 OK 61 74 - 83 - 10524/3.0=9, 1540/2.3=7...(48) HD3 LYS 86 + HD2 PRO 57 OK 57 80 - 71 - 2739/3.0=9, 1540/2.3=7...(32) HB3 LEU 72 + HD3 PRO 57 OK 45 89 - 51 - 2129/2.3=4, ~2091=4...(28) HB3 LEU 72 - HD2 PRO 57 OK 33 66 - 50 - 2129/2.3=4, ~2091=4...(28) HB3 ARG 145 - HD3 PRO 57 OK 32 92 - 35 - ~4948=3, 1540/2.3=3...(15) HB2 ARG 124 - HD3 PRO 57 OK 26 77 - 34 - 4207/4.8=2, 1540/2.3=2...(21) HB3 ARG 145 - HD2 PRO 57 OK 24 69 - 35 - ~4948=3, 1540/2.3=3...(13) HB2 ARG 124 - HD2 PRO 57 OK 19 55 - 34 - 4207/4.8=2, 1540/2.3=2...(21) Peak 1501 from aliabs.peaks (1.52, 3.37, 49.79 ppm; 4.87 A): 3 out of 14 assignments used, quality = 1.00: * HG3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 - 2.3=100 HG3 PRO 57 + HD2 PRO 57 OK 81 81 - 100 - 2.3=100 HG2 LYS 34 + HD3 PRO 57 OK 60 77 - 78 - 1533/2.3=8, ~530=7...(38) HB2 LYS 123 - HD3 PRO 57 OK 43 98 - 44 - 1533/2.3=7, ~4120=6...(14) HG2 LYS 34 - HD2 PRO 57 OK 42 55 - 77 - 1533/2.3=8, ~530=7...(37) HB2 LYS 123 - HD2 PRO 57 OK 33 76 - 43 - 1533/2.3=7, ~4120=6...(14) HB2 GLU 122 - HD3 PRO 57 OK 25 85 - 30 - 1533/2.3=3, ~4075=3...(15) HB2 LEU 29 - HD3 PRO 57 OK 23 62 - 37 - 1533/2.3=4, 1517/3.0=4...(19) HG3 LYS 85 - HD3 PRO 57 OK 20 85 - 23 - 1533/2.3=3, 1525/3.0=3...(11) HB2 GLU 122 - HD2 PRO 57 OK 18 62 - 29 - 1533/2.3=3, ~4075=3...(15) HB2 LEU 29 - HD2 PRO 57 OK 15 43 - 36 - 1533/2.3=4, 1517/3.0=4...(19) HG3 LYS 85 - HD2 PRO 57 OK 14 62 - 23 - 1533/2.3=3, 1525/3.0=3...(11) HG3 LYS 76 - HD3 PRO 57 OK 14 68 - 21 - 1517/3.0=2, 1533/2.3=2...(6) HG3 LYS 76 - HD2 PRO 57 poor 10 47 - 20 - 1517/3.0=2, 1533/2.3=2...(6) Peak 1502 from aliabs.peaks (3.36, 3.37, 49.79 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD3 PRO 57 + HD3 PRO 57 OK 94 94 - 100 HD2 PRO 57 + HD2 PRO 57 OK 81 81 - 100 Reference assignment not found: HD2 PRO 57 - HD3 PRO 57 Peak 1503 from aliabs.peaks (3.37, 3.37, 49.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HD3 PRO 57 OK 100 100 - 100 HD2 PRO 57 + HD2 PRO 57 OK 71 71 - 100 Peak 1505 from aliabs.peaks (4.42, 4.42, 62.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 57 + HA PRO 57 OK 100 100 - 100 Peak 1506 from aliabs.peaks (1.66, 4.42, 62.46 ppm; 3.81 A): 2 out of 14 assignments used, quality = 1.00: * HB2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 2.3=100 HG13 ILE 136 + HA PRO 57 OK 46 89 - 52 - 1522/2.3=7, ~8263=7...(21) HB VAL 71 - HA PRO 57 OK 39 92 - 43 - 1513=7, ~8513=6, ~2089=6...(14) HB2 LYS 114 - HA PRO 57 OK 32 94 - 34 - ~8266=5, 1522/2.3=5...(16) HD3 LYS 93 - HA PRO 57 OK 26 94 - 28 - 1522/2.3=4, 1530/3.8=3...(11) HB3 LEU 26 - HA PRO 57 OK 26 81 - 32 - ~8262=4, ~246=4...(18) HG2 ARG 124 - HA PRO 57 OK 20 100 - 20 - 1522/2.3=2, ~4235=2...(11) HB2 ARG 145 - HA PRO 57 OK 15 81 - 18 - ~1524=2, 4948/3.8=2...(10) HG2 ARG 140 - HA PRO 57 lone 9 100 - 9 - 1522/2.3=1 HB2 MET 68 - HA PRO 57 lone 6 68 - 9 - 1522/2.3=1 HD2 LYS 48 - HA PRO 57 lone 4 92 - 4 - HD3 LYS 48 - HA PRO 57 lone 2 62 - 4 - HB2 LEU 95 - HA PRO 57 lone 2 92 - 2 - HG2 ARG 89 - HA PRO 57 lone 2 92 - 2 - Peak 1507 from aliabs.peaks (2.19, 4.42, 62.46 ppm; 3.86 A): 3 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HA PRO 57 OK 51 96 - 53 - 1515/2.3=9, 1531/3.8=6...(20) HB2 MET 46 + HA PRO 57 OK 46 100 - 46 - 1521=9, 10711/10426=5...(17) HG2 GLU 75 - HA PRO 57 OK 29 81 - 36 - ~11514=6, 8632/10427=6...(14) HB2 MET 113 - HA PRO 57 OK 27 100 - 27 - ~3700=3, 1515/2.3=3...(13) HB2 GLN 25 - HA PRO 57 lone 4 62 - 7 - Peak 1508 from aliabs.peaks (1.80, 4.42, 62.46 ppm; 4.60 A): 4 out of 7 assignments used, quality = 1.00: * HG2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.8=100 HD3 LYS 86 + HA PRO 57 OK 61 100 - 61 - 2739/2.3=10, 3.5/1507=7...(20) HD3 LYS 34 + HA PRO 57 OK 58 100 - 59 - 1524/2.3=8, 1516/2.3=8...(18) HD2 LYS 34 + HA PRO 57 OK 55 96 - 58 - 10524/2.3=10, ~1524=7...(18) HB3 LEU 72 - HA PRO 57 OK 30 89 - 34 - ~2091=5, ~11518=4...(13) HB2 ARG 124 - HA PRO 57 OK 17 77 - 22 - ~4217=3, 3.0/1506=2...(10) HB3 ARG 145 - HA PRO 57 OK 17 92 - 18 - 1524/2.3=3, 4955/2.3=3...(8) Peak 1509 from aliabs.peaks (1.52, 4.42, 62.46 ppm; 5.19 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.8=100 HG2 LYS 34 + HA PRO 57 OK 47 77 - 62 - 1517/2.3=8, ~10524=7...(16) HB2 LYS 123 - HA PRO 57 OK 21 98 - 22 - 1533/3.8=6, 1525/2.3=5...(5) HB2 LEU 29 - HA PRO 57 OK 15 62 - 25 - ~10842=4, ~10843=4...(8) HB2 GLU 122 - HA PRO 57 OK 14 85 - 16 - 1533/3.8=3, 1517/2.3=3...(7) HG3 LYS 85 - HA PRO 57 OK 12 85 - 14 - 1525/2.3=4, 1517/2.3=3...(5) HG3 LYS 76 - HA PRO 57 poor 9 68 - 13 - 1517/2.3=3, 1525/2.3=2...(5) Peak 1510 from aliabs.peaks (3.36, 4.42, 62.46 ppm; 5.87 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.6=100 HD3 PRO 57 + HA PRO 57 OK 94 94 - 100 - 3.6=100 Peak 1511 from aliabs.peaks (3.37, 4.42, 62.46 ppm; 5.87 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HA PRO 57 OK 100 100 - 100 - 3.6=100 HD2 PRO 57 + HA PRO 57 OK 94 94 - 100 - 3.6=100 Peak 1513 from aliabs.peaks (4.42, 1.66, 31.82 ppm; 3.85 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 2.3=100 HA PRO 33 + HB2 PRO 57 OK 61 99 - 61 - 1521/1.8=12...(18) HA PRO 57 - HB VAL 71 OK 31 72 - 42 - ~8513=6, 1506=6, ~2089=6...(14) HA ASP 40 - HB VAL 71 OK 14 58 - 25 - 2.9/2091=6, ~2097=5...(6) HA ASP 40 - HB2 PRO 57 OK 12 89 - 13 - 1521/1.8=2, 1529/2.3=2, ~6280=1 HA PRO 33 - HB VAL 71 lone 7 69 - 10 - ~9913=2, ~8433=2, 3.8/9793=1 Peak 1514 from aliabs.peaks (1.66, 1.66, 31.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 HB VAL 71 + HB VAL 71 OK 61 61 - 100 Peak 1515 from aliabs.peaks (2.19, 1.66, 31.82 ppm; 3.53 A): 2 out of 12 assignments used, quality = 1.00: * HB3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 1.8=100 HB3 LYS 86 + HB2 PRO 57 OK 55 96 - 57 - 1531/2.3=7, 1507/2.3=6...(26) HB2 MET 46 - HB2 PRO 57 OK 41 100 - 41 - 1521/2.3=6, 1522=4...(18) HB3 PRO 57 - HB VAL 71 OK 38 72 - 52 - 8513/2.1=9, ~2089=6...(19) HG2 GLU 75 - HB VAL 71 OK 32 52 - 62 - ~8512=14, ~9971=10...(11) HG2 GLU 75 - HB2 PRO 57 OK 31 81 - 38 - 3.0/11514=10, 8635/2.3=4...(12) HB2 MET 113 - HB2 PRO 57 OK 29 100 - 29 - ~3700=3, 1507/2.3=3...(12) HB2 MET 113 - HB VAL 71 lone 7 72 - 9 - 8513/2.1=3, ~8512=2...(4) HB3 LYS 86 - HB VAL 71 lone 6 66 - 9 - 8513/2.1=2, ~8514=1, ~8520=1 HB2 MET 46 - HB VAL 71 lone 5 71 - 7 - 8513/2.1=2, ~8504=1 HB2 GLN 25 - HB2 PRO 57 lone 4 62 - 6 - HB2 GLN 25 - HB VAL 71 lone 1 38 - 4 - ~9894=1 Peak 1516 from aliabs.peaks (1.80, 1.66, 31.82 ppm; 3.11 A): 4 out of 14 assignments used, quality = 1.00: * HG2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 LYS 34 + HB2 PRO 57 OK 55 100 - 55 - 1524/1.8=6, 1540/2.3=5...(24) HD2 LYS 34 + HB2 PRO 57 OK 52 96 - 54 - 10524/1.8=5, 541/2.3=4...(28) HD3 LYS 86 + HB2 PRO 57 OK 49 100 - 49 - 2739/1.8=7, 3.5/1515=4...(25) HB3 LEU 72 - HB VAL 71 OK 44 58 - 76 - 9895/2.1=9, ~2097=8...(31) HG2 PRO 57 - HB VAL 71 OK 29 72 - 41 - 10592/2.1=6, 9900/2.1=5...(17) HB3 LEU 72 - HB2 PRO 57 OK 24 89 - 27 - 2129/2.3=2, ~11518=2...(10) HB3 ARG 145 - HB2 PRO 57 OK 18 92 - 20 - 4955=2, 1524/1.8=2...(7) HB2 ARG 124 - HB2 PRO 57 OK 16 77 - 21 - 1.8/4217=2, 4208=2...(8) HB3 ARG 145 - HB VAL 71 OK 11 61 - 18 - 9895/2.1=2, 4955=2...(9) HD3 LYS 34 - HB VAL 71 poor 8 72 - 11 - 9895/2.1=2, 6747/4.6=1...(5) HD2 LYS 34 - HB VAL 71 poor 7 66 - 11 - 9895/2.1=2, 8495/3.8=2, ~9895=1 HB2 ARG 124 - HB VAL 71 poor 7 48 - 14 - 4208=2, 9895/2.1=2...(4) HD3 LYS 86 - HB VAL 71 lone 5 72 - 7 - 9895/2.1=1 Peak 1517 from aliabs.peaks (1.52, 1.66, 31.82 ppm; 3.85 A): 2 out of 14 assignments used, quality = 1.00: * HG3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 2.3=100 HG2 LYS 34 + HB2 PRO 57 OK 51 77 - 66 - 2.9/1516=6, 2.9/1516=6...(40) HG3 PRO 57 - HB VAL 71 OK 41 72 - 57 - ~8513=6, 1538=6...(19) HB2 LYS 123 - HB2 PRO 57 OK 29 98 - 30 - 1533/2.3=5, ~4120=4...(13) HB2 GLU 122 - HB2 PRO 57 OK 17 85 - 20 - 1533/2.3=2, ~4075=2...(11) HB2 LEU 29 - HB2 PRO 57 OK 17 62 - 27 - 3.1/10843=4, 3.2/10842=4...(12) HG3 LYS 85 - HB2 PRO 57 OK 14 85 - 16 - 1525/1.8=2, 1533/2.3=2 HG3 LYS 76 - HB2 PRO 57 OK 11 68 - 16 - 1533/2.3=2, 1525/1.8=2 HG3 LYS 85 - HB VAL 71 poor 7 55 - 13 - 2615/4.6=3, ~2580=3...(5) HB2 LEU 29 - HB VAL 71 poor 5 38 - 12 - 3.1/10843=3, ~9896=3...(5) HG3 LYS 76 - HB VAL 71 lone 4 41 - 10 - ~8518=6 HG2 LYS 34 - HB VAL 71 lone 4 48 - 8 - ~9895=1, ~9900=1, ~9901=1 HB2 LYS 123 - HB VAL 71 lone 2 68 - 4 - 4.2/7553=1 HB2 GLU 122 - HB VAL 71 lone 1 55 - 2 - Peak 1518 from aliabs.peaks (3.36, 1.66, 31.82 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 3.0=100 HD3 PRO 57 + HB2 PRO 57 OK 94 94 - 100 - 3.0=100 HD2 PRO 57 - HB VAL 71 OK 44 72 - 62 - ~8513=7, ~10592=7...(21) HD3 PRO 57 - HB VAL 71 OK 39 63 - 61 - ~8513=7, ~10592=7...(20) Peak 1519 from aliabs.peaks (3.37, 1.66, 31.82 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 57 + HB2 PRO 57 OK 100 100 - 100 - 3.0=100 HD2 PRO 57 + HB2 PRO 57 OK 94 94 - 100 - 3.0=100 HD3 PRO 57 - HB VAL 71 OK 44 72 - 62 - ~8513=7, ~10592=7...(20) HD2 PRO 57 - HB VAL 71 OK 39 63 - 61 - ~8513=7, ~10592=7...(21) Peak 1521 from aliabs.peaks (4.42, 2.19, 31.82 ppm; 4.00 A): 3 out of 6 assignments used, quality = 1.00: * HA PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 2.3=100 HA PRO 33 + HB3 PRO 57 OK 57 99 - 58 - 1513/1.8=14, 1529/2.3=9...(17) HA PRO 57 + HB2 MET 46 OK 48 98 - 49 - 1507=9, 10426/10711=6...(17) HA ASP 40 - HB3 PRO 57 OK 14 89 - 15 - 1529/2.3=2, 1513/1.8=2...(7) HA PRO 33 - HB2 MET 46 lone 10 96 - 10 - ~10715=3 HA ASP 40 - HB2 MET 46 lone 2 85 - 2 - Peak 1522 from aliabs.peaks (1.66, 2.19, 31.82 ppm; 3.68 A): 3 out of 28 assignments used, quality = 1.00: * HB2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 1.8=100 HG13 ILE 136 + HB3 PRO 57 OK 56 89 - 63 - 1530/2.3=7, 1538/2.3=7...(26) HB VAL 71 + HB3 PRO 57 OK 52 92 - 56 - 2.1/8513=10, ~2089=6...(19) HB2 PRO 57 - HB2 MET 46 OK 44 98 - 45 - 2.3/1521=6, 1515=6...(18) HB2 LYS 114 - HB3 PRO 57 OK 39 94 - 42 - 2.9/8266=7...(16) HD3 LYS 93 - HB3 PRO 57 OK 35 94 - 37 - 1530/2.3=4, 1538/2.3=4...(16) HB3 LEU 26 - HB3 PRO 57 OK 32 81 - 40 - ~10566=5, ~8262=4...(20) HB2 ARG 145 - HB3 PRO 57 OK 30 81 - 37 - 4.0/10586=11, 1.8/1524=4...(13) HG2 ARG 124 - HB3 PRO 57 OK 30 100 - 30 - 1530/2.3=2, 1538/2.3=2...(12) HB2 LYS 114 - HB2 MET 46 OK 16 91 - 18 - 10490/4.2=3, 3.9/7398=3...(7) HG2 ARG 140 - HB2 MET 46 OK 16 97 - 16 - 4732/4.6=3, 10490/4.2=2...(5) HG13 ILE 136 - HB2 MET 46 OK 14 85 - 16 - 2.3/10710=3, ~9676=3...(6) HB2 ARG 145 - HB2 MET 46 OK 11 78 - 15 - ~10389=8, ~10523=2...(4) HG2 ARG 140 - HB3 PRO 57 OK 11 100 - 10 - 1530/2.3=1 HG2 ARG 124 - HB2 MET 46 lone 9 97 - 9 - HB2 MET 68 - HB3 PRO 57 poor 8 68 - 11 - HB VAL 71 - HB2 MET 46 lone 7 88 - 8 - 2.1/8513=2, ~8504=1 HD2 LYS 48 - HB2 MET 46 lone 6 88 - 7 - 10490/4.2=1, ~9823=1 HD2 LYS 48 - HB3 PRO 57 lone 5 92 - 5 - HD3 LYS 93 - HB2 MET 46 lone 4 91 - 4 - 10490/4.2=1 HB2 LEU 95 - HB3 PRO 57 lone 4 92 - 4 - HD3 LYS 48 - HB2 MET 46 lone 4 59 - 6 - ~9823=1 HG2 ARG 89 - HB3 PRO 57 lone 3 92 - 3 - HD3 LYS 48 - HB3 PRO 57 lone 3 62 - 4 - HB2 MET 68 - HB2 MET 46 lone 3 64 - 4 - HB3 LEU 26 - HB2 MET 46 lone 2 78 - 3 - HB2 LEU 95 - HB2 MET 46 lone 2 88 - 3 - HG2 ARG 89 - HB2 MET 46 lone 1 88 - 1 - Peak 1523 from aliabs.peaks (2.19, 2.19, 31.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 HB2 MET 46 + HB2 MET 46 OK 98 98 - 100 Peak 1524 from aliabs.peaks (1.80, 2.19, 31.82 ppm; 3.66 A): 4 out of 14 assignments used, quality = 1.00: * HG2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 LYS 34 + HB3 PRO 57 OK 72 100 - 72 - 1.8/10524=7, 1516/1.8=7...(44) HD2 LYS 34 + HB3 PRO 57 OK 69 96 - 71 - 10524=8, 1.8/10524=6...(44) HD3 LYS 86 + HB3 PRO 57 OK 65 100 - 65 - 2739=10, 1.8/2728=9...(27) HG2 PRO 57 - HB2 MET 46 OK 39 98 - 40 - 3.8/1521=4, 1531=4...(17) HB3 LEU 72 - HB3 PRO 57 OK 34 89 - 39 - ~2091=3, 2129/2.3=3...(22) HB3 ARG 145 - HB3 PRO 57 OK 31 92 - 33 - 4.0/10586=11, 4955/1.8=3...(12) HB2 ARG 124 - HB3 PRO 57 OK 20 77 - 26 - 4208/1.8=2, ~4217=2...(10) HD3 LYS 86 - HB2 MET 46 OK 16 98 - 16 - 2739=2, 1.8/2728=2...(6) HD3 LYS 34 - HB2 MET 46 OK 14 98 - 14 - ~10715=2, ~10522=2...(5) HD2 LYS 34 - HB2 MET 46 OK 13 93 - 14 - ~10715=2, 10524=2...(6) HB3 ARG 145 - HB2 MET 46 OK 12 88 - 13 - ~10389=8, ~10523=2, ~10388=2 HB3 LEU 72 - HB2 MET 46 lone 4 85 - 5 - 3.0/11518=1, 9908/4.6=1 HB2 ARG 124 - HB2 MET 46 lone 4 73 - 5 - Peak 1525 from aliabs.peaks (1.52, 2.19, 31.82 ppm; 5.28 A): 4 out of 14 assignments used, quality = 1.00: * HG3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 2.3=100 HG3 PRO 57 + HB2 MET 46 OK 66 98 - 67 - 1539=9, 3.8/1521=8...(18) HG2 LYS 34 + HB3 PRO 57 OK 65 77 - 84 - 2.9/10524=10, 2.9/1524=9...(39) HB2 LYS 123 + HB3 PRO 57 OK 46 98 - 47 - 1533/2.3=7, ~4120=7...(15) HG3 LYS 85 - HB3 PRO 57 OK 31 85 - 36 - 5.1/10587=7, 4.0/8861=6...(13) HB2 GLU 122 - HB3 PRO 57 OK 28 85 - 33 - 1533/2.3=4, ~4075=3...(18) HB2 LEU 29 - HB3 PRO 57 OK 26 62 - 41 - ~10842=5, ~10843=5...(20) HG3 LYS 76 - HB3 PRO 57 OK 17 68 - 25 - 1517/1.8=3, 1533/2.3=2...(9) HG2 LYS 34 - HB2 MET 46 OK 16 73 - 21 - ~10715=6, ~10522=5...(6) HB2 LEU 29 - HB2 MET 46 OK 10 59 - 17 - ~10501=5, 4.2/10704=3...(5) HB2 LYS 123 - HB2 MET 46 lone 5 95 - 6 - HG3 LYS 76 - HB2 MET 46 lone 5 64 - 8 - 5.1/6809=3 HG3 LYS 85 - HB2 MET 46 lone 5 82 - 6 - 4.0/8861=2 HB2 GLU 122 - HB2 MET 46 lone 5 82 - 6 - 9449/10705=1 Peak 1526 from aliabs.peaks (3.36, 2.19, 31.82 ppm; 5.53 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 3.0=100 HD3 PRO 57 + HB3 PRO 57 OK 94 94 - 100 - 3.0=100 HD2 PRO 57 + HB2 MET 46 OK 63 98 - 64 - 3.6/1521=9, 2.3/1531=8...(18) HD3 PRO 57 + HB2 MET 46 OK 57 91 - 63 - 3.6/1521=9, 2.3/1531=8...(18) Peak 1527 from aliabs.peaks (3.37, 2.19, 31.82 ppm; 5.53 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 57 + HB3 PRO 57 OK 100 100 - 100 - 3.0=100 HD2 PRO 57 + HB3 PRO 57 OK 94 94 - 100 - 3.0=100 HD3 PRO 57 + HB2 MET 46 OK 63 98 - 64 - 3.6/1521=9, 2.3/1531=8...(18) HD2 PRO 57 + HB2 MET 46 OK 58 91 - 63 - 3.6/1521=9, 2.3/1531=8...(18) Peak 1529 from aliabs.peaks (4.42, 1.80, 27.60 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 3.8=100 HA PRO 33 + HG2 PRO 57 OK 66 99 - 67 - 1529=18, 1513/2.3=16...(15) HA ASP 40 - HG2 PRO 57 OK 17 89 - 18 - 1529=3, 1521/2.3=3...(7) Peak 1530 from aliabs.peaks (1.66, 1.80, 27.60 ppm; 3.60 A): 3 out of 14 assignments used, quality = 1.00: * HB2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HG13 ILE 136 + HG2 PRO 57 OK 57 89 - 64 - 1530=10, 1538/1.8=8...(27) HB VAL 71 + HG2 PRO 57 OK 47 92 - 51 - 2.1/10592=8, 2.1/9900=7...(18) HB2 LYS 114 - HG2 PRO 57 OK 36 94 - 38 - 1530=5, ~8266=4...(17) HD3 LYS 93 - HG2 PRO 57 OK 34 94 - 36 - 1530=5, 1538/1.8=4...(12) HB3 LEU 26 - HG2 PRO 57 OK 30 81 - 36 - ~10566=5, 1530=4...(17) HG2 ARG 124 - HG2 PRO 57 OK 28 100 - 28 - 1538/1.8=2, 11071/8267=2...(12) HB2 ARG 145 - HG2 PRO 57 OK 24 81 - 29 - 3.0/4940=3, 4948=3...(14) HG2 ARG 140 - HG2 PRO 57 OK 10 100 - 10 - 1530=1, 1538/1.8=1, 1522/2.3=1 HB2 MET 68 - HG2 PRO 57 poor 7 68 - 11 - 1530=1 HD2 LYS 48 - HG2 PRO 57 lone 4 92 - 4 - HB2 LEU 95 - HG2 PRO 57 lone 3 92 - 3 - HG2 ARG 89 - HG2 PRO 57 lone 3 92 - 3 - HD3 LYS 48 - HG2 PRO 57 lone 2 62 - 3 - Peak 1531 from aliabs.peaks (2.19, 1.80, 27.60 ppm; 4.68 A): 4 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HG2 PRO 57 OK 77 96 - 80 - 1531=12, 1515/2.3=10...(29) HB2 MET 46 + HG2 PRO 57 OK 58 100 - 58 - 1521/3.8=7, 1539/1.8=6...(18) HG2 GLU 75 + HG2 PRO 57 OK 45 81 - 56 - ~11514=10, ~9927=8...(19) HB2 MET 113 - HG2 PRO 57 OK 43 100 - 43 - ~3700=5, 1539/1.8=4...(16) HB2 GLN 25 - HG2 PRO 57 poor 7 62 - 11 - 8254/8267=2 Peak 1532 from aliabs.peaks (1.80, 1.80, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 Peak 1533 from aliabs.peaks (1.52, 1.80, 27.60 ppm; 4.00 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 1.8=100 HG2 LYS 34 + HG2 PRO 57 OK 48 77 - 62 - ~530=6, 1517/2.3=6...(31) HB2 LYS 123 - HG2 PRO 57 OK 38 98 - 39 - 1533=5, ~4120=5...(15) HB2 LEU 29 - HG2 PRO 57 OK 20 62 - 32 - 1533=4, 1517/2.3=3...(19) HB2 GLU 122 - HG2 PRO 57 OK 19 85 - 22 - ~4075=2, ~4075=2...(15) HG3 LYS 85 - HG2 PRO 57 OK 17 85 - 19 - 1533=2, 1525/2.3=2...(9) HG3 LYS 76 - HG2 PRO 57 OK 12 68 - 18 - 1533=2, 1517/2.3=2...(4) Peak 1534 from aliabs.peaks (3.36, 1.80, 27.60 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 PRO 57 + HG2 PRO 57 OK 94 94 - 100 - 2.3=100 Peak 1535 from aliabs.peaks (3.37, 1.80, 27.60 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HG2 PRO 57 OK 100 100 - 100 - 2.3=100 HD2 PRO 57 + HG2 PRO 57 OK 94 94 - 100 - 2.3=100 Peak 1537 from aliabs.peaks (4.42, 1.52, 27.60 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 3.8=100 HA PRO 33 + HG3 PRO 57 OK 74 99 - 75 - 1529/1.8=18, 1513/2.3=17...(17) HA ASP 40 - HG3 PRO 57 OK 20 89 - 22 - 1529/1.8=5, ~6280=4...(7) Peak 1538 from aliabs.peaks (1.66, 1.52, 27.60 ppm; 3.97 A): 3 out of 14 assignments used, quality = 1.00: * HB2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HG13 ILE 136 + HG3 PRO 57 OK 61 89 - 69 - 1530/1.8=9, 1522/2.3=8...(28) HB VAL 71 + HG3 PRO 57 OK 54 92 - 59 - 1517=7, ~8513=6...(19) HB2 LYS 114 - HG3 PRO 57 OK 38 94 - 40 - ~8266=6, 1530/1.8=5...(16) HD3 LYS 93 - HG3 PRO 57 OK 37 94 - 39 - 1530/1.8=5, 1522/2.3=4...(19) HB3 LEU 26 - HG3 PRO 57 OK 33 81 - 41 - ~10566=6, ~8262=5...(18) HG2 ARG 124 - HG3 PRO 57 OK 31 100 - 31 - 1530/1.8=3, 1522/2.3=2...(18) HB2 ARG 145 - HG3 PRO 57 OK 26 81 - 32 - 1.8/1540=3, 4948/1.8=3...(12) HG2 ARG 140 - HG3 PRO 57 OK 11 100 - 10 - 1530/1.8=1, 1522/2.3=1 HB2 MET 68 - HG3 PRO 57 poor 7 68 - 10 - 1530/1.8=1, 1522/2.3=1 HD2 LYS 48 - HG3 PRO 57 lone 5 92 - 5 - HB2 LEU 95 - HG3 PRO 57 lone 4 92 - 4 - HG2 ARG 89 - HG3 PRO 57 lone 4 92 - 4 - HD3 LYS 48 - HG3 PRO 57 lone 3 62 - 4 - Peak 1539 from aliabs.peaks (2.19, 1.52, 27.60 ppm; 5.17 A): 5 out of 6 assignments used, quality = 1.00: * HB3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HG3 PRO 57 OK 80 96 - 83 - 1531/1.8=12, 1515/2.3=11...(28) HB2 MET 46 + HG3 PRO 57 OK 65 100 - 65 - 1531/1.8=8, 1521/3.8=8...(18) HG2 GLU 75 + HG3 PRO 57 OK 47 81 - 58 - ~11514=12, 1.8/9927=11...(16) HB2 MET 113 + HG3 PRO 57 OK 46 100 - 46 - 1531/1.8=6, ~3700=6...(15) HB2 GLN 25 - HG3 PRO 57 poor 7 62 - 11 - 8254/8268=2 Peak 1540 from aliabs.peaks (1.80, 1.52, 27.60 ppm; 4.04 A): 4 out of 7 assignments used, quality = 1.00: * HG2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 1.8=100 HD3 LYS 34 + HG3 PRO 57 OK 76 100 - 76 - 1524/2.3=7, 1516/2.3=7...(44) HD2 LYS 34 + HG3 PRO 57 OK 73 96 - 75 - 10524/2.3=8, 1516/2.3=5...(44) HD3 LYS 86 + HG3 PRO 57 OK 67 100 - 67 - 2739/2.3=9, 3.5/1539=6...(32) HB3 LEU 72 - HG3 PRO 57 OK 40 89 - 45 - 2129/1.8=4, ~2091=4...(24) HB3 ARG 145 - HG3 PRO 57 OK 28 92 - 31 - ~4948=3, ~4948=3...(13) HB2 ARG 124 - HG3 PRO 57 OK 22 77 - 29 - 3.9/7542=3, 3.0/1538=2...(14) Peak 1541 from aliabs.peaks (1.52, 1.52, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 Peak 1542 from aliabs.peaks (3.36, 1.52, 27.60 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HD3 PRO 57 + HG3 PRO 57 OK 94 94 - 100 - 2.3=100 Peak 1543 from aliabs.peaks (3.37, 1.52, 27.60 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 57 + HG3 PRO 57 OK 100 100 - 100 - 2.3=100 HD2 PRO 57 + HG3 PRO 57 OK 94 94 - 100 - 2.3=100 Peak 1546 from aliabs.peaks (4.43, 4.43, 57.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 58 + HA ILE 58 OK 100 100 - 100 Peak 1547 from aliabs.peaks (1.73, 4.43, 57.91 ppm; 4.90 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 58 + HA ILE 58 OK 100 100 - 100 - 3.0=100 HB3 ARG 144 + HA ILE 58 OK 59 100 - 59 - 4892/3.0=14, ~4883=10...(20) HB2 ARG 49 - HA ILE 58 OK 45 89 - 50 - 1.8/10418=26, ~8200=4...(15) HB2 LYS 85 - HA ILE 58 OK 43 72 - 59 - 1547=9, ~8271=7...(20) HB3 GLU 81 - HA ILE 58 OK 27 98 - 28 - 3.0/11447=6, 1563/3.2=3...(10) HB2 GLU 81 - HA ILE 58 OK 26 94 - 28 - 3.0/11447=6, 1563/3.2=3...(10) HB3 ARG 109 - HA ILE 58 OK 26 85 - 30 - 11117/4.1=6, 11117/4.1=5...(10) HG3 ARG 140 - HA ILE 58 OK 11 92 - 12 - 11575/8270=1, 11575/8270=1 HD2 LYS 36 - HA ILE 58 lone 9 100 - 9 - 1587/4.1=1, ~9824=1 HG3 ARG 89 - HA ILE 58 lone 8 94 - 8 - ~8273=1 Peak 1548 from aliabs.peaks (0.57, 4.43, 57.91 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 58 + HA ILE 58 OK 100 100 - 100 - 3.2=100 Peak 1549 from aliabs.peaks (1.24, 4.43, 57.91 ppm; 4.47 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 58 + HA ILE 58 OK 100 100 - 100 - 4.1=100 HG13 ILE 58 + HA ILE 58 OK 96 96 - 100 - 4.1=100 HG12 ILE 101 + HA ILE 58 OK 45 89 - 51 - ~10179=15, 2.1/8270=12...(9) HB3 LEU 87 - HA ILE 58 OK 35 98 - 35 - 1557/3.0=6, ~9863=5...(13) HG2 LYS 61 - HA ILE 58 OK 26 68 - 39 - 1566/3.2=6, ~8275=5...(12) HD3 LYS 123 - HA ILE 58 lone 5 68 - 7 - 4.7/11447=1, 9865/4.8=1 Peak 1550 from aliabs.peaks (1.25, 4.43, 57.91 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + HA ILE 58 OK 100 100 - 100 - 4.1=100 HG12 ILE 58 + HA ILE 58 OK 96 96 - 100 - 4.1=100 HG2 LYS 61 - HA ILE 58 OK 37 92 - 40 - 1566/3.2=6, ~8275=5...(12) HG12 ILE 101 - HA ILE 58 OK 31 62 - 49 - ~10179=15, 2.1/8270=12...(9) HB3 LEU 87 - HA ILE 58 OK 27 81 - 33 - ~9863=5, 1557/3.0=5...(10) HG3 LYS 61 - HA ILE 58 OK 25 62 - 40 - ~8275=5, ~8332=5...(14) Peak 1551 from aliabs.peaks (0.54, 4.43, 57.91 ppm; 3.25 A): 2 out of 2 assignments used, quality = 0.91: * QD1 ILE 58 + HA ILE 58 OK 88 100 - 88 - 4.1=49, 1567/3.2=30...(19) QD1 LEU 42 + HA ILE 58 OK 18 96 - 19 - 1559/3.0=6, 1567/3.2=5...(5) Peak 1554 from aliabs.peaks (4.43, 1.73, 38.88 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 58 + HB ILE 58 OK 100 100 - 100 - 3.0=100 HA ASN 84 + HB ILE 58 OK 65 100 - 65 - 1554=15, 1586/3.2=11...(18) HA ASP 40 - HB ILE 58 OK 25 85 - 29 - 1554=6, 1586/3.2=5...(12) HB THR 18 - HB ILE 58 lone 10 100 - 10 - 1562/2.1=2, 1586/3.2=2...(4) Peak 1555 from aliabs.peaks (1.73, 1.73, 38.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 58 + HB ILE 58 OK 100 100 - 100 Peak 1556 from aliabs.peaks (0.57, 1.73, 38.88 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 58 + HB ILE 58 OK 100 100 - 100 - 2.1=100 Peak 1557 from aliabs.peaks (1.24, 1.73, 38.88 ppm; 4.01 A): 4 out of 6 assignments used, quality = 1.00: * HG12 ILE 58 + HB ILE 58 OK 100 100 - 100 - 2.9=100 HG13 ILE 58 + HB ILE 58 OK 96 96 - 100 - 2.9=100 HB3 LEU 87 + HB ILE 58 OK 56 98 - 58 - ~10950=9, 3.2/10065=7...(23) HG12 ILE 101 + HB ILE 58 OK 51 89 - 58 - 2.1/10179=24, ~10135=7...(14) HG2 LYS 61 - HB ILE 58 OK 31 68 - 46 - 1566/2.1=6, ~8275=5...(17) HD3 LYS 123 - HB ILE 58 lone 5 68 - 7 - 3364/10179=2 Peak 1558 from aliabs.peaks (1.25, 1.73, 38.88 ppm; 4.01 A): 3 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + HB ILE 58 OK 100 100 - 100 - 2.9=100 HG12 ILE 58 + HB ILE 58 OK 96 96 - 100 - 2.9=100 HB3 LEU 87 + HB ILE 58 OK 46 81 - 56 - ~10950=9, 3.2/10065=7...(23) HG2 LYS 61 - HB ILE 58 OK 43 92 - 47 - 1566/2.1=7, ~8275=5...(17) HG12 ILE 101 - HB ILE 58 OK 36 62 - 57 - 2.1/10179=24, ~10135=7...(14) HG3 LYS 61 - HB ILE 58 OK 30 62 - 48 - ~8275=5, ~8332=5...(20) Peak 1559 from aliabs.peaks (0.54, 1.73, 38.88 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 58 + HB ILE 58 OK 100 100 - 100 - 3.2=100 QD1 LEU 42 - HB ILE 58 OK 29 96 - 30 - 1567/2.1=6, 1551/3.0=4...(11) Peak 1562 from aliabs.peaks (4.43, 0.57, 16.74 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.99: * HA ILE 58 + QG2 ILE 58 OK 99 100 - 99 - 3.2=96, 1551/3.1=23...(23) HA ASN 84 - QG2 ILE 58 OK 31 100 - 31 - 1554/2.1=7, 1586/3.1=6...(13) HA ASP 40 - QG2 ILE 58 OK 12 85 - 13 - 1554/2.1=3, 1586/3.1=3 HB THR 18 - QG2 ILE 58 lone 7 100 - 7 - 1586/3.1=1, 3.9/10580=1 Peak 1563 from aliabs.peaks (1.73, 0.57, 16.74 ppm; 2.94 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 58 + QG2 ILE 58 OK 100 100 - 100 - 2.1=100 HB2 LYS 85 - QG2 ILE 58 OK 23 72 - 31 - 1563=6, 3.0/10416=6...(13) HB2 ARG 49 - QG2 ILE 58 OK 19 89 - 21 - ~10418=5, ~10417=3...(8) HB3 ARG 144 - QG2 ILE 58 OK 16 100 - 16 - 4892/4.0=4, 4.0/1561=2...(6) HB3 ARG 109 - QG2 ILE 58 OK 16 85 - 18 - 3.0/8279=4, 11117/3.2=2...(8) HB3 GLU 81 - QG2 ILE 58 OK 14 98 - 15 - 3.0/8281=2, 1587/3.1=1 HB2 GLU 81 - QG2 ILE 58 OK 14 94 - 15 - 3.0/8281=2, 1587/3.1=1 HD2 LYS 36 - QG2 ILE 58 lone 5 100 - 4 - HG3 ARG 140 - QG2 ILE 58 lone 4 92 - 5 - HG3 ARG 89 - QG2 ILE 58 lone 4 94 - 4 - Peak 1564 from aliabs.peaks (0.57, 0.57, 16.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 58 + QG2 ILE 58 OK 100 100 - 100 Peak 1565 from aliabs.peaks (1.24, 0.57, 16.74 ppm; 3.10 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 58 + QG2 ILE 58 OK 99 100 - 99 - 3.2=93, 2.1/1567=39...(21) HG13 ILE 58 + QG2 ILE 58 OK 95 96 - 99 - 3.2=93, 2.1/1567=39...(21) HB3 LEU 87 - QG2 ILE 58 OK 35 98 - 36 - 1.8/9863=5, ~10950=5...(14) HG2 LYS 61 - QG2 ILE 58 OK 34 68 - 50 - 3.8/8330=16, 4.9/8295=9...(14) HG12 ILE 101 - QG2 ILE 58 OK 33 89 - 37 - ~10179=9, 2.1/8272=6...(14) HD3 LYS 123 - QG2 ILE 58 lone 3 68 - 5 - Peak 1566 from aliabs.peaks (1.25, 0.57, 16.74 ppm; 3.10 A): 3 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + QG2 ILE 58 OK 99 100 - 99 - 3.2=93, 2.1/1567=39...(22) HG12 ILE 58 + QG2 ILE 58 OK 95 96 - 99 - 3.2=93, 2.1/1567=39...(21) HG2 LYS 61 + QG2 ILE 58 OK 47 92 - 51 - 3.8/8330=16, 4.9/8295=9...(14) HG3 LYS 61 - QG2 ILE 58 OK 31 62 - 50 - 3.8/8330=16, 4.9/8295=9...(17) HB3 LEU 87 - QG2 ILE 58 OK 28 81 - 34 - 1.8/9863=5, ~10950=5...(14) HG12 ILE 101 - QG2 ILE 58 OK 23 62 - 36 - ~10179=9, 2.1/8272=6...(14) Peak 1567 from aliabs.peaks (0.54, 0.57, 16.74 ppm; 2.50 A): 2 out of 2 assignments used, quality = 0.88: * QD1 ILE 58 + QG2 ILE 58 OK 86 100 - 86 - 3.1=55, 1559/2.1=21...(25) QD1 LEU 42 + QG2 ILE 58 OK 16 96 - 16 - 1559/2.1=4, 1551/3.2=2...(6) Peak 1570 from aliabs.peaks (4.43, 1.24, 26.45 ppm; 5.26 A): 4 out of 8 assignments used, quality = 1.00: * HA ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 4.1=100 HA ILE 58 + HG13 ILE 58 OK 87 87 - 100 - 4.1=100 HA ASN 84 + HG12 ILE 58 OK 55 100 - 55 - 1554/2.9=14, 1586/2.1=13...(9) HA ASN 84 + HG13 ILE 58 OK 46 87 - 53 - 1554/2.9=14, 1586/2.1=13...(8) HA ASP 40 - HG12 ILE 58 OK 19 85 - 22 - 1586/2.1=5, 1554/2.9=5...(6) HA ASP 40 - HG13 ILE 58 OK 15 68 - 22 - 1586/2.1=5, 1554/2.9=5...(6) HB THR 18 - HG12 ILE 58 lone 8 100 - 8 - 1586/2.1=2, 1562/3.2=2 HB THR 18 - HG13 ILE 58 lone 7 87 - 8 - 1586/2.1=2, 1562/3.2=2 Peak 1571 from aliabs.peaks (1.73, 1.24, 26.45 ppm; 4.09 A): 2 out of 20 assignments used, quality = 1.00: * HB ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 2.9=100 HB ILE 58 + HG13 ILE 58 OK 87 87 - 100 - 2.9=100 HB2 LYS 85 - HG12 ILE 58 OK 30 72 - 42 - 1587/2.1=6, 1563/3.2=5...(16) HB3 ARG 109 - HG12 ILE 58 OK 27 85 - 31 - 11117=5, 11117/1.8=5...(12) HB3 ARG 144 - HG12 ILE 58 OK 24 100 - 24 - 4892/4.5=8, 1587/2.1=3...(9) HB2 ARG 49 - HG12 ILE 58 OK 24 89 - 27 - ~10417=8, 1587/2.1=4...(10) HB2 LYS 85 - HG13 ILE 58 OK 23 56 - 42 - 1587/2.1=6, 1563/3.2=5...(16) HB3 GLU 81 - HG12 ILE 58 OK 22 98 - 23 - ~8284=3, 1587/2.1=3...(9) HB2 GLU 81 - HG12 ILE 58 OK 22 94 - 23 - ~8284=3, 1587/2.1=3...(9) HB3 ARG 109 - HG13 ILE 58 OK 21 68 - 31 - 11117/1.8=6, 11117=4...(12) HB3 ARG 144 - HG13 ILE 58 OK 21 86 - 24 - 4892/4.5=8, 1587/2.1=3...(9) HB2 ARG 49 - HG13 ILE 58 OK 19 72 - 27 - ~10417=8, 1587/2.1=4...(10) HB3 GLU 81 - HG13 ILE 58 OK 18 82 - 23 - ~8284=3, 1587/2.1=3...(9) HB2 GLU 81 - HG13 ILE 58 OK 18 78 - 23 - ~8284=3, 1587/2.1=3...(9) HG3 ARG 140 - HG12 ILE 58 lone 6 92 - 6 - HD2 LYS 36 - HG12 ILE 58 lone 6 100 - 6 - 1587/2.1=1 HG3 ARG 89 - HG12 ILE 58 lone 6 94 - 6 - HD2 LYS 36 - HG13 ILE 58 lone 5 87 - 6 - 1587/2.1=1 HG3 ARG 140 - HG13 ILE 58 lone 5 75 - 6 - HG3 ARG 89 - HG13 ILE 58 lone 5 78 - 6 - Peak 1572 from aliabs.peaks (0.57, 1.24, 26.45 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 3.2=100 QG2 ILE 58 + HG13 ILE 58 OK 87 87 - 100 - 3.2=100 Peak 1573 from aliabs.peaks (1.24, 1.24, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 58 + HG12 ILE 58 OK 100 100 - 100 HG13 ILE 58 + HG13 ILE 58 OK 80 80 - 100 Peak 1574 from aliabs.peaks (1.25, 1.24, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG12 ILE 58 + HG12 ILE 58 OK 96 96 - 100 HG13 ILE 58 + HG13 ILE 58 OK 87 87 - 100 Reference assignment not found: HG13 ILE 58 - HG12 ILE 58 Peak 1575 from aliabs.peaks (0.54, 1.24, 26.45 ppm; 3.39 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 58 + HG12 ILE 58 OK 100 100 - 100 - 2.1=100 QD1 ILE 58 + HG13 ILE 58 OK 87 87 - 100 - 2.1=100 QD1 LEU 42 - HG12 ILE 58 OK 32 96 - 34 - 1559/2.9=6, 2.1/10117=6...(10) QD1 LEU 42 - HG13 ILE 58 OK 27 80 - 33 - 1559/2.9=6, 2.1/10117=5...(10) Peak 1578 from aliabs.peaks (4.43, 1.25, 26.45 ppm; 5.26 A): 4 out of 8 assignments used, quality = 1.00: * HA ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 4.1=100 HA ILE 58 + HG12 ILE 58 OK 87 87 - 100 - 4.1=100 HA ASN 84 + HG13 ILE 58 OK 55 100 - 55 - 1554/2.9=14, 1586/2.1=13...(9) HA ASN 84 + HG12 ILE 58 OK 48 87 - 55 - 1554/2.9=14, 1586/2.1=13...(9) HA ASP 40 - HG13 ILE 58 OK 20 85 - 23 - 1586/2.1=5, 1554/2.9=5...(6) HA ASP 40 - HG12 ILE 58 OK 15 68 - 22 - 1586/2.1=5, 1554/2.9=5...(6) HB THR 18 - HG13 ILE 58 lone 8 100 - 8 - 1586/2.1=2, 1562/3.2=2 HB THR 18 - HG12 ILE 58 lone 7 87 - 8 - 1586/2.1=2, 1562/3.2=2 Peak 1579 from aliabs.peaks (1.73, 1.25, 26.45 ppm; 4.09 A): 2 out of 20 assignments used, quality = 1.00: * HB ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 2.9=100 HB ILE 58 + HG12 ILE 58 OK 87 87 - 100 - 2.9=100 HB2 LYS 85 - HG13 ILE 58 OK 30 72 - 42 - 1587/2.1=6, 1563/3.2=5...(16) HB3 ARG 109 - HG13 ILE 58 OK 26 85 - 30 - 11117/1.8=6, ~8286=4...(12) HB3 ARG 144 - HG13 ILE 58 OK 24 100 - 24 - 4892/4.5=8, 1587/2.1=3...(9) HB2 ARG 49 - HG13 ILE 58 OK 24 89 - 27 - ~10417=8, 1587/2.1=4...(10) HB2 LYS 85 - HG12 ILE 58 OK 23 56 - 42 - 1587/2.1=6, 1563/3.2=5...(16) HB3 GLU 81 - HG13 ILE 58 OK 22 98 - 22 - ~8284=3, 1587/2.1=3...(9) HB2 GLU 81 - HG13 ILE 58 OK 22 94 - 23 - ~8284=3, 1587/2.1=3...(9) HB3 ARG 144 - HG12 ILE 58 OK 21 86 - 24 - 4892/4.5=8, 1587/2.1=3...(9) HB3 ARG 109 - HG12 ILE 58 OK 20 68 - 30 - 11117/1.8=5, ~8286=4...(12) HB2 ARG 49 - HG12 ILE 58 OK 19 72 - 27 - ~10417=8, 1587/2.1=4...(10) HB3 GLU 81 - HG12 ILE 58 OK 18 82 - 22 - ~8284=3, 1587/2.1=3...(9) HB2 GLU 81 - HG12 ILE 58 OK 18 78 - 23 - ~8284=3, 1587/2.1=3...(9) HG3 ARG 89 - HG13 ILE 58 lone 6 94 - 6 - HG3 ARG 140 - HG13 ILE 58 lone 6 92 - 6 - HD2 LYS 36 - HG13 ILE 58 lone 6 100 - 6 - 1587/2.1=1 HD2 LYS 36 - HG12 ILE 58 lone 5 87 - 6 - 1587/2.1=1 HG3 ARG 140 - HG12 ILE 58 lone 5 75 - 6 - HG3 ARG 89 - HG12 ILE 58 lone 5 78 - 6 - Peak 1580 from aliabs.peaks (0.57, 1.25, 26.45 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 3.2=100 QG2 ILE 58 + HG12 ILE 58 OK 87 87 - 100 - 3.2=100 Peak 1581 from aliabs.peaks (1.24, 1.25, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 58 + HG13 ILE 58 OK 96 96 - 100 HG12 ILE 58 + HG12 ILE 58 OK 87 87 - 100 Reference assignment not found: HG12 ILE 58 - HG13 ILE 58 Peak 1582 from aliabs.peaks (1.25, 1.25, 26.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 58 + HG13 ILE 58 OK 100 100 - 100 HG12 ILE 58 + HG12 ILE 58 OK 80 80 - 100 Peak 1583 from aliabs.peaks (0.54, 1.25, 26.45 ppm; 3.39 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 58 + HG13 ILE 58 OK 100 100 - 100 - 2.1=100 QD1 ILE 58 + HG12 ILE 58 OK 87 87 - 100 - 2.1=100 QD1 LEU 42 - HG13 ILE 58 OK 32 96 - 33 - 1559/2.9=6, 1567/3.2=5...(10) QD1 LEU 42 - HG12 ILE 58 OK 26 80 - 33 - 1559/2.9=6, 1567/3.2=5...(10) Peak 1586 from aliabs.peaks (4.43, 0.54, 10.83 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.96: * HA ILE 58 + QD1 ILE 58 OK 93 100 - 93 - 4.1=58, 3.2/1567=33...(19) HA ASN 84 + QD1 ILE 58 OK 40 100 - 40 - 1586=13, 1554/3.2=6...(14) HA ASP 40 - QD1 ILE 58 OK 16 85 - 19 - 1586=5, 1562/3.1=3...(8) HB THR 18 - QD1 ILE 58 lone 8 100 - 8 - 8362/8351=2, 1562/3.1=1 Peak 1587 from aliabs.peaks (1.73, 0.54, 10.83 ppm; 3.85 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 58 + QD1 ILE 58 OK 100 100 - 100 - 3.2=100 HB2 LYS 85 - QD1 ILE 58 OK 31 72 - 42 - 1587=7, 1563/3.1=5...(18) HB2 ARG 49 - QD1 ILE 58 OK 26 89 - 30 - 1.8/10417=11...(8) HB3 ARG 144 - QD1 ILE 58 OK 23 100 - 23 - 4892/4.9=6, 4.0/1585=4...(9) HB3 ARG 109 - QD1 ILE 58 OK 22 85 - 26 - 3.0/8286=5, 11117/2.1=5...(10) HB3 GLU 81 - QD1 ILE 58 OK 21 98 - 21 - 3.0/8284=5, 1563/3.1=2...(8) HB2 GLU 81 - QD1 ILE 58 OK 20 94 - 21 - 3.0/8284=5, 1563/3.1=2...(8) HD2 LYS 36 - QD1 ILE 58 lone 8 100 - 8 - 3.6/8290=2 HG3 ARG 140 - QD1 ILE 58 lone 6 92 - 7 - 11575/10135=1 HG3 ARG 89 - QD1 ILE 58 lone 5 94 - 6 - Peak 1588 from aliabs.peaks (0.57, 0.54, 10.83 ppm; 2.50 A): 1 out of 1 assignment used, quality = 0.86: * QG2 ILE 58 + QD1 ILE 58 OK 86 100 - 86 - 3.1=55, 2.1/1559=21...(27) Peak 1589 from aliabs.peaks (1.24, 0.54, 10.83 ppm; 3.51 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 58 + QD1 ILE 58 OK 100 100 - 100 - 2.1=100 HG13 ILE 58 + QD1 ILE 58 OK 96 96 - 100 - 2.1=100 HB3 LEU 87 + QD1 ILE 58 OK 50 98 - 51 - 3.1/10950=17...(20) HG12 ILE 101 - QD1 ILE 58 OK 40 89 - 45 - 3.2/10135=13, ~10179=8...(14) HG2 LYS 61 - QD1 ILE 58 OK 35 68 - 53 - 4.9/10579=11, 3.8/8286=8...(22) HD3 LYS 123 - QD1 ILE 58 lone 5 68 - 7 - 2804/10950=1, 4.7/8284=1 Peak 1590 from aliabs.peaks (1.25, 0.54, 10.83 ppm; 3.51 A): 3 out of 6 assignments used, quality = 1.00: * HG13 ILE 58 + QD1 ILE 58 OK 100 100 - 100 - 2.1=100 HG12 ILE 58 + QD1 ILE 58 OK 96 96 - 100 - 2.1=100 HG2 LYS 61 + QD1 ILE 58 OK 49 92 - 54 - 4.9/10579=11, 3.8/8286=8...(23) HB3 LEU 87 - QD1 ILE 58 OK 41 81 - 50 - 3.1/10950=17...(20) HG3 LYS 61 - QD1 ILE 58 OK 33 62 - 53 - 4.9/10579=11, 3.8/8286=8...(25) HG12 ILE 101 - QD1 ILE 58 OK 27 62 - 44 - 3.2/10135=13, ~10179=8...(14) Peak 1591 from aliabs.peaks (0.54, 0.54, 10.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 58 + QD1 ILE 58 OK 100 100 - 100 Peak 1594 from aliabs.peaks (4.57, 4.57, 54.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 59 + HA MET 59 OK 100 100 - 100 Peak 1595 from aliabs.peaks (1.91, 4.57, 54.70 ppm; 4.08 A): 1 out of 11 assignments used, quality = 1.00: * HB2 MET 59 + HA MET 59 OK 100 100 - 100 - 3.0=100 HB ILE 101 - HA MET 59 OK 42 92 - 46 - 2.1/10140=11, 3.2/9172=6...(15) HG3 PRO 12 - HA MET 59 OK 11 81 - 14 - 1611/3.0=2, ~1611=1, 1635/4.6=1 HB2 LYS 86 - HA MET 59 OK 11 85 - 13 - 1611/3.0=2, ~6537=1 HB3 LEU 69 - HA MET 59 OK 11 94 - 11 - 1635/4.6=2, 1611/3.0=2 QE MET 68 - HA MET 59 poor 10 100 - 10 - 1635/4.6=2, 1611/3.0=2...(4) HB2 GLN 62 - HA MET 59 poor 9 62 - 15 - 2.9/10931=3, 2.9/10931=3 HB3 GLN 111 - HA MET 59 poor 9 68 - 13 - 1.8/1599=3, ~1607=1...(5) HB3 ARG 89 - HA MET 59 lone 4 77 - 5 - HB3 LYS 24 - HA MET 59 lone 4 68 - 6 - HB2 ARG 140 - HA MET 59 lone 2 62 - 4 - Peak 1596 from aliabs.peaks (1.78, 4.57, 54.70 ppm; 3.96 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 59 + HA MET 59 OK 100 100 - 100 - 3.0=100 HB ILE 83 + HA MET 59 OK 54 94 - 57 - 2.1/8301=12, 1604/3.0=7...(24) HG LEU 72 - HA MET 59 OK 26 96 - 28 - 1604/3.0=5, 1636/4.6=3...(15) HG LEU 39 - HA MET 59 OK 14 98 - 14 - 1604/3.0=2, 6544/3.0=1 HB3 ARG 55 - HA MET 59 lone 8 98 - 8 - 1604/3.0=1, 6544/3.0=1 HB3 ARG 35 - HA MET 59 lone 7 85 - 8 - 1604/3.0=1 HB3 ARG 145 - HA MET 59 lone 1 68 - 2 - Peak 1597 from aliabs.peaks (2.40, 4.57, 54.70 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HG2 MET 59 + HA MET 59 OK 100 100 - 100 - 3.7=100 HG3 MET 59 + HA MET 59 OK 100 100 - 100 - 3.7=100 HB ILE 91 - HA MET 59 OK 23 92 - 25 - 1606/3.0=4, ~8972=3...(9) HG3 GLN 25 - HA MET 59 OK 18 100 - 18 - 1605/3.0=3, 1613/3.0=3...(9) HG2 MET 46 - HA MET 59 lone 7 100 - 7 - 1605/3.0=2, 1613/3.0=2 HG3 GLU 37 - HA MET 59 lone 4 62 - 7 - 1606/3.0=1, 1614/3.0=1 Peak 1598 from aliabs.peaks (2.40, 4.57, 54.70 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HG3 MET 59 + HA MET 59 OK 100 100 - 100 - 3.7=100 HG2 MET 59 + HA MET 59 OK 100 100 - 100 - 3.7=100 HB ILE 91 - HA MET 59 OK 24 98 - 25 - 1606/3.0=4, ~8972=3...(9) HG3 GLN 25 - HA MET 59 OK 18 100 - 18 - 1606/3.0=3, 1614/3.0=3...(9) HG2 MET 46 - HA MET 59 lone 7 100 - 7 - 1606/3.0=2, 1614/3.0=2 HB3 PRO 118 - HA MET 59 lone 4 68 - 5 - 1.8/1595=1 Peak 1599 from aliabs.peaks (2.01, 4.57, 54.70 ppm; 4.57 A): 2 out of 10 assignments used, quality = 0.99: * QE MET 59 + HA MET 59 OK 98 100 - 98 - 4.6=96, 1607/3.0=21...(11) HB VAL 63 + HA MET 59 OK 57 99 - 58 - 2.1/8301=17, ~8298=11...(11) QE MET 113 - HA MET 59 OK 15 99 - 16 - 1607/3.0=3, 10251/8314=2...(5) QE MET 11 - HA MET 59 OK 12 72 - 17 - 10591/4.9=2, 3.3/1597=2...(8) HB2 GLN 111 - HA MET 59 poor 7 68 - 10 - 1.8/1595=2, ~1611=1, 1615/3.0=1 HG3 PRO 52 - HA MET 59 lone 7 92 - 8 - 1615/3.0=1, 1607/3.0=1...(4) HB3 GLU 90 - HA MET 59 lone 7 99 - 7 - 1607/3.0=1, 1615/3.0=1 HB2 GLU 90 - HA MET 59 lone 6 89 - 7 - 1607/3.0=1 HG3 GLU 122 - HA MET 59 lone 4 98 - 4 - HB3 ARG 124 - HA MET 59 lone 2 62 - 3 - Peak 1602 from aliabs.peaks (4.57, 1.91, 35.50 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HA LEU 97 + HB2 MET 59 OK 70 98 - 72 - 1610/1.8=15...(17) HA ASN 130 - HB2 MET 59 OK 29 98 - 29 - 1610/1.8=6, 6542/3.9=3...(11) Peak 1603 from aliabs.peaks (1.91, 1.91, 35.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 59 + HB2 MET 59 OK 100 100 - 100 Peak 1604 from aliabs.peaks (1.78, 1.91, 35.50 ppm; 4.26 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 59 + HB2 MET 59 OK 100 100 - 100 - 1.8=100 HB ILE 83 + HB2 MET 59 OK 65 94 - 69 - 2.1/8299=13, 1596/3.0=9...(27) HG LEU 72 - HB2 MET 59 OK 38 96 - 40 - 1596/3.0=5, 1636/4.2=4...(16) HG LEU 39 - HB2 MET 59 OK 19 98 - 19 - 1596/3.0=3, 1636/4.2=2...(10) HB3 ARG 55 - HB2 MET 59 OK 11 98 - 11 - ~1402=2, ~1402=2...(4) HB3 ARG 35 - HB2 MET 59 poor 9 85 - 11 - 1596/3.0=1 HB3 ARG 145 - HB2 MET 59 lone 2 68 - 3 - Peak 1605 from aliabs.peaks (2.40, 1.91, 35.50 ppm; 4.72 A): 3 out of 6 assignments used, quality = 1.00: * HG2 MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HG3 MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB2 MET 59 OK 52 92 - 57 - ~8972=7, ~8972=7...(22) HG3 GLN 25 - HB2 MET 59 OK 40 100 - 40 - 1613/1.8=5, ~1613=4...(19) HG2 MET 46 - HB2 MET 59 OK 24 100 - 24 - ~1078=3, 1613/1.8=3...(11) HG3 GLU 37 - HB2 MET 59 poor 9 62 - 15 - 8328/4.8=3, 1614/1.8=2...(6) Peak 1606 from aliabs.peaks (2.40, 1.91, 35.50 ppm; 4.72 A): 3 out of 6 assignments used, quality = 1.00: * HG3 MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HG2 MET 59 + HB2 MET 59 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB2 MET 59 OK 56 98 - 57 - ~8972=7, ~8972=7...(22) HG3 GLN 25 - HB2 MET 59 OK 40 100 - 40 - 1614/1.8=5, ~1613=4...(19) HG2 MET 46 - HB2 MET 59 OK 24 100 - 24 - ~1078=3, 1614/1.8=3...(11) HB3 PRO 118 - HB2 MET 59 poor 8 68 - 11 - ~1611=1 Peak 1607 from aliabs.peaks (2.01, 1.91, 35.50 ppm; 5.73 A): 2 out of 10 assignments used, quality = 1.00: * QE MET 59 + HB2 MET 59 OK 100 100 - 100 - 4.2=100 HB VAL 63 + HB2 MET 59 OK 63 99 - 64 - ~8301=15, 1599/3.0=12...(12) QE MET 113 - HB2 MET 59 OK 21 99 - 22 - 1615/1.8=3, 1599/3.0=3...(6) QE MET 11 - HB2 MET 59 OK 17 72 - 24 - 3.3/1605=3, 1615/1.8=3...(10) HG3 PRO 52 - HB2 MET 59 OK 16 92 - 17 - ~10455=4, ~10453=3...(6) HB3 GLU 90 - HB2 MET 59 OK 14 99 - 14 - 4.7/11699=3, 1615/1.8=2...(4) HB2 GLU 90 - HB2 MET 59 OK 13 89 - 15 - 4.7/11699=3, 1615/1.8=2...(5) HB2 GLN 111 - HB2 MET 59 OK 11 68 - 17 - ~1611=2, 1615/1.8=2...(4) HG3 GLU 122 - HB2 MET 59 lone 6 98 - 6 - HB3 ARG 124 - HB2 MET 59 lone 3 62 - 5 - Peak 1610 from aliabs.peaks (4.57, 1.78, 35.50 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HA LEU 97 + HB3 MET 59 OK 59 98 - 61 - 1602/1.8=11, 1634/4.2=10...(14) HA ASN 130 - HB3 MET 59 OK 22 98 - 22 - 1602/1.8=5, 6542/3.9=3...(11) Peak 1611 from aliabs.peaks (1.91, 1.78, 35.50 ppm; 4.14 A): 2 out of 11 assignments used, quality = 1.00: * HB2 MET 59 + HB3 MET 59 OK 100 100 - 100 - 1.8=100 HB ILE 101 + HB3 MET 59 OK 51 92 - 55 - 1635/4.2=7, 1595/3.0=6...(23) HG3 PRO 12 - HB3 MET 59 OK 15 81 - 18 - 1595/3.0=2, ~8002=1...(4) HB3 LEU 69 - HB3 MET 59 OK 14 94 - 15 - 1635/4.2=3, 1595/3.0=2...(4) HB2 LYS 86 - HB3 MET 59 OK 13 85 - 15 - 1595/3.0=2, ~2694=1, ~2694=1 QE MET 68 - HB3 MET 59 OK 13 100 - 13 - 1635/4.2=2, 1595/3.0=1 HB3 GLN 111 - HB3 MET 59 OK 11 68 - 16 - 1.8/1615=3, ~1607=2...(5) HB2 GLN 62 - HB3 MET 59 poor 7 62 - 11 - ~10931=2, 1595/3.0=1...(4) HB3 LYS 24 - HB3 MET 59 lone 4 68 - 7 - 3.0/11318=2 HB3 ARG 89 - HB3 MET 59 lone 4 77 - 5 - HB2 ARG 140 - HB3 MET 59 lone 3 62 - 4 - Peak 1612 from aliabs.peaks (1.78, 1.78, 35.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 59 + HB3 MET 59 OK 100 100 - 100 Peak 1613 from aliabs.peaks (2.40, 1.78, 35.50 ppm; 4.88 A): 3 out of 6 assignments used, quality = 1.00: * HG2 MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HG3 MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB3 MET 59 OK 50 92 - 54 - 2.1/8972=9, 3.0/8963=7...(21) HG3 GLN 25 - HB3 MET 59 OK 41 100 - 42 - 1605/1.8=5, ~1605=4...(19) HG2 MET 46 - HB3 MET 59 OK 25 100 - 25 - ~1078=3, 1605/1.8=3...(11) HG3 GLU 37 - HB3 MET 59 poor 10 62 - 15 - 8328/4.8=3, 1606/1.8=2...(6) Peak 1614 from aliabs.peaks (2.40, 1.78, 35.50 ppm; 4.88 A): 3 out of 6 assignments used, quality = 1.00: * HG3 MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HG2 MET 59 + HB3 MET 59 OK 100 100 - 100 - 3.0=100 HB ILE 91 + HB3 MET 59 OK 53 98 - 54 - 2.1/8972=9, 3.0/8963=7...(21) HG3 GLN 25 - HB3 MET 59 OK 42 100 - 42 - 1606/1.8=5, ~1605=4...(19) HG2 MET 46 - HB3 MET 59 OK 25 100 - 25 - ~1078=3, 1606/1.8=3...(11) HB3 PRO 118 - HB3 MET 59 poor 7 68 - 10 - 1.8/1611=1, 1606/1.8=1 Peak 1615 from aliabs.peaks (2.01, 1.78, 35.50 ppm; 5.29 A): 2 out of 10 assignments used, quality = 1.00: * QE MET 59 + HB3 MET 59 OK 100 100 - 100 - 4.2=100 HB VAL 63 + HB3 MET 59 OK 56 99 - 57 - ~8301=13, 1599/3.0=11...(11) QE MET 113 - HB3 MET 59 OK 17 99 - 17 - 1607/1.8=3, 1599/3.0=3...(7) QE MET 11 - HB3 MET 59 OK 14 72 - 20 - 3.3/1613=3, 1607/1.8=2...(10) HG3 PRO 52 - HB3 MET 59 OK 13 92 - 14 - ~10455=3, ~10453=3...(6) HB2 GLN 111 - HB3 MET 59 poor 10 68 - 14 - 1.8/1611=2, 1607/1.8=1...(4) HB3 GLU 90 - HB3 MET 59 lone 10 99 - 10 - 1607/1.8=2, ~1607=1, 1599/3.0=1 HB2 GLU 90 - HB3 MET 59 lone 9 89 - 10 - 1607/1.8=2, ~1607=2, 1599/3.0=1 HG3 GLU 122 - HB3 MET 59 lone 4 98 - 4 - HB3 ARG 124 - HB3 MET 59 lone 3 62 - 5 - Peak 1618 from aliabs.peaks (4.57, 2.40, 32.36 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HA MET 59 + HG2 MET 59 OK 96 100 - 96 - 3.7=95, 1634/3.4=11...(9) HA MET 59 + HG3 MET 59 OK 95 98 - 96 - 3.7=95, 1634/3.4=11...(8) HA LEU 97 - HG2 MET 59 OK 44 98 - 45 - 1634/3.4=8, 1610/3.0=7...(13) HA LEU 97 - HG3 MET 59 OK 39 95 - 41 - 1634/3.4=8, 1610/3.0=7...(12) HA ASN 130 - HG2 MET 59 lone 9 98 - 9 - 1610/3.0=2, 1602/3.0=2...(4) HA ASN 130 - HG3 MET 59 lone 9 95 - 9 - 1610/3.0=2, 1602/3.0=2...(4) Peak 1619 from aliabs.peaks (1.91, 2.40, 32.36 ppm; 3.63 A): 4 out of 22 assignments used, quality = 1.00: * HB2 MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.0=100 HB2 MET 59 + HG3 MET 59 OK 98 98 - 100 - 3.0=100 HB ILE 101 + HG2 MET 59 OK 53 92 - 58 - 3.2/9181=10, 2.1/9186=7...(25) HB ILE 101 + HG3 MET 59 OK 50 88 - 57 - 3.2/9181=9, 1635/3.4=7...(23) HB3 LEU 69 - HG2 MET 59 OK 13 94 - 14 - 1635/3.4=3, 1611/3.0=1...(4) HB3 LEU 69 - HG3 MET 59 OK 13 90 - 14 - 1635/3.4=3, 1611/3.0=1...(4) HG3 PRO 12 - HG2 MET 59 poor 10 81 - 12 - 1611/3.0=2, 1635/3.4=1 HG3 PRO 12 - HG3 MET 59 poor 10 77 - 12 - 1611/3.0=2, 1635/3.4=1...(4) HB3 GLN 111 - HG2 MET 59 poor 9 68 - 14 - 1.8/1623=1, 1635/3.4=1...(5) HB2 LYS 86 - HG2 MET 59 poor 9 85 - 10 - 1611/3.0=1, 1595/3.7=1 HB3 GLN 111 - HG3 MET 59 poor 9 63 - 14 - 1.8/1631=1, 1635/3.4=1...(5) HB2 LYS 86 - HG3 MET 59 poor 9 81 - 10 - 1611/3.0=1, 1595/3.7=1 QE MET 68 - HG2 MET 59 lone 8 100 - 8 - 1635/3.4=2, 1611/3.0=1 QE MET 68 - HG3 MET 59 lone 7 97 - 7 - 1635/3.4=2, 1611/3.0=1 HB3 LYS 24 - HG2 MET 59 lone 4 68 - 6 - HB2 GLN 62 - HG2 MET 59 lone 4 62 - 6 - HB3 LYS 24 - HG3 MET 59 lone 4 63 - 6 - HB3 ARG 89 - HG2 MET 59 lone 4 77 - 5 - HB2 GLN 62 - HG3 MET 59 lone 4 59 - 6 - HB3 ARG 89 - HG3 MET 59 lone 3 73 - 4 - HB2 ARG 140 - HG2 MET 59 lone 2 62 - 3 - HB2 ARG 140 - HG3 MET 59 lone 2 59 - 3 - Peak 1620 from aliabs.peaks (1.78, 2.40, 32.36 ppm; 3.79 A): 4 out of 14 assignments used, quality = 1.00: * HB3 MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.0=100 HB3 MET 59 + HG3 MET 59 OK 98 98 - 100 - 3.0=100 HB ILE 83 + HG2 MET 59 OK 55 94 - 58 - 3.0/10413=9, 1604/3.0=7...(27) HB ILE 83 + HG3 MET 59 OK 52 90 - 58 - 3.0/10413=8, 1604/3.0=7...(27) HG LEU 72 - HG2 MET 59 OK 30 96 - 32 - 1604/3.0=5, 1636/3.4=4...(16) HG LEU 72 - HG3 MET 59 OK 29 93 - 32 - 1604/3.0=5, 1636/3.4=4...(16) HG LEU 39 - HG2 MET 59 OK 13 98 - 13 - 1604/3.0=2, 1636/3.4=2 HG LEU 39 - HG3 MET 59 OK 13 95 - 13 - 1604/3.0=2, 1636/3.4=2 HB3 ARG 55 - HG2 MET 59 lone 8 98 - 8 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 55 - HG3 MET 59 lone 8 95 - 8 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 35 - HG2 MET 59 lone 7 85 - 8 - 1604/3.0=1 HB3 ARG 35 - HG3 MET 59 lone 6 81 - 8 - 1604/3.0=1 HB3 ARG 145 - HG2 MET 59 lone 1 68 - 2 - HB3 ARG 145 - HG3 MET 59 lone 1 63 - 2 - Peak 1621 from aliabs.peaks (2.40, 2.40, 32.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 59 + HG2 MET 59 OK 100 100 - 100 HG3 MET 59 + HG3 MET 59 OK 97 97 - 100 Peak 1622 from aliabs.peaks (2.40, 2.40, 32.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 MET 59 + HG2 MET 59 OK 100 100 - 100 HG3 MET 59 + HG3 MET 59 OK 98 98 - 100 Reference assignment not found: HG3 MET 59 - HG2 MET 59 Peak 1623 from aliabs.peaks (2.01, 2.40, 32.36 ppm; 3.52 A): 2 out of 20 assignments used, quality = 1.00: * QE MET 59 + HG2 MET 59 OK 100 100 - 100 - 3.4=100 QE MET 59 + HG3 MET 59 OK 98 98 - 100 - 3.4=100 HB VAL 63 - HG2 MET 59 OK 41 99 - 41 - 2.1/8360=7, 1607/3.0=6...(17) HB VAL 63 - HG3 MET 59 OK 38 96 - 40 - 2.1/8360=6, 1607/3.0=6...(17) QE MET 11 - HG2 MET 59 OK 12 72 - 17 - 46=2, 4.2/22=1, 46/1.8=1 QE MET 113 - HG2 MET 59 OK 11 99 - 11 - 1607/3.0=2, 1615/3.0=1 HG3 PRO 52 - HG2 MET 59 OK 11 92 - 12 - ~10455=2, 2.3/10455=2...(4) HG3 PRO 52 - HG3 MET 59 OK 11 88 - 12 - 2.3/10455=2, ~10455=1...(4) QE MET 113 - HG3 MET 59 OK 11 96 - 11 - 1607/3.0=2, 1615/3.0=1 QE MET 11 - HG3 MET 59 OK 11 68 - 15 - 46/1.8=2, 46=1 HB2 GLN 111 - HG2 MET 59 poor 7 68 - 11 - HB2 GLN 111 - HG3 MET 59 poor 6 63 - 10 - HB2 GLU 90 - HG2 MET 59 lone 6 89 - 7 - 4.7/7055=2 HB3 GLU 90 - HG2 MET 59 lone 6 99 - 6 - 4.7/7055=2 HB2 GLU 90 - HG3 MET 59 lone 6 85 - 7 - 4.7/7055=2 HB3 GLU 90 - HG3 MET 59 lone 6 96 - 6 - 4.7/7055=2 HG3 GLU 122 - HG2 MET 59 lone 3 98 - 3 - HG3 GLU 122 - HG3 MET 59 lone 3 95 - 3 - HB3 ARG 124 - HG2 MET 59 lone 2 62 - 4 - HB3 ARG 124 - HG3 MET 59 lone 2 59 - 3 - Peak 1626 from aliabs.peaks (4.57, 2.40, 32.36 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HA MET 59 + HG3 MET 59 OK 96 100 - 96 - 3.7=95, 1634/3.4=11...(8) HA MET 59 + HG2 MET 59 OK 95 98 - 96 - 3.7=95, 1634/3.4=11...(8) HA LEU 97 - HG2 MET 59 OK 41 95 - 43 - 1634/3.4=8, 1610/3.0=7...(13) HA LEU 97 - HG3 MET 59 OK 40 98 - 41 - 1634/3.4=8, 1610/3.0=7...(12) HA ASN 130 - HG3 MET 59 lone 9 98 - 9 - 1610/3.0=2, 1602/3.0=2...(4) HA ASN 130 - HG2 MET 59 lone 9 95 - 9 - 1610/3.0=2, 1602/3.0=2...(4) Peak 1627 from aliabs.peaks (1.91, 2.40, 32.36 ppm; 3.63 A): 4 out of 22 assignments used, quality = 1.00: * HB2 MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.0=100 HB2 MET 59 + HG2 MET 59 OK 98 98 - 100 - 3.0=100 HB ILE 101 + HG3 MET 59 OK 51 92 - 56 - 3.2/9181=8, 1635/3.4=7...(23) HB ILE 101 + HG2 MET 59 OK 50 88 - 57 - 3.2/9181=9, 1635/3.4=7...(24) HB3 LEU 69 - HG3 MET 59 OK 13 94 - 14 - 1635/3.4=3, 1611/3.0=1...(4) HB3 LEU 69 - HG2 MET 59 OK 13 90 - 14 - 1635/3.4=3, 1611/3.0=1...(4) HG3 PRO 12 - HG3 MET 59 OK 10 81 - 12 - 1611/3.0=2, 1635/3.4=1...(4) HB3 GLN 111 - HG3 MET 59 poor 9 68 - 14 - 1.8/1631=1, 1635/3.4=1...(5) HG3 PRO 12 - HG2 MET 59 poor 9 77 - 12 - 1611/3.0=2, 1635/3.4=1 HB2 LYS 86 - HG3 MET 59 poor 9 85 - 10 - 1611/3.0=1, 1595/3.7=1 HB3 GLN 111 - HG2 MET 59 poor 9 63 - 14 - 1.8/1623=1, 1635/3.4=1...(5) HB2 LYS 86 - HG2 MET 59 poor 9 81 - 10 - 1611/3.0=1, 1595/3.7=1 QE MET 68 - HG2 MET 59 lone 7 97 - 8 - 1635/3.4=2, 1611/3.0=1 QE MET 68 - HG3 MET 59 lone 7 100 - 7 - 1635/3.4=2, 1611/3.0=1 HB3 LYS 24 - HG3 MET 59 lone 4 68 - 6 - HB3 LYS 24 - HG2 MET 59 lone 4 63 - 6 - HB2 GLN 62 - HG3 MET 59 lone 4 62 - 6 - HB2 GLN 62 - HG2 MET 59 lone 4 59 - 6 - HB3 ARG 89 - HG3 MET 59 lone 3 77 - 4 - HB3 ARG 89 - HG2 MET 59 lone 3 73 - 4 - HB2 ARG 140 - HG3 MET 59 lone 2 62 - 3 - HB2 ARG 140 - HG2 MET 59 lone 2 59 - 3 - Peak 1628 from aliabs.peaks (1.78, 2.40, 32.36 ppm; 3.79 A): 4 out of 14 assignments used, quality = 1.00: * HB3 MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.0=100 HB3 MET 59 + HG2 MET 59 OK 98 98 - 100 - 3.0=100 HB ILE 83 + HG3 MET 59 OK 54 94 - 57 - 3.0/10413=8, 1604/3.0=7...(27) HB ILE 83 + HG2 MET 59 OK 52 90 - 58 - 3.0/10413=8, 1604/3.0=7...(27) HG LEU 72 - HG3 MET 59 OK 30 96 - 32 - 1604/3.0=5, 1636/3.4=4...(16) HG LEU 72 - HG2 MET 59 OK 29 93 - 32 - 1604/3.0=5, 1636/3.4=4...(16) HG LEU 39 - HG3 MET 59 OK 13 98 - 13 - 1604/3.0=2, 1636/3.4=2 HG LEU 39 - HG2 MET 59 OK 13 95 - 13 - 1604/3.0=2, 1636/3.4=2 HB3 ARG 55 - HG3 MET 59 lone 8 98 - 8 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 55 - HG2 MET 59 lone 8 95 - 8 - 1604/3.0=1, 1596/3.7=1 HB3 ARG 35 - HG3 MET 59 lone 7 85 - 8 - 1604/3.0=1 HB3 ARG 35 - HG2 MET 59 lone 6 81 - 8 - 1604/3.0=1 HB3 ARG 145 - HG3 MET 59 lone 1 68 - 2 - HB3 ARG 145 - HG2 MET 59 lone 1 63 - 2 - Peak 1629 from aliabs.peaks (2.40, 2.40, 32.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 MET 59 + HG3 MET 59 OK 100 100 - 100 HG2 MET 59 + HG2 MET 59 OK 98 98 - 100 Reference assignment not found: HG2 MET 59 - HG3 MET 59 Peak 1630 from aliabs.peaks (2.40, 2.40, 32.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 59 + HG3 MET 59 OK 100 100 - 100 HG2 MET 59 + HG2 MET 59 OK 97 97 - 100 Peak 1631 from aliabs.peaks (2.01, 2.40, 32.36 ppm; 3.52 A): 2 out of 20 assignments used, quality = 1.00: * QE MET 59 + HG3 MET 59 OK 100 100 - 100 - 3.4=100 QE MET 59 + HG2 MET 59 OK 98 98 - 100 - 3.4=100 HB VAL 63 - HG3 MET 59 OK 40 99 - 40 - 1607/3.0=6, ~8360=5...(17) HB VAL 63 - HG2 MET 59 OK 39 96 - 40 - 2.1/8360=6, 1607/3.0=6...(17) HG3 PRO 52 - HG3 MET 59 OK 12 92 - 13 - 2.3/10455=2, 2.3/10453=2...(4) HG3 PRO 52 - HG2 MET 59 OK 11 88 - 12 - 2.3/10455=2, ~10455=2...(4) QE MET 11 - HG2 MET 59 OK 11 68 - 16 - 46=2, 46/1.8=1, 4.2/22=1 QE MET 113 - HG3 MET 59 OK 11 99 - 11 - 1607/3.0=2, 1615/3.0=1 QE MET 113 - HG2 MET 59 OK 11 96 - 11 - 1607/3.0=2, 1615/3.0=1 QE MET 11 - HG3 MET 59 OK 11 72 - 15 - 46/1.8=2, 46=1 HB2 GLN 111 - HG3 MET 59 poor 7 68 - 10 - HB2 GLN 111 - HG2 MET 59 poor 7 63 - 10 - HB2 GLU 90 - HG3 MET 59 lone 6 89 - 7 - 4.7/7055=2 HB3 GLU 90 - HG3 MET 59 lone 6 99 - 6 - 4.7/7055=2 HB2 GLU 90 - HG2 MET 59 lone 6 85 - 7 - 4.7/7055=2 HB3 GLU 90 - HG2 MET 59 lone 6 96 - 6 - 4.7/7055=2 HG3 GLU 122 - HG3 MET 59 lone 3 98 - 3 - HG3 GLU 122 - HG2 MET 59 lone 3 95 - 3 - HB3 ARG 124 - HG3 MET 59 lone 2 62 - 3 - HB3 ARG 124 - HG2 MET 59 lone 2 59 - 3 - Peak 1634 from aliabs.peaks (4.57, 2.01, 17.26 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.97: * HA MET 59 + QE MET 59 OK 91 100 - 91 - 4.6=79, 3.0/1607=19...(9) HA LEU 97 + QE MET 59 OK 64 98 - 65 - 3.0/10405=21...(14) HA ASN 130 - QE MET 59 OK 12 98 - 12 - 1602/4.2=3, 1610/4.2=3...(6) Peak 1635 from aliabs.peaks (1.91, 2.01, 17.26 ppm; 2.98 A): 3 out of 11 assignments used, quality = 0.76: * HB2 MET 59 + QE MET 59 OK 60 100 - 60 - 4.2=35, 1.8/1636=13...(8) HB ILE 101 + QE MET 59 OK 31 92 - 33 - 2.1/10407=7, 3.0/10567=5...(13) HB3 LEU 69 + QE MET 59 OK 12 94 - 13 - 1635=3, 3.0/10401=2, 3.2/10406=2 QE MET 68 - QE MET 59 lone 9 100 - 9 - 4.6/10402=2, 1635=1 HG3 PRO 12 - QE MET 59 lone 6 81 - 8 - 1635=2, 1.8/1635=1 HB3 GLN 111 - QE MET 59 lone 6 68 - 9 - HB2 LYS 86 - QE MET 59 lone 4 85 - 4 - 1635=1 HB3 LYS 24 - QE MET 59 lone 3 68 - 5 - 3.0/10566=1 HB3 ARG 89 - QE MET 59 lone 3 77 - 4 - HB2 GLN 62 - QE MET 59 lone 2 62 - 3 - HB2 ARG 140 - QE MET 59 lone 1 62 - 2 - Peak 1636 from aliabs.peaks (1.78, 2.01, 17.26 ppm; 3.55 A): 3 out of 7 assignments used, quality = 0.90: * HB3 MET 59 + QE MET 59 OK 80 100 - 80 - 4.2=59, 1.8/1635=19...(8) HB ILE 83 + QE MET 59 OK 33 94 - 35 - 3.0/10566=12, 3.0/1635=6...(7) HG LEU 72 + QE MET 59 OK 24 96 - 25 - 1636=5, 3.7/10402=4...(8) HG LEU 39 - QE MET 59 poor 10 98 - 10 - 1636=2, 1604/4.2=1, 1596/4.6=1 HB3 ARG 55 - QE MET 59 lone 5 98 - 6 - 1636=1 HB3 ARG 35 - QE MET 59 lone 4 85 - 5 - HB3 ARG 145 - QE MET 59 lone 1 68 - 1 - Peak 1637 from aliabs.peaks (2.40, 2.01, 17.26 ppm; 3.37 A): 2 out of 6 assignments used, quality = 1.00: * HG2 MET 59 + QE MET 59 OK 100 100 - 100 - 3.4=100 HG3 MET 59 + QE MET 59 OK 99 100 - 100 - 3.4=100 HB ILE 91 - QE MET 59 OK 27 92 - 29 - 1637=4, 3.0/10403=3...(12) HG3 GLN 25 - QE MET 59 OK 17 100 - 17 - 1.8/1637=3, 1605/4.2=2...(6) HG2 MET 46 - QE MET 59 OK 12 100 - 12 - 1637=2, ~1078=1, ~1078=1 HG3 GLU 37 - QE MET 59 lone 5 62 - 8 - 3.8/10401=1, 1638=1 Peak 1638 from aliabs.peaks (2.40, 2.01, 17.26 ppm; 3.37 A): 2 out of 6 assignments used, quality = 1.00: * HG3 MET 59 + QE MET 59 OK 100 100 - 100 - 3.4=100 HG2 MET 59 + QE MET 59 OK 99 100 - 100 - 3.4=100 HB ILE 91 - QE MET 59 OK 29 98 - 30 - 1637=4, 3.0/10403=3...(12) HG3 GLN 25 - QE MET 59 OK 17 100 - 17 - 1.8/1637=3, 1606/4.2=2...(5) HG2 MET 46 - QE MET 59 OK 12 100 - 12 - 1638=2, ~1078=1, ~1078=1 HB3 PRO 118 - QE MET 59 lone 5 68 - 8 - 3.0/10402=3, 1.8/1635=2 Peak 1639 from aliabs.peaks (2.01, 2.01, 17.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 59 + QE MET 59 OK 100 100 - 100 Peak 1642 from aliabs.peaks (3.96, 3.96, 53.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 60 + HA ALA 60 OK 100 100 - 100 Peak 1643 from aliabs.peaks (1.34, 3.96, 53.08 ppm; 2.67 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 60 + HA ALA 60 OK 100 100 - 100 - 2.1=100 HG2 LYS 85 - HA ALA 60 lone 7 99 - 7 - ~2619=1 Peak 1646 from aliabs.peaks (3.96, 1.34, 16.46 ppm; 2.61 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 60 + QB ALA 60 OK 100 100 - 100 - 2.1=100 HA3 GLY 94 - QB ALA 60 OK 17 100 - 17 - ~8310=6, 1.8/8312=3...(5) HD3 PRO 129 - QB ALA 60 lone 6 81 - 7 - 2.3/9852=2, 6562/3.7=1 HA LYS 48 - QB ALA 60 lone 6 96 - 6 - 3.6/6465=1 HA PHE 106 - QB ALA 60 lone 3 100 - 3 - HA LYS 86 - QB ALA 60 lone 2 85 - 2 - HB3 SER 103 - QB ALA 60 lone 2 98 - 2 - HA3 GLY 143 - QB ALA 60 lone 1 99 - 1 - HA LEU 29 - QB ALA 60 lone 1 77 - 1 - Peak 1647 from aliabs.peaks (1.34, 1.34, 16.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 60 + QB ALA 60 OK 100 100 - 100 Peak 1650 from aliabs.peaks (3.60, 3.60, 57.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HA LYS 61 OK 100 100 - 100 Peak 1651 from aliabs.peaks (1.96, 3.60, 57.58 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 HB3 PRO 98 + HA LYS 61 OK 46 96 - 48 - 1651=10, 1673/3.0=7...(23) HB3 MET 11 - HA LYS 61 OK 31 94 - 33 - 1651=7, 6577/3.5=4...(13) HB2 LYS 34 - HA LYS 61 OK 25 96 - 26 - 1651=5, 1673/3.0=3...(7) HB3 GLU 122 - HA LYS 61 OK 24 98 - 25 - 4077/3.0=4, 3.0/1652=3...(12) HG2 PRO 12 - HA LYS 61 lone 9 89 - 10 - 8019/4.8=2, 6586/3.5=2 Peak 1652 from aliabs.peaks (2.08, 3.60, 57.58 ppm; 3.67 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 - HA LYS 61 OK 44 100 - 44 - 1652=8, 1663/3.0=5...(20) HB2 GLU 131 - HA LYS 61 OK 36 100 - 36 - 1672=7, 1663/3.0=4...(13) HB2 LEU 26 - HA LYS 61 OK 24 100 - 25 - 1652=4, 1663/3.0=3...(11) HG2 GLU 122 - HA LYS 61 OK 24 89 - 27 - 1652=4, 1663/3.0=3...(15) HD2 ARG 49 - HA LYS 61 OK 20 100 - 20 - 3.7/10527=4, 1652=4...(6) HG3 PRO 33 - HA LYS 61 OK 13 99 - 13 - 1663/3.0=2, 1652=1 HG2 PRO 33 - HA LYS 61 poor 7 62 - 12 - 1.8/1652=1 HB3 GLU 142 - HA LYS 61 lone 2 77 - 3 - HA ARG 35 - HA LYS 61 lone 2 68 - 3 - Peak 1653 from aliabs.peaks (1.25, 3.60, 57.58 ppm; 3.34 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 61 + HA LYS 61 OK 92 100 - 92 - 3.8=66, 1.8/1694=14...(33) HG3 LYS 61 + HA LYS 61 OK 87 94 - 92 - 3.8=66, 1.8/1683=15...(33) HG13 ILE 58 + HA LYS 61 OK 53 92 - 57 - 3.2/8330=24, ~10579=10...(15) HB3 LEU 97 - HA LYS 61 OK 39 89 - 44 - 1654=7, 1.8/1655=5...(21) HG12 ILE 58 - HA LYS 61 OK 37 68 - 56 - 3.2/8330=24, ~10579=10...(16) HB2 LEU 132 - HA LYS 61 OK 31 85 - 37 - 1654=6, 3.2/8330=6...(11) QG2 THR 99 - HA LYS 61 lone 6 72 - 8 - 4.0/1659=2, 1654=2...(4) QG2 THR 102 - HA LYS 61 lone 1 68 - 2 - Peak 1654 from aliabs.peaks (1.26, 3.60, 57.58 ppm; 3.34 A): 3 out of 7 assignments used, quality = 0.99: * HG3 LYS 61 + HA LYS 61 OK 92 100 - 92 - 3.8=66, 1.8/1683=15...(33) HG2 LYS 61 + HA LYS 61 OK 87 94 - 92 - 3.8=66, 1.8/1694=14...(32) HB3 LEU 97 + HA LYS 61 OK 47 100 - 47 - 1654=8, 1.8/1655=5...(21) HB2 LEU 132 - HA LYS 61 OK 38 100 - 39 - 1654=7, 3.2/8330=6...(12) HG13 ILE 58 - HA LYS 61 OK 35 62 - 56 - 3.2/8330=24, ~10579=10...(14) QG2 THR 99 - HA LYS 61 OK 12 96 - 12 - 1654=2, 4.0/1659=2...(6) QG2 THR 102 - HA LYS 61 lone 2 94 - 2 - Peak 1655 from aliabs.peaks (1.60, 3.60, 57.58 ppm; 3.87 A): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 61 + HA LYS 61 OK 97 100 - 97 - 5.2=41, 1.8/1716=14...(46) HD3 LYS 61 + HA LYS 61 OK 97 100 - 97 - 5.2=41, 1.8/1705=14...(46) HB2 LEU 97 + HA LYS 61 OK 51 89 - 58 - 1.8/1654=7, 1666/3.0=6...(23) HB2 LEU 79 - HA LYS 61 OK 15 100 - 15 - 3.1/8728=5, 1655=2...(6) HB2 LEU 66 - HA LYS 61 poor 7 62 - 12 - 3.1/8330=3, ~8331=1, ~8322=1 HG2 ARG 144 - HA LYS 61 lone 4 96 - 4 - 9824/8330=1 HG3 LYS 36 - HA LYS 61 lone 4 72 - 5 - HG LEU 108 - HA LYS 61 lone 4 81 - 5 - HG3 ARG 124 - HA LYS 61 lone 3 72 - 4 - HG2 ARG 141 - HA LYS 61 lone 2 85 - 3 - Peak 1656 from aliabs.peaks (1.59, 3.60, 57.58 ppm; 3.87 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 61 + HA LYS 61 OK 97 100 - 97 - 5.2=41, 1.8/1705=14...(46) HD2 LYS 61 + HA LYS 61 OK 97 100 - 97 - 5.2=41, 1.8/1716=14...(46) HB2 LEU 97 + HA LYS 61 OK 49 85 - 57 - 1.8/1654=7, 1666/3.0=6...(23) HB2 LEU 79 - HA LYS 61 OK 15 100 - 15 - 3.1/8728=5, 1655=2...(6) HB2 LEU 66 - HA LYS 61 poor 8 68 - 12 - 3.1/8330=3, ~8331=1, ~8322=1 HG3 LYS 36 - HA LYS 61 lone 4 77 - 6 - HG2 ARG 144 - HA LYS 61 lone 4 94 - 4 - 9824/8330=1 HG LEU 108 - HA LYS 61 lone 3 77 - 4 - HG3 ARG 124 - HA LYS 61 lone 3 77 - 4 - HG2 ARG 141 - HA LYS 61 lone 2 81 - 3 - Peak 1661 from aliabs.peaks (3.60, 1.96, 30.20 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HA ARG 109 - HB2 LYS 61 OK 41 89 - 46 - 1672/1.8=8, ~11117=5...(17) HA2 GLY 31 - HB2 LYS 61 OK 14 98 - 15 - 1672/1.8=3, 8016/44=3...(7) Peak 1662 from aliabs.peaks (1.96, 1.96, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 Peak 1663 from aliabs.peaks (2.08, 1.96, 30.20 ppm; 3.17 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 1.8=100 HB2 PRO 129 - HB2 LYS 61 OK 36 100 - 37 - 2.3/10267=5, 1652/3.0=3...(22) HB2 GLU 131 - HB2 LYS 61 OK 32 100 - 32 - 1673=5, 1672/3.0=3...(14) HG2 GLU 122 - HB2 LYS 61 OK 23 89 - 26 - 4083=4, 1.8/4090=3...(14) HB2 LEU 26 - HB2 LYS 61 OK 19 100 - 19 - 3.2/10584=2, 1652/3.0=2...(9) HG3 PRO 33 - HB2 LYS 61 OK 12 99 - 12 - 1652/3.0=1 HD2 ARG 49 - HB2 LYS 61 OK 11 100 - 11 - 1652/3.0=2, ~1298=1, ~1298=1 HG2 PRO 33 - HB2 LYS 61 poor 7 62 - 11 - HA ARG 35 - HB2 LYS 61 lone 2 68 - 3 - 2.8/6176=1 HB3 GLU 142 - HB2 LYS 61 lone 2 77 - 2 - Peak 1664 from aliabs.peaks (1.25, 1.96, 30.20 ppm; 3.79 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HB2 LYS 61 OK 94 94 - 100 - 3.0=100 HB3 LEU 97 + HB2 LYS 61 OK 61 89 - 69 - 1.8/1666=7, 3.2/9129=7...(38) HG13 ILE 58 + HB2 LYS 61 OK 61 92 - 66 - ~8330=11, ~8279=10...(24) HB2 LEU 132 - HB2 LYS 61 OK 45 85 - 52 - 3.2/8331=10, 1676/1.8=6...(22) HG12 ILE 58 - HB2 LYS 61 OK 44 68 - 65 - ~8330=11, ~8279=10...(24) QG2 THR 99 - HB2 LYS 61 OK 11 72 - 15 - 4.0/7164=2, 4.0/11395=1...(5) QG2 THR 102 - HB2 LYS 61 lone 3 68 - 4 - Peak 1665 from aliabs.peaks (1.26, 1.96, 30.20 ppm; 3.79 A): 4 out of 7 assignments used, quality = 1.00: * HG3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HB2 LYS 61 OK 94 94 - 100 - 3.0=100 HB3 LEU 97 + HB2 LYS 61 OK 71 100 - 71 - 11426/3.0=8, 1676/1.8=8...(40) HB2 LEU 132 + HB2 LYS 61 OK 54 100 - 54 - 3.2/8331=10, 1676/1.8=6...(23) HG13 ILE 58 - HB2 LYS 61 OK 40 62 - 64 - ~8330=11, ~8279=10...(22) QG2 THR 99 - HB2 LYS 61 OK 18 96 - 19 - 4.0/7164=2, 10150/4.6=2...(8) QG2 THR 102 - HB2 LYS 61 lone 4 94 - 5 - Peak 1666 from aliabs.peaks (1.60, 1.96, 30.20 ppm; 3.68 A): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=100 HD3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=100 HB2 LEU 97 + HB2 LYS 61 OK 55 89 - 62 - 1.8/1665=8, 3.2/9129=6...(29) HB2 LEU 79 - HB2 LYS 61 OK 12 100 - 12 - ~8728=2, 1678/1.8=2...(5) HB2 LEU 66 - HB2 LYS 61 lone 5 62 - 8 - 3.1/8331=2, ~8330=1, ~8332=1 HG LEU 108 - HB2 LYS 61 lone 3 81 - 3 - HG2 ARG 141 - HB2 LYS 61 lone 2 85 - 3 - HG2 ARG 144 - HB2 LYS 61 lone 2 96 - 2 - HG3 LYS 36 - HB2 LYS 61 lone 2 72 - 3 - HG3 ARG 124 - HB2 LYS 61 lone 2 72 - 3 - Peak 1667 from aliabs.peaks (1.59, 1.96, 30.20 ppm; 3.68 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=100 HD2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=100 HB2 LEU 97 + HB2 LYS 61 OK 53 85 - 62 - 1.8/1665=8, 3.2/9129=6...(29) HB2 LEU 79 - HB2 LYS 61 OK 13 100 - 13 - ~8728=2, 1678/1.8=2...(5) HB2 LEU 66 - HB2 LYS 61 lone 5 68 - 8 - 3.1/8331=2, ~8330=1, ~8332=1 HG LEU 108 - HB2 LYS 61 lone 3 77 - 3 - HG3 LYS 36 - HB2 LYS 61 lone 2 77 - 3 - HG3 ARG 124 - HB2 LYS 61 lone 2 77 - 3 - HG2 ARG 141 - HB2 LYS 61 lone 2 81 - 3 - HG2 ARG 144 - HB2 LYS 61 lone 2 94 - 2 - Peak 1668 from aliabs.peaks (2.92, 1.96, 30.20 ppm; 4.55 A): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 4.8=85, 1.8/1739=15...(64) HE3 LYS 61 + HB2 LYS 61 OK 99 99 - 100 - 4.8=85, 1.8/1728=15...(65) HB3 HIS 14 + HB2 LYS 61 OK 65 96 - 68 - 3.0/9856=19, ~9817=10...(20) Peak 1669 from aliabs.peaks (2.91, 1.96, 30.20 ppm; 4.55 A): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 4.8=85, 1.8/1728=15...(65) HE2 LYS 61 + HB2 LYS 61 OK 99 99 - 100 - 4.8=85, 1.8/1739=15...(65) HB3 HIS 14 + HB2 LYS 61 OK 57 85 - 67 - 3.0/9856=19, ~9817=10...(20) Peak 1672 from aliabs.peaks (3.60, 2.08, 30.20 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HA ARG 109 - HB3 LYS 61 OK 40 89 - 45 - 1661/1.8=9, ~11117=4...(17) HA LYS 61 - HB2 GLU 131 OK 34 90 - 38 - 1652=6, 3.0/1663=5...(15) HA2 GLY 31 - HB3 LYS 61 OK 13 98 - 13 - 1661/1.8=3, 1683/3.0=1...(6) HA2 GLY 31 - HB2 GLU 131 lone 2 86 - 2 - HA ARG 109 - HB2 GLU 131 lone 2 75 - 2 - Peak 1673 from aliabs.peaks (1.96, 2.08, 30.20 ppm; 3.29 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 1.8=100 HB3 PRO 98 - HB3 LYS 61 OK 45 96 - 47 - 1651/3.0=5, 6565/3.8=4...(26) HB2 LYS 61 - HB2 GLU 131 OK 32 90 - 35 - 1663=6, 3.0/1672=4...(14) HB3 GLU 122 - HB3 LYS 61 OK 30 98 - 31 - 4077=6, 1.8/4069=4...(13) HB2 LYS 34 - HB3 LYS 61 OK 22 96 - 22 - 1651/3.0=3, 2.9/10968=1...(13) HB3 MET 11 - HB3 LYS 61 OK 21 94 - 23 - 1651/3.0=3, 6577/4.6=2...(11) HB3 GLU 122 - HB2 GLU 131 OK 14 86 - 16 - 9549/4.0=4, ~9556=3...(4) HB2 LYS 34 - HB2 GLU 131 lone 8 84 - 10 - ~9556=2, ~9556=2 HG2 PRO 12 - HB3 LYS 61 lone 7 89 - 8 - HB3 MET 11 - HB2 GLU 131 lone 4 81 - 5 - HB3 PRO 98 - HB2 GLU 131 lone 2 84 - 3 - HG2 PRO 12 - HB2 GLU 131 lone 1 75 - 2 - Peak 1674 from aliabs.peaks (2.08, 2.08, 30.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 HB2 GLU 131 + HB2 GLU 131 OK 90 90 - 100 Peak 1675 from aliabs.peaks (1.25, 2.08, 30.20 ppm; 3.67 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HB3 LYS 61 OK 94 94 - 100 - 3.0=100 HG13 ILE 58 + HB3 LYS 61 OK 58 92 - 63 - ~8330=10, ~8279=9...(22) HB3 LEU 97 + HB3 LYS 61 OK 57 89 - 65 - 1665/1.8=6, 11426/3.0=6...(35) HB2 LEU 132 - HB3 LYS 61 OK 45 85 - 53 - ~8331=7, 3.2/8332=7...(23) HG12 ILE 58 - HB3 LYS 61 OK 42 68 - 62 - ~8330=10, ~8279=9...(23) HG2 LYS 61 - HB2 GLU 131 OK 30 90 - 33 - 3.0/1663=4, 3.8/1672=4...(15) HG3 LYS 61 - HB2 GLU 131 OK 26 81 - 32 - 3.0/1663=4, 3.8/1672=4...(15) HB2 LEU 132 - HB2 GLU 131 OK 12 72 - 17 - 3.6/4446=8, 10417/4.0=6 QG2 THR 99 - HB3 LYS 61 poor 9 72 - 12 - 4.0/1681=2, 1665/1.8=1...(4) HB3 LEU 97 - HB2 GLU 131 lone 5 75 - 7 - 7666/4.6=1 HG13 ILE 58 - HB2 GLU 131 lone 5 79 - 7 - 9551/4.0=2, 2.1/8290=1 HG12 ILE 58 - HB2 GLU 131 lone 3 55 - 6 - 9551/4.0=2, 2.1/8290=1 QG2 THR 99 - HB2 GLU 131 lone 3 60 - 5 - 10150/4.6=2, 4.0/4446=1 QG2 THR 102 - HB3 LYS 61 lone 2 68 - 3 - QG2 THR 102 - HB2 GLU 131 lone 1 55 - 1 - Peak 1676 from aliabs.peaks (1.26, 2.08, 30.20 ppm; 3.67 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HB3 LYS 61 OK 94 94 - 100 - 3.0=100 HB3 LEU 97 + HB3 LYS 61 OK 66 100 - 66 - 1665/1.8=7, 11426/3.0=7...(37) HB2 LEU 132 + HB3 LYS 61 OK 54 100 - 54 - ~8331=7, 3.2/8332=7...(23) HG13 ILE 58 - HB3 LYS 61 OK 38 62 - 61 - ~8330=10, ~8279=9...(21) HG3 LYS 61 - HB2 GLU 131 OK 30 90 - 33 - 3.0/1663=4, 3.8/1672=4...(15) HG2 LYS 61 - HB2 GLU 131 OK 26 81 - 32 - 3.0/1663=4, 3.8/1672=4...(15) HB2 LEU 132 - HB2 GLU 131 OK 18 89 - 20 - 7666/4.6=9, 10417/4.0=8 QG2 THR 99 - HB3 LYS 61 OK 14 96 - 15 - 4.0/1681=2, 1665/1.8=2...(7) HB3 LEU 97 - HB2 GLU 131 lone 7 90 - 8 - 7666/4.6=1 QG2 THR 99 - HB2 GLU 131 lone 6 84 - 7 - 10150/4.6=3, 4.0/4446=1 QG2 THR 102 - HB3 LYS 61 lone 4 94 - 4 - HG13 ILE 58 - HB2 GLU 131 lone 2 51 - 4 - 2.1/8290=1 QG2 THR 102 - HB2 GLU 131 lone 1 81 - 2 - Peak 1677 from aliabs.peaks (1.60, 2.08, 30.20 ppm; 3.62 A): 3 out of 20 assignments used, quality = 1.00: * HD2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.6=99, 1706/1.8=14...(69) HD3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.6=99, 1706/1.8=14...(69) HB2 LEU 97 + HB3 LYS 61 OK 53 89 - 59 - 1.8/1676=7, 1666/1.8=7...(25) HD2 LYS 61 - HB2 GLU 131 OK 15 90 - 17 - 3.6/1663=3, 5.2/1672=2...(8) HD3 LYS 61 - HB2 GLU 131 OK 15 90 - 17 - 3.6/1663=3, 5.2/1672=2...(8) HB2 LEU 79 - HB3 LYS 61 OK 12 100 - 12 - ~8728=2, 1667/1.8=2...(5) HB2 LEU 79 - HB2 GLU 131 lone 7 90 - 8 - HB2 LEU 97 - HB2 GLU 131 lone 5 75 - 7 - HB2 LEU 66 - HB3 LYS 61 lone 5 62 - 8 - ~8331=1, 3.1/8332=1, ~8330=1 HG3 LYS 36 - HB2 GLU 131 lone 4 60 - 6 - HG LEU 108 - HB3 LYS 61 lone 3 81 - 3 - HG3 ARG 124 - HB2 GLU 131 lone 2 60 - 4 - HG2 ARG 144 - HB3 LYS 61 lone 2 96 - 2 - HG2 ARG 141 - HB3 LYS 61 lone 2 85 - 2 - HG3 LYS 36 - HB3 LYS 61 lone 2 72 - 3 - HG2 ARG 141 - HB2 GLU 131 lone 2 72 - 2 - HG3 ARG 124 - HB3 LYS 61 lone 2 72 - 2 - HG2 ARG 144 - HB2 GLU 131 lone 1 84 - 1 - HG LEU 108 - HB2 GLU 131 lone 1 68 - 2 - HB2 LEU 66 - HB2 GLU 131 lone 1 51 - 2 - Peak 1678 from aliabs.peaks (1.59, 2.08, 30.20 ppm; 3.62 A): 3 out of 20 assignments used, quality = 1.00: * HD3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.6=99, 1706/1.8=14...(69) HD2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.6=99, 1706/1.8=14...(69) HB2 LEU 97 + HB3 LYS 61 OK 50 85 - 59 - 1.8/1676=7, 1666/1.8=7...(25) HD3 LYS 61 - HB2 GLU 131 OK 15 90 - 17 - 3.6/1663=3, 5.2/1672=2...(8) HD2 LYS 61 - HB2 GLU 131 OK 15 90 - 17 - 3.6/1663=3, 5.2/1672=2...(8) HB2 LEU 79 - HB3 LYS 61 OK 12 100 - 12 - ~8728=2, 1667/1.8=2...(5) HB2 LEU 79 - HB2 GLU 131 lone 7 90 - 8 - HB2 LEU 66 - HB3 LYS 61 lone 5 68 - 8 - ~8331=1, 3.1/8332=1, ~8330=1 HB2 LEU 97 - HB2 GLU 131 lone 5 72 - 6 - HG3 LYS 36 - HB2 GLU 131 lone 4 64 - 6 - HG3 ARG 124 - HB2 GLU 131 lone 3 64 - 4 - HG LEU 108 - HB3 LYS 61 lone 2 77 - 3 - HG3 LYS 36 - HB3 LYS 61 lone 2 77 - 3 - HG2 ARG 144 - HB3 LYS 61 lone 2 94 - 2 - HG3 ARG 124 - HB3 LYS 61 lone 2 77 - 2 - HG2 ARG 141 - HB3 LYS 61 lone 2 81 - 2 - HG2 ARG 141 - HB2 GLU 131 lone 2 68 - 2 - HG2 ARG 144 - HB2 GLU 131 lone 1 81 - 1 - HB2 LEU 66 - HB2 GLU 131 lone 1 55 - 2 - HG LEU 108 - HB2 GLU 131 lone 1 64 - 2 - Peak 1679 from aliabs.peaks (2.92, 2.08, 30.20 ppm; 4.30 A): 3 out of 6 assignments used, quality = 1.00: * HE2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 4.8=72, 1728/1.8=14...(60) HE3 LYS 61 + HB3 LYS 61 OK 98 99 - 100 - 4.8=72, 1739/1.8=14...(60) HB3 HIS 14 + HB3 LYS 61 OK 58 96 - 60 - 3.0/9817=13, ~9856=12...(19) HE2 LYS 61 - HB2 GLU 131 OK 20 90 - 22 - 4.8/1663=3, 5.8/1672=3...(9) HE3 LYS 61 - HB2 GLU 131 OK 19 88 - 22 - 4.8/1663=3, 5.8/1672=3...(9) HB3 HIS 14 - HB2 GLU 131 lone 3 84 - 4 - Peak 1680 from aliabs.peaks (2.91, 2.08, 30.20 ppm; 4.30 A): 3 out of 6 assignments used, quality = 1.00: * HE3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 4.8=72, 1739/1.8=14...(60) HE2 LYS 61 + HB3 LYS 61 OK 98 99 - 100 - 4.8=72, 1728/1.8=14...(60) HB3 HIS 14 + HB3 LYS 61 OK 51 85 - 59 - 3.0/9817=13, ~9856=12...(19) HE3 LYS 61 - HB2 GLU 131 OK 20 90 - 22 - 4.8/1663=3, 5.8/1672=3...(9) HE2 LYS 61 - HB2 GLU 131 OK 19 88 - 22 - 4.8/1663=3, 5.8/1672=3...(9) HB3 HIS 14 - HB2 GLU 131 lone 3 72 - 4 - Peak 1683 from aliabs.peaks (3.60, 1.25, 25.30 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.98: * HA LYS 61 + HG2 LYS 61 OK 93 100 - 93 - 3.8=68, 3.0/1682=12...(33) HA LYS 61 + HG3 LYS 61 OK 74 81 - 92 - 3.8=68, 1653/1.8=12...(33) HA ARG 109 - HG2 LYS 61 OK 22 89 - 25 - 1661/3.0=5, 1672/3.0=5...(9) HA ARG 109 - HG3 LYS 61 OK 17 66 - 26 - 1661/3.0=5, 1672/3.0=5...(10) HA2 GLY 31 - HG2 LYS 61 lone 8 98 - 8 - 1661/3.0=2, 1672/3.0=2 HA2 GLY 31 - HG3 LYS 61 lone 6 76 - 8 - 1661/3.0=2, 1672/3.0=2 Peak 1684 from aliabs.peaks (1.96, 1.25, 25.30 ppm; 3.48 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 61 + HG3 LYS 61 OK 81 81 - 100 - 3.0=100 HB3 PRO 98 + HG2 LYS 61 OK 51 96 - 53 - 1673/3.0=6, 2.3/9143=5...(30) HB3 PRO 98 - HG3 LYS 61 OK 39 74 - 53 - 1673/3.0=6, 2.3/9143=5...(30) HB3 GLU 122 - HG2 LYS 61 OK 25 98 - 25 - 4077/3.0=4, 1651/3.8=2...(9) HB3 GLU 122 - HG3 LYS 61 OK 19 76 - 25 - 4077/3.0=4, 1651/3.8=2...(9) HB2 LYS 34 - HG2 LYS 61 OK 19 96 - 19 - 1673/3.0=3, 1651/3.8=2 HB3 MET 11 - HG2 LYS 61 OK 18 94 - 19 - 1673/3.0=3, 1651/3.8=3...(9) HB2 LYS 34 - HG3 LYS 61 OK 14 74 - 19 - 1673/3.0=3, 1651/3.8=2 HB3 MET 11 - HG3 LYS 61 OK 13 71 - 19 - 1673/3.0=3, 1651/3.8=3...(9) HG2 PRO 12 - HG2 LYS 61 lone 6 89 - 6 - HG2 PRO 12 - HG3 LYS 61 lone 4 66 - 6 - Peak 1685 from aliabs.peaks (2.08, 1.25, 25.30 ppm; 3.41 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HB3 LYS 61 + HG3 LYS 61 OK 81 81 - 100 - 3.0=100 HB2 PRO 129 - HG2 LYS 61 OK 36 100 - 37 - 1663/3.0=4, ~10269=3...(19) HB2 PRO 129 - HG3 LYS 61 OK 28 79 - 36 - 1663/3.0=4, 1652/3.8=3...(19) HB2 GLU 131 - HG2 LYS 61 OK 28 100 - 28 - 1663/3.0=4, 1672/3.8=3...(13) HB2 GLU 131 - HG3 LYS 61 OK 22 80 - 28 - 1663/3.0=4, 1672/3.8=3...(13) HG2 GLU 122 - HG2 LYS 61 OK 19 89 - 21 - 1663/3.0=3, 1652/3.8=2...(8) HB2 LEU 26 - HG2 LYS 61 OK 18 100 - 18 - 1663/3.0=2, 1652/3.8=2...(5) HB2 LEU 26 - HG3 LYS 61 OK 14 79 - 18 - 1663/3.0=2, 1652/3.8=2...(5) HG2 GLU 122 - HG3 LYS 61 OK 14 66 - 21 - 1663/3.0=3, 1652/3.8=2...(8) HG3 PRO 33 - HG2 LYS 61 OK 12 99 - 12 - 1663/3.0=1, 1740/3.8=1 HD2 ARG 49 - HG2 LYS 61 OK 12 100 - 11 - 1652/3.8=1, 1663/3.0=1 HG3 PRO 33 - HG3 LYS 61 poor 9 78 - 12 - 1663/3.0=1, 1740/3.8=1 HD2 ARG 49 - HG3 LYS 61 poor 9 80 - 11 - 1652/3.8=1, 1663/3.0=1 HG2 PRO 33 - HG2 LYS 61 poor 7 62 - 11 - HG2 PRO 33 - HG3 LYS 61 poor 5 43 - 11 - HA ARG 35 - HG2 LYS 61 lone 1 68 - 2 - HB3 GLU 142 - HG2 LYS 61 lone 1 77 - 2 - HB3 GLU 142 - HG3 LYS 61 lone 1 55 - 2 - HA ARG 35 - HG3 LYS 61 lone 1 47 - 2 - Peak 1686 from aliabs.peaks (1.25, 1.25, 25.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 71 71 - 100 Peak 1687 from aliabs.peaks (1.26, 1.25, 25.30 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG2 LYS 61 + HG2 LYS 61 OK 94 94 - 100 HG3 LYS 61 + HG3 LYS 61 OK 81 81 - 100 Reference assignment not found: HG3 LYS 61 - HG2 LYS 61 Peak 1688 from aliabs.peaks (1.60, 1.25, 25.30 ppm; 2.97 A): 5 out of 20 assignments used, quality = 1.00: * HD2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HD2 LYS 61 + HG3 LYS 61 OK 81 81 - 100 - 3.0=100 HD3 LYS 61 + HG3 LYS 61 OK 80 80 - 100 - 3.0=100 HB2 LEU 97 + HG2 LYS 61 OK 50 89 - 57 - 3198=5, 3198/1.8=5...(32) HB2 LEU 97 - HG3 LYS 61 OK 37 66 - 57 - 3198=6, 3198/1.8=4...(31) HB2 LEU 79 - HG2 LYS 61 OK 11 100 - 11 - ~2375=1, ~2375=1 HB2 LEU 79 - HG3 LYS 61 poor 9 80 - 11 - ~2375=1, ~2375=1 HB2 LEU 66 - HG2 LYS 61 lone 3 62 - 4 - HG LEU 108 - HG2 LYS 61 lone 2 81 - 3 - HG3 LYS 36 - HG2 LYS 61 lone 2 72 - 3 - HG2 ARG 141 - HG2 LYS 61 lone 2 85 - 2 - HB2 LEU 66 - HG3 LYS 61 lone 2 43 - 4 - HG LEU 108 - HG3 LYS 61 lone 2 59 - 3 - HG3 LYS 36 - HG3 LYS 61 lone 2 51 - 3 - HG2 ARG 141 - HG3 LYS 61 lone 1 62 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 96 - 1 - HG2 ARG 144 - HG3 LYS 61 lone 1 74 - 1 - HG3 ARG 124 - HG2 LYS 61 lone 1 72 - 1 - HG3 ARG 124 - HG3 LYS 61 lone 1 51 - 1 - Peak 1689 from aliabs.peaks (1.59, 1.25, 25.30 ppm; 2.97 A): 5 out of 20 assignments used, quality = 1.00: * HD3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HD2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 + HG3 LYS 61 OK 81 81 - 100 - 3.0=100 HD2 LYS 61 + HG3 LYS 61 OK 80 80 - 100 - 3.0=100 HB2 LEU 97 + HG2 LYS 61 OK 48 85 - 56 - 3198=5, 3198/1.8=4...(32) HB2 LEU 97 - HG3 LYS 61 OK 35 62 - 56 - 3198=5, 3198/1.8=4...(31) HB2 LEU 79 - HG2 LYS 61 OK 11 100 - 11 - ~2375=1, ~2375=1 HB2 LEU 79 - HG3 LYS 61 poor 9 81 - 11 - ~2375=1, ~2375=1 HB2 LEU 66 - HG2 LYS 61 lone 3 68 - 4 - HG3 LYS 36 - HG2 LYS 61 lone 2 77 - 3 - HG LEU 108 - HG2 LYS 61 lone 2 77 - 3 - HB2 LEU 66 - HG3 LYS 61 lone 2 47 - 4 - HG2 ARG 141 - HG2 LYS 61 lone 2 81 - 2 - HG3 LYS 36 - HG3 LYS 61 lone 2 55 - 3 - HG LEU 108 - HG3 LYS 61 lone 2 55 - 3 - HG2 ARG 144 - HG2 LYS 61 lone 1 94 - 1 - HG2 ARG 141 - HG3 LYS 61 lone 1 59 - 2 - HG2 ARG 144 - HG3 LYS 61 lone 1 71 - 1 - HG3 ARG 124 - HG2 LYS 61 lone 1 77 - 1 - HG3 ARG 124 - HG3 LYS 61 lone 1 55 - 1 - Peak 1690 from aliabs.peaks (2.92, 1.25, 25.30 ppm; 3.39 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 61 + HG2 LYS 61 OK 98 100 - 98 - 3.8=69, 1.8/1730=9...(71) HE3 LYS 61 + HG2 LYS 61 OK 97 99 - 98 - 3.8=69, 1.8/1730=9...(71) HE2 LYS 61 + HG3 LYS 61 OK 79 81 - 98 - 3.8=69, 1730/1.8=9...(71) HE3 LYS 61 + HG3 LYS 61 OK 76 78 - 98 - 3.8=69, 1730/1.8=9...(71) HB3 HIS 14 - HG2 LYS 61 OK 38 96 - 39 - ~9856=5, 1668/3.0=4...(17) HB3 HIS 14 - HG3 LYS 61 OK 29 74 - 39 - ~9856=5, 1668/3.0=4...(17) Peak 1691 from aliabs.peaks (2.91, 1.25, 25.30 ppm; 3.39 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 61 + HG2 LYS 61 OK 98 100 - 98 - 3.8=69, 1.8/1730=9...(71) HE2 LYS 61 + HG2 LYS 61 OK 97 99 - 98 - 3.8=69, 1.8/1741=9...(71) HE3 LYS 61 + HG3 LYS 61 OK 79 81 - 98 - 3.8=69, 1730/1.8=9...(71) HE2 LYS 61 + HG3 LYS 61 OK 76 78 - 98 - 3.8=69, 1730/1.8=9...(71) HB3 HIS 14 - HG2 LYS 61 OK 33 85 - 39 - ~9856=5, 1668/3.0=4...(17) HB3 HIS 14 - HG3 LYS 61 OK 24 62 - 38 - ~9856=5, 1668/3.0=4...(17) Peak 1694 from aliabs.peaks (3.60, 1.26, 25.30 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.98: * HA LYS 61 + HG3 LYS 61 OK 94 100 - 94 - 3.8=71, 1653/1.8=13...(33) HA LYS 61 + HG2 LYS 61 OK 75 81 - 93 - 3.8=71, 1653/1.8=12...(32) HA ARG 109 - HG3 LYS 61 OK 24 89 - 27 - 1661/3.0=6, 1672/3.0=5...(9) HA ARG 109 - HG2 LYS 61 OK 18 66 - 27 - 3.0/11117=6, 1661/3.0=6...(9) HA2 GLY 31 - HG3 LYS 61 lone 8 98 - 8 - 1661/3.0=2, 1672/3.0=2...(4) HA2 GLY 31 - HG2 LYS 61 lone 6 76 - 8 - 1661/3.0=2, 1672/3.0=2...(4) Peak 1695 from aliabs.peaks (1.96, 1.26, 25.30 ppm; 3.57 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 61 + HG2 LYS 61 OK 81 81 - 100 - 3.0=100 HB3 PRO 98 + HG3 LYS 61 OK 53 96 - 56 - 1673/3.0=6, 2.3/9143=5...(30) HB3 PRO 98 - HG2 LYS 61 OK 38 74 - 52 - 1673/3.0=6, 2.3/9143=5...(27) HB3 GLU 122 - HG3 LYS 61 OK 26 98 - 27 - 4077/3.0=4, 1651/3.8=2...(11) HB3 GLU 122 - HG2 LYS 61 OK 20 76 - 26 - 4077/3.0=4, 1651/3.8=2...(11) HB2 LYS 34 - HG3 LYS 61 OK 19 96 - 20 - 1673/3.0=3, 1651/3.8=2 HB3 MET 11 - HG3 LYS 61 OK 19 94 - 20 - 1651/3.8=3, 1673/3.0=3...(11) HB2 LYS 34 - HG2 LYS 61 OK 15 74 - 20 - 1673/3.0=3, 1651/3.8=2 HB3 MET 11 - HG2 LYS 61 OK 14 71 - 20 - 1651/3.8=3, 1673/3.0=3...(11) HG2 PRO 12 - HG3 LYS 61 lone 6 89 - 6 - HG2 PRO 12 - HG2 LYS 61 lone 4 66 - 6 - Peak 1696 from aliabs.peaks (2.08, 1.26, 25.30 ppm; 3.46 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HB3 LYS 61 + HG2 LYS 61 OK 81 81 - 100 - 3.0=100 HB2 PRO 129 - HG3 LYS 61 OK 38 100 - 38 - 2.3/10269=4, 1663/3.0=4...(20) HB2 PRO 129 - HG2 LYS 61 OK 30 79 - 38 - 1663/3.0=4, ~10269=4...(20) HB2 GLU 131 - HG3 LYS 61 OK 29 100 - 29 - 1663/3.0=4, 1672/3.8=3...(13) HB2 GLU 131 - HG2 LYS 61 OK 22 80 - 28 - 1663/3.0=4, 1672/3.8=3...(13) HG2 GLU 122 - HG3 LYS 61 OK 19 89 - 22 - 1663/3.0=3, 1652/3.8=2...(10) HB2 LEU 26 - HG3 LYS 61 OK 19 100 - 19 - 1663/3.0=2, 1652/3.8=2...(5) HB2 LEU 26 - HG2 LYS 61 OK 15 79 - 19 - 1663/3.0=2, 1652/3.8=2...(5) HG2 GLU 122 - HG2 LYS 61 OK 14 66 - 21 - 1663/3.0=3, 1652/3.8=2...(10) HG3 PRO 33 - HG3 LYS 61 OK 12 99 - 12 - 1663/3.0=2, 1740/3.8=1...(5) HD2 ARG 49 - HG3 LYS 61 OK 12 100 - 12 - 1652/3.8=1, 1663/3.0=1 HG3 PRO 33 - HG2 LYS 61 poor 9 78 - 12 - 1663/3.0=2, 1740/3.8=1...(5) HD2 ARG 49 - HG2 LYS 61 poor 9 80 - 11 - 1652/3.8=1, 1663/3.0=1 HG2 PRO 33 - HG3 LYS 61 poor 7 62 - 11 - HG2 PRO 33 - HG2 LYS 61 poor 5 43 - 11 - HB3 GLU 142 - HG3 LYS 61 lone 2 77 - 2 - HA ARG 35 - HG3 LYS 61 lone 1 68 - 2 - HB3 GLU 142 - HG2 LYS 61 lone 1 55 - 2 - HA ARG 35 - HG2 LYS 61 lone 1 47 - 2 - Peak 1697 from aliabs.peaks (1.25, 1.26, 25.30 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG3 LYS 61 + HG3 LYS 61 OK 94 94 - 100 HG2 LYS 61 + HG2 LYS 61 OK 81 81 - 100 Reference assignment not found: HG2 LYS 61 - HG3 LYS 61 Peak 1698 from aliabs.peaks (1.26, 1.26, 25.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 HG2 LYS 61 + HG2 LYS 61 OK 71 71 - 100 Peak 1699 from aliabs.peaks (1.60, 1.26, 25.30 ppm; 3.00 A): 5 out of 20 assignments used, quality = 1.00: * HD2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HD2 LYS 61 + HG2 LYS 61 OK 81 81 - 100 - 3.0=100 HD3 LYS 61 + HG2 LYS 61 OK 80 80 - 100 - 3.0=100 HB2 LEU 97 + HG3 LYS 61 OK 51 89 - 58 - 3198=6, 3198/1.8=4...(31) HB2 LEU 97 - HG2 LYS 61 OK 36 66 - 55 - 3198/1.8=5, 3198=4...(30) HB2 LEU 79 - HG3 LYS 61 OK 11 100 - 11 - ~2375=1, ~2375=1 HB2 LEU 79 - HG2 LYS 61 poor 9 80 - 11 - ~2375=1, ~2375=1 HB2 LEU 66 - HG3 LYS 61 lone 3 62 - 4 - HG LEU 108 - HG3 LYS 61 lone 2 81 - 3 - HG3 LYS 36 - HG3 LYS 61 lone 2 72 - 3 - HG2 ARG 141 - HG3 LYS 61 lone 2 85 - 2 - HB2 LEU 66 - HG2 LYS 61 lone 2 43 - 4 - HG LEU 108 - HG2 LYS 61 lone 2 59 - 3 - HG3 LYS 36 - HG2 LYS 61 lone 2 51 - 3 - HG2 ARG 144 - HG3 LYS 61 lone 1 96 - 1 - HG2 ARG 141 - HG2 LYS 61 lone 1 62 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 74 - 1 - HG3 ARG 124 - HG3 LYS 61 lone 1 72 - 1 - HG3 ARG 124 - HG2 LYS 61 lone 1 51 - 1 - Peak 1700 from aliabs.peaks (1.59, 1.26, 25.30 ppm; 3.00 A): 5 out of 20 assignments used, quality = 1.00: * HD3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HD2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 + HG2 LYS 61 OK 81 81 - 100 - 3.0=100 HD2 LYS 61 + HG2 LYS 61 OK 80 80 - 100 - 3.0=100 HB2 LEU 97 + HG3 LYS 61 OK 49 85 - 58 - 3198=6, 3198/1.8=4...(31) HB2 LEU 97 - HG2 LYS 61 OK 34 62 - 55 - 3198/1.8=4, 1666/3.0=4...(30) HB2 LEU 79 - HG3 LYS 61 OK 11 100 - 11 - ~2375=1, ~2375=1 HB2 LEU 79 - HG2 LYS 61 poor 9 81 - 11 - ~2375=1, ~2375=1 HB2 LEU 66 - HG3 LYS 61 lone 3 68 - 4 - HG3 LYS 36 - HG3 LYS 61 lone 3 77 - 3 - HG LEU 108 - HG3 LYS 61 lone 2 77 - 3 - HB2 LEU 66 - HG2 LYS 61 lone 2 47 - 4 - HG2 ARG 141 - HG3 LYS 61 lone 2 81 - 2 - HG3 LYS 36 - HG2 LYS 61 lone 2 55 - 3 - HG LEU 108 - HG2 LYS 61 lone 2 55 - 3 - HG2 ARG 144 - HG3 LYS 61 lone 1 94 - 1 - HG2 ARG 141 - HG2 LYS 61 lone 1 59 - 2 - HG2 ARG 144 - HG2 LYS 61 lone 1 71 - 1 - HG3 ARG 124 - HG3 LYS 61 lone 1 77 - 1 - HG3 ARG 124 - HG2 LYS 61 lone 1 55 - 1 - Peak 1701 from aliabs.peaks (2.92, 1.26, 25.30 ppm; 3.44 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 61 + HG3 LYS 61 OK 99 100 - 99 - 3.8=73, 1.8/1742=9...(71) HE3 LYS 61 + HG3 LYS 61 OK 97 99 - 99 - 3.8=73, 1.8/1731=9...(71) HE2 LYS 61 + HG2 LYS 61 OK 79 81 - 99 - 3.8=73, 1731/1.8=9...(71) HE3 LYS 61 + HG2 LYS 61 OK 76 78 - 99 - 3.8=73, 1742/1.8=9...(71) HB3 HIS 14 - HG3 LYS 61 OK 39 96 - 40 - ~9856=5, 1668/3.0=4...(17) HB3 HIS 14 - HG2 LYS 61 OK 29 74 - 40 - ~9856=5, 1668/3.0=4...(17) Peak 1702 from aliabs.peaks (2.91, 1.26, 25.30 ppm; 3.44 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 61 + HG3 LYS 61 OK 99 100 - 99 - 3.8=73, 1741/1.8=9...(71) HE2 LYS 61 + HG3 LYS 61 OK 97 99 - 99 - 3.8=73, 1.8/1742=9...(71) HE3 LYS 61 + HG2 LYS 61 OK 79 81 - 99 - 3.8=73, 1742/1.8=9...(71) HE2 LYS 61 + HG2 LYS 61 OK 76 78 - 99 - 3.8=73, 1731/1.8=9...(71) HB3 HIS 14 - HG3 LYS 61 OK 33 85 - 39 - ~9856=5, 1668/3.0=4...(17) HB3 HIS 14 - HG2 LYS 61 OK 24 62 - 39 - ~9856=5, 1668/3.0=4...(17) Peak 1705 from aliabs.peaks (3.60, 1.60, 28.90 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 61 + HD2 LYS 61 OK 95 100 - 95 - 5.2=34, 1683/3.0=13...(46) HA LYS 61 + HD3 LYS 61 OK 95 100 - 95 - 5.2=34, 1683/3.0=13...(46) HA ARG 109 - HD2 LYS 61 OK 28 89 - 32 - 1661/3.6=5, 1672/3.6=5...(13) HA ARG 109 - HD3 LYS 61 OK 28 88 - 32 - 1661/3.6=5, 1672/3.6=5...(12) HA2 GLY 31 - HD2 LYS 61 OK 11 98 - 11 - 8016/10598=3, 1661/3.6=2...(7) HA2 GLY 31 - HD3 LYS 61 OK 11 98 - 11 - 8016/10598=3, 1661/3.6=2...(7) Peak 1706 from aliabs.peaks (1.96, 1.60, 28.90 ppm; 3.15 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=65, 1.8/1677=11...(71) HB2 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=65, 1.8/1677=11...(71) HB3 PRO 98 - HD2 LYS 61 OK 26 96 - 27 - 1673/3.6=4, 1684/3.0=3...(14) HB3 PRO 98 - HD3 LYS 61 OK 26 96 - 27 - 1673/3.6=4, 1684/3.0=3...(14) HB3 GLU 122 - HD2 LYS 61 OK 12 98 - 12 - 4077/3.6=2, 1695/3.0=1...(4) HB3 GLU 122 - HD3 LYS 61 OK 12 98 - 12 - 4077/3.6=2, 1695/3.0=1...(4) HB3 MET 11 - HD2 LYS 61 OK 12 94 - 12 - 4.2/10598=4, 1673/3.6=2...(7) HB3 MET 11 - HD3 LYS 61 OK 12 94 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB2 LYS 34 - HD2 LYS 61 lone 8 96 - 9 - 1673/3.6=2, 1651/5.2=1...(4) HB2 LYS 34 - HD3 LYS 61 lone 8 96 - 9 - 1673/3.6=2, 1651/5.2=1...(4) HG2 PRO 12 - HD2 LYS 61 lone 3 89 - 3 - HG2 PRO 12 - HD3 LYS 61 lone 3 88 - 3 - Peak 1707 from aliabs.peaks (2.08, 1.60, 28.90 ppm; 3.17 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=67, 1.8/1717=11...(68) HB3 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=67, 1.8/1706=11...(68) HB2 PRO 129 - HD2 LYS 61 OK 15 100 - 15 - 1663/3.6=3, ~10269=2...(7) HB2 PRO 129 - HD3 LYS 61 OK 15 99 - 15 - 1663/3.6=3, ~10269=2...(7) HB2 GLU 131 - HD2 LYS 61 OK 13 100 - 13 - 1663/3.6=3, 1672/5.2=2...(8) HB2 GLU 131 - HD3 LYS 61 OK 13 100 - 13 - 1663/3.6=3, 1672/5.2=2...(8) HG3 PRO 33 - HD2 LYS 61 OK 12 99 - 12 - ~9787=3, ~9789=2...(5) HG3 PRO 33 - HD3 LYS 61 OK 11 99 - 12 - ~9787=3, ~9789=2...(5) HG2 GLU 122 - HD2 LYS 61 poor 9 89 - 10 - 1663/3.6=2, 1696/3.0=1 HG2 GLU 122 - HD3 LYS 61 poor 9 88 - 10 - 1663/3.6=2, 1696/3.0=1 HB2 LEU 26 - HD2 LYS 61 lone 8 100 - 8 - 1663/3.6=2, 1685/3.0=1 HB2 LEU 26 - HD3 LYS 61 lone 8 99 - 8 - 1663/3.6=2, 1685/3.0=1 HG2 PRO 33 - HD2 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2 HG2 PRO 33 - HD3 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2 HD2 ARG 49 - HD2 LYS 61 lone 5 100 - 5 - HD2 ARG 49 - HD3 LYS 61 lone 5 100 - 5 - HA ARG 35 - HD2 LYS 61 lone 1 68 - 2 - HA ARG 35 - HD3 LYS 61 lone 1 67 - 2 - HB3 GLU 142 - HD3 LYS 61 lone 1 77 - 1 - HB3 GLU 142 - HD2 LYS 61 lone 1 77 - 1 - Peak 1708 from aliabs.peaks (1.25, 1.60, 28.90 ppm; 2.78 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.0=82, 1688/1.8=6...(67) HG2 LYS 61 + HD3 LYS 61 OK 96 100 - 97 - 3.0=82, 1688/1.8=6...(67) HG3 LYS 61 + HD2 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1688=6...(67) HG3 LYS 61 + HD3 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1688=6...(67) HB3 LEU 97 - HD2 LYS 61 OK 34 89 - 38 - 3204/1.8=2, 11426/5.2=2...(14) HB3 LEU 97 - HD3 LYS 61 OK 34 88 - 38 - 3204/1.8=2, 11426/5.2=2...(15) HG13 ILE 58 - HD3 LYS 61 OK 18 91 - 20 - 3.2/9824=3, ~9824=2...(9) HB2 LEU 132 - HD2 LYS 61 OK 17 85 - 20 - 1676/3.6=2, 1665/3.6=2...(8) HG13 ILE 58 - HD2 LYS 61 OK 17 92 - 19 - 3.2/9824=3, ~9824=2...(8) HB2 LEU 132 - HD3 LYS 61 OK 17 85 - 20 - 1676/3.6=2, 1665/3.6=2...(8) HG12 ILE 58 - HD3 LYS 61 OK 13 67 - 19 - 3.2/9824=3, ~9824=2...(8) HG12 ILE 58 - HD2 LYS 61 OK 12 68 - 18 - 3.2/9824=3, ~9824=2...(7) QG2 THR 99 - HD2 LYS 61 lone 3 72 - 4 - QG2 THR 99 - HD3 LYS 61 lone 3 72 - 4 - QG2 THR 102 - HD2 LYS 61 lone 1 68 - 2 - QG2 THR 102 - HD3 LYS 61 lone 1 67 - 2 - Peak 1709 from aliabs.peaks (1.26, 1.60, 28.90 ppm; 2.78 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.0=82, 1.8/1689=6...(67) HG3 LYS 61 + HD3 LYS 61 OK 96 100 - 97 - 3.0=82, 1.8/1689=6...(67) HG2 LYS 61 + HD2 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1700=6...(67) HG2 LYS 61 + HD3 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1700=6...(67) HB3 LEU 97 - HD3 LYS 61 OK 40 100 - 40 - 3204/1.8=3, 1665/3.6=3...(15) HB3 LEU 97 - HD2 LYS 61 OK 40 100 - 40 - 3204/1.8=3, 1665/3.6=3...(14) HB2 LEU 132 - HD2 LYS 61 OK 21 100 - 21 - 1676/3.6=2, 1665/3.6=2...(9) HB2 LEU 132 - HD3 LYS 61 OK 21 99 - 21 - 1676/3.6=2, 1665/3.6=2...(9) HG13 ILE 58 - HD3 LYS 61 OK 12 62 - 19 - 3.2/9824=3, ~9824=2...(8) HG13 ILE 58 - HD2 LYS 61 OK 11 62 - 18 - 3.2/9824=3, ~9824=2...(7) QG2 THR 99 - HD2 LYS 61 lone 4 96 - 4 - QG2 THR 99 - HD3 LYS 61 lone 4 96 - 4 - QG2 THR 102 - HD2 LYS 61 lone 2 94 - 2 - QG2 THR 102 - HD3 LYS 61 lone 2 94 - 2 - Peak 1710 from aliabs.peaks (1.60, 1.60, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 Peak 1711 from aliabs.peaks (1.59, 1.60, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 Reference assignment not found: HD3 LYS 61 - HD2 LYS 61 Peak 1712 from aliabs.peaks (2.92, 1.60, 28.90 ppm; 2.66 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 61 + HD2 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1744=7...(33) HE2 LYS 61 + HD3 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1744=7...(33) HE3 LYS 61 + HD2 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1733=7...(33) HE3 LYS 61 + HD3 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1733=7...(33) HB3 HIS 14 - HD2 LYS 61 OK 20 96 - 21 - 137/3.0=2, 3.0/9857=2...(11) HB3 HIS 14 - HD3 LYS 61 OK 20 96 - 21 - 137/3.0=2, 3.0/9857=2...(11) Peak 1713 from aliabs.peaks (2.91, 1.60, 28.90 ppm; 2.66 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 61 + HD2 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1733=7...(33) HE3 LYS 61 + HD3 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1733=7...(33) HE2 LYS 61 + HD2 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1744=7...(33) HE2 LYS 61 + HD3 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1744=7...(33) HB3 HIS 14 - HD2 LYS 61 OK 17 85 - 20 - 3.0/9857=2, 1668/3.6=2...(11) HB3 HIS 14 - HD3 LYS 61 OK 17 85 - 20 - 3.0/9857=2, 1668/3.6=2...(11) Peak 1716 from aliabs.peaks (3.60, 1.59, 28.90 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 61 + HD3 LYS 61 OK 95 100 - 95 - 5.2=34, 1683/3.0=13...(46) HA LYS 61 + HD2 LYS 61 OK 95 100 - 95 - 5.2=34, 1683/3.0=13...(46) HA ARG 109 - HD3 LYS 61 OK 28 89 - 32 - 1661/3.6=5, 1672/3.6=5...(13) HA ARG 109 - HD2 LYS 61 OK 28 88 - 32 - 1661/3.6=5, 1672/3.6=5...(12) HA2 GLY 31 - HD2 LYS 61 OK 11 98 - 11 - 8016/10598=3, 1661/3.6=2...(7) HA2 GLY 31 - HD3 LYS 61 OK 11 98 - 11 - 8016/10598=2, 1661/3.6=2...(7) Peak 1717 from aliabs.peaks (1.96, 1.59, 28.90 ppm; 3.15 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=65, 1.8/1677=11...(71) HB2 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=65, 1.8/1677=11...(71) HB3 PRO 98 - HD3 LYS 61 OK 26 96 - 27 - 1673/3.6=4, 1684/3.0=3...(14) HB3 PRO 98 - HD2 LYS 61 OK 26 96 - 27 - 1673/3.6=4, 1684/3.0=3...(14) HB3 GLU 122 - HD3 LYS 61 OK 12 98 - 12 - 4077/3.6=2, 1695/3.0=1...(4) HB3 GLU 122 - HD2 LYS 61 OK 12 98 - 12 - 4077/3.6=2, 1695/3.0=1...(4) HB3 MET 11 - HD2 LYS 61 OK 12 94 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB3 MET 11 - HD3 LYS 61 OK 12 94 - 12 - 4.2/10598=3, 1673/3.6=2...(7) HB2 LYS 34 - HD3 LYS 61 lone 8 96 - 9 - 1673/3.6=2, 1651/5.2=1...(4) HB2 LYS 34 - HD2 LYS 61 lone 8 96 - 9 - 1673/3.6=2, 1651/5.2=1...(4) HG2 PRO 12 - HD3 LYS 61 lone 3 89 - 3 - HG2 PRO 12 - HD2 LYS 61 lone 3 88 - 3 - Peak 1718 from aliabs.peaks (2.08, 1.59, 28.90 ppm; 3.17 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.6=67, 1.8/1706=11...(68) HB3 LYS 61 + HD2 LYS 61 OK 97 100 - 97 - 3.6=67, 1.8/1717=11...(68) HB2 PRO 129 - HD3 LYS 61 OK 15 100 - 15 - 1663/3.6=3, ~10269=2...(7) HB2 PRO 129 - HD2 LYS 61 OK 15 99 - 15 - 1663/3.6=3, ~10269=2...(7) HB2 GLU 131 - HD3 LYS 61 OK 13 100 - 13 - 1663/3.6=3, 1672/5.2=2...(8) HB2 GLU 131 - HD2 LYS 61 OK 13 100 - 13 - 1663/3.6=3, 1672/5.2=2...(8) HG3 PRO 33 - HD3 LYS 61 OK 12 99 - 12 - ~9787=3, ~9789=2...(5) HG3 PRO 33 - HD2 LYS 61 OK 11 99 - 12 - ~9787=3, ~9789=2...(5) HG2 GLU 122 - HD3 LYS 61 poor 9 89 - 10 - 1663/3.6=2, 1696/3.0=1 HG2 GLU 122 - HD2 LYS 61 poor 9 88 - 10 - 1663/3.6=2, 1696/3.0=1 HB2 LEU 26 - HD3 LYS 61 lone 8 100 - 8 - 1663/3.6=2, 1685/3.0=1 HB2 LEU 26 - HD2 LYS 61 lone 8 99 - 8 - 1663/3.6=2, 1685/3.0=1 HG2 PRO 33 - HD3 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2 HG2 PRO 33 - HD2 LYS 61 poor 7 62 - 11 - ~9787=3, ~9789=2 HD2 ARG 49 - HD2 LYS 61 lone 5 100 - 5 - HD2 ARG 49 - HD3 LYS 61 lone 5 100 - 5 - HA ARG 35 - HD3 LYS 61 lone 1 68 - 2 - HA ARG 35 - HD2 LYS 61 lone 1 67 - 2 - HB3 GLU 142 - HD3 LYS 61 lone 1 77 - 1 - HB3 GLU 142 - HD2 LYS 61 lone 1 77 - 1 - Peak 1719 from aliabs.peaks (1.25, 1.59, 28.90 ppm; 2.78 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.0=82, 1689/1.8=6...(67) HG2 LYS 61 + HD2 LYS 61 OK 96 100 - 97 - 3.0=82, 1688/1.8=6...(67) HG3 LYS 61 + HD3 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1688=6...(67) HG3 LYS 61 + HD2 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1688=6...(67) HB3 LEU 97 - HD3 LYS 61 OK 34 89 - 38 - 3204/1.8=2, 11426/5.2=2...(14) HB3 LEU 97 - HD2 LYS 61 OK 33 88 - 38 - 3204/1.8=2, 11426/5.2=2...(14) HG13 ILE 58 - HD3 LYS 61 OK 18 92 - 20 - 3.2/9824=3, ~9824=2...(9) HB2 LEU 132 - HD3 LYS 61 OK 17 85 - 20 - 1676/3.6=2, 1665/3.6=2...(8) HB2 LEU 132 - HD2 LYS 61 OK 17 85 - 20 - 1676/3.6=2, 1665/3.6=2...(8) HG13 ILE 58 - HD2 LYS 61 OK 17 91 - 19 - 3.2/9824=3, ~9824=2...(8) HG12 ILE 58 - HD3 LYS 61 OK 13 68 - 19 - 3.2/9824=3, ~9824=2...(8) HG12 ILE 58 - HD2 LYS 61 OK 12 67 - 18 - 3.2/9824=3, ~9824=2...(7) QG2 THR 99 - HD3 LYS 61 lone 3 72 - 4 - QG2 THR 99 - HD2 LYS 61 lone 3 72 - 4 - QG2 THR 102 - HD3 LYS 61 lone 1 68 - 2 - QG2 THR 102 - HD2 LYS 61 lone 1 67 - 2 - Peak 1720 from aliabs.peaks (1.26, 1.59, 28.90 ppm; 2.78 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 61 + HD3 LYS 61 OK 97 100 - 97 - 3.0=82, 1.8/1689=6...(67) HG3 LYS 61 + HD2 LYS 61 OK 96 100 - 97 - 3.0=82, 1.8/1689=6...(67) HG2 LYS 61 + HD3 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1700=6...(67) HG2 LYS 61 + HD2 LYS 61 OK 91 94 - 97 - 3.0=82, 1.8/1700=6...(67) HB3 LEU 97 - HD3 LYS 61 OK 39 100 - 40 - 3204/1.8=3, 1665/3.6=3...(14) HB3 LEU 97 - HD2 LYS 61 OK 39 100 - 39 - 3204/1.8=3, 1665/3.6=3...(14) HB2 LEU 132 - HD3 LYS 61 OK 21 100 - 21 - 1676/3.6=2, 1665/3.6=2...(9) HB2 LEU 132 - HD2 LYS 61 OK 21 99 - 21 - 1676/3.6=2, 1665/3.6=2...(9) HG13 ILE 58 - HD3 LYS 61 OK 12 62 - 19 - 3.2/9824=3, ~9824=2...(8) HG13 ILE 58 - HD2 LYS 61 OK 11 62 - 18 - 3.2/9824=3, ~9824=2...(7) QG2 THR 99 - HD2 LYS 61 lone 4 96 - 4 - QG2 THR 99 - HD3 LYS 61 lone 4 96 - 4 - QG2 THR 102 - HD2 LYS 61 lone 2 94 - 2 - QG2 THR 102 - HD3 LYS 61 lone 2 94 - 2 - Peak 1721 from aliabs.peaks (1.60, 1.59, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Reference assignment not found: HD2 LYS 61 - HD3 LYS 61 Peak 1722 from aliabs.peaks (1.59, 1.59, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Peak 1723 from aliabs.peaks (2.92, 1.59, 28.90 ppm; 2.66 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 61 + HD3 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1744=7...(33) HE2 LYS 61 + HD2 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1744=7...(33) HE3 LYS 61 + HD3 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1733=7...(33) HE3 LYS 61 + HD2 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1733=7...(33) HB3 HIS 14 - HD3 LYS 61 OK 20 96 - 21 - 137/3.0=2, 3.0/9857=2...(11) HB3 HIS 14 - HD2 LYS 61 OK 20 96 - 21 - 137/3.0=2, 3.0/9857=2...(11) Peak 1724 from aliabs.peaks (2.91, 1.59, 28.90 ppm; 2.66 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 61 + HD3 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1733=7...(33) HE3 LYS 61 + HD2 LYS 61 OK 89 100 - 89 - 3.0=70, 1.8/1733=7...(33) HE2 LYS 61 + HD3 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1744=7...(33) HE2 LYS 61 + HD2 LYS 61 OK 88 99 - 89 - 3.0=70, 1.8/1744=7...(33) HB3 HIS 14 - HD3 LYS 61 OK 17 85 - 20 - 3.0/9857=2, 1668/3.6=2...(11) HB3 HIS 14 - HD2 LYS 61 OK 17 85 - 20 - 3.0/9857=2, 1668/3.6=2...(11) Peak 1727 from aliabs.peaks (3.60, 2.92, 41.80 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 61 + HE2 LYS 61 OK 96 100 - 96 - 5.8=39, 1683/3.8=13...(40) HA LYS 61 + HE3 LYS 61 OK 92 96 - 96 - 5.8=39, 1683/3.8=13...(40) HA ARG 109 - HE2 LYS 61 OK 24 89 - 27 - 1661/4.8=6, 1672/4.8=5...(8) HA ARG 109 - HE3 LYS 61 OK 22 81 - 27 - 1661/4.8=6, 1672/4.8=5...(8) HA2 GLY 31 - HE2 LYS 61 OK 13 98 - 13 - 8016/9764=4, 1661/4.8=2...(7) HA2 GLY 31 - HE3 LYS 61 OK 13 92 - 14 - 8016/9764=5, 1661/4.8=2...(7) Peak 1728 from aliabs.peaks (1.96, 2.92, 41.80 ppm; 3.49 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HE2 LYS 61 OK 96 100 - 96 - 4.8=38, 1728/1.8=11...(62) HB2 LYS 61 + HE3 LYS 61 OK 91 96 - 95 - 4.8=38, 1728/1.8=11...(62) HB3 PRO 98 - HE2 LYS 61 OK 22 96 - 23 - 1728=3, 1673/4.8=3...(9) HB3 PRO 98 - HE3 LYS 61 OK 20 90 - 23 - 1673/4.8=3, 1728=3...(10) HB3 MET 11 - HE2 LYS 61 OK 16 94 - 17 - 4.2/9764=5, 1739=2...(9) HB3 MET 11 - HE3 LYS 61 OK 15 87 - 18 - 4.2/9764=6, 1739=2...(9) HB2 LYS 34 - HE2 LYS 61 OK 13 96 - 13 - 1728=2, 1673/4.8=1...(7) HB2 LYS 34 - HE3 LYS 61 OK 12 90 - 13 - 1728=2, 1673/4.8=1...(7) HB3 GLU 122 - HE2 LYS 61 OK 12 98 - 12 - 4077/4.8=2, 1695/3.8=1...(6) HB3 GLU 122 - HE3 LYS 61 OK 11 92 - 12 - 4077/4.8=2, 1695/3.8=1...(6) HG2 PRO 12 - HE2 LYS 61 lone 2 89 - 3 - HG2 PRO 12 - HE3 LYS 61 lone 2 81 - 3 - Peak 1729 from aliabs.peaks (2.08, 2.92, 41.80 ppm; 3.69 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 61 + HE2 LYS 61 OK 97 100 - 97 - 4.8=45, 1.8/1728=12...(59) HB3 LYS 61 + HE3 LYS 61 OK 93 96 - 97 - 4.8=45, 1.8/1728=11...(59) HG3 PRO 33 - HE2 LYS 61 OK 23 99 - 23 - ~9787=4, 2.3/9787=4...(8) HG3 PRO 33 - HE3 LYS 61 OK 21 93 - 23 - ~9787=4, 2.3/9787=4...(8) HB2 GLU 131 - HE2 LYS 61 OK 17 100 - 17 - 1663/4.8=2, 1679=2...(9) HB2 GLU 131 - HE3 LYS 61 OK 16 95 - 17 - 1663/4.8=2, 1680=2...(9) HB2 PRO 129 - HE2 LYS 61 OK 16 100 - 16 - 1663/4.8=3, 1696/3.8=2...(9) HB2 PRO 129 - HE3 LYS 61 OK 15 94 - 16 - 1663/4.8=3, 1696/3.8=2...(9) HG2 PRO 33 - HE2 LYS 61 OK 14 62 - 22 - ~9787=4, 2.3/9787=4...(5) HB2 LEU 26 - HE2 LYS 61 OK 13 100 - 13 - 1663/4.8=1, 1740=1...(7) HB2 LEU 26 - HE3 LYS 61 OK 12 94 - 13 - 1663/4.8=1, 3.0/11141=1...(7) HG2 PRO 33 - HE3 LYS 61 OK 12 56 - 22 - ~9787=4, 2.3/9787=4...(5) HG2 GLU 122 - HE2 LYS 61 OK 12 89 - 13 - 1663/4.8=2, 1729=1...(9) HG2 GLU 122 - HE3 LYS 61 OK 11 81 - 13 - 1663/4.8=2, 1729=1...(9) HD2 ARG 49 - HE2 LYS 61 lone 7 100 - 7 - HD2 ARG 49 - HE3 LYS 61 lone 6 95 - 7 - HB3 GLU 142 - HE2 LYS 61 lone 1 77 - 1 - HA ARG 35 - HE2 LYS 61 lone 1 68 - 2 - HB3 GLU 142 - HE3 LYS 61 lone 1 70 - 1 - HA ARG 35 - HE3 LYS 61 lone 1 60 - 2 - Peak 1730 from aliabs.peaks (1.25, 2.92, 41.80 ppm; 2.82 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 61 + HE2 LYS 61 OK 91 100 - 91 - 3.8=40, 1730/1.8=7...(75) HG2 LYS 61 + HE3 LYS 61 OK 87 96 - 91 - 3.8=40, 1741/1.8=7...(75) HG3 LYS 61 + HE2 LYS 61 OK 86 94 - 91 - 3.8=40, 1.8/1730=7...(75) HG3 LYS 61 + HE3 LYS 61 OK 79 87 - 91 - 3.8=40, 1.8/1741=7...(75) HB3 LEU 97 - HE2 LYS 61 OK 19 89 - 22 - 1731=2, 1.8/1732=2...(7) HB3 LEU 97 - HE3 LYS 61 OK 17 81 - 21 - 1742=2, 3204/3.0=2...(7) HB2 LEU 132 - HE2 LYS 61 OK 14 85 - 17 - 3.2/8335=4, ~8335=2...(8) HB2 LEU 132 - HE3 LYS 61 OK 13 78 - 17 - 3.2/8335=3, ~8335=2...(8) HG13 ILE 58 - HE2 LYS 61 OK 12 92 - 13 - 2.1/8287=3, ~8287=2...(5) HG13 ILE 58 - HE3 LYS 61 OK 11 84 - 13 - 2.1/8287=3, ~8287=2...(5) HG12 ILE 58 - HE2 LYS 61 poor 8 68 - 12 - 2.1/8287=3, ~8287=2, ~9824=1 HG12 ILE 58 - HE3 LYS 61 poor 7 60 - 12 - 2.1/8287=3, ~8287=2, ~9824=1 QG2 THR 99 - HE2 LYS 61 lone 3 72 - 4 - 10158/1.8=2 QG2 THR 99 - HE3 LYS 61 lone 2 65 - 4 - 10158/1.8=2 QG2 THR 102 - HE2 LYS 61 lone 1 68 - 1 - QG2 THR 102 - HE3 LYS 61 lone 1 60 - 1 - Peak 1731 from aliabs.peaks (1.26, 2.92, 41.80 ppm; 2.82 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 61 + HE2 LYS 61 OK 91 100 - 91 - 3.8=40, 1.8/1741=7...(75) HG3 LYS 61 + HE3 LYS 61 OK 87 96 - 91 - 3.8=40, 1.8/1730=7...(75) HG2 LYS 61 + HE2 LYS 61 OK 86 94 - 91 - 3.8=40, 1.8/1741=7...(75) HG2 LYS 61 + HE3 LYS 61 OK 79 87 - 91 - 3.8=40, 1741/1.8=7...(75) HB3 LEU 97 - HE2 LYS 61 OK 24 100 - 25 - 1742=2, 11426/5.8=2...(8) HB3 LEU 97 - HE3 LYS 61 OK 23 95 - 24 - 11426/5.8=2, 1742=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 17 100 - 18 - 3.2/8335=4, ~8335=2...(8) HB2 LEU 132 - HE3 LYS 61 OK 17 94 - 18 - 3.2/8335=3, ~8335=2...(8) HG13 ILE 58 - HE2 LYS 61 poor 8 62 - 13 - 2.1/8287=3, ~8287=2...(4) HG13 ILE 58 - HE3 LYS 61 poor 7 56 - 13 - 2.1/8287=3, ~8287=2...(4) QG2 THR 99 - HE2 LYS 61 lone 5 96 - 5 - 10158/1.8=2 QG2 THR 99 - HE3 LYS 61 lone 5 90 - 5 - 10158/1.8=3 QG2 THR 102 - HE2 LYS 61 lone 1 94 - 1 - QG2 THR 102 - HE3 LYS 61 lone 1 87 - 1 - Peak 1732 from aliabs.peaks (1.60, 2.92, 41.80 ppm; 2.50 A): 4 out of 20 assignments used, quality = 1.00: * HD2 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE2 LYS 61 OK 84 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE3 LYS 61 OK 81 96 - 84 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE3 LYS 61 OK 81 95 - 84 - 3.0=58, 1712/1.8=7...(36) HB2 LEU 97 - HE2 LYS 61 OK 20 89 - 22 - 1743=2, 3198/3.8=2...(7) HB2 LEU 97 - HE3 LYS 61 OK 18 81 - 22 - 1733=2, 3198/3.8=2...(7) HB2 LEU 79 - HE2 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE3 LYS 61 lone 7 95 - 7 - HG3 LYS 36 - HE2 LYS 61 lone 2 72 - 2 - HG3 LYS 36 - HE3 LYS 61 lone 2 65 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 81 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 74 - 2 - HG2 ARG 141 - HE2 LYS 61 lone 1 85 - 1 - HB2 LEU 66 - HE2 LYS 61 lone 1 62 - 2 - HG2 ARG 141 - HE3 LYS 61 lone 1 78 - 1 - HB2 LEU 66 - HE3 LYS 61 lone 1 56 - 2 - HG2 ARG 144 - HE2 LYS 61 lone 1 96 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 90 - 1 - HG3 ARG 124 - HE2 LYS 61 lone 1 72 - 1 - HG3 ARG 124 - HE3 LYS 61 lone 0 65 - 1 - Peak 1733 from aliabs.peaks (1.59, 2.92, 41.80 ppm; 2.50 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 61 + HE2 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE2 LYS 61 OK 84 100 - 85 - 3.0=58, 1723/1.8=7...(36) HD3 LYS 61 + HE3 LYS 61 OK 81 96 - 84 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE3 LYS 61 OK 81 95 - 84 - 3.0=58, 1723/1.8=7...(36) HB2 LEU 97 - HE2 LYS 61 OK 19 85 - 22 - 1732=2, 3198/3.8=2...(7) HB2 LEU 97 - HE3 LYS 61 OK 17 78 - 22 - 1744=2, 3198/3.8=2...(7) HB2 LEU 79 - HE2 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE3 LYS 61 lone 7 96 - 7 - HG3 LYS 36 - HE2 LYS 61 lone 2 77 - 2 - HG3 LYS 36 - HE3 LYS 61 lone 2 70 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 77 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 70 - 2 - HB2 LEU 66 - HE2 LYS 61 lone 1 68 - 2 - HB2 LEU 66 - HE3 LYS 61 lone 1 60 - 2 - HG2 ARG 141 - HE2 LYS 61 lone 1 81 - 1 - HG2 ARG 141 - HE3 LYS 61 lone 1 74 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 94 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 87 - 1 - HG3 ARG 124 - HE2 LYS 61 lone 1 77 - 1 - HG3 ARG 124 - HE3 LYS 61 lone 1 70 - 1 - Peak 1734 from aliabs.peaks (2.92, 2.92, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE3 LYS 61 + HE3 LYS 61 OK 93 93 - 100 Peak 1735 from aliabs.peaks (2.91, 2.92, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 61 + HE2 LYS 61 OK 99 99 - 100 HE3 LYS 61 + HE3 LYS 61 OK 96 96 - 100 Reference assignment not found: HE3 LYS 61 - HE2 LYS 61 Peak 1738 from aliabs.peaks (3.60, 2.91, 41.80 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 61 + HE3 LYS 61 OK 96 100 - 96 - 5.8=39, 1683/3.8=13...(40) HA LYS 61 + HE2 LYS 61 OK 92 96 - 96 - 5.8=39, 1683/3.8=13...(40) HA ARG 109 - HE3 LYS 61 OK 24 89 - 27 - 1661/4.8=6, 1672/4.8=5...(8) HA ARG 109 - HE2 LYS 61 OK 22 81 - 27 - 1661/4.8=6, 1672/4.8=5...(8) HA2 GLY 31 - HE3 LYS 61 OK 14 98 - 14 - 8016/9764=5, 1661/4.8=2...(7) HA2 GLY 31 - HE2 LYS 61 OK 13 92 - 14 - 8016/9764=5, 1661/4.8=2...(7) Peak 1739 from aliabs.peaks (1.96, 2.91, 41.80 ppm; 3.49 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 61 + HE3 LYS 61 OK 96 100 - 96 - 4.8=38, 1728/1.8=11...(63) HB2 LYS 61 + HE2 LYS 61 OK 91 96 - 95 - 4.8=38, 1728/1.8=11...(62) HB3 PRO 98 - HE3 LYS 61 OK 22 96 - 23 - 1728=3, 1673/4.8=3...(10) HB3 PRO 98 - HE2 LYS 61 OK 20 90 - 23 - 1673/4.8=3, 1728=3...(10) HB3 MET 11 - HE3 LYS 61 OK 17 94 - 18 - 4.2/9764=6, 1739=3...(9) HB3 MET 11 - HE2 LYS 61 OK 15 87 - 18 - 4.2/9764=6, 1739=2...(9) HB2 LYS 34 - HE3 LYS 61 OK 13 96 - 13 - 1728=2, 1673/4.8=1...(7) HB3 GLU 122 - HE3 LYS 61 OK 12 98 - 12 - 4077/4.8=2, 1695/3.8=1...(6) HB2 LYS 34 - HE2 LYS 61 OK 12 90 - 13 - 1739=2, 1673/4.8=1...(6) HB3 GLU 122 - HE2 LYS 61 OK 11 92 - 12 - 4077/4.8=2, 1695/3.8=1...(6) HG2 PRO 12 - HE3 LYS 61 lone 3 89 - 3 - HG2 PRO 12 - HE2 LYS 61 lone 2 81 - 3 - Peak 1740 from aliabs.peaks (2.08, 2.91, 41.80 ppm; 3.69 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 61 + HE3 LYS 61 OK 97 100 - 97 - 4.8=45, 1.8/1739=12...(59) HB3 LYS 61 + HE2 LYS 61 OK 93 96 - 97 - 4.8=45, 1.8/1739=11...(59) HG3 PRO 33 - HE3 LYS 61 OK 24 99 - 24 - 2.3/9787=5, ~9787=4...(8) HG3 PRO 33 - HE2 LYS 61 OK 22 93 - 24 - ~9787=4, 2.3/9787=4...(8) HB2 GLU 131 - HE3 LYS 61 OK 17 100 - 17 - 1663/4.8=2, 1680=2...(9) HB2 PRO 129 - HE3 LYS 61 OK 16 100 - 16 - 1663/4.8=3, 1696/3.8=2...(9) HB2 GLU 131 - HE2 LYS 61 OK 16 95 - 17 - 1663/4.8=2, 1680=2...(9) HB2 PRO 129 - HE2 LYS 61 OK 15 94 - 16 - 1663/4.8=3, 1696/3.8=2...(9) HG2 PRO 33 - HE3 LYS 61 OK 14 62 - 23 - 2.3/9787=5, ~9787=4...(5) HB2 LEU 26 - HE3 LYS 61 OK 13 100 - 13 - 1663/4.8=1, 1740=1...(7) HG2 PRO 33 - HE2 LYS 61 OK 13 56 - 23 - ~9787=4, 2.3/9787=4...(5) HG2 GLU 122 - HE3 LYS 61 OK 12 89 - 13 - 1663/4.8=2, 1729=1...(9) HB2 LEU 26 - HE2 LYS 61 OK 12 94 - 13 - 1663/4.8=1, 1740=1...(6) HG2 GLU 122 - HE2 LYS 61 OK 11 81 - 13 - 1663/4.8=2, 1740=1...(9) HD2 ARG 49 - HE3 LYS 61 lone 7 100 - 7 - HD2 ARG 49 - HE2 LYS 61 lone 6 95 - 7 - HB3 GLU 142 - HE3 LYS 61 lone 1 77 - 1 - HA ARG 35 - HE3 LYS 61 lone 1 68 - 2 - HB3 GLU 142 - HE2 LYS 61 lone 1 70 - 1 - HA ARG 35 - HE2 LYS 61 lone 1 60 - 1 - Peak 1741 from aliabs.peaks (1.25, 2.91, 41.80 ppm; 2.82 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 61 + HE3 LYS 61 OK 91 100 - 91 - 3.8=40, 1730/1.8=7...(75) HG2 LYS 61 + HE2 LYS 61 OK 87 96 - 91 - 3.8=40, 1741/1.8=7...(75) HG3 LYS 61 + HE3 LYS 61 OK 86 94 - 91 - 3.8=40, 1.8/1730=7...(75) HG3 LYS 61 + HE2 LYS 61 OK 79 87 - 91 - 3.8=40, 1.8/1730=7...(75) HB3 LEU 97 - HE3 LYS 61 OK 19 89 - 22 - 1731=2, 1.8/1743=2...(7) HB3 LEU 97 - HE2 LYS 61 OK 17 81 - 21 - 1731=2, 3204/3.0=2...(7) HB2 LEU 132 - HE3 LYS 61 OK 15 85 - 17 - 3.2/8335=4, ~8335=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 13 78 - 16 - 3.2/8335=3, ~8335=2...(8) HG13 ILE 58 - HE3 LYS 61 OK 12 92 - 13 - 2.1/8287=3, ~8287=2...(5) HG13 ILE 58 - HE2 LYS 61 OK 11 84 - 13 - 2.1/8287=3, ~8287=2...(5) HG12 ILE 58 - HE3 LYS 61 poor 8 68 - 12 - 2.1/8287=3, ~8287=2, ~9824=1 HG12 ILE 58 - HE2 LYS 61 poor 7 60 - 12 - 2.1/8287=3, ~8287=2, ~9824=1 QG2 THR 99 - HE3 LYS 61 lone 3 72 - 4 - 10158/1.8=2 QG2 THR 99 - HE2 LYS 61 lone 2 65 - 4 - 10158/1.8=2 QG2 THR 102 - HE3 LYS 61 lone 1 68 - 1 - QG2 THR 102 - HE2 LYS 61 lone 1 60 - 1 - Peak 1742 from aliabs.peaks (1.26, 2.91, 41.80 ppm; 2.82 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 61 + HE3 LYS 61 OK 91 100 - 91 - 3.8=40, 1.8/1741=7...(75) HG3 LYS 61 + HE2 LYS 61 OK 87 96 - 91 - 3.8=40, 1.8/1741=7...(75) HG2 LYS 61 + HE3 LYS 61 OK 86 94 - 91 - 3.8=40, 1.8/1741=7...(75) HG2 LYS 61 + HE2 LYS 61 OK 79 87 - 91 - 3.8=40, 1730/1.8=7...(75) HB3 LEU 97 - HE3 LYS 61 OK 24 100 - 25 - 1742=2, 11426/5.8=2...(8) HB3 LEU 97 - HE2 LYS 61 OK 23 95 - 24 - 11426/5.8=2, 1742=2...(8) HB2 LEU 132 - HE3 LYS 61 OK 18 100 - 18 - 3.2/8335=4, ~8335=2...(8) HB2 LEU 132 - HE2 LYS 61 OK 16 94 - 17 - 3.2/8335=3, ~8335=2...(8) HG13 ILE 58 - HE3 LYS 61 poor 8 62 - 12 - 2.1/8287=3, ~8287=2...(4) HG13 ILE 58 - HE2 LYS 61 poor 7 56 - 12 - 2.1/8287=3, ~8287=2...(4) QG2 THR 99 - HE3 LYS 61 lone 5 96 - 5 - 10158/1.8=3 QG2 THR 99 - HE2 LYS 61 lone 5 90 - 5 - 10158/1.8=2 QG2 THR 102 - HE3 LYS 61 lone 1 94 - 1 - QG2 THR 102 - HE2 LYS 61 lone 1 87 - 1 - Peak 1743 from aliabs.peaks (1.60, 2.91, 41.80 ppm; 2.50 A): 4 out of 20 assignments used, quality = 1.00: * HD2 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD3 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE2 LYS 61 OK 81 96 - 84 - 3.0=58, 1723/1.8=7...(36) HD3 LYS 61 + HE2 LYS 61 OK 81 95 - 84 - 3.0=58, 1723/1.8=7...(36) HB2 LEU 97 - HE3 LYS 61 OK 20 89 - 22 - 1744=2, 3198/3.8=2...(7) HB2 LEU 97 - HE2 LYS 61 OK 18 81 - 22 - 1744=2, 3198/3.8=2...(7) HB2 LEU 79 - HE3 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE2 LYS 61 lone 7 95 - 7 - HG3 LYS 36 - HE3 LYS 61 lone 2 72 - 2 - HG3 LYS 36 - HE2 LYS 61 lone 2 65 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 81 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 74 - 2 - HG2 ARG 141 - HE3 LYS 61 lone 1 85 - 1 - HB2 LEU 66 - HE3 LYS 61 lone 1 62 - 2 - HG2 ARG 141 - HE2 LYS 61 lone 1 78 - 1 - HB2 LEU 66 - HE2 LYS 61 lone 1 56 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 96 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 90 - 1 - HG3 ARG 124 - HE3 LYS 61 lone 1 72 - 1 - HG3 ARG 124 - HE2 LYS 61 lone 0 65 - 1 - Peak 1744 from aliabs.peaks (1.59, 2.91, 41.80 ppm; 2.50 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1712/1.8=7...(36) HD2 LYS 61 + HE3 LYS 61 OK 85 100 - 85 - 3.0=58, 1723/1.8=7...(36) HD3 LYS 61 + HE2 LYS 61 OK 81 96 - 84 - 3.0=58, 1723/1.8=7...(36) HD2 LYS 61 + HE2 LYS 61 OK 81 95 - 84 - 3.0=58, 1712/1.8=7...(36) HB2 LEU 97 - HE3 LYS 61 OK 19 85 - 22 - 1743=2, 3198/3.8=2...(7) HB2 LEU 97 - HE2 LYS 61 OK 17 78 - 22 - 1733=2, 3198/3.8=2...(7) HB2 LEU 79 - HE3 LYS 61 lone 7 100 - 7 - HB2 LEU 79 - HE2 LYS 61 lone 7 96 - 7 - HG3 LYS 36 - HE3 LYS 61 lone 2 77 - 2 - HG3 LYS 36 - HE2 LYS 61 lone 2 70 - 2 - HG LEU 108 - HE3 LYS 61 lone 1 77 - 2 - HG LEU 108 - HE2 LYS 61 lone 1 70 - 2 - HB2 LEU 66 - HE3 LYS 61 lone 1 68 - 2 - HG2 ARG 141 - HE3 LYS 61 lone 1 81 - 1 - HB2 LEU 66 - HE2 LYS 61 lone 1 60 - 1 - HG2 ARG 141 - HE2 LYS 61 lone 1 74 - 1 - HG2 ARG 144 - HE3 LYS 61 lone 1 94 - 1 - HG3 ARG 124 - HE3 LYS 61 lone 1 77 - 1 - HG2 ARG 144 - HE2 LYS 61 lone 1 87 - 1 - HG3 ARG 124 - HE2 LYS 61 lone 1 70 - 1 - Peak 1745 from aliabs.peaks (2.92, 2.91, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 61 + HE3 LYS 61 OK 99 99 - 100 HE2 LYS 61 + HE2 LYS 61 OK 96 96 - 100 Reference assignment not found: HE2 LYS 61 - HE3 LYS 61 Peak 1746 from aliabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 93 93 - 100 Peak 1749 from aliabs.peaks (4.64, 4.64, 53.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + HA GLN 62 OK 100 100 - 100 Peak 1750 from aliabs.peaks (1.90, 4.64, 53.28 ppm; 5.88 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 + HA GLN 62 OK 58 100 - 58 - ~11350=20, 1.8/11371=12...(14) HB3 ARG 140 - HA GLN 62 OK 24 98 - 24 - 1766/3.0=3, 4.0/7818=3...(11) HB3 ARG 89 - HA GLN 62 OK 24 100 - 23 - 1766/3.0=4, ~1766=2...(14) HB ILE 101 - HA GLN 62 OK 17 94 - 18 - ~8342=4, 1766/3.0=3...(9) HB2 MET 59 - HA GLN 62 poor 10 62 - 16 - 1766/3.0=2, ~1595=2...(9) HB3 GLN 111 - HA GLN 62 lone 9 100 - 9 - 1766/3.0=1 HB3 LYS 93 - HA GLN 62 lone 8 96 - 9 - ~10887=1, 10881/11371=1 HB3 LEU 69 - HA GLN 62 lone 7 92 - 8 - HB3 ARG 141 - HA GLN 62 lone 5 89 - 5 - Peak 1751 from aliabs.peaks (2.06, 4.64, 53.28 ppm; 5.44 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 HB2 PRO 52 + HA GLN 62 OK 57 94 - 60 - 1759/3.0=9, 1751=5...(33) HG3 PRO 98 - HA GLN 62 OK 39 99 - 39 - ~10145=9, ~6577=6...(17) HA ARG 35 - HA GLN 62 lone 6 89 - 7 - Peak 1752 from aliabs.peaks (2.26, 4.64, 53.28 ppm; 5.50 A): 3 out of 9 assignments used, quality = 1.00: * HG2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG3 PRO 129 + HA GLN 62 OK 73 100 - 73 - 1.8/4391=11, 4399=11...(16) HG3 GLU 90 - HA GLN 62 OK 22 99 - 22 - 1769/3.0=2, 1761/3.0=2...(8) HG2 GLU 131 - HA GLN 62 OK 18 72 - 24 - ~4467=4, ~4446=4...(5) HG3 GLU 142 - HA GLN 62 OK 13 72 - 18 - 1.8/10508=4, 4.0/10379=4...(4) HG2 GLU 90 - HA GLN 62 OK 13 77 - 16 - ~1769=2, ~1768=2...(7) HB3 MET 113 - HA GLN 62 OK 12 85 - 14 - 1768/3.0=1, 1760/3.0=1...(4) HG2 MET 113 - HA GLN 62 OK 11 85 - 12 - 1769/3.0=1, 1761/3.0=1 Peak 1753 from aliabs.peaks (2.26, 4.64, 53.28 ppm; 5.50 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.9=100 HG3 PRO 129 + HA GLN 62 OK 72 100 - 73 - 1.8/4391=11, 4399=11...(16) HG3 GLU 90 - HA GLN 62 OK 22 100 - 22 - 1769/3.0=2, 1761/3.0=2...(9) HG2 GLU 131 - HA GLN 62 OK 16 68 - 24 - ~4467=4, ~4446=4...(5) HG3 GLU 142 - HA GLN 62 OK 12 68 - 18 - 1.8/10508=4, 4.0/10379=4...(4) HG2 GLU 90 - HA GLN 62 OK 12 72 - 16 - ~1769=2, ~1768=2...(7) HB3 MET 113 - HA GLN 62 OK 11 81 - 14 - 1768/3.0=1, 1760/3.0=1...(4) HG2 MET 113 - HA GLN 62 OK 11 89 - 12 - 1769/3.0=1, 1761/3.0=1 Peak 1757 from aliabs.peaks (4.64, 1.90, 32.69 ppm; 5.12 A): 4 out of 12 assignments used, quality = 1.00: * HA GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB3 LYS 24 OK 61 99 - 61 - 4.3/11332=10, 2773/3.0=9...(17) HA PRO 129 + HB2 GLN 62 OK 57 94 - 60 - 1765/1.8=12, 2.3/1759=9...(18) HA GLN 62 + HB3 LYS 24 OK 45 99 - 46 - ~11350=16, 1750=7...(13) HA ASN 139 - HB2 GLN 62 OK 31 85 - 36 - ~11643=9, 1765/1.8=4...(15) HA LEU 87 - HB2 GLN 62 OK 30 100 - 30 - 1765/1.8=4, ~8368=3...(13) HA ASP 32 - HB3 LYS 24 OK 21 95 - 22 - 3.8/10876=8, 423/3.0=4...(6) HA ARG 124 - HB3 LYS 24 OK 16 83 - 19 - ~11323=2, 3.0/4215=1...(9) HA ASP 32 - HB2 GLN 62 OK 14 96 - 15 - 1765/1.8=2, ~9785=2...(7) HA ARG 124 - HB2 GLN 62 poor 10 85 - 11 - 1765/1.8=2, ~4214=2...(5) HA ASN 139 - HB3 LYS 24 lone 7 83 - 9 - 9339/10887=1, ~10494=1 HA PRO 129 - HB3 LYS 24 lone 4 93 - 5 - Peak 1758 from aliabs.peaks (1.90, 1.90, 32.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 99 99 - 100 Peak 1759 from aliabs.peaks (2.06, 1.90, 32.69 ppm; 3.51 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 1.8=100 HB2 PRO 52 - HB2 GLN 62 OK 37 94 - 39 - 1759=4, 1751/3.0=4...(20) HB3 GLN 62 - HB3 LYS 24 OK 23 99 - 23 - 1766=6, ~11371=3...(11) HG3 PRO 98 - HB2 GLN 62 OK 19 99 - 19 - 1751/3.0=2, 1759=2...(9) HG3 PRO 98 - HB3 LYS 24 OK 11 98 - 11 - ~9145=2, ~9146=2, ~9146=2 HA ARG 35 - HB3 LYS 24 OK 10 87 - 12 - 2.8/6181=4, ~11318=2...(5) HA ARG 35 - HB2 GLN 62 lone 3 89 - 3 - HB2 PRO 52 - HB3 LYS 24 lone 2 93 - 2 - Peak 1760 from aliabs.peaks (2.26, 1.90, 32.69 ppm; 3.79 A): 3 out of 18 assignments used, quality = 1.00: * HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 PRO 129 + HB2 GLN 62 OK 52 100 - 52 - 2.3/1759=8, 1769/1.8=7...(21) HG2 GLN 62 - HB3 LYS 24 OK 19 99 - 19 - 2.9/1766=4, 3.9/1750=3...(10) HG3 GLN 62 - HB3 LYS 24 OK 19 99 - 19 - 2.9/1766=4, 3.9/1750=3...(10) HG3 GLU 90 - HB2 GLN 62 OK 16 99 - 15 - 1769/1.8=2, 3.8/2916=1...(4) HG2 GLU 90 - HB2 GLN 62 OK 10 77 - 13 - 3.8/2916=1, ~1769=1...(5) HB3 MET 113 - HB2 GLN 62 poor 10 85 - 11 - 1768/1.8=1, 3702/2.9=1 HG2 MET 113 - HB2 GLN 62 poor 9 85 - 11 - 1769/1.8=1 HG3 GLU 90 - HB3 LYS 24 lone 6 98 - 6 - 3.8/2916=1, 11492/3.7=1 HG3 GLU 142 - HB2 GLN 62 lone 6 72 - 8 - ~10508=2 HG2 GLU 131 - HB2 GLN 62 lone 5 72 - 7 - 4460/4.0=1, 8751/8342=1 HB3 MET 113 - HB3 LYS 24 lone 4 83 - 5 - ~10895=2, ~10902=2 HG2 MET 113 - HB3 LYS 24 lone 3 83 - 4 - ~10895=2, ~10902=1 HG2 GLU 131 - HB3 LYS 24 lone 3 70 - 5 - ~10893=2, ~11372=1 HG3 PRO 129 - HB3 LYS 24 lone 2 99 - 2 - HG2 GLU 90 - HB3 LYS 24 lone 2 75 - 3 - 3.8/2916=1 HG3 GLU 142 - HB3 LYS 24 lone 1 70 - 1 - Peak 1761 from aliabs.peaks (2.26, 1.90, 32.69 ppm; 3.79 A): 3 out of 18 assignments used, quality = 1.00: * HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 PRO 129 + HB2 GLN 62 OK 52 100 - 52 - 2.3/1759=8, 1769/1.8=7...(21) HG2 GLN 62 - HB3 LYS 24 OK 19 99 - 19 - 2.9/1766=4, 3.9/1750=3...(10) HG3 GLN 62 - HB3 LYS 24 OK 19 99 - 19 - 2.9/1766=4, 3.9/1750=3...(10) HG3 GLU 90 - HB2 GLN 62 OK 16 100 - 15 - 1769/1.8=2, 3.8/2916=1...(4) HG2 MET 113 - HB2 GLN 62 poor 10 89 - 11 - 1769/1.8=1 HB3 MET 113 - HB2 GLN 62 poor 9 81 - 11 - 1768/1.8=1 HG2 GLU 90 - HB2 GLN 62 poor 9 72 - 13 - 3.8/2916=1, ~1769=1...(5) HG3 GLU 90 - HB3 LYS 24 lone 6 98 - 6 - 3.8/2916=1, 11492/3.7=1 HG3 GLU 142 - HB2 GLN 62 lone 5 68 - 8 - ~10508=2 HG2 GLU 131 - HB2 GLN 62 lone 5 68 - 7 - 4460/4.0=1 HB3 MET 113 - HB3 LYS 24 lone 4 79 - 5 - ~10895=2, ~10902=2 HG2 MET 113 - HB3 LYS 24 lone 4 87 - 4 - ~10895=2, ~10902=1 HG2 GLU 131 - HB3 LYS 24 lone 3 65 - 4 - ~10893=2, ~11372=1 HG3 PRO 129 - HB3 LYS 24 lone 2 98 - 2 - HG2 GLU 90 - HB3 LYS 24 lone 2 70 - 3 - 3.8/2916=1 HG3 GLU 142 - HB3 LYS 24 lone 1 65 - 1 - Peak 1765 from aliabs.peaks (4.64, 2.06, 32.69 ppm; 4.44 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HA PRO 129 + HB3 GLN 62 OK 54 94 - 58 - ~1759=6, 3.8/1769=6...(20) HA ASN 139 - HB3 GLN 62 OK 19 85 - 23 - ~11643=6, ~9725=3...(10) HA LEU 87 - HB3 GLN 62 OK 18 100 - 18 - 3.0/8368=3, 1757/1.8=2...(8) HA ASP 32 - HB3 GLN 62 OK 11 96 - 11 - 9772=2, 3.0/9785=1...(6) HA ARG 124 - HB3 GLN 62 lone 8 85 - 9 - 9954/8759=2, ~4214=1, ~4205=1 Peak 1766 from aliabs.peaks (1.90, 2.06, 32.69 ppm; 3.41 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 1.8=100 HB3 LYS 24 - HB3 GLN 62 OK 21 100 - 21 - 1759=5, ~11371=3...(11) HB3 ARG 89 - HB3 GLN 62 OK 12 100 - 12 - 1.8/1766=2, 2868/1.8=1, ~2861=1 HB3 ARG 140 - HB3 GLN 62 OK 11 98 - 11 - 1.8/1766=2 HB ILE 101 - HB3 GLN 62 lone 9 94 - 9 - ~8342=2, ~10131=1 HB2 MET 59 - HB3 GLN 62 lone 6 62 - 10 - 4.8/8327=1, ~10931=1 HB3 GLN 111 - HB3 GLN 62 lone 4 100 - 4 - HB3 LYS 93 - HB3 GLN 62 lone 3 96 - 3 - HB3 LEU 69 - HB3 GLN 62 lone 3 92 - 3 - HB3 ARG 141 - HB3 GLN 62 lone 1 89 - 2 - Peak 1767 from aliabs.peaks (2.06, 2.06, 32.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 Peak 1768 from aliabs.peaks (2.26, 2.06, 32.69 ppm; 3.66 A): 3 out of 9 assignments used, quality = 1.00: * HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 PRO 129 + HB3 GLN 62 OK 54 100 - 54 - 4400=6, 1.8/4392=5...(22) HG3 GLU 90 - HB3 GLN 62 OK 13 99 - 13 - 1761/1.8=2, 1.8/1768=1 HB3 MET 113 - HB3 GLN 62 poor 9 85 - 11 - 3702/2.9=1 HG2 MET 113 - HB3 GLN 62 lone 8 85 - 9 - HG2 GLU 90 - HB3 GLN 62 poor 8 77 - 10 - ~1761=1, ~1760=1 HG2 GLU 131 - HB3 GLN 62 lone 5 72 - 8 - 4460/4.0=1 HG3 GLU 142 - HB3 GLN 62 lone 5 72 - 7 - ~10508=1 Peak 1769 from aliabs.peaks (2.26, 2.06, 32.69 ppm; 3.66 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 2.9=100 HG3 PRO 129 + HB3 GLN 62 OK 54 100 - 54 - 4400=6, 1.8/4392=5...(22) HG3 GLU 90 - HB3 GLN 62 OK 13 100 - 13 - 1761/1.8=2, 1.8/1768=1 HB3 MET 113 - HB3 GLN 62 poor 9 81 - 10 - HG2 MET 113 - HB3 GLN 62 lone 9 89 - 9 - HG2 GLU 90 - HB3 GLN 62 lone 7 72 - 10 - ~1761=1, ~1760=1 HG2 GLU 131 - HB3 GLN 62 lone 5 68 - 7 - HG3 GLU 142 - HB3 GLN 62 lone 5 68 - 7 - ~10508=1 Peak 1773 from aliabs.peaks (4.64, 2.26, 33.54 ppm; 4.17 A): 4 out of 12 assignments used, quality = 1.00: * HA GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.9=100 HA GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.9=100 HA PRO 129 + HG2 GLN 62 OK 45 94 - 48 - 1765/2.9=7, 4371=5...(17) HA PRO 129 + HG3 GLN 62 OK 45 94 - 48 - 1765/2.9=7, 4371=5...(17) HA ASN 139 - HG2 GLN 62 OK 20 85 - 23 - 3.0/11643=8, ~11643=6...(8) HA ASN 139 - HG3 GLN 62 OK 19 85 - 23 - 3.0/11643=7, ~11643=7...(8) HA LEU 87 - HG2 GLN 62 OK 17 100 - 17 - 1765/2.9=3, 4.0/8893=2...(6) HA LEU 87 - HG3 GLN 62 OK 17 100 - 17 - 1765/2.9=3, 4.0/8893=2...(6) HA ASP 32 - HG2 GLN 62 lone 6 96 - 6 - 1765/2.9=1 HA ASP 32 - HG3 GLN 62 lone 6 96 - 6 - 1765/2.9=1 HA ARG 124 - HG3 GLN 62 lone 5 85 - 6 - 1765/2.9=1 HA ARG 124 - HG2 GLN 62 lone 5 85 - 6 - 1765/2.9=1 Peak 1774 from aliabs.peaks (1.90, 2.26, 33.54 ppm; 3.41 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 2.9=100 HB2 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 24 - HG2 GLN 62 OK 15 100 - 15 - 1766/2.9=3, 1750/3.9=2...(6) HB3 LYS 24 - HG3 GLN 62 OK 15 100 - 15 - 1766/2.9=3, 1750/3.9=2...(6) HB ILE 101 - HG2 GLN 62 OK 11 94 - 11 - 3.2/8344=2, 2.1/8344=2...(6) HB ILE 101 - HG3 GLN 62 OK 10 94 - 11 - 3.2/8344=2, 2.1/8344=2...(6) HB3 ARG 89 - HG2 GLN 62 lone 10 100 - 10 - 1766/2.9=2, 2868/2.9=1 HB3 ARG 89 - HG3 GLN 62 lone 9 99 - 9 - 1766/2.9=2, 2868/2.9=1 HB3 ARG 140 - HG2 GLN 62 lone 9 98 - 9 - 1766/2.9=2 HB3 ARG 140 - HG3 GLN 62 lone 9 98 - 9 - 1766/2.9=2 HB2 MET 59 - HG2 GLN 62 poor 8 62 - 13 - 4.8/9852=4, 3.0/10931=2 HB2 MET 59 - HG3 GLN 62 poor 8 62 - 13 - 4.8/9852=4, 3.0/10931=2 HB3 GLN 111 - HG3 GLN 62 lone 3 100 - 3 - HB3 GLN 111 - HG2 GLN 62 lone 3 100 - 3 - HB3 LEU 69 - HG3 GLN 62 lone 3 91 - 3 - HB3 LEU 69 - HG2 GLN 62 lone 3 92 - 3 - HB3 LYS 93 - HG2 GLN 62 lone 3 96 - 3 - HB3 LYS 93 - HG3 GLN 62 lone 3 96 - 3 - HB3 ARG 141 - HG2 GLN 62 lone 1 89 - 1 - HB3 ARG 141 - HG3 GLN 62 lone 1 88 - 1 - Peak 1775 from aliabs.peaks (2.06, 2.26, 33.54 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 2.9=100 HB3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 2.9=100 HB2 PRO 52 - HG2 GLN 62 OK 28 94 - 30 - 1759/2.9=4, 1751/3.9=3...(13) HB2 PRO 52 - HG3 GLN 62 OK 28 94 - 30 - 1759/2.9=4, 1751/3.9=3...(13) HG3 PRO 98 - HG2 GLN 62 OK 14 99 - 14 - 1759/2.9=2, 1751/3.9=2...(5) HG3 PRO 98 - HG3 GLN 62 OK 14 99 - 14 - 1759/2.9=2, 1751/3.9=2...(5) HA ARG 35 - HG3 GLN 62 lone 2 88 - 2 - HA ARG 35 - HG2 GLN 62 lone 2 89 - 2 - Peak 1776 from aliabs.peaks (2.26, 2.26, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 Peak 1777 from aliabs.peaks (2.26, 2.26, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 Reference assignment not found: HG3 GLN 62 - HG2 GLN 62 Peak 1781 from aliabs.peaks (4.64, 2.26, 33.54 ppm; 4.17 A): 4 out of 12 assignments used, quality = 1.00: * HA GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.9=100 HA GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.9=100 HA PRO 129 + HG3 GLN 62 OK 45 94 - 48 - 1765/2.9=7, 4371=5...(17) HA PRO 129 + HG2 GLN 62 OK 45 94 - 48 - 1765/2.9=7, 4371=5...(17) HA ASN 139 - HG2 GLN 62 OK 20 85 - 23 - 3.0/11643=8, ~11643=6...(8) HA ASN 139 - HG3 GLN 62 OK 20 85 - 23 - 3.0/11643=8, ~11643=7...(8) HA LEU 87 - HG2 GLN 62 OK 17 100 - 17 - 1765/2.9=3, 4.0/8893=2...(7) HA LEU 87 - HG3 GLN 62 OK 17 100 - 17 - 1765/2.9=3, 4.0/8893=2...(6) HA ASP 32 - HG2 GLN 62 lone 6 96 - 6 - 1765/2.9=1 HA ASP 32 - HG3 GLN 62 lone 6 96 - 6 - 1765/2.9=1 HA ARG 124 - HG3 GLN 62 lone 5 85 - 6 - 1765/2.9=1 HA ARG 124 - HG2 GLN 62 lone 5 85 - 6 - 1765/2.9=1 Peak 1782 from aliabs.peaks (1.90, 2.26, 33.54 ppm; 3.41 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 2.9=100 HB2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 24 - HG2 GLN 62 OK 15 100 - 15 - 1766/2.9=3, 1750/3.9=2...(6) HB3 LYS 24 - HG3 GLN 62 OK 15 100 - 15 - 1766/2.9=3, 1750/3.9=2...(6) HB ILE 101 - HG3 GLN 62 OK 11 94 - 11 - 3.2/8344=2, 2.1/8344=2...(6) HB ILE 101 - HG2 GLN 62 OK 10 94 - 11 - 3.2/8344=2, 2.1/8344=2...(6) HB3 ARG 89 - HG2 GLN 62 lone 10 99 - 10 - 1766/2.9=2, 2868/2.9=1 HB3 ARG 89 - HG3 GLN 62 lone 10 100 - 9 - 1766/2.9=2, 2868/2.9=1 HB3 ARG 140 - HG2 GLN 62 lone 9 98 - 9 - 1766/2.9=2 HB3 ARG 140 - HG3 GLN 62 lone 9 98 - 9 - 1766/2.9=2 HB2 MET 59 - HG3 GLN 62 poor 8 62 - 13 - 4.8/9852=4, 3.0/10931=2 HB2 MET 59 - HG2 GLN 62 poor 8 62 - 13 - 4.8/9852=4, 3.0/10931=2 HB3 GLN 111 - HG3 GLN 62 lone 3 100 - 3 - HB3 GLN 111 - HG2 GLN 62 lone 3 100 - 3 - HB3 LEU 69 - HG3 GLN 62 lone 3 92 - 3 - HB3 LEU 69 - HG2 GLN 62 lone 3 91 - 3 - HB3 LYS 93 - HG2 GLN 62 lone 3 96 - 3 - HB3 LYS 93 - HG3 GLN 62 lone 3 96 - 3 - HB3 ARG 141 - HG2 GLN 62 lone 1 88 - 1 - HB3 ARG 141 - HG3 GLN 62 lone 1 89 - 1 - Peak 1783 from aliabs.peaks (2.06, 2.26, 33.54 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 2.9=100 HB3 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 2.9=100 HB2 PRO 52 - HG3 GLN 62 OK 28 94 - 30 - 1759/2.9=4, 1751/3.9=3...(13) HB2 PRO 52 - HG2 GLN 62 OK 28 94 - 30 - 1759/2.9=4, 1751/3.9=3...(13) HG3 PRO 98 - HG3 GLN 62 OK 14 99 - 14 - 1759/2.9=2, 1751/3.9=2...(5) HG3 PRO 98 - HG2 GLN 62 OK 14 99 - 14 - 1759/2.9=2, 1751/3.9=2...(5) HA ARG 35 - HG3 GLN 62 lone 2 89 - 2 - HA ARG 35 - HG2 GLN 62 lone 2 88 - 2 - Peak 1784 from aliabs.peaks (2.26, 2.26, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 Reference assignment not found: HG2 GLN 62 - HG3 GLN 62 Peak 1785 from aliabs.peaks (2.26, 2.26, 33.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 Peak 1788 from aliabs.peaks (4.02, 4.02, 62.82 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 HB3 SER 100 - HB3 SER 100 OK 43 43 - 100 Peak 1789 from aliabs.peaks (2.00, 4.02, 62.82 ppm; 3.61 A): 1 out of 20 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 - 100 - 3.0=100 QE MET 59 - HA VAL 63 OK 38 99 - 38 - 10401=12, 6.2/11450=6...(8) HG3 PRO 52 - HA VAL 63 OK 20 99 - 20 - 1804/3.2=3, 1799/3.2=3...(8) QE MET 113 - HA VAL 63 OK 17 100 - 17 - 1799/3.2=3, 1804/3.2=3...(4) HB2 GLN 111 - HA VAL 63 OK 14 85 - 16 - 1804/3.2=2, 1799/3.2=2...(6) HB VAL 63 - HB3 SER 100 OK 12 57 - 20 - ~9165=4, 1793=4...(5) HG3 GLU 122 - HA VAL 63 OK 11 89 - 13 - 4088=2, 1.8/4081=2...(6) QE MET 11 - HA VAL 63 lone 7 89 - 8 - 1804/3.2=2, 1799/3.2=1, ~8361=1 QE MET 59 - HB3 SER 100 poor 6 55 - 12 - 10401=4, 10564/1.8=3 HB3 GLU 90 - HA VAL 63 lone 5 100 - 5 - 1804/3.2=1 HB3 ARG 124 - HA VAL 63 lone 5 81 - 7 - QE MET 113 - HB3 SER 100 lone 5 57 - 8 - 9337/1.8=3, ~10196=1 HB2 GLU 90 - HA VAL 63 lone 4 72 - 5 - HG3 GLU 122 - HB3 SER 100 lone 2 45 - 5 - HG3 PRO 52 - HB3 SER 100 lone 2 55 - 3 - HB2 GLN 111 - HB3 SER 100 lone 1 43 - 2 - HB3 ARG 124 - HB3 SER 100 lone 1 40 - 2 - QE MET 11 - HB3 SER 100 lone 1 45 - 1 - HB3 GLU 90 - HB3 SER 100 lone 0 57 - 1 - HB2 GLU 90 - HB3 SER 100 lone 0 34 - 1 - Peak 1790 from aliabs.peaks (0.93, 4.02, 62.82 ppm; 3.15 A): 1 out of 12 assignments used, quality = 0.98: * QG1 VAL 63 + HA VAL 63 OK 98 100 - 98 - 3.2=96, 2.1/1803=18...(11) HB2 LEU 64 - HA VAL 63 OK 32 72 - 45 - 1796/3.0=5, 6612/3.6=5...(21) QG1 VAL 53 - HA VAL 63 OK 29 98 - 29 - 1795/3.0=5, 1805/3.2=4...(13) HB2 LEU 108 - HA VAL 63 OK 28 100 - 28 - 1796/3.0=4, 1805/3.2=3...(13) QG2 ILE 91 - HA VAL 63 OK 20 68 - 29 - 1801/3.2=3, 2.1/781=3...(18) QD2 LEU 29 - HA VAL 63 OK 18 92 - 19 - 1805/3.2=3, 1801/3.2=2...(8) QG1 VAL 63 - HB3 SER 100 poor 10 57 - 17 - 9165/1.8=4, 1798=3...(4) QG1 VAL 53 - HB3 SER 100 lone 4 53 - 8 - 11305/3.0=4, 9165/1.8=2 HB2 LEU 108 - HB3 SER 100 lone 2 56 - 4 - 3.6/7269=2 QG2 ILE 91 - HB3 SER 100 lone 1 32 - 3 - 3.2/10473=2 QD2 LEU 29 - HB3 SER 100 lone 1 47 - 2 - HB2 LEU 64 - HB3 SER 100 lone 1 34 - 2 - Peak 1791 from aliabs.peaks (0.95, 4.02, 62.82 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 - 100 - 3.2=100 QG2 ILE 91 - HA VAL 63 OK 37 89 - 41 - 1791=8, 1801/3.2=7...(19) QG2 VAL 63 - HB3 SER 100 poor 10 57 - 17 - ~9165=4, 1803=3...(5) QG2 THR 51 - HA VAL 63 poor 6 62 - 10 - ~10867=2, ~11306=2...(5) HG3 ARG 35 - HA VAL 63 lone 5 89 - 6 - 1801/3.2=1, 1796/3.0=1, ~616=1 QG2 ILE 91 - HB3 SER 100 lone 2 45 - 5 - 3.2/10473=2 HG3 ARG 35 - HB3 SER 100 lone 0 45 - 1 - QG2 THR 51 - HB3 SER 100 lone 0 29 - 1 - Peak 1793 from aliabs.peaks (4.02, 2.00, 31.91 ppm; 3.47 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 - 100 - 3.0=100 HB THR 107 - HB VAL 63 OK 31 96 - 32 - 9249=7, 2.1/9251=5...(11) HA LYS 123 - HB VAL 63 OK 18 92 - 19 - 1793=3, 1798/2.1=2...(7) HB3 SER 100 - HB VAL 63 OK 16 85 - 19 - ~9165=4, 1793=3...(5) HA GLU 81 - HB VAL 63 OK 13 94 - 14 - 1793=3, 1798/2.1=2...(4) HA GLU 37 - HB VAL 63 OK 12 99 - 12 - 1798/2.1=3, 1793=3, 1803/2.1=3 HB2 SER 103 - HB VAL 63 OK 12 85 - 15 - ~8364=4, 1793=2...(6) HA GLU 122 - HB VAL 63 OK 11 85 - 12 - 11533/2.1=2, 1798/2.1=2...(5) HA LEU 69 - HB VAL 63 poor 8 68 - 11 - 4.1/8356=4, 11533/2.1=2...(4) Peak 1794 from aliabs.peaks (2.00, 2.00, 31.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 63 + HB VAL 63 OK 100 100 - 100 Peak 1795 from aliabs.peaks (0.93, 2.00, 31.91 ppm; 2.80 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 63 + HB VAL 63 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - HB VAL 63 OK 38 72 - 53 - 1796=9, 3.8/1797=7...(24) QG1 VAL 53 - HB VAL 63 OK 35 98 - 36 - 1795=8, 1805/2.1=5...(13) HB2 LEU 108 - HB VAL 63 OK 32 100 - 32 - 1796=6, 1805/2.1=4...(16) QG2 ILE 91 - HB VAL 63 OK 23 68 - 34 - 1796=5, 1801/2.1=4...(17) QD2 LEU 29 - HB VAL 63 OK 22 92 - 24 - 1805/2.1=4, 1796=3...(10) Peak 1796 from aliabs.peaks (0.95, 2.00, 31.91 ppm; 2.85 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 - 100 - 2.1=100 QG2 ILE 91 - HB VAL 63 OK 35 89 - 39 - 1801/2.1=8, 1796=7...(17) QG2 THR 51 - HB VAL 63 poor 7 62 - 12 - ~10867=2, ~11306=2...(4) HG3 ARG 35 - HB VAL 63 lone 6 89 - 6 - 1801/2.1=1, ~616=1 Peak 1798 from aliabs.peaks (4.02, 0.93, 21.61 ppm; 3.04 A): 2 out of 9 assignments used, quality = 0.94: * HA VAL 63 + QG1 VAL 63 OK 92 100 - 92 - 3.2=85, 1803/2.1=17...(12) HB THR 107 + QG1 VAL 63 OK 25 96 - 27 - 1798=4, 1803/2.1=4...(8) HA GLU 37 - QG1 VAL 63 OK 14 99 - 14 - 1798=4, 1803/2.1=2...(5) HB3 SER 100 - QG1 VAL 63 OK 13 85 - 15 - 1.8/9165=3, 1798=3...(4) HA GLU 81 - QG1 VAL 63 OK 12 94 - 13 - 1798=3, 1803/2.1=2...(4) HA LYS 123 - QG1 VAL 63 OK 11 92 - 12 - 1798=2, 1793/2.1=2, 1803/2.1=2 HB2 SER 103 - QG1 VAL 63 OK 11 85 - 13 - 1798=3, ~8364=2...(5) HA GLU 122 - QG1 VAL 63 lone 8 85 - 9 - 11533/2.1=2, 1793/2.1=1 HA LEU 69 - QG1 VAL 63 poor 7 68 - 11 - 4.1/9871=4, 11533/2.1=1 Peak 1799 from aliabs.peaks (2.00, 0.93, 21.61 ppm; 2.85 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 2.1=100 QE MET 59 - QG1 VAL 63 OK 30 99 - 31 - 1799=7, 10401/3.2=4...(8) QE MET 113 - QG1 VAL 63 OK 23 100 - 23 - 1799=5, 10662/9869=3...(8) HG3 PRO 52 - QG1 VAL 63 OK 17 99 - 17 - 1804/2.1=3, ~8232=2...(7) HB2 GLN 111 - QG1 VAL 63 OK 15 85 - 17 - 3.0/9872=2, 1804/2.1=2...(5) QE MET 11 - QG1 VAL 63 lone 9 89 - 10 - 3.3/8361=2, 1804/2.1=1 HG3 GLU 122 - QG1 VAL 63 lone 8 89 - 8 - 1799=1, 1804/2.1=1 HB3 GLU 90 - QG1 VAL 63 lone 6 100 - 6 - 1804/2.1=1 HB3 ARG 124 - QG1 VAL 63 lone 4 81 - 5 - HB2 GLU 90 - QG1 VAL 63 lone 4 72 - 5 - Peak 1800 from aliabs.peaks (0.93, 0.93, 21.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 63 + QG1 VAL 63 OK 100 100 - 100 Peak 1801 from aliabs.peaks (0.95, 0.93, 21.61 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 2.1=100 QG2 ILE 91 - QG1 VAL 63 OK 33 89 - 37 - 1801=8, 1796/2.1=5...(16) HG3 ARG 35 - QG1 VAL 63 lone 6 89 - 7 - QG2 THR 51 - QG1 VAL 63 lone 6 62 - 9 - 2.1/9876=2, ~10867=2...(4) Peak 1803 from aliabs.peaks (4.02, 0.95, 20.53 ppm; 3.15 A): 1 out of 9 assignments used, quality = 0.98: * HA VAL 63 + QG2 VAL 63 OK 98 100 - 98 - 3.2=96, 1798/2.1=18...(12) HB THR 107 - QG2 VAL 63 OK 28 96 - 29 - 9249/2.1=4, 1798/2.1=4...(11) HA GLU 37 - QG2 VAL 63 OK 14 99 - 14 - 1803=4, 1798/2.1=2...(4) HB3 SER 100 - QG2 VAL 63 OK 13 85 - 15 - ~9165=3, 1803=3...(4) HA GLU 81 - QG2 VAL 63 OK 12 94 - 13 - 1803=3, 1798/2.1=2...(4) HA LYS 123 - QG2 VAL 63 OK 11 92 - 12 - 1793/2.1=2, 1803=2, 1798/2.1=2 HB2 SER 103 - QG2 VAL 63 poor 10 85 - 11 - ~8364=3, 1803=2...(4) HA GLU 122 - QG2 VAL 63 poor 9 85 - 11 - 11533=2, 1798/2.1=1, 1793/2.1=1 HA LEU 69 - QG2 VAL 63 lone 7 68 - 10 - 4.1/9894=3, 11533=2, 1798/2.1=1 Peak 1804 from aliabs.peaks (2.00, 0.95, 20.53 ppm; 2.89 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 2.1=100 QE MET 59 - QG2 VAL 63 OK 30 99 - 31 - 1804=6, 10401/3.2=4...(7) HG3 PRO 52 - QG2 VAL 63 OK 19 99 - 19 - 2.3/8232=3, 1799/2.1=2...(8) QE MET 113 - QG2 VAL 63 OK 18 100 - 18 - 1804=4, 1799/2.1=3...(4) HB2 GLN 111 - QG2 VAL 63 OK 17 85 - 20 - 3.0/9867=4, 1804=2...(7) QE MET 11 - QG2 VAL 63 OK 11 89 - 13 - 5.1/8366=2, 1799/2.1=1, ~8361=1 HG3 GLU 122 - QG2 VAL 63 lone 8 89 - 9 - 1804=1, 3.9/11533=1, 1799/2.1=1 HB3 GLU 90 - QG2 VAL 63 lone 8 100 - 8 - 4.7/7056=2, 3.9/10074=1 HB2 GLU 90 - QG2 VAL 63 lone 6 72 - 8 - 4.7/7056=2, 3.9/10074=1 HB3 ARG 124 - QG2 VAL 63 lone 5 81 - 7 - 3.0/8352=1 Peak 1805 from aliabs.peaks (0.93, 0.95, 20.53 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - QG2 VAL 63 OK 34 72 - 47 - 3.0/8353=8, 3.8/1807=6...(16) QG1 VAL 53 - QG2 VAL 63 OK 33 98 - 33 - 1805=8, 2.1/9867=7...(12) HB2 LEU 108 - QG2 VAL 63 OK 30 100 - 30 - 1801/2.1=3, 1796/2.1=3...(14) QD2 LEU 29 - QG2 VAL 63 OK 28 92 - 31 - 1805=4, 1801/2.1=2...(12) QG2 ILE 91 - QG2 VAL 63 OK 21 68 - 31 - 2.1/8360=3, 1801/2.1=3...(12) Peak 1806 from aliabs.peaks (0.95, 0.95, 20.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 63 + QG2 VAL 63 OK 100 100 - 100 Peak 1809 from aliabs.peaks (4.18, 4.18, 53.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 Peak 1810 from aliabs.peaks (0.92, 4.18, 53.78 ppm; 3.60 A): 4 out of 5 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 108 + HA LEU 64 OK 47 85 - 56 - 3.2/9266=11, 3.2/9878=7...(25) QD2 LEU 29 + HA LEU 64 OK 47 98 - 48 - 8074/3.7=11, 1850/3.9=6...(14) QG1 VAL 63 + HA LEU 64 OK 47 72 - 64 - 1802/3.0=10, ~1807=10...(23) QG2 VAL 80 - HA LEU 64 lone 5 72 - 7 - 9948/3.0=1 Peak 1811 from aliabs.peaks (1.63, 4.18, 53.78 ppm; 4.44 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 87 + HA LEU 64 OK 63 92 - 69 - 1828/3.7=8, 1851/3.9=7...(31) HG3 LYS 34 - HA LEU 64 OK 38 100 - 38 - 1843/4.0=7, 1851/3.9=6...(13) HD2 LYS 24 - HA LEU 64 OK 23 100 - 23 - 11360/3.0=10, 1843/4.0=2...(5) HG3 ARG 49 - HA LEU 64 OK 13 68 - 20 - 1819/3.0=2, 1835/3.7=2...(11) HG3 ARG 144 - HA LEU 64 poor 10 77 - 13 - 6624/3.6=3, 1843/4.0=1...(5) HG3 LYS 48 - HA LEU 64 lone 4 68 - 6 - Peak 1812 from aliabs.peaks (1.15, 4.18, 53.78 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.7=100 QG2 THR 92 + HA LEU 64 OK 59 92 - 65 - 9026/3.0=16, 9027/3.9=16...(11) Peak 1813 from aliabs.peaks (0.65, 4.18, 53.78 ppm; 4.04 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 4.0=100 QD1 ILE 56 + HA LEU 64 OK 52 98 - 53 - 1821/3.0=9, 1481/3.9=9...(15) QD1 LEU 126 + HA LEU 64 OK 46 96 - 47 - 1813=9, 1821/3.0=8...(15) Peak 1814 from aliabs.peaks (0.87, 4.18, 53.78 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.92: * QD1 LEU 64 + HA LEU 64 OK 85 100 - 85 - 3.9=50, 1855/3.6=16...(17) QG2 ILE 83 + HA LEU 64 OK 36 100 - 36 - 1822/3.0=8, 1838/3.7=6...(10) HB3 LEU 42 + HA LEU 64 OK 21 100 - 21 - 1822/3.0=4, 1838/3.7=4...(8) Peak 1817 from aliabs.peaks (4.18, 0.92, 42.22 ppm; 4.34 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 HA TRP 88 + HB2 LEU 64 OK 64 92 - 69 - 10239=13, 10068/3.0=13...(24) HA PHE 38 - HB2 LEU 64 OK 27 85 - 31 - ~4739=4, 1841/3.1=3...(16) HA CYS 121 - HB2 LEU 64 OK 14 99 - 14 - 1841/3.1=3, 1849/3.2=2...(5) HA GLU 120 - HB2 LEU 64 lone 6 62 - 9 - 1841/3.1=1 Peak 1818 from aliabs.peaks (0.92, 0.92, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 Peak 1819 from aliabs.peaks (1.63, 0.92, 42.22 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 1.8=100 HB2 LEU 87 + HB2 LEU 64 OK 85 92 - 92 - 1828/3.0=13, 1811/3.0=12...(32) HG3 LYS 34 + HB2 LEU 64 OK 77 100 - 77 - ~10626=13, 1835/3.0=10...(22) HD2 LYS 24 - HB2 LEU 64 OK 43 100 - 43 - 11360/3.8=19, 1811/3.0=5...(13) HG3 ARG 49 - HB2 LEU 64 OK 30 68 - 44 - ~9881=6, ~8368=4...(19) HG3 ARG 144 - HB2 LEU 64 OK 20 77 - 26 - 6624/4.4=4, ~11014=3...(10) HG3 LYS 48 - HB2 LEU 64 poor 10 68 - 14 - ~11014=2, 1835/3.0=1, 1843/3.1=1 Peak 1820 from aliabs.peaks (1.15, 0.92, 42.22 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 QG2 THR 92 + HB2 LEU 64 OK 62 92 - 68 - 9026/1.8=18, 9027/3.2=16...(15) Peak 1821 from aliabs.peaks (0.65, 0.92, 42.22 ppm; 4.14 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 ILE 56 + HB2 LEU 64 OK 77 98 - 79 - 1481/3.2=11, 1837/3.0=11...(27) QD1 LEU 126 + HB2 LEU 64 OK 62 96 - 65 - 1821=12, 1837/3.0=8...(20) Peak 1822 from aliabs.peaks (0.87, 0.92, 42.22 ppm; 2.86 A): 2 out of 3 assignments used, quality = 0.95: * QD1 LEU 64 + HB2 LEU 64 OK 90 100 - 90 - 3.2=72, 1851/1.8=16...(17) QG2 ILE 83 + HB2 LEU 64 OK 49 100 - 49 - 1846/3.1=6, 1838/3.0=6...(23) HB3 LEU 42 - HB2 LEU 64 OK 28 100 - 28 - 1846/3.1=4, 1838/3.0=4...(11) Peak 1825 from aliabs.peaks (4.18, 1.63, 42.22 ppm; 4.94 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 HA TRP 88 + HB3 LEU 64 OK 65 92 - 71 - 10068/3.0=15...(15) HA LEU 64 + HB2 LEU 87 OK 54 70 - 77 - 1811=12, 3.7/1835=8...(31) HA TRP 88 - HB2 LEU 87 OK 44 59 - 74 - ~7009=18, ~7011=18...(15) HA PHE 38 - HB3 LEU 64 OK 30 85 - 35 - 1817/1.8=6, ~4739=5...(14) HA CYS 121 - HB3 LEU 64 OK 17 99 - 17 - 1817/1.8=3, 1841/3.1=3...(6) HA CYS 121 - HB2 LEU 87 poor 9 67 - 13 - ~8907=9, 8903/3.2=1 HA GLU 120 - HB3 LEU 64 poor 7 62 - 11 - 1817/1.8=1, 1841/3.1=1...(4) HA PHE 38 - HB2 LEU 87 lone 5 53 - 9 - 7015/4.6=3 HA GLU 120 - HB2 LEU 87 lone 3 36 - 9 - 8903/3.2=2, 7015/4.6=2 Peak 1826 from aliabs.peaks (0.92, 1.63, 42.22 ppm; 3.63 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 1.8=100 QD2 LEU 29 + HB3 LEU 64 OK 67 98 - 69 - 8074/3.0=14, 1850/3.2=8...(20) HB2 LEU 108 + HB3 LEU 64 OK 59 85 - 69 - 1810/3.0=5, ~3487=5...(36) QG1 VAL 63 + HB3 LEU 64 OK 53 72 - 73 - 9869/3.1=12, ~8353=10...(28) HB2 LEU 64 - HB2 LEU 87 OK 44 70 - 62 - 3.2/1851=6, 3.1/1843=6...(29) HB2 LEU 108 - HB2 LEU 87 poor 7 53 - 13 - 10010/8880=1, ~10231=1 QG2 VAL 80 - HB3 LEU 64 lone 7 72 - 9 - 9948=1 QD2 LEU 29 - HB2 LEU 87 lone 6 66 - 9 - 10841/3.0=2, 8074/1835=1 QG2 VAL 80 - HB2 LEU 87 poor 5 43 - 12 - 9948=2, ~8744=1, ~8744=1 QG1 VAL 63 - HB2 LEU 87 lone 3 43 - 7 - 4.4/6615=2 Peak 1827 from aliabs.peaks (1.63, 1.63, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 HB2 LEU 87 + HB2 LEU 87 OK 59 59 - 100 Peak 1828 from aliabs.peaks (1.15, 1.63, 42.22 ppm; 4.08 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 QG2 THR 92 + HB3 LEU 64 OK 72 92 - 78 - 9026=20, 9027/3.2=19...(15) HG LEU 64 + HB2 LEU 87 OK 47 70 - 67 - 1835=11, 2.1/1843=8...(29) QG2 THR 92 - HB2 LEU 87 OK 13 59 - 23 - 9026=5, 9005/4.6=3...(6) Peak 1829 from aliabs.peaks (0.65, 1.63, 42.22 ppm; 4.07 A): 4 out of 6 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 ILE 56 + HB3 LEU 64 OK 74 98 - 75 - 3.1/11010=12...(23) QD1 LEU 126 + HB3 LEU 64 OK 59 96 - 61 - 1821/1.8=10, 1837/3.0=8...(19) QD2 LEU 64 + HB2 LEU 87 OK 45 70 - 65 - 1843=9, 2.1/1851=9...(28) QD1 LEU 126 - HB2 LEU 87 OK 17 64 - 27 - ~11144=4, 10339/8880=4...(12) QD1 ILE 56 - HB2 LEU 87 lone 6 66 - 9 - 3.1/11010=1, 1853/1851=1 Peak 1830 from aliabs.peaks (0.87, 1.63, 42.22 ppm; 3.66 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.2=100 QG2 ILE 83 + HB3 LEU 64 OK 73 100 - 74 - 1822/1.8=13, 1846/3.1=10...(26) HB3 LEU 42 + HB3 LEU 64 OK 47 100 - 47 - 1822/1.8=8, 1838/3.0=6...(20) QD1 LEU 64 - HB2 LEU 87 OK 39 70 - 56 - 1851=9, 2.1/1843=8...(29) QG2 ILE 83 - HB2 LEU 87 OK 29 68 - 43 - 3.1/10003=5, 2518/3.0=5...(21) HB3 LEU 42 - HB2 LEU 87 poor 10 70 - 14 - ~10062=3, ~10950=2...(6) Peak 1833 from aliabs.peaks (4.18, 1.15, 27.00 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.7=100 HA TRP 88 + HG LEU 64 OK 60 92 - 65 - 10068=18, 1849/2.1=11...(15) HA PHE 38 - HG LEU 64 OK 19 85 - 22 - ~4739=5, 1841/2.1=4...(7) HA CYS 121 - HG LEU 64 lone 10 99 - 10 - 1841/2.1=3, 1817/3.0=2...(4) HA GLU 120 - HG LEU 64 lone 4 62 - 7 - 1841/2.1=1 Peak 1834 from aliabs.peaks (0.92, 1.15, 27.00 ppm; 3.81 A): 4 out of 5 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 QD2 LEU 29 + HG LEU 64 OK 76 98 - 78 - 8074=24, 1850/2.1=11...(23) QG1 VAL 63 + HG LEU 64 OK 55 72 - 76 - 2.1/8353=25, 9869/2.1=16...(25) HB2 LEU 108 + HG LEU 64 OK 53 85 - 62 - ~11018=7, 1842/2.1=7...(29) QG2 VAL 80 - HG LEU 64 poor 8 72 - 12 - 1842/2.1=1, 9948/3.0=1 Peak 1835 from aliabs.peaks (1.63, 1.15, 27.00 ppm; 4.16 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 87 + HG LEU 64 OK 63 92 - 69 - 1828=13, 1843/2.1=9...(29) HG3 LYS 34 + HG LEU 64 OK 52 100 - 53 - 1843/2.1=9, 1851/2.1=8...(19) HD2 LYS 24 - HG LEU 64 OK 20 100 - 20 - 11360/5.2=6, 1843/2.1=3...(5) HG3 ARG 49 - HG LEU 64 OK 15 68 - 23 - ~9881=3, ~10625=2...(10) HG3 ARG 144 - HG LEU 64 OK 11 77 - 14 - 1843/2.1=2, 1851/2.1=1, ~11014=1 HG3 LYS 48 - HG LEU 64 lone 6 68 - 9 - ~11014=1 Peak 1836 from aliabs.peaks (1.15, 1.15, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 Peak 1837 from aliabs.peaks (0.65, 1.15, 27.00 ppm; 3.63 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QD1 ILE 56 + HG LEU 64 OK 68 98 - 70 - 1481/2.1=12, ~10916=10...(25) QD1 LEU 126 + HG LEU 64 OK 53 96 - 55 - 1837=11, 1853/2.1=8...(16) Peak 1838 from aliabs.peaks (0.87, 1.15, 27.00 ppm; 3.44 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 + HG LEU 64 OK 70 100 - 71 - 1846/2.1=12, ~8376=11...(24) HB3 LEU 42 + HG LEU 64 OK 46 100 - 46 - 1846/2.1=7, ~8156=6...(18) Peak 1841 from aliabs.peaks (4.18, 0.65, 25.42 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.97: * HA LEU 64 + QD2 LEU 64 OK 94 100 - 94 - 4.0=71, 1849/2.1=27...(19) HA TRP 88 + QD2 LEU 64 OK 43 92 - 47 - 10068/2.1=11, 1849/2.1=9...(11) HA PHE 38 - QD2 LEU 64 OK 16 85 - 18 - 1841=3, 1849/2.1=3...(7) HA CYS 121 - QD2 LEU 64 OK 11 99 - 11 - 10313/7578=2, 1849/2.1=2...(5) HA GLU 120 - QD2 LEU 64 lone 4 62 - 6 - 1841=1 Peak 1842 from aliabs.peaks (0.92, 0.65, 25.42 ppm; 2.97 A): 2 out of 5 assignments used, quality = 0.98: * HB2 LEU 64 + QD2 LEU 64 OK 95 100 - 95 - 3.1=84, 1822/2.1=17...(21) QD2 LEU 29 + QD2 LEU 64 OK 59 98 - 60 - 8074/2.1=12...(21) QG1 VAL 63 - QD2 LEU 64 OK 43 72 - 59 - 9869=9, ~8353=8...(21) HB2 LEU 108 - QD2 LEU 64 OK 38 85 - 44 - 1842=5, 1850/2.1=5...(19) QG2 VAL 80 - QD2 LEU 64 poor 7 72 - 10 - 4.0/6860=2 Peak 1843 from aliabs.peaks (1.63, 0.65, 25.42 ppm; 3.10 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LEU 64 + QD2 LEU 64 OK 99 100 - 99 - 3.1=97, 1851/2.1=17...(19) HG3 LYS 34 - QD2 LEU 64 OK 41 100 - 41 - 1851/2.1=6, 2.9/9879=5...(14) HB2 LEU 87 - QD2 LEU 64 OK 41 92 - 44 - 1843=7, 1851/2.1=6...(16) HD2 LYS 24 - QD2 LEU 64 OK 15 100 - 15 - 11360/4.9=3, 1851/2.1=2...(6) HG3 ARG 49 - QD2 LEU 64 OK 10 68 - 15 - 1843=2, 3.0/10625=2...(5) HG3 ARG 144 - QD2 LEU 64 lone 7 77 - 9 - 3.0/11014=1, 1843=1, 1851/2.1=1 HG3 LYS 48 - QD2 LEU 64 lone 5 68 - 7 - 2.9/11014=1 Peak 1844 from aliabs.peaks (1.15, 0.65, 25.42 ppm; 2.94 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 QG2 THR 92 + QD2 LEU 64 OK 46 92 - 50 - 9027/2.1=16, 9026/3.1=8...(13) Peak 1845 from aliabs.peaks (0.65, 0.65, 25.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 Peak 1846 from aliabs.peaks (0.87, 0.65, 25.42 ppm; 2.60 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 + QD2 LEU 64 OK 51 100 - 51 - 1846=11, 1838/2.1=6...(22) HB3 LEU 42 - QD2 LEU 64 OK 31 100 - 31 - 3.1/8156=6, 1846=5...(13) Peak 1849 from aliabs.peaks (4.18, 0.87, 22.38 ppm; 2.94 A): 2 out of 5 assignments used, quality = 0.85: * HA LEU 64 + QD1 LEU 64 OK 79 100 - 79 - 3.9=41, 3.6/1855=14...(17) HA TRP 88 + QD1 LEU 64 OK 28 92 - 30 - 10068/2.1=7, 1841/2.1=6...(10) HA PHE 38 - QD1 LEU 64 poor 9 85 - 10 - 1841/2.1=2, ~4739=2...(4) HA CYS 121 - QD1 LEU 64 lone 5 99 - 5 - 1841/2.1=2 HA GLU 120 - QD1 LEU 64 lone 2 62 - 3 - Peak 1850 from aliabs.peaks (0.92, 0.87, 22.38 ppm; 2.50 A): 4 out of 5 assignments used, quality = 0.91: * HB2 LEU 64 + QD1 LEU 64 OK 75 100 - 75 - 3.2=48, 1.8/1851=12...(15) QD2 LEU 29 + QD1 LEU 64 OK 37 98 - 37 - 8074/2.1=8, 1842/2.1=5...(16) QG1 VAL 63 + QD1 LEU 64 OK 26 72 - 36 - 9869/2.1=7, ~8353=5...(14) HB2 LEU 108 + QD1 LEU 64 OK 22 85 - 26 - 1842/2.1=3, 1834/2.1=2...(9) QG2 VAL 80 - QD1 LEU 64 lone 3 72 - 4 - Peak 1851 from aliabs.peaks (1.63, 0.87, 22.38 ppm; 2.95 A): 2 out of 7 assignments used, quality = 0.96: * HB3 LEU 64 + QD1 LEU 64 OK 93 100 - 93 - 3.2=79, 1.8/1822=19...(17) HB2 LEU 87 + QD1 LEU 64 OK 34 92 - 38 - 1843/2.1=5, 1828/2.1=5...(13) HG3 LYS 34 - QD1 LEU 64 OK 32 100 - 33 - 1.8/10626=6, 1843/2.1=5...(12) HD2 LYS 24 - QD1 LEU 64 OK 12 100 - 12 - 11360/4.5=3, 1843/2.1=2...(4) HG3 ARG 49 - QD1 LEU 64 poor 8 68 - 12 - 3.0/9881=2, 1843/2.1=1 HG3 ARG 144 - QD1 LEU 64 lone 6 77 - 8 - 1843/2.1=1 HG3 LYS 48 - QD1 LEU 64 lone 3 68 - 4 - Peak 1852 from aliabs.peaks (1.15, 0.87, 22.38 ppm; 2.77 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 QG2 THR 92 + QD1 LEU 64 OK 53 92 - 58 - 9027=22, 1844/2.1=9...(13) Peak 1853 from aliabs.peaks (0.65, 0.87, 22.38 ppm; 2.65 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 QD1 ILE 56 + QD1 LEU 64 OK 49 98 - 50 - 1481=10, 1837/2.1=5...(22) QD1 LEU 126 - QD1 LEU 64 OK 34 96 - 36 - 1853=9, 1837/2.1=5...(15) Peak 1854 from aliabs.peaks (0.87, 0.87, 22.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 1857 from aliabs.peaks (4.36, 4.36, 52.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 65 + HA ASP 65 OK 100 100 - 100 Peak 1858 from aliabs.peaks (2.48, 4.36, 52.38 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 HB3 GLU 131 - HA ASP 65 OK 14 92 - 15 - 1868/3.0=3, 8065/8062=2...(5) Peak 1859 from aliabs.peaks (3.04, 4.36, 52.38 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 HB2 PHE 67 - HA ASP 65 OK 30 62 - 49 - 3.7/8398=19, ~1943=6...(13) HB2 HIS 10 - HA ASP 65 OK 16 100 - 16 - 1864/3.0=3, 4.7/10976=2...(7) HE2 LYS 34 - HA ASP 65 lone 4 68 - 7 - 10564/10902=2 Peak 1862 from aliabs.peaks (4.36, 2.48, 38.87 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB2 ASP 65 OK 41 99 - 41 - 2.1/8381=9, 1867/1.8=8...(12) HA ARG 144 - HB2 ASP 65 OK 29 98 - 30 - 1867/1.8=6, 6628/4.0=4...(10) HA3 GLY 77 - HB2 ASP 65 OK 13 94 - 14 - 1867/1.8=3, ~2341=2...(7) HA ASN 96 - HB2 ASP 65 lone 4 72 - 5 - Peak 1863 from aliabs.peaks (2.48, 2.48, 38.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + HB2 ASP 65 OK 100 100 - 100 Peak 1864 from aliabs.peaks (3.04, 2.48, 38.87 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 1.8=100 HB2 PHE 67 - HB2 ASP 65 OK 21 62 - 33 - ~1943=7, 1859/3.0=5...(12) HB2 HIS 10 - HB2 ASP 65 OK 12 100 - 12 - 1859/3.0=3, ~10=2, ~10=2...(5) HE2 LYS 34 - HB2 ASP 65 lone 3 68 - 4 - Peak 1867 from aliabs.peaks (4.36, 3.04, 38.87 ppm; 5.05 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 3.0=100 HB THR 51 + HB3 ASP 65 OK 46 99 - 47 - 1862/1.8=10, ~8381=7...(14) HA ARG 144 - HB3 ASP 65 OK 34 98 - 35 - 1862/1.8=7, ~8385=5...(10) HA3 GLY 77 - HB3 ASP 65 OK 15 94 - 16 - 1862/1.8=3, ~2341=3...(6) HA ASN 96 - HB3 ASP 65 lone 4 72 - 6 - 9083/8384=1 Peak 1868 from aliabs.peaks (2.48, 3.04, 38.87 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 1.8=100 HB3 GLU 131 - HB3 ASP 65 OK 11 92 - 12 - 1858/3.0=3, 8066/8068=3, ~4443=1 Peak 1869 from aliabs.peaks (3.04, 3.04, 38.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 65 + HB3 ASP 65 OK 100 100 - 100 Peak 1871 from aliabs.peaks (7.64, 3.84, 56.99 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 66 + HA LEU 66 OK 100 100 - 100 - 2.8=100 H VAL 82 + HA LEU 66 OK 86 98 - 87 - 1906/4.0=21, 1914/4.0=20...(19) Peak 1872 from aliabs.peaks (3.84, 3.84, 56.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 66 + HA LEU 66 OK 100 100 - 100 Peak 1873 from aliabs.peaks (1.58, 3.84, 56.99 ppm; 5.25 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 66 + HA LEU 66 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HA LEU 66 OK 77 100 - 77 - 3561/3.7=11, 2.8/1875=9...(30) HB2 LEU 126 + HA LEU 66 OK 56 72 - 78 - 3.1/10786=20...(30) HG3 ARG 124 - HA LEU 66 OK 40 100 - 40 - 11072/10786=4, ~11074=4...(19) HG3 LYS 36 - HA LEU 66 OK 39 100 - 39 - ~688=4, 1908/4.0=4...(19) HB2 LEU 79 - HA LEU 66 OK 26 68 - 39 - 3.1/11154=17, ~11441=5...(9) HD3 LYS 85 - HA LEU 66 OK 25 94 - 27 - 1916/4.0=3, 1908/4.0=3...(9) HD2 LYS 85 - HA LEU 66 OK 16 62 - 26 - 1892/3.0=2, 1908/4.0=2...(9) HG3 ARG 145 - HA LEU 66 OK 13 62 - 21 - 3.0/11127=2, 3.0/11127=2...(9) HG2 ARG 145 - HA LEU 66 OK 13 62 - 20 - 3.0/11127=2, 3.0/11127=2...(9) HD3 LYS 61 - HA LEU 66 lone 4 68 - 6 - HD2 LYS 61 - HA LEU 66 lone 4 62 - 6 - Peak 1874 from aliabs.peaks (1.47, 3.84, 56.99 ppm; 4.78 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 66 + HA LEU 66 OK 100 100 - 100 - 3.0=100 HG LEU 126 + HA LEU 66 OK 71 99 - 72 - 2.1/10786=21, 1917/4.0=7...(28) HB2 LYS 76 + HA LEU 66 OK 49 89 - 55 - 4.0/9855=12, 1909/4.0=7...(19) HB3 LYS 114 - HA LEU 66 OK 29 72 - 39 - 6649/3.6=5, 1917/4.0=5...(15) HG3 LYS 86 - HA LEU 66 OK 28 100 - 28 - 1.8/1880=3, ~2708=3...(12) Peak 1875 from aliabs.peaks (1.76, 3.84, 56.99 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 66 + HA LEU 66 OK 100 100 - 100 - 3.7=100 HG LEU 39 + HA LEU 66 OK 47 77 - 60 - ~11496=9, 2.1/1877=9...(18) HB ILE 83 - HA LEU 66 OK 32 85 - 37 - 3.2/1877=6, 1918/4.0=5...(12) HB3 ARG 35 - HA LEU 66 OK 29 94 - 31 - 2.9/11628=6, ~11443=5...(10) HG LEU 95 - HA LEU 66 OK 18 100 - 18 - ~11441=2, ~10944=2...(8) HB2 PRO 12 - HA LEU 66 OK 16 100 - 16 - 11048/3.6=4, 1910/4.0=3...(5) Peak 1876 from aliabs.peaks (0.60, 3.84, 56.99 ppm; 3.54 A): 3 out of 3 assignments used, quality = 0.97: * QD1 LEU 66 + HA LEU 66 OK 88 100 - 88 - 4.0=70, 1906/2.8=13...(18) QD1 LEU 132 + HA LEU 66 OK 46 100 - 46 - 1876=8, 1919/4.0=6...(18) QG1 VAL 71 + HA LEU 66 OK 44 92 - 48 - 2.1/8506=11, 1876=8...(14) Peak 1877 from aliabs.peaks (0.69, 3.84, 56.99 ppm; 4.07 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HA LEU 66 OK 100 100 - 100 - 4.0=100 QD2 LEU 39 + HA LEU 66 OK 58 89 - 66 - 11496/3.0=13, 6652/3.6=9...(19) QD1 ILE 83 + HA LEU 66 OK 47 96 - 49 - 10004/4.0=10, 1888/3.0=6...(16) HB3 LEU 116 - HA LEU 66 OK 35 62 - 56 - 3.2/8390=18, 3.1/8390=12...(14) Peak 1879 from aliabs.peaks (8.63, 3.84, 56.99 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.89: * H LEU 69 + HA LEU 66 OK 83 100 - 83 - 6660/3.6=29, 4.0/8393=21...(16) H LEU 42 + HA LEU 66 OK 37 98 - 38 - 6660/3.6=10, 10734/4.0=9...(12) Peak 1880 from aliabs.peaks (1.38, 3.84, 56.99 ppm; 4.59 A): 5 out of 7 assignments used, quality = 0.99: * HB2 LEU 69 + HA LEU 66 OK 70 100 - 70 - 4.0/1879=20, 3.2/8390=17...(13) HB3 LEU 39 + HA LEU 66 OK 66 94 - 70 - ~11442=12, ~8392=10...(21) HB2 ARG 109 + HA LEU 66 OK 63 96 - 66 - 1.8/1875=9, 9273/4.0=8...(27) HG LEU 132 + HA LEU 66 OK 51 96 - 52 - 2.1/1876=12, 2.1/9572=9...(14) HB VAL 82 + HA LEU 66 OK 46 92 - 50 - ~2491=9, 2479/2.8=8...(11) HG2 LYS 86 - HA LEU 66 OK 25 94 - 27 - 2708/3.0=4, 1.8/1874=4...(10) HG2 ARG 49 - HA LEU 66 lone 6 72 - 9 - Peak 1881 from aliabs.peaks (1.90, 3.84, 56.99 ppm; 4.43 A): 5 out of 10 assignments used, quality = 0.88: * HB3 LEU 69 + HA LEU 66 OK 68 100 - 68 - 4.0/1879=18, 3.2/8390=16...(14) HB ILE 101 + HA LEU 66 OK 31 100 - 31 - 2.1/11155=5, 9168=5...(8) QE MET 68 + HA LEU 66 OK 28 85 - 33 - 5.9/6663=7, 8425/4.0=5...(8) HB3 ARG 89 + HA LEU 66 OK 16 98 - 16 - 9890/4.0=2, 2871/3.7=2 HB3 GLN 111 + HA LEU 66 OK 12 94 - 13 - 4.6/7356=2, ~3615=1 HB2 MET 59 - HA LEU 66 lone 8 94 - 9 - 9890/4.0=2, 4.2/10564=1 HB2 GLN 62 - HA LEU 66 lone 6 92 - 7 - 8347/4.0=2 HB3 LYS 24 - HA LEU 66 lone 5 94 - 6 - 11234/3.6=1 HB3 ARG 140 - HA LEU 66 lone 3 72 - 4 - HB3 LYS 93 - HA LEU 66 lone 3 68 - 4 - Peak 1883 from aliabs.peaks (3.84, 1.58, 43.18 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB2 LEU 66 OK 60 99 - 61 - 9620/3.1=13, 1915/3.1=12...(20) HB2 SER 127 - HB2 LEU 66 OK 29 96 - 30 - 1891/1.8=5, 4.0/7584=5...(8) HB2 SER 100 - HB2 LEU 66 OK 29 96 - 30 - 1891/1.8=5, 1915/3.1=5...(11) HA ALA 104 - HB2 LEU 66 OK 27 92 - 29 - 10195/4.4=8, 1907/3.1=5...(6) Peak 1884 from aliabs.peaks (1.58, 1.58, 43.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 66 + HB2 LEU 66 OK 100 100 - 100 Peak 1885 from aliabs.peaks (1.47, 1.58, 43.18 ppm; 5.78 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 1.8=100 HG LEU 126 + HB2 LEU 66 OK 87 99 - 89 - ~10786=16, ~11154=15...(34) HB2 LYS 76 + HB2 LEU 66 OK 61 89 - 68 - ~9891=13, ~9899=9...(18) HB3 LYS 114 - HB2 LEU 66 OK 44 72 - 61 - ~9862=14, ~9900=7...(18) HG3 LYS 86 - HB2 LEU 66 OK 41 100 - 41 - ~2686=5, ~2708=5...(14) Peak 1886 from aliabs.peaks (1.76, 1.58, 43.18 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: * HG LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 2.9=100 HB ILE 83 + HB2 LEU 66 OK 81 85 - 95 - ~10004=14, 3.2/1888=12...(33) HB3 ARG 35 + HB2 LEU 66 OK 78 94 - 83 - ~11466=17, ~10990=13...(21) HG LEU 39 + HB2 LEU 66 OK 76 77 - 99 - ~10792=29, ~11159=29...(38) HB2 PRO 12 + HB2 LEU 66 OK 67 100 - 67 - ~8400=20, ~8400=19...(18) HG LEU 95 - HB2 LEU 66 OK 36 100 - 36 - 1903/3.1=4, 1899/3.0=4...(14) Peak 1887 from aliabs.peaks (0.60, 1.58, 43.18 ppm; 6.04 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.1=100 QD1 LEU 132 + HB2 LEU 66 OK 83 100 - 83 - 1895/1.8=15, 1876/3.0=13...(25) QG1 VAL 71 + HB2 LEU 66 OK 80 92 - 87 - ~9898=21, 1895/1.8=14...(22) Peak 1888 from aliabs.peaks (0.69, 1.58, 43.18 ppm; 4.56 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HB2 LEU 66 OK 100 100 - 100 - 3.1=100 QD2 LEU 39 + HB2 LEU 66 OK 80 89 - 90 - 11496=17, ~10792=12...(35) QD1 ILE 83 + HB2 LEU 66 OK 75 96 - 77 - 10004/3.1=15, 1896/1.8=9...(35) HB3 LEU 116 + HB2 LEU 66 OK 53 62 - 85 - 3.2/11090=15...(29) Peak 1891 from aliabs.peaks (3.84, 1.47, 43.18 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB3 LEU 66 OK 65 99 - 66 - 9620/3.1=13, 1915/3.1=12...(22) HB2 SER 100 - HB3 LEU 66 OK 31 96 - 32 - 1883/1.8=5, 1915/3.1=5...(12) HB2 SER 127 - HB3 LEU 66 OK 28 96 - 29 - 1883/1.8=5, 1915/3.1=4...(8) HA ALA 104 - HB3 LEU 66 OK 26 92 - 29 - 10195/4.4=8, 1907/3.1=5...(6) Peak 1892 from aliabs.peaks (1.58, 1.47, 43.18 ppm; 6.80 A): 6 out of 12 assignments used, quality = 1.00: * HB2 LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 1.8=100 HG3 ARG 109 + HB3 LEU 66 OK 96 100 - 97 - 10733/4.4=15, ~9274=14...(48) HB2 LEU 126 + HB3 LEU 66 OK 67 72 - 93 - ~10786=17, ~11154=16...(36) HG3 LYS 36 + HB3 LEU 66 OK 60 100 - 60 - ~9865=7, ~1886=5, ~688=5...(24) HG3 ARG 124 + HB3 LEU 66 OK 58 100 - 58 - 4.9/7543=8, 3.0/11074=7...(23) HD3 LYS 85 + HB3 LEU 66 OK 49 94 - 51 - ~9860=4, ~8403=4...(22) HD2 LYS 85 - HB3 LEU 66 OK 32 62 - 52 - ~9860=4, ~8403=4...(22) HB2 LEU 79 - HB3 LEU 66 OK 29 68 - 44 - ~11154=15, ~10786=11...(12) HG3 ARG 145 - HB3 LEU 66 OK 23 62 - 37 - 1.8/1892=2, ~1900=2...(19) HG2 ARG 145 - HB3 LEU 66 OK 23 62 - 36 - 1.8/1892=2, ~11127=2...(19) HD3 LYS 61 - HB3 LEU 66 poor 9 68 - 14 - ~8335=3, ~9827=2, 1908/3.1=1 HD2 LYS 61 - HB3 LEU 66 poor 9 62 - 14 - ~8335=3, ~9827=2, ~1908=1 Peak 1893 from aliabs.peaks (1.47, 1.47, 43.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 66 + HB3 LEU 66 OK 100 100 - 100 Peak 1894 from aliabs.peaks (1.76, 1.47, 43.18 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: * HG LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 2.9=100 HB ILE 83 + HB3 LEU 66 OK 81 85 - 95 - ~10004=14, 3.2/1896=12...(31) HB3 ARG 35 + HB3 LEU 66 OK 78 94 - 83 - ~11466=17, ~10990=13...(21) HG LEU 39 + HB3 LEU 66 OK 76 77 - 99 - ~10792=29, ~11159=29...(37) HB2 PRO 12 + HB3 LEU 66 OK 67 100 - 67 - ~8400=20, ~8400=19...(17) HG LEU 95 - HB3 LEU 66 OK 36 100 - 36 - 1903/3.1=4, 1899/3.0=4...(13) Peak 1895 from aliabs.peaks (0.60, 1.47, 43.18 ppm; 4.59 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.1=100 QD1 LEU 132 + HB3 LEU 66 OK 68 100 - 68 - 1919/3.1=11, 1876/3.0=11...(21) QG1 VAL 71 + HB3 LEU 66 OK 66 92 - 71 - ~9898=12, 1876/3.0=10...(20) Peak 1896 from aliabs.peaks (0.69, 1.47, 43.18 ppm; 4.88 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + HB3 LEU 66 OK 100 100 - 100 - 3.1=100 QD2 LEU 39 + HB3 LEU 66 OK 83 89 - 93 - 11496/1.8=20...(34) QD1 ILE 83 + HB3 LEU 66 OK 79 96 - 82 - 10004/3.1=15...(30) HB3 LEU 116 + HB3 LEU 66 OK 56 62 - 90 - ~11090=13, ~8390=12...(31) Peak 1899 from aliabs.peaks (3.84, 1.76, 26.41 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 66 + HG LEU 66 OK 100 100 - 100 - 3.7=100 HA GLN 133 + HG LEU 66 OK 61 99 - 62 - 9620/2.1=13, 1915/2.1=12...(16) HB2 SER 127 + HG LEU 95 OK 45 84 - 54 - 10363/2.1=29, ~10364=9...(9) HA LEU 66 - HG LEU 95 OK 36 91 - 39 - ~11441=6, ~10944=6...(11) HB2 SER 100 - HG LEU 66 OK 27 96 - 28 - 1915/2.1=5, 1891/2.9=5...(6) HA ALA 104 - HG LEU 95 OK 26 79 - 33 - ~10096=21, ~10117=6, 10200/2.1=2 HB2 SER 127 - HG LEU 66 OK 25 96 - 26 - 1883/2.9=5, 1915/2.1=4...(6) HA ALA 104 - HG LEU 66 OK 24 92 - 26 - 1907/2.1=5, 1915/2.1=5...(6) HA GLN 133 - HG LEU 95 OK 15 88 - 17 - ~9621=5, 9653/9643=2...(5) HB2 SER 100 - HG LEU 95 lone 5 84 - 6 - Peak 1900 from aliabs.peaks (1.58, 1.76, 26.41 ppm; 5.23 A): 6 out of 24 assignments used, quality = 1.00: * HB2 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.9=100 HG3 ARG 109 + HG LEU 66 OK 90 100 - 91 - 3561=11, ~9274=11...(41) HB2 LEU 126 + HG LEU 66 OK 55 72 - 76 - ~1917=6, ~4286=6...(32) HG3 LYS 36 + HG LEU 66 OK 51 100 - 51 - ~9865=6, 1908/2.1=5...(23) HG3 ARG 124 + HG LEU 95 OK 49 90 - 55 - ~11070=6, ~10675=6...(27) HB2 LEU 79 + HG LEU 95 OK 49 56 - 87 - 3.1/8736=15, 3.1/3148=13...(31) HG3 ARG 124 - HG LEU 66 OK 39 100 - 40 - 1916/2.1=4, ~11074=4...(19) HD3 LYS 85 - HG LEU 66 OK 38 94 - 40 - 1916/2.1=4, 1908/2.1=4...(15) HD2 LYS 85 - HG LEU 66 OK 25 62 - 40 - ~9860=3, ~8403=3...(15) HB2 LEU 66 - HG LEU 95 OK 25 91 - 27 - 3.1/1903=3, 3.0/1875=3...(12) HB2 LEU 126 - HG LEU 95 OK 24 60 - 40 - ~10257=4, 11077/4.3=3...(20) HG3 ARG 145 - HG LEU 66 OK 18 62 - 28 - 1.8/1900=2, ~1916=2...(13) HG2 ARG 145 - HG LEU 66 OK 18 62 - 28 - 1.8/1900=2, ~1916=2...(13) HD3 LYS 85 - HG LEU 95 OK 15 82 - 18 - 3.6/3146=3, ~2617=3...(6) HG3 ARG 109 - HG LEU 95 OK 13 89 - 15 - ~9275=3, ~9073=1...(4) HB2 LEU 79 - HG LEU 66 OK 13 68 - 19 - 3.1/8736=5, 1873/3.7=2...(7) HD2 LYS 85 - HG LEU 95 poor 9 51 - 17 - 3.6/3146=3, ~2617=3...(6) HD3 LYS 61 - HG LEU 66 poor 7 68 - 11 - ~8335=2, ~9827=1, 1908/2.1=1 HG3 ARG 145 - HG LEU 95 poor 7 51 - 14 - ~9069=1 HG2 ARG 145 - HG LEU 95 poor 7 51 - 14 - ~9069=1 HD2 LYS 61 - HG LEU 66 poor 7 62 - 11 - ~8335=2, ~9827=1 HG3 LYS 36 - HG LEU 95 lone 7 90 - 7 - 2391/8736=1 HD3 LYS 61 - HG LEU 95 lone 2 56 - 3 - HD2 LYS 61 - HG LEU 95 lone 1 51 - 3 - Peak 1901 from aliabs.peaks (1.47, 1.76, 26.41 ppm; 6.80 A): 5 out of 10 assignments used, quality = 1.00: * HB3 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.9=100 HG LEU 126 + HG LEU 66 OK 84 99 - 85 - 1874/3.7=12, 1885/2.9=12...(28) HG3 LYS 86 + HG LEU 95 OK 78 89 - 88 - ~2709=14, 2720/3.0=13...(21) HB2 LYS 76 + HG LEU 66 OK 68 89 - 76 - ~9891=19, ~9899=13...(19) HB3 LYS 114 + HG LEU 66 OK 48 72 - 67 - ~9862=20, ~9900=10...(19) HG LEU 126 - HG LEU 95 OK 44 88 - 50 - ~10257=8, ~3140=5...(19) HG3 LYS 86 - HG LEU 66 OK 40 100 - 40 - 1885/2.9=5, ~2686=5...(11) HB3 LEU 66 - HG LEU 95 OK 34 91 - 37 - 1894=4, 3.1/1903=4...(13) HB2 LYS 76 - HG LEU 95 poor 9 76 - 11 - ~9074=3, ~9074=2 HB3 LYS 114 - HG LEU 95 poor 7 60 - 12 - Peak 1902 from aliabs.peaks (1.76, 1.76, 26.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 66 + HG LEU 66 OK 100 100 - 100 HG LEU 95 + HG LEU 95 OK 90 90 - 100 Peak 1903 from aliabs.peaks (0.60, 1.76, 26.41 ppm; 4.52 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.1=100 QD1 LEU 132 + HG LEU 66 OK 68 100 - 68 - 1919/2.1=12, 1895/2.9=9...(20) QG1 VAL 71 + HG LEU 66 OK 65 92 - 71 - ~9898=15, 1919/2.1=10...(16) QD1 LEU 132 - HG LEU 95 OK 33 91 - 36 - 10423=6, ~8741=5...(14) QD1 LEU 66 - HG LEU 95 OK 25 91 - 28 - 2.1/1918=3, 1910=3...(16) QG1 VAL 71 - HG LEU 95 OK 19 79 - 25 - ~8496=3, ~8516=3...(13) Peak 1904 from aliabs.peaks (0.69, 1.76, 26.41 ppm; 4.38 A): 5 out of 8 assignments used, quality = 1.00: * QD2 LEU 66 + HG LEU 66 OK 100 100 - 100 - 2.1=100 QD1 ILE 83 + HG LEU 66 OK 78 96 - 81 - 10004/2.1=16, 1904=9...(32) QD2 LEU 39 + HG LEU 66 OK 76 89 - 86 - 11496/2.9=15, ~10792=12...(30) QD1 ILE 83 + HG LEU 95 OK 63 84 - 75 - 10023/3.0=8, 2540=7...(28) HB3 LEU 116 + HG LEU 66 OK 50 62 - 81 - ~9393=10, ~9900=10...(26) QD2 LEU 66 - HG LEU 95 OK 25 91 - 27 - 1918=3, 2.1/1903=3...(14) QD2 LEU 39 - HG LEU 95 OK 11 76 - 14 - ~8113=1 HB3 LEU 116 - HG LEU 95 lone 5 51 - 10 - ~10297=2, ~10116=1, ~10097=1 Peak 1906 from aliabs.peaks (7.64, 0.60, 21.23 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 66 + QD1 LEU 66 OK 95 100 - 95 - 4.5=85, 2.8/1907=20...(15) H VAL 82 + QD1 LEU 66 OK 74 98 - 76 - 1906=17, ~9910=14...(22) Peak 1907 from aliabs.peaks (3.84, 0.60, 21.23 ppm; 3.39 A): 5 out of 5 assignments used, quality = 0.94: * HA LEU 66 + QD1 LEU 66 OK 84 100 - 84 - 4.0=61, 2.8/1906=12...(17) HA GLN 133 + QD1 LEU 66 OK 39 99 - 40 - 1907=9, 1915/2.1=4...(13) HA ALA 104 + QD1 LEU 66 OK 17 92 - 18 - 1915/2.1=2, 9194/9857=2...(4) HB2 SER 100 + QD1 LEU 66 OK 14 96 - 15 - 1907=3, 1915/2.1=2 HB2 SER 127 + QD1 LEU 66 OK 13 96 - 13 - 1915/2.1=1 Peak 1908 from aliabs.peaks (1.58, 0.60, 21.23 ppm; 3.53 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 3.1=100 HG3 ARG 109 + QD1 LEU 66 OK 66 100 - 67 - 3561/2.1=10, 2.8/1910=7...(29) HB2 LEU 126 - QD1 LEU 66 OK 34 72 - 46 - 3.0/1909=5, 1908=5...(27) HG3 LYS 36 - QD1 LEU 66 OK 30 100 - 30 - 1.8/9865=6, 2.9/1910=3...(14) HD3 LYS 85 - QD1 LEU 66 OK 23 94 - 24 - 1908=3, 1.8/1908=3...(8) HG3 ARG 124 - QD1 LEU 66 OK 20 100 - 20 - 1916/2.1=3, 1908=2...(5) HD2 LYS 85 - QD1 LEU 66 OK 15 62 - 24 - 1908=3, 2.9/9860=2...(9) HG3 ARG 145 - QD1 LEU 66 poor 9 62 - 14 - 1908=2, 1.8/1908=2, 1916/2.1=1 HG2 ARG 145 - QD1 LEU 66 poor 8 62 - 13 - 1.8/1908=2, 1908=1, 1916/2.1=1 HD3 LYS 61 - QD1 LEU 66 poor 7 68 - 10 - 5.2/8330=1, 3.0/8335=1...(4) HD2 LYS 61 - QD1 LEU 66 poor 6 62 - 10 - 5.2/8330=1, 3.0/8335=1...(4) HB2 LEU 79 - QD1 LEU 66 lone 6 68 - 9 - ~8736=2 Peak 1909 from aliabs.peaks (1.47, 0.60, 21.23 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 3.1=100 HG LEU 126 - QD1 LEU 66 OK 40 99 - 41 - 1917/2.1=6, 1909=4...(24) HB2 LYS 76 - QD1 LEU 66 OK 38 89 - 43 - 3.0/9891=10, 1909=9...(15) HB3 LYS 114 - QD1 LEU 66 OK 25 72 - 35 - ~9862=6, 1909=6...(12) HG3 LYS 86 - QD1 LEU 66 OK 14 100 - 14 - 1917/2.1=2, 2.9/9890=2...(6) Peak 1910 from aliabs.peaks (1.76, 0.60, 21.23 ppm; 3.22 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 2.1=100 HG LEU 39 + QD1 LEU 66 OK 52 77 - 67 - 3.0/10990=12, 2.1/1912=9...(25) HB ILE 83 + QD1 LEU 66 OK 47 85 - 56 - 3.2/10004=9, 1918/2.1=5...(26) HB3 ARG 35 - QD1 LEU 66 OK 41 94 - 44 - 2.9/10990=8, 1.8/9865=8...(15) HB2 PRO 12 - QD1 LEU 66 OK 27 100 - 27 - ~8400=6, ~8400=5...(8) HG LEU 95 - QD1 LEU 66 OK 15 100 - 15 - 1918/2.1=2, 1903=1...(4) Peak 1911 from aliabs.peaks (0.60, 0.60, 21.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 66 + QD1 LEU 66 OK 100 100 - 100 Peak 1912 from aliabs.peaks (0.69, 0.60, 21.23 ppm; 2.60 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 66 + QD1 LEU 66 OK 100 100 - 100 - 2.1=100 QD2 LEU 39 + QD1 LEU 66 OK 48 89 - 54 - 1912=10, 2.1/11159=9...(22) QD1 ILE 83 - QD1 LEU 66 OK 45 96 - 46 - 10004=13, 2.1/10784=4...(21) HB3 LEU 116 - QD1 LEU 66 OK 26 62 - 41 - 3.1/9889=7, 3.2/9856=7...(23) Peak 1913 from aliabs.peaks (7.31, 0.60, 21.23 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.97: QD TYR 115 + QD1 LEU 66 OK 84 100 - 84 - 2.2/9903=22, 4750/2.1=18...(18) * H PHE 67 + QD1 LEU 66 OK 83 100 - 83 - 1913=28, 1921/2.1=19...(22) H ASP 30 - QD1 LEU 66 OK 18 100 - 18 - 1921/2.1=3, 5663/9903=2...(5) Peak 1914 from aliabs.peaks (7.64, 0.69, 24.82 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 4.5=100 H VAL 82 + QD2 LEU 66 OK 82 98 - 84 - 3.4/9910=29, 1906/2.1=19...(23) Peak 1915 from aliabs.peaks (3.84, 0.69, 24.82 ppm; 4.92 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 4.0=100 HA GLN 133 + QD2 LEU 66 OK 50 99 - 51 - 1907/2.1=12, 1915=8...(17) HB2 SER 100 - QD2 LEU 66 OK 21 96 - 22 - 1907/2.1=4, 1915=3...(8) HA ALA 104 - QD2 LEU 66 OK 20 92 - 22 - 1907/2.1=5, 1883/3.1=2...(8) HB2 SER 127 - QD2 LEU 66 OK 18 96 - 19 - 1907/2.1=4, 9520/9984=3...(6) Peak 1916 from aliabs.peaks (1.58, 0.69, 24.82 ppm; 3.72 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 3.1=100 HG3 ARG 109 + QD2 LEU 66 OK 72 100 - 72 - 3561/2.1=10, 3.0/9274=8...(30) HB2 LEU 126 - QD2 LEU 66 OK 37 72 - 51 - 3.0/1917=6, 1916=5...(30) HG3 ARG 124 - QD2 LEU 66 OK 30 100 - 30 - 4.9/9475=6, 4.9/9491=4...(11) HG3 LYS 36 - QD2 LEU 66 OK 27 100 - 27 - ~9865=4, 1908/2.1=3...(12) HD3 LYS 85 - QD2 LEU 66 OK 25 94 - 27 - 1.8/1916=3, 1908/2.1=3...(11) HD2 LYS 85 - QD2 LEU 66 OK 17 62 - 27 - 1916=3, 1.8/1916=3...(9) HG3 ARG 145 - QD2 LEU 66 OK 11 62 - 17 - 1.8/1916=2, 1916=2, 1908/2.1=1 HG2 ARG 145 - QD2 LEU 66 OK 10 62 - 16 - 1.8/1916=2, 1916=2, 1908/2.1=1 HB2 LEU 79 - QD2 LEU 66 lone 6 68 - 9 - ~8736=2 HD3 LYS 61 - QD2 LEU 66 lone 4 68 - 5 - ~8335=1 HD2 LYS 61 - QD2 LEU 66 lone 3 62 - 5 - ~8335=1 Peak 1917 from aliabs.peaks (1.47, 0.69, 24.82 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 3.1=100 HG LEU 126 + QD2 LEU 66 OK 49 99 - 50 - 1909/2.1=7, 4292/3.1=4...(27) HB2 LYS 76 - QD2 LEU 66 OK 41 89 - 46 - 3.0/9899=8, 1917=8...(15) HB3 LYS 114 - QD2 LEU 66 OK 33 72 - 45 - 2.9/9862=15, 1917=6...(15) HG3 LYS 86 - QD2 LEU 66 OK 16 100 - 16 - 1909/2.1=3, ~2708=2...(9) Peak 1918 from aliabs.peaks (1.76, 0.69, 24.82 ppm; 3.54 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 2.1=100 HB ILE 83 + QD2 LEU 66 OK 56 85 - 65 - 2.1/2520=9, 2512=8...(30) HG LEU 39 + QD2 LEU 66 OK 56 77 - 72 - 2.1/859=10, 851=7...(26) HB3 ARG 35 - QD2 LEU 66 OK 42 94 - 45 - 2.9/9900=8, ~11466=6...(16) HB2 PRO 12 - QD2 LEU 66 OK 31 100 - 31 - 2.3/8400=10, 1910/2.1=4...(14) HG LEU 95 - QD2 LEU 66 OK 19 100 - 18 - 1910/2.1=2, 1904=2...(6) Peak 1919 from aliabs.peaks (0.60, 0.69, 24.82 ppm; 2.92 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 66 + QD2 LEU 66 OK 100 100 - 100 - 2.1=100 QD1 LEU 132 - QD2 LEU 66 OK 44 100 - 45 - 1919=7, 9329/11045=4...(19) QG1 VAL 71 - QD2 LEU 66 OK 39 92 - 42 - 1919=7, ~9898=5...(15) Peak 1920 from aliabs.peaks (0.69, 0.69, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 66 + QD2 LEU 66 OK 100 100 - 100 Peak 1921 from aliabs.peaks (7.31, 0.69, 24.82 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.99: QD TYR 115 + QD2 LEU 66 OK 92 100 - 93 - 2.2/9907=23, 4750=20...(28) * H PHE 67 + QD2 LEU 66 OK 83 100 - 83 - 1921=26, 1913/2.1=23...(22) H ASP 30 - QD2 LEU 66 OK 16 100 - 16 - 1913/2.1=4, 5663/9907=2...(4) Peak 1922 from aliabs.peaks (7.31, 4.20, 58.65 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 67 + HA PHE 67 OK 100 100 - 100 - 2.8=100 QD TYR 115 + HA PHE 67 OK 56 100 - 57 - 1941/3.0=11, 2.5/1925=9...(17) H ASP 30 - HA PHE 67 OK 14 100 - 14 - 8078/4.9=8, 1941/3.0=3 Peak 1923 from aliabs.peaks (4.20, 4.20, 58.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 67 + HA PHE 67 OK 100 100 - 100 Peak 1924 from aliabs.peaks (3.02, 4.20, 58.65 ppm; 5.51 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 67 + HA PHE 67 OK 100 100 - 100 - 3.0=100 HB3 ASP 65 - HA PHE 67 OK 34 62 - 55 - ~8398=17, ~1864=9...(9) HE2 LYS 36 - HA PHE 67 OK 23 100 - 23 - 1943/3.0=4, ~11234=3...(9) HE3 LYS 36 - HA PHE 67 OK 23 100 - 23 - 1943/3.0=4, ~11234=3...(9) Peak 1925 from aliabs.peaks (2.95, 4.20, 58.65 ppm; 4.22 A): 2 out of 10 assignments used, quality = 1.00: * HB3 PHE 67 + HA PHE 67 OK 100 100 - 100 - 3.0=100 HB2 TYR 115 + HA PHE 67 OK 53 100 - 54 - 2.5/1922=9, 6655/2.8=8...(19) HB2 PHE 106 - HA PHE 67 OK 24 100 - 24 - 4.7/9215=5, 1936/3.0=3...(12) HE2 LYS 85 - HA PHE 67 OK 16 100 - 16 - 6655/2.8=2, 1936/3.0=2...(8) HE3 LYS 85 - HA PHE 67 OK 14 92 - 15 - 6655/2.8=2, 1936/3.0=2...(7) HE2 LYS 48 - HA PHE 67 OK 13 100 - 13 - 1936/3.0=2, 6655/2.8=2...(7) HE3 LYS 48 - HA PHE 67 OK 12 98 - 12 - 1936/3.0=2, 6655/2.8=2...(6) HE2 LYS 93 - HA PHE 67 lone 8 100 - 8 - 1936/3.0=1, 6667/3.6=1 HE3 LYS 93 - HA PHE 67 lone 6 77 - 7 - HB2 TYR 119 - HA PHE 67 lone 2 62 - 3 - 8149/8157=1 Peak 1926 from aliabs.peaks (6.83, 4.20, 58.65 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 67 + HA PHE 67 OK 100 100 - 100 - 3.7=100 HZ2 TRP 88 - HA PHE 67 OK 40 100 - 40 - 6656/2.8=9, 1937/3.0=8...(10) Peak 1929 from aliabs.peaks (7.10, 4.20, 58.65 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H MET 68 + HA PHE 67 OK 100 100 - 100 - 3.6=100 QE PHE 45 - HA PHE 67 lone 5 68 - 8 - 1949/4.9=2, 10738/8157=1 Peak 1930 from aliabs.peaks (7.51, 4.20, 58.65 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.92: * H TYR 70 + HA PHE 67 OK 92 100 - 92 - 6700=36, 4.1/6718=26...(15) Peak 1931 from aliabs.peaks (3.15, 4.20, 58.65 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.87: * HB2 TYR 70 + HA PHE 67 OK 85 100 - 85 - 3.6/1930=45, 4.4/6718=34...(13) HA LEU 79 + HA PHE 67 OK 15 92 - 16 - 4.0/8618=10, 8794/8826=1 HB2 TRP 17 - HA PHE 67 poor 9 72 - 13 - 6.5/1922=6, 2072/1932=2...(4) Peak 1932 from aliabs.peaks (2.73, 4.20, 58.65 ppm; 5.57 A): 4 out of 6 assignments used, quality = 0.91: * HB3 TYR 70 + HA PHE 67 OK 79 100 - 79 - 3.6/1930=35, 4.4/6718=27...(10) HB3 MET 46 + HA PHE 67 OK 41 99 - 41 - ~10704=9, 3.0/11507=8...(12) HB3 ASP 13 + HA PHE 67 OK 16 94 - 17 - 10953/3.6=8, 10953/5.6=2...(5) HB3 GLU 120 + HA PHE 67 OK 13 100 - 13 - 4.6/7499=4, 5557/9911=2...(4) HB2 ASN 84 - HA PHE 67 lone 7 99 - 7 - HB3 ASP 16 - HA PHE 67 lone 2 62 - 3 - Peak 1934 from aliabs.peaks (4.20, 3.02, 38.31 ppm; 6.41 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 67 + HB2 PHE 67 OK 100 100 - 100 - 3.0=100 HA PHE 43 + HB2 PHE 67 OK 56 98 - 57 - 1934=13, 1942/1.8=11...(12) HA ILE 101 - HB2 PHE 67 lone 5 85 - 6 - ~3329=1, 11217/5.8=1, ~3337=1 HA PHE 45 - HB2 PHE 67 lone 5 62 - 7 - ~6360=3 HA ALA 134 - HB2 PHE 67 lone 4 85 - 4 - ~10324=1 HA THR 102 - HB2 PHE 67 lone 2 77 - 3 - Peak 1935 from aliabs.peaks (3.02, 3.02, 38.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 67 + HB2 PHE 67 OK 100 100 - 100 Peak 1936 from aliabs.peaks (2.95, 3.02, 38.31 ppm; 4.18 A): 2 out of 10 assignments used, quality = 1.00: * HB3 PHE 67 + HB2 PHE 67 OK 100 100 - 100 - 1.8=100 HB2 TYR 115 + HB2 PHE 67 OK 55 100 - 56 - 1936=9, 1925/3.0=7...(17) HB2 PHE 106 - HB2 PHE 67 OK 24 100 - 24 - 1936=4, 1925/3.0=3...(13) HE2 LYS 85 - HB2 PHE 67 OK 18 100 - 18 - 1936=3, 1.8/1936=2...(7) HE3 LYS 85 - HB2 PHE 67 OK 17 92 - 18 - 1936=3, 1.8/1936=3...(8) HE2 LYS 48 - HB2 PHE 67 OK 17 100 - 16 - 1936=3, 1.8/1936=2...(6) HE3 LYS 48 - HB2 PHE 67 OK 16 98 - 16 - 1936=3, 1.8/1936=2...(8) HE2 LYS 93 - HB2 PHE 67 OK 11 100 - 11 - 1936=2, 1.8/1936=1...(4) HE3 LYS 93 - HB2 PHE 67 lone 8 77 - 10 - 1.8/1936=2, 1936=1 HB2 TYR 119 - HB2 PHE 67 lone 2 62 - 3 - Peak 1941 from aliabs.peaks (7.31, 2.95, 38.31 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 67 + HB3 PHE 67 OK 100 100 - 100 - 3.7=100 QD TYR 115 + HB3 PHE 67 OK 56 100 - 57 - 1922/3.0=11, 5659=9...(16) H ASP 30 - HB3 PHE 67 OK 16 100 - 16 - 4.8/10536=3, 4.4/11381=3...(5) Peak 1943 from aliabs.peaks (3.02, 2.95, 38.31 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 67 + HB3 PHE 67 OK 100 100 - 100 - 1.8=100 HB3 ASP 65 - HB3 PHE 67 OK 21 62 - 34 - ~1864=7, ~1859=6...(9) HE2 LYS 36 - HB3 PHE 67 OK 12 100 - 12 - 1924/3.0=2, ~1924=2...(4) HE3 LYS 36 - HB3 PHE 67 OK 12 100 - 12 - 1924/3.0=2, ~1924=2...(4) Peak 1944 from aliabs.peaks (2.95, 2.95, 38.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 67 + HB3 PHE 67 OK 100 100 - 100 Peak 1948 from aliabs.peaks (7.10, 2.95, 38.31 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.94: * H MET 68 + HB3 PHE 67 OK 94 100 - 94 - 4.4=86, 6664/3.7=25...(7) QE PHE 45 - HB3 PHE 67 lone 3 68 - 4 - 1929/3.0=1 Peak 1949 from aliabs.peaks (7.10, 3.86, 55.29 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H MET 68 + HA MET 68 OK 100 100 - 100 - 2.9=100 QE PHE 45 - HA MET 68 poor 10 68 - 14 - 1959/3.0=2, 1983/3.7=2...(6) Peak 1950 from aliabs.peaks (3.86, 3.86, 55.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 68 + HA MET 68 OK 100 100 - 100 Peak 1951 from aliabs.peaks (1.67, 3.86, 55.29 ppm; 3.56 A): 3 out of 12 assignments used, quality = 1.00: * HB2 MET 68 + HA MET 68 OK 100 100 - 100 - 3.0=100 HB VAL 71 + HA MET 68 OK 83 96 - 87 - 2.1/8439=32, 2.1/8438=29...(22) HG13 ILE 136 + HA MET 68 OK 55 98 - 57 - 2.3/8436=13, 2.1/8437=9...(26) HB2 LEU 95 - HA MET 68 OK 40 96 - 41 - 1958=4, ~8430=3...(23) HG3 ARG 141 - HA MET 68 OK 33 81 - 40 - 4806/3.0=5, 2.8/1952=4...(21) HG2 ARG 89 - HA MET 68 OK 14 96 - 15 - 1958=2, 2.8/1955=1 HD2 LYS 48 - HA MET 68 OK 13 96 - 14 - 1958=2, 1.8/1958=1 HD3 LYS 48 - HA MET 68 OK 13 100 - 13 - 1958=1, 1.8/1958=1 HB2 PRO 57 - HA MET 68 OK 11 68 - 16 - 2089/8439=2, 2085=1...(4) HD3 LYS 93 - HA MET 68 lone 9 94 - 10 - HB2 ARG 145 - HA MET 68 lone 7 100 - 7 - HG LEU 97 - HA MET 68 lone 5 77 - 6 - 2.1/8436=2 Peak 1952 from aliabs.peaks (1.82, 3.86, 55.29 ppm; 3.79 A): 5 out of 8 assignments used, quality = 1.00: * HB3 MET 68 + HA MET 68 OK 100 100 - 100 - 3.0=100 HB2 ARG 141 + HA MET 68 OK 57 100 - 57 - 1972/3.7=7, 1952=7...(28) HB3 LEU 72 + HA MET 68 OK 51 68 - 76 - 3.4/9918=13, 3.2/2142=9...(36) HB VAL 80 + HA MET 68 OK 46 96 - 48 - 2.1/8747=6, 1952=4...(24) HD3 LYS 36 + HA MET 68 OK 45 100 - 45 - 1952=6, 3.6/673=5...(21) HB2 MET 11 - HA MET 68 OK 43 96 - 44 - 21/3.7=5, 1952=5...(21) HB2 LYS 24 - HA MET 68 OK 17 94 - 18 - 1955=2, 1965/3.0=1...(7) HB2 ARG 124 - HA MET 68 OK 12 81 - 15 - 4208/3.0=1, 3.0/1958=1 Peak 1953 from aliabs.peaks (2.43, 3.86, 55.29 ppm; 4.34 A): 1 out of 8 assignments used, quality = 1.00: * HG2 MET 68 + HA MET 68 OK 100 100 - 100 - 3.7=100 HB3 PRO 33 - HA MET 68 OK 44 100 - 44 - 1980/3.7=11, 1963/3.0=8...(10) HG2 MET 11 - HA MET 68 OK 41 89 - 46 - 1963/3.0=6, 1987/3.7=6...(18) HG2 GLN 133 - HA MET 68 OK 29 85 - 34 - 1953=4, 1.8/1953=3...(17) HG3 GLN 133 - HA MET 68 OK 27 81 - 33 - 1953=4, 1.8/1953=3...(16) HG2 GLN 47 - HA MET 68 OK 24 96 - 24 - 1953=3, 1.8/1953=2...(11) HG3 GLN 47 - HA MET 68 OK 24 96 - 24 - 1953=3, 1.8/1953=2...(11) QE MET 46 - HA MET 68 OK 15 89 - 17 - 10486/4.9=2...(6) Peak 1954 from aliabs.peaks (2.54, 3.86, 55.29 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 68 + HA MET 68 OK 100 100 - 100 - 3.7=100 Peak 1955 from aliabs.peaks (1.91, 3.86, 55.29 ppm; 4.07 A): 1 out of 10 assignments used, quality = 0.98: * QE MET 68 + HA MET 68 OK 98 100 - 98 - 4.6=68, 1996/3.7=31...(26) HB3 LEU 69 - HA MET 68 OK 42 85 - 49 - 6689/3.6=9, 4.6/6702=6...(16) HB ILE 101 - HA MET 68 OK 27 81 - 33 - 2.1/8436=9, 3.2/8436=5...(10) HB2 PRO 118 - HA MET 68 OK 27 62 - 43 - ~6663=4, 2.3/3969=4...(18) HB2 ARG 140 - HA MET 68 OK 17 77 - 22 - 1965/3.0=3, 1989/3.7=2...(4) HB2 MET 59 - HA MET 68 OK 14 100 - 14 - 4.2/10402=4, 8514/8438=1 HB2 LYS 86 - HA MET 68 OK 13 94 - 13 - 6689/3.6=2, 2002/4.9=2...(6) HB3 ARG 89 - HA MET 68 OK 12 62 - 19 - 1955=2, 1965/3.0=2...(6) HG13 ILE 83 - HA MET 68 poor 9 68 - 14 - 1955=1, 6689/3.6=1, 1965/3.0=1 HG3 PRO 12 - HA MET 68 lone 8 92 - 8 - 1965/3.0=2, 1989/3.7=2 Peak 1956 from aliabs.peaks (8.63, 3.86, 55.29 ppm; 5.63 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 69 + HA MET 68 OK 100 100 - 100 - 3.6=100 H LEU 42 + HA MET 68 OK 70 98 - 71 - 1956=16, 1966/3.0=14...(12) Peak 1957 from aliabs.peaks (8.32, 3.86, 55.29 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.94: * H VAL 71 + HA MET 68 OK 94 100 - 94 - 3.9/8439=31, 4.0/8438=29...(23) Peak 1958 from aliabs.peaks (1.67, 3.86, 55.29 ppm; 3.56 A): 3 out of 13 assignments used, quality = 1.00: HB2 MET 68 + HA MET 68 OK 96 96 - 100 - 3.0=100 * HB VAL 71 + HA MET 68 OK 87 100 - 87 - 2.1/8439=32, 2.1/8438=29...(21) HG13 ILE 136 + HA MET 68 OK 56 100 - 56 - 2.3/8436=13, 2.1/8437=9...(26) HB2 LEU 95 - HA MET 68 OK 42 100 - 42 - 1958=5, 1985/3.7=3...(23) HB2 PRO 57 - HA MET 68 OK 16 92 - 18 - 2089/8439=2, 2085=2...(5) HG2 ARG 89 - HA MET 68 OK 15 100 - 15 - 1958=2, 2.8/1955=1 HD2 LYS 48 - HA MET 68 OK 15 100 - 14 - 1958=2, 1.8/1958=1 HG2 ARG 140 - HA MET 68 OK 14 81 - 17 - 1951=2, 2.9/1955=2, 11015/8436=1 HD3 LYS 48 - HA MET 68 OK 13 94 - 13 - 1958=1, 1.8/1958=1 HG2 ARG 124 - HA MET 68 OK 12 81 - 15 - 1958=2 HD3 LYS 93 - HA MET 68 lone 10 100 - 9 - HB2 ARG 145 - HA MET 68 lone 7 100 - 7 - HB2 LYS 114 - HA MET 68 lone 3 62 - 5 - Peak 1959 from aliabs.peaks (7.10, 1.67, 30.27 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H MET 68 + HB2 MET 68 OK 100 100 - 100 - 3.6=100 QE PHE 45 - HB2 MET 68 poor 8 68 - 12 - 1983/2.9=3, 1949/3.0=3...(5) Peak 1960 from aliabs.peaks (3.86, 1.67, 30.27 ppm; 4.08 A): 3 out of 5 assignments used, quality = 1.00: * HA MET 68 + HB2 MET 68 OK 100 100 - 100 - 3.0=100 HA LEU 72 + HB2 MET 68 OK 75 96 - 78 - 3.9/8430=10, 1984/2.9=9...(33) HD2 PRO 118 + HB2 MET 68 OK 52 98 - 53 - 6663/3.6=7, 1984/2.9=5...(28) HA LYS 36 - HB2 MET 68 OK 37 100 - 37 - 654/1.8=8, 1984/2.9=4...(14) HA ALA 104 - HB2 MET 68 OK 16 68 - 23 - 1954/2.9=2, 6671/3.6=2...(12) Peak 1961 from aliabs.peaks (1.67, 1.67, 30.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 68 + HB2 MET 68 OK 100 100 - 100 Peak 1962 from aliabs.peaks (1.82, 1.67, 30.27 ppm; 3.34 A): 5 out of 8 assignments used, quality = 1.00: * HB3 MET 68 + HB2 MET 68 OK 100 100 - 100 - 1.8=100 HB2 ARG 141 + HB2 MET 68 OK 58 100 - 58 - 1972/2.9=7, ~4788=4...(30) HB3 LEU 72 + HB2 MET 68 OK 53 68 - 79 - 3.2/8430=9, ~9912=8...(51) HB2 MET 11 + HB2 MET 68 OK 46 96 - 48 - 21/2.9=5, 1986/2.9=4...(28) HB VAL 80 + HB2 MET 68 OK 46 96 - 48 - 2.1/8430=9, ~2427=4...(24) HD3 LYS 36 - HB2 MET 68 OK 33 100 - 33 - 1952/3.0=3, ~690=2...(14) HB2 ARG 124 - HB2 MET 68 OK 14 81 - 17 - 1.8/4217=2, 4208=2, 3.0/4235=1 HB2 LYS 24 - HB2 MET 68 OK 12 94 - 13 - 1965=2, 1989/2.9=1...(4) Peak 1963 from aliabs.peaks (2.43, 1.67, 30.27 ppm; 3.87 A): 3 out of 8 assignments used, quality = 1.00: * HG2 MET 68 + HB2 MET 68 OK 100 100 - 100 - 2.9=100 HB3 PRO 33 + HB2 MET 68 OK 64 100 - 65 - 1980/2.9=11, 1971/1.8=6...(32) HG2 MET 11 + HB2 MET 68 OK 51 89 - 58 - 1987/2.9=6, ~37=5, ~37=5...(28) HG2 GLN 133 - HB2 MET 68 OK 20 85 - 23 - 4.0/9613=3, 1953/3.0=2...(9) HG3 GLN 133 - HB2 MET 68 OK 19 81 - 23 - 4.0/9613=3, 1953/3.0=2...(9) HG2 GLN 47 - HB2 MET 68 OK 17 96 - 17 - 1953/3.0=2, 1971/1.8=2...(8) HG3 GLN 47 - HB2 MET 68 OK 17 96 - 17 - 1953/3.0=2, 1971/1.8=2...(8) QE MET 46 - HB2 MET 68 lone 9 89 - 10 - 1953/3.0=1 Peak 1964 from aliabs.peaks (2.54, 1.67, 30.27 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 68 + HB2 MET 68 OK 100 100 - 100 - 2.9=100 Peak 1965 from aliabs.peaks (1.91, 1.67, 30.27 ppm; 3.61 A): 2 out of 10 assignments used, quality = 0.95: * QE MET 68 + HB2 MET 68 OK 92 100 - 92 - 4.2=64, 1996/2.9=31...(12) HB3 LEU 69 + HB2 MET 68 OK 36 85 - 43 - 4.0/1966=13, 1989/2.9=5...(13) HB2 PRO 118 - HB2 MET 68 OK 25 62 - 40 - 3.0/1960=4, 1.8/1963=4...(22) HB2 ARG 140 - HB2 MET 68 OK 17 77 - 23 - 4.7/7836=2, 1973/1.8=2...(6) HB ILE 101 - HB2 MET 68 OK 15 81 - 19 - ~8436=3, 1955/3.0=2...(8) HG3 PRO 12 - HB2 MET 68 OK 11 92 - 12 - ~8001=2, ~8014=2...(5) HB3 ARG 89 - HB2 MET 68 OK 10 62 - 16 - 1.8/2862=2, 1989/2.9=1...(6) HB2 LYS 86 - HB2 MET 68 lone 8 94 - 8 - 1989/2.9=1, 6689/4.4=1 HG13 ILE 83 - HB2 MET 68 lone 6 68 - 9 - HB2 MET 59 - HB2 MET 68 lone 6 100 - 6 - 1955/3.0=1 Peak 1966 from aliabs.peaks (8.63, 1.67, 30.27 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 69 + HB2 MET 68 OK 100 100 - 100 - 4.4=100 H LEU 42 + HB2 MET 68 OK 56 98 - 57 - 1990/2.9=14, 1956/3.0=13...(8) Peak 1967 from aliabs.peaks (7.10, 1.82, 30.27 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * H MET 68 + HB3 MET 68 OK 100 100 - 100 - 3.6=100 H MET 68 - HB2 ARG 141 OK 29 97 - 30 - 4.4/1972=7, 1967=6...(8) H MET 68 - HB VAL 80 OK 21 65 - 32 - 3.6/11234=5, 2.9/1952=4...(12) QE PHE 45 - HB3 MET 68 poor 8 68 - 12 - 1959/1.8=3, 1983/2.9=3...(5) QE PHE 45 - HB2 ARG 141 lone 1 62 - 2 - QE PHE 45 - HB VAL 80 lone 0 37 - 1 - Peak 1968 from aliabs.peaks (3.86, 1.82, 30.27 ppm; 3.93 A): 6 out of 15 assignments used, quality = 1.00: * HA MET 68 + HB3 MET 68 OK 100 100 - 100 - 3.0=100 HA LEU 72 + HB3 MET 68 OK 73 96 - 76 - 1960/1.8=10, 1984/2.9=8...(33) HA MET 68 + HB2 ARG 141 OK 58 97 - 60 - 1952=8, 3.7/1972=8...(28) HA LYS 36 + HB2 ARG 141 OK 54 97 - 56 - 654=11, 3.0/679=8...(20) HD2 PRO 118 + HB3 MET 68 OK 51 98 - 52 - 1960/1.8=7, 6663/3.6=6...(27) HA LYS 36 + HB3 MET 68 OK 48 100 - 48 - 654=9, 3.0/679=6...(14) HA MET 68 - HB VAL 80 OK 33 65 - 51 - 8747/2.1=6, 1952=6...(24) HA ALA 104 - HB3 MET 68 OK 15 68 - 22 - 1960/1.8=3, 1954/2.9=2...(11) HA ALA 104 - HB VAL 80 OK 11 37 - 30 - ~8760=15, 8747/2.1=4...(6) HA LYS 36 - HB VAL 80 poor 10 65 - 15 - 654=2, 3.8/701=2...(6) HD2 PRO 118 - HB VAL 80 poor 9 61 - 15 - ~8748=3, ~8746=2...(6) HA LEU 72 - HB2 ARG 141 lone 9 91 - 10 - 1984/1972=1 HA LEU 72 - HB VAL 80 poor 9 59 - 14 - 8747/2.1=2, 2107=2...(4) HA ALA 104 - HB2 ARG 141 poor 8 62 - 13 - ~9204=3, ~9204=2...(5) HD2 PRO 118 - HB2 ARG 141 lone 6 93 - 7 - Peak 1969 from aliabs.peaks (1.67, 1.82, 30.27 ppm; 2.97 A): 5 out of 36 assignments used, quality = 1.00: * HB2 MET 68 + HB3 MET 68 OK 100 100 - 100 - 1.8=100 HG3 ARG 141 + HB2 ARG 141 OK 76 76 - 100 - 2.8=100 HB VAL 71 + HB3 MET 68 OK 68 96 - 71 - ~8439=9, ~8438=8...(28) HB2 MET 68 + HB2 ARG 141 OK 48 97 - 50 - 1962=8, 2.9/1972=5...(25) HG13 ILE 136 + HB3 MET 68 OK 46 98 - 47 - 2.1/8429=5, ~8436=4...(28) HG LEU 97 - HB2 ARG 141 OK 41 71 - 58 - 4791/1.8=6, ~10132=5...(39) HB2 LEU 95 - HB3 MET 68 OK 41 96 - 43 - 3.1/8429=4, ~10095=4...(25) HG3 ARG 141 - HB3 MET 68 OK 34 81 - 42 - 4806=7, 1.8/4797=5...(19) HD3 LYS 48 - HB2 ARG 141 OK 31 97 - 32 - 4791/1.8=2, 3.0/701=2...(8) HD2 LYS 48 - HB2 ARG 141 OK 30 91 - 33 - 3.0/701=2, ~4791=2...(11) HB2 MET 68 - HB VAL 80 OK 26 65 - 41 - 8430/2.1=7, 1962=4...(21) HD3 LYS 93 - HB2 ARG 141 OK 26 89 - 29 - 3081/1.8=2, ~3070=2...(9) HG2 ARG 89 - HB3 MET 68 OK 11 96 - 11 - HD3 LYS 48 - HB3 MET 68 OK 11 100 - 10 - HG3 ARG 141 - HB VAL 80 OK 11 46 - 23 - 4806=3, 1.8/4797=2...(9) HB VAL 71 - HB VAL 80 OK 10 59 - 17 - ~8755=4, ~8505=3...(7) HD2 LYS 48 - HB3 MET 68 lone 10 96 - 10 - HG13 ILE 136 - HB VAL 80 poor 9 61 - 15 - ~4638=1, 4630/2.1=1...(5) HG2 ARG 89 - HB2 ARG 141 lone 8 91 - 9 - HD3 LYS 93 - HB3 MET 68 lone 6 94 - 6 - HB2 PRO 57 - HB3 MET 68 lone 5 68 - 8 - HG13 ILE 136 - HB2 ARG 141 lone 5 93 - 5 - 7836/4.0=1 HG LEU 97 - HB VAL 80 poor 5 43 - 11 - ~10110=2, ~8754=1 HB2 LEU 95 - HB VAL 80 lone 4 59 - 7 - HG LEU 97 - HB3 MET 68 lone 4 77 - 5 - HB2 ARG 145 - HB3 MET 68 lone 3 100 - 3 - HB VAL 71 - HB2 ARG 141 lone 3 91 - 3 - HD3 LYS 93 - HB VAL 80 lone 3 57 - 4 - ~8753=1 HB2 ARG 145 - HB2 ARG 141 lone 2 96 - 2 - HB2 PRO 57 - HB VAL 80 lone 2 37 - 6 - ~8753=1 HB2 LEU 95 - HB2 ARG 141 lone 2 91 - 2 - HD3 LYS 48 - HB VAL 80 lone 1 65 - 1 - HB2 ARG 145 - HB VAL 80 lone 1 64 - 1 - HB2 PRO 57 - HB2 ARG 141 lone 1 62 - 1 - HD2 LYS 48 - HB VAL 80 lone 1 59 - 1 - HG2 ARG 89 - HB VAL 80 lone 1 59 - 1 - Peak 1970 from aliabs.peaks (1.82, 1.82, 30.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 MET 68 + HB3 MET 68 OK 100 100 - 100 HB2 ARG 141 + HB2 ARG 141 OK 97 97 - 100 HB VAL 80 + HB VAL 80 OK 59 59 - 100 Peak 1971 from aliabs.peaks (2.43, 1.82, 30.27 ppm; 3.78 A): 4 out of 24 assignments used, quality = 1.00: * HG2 MET 68 + HB3 MET 68 OK 100 100 - 100 - 2.9=100 HB3 PRO 33 + HB3 MET 68 OK 64 100 - 64 - 1980/2.9=11, 1963/1.8=8...(32) HG2 MET 68 + HB2 ARG 141 OK 56 97 - 58 - 1.8/1972=11, 2.9/1962=6...(28) HG2 MET 11 + HB3 MET 68 OK 51 89 - 58 - 1.8/37=7, 1963/1.8=6...(28) HG2 MET 68 - HB VAL 80 OK 30 65 - 46 - 8428/2.1=6, 1.8/1972=6...(21) HG2 GLN 133 - HB3 MET 68 OK 18 85 - 21 - 1963/1.8=2, 1953/3.0=2...(9) HG3 GLN 133 - HB3 MET 68 OK 17 81 - 21 - 1963/1.8=2, 1953/3.0=2...(9) HG2 GLN 47 - HB3 MET 68 OK 17 96 - 17 - 1963/1.8=2, 1953/3.0=2...(8) HG3 GLN 47 - HB3 MET 68 OK 17 96 - 17 - 1963/1.8=2, 1953/3.0=2...(8) HG2 MET 11 - HB2 ARG 141 poor 9 83 - 11 - 1.8/37=1 HG2 MET 11 - HB VAL 80 poor 9 52 - 17 - 1.8/37=2, 31=2...(7) QE MET 46 - HB3 MET 68 lone 7 89 - 8 - 1953/3.0=1, 1963/1.8=1 HB3 PRO 33 - HB VAL 80 lone 6 64 - 10 - ~8752=1, ~8746=1 HB3 PRO 33 - HB2 ARG 141 lone 5 96 - 6 - 1980/1972=1 HG3 GLN 47 - HB2 ARG 141 lone 4 91 - 5 - HG2 GLN 47 - HB2 ARG 141 lone 4 91 - 5 - QE MET 46 - HB2 ARG 141 lone 3 83 - 4 - HG2 GLN 133 - HB VAL 80 lone 3 49 - 6 - 8185/2.1=2, ~8185=1 HG3 GLN 133 - HB VAL 80 lone 3 46 - 6 - 8185/2.1=2, ~8185=1 HG2 GLN 133 - HB2 ARG 141 lone 2 80 - 2 - QE MET 46 - HB VAL 80 lone 2 52 - 4 - 10493/2.1=2 HG3 GLN 133 - HB2 ARG 141 lone 2 76 - 2 - HG2 GLN 47 - HB VAL 80 lone 1 59 - 2 - HG3 GLN 47 - HB VAL 80 lone 1 59 - 2 - Peak 1972 from aliabs.peaks (2.54, 1.82, 30.27 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: * HG3 MET 68 + HB3 MET 68 OK 100 100 - 100 - 2.9=100 HG3 MET 68 + HB2 ARG 141 OK 55 97 - 57 - 1986=8, 2.9/1962=6...(28) HG3 MET 68 - HB VAL 80 OK 30 65 - 46 - 1986=5, ~8430=4...(21) Peak 1973 from aliabs.peaks (1.91, 1.82, 30.27 ppm; 2.50 A): 6 out of 30 assignments used, quality = 0.83: * QE MET 68 + HB3 MET 68 OK 56 100 - 56 - 1994=22, 1996/2.9=15...(8) HB2 ARG 140 + HB2 ARG 141 OK 32 71 - 45 - 1.8/4788=4, 4.7/7841=4...(22) QE MET 68 + HB2 ARG 141 OK 15 97 - 16 - 1994=5, 3.3/1972=3...(5) HB3 LEU 69 + HB3 MET 68 OK 15 85 - 17 - 4.0/6686=4, 1965/1.8=3...(7) HB2 PRO 118 + HB3 MET 68 OK 11 62 - 18 - 1965/1.8=2, 1989/2.9=1...(7) HG13 ILE 83 + HB VAL 80 OK 10 37 - 28 - ~9984=4, ~9946=3...(14) QE MET 68 - HB VAL 80 poor 7 65 - 11 - 1994=3, 3.3/1972=2...(4) HB2 ARG 140 - HB3 MET 68 lone 7 77 - 9 - 1965/1.8=1, 4.7/7841=1 HB ILE 101 - HB3 MET 68 lone 7 81 - 8 - ~8436=1, 1965/1.8=1, 1955/3.0=1 HG3 PRO 12 - HB3 MET 68 lone 4 92 - 5 - HB3 ARG 89 - HB3 MET 68 lone 4 62 - 6 - HB2 LYS 86 - HB3 MET 68 lone 3 94 - 3 - HB3 LEU 69 - HB VAL 80 lone 3 49 - 5 - HB3 ARG 89 - HB2 ARG 141 lone 3 57 - 4 - HB2 MET 59 - HB3 MET 68 lone 2 100 - 2 - HG13 ILE 83 - HB3 MET 68 lone 2 68 - 3 - HB ILE 101 - HB VAL 80 lone 2 46 - 5 - HB3 LEU 69 - HB2 ARG 141 lone 2 80 - 2 - HB2 ARG 140 - HB VAL 80 lone 2 43 - 4 - HB ILE 101 - HB2 ARG 141 lone 1 76 - 2 - HB2 PRO 118 - HB VAL 80 lone 1 34 - 4 - HG3 PRO 12 - HB VAL 80 lone 1 55 - 2 - HB2 PRO 118 - HB2 ARG 141 lone 1 57 - 2 - HB2 LYS 86 - HB VAL 80 lone 1 57 - 2 - HB2 MET 59 - HB VAL 80 lone 1 64 - 1 - HG3 PRO 12 - HB2 ARG 141 lone 1 86 - 1 - HB2 LYS 86 - HB2 ARG 141 lone 1 89 - 1 - HB2 MET 59 - HB2 ARG 141 lone 0 96 - 0 - HG13 ILE 83 - HB2 ARG 141 lone 0 62 - 1 - HB3 ARG 89 - HB VAL 80 lone 0 34 - 1 - Peak 1974 from aliabs.peaks (8.63, 1.82, 30.27 ppm; 5.66 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 69 + HB3 MET 68 OK 100 100 - 100 - 4.4=100 H LEU 42 + HB3 MET 68 OK 60 98 - 61 - 1966/1.8=16, 1990/2.9=15...(6) H LEU 69 - HB2 ARG 141 OK 32 97 - 33 - 4.4/1962=8, 4.3/1967=7...(7) H LEU 69 - HB VAL 80 OK 25 65 - 38 - ~10963=6, 3.6/1952=6...(11) H LEU 42 - HB2 ARG 141 lone 8 93 - 8 - 1990/1972=2, 1966/1962=1...(4) H LEU 42 - HB VAL 80 poor 8 61 - 13 - 6304/3.0=5, 6660/11234=1 Peak 1975 from aliabs.peaks (7.10, 2.43, 31.81 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.95: * H MET 68 + HG2 MET 68 OK 95 100 - 95 - 4.4=75, 1983/1.8=35...(18) H MET 68 - HB3 PRO 33 OK 34 98 - 35 - 4.4/1980=8, 6674=7...(9) H MET 68 - HG2 MET 11 OK 18 62 - 29 - 3.6/1963=5, 6674=4...(11) QE PHE 45 - HG2 MET 68 poor 9 68 - 13 - 1983/1.8=3, 1991/3.3=2...(5) QE PHE 45 - HB3 PRO 33 lone 2 63 - 3 - QE PHE 45 - HG2 MET 11 lone 1 34 - 2 - Peak 1976 from aliabs.peaks (3.86, 2.43, 31.81 ppm; 4.20 A): 5 out of 15 assignments used, quality = 1.00: * HA MET 68 + HG2 MET 68 OK 100 100 - 100 - 3.7=100 HD2 PRO 118 + HB3 PRO 33 OK 82 94 - 88 - ~480=9, ~472=8...(46) HA LEU 72 + HG2 MET 68 OK 73 96 - 75 - 1984/1.8=12, 3.9/9952=11...(25) HA LYS 36 + HB3 PRO 33 OK 67 98 - 68 - ~10791=12, 10789/3.0=12...(28) HD2 PRO 118 + HG2 MET 68 OK 47 98 - 48 - 1984/1.8=7, 6663/4.4=6...(18) HA MET 68 - HB3 PRO 33 OK 42 98 - 43 - 3.7/1980=10, 3.0/1963=7...(10) HA LYS 36 - HG2 MET 68 OK 36 100 - 36 - 654/2.9=6, 1984/1.8=5...(10) HA MET 68 - HG2 MET 11 OK 28 62 - 45 - 1953=6, 3.0/1963=6...(18) HA LEU 72 - HG2 MET 11 OK 15 56 - 26 - 2114/3.0=3, 2107/3.0=3...(12) HA ALA 104 - HG2 MET 68 OK 14 68 - 21 - 1954/1.8=3, 1992/3.3=3...(9) HA LEU 72 - HB3 PRO 33 OK 11 92 - 12 - 1984/1980=1, 3.8/9944=1 HA LYS 36 - HG2 MET 11 poor 7 62 - 12 - ~11711=2, 654/3.0=2, ~6208=1 HA ALA 104 - HG2 MET 11 poor 5 34 - 15 - ~9202=7, ~9200=2...(4) HD2 PRO 118 - HG2 MET 11 lone 3 57 - 5 - HA ALA 104 - HB3 PRO 33 lone 2 63 - 4 - Peak 1977 from aliabs.peaks (1.67, 2.43, 31.81 ppm; 3.48 A): 6 out of 36 assignments used, quality = 1.00: * HB2 MET 68 + HG2 MET 68 OK 100 100 - 100 - 2.9=100 HB VAL 71 + HG2 MET 68 OK 81 96 - 84 - ~8435=13, ~8426=12...(27) HB2 MET 68 + HB3 PRO 33 OK 56 98 - 57 - 2.9/1980=9, 1963=8...(29) HB2 LEU 95 + HG2 MET 68 OK 55 96 - 58 - 3.0/10942=11...(24) HG13 ILE 136 + HG2 MET 68 OK 52 98 - 53 - 2.1/8428=7, ~8427=7...(26) HB2 PRO 57 + HB3 PRO 33 OK 45 63 - 72 - 2.3/458=8, 11514/2.3=7...(30) HG3 ARG 141 - HG2 MET 68 OK 39 81 - 48 - ~1972=5, 4806/2.9=5...(22) HB2 MET 68 - HG2 MET 11 OK 31 62 - 51 - 1963=6, 2.9/1987=5...(25) HG2 ARG 89 - HG2 MET 68 OK 13 96 - 13 - 1985/1.8=1 HD3 LYS 48 - HG2 MET 68 OK 12 100 - 12 - 1985/1.8=1 HD2 LYS 48 - HG2 MET 68 OK 12 96 - 12 - 1985/1.8=1 HG LEU 97 - HG2 MET 11 OK 11 40 - 28 - ~9127=10, ~9127=6...(8) HB VAL 71 - HB3 PRO 33 poor 10 92 - 11 - 2.1/9913=3, ~9894=2...(4) HD3 LYS 93 - HG2 MET 68 lone 8 94 - 8 - HB2 PRO 57 - HG2 MET 68 poor 7 68 - 11 - HG13 ILE 136 - HB3 PRO 33 lone 7 94 - 7 - ~9667=1, 2.1/8428=1 HB2 LEU 95 - HB3 PRO 33 lone 4 92 - 4 - 3.0/10942=1, 3.1/9076=1 HB2 ARG 145 - HG2 MET 68 lone 4 100 - 4 - HG LEU 97 - HG2 MET 68 lone 3 77 - 4 - HG3 ARG 141 - HG2 MET 11 lone 3 43 - 7 - HG13 ILE 136 - HG2 MET 11 lone 3 57 - 5 - HD3 LYS 93 - HB3 PRO 33 lone 3 90 - 3 - HB VAL 71 - HG2 MET 11 lone 2 56 - 4 - HD3 LYS 48 - HG2 MET 11 lone 2 61 - 3 - ~10599=1 HD2 LYS 48 - HG2 MET 11 lone 2 56 - 3 - ~10599=1 HG3 ARG 141 - HB3 PRO 33 lone 2 77 - 2 - HD3 LYS 48 - HB3 PRO 33 lone 2 98 - 2 - HB2 LEU 95 - HG2 MET 11 lone 1 56 - 3 - HD2 LYS 48 - HB3 PRO 33 lone 1 92 - 1 - HB2 PRO 57 - HG2 MET 11 lone 1 34 - 3 - HG2 ARG 89 - HB3 PRO 33 lone 1 92 - 1 - HB2 ARG 145 - HB3 PRO 33 lone 1 96 - 1 - HD3 LYS 93 - HG2 MET 11 lone 1 54 - 1 - HG LEU 97 - HB3 PRO 33 lone 0 72 - 1 - HG2 ARG 89 - HG2 MET 11 lone 0 56 - 1 - HB2 ARG 145 - HG2 MET 11 lone 0 60 - 1 - Peak 1978 from aliabs.peaks (1.82, 2.43, 31.81 ppm; 2.97 A): 3 out of 24 assignments used, quality = 1.00: * HB3 MET 68 + HG2 MET 68 OK 100 100 - 100 - 2.9=100 HB2 MET 11 + HG2 MET 11 OK 55 56 - 100 - 3.0=98, ~38=12, ~28=10...(26) HB3 LEU 72 + HG2 MET 68 OK 45 68 - 67 - ~9912=9, ~9945=7...(35) HB2 MET 11 - HB3 PRO 33 OK 43 92 - 47 - 21=7, 1.8/27=6, 3.0/39=5...(26) HB3 MET 68 - HB3 PRO 33 OK 43 98 - 44 - 2.9/1980=7, 1.8/1963=5...(24) HB2 MET 11 - HG2 MET 68 OK 38 96 - 40 - 21=5, 1.8/27=5...(19) HB2 ARG 141 - HG2 MET 68 OK 38 100 - 38 - 1972/1.8=7, 1962/2.9=4...(19) HB VAL 80 - HG2 MET 68 OK 29 96 - 30 - 2.1/8428=4, 1972/1.8=4...(15) HD3 LYS 36 - HB3 PRO 33 OK 28 98 - 29 - 719/2.3=4, 719/2.3=4...(13) HB2 LYS 24 - HB3 PRO 33 OK 27 90 - 31 - 3.0/10894=4, 10877/3.0=4...(15) HB3 MET 68 - HG2 MET 11 OK 24 62 - 38 - 37/1.8=5, 2.9/1987=4...(19) HD3 LYS 36 - HG2 MET 68 OK 19 100 - 19 - 1986/1.8=2, 1962/2.9=2...(6) HB2 ARG 124 - HG2 MET 11 OK 18 43 - 41 - 37/1.8=5, 25/3.0=5...(20) HB2 LYS 24 - HG2 MET 68 poor 10 94 - 10 - 1989/1.8=1, 1981=1 HB2 ARG 124 - HG2 MET 68 lone 8 81 - 10 - HB3 LEU 72 - HG2 MET 11 poor 6 34 - 18 - 37/1.8=2, 3.2/9952=2...(5) HD3 LYS 36 - HG2 MET 11 lone 6 61 - 9 - 37/1.8=1, ~9762=1, 43/3.3=1 HB VAL 80 - HB3 PRO 33 lone 5 92 - 6 - HB VAL 80 - HG2 MET 11 lone 5 56 - 9 - 37/1.8=2 HB2 LYS 24 - HG2 MET 11 lone 5 54 - 8 - 37/1.8=1, 43/3.3=1 HB2 ARG 124 - HB3 PRO 33 lone 4 77 - 6 - HB2 ARG 141 - HG2 MET 11 lone 4 61 - 6 - HB3 LEU 72 - HB3 PRO 33 lone 3 63 - 5 - HB2 ARG 141 - HB3 PRO 33 lone 3 98 - 3 - Peak 1979 from aliabs.peaks (2.43, 2.43, 31.81 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 MET 68 + HG2 MET 68 OK 100 100 - 100 HB3 PRO 33 + HB3 PRO 33 OK 96 96 - 100 HG2 MET 11 + HG2 MET 11 OK 49 49 - 100 Peak 1980 from aliabs.peaks (2.54, 2.43, 31.81 ppm; 2.78 A): 2 out of 3 assignments used, quality = 1.00: * HG3 MET 68 + HG2 MET 68 OK 100 100 - 100 - 1.8=100 HG3 MET 68 + HB3 PRO 33 OK 48 98 - 50 - 1987=11, 2.9/1963=3...(28) HG3 MET 68 - HG2 MET 11 OK 23 62 - 38 - 1987=7, ~39=3, ~39=3...(18) Peak 1981 from aliabs.peaks (1.91, 2.43, 31.81 ppm; 3.20 A): 1 out of 30 assignments used, quality = 0.97: * QE MET 68 + HG2 MET 68 OK 97 100 - 97 - 3.3=90, 1996/1.8=35...(15) QE MET 68 - HB3 PRO 33 OK 43 98 - 44 - 1995=9, 3.3/1980=7...(22) HG3 PRO 12 - HG2 MET 11 OK 39 51 - 76 - ~8015=11, ~8012=9...(21) HB2 PRO 118 - HB3 PRO 33 OK 36 58 - 62 - ~3975=4, 2.3/462=3...(43) HB3 LEU 69 - HG2 MET 68 OK 31 85 - 37 - 1989/1.8=5, 4.0/1982=5...(15) QE MET 68 - HG2 MET 11 OK 19 62 - 31 - 1995=5, 3.3/1987=4...(12) HB2 PRO 118 - HG2 MET 68 OK 19 62 - 30 - 1989/1.8=3, 1965/2.9=2...(15) HB ILE 101 - HB3 PRO 33 OK 18 77 - 23 - ~9792=4, 10534/1.8=3...(11) HB2 ARG 140 - HG2 MET 68 OK 11 77 - 14 - 1989/1.8=2, 1965/2.9=2 HG3 PRO 12 - HG2 MET 68 poor 10 92 - 11 - 1.8/10666=2, 2.3/8001=2...(4) HB2 LYS 86 - HG2 MET 68 poor 10 94 - 10 - 1989/1.8=1 HB ILE 101 - HG2 MET 68 poor 9 81 - 11 - 1955/3.7=2, 1965/2.9=1...(4) HB2 MET 59 - HG2 MET 11 poor 7 60 - 12 - 1605/1.8=2, 1607/3.3=1, ~1613=1 HB3 ARG 89 - HG2 MET 68 poor 6 62 - 10 - 1989/1.8=1, 1965/2.9=1 HB2 MET 59 - HG2 MET 68 lone 6 100 - 6 - 1989/1.8=1 HG13 ILE 83 - HG2 MET 68 lone 5 68 - 8 - HB ILE 101 - HG2 MET 11 poor 5 43 - 11 - ~9181=3, ~9186=2, ~9186=1 HB3 LEU 69 - HB3 PRO 33 lone 4 80 - 5 - 4.0/1982=1 HG3 PRO 12 - HB3 PRO 33 lone 4 87 - 4 - 1.8/10666=1 HB2 LYS 86 - HB3 PRO 33 lone 3 90 - 3 - HG13 ILE 83 - HB3 PRO 33 lone 2 63 - 3 - 2537/4.3=1 HB2 LYS 86 - HG2 MET 11 lone 2 54 - 3 - HB2 ARG 140 - HB3 PRO 33 lone 1 72 - 2 - HB2 MET 59 - HB3 PRO 33 lone 1 96 - 1 - HB3 LEU 69 - HG2 MET 11 lone 1 46 - 3 - HB2 ARG 140 - HG2 MET 11 lone 1 40 - 3 - 10374/3.9=1 HB2 PRO 118 - HG2 MET 11 lone 1 31 - 3 - HB3 ARG 89 - HB3 PRO 33 lone 1 58 - 1 - HG13 ILE 83 - HG2 MET 11 lone 0 34 - 1 - HB3 ARG 89 - HG2 MET 11 lone 0 31 - 1 - Peak 1982 from aliabs.peaks (8.63, 2.43, 31.81 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.99: * H LEU 69 + HG2 MET 68 OK 95 100 - 95 - 6688/1.8=39, 6677/4.4=36...(21) H LEU 42 + HG2 MET 68 OK 66 98 - 68 - 1990/1.8=19, 1998/3.3=18...(8) H LEU 69 + HB3 PRO 33 OK 46 98 - 47 - 4.4/1963=10, 4.3/1975=10...(9) H LEU 69 - HG2 MET 11 OK 23 62 - 38 - 4.4/1963=8, 3.6/1953=7...(10) H LEU 42 - HB3 PRO 33 OK 13 94 - 14 - 1990/1980=3, 1998/1995=2...(6) H LEU 42 - HG2 MET 11 lone 5 57 - 9 - 1966/1963=1, 1990/1987=1...(4) Peak 1983 from aliabs.peaks (7.10, 2.54, 31.81 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.94: * H MET 68 + HG3 MET 68 OK 94 100 - 94 - 4.4=71, 1991/3.3=24...(17) QE PHE 45 - HG3 MET 68 poor 8 68 - 12 - 1991/3.3=2, 1959/2.9=2...(6) Peak 1984 from aliabs.peaks (3.86, 2.54, 31.81 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: * HA MET 68 + HG3 MET 68 OK 100 100 - 100 - 3.7=100 HA LEU 72 + HG3 MET 68 OK 72 96 - 74 - 3.8/9912=23, 1992/3.3=8...(28) HD2 PRO 118 - HG3 MET 68 OK 44 98 - 45 - 1960/2.9=5, 6663/4.4=5...(16) HA LYS 36 - HG3 MET 68 OK 32 100 - 32 - 654/2.9=5, 1960/2.9=4...(11) HA ALA 104 - HG3 MET 68 OK 14 68 - 21 - 1954=3, 2150/9912=2...(9) Peak 1985 from aliabs.peaks (1.67, 2.54, 31.81 ppm; 3.31 A): 4 out of 12 assignments used, quality = 1.00: * HB2 MET 68 + HG3 MET 68 OK 100 100 - 100 - 2.9=100 HB VAL 71 + HG3 MET 68 OK 74 96 - 77 - 2.1/8435=13, ~8426=11...(26) HG13 ILE 136 + HG3 MET 68 OK 51 98 - 52 - 2.1/8427=10, 2.9/1989=4...(26) HB2 LEU 95 + HG3 MET 68 OK 50 96 - 52 - 3.1/10095=7, ~10942=7...(22) HG3 ARG 141 - HG3 MET 68 OK 34 81 - 42 - 2.8/1972=7, 4806/2.9=4...(21) HG2 ARG 89 - HG3 MET 68 OK 12 96 - 12 - 2.8/1989=1 HD3 LYS 48 - HG3 MET 68 lone 10 100 - 10 - HD2 LYS 48 - HG3 MET 68 lone 10 96 - 10 - HB2 PRO 57 - HG3 MET 68 poor 8 68 - 12 - 2089/8435=1 HD3 LYS 93 - HG3 MET 68 lone 7 94 - 7 - HB2 ARG 145 - HG3 MET 68 lone 3 100 - 3 - HG LEU 97 - HG3 MET 68 lone 3 77 - 4 - Peak 1986 from aliabs.peaks (1.82, 2.54, 31.81 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: * HB3 MET 68 + HG3 MET 68 OK 100 100 - 100 - 2.9=100 HB3 LEU 72 + HG3 MET 68 OK 50 68 - 74 - 3.1/9912=19, 3.2/8427=7...(42) HB2 ARG 141 + HG3 MET 68 OK 46 100 - 46 - 1972=9, 1962/2.9=5...(22) HB2 MET 11 - HG3 MET 68 OK 45 96 - 47 - 21/1.8=6, 3.0/1987=4...(24) HB VAL 80 - HG3 MET 68 OK 35 96 - 36 - 1972=5, 1962/2.9=3...(19) HD3 LYS 36 - HG3 MET 68 OK 22 100 - 22 - 1962/2.9=2, 1952/3.7=2...(12) HB2 LYS 24 - HG3 MET 68 OK 13 94 - 14 - 1989=2, 9910/9912=1...(5) HB2 ARG 124 - HG3 MET 68 poor 9 81 - 12 - 2152/9912=1, 4208/2.9=1 Peak 1987 from aliabs.peaks (2.43, 2.54, 31.81 ppm; 2.59 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 68 + HG3 MET 68 OK 100 100 - 100 - 1.8=100 HB3 PRO 33 + HG3 MET 68 OK 45 100 - 46 - 1980=12, 1963/2.9=3...(24) HG2 MET 11 - HG3 MET 68 OK 29 89 - 33 - 1980=5, ~39=2, ~39=2...(15) HG2 GLN 133 - HG3 MET 68 lone 8 85 - 9 - HG3 GLN 133 - HG3 MET 68 lone 7 81 - 9 - HG2 GLN 47 - HG3 MET 68 lone 7 96 - 7 - HG3 GLN 47 - HG3 MET 68 lone 7 96 - 7 - QE MET 46 - HG3 MET 68 lone 4 89 - 4 - Peak 1988 from aliabs.peaks (2.54, 2.54, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 68 + HG3 MET 68 OK 100 100 - 100 Peak 1989 from aliabs.peaks (1.91, 2.54, 31.81 ppm; 3.34 A): 1 out of 10 assignments used, quality = 1.00: * QE MET 68 + HG3 MET 68 OK 100 100 - 100 - 3.3=100 HB3 LEU 69 - HG3 MET 68 OK 36 85 - 43 - 4.0/1990=8, 3.2/9914=4...(20) HB2 PRO 118 - HG3 MET 68 OK 22 62 - 35 - 3.0/1984=4, 1.8/1987=3...(18) HB2 ARG 140 - HG3 MET 68 OK 12 77 - 15 - 1965/2.9=2, 1973/2.9=1...(4) HG3 PRO 12 - HG3 MET 68 OK 12 92 - 13 - ~8001=2, ~10666=2...(4) HB2 LYS 86 - HG3 MET 68 poor 10 94 - 10 - HB ILE 101 - HG3 MET 68 poor 10 81 - 12 - 1955/3.7=2, 1965/2.9=2...(4) HB3 ARG 89 - HG3 MET 68 poor 7 62 - 12 - 1965/2.9=1 HB2 MET 59 - HG3 MET 68 lone 7 100 - 7 - HG13 ILE 83 - HG3 MET 68 lone 6 68 - 9 - Peak 1990 from aliabs.peaks (8.63, 2.54, 31.81 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 69 + HG3 MET 68 OK 88 100 - 88 - 4.3/1983=29, 1966/2.9=28...(20) H LEU 42 + HG3 MET 68 OK 49 98 - 51 - 1998/3.3=12, 1966/2.9=12...(7) Peak 1991 from aliabs.peaks (7.10, 1.91, 15.03 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.89: * H MET 68 + QE MET 68 OK 89 100 - 89 - 5.9=32, 1983/3.3=26...(18) QE PHE 45 - QE MET 68 poor 8 68 - 12 - 1983/3.3=2, 1949/4.6=2...(5) Peak 1992 from aliabs.peaks (3.86, 1.91, 15.03 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.98: * HA MET 68 + QE MET 68 OK 93 100 - 93 - 4.6=49, 3.7/1996=25...(23) HA LEU 72 + QE MET 68 OK 68 96 - 71 - 2.9/8454=20, 3.8/8424=12...(22) HD2 PRO 118 - QE MET 68 OK 32 98 - 33 - 1984/3.3=4, 1960/4.2=3...(9) HA LYS 36 - QE MET 68 OK 21 100 - 21 - 6272/8454=4, 654/4.2=4...(5) HA ALA 104 - QE MET 68 OK 15 68 - 22 - 2.1/9199=5, 1954/3.3=2...(10) Peak 1993 from aliabs.peaks (1.67, 1.91, 15.03 ppm; 3.13 A): 3 out of 12 assignments used, quality = 0.97: * HB2 MET 68 + QE MET 68 OK 81 100 - 81 - 4.2=42, 2.9/1996=24...(12) HB VAL 71 + QE MET 68 OK 73 96 - 75 - 2.1/8426=28, 2.1/8425=23...(17) HG13 ILE 136 + QE MET 68 OK 38 98 - 39 - 2.1/8424=10, 1985/3.3=3...(17) HB2 LEU 95 - QE MET 68 OK 32 96 - 33 - 3.0/8420=5, ~10095=4...(13) HG3 ARG 141 - QE MET 68 OK 15 81 - 19 - 2.8/1994=4, 4806/4.2=2...(8) HG2 ARG 89 - QE MET 68 lone 9 96 - 9 - HD3 LYS 48 - QE MET 68 lone 7 100 - 7 - HD2 LYS 48 - QE MET 68 lone 7 96 - 7 - HB2 PRO 57 - QE MET 68 lone 7 68 - 10 - 2089/8426=2 HD3 LYS 93 - QE MET 68 lone 6 94 - 6 - HB2 ARG 145 - QE MET 68 lone 3 100 - 3 - HG LEU 97 - QE MET 68 lone 3 77 - 4 - 2.1/10108=1 Peak 1994 from aliabs.peaks (1.82, 1.91, 15.03 ppm; 2.98 A): 5 out of 8 assignments used, quality = 0.91: * HB3 MET 68 + QE MET 68 OK 73 100 - 73 - 4.2=36, 2.9/1996=22...(8) HB3 LEU 72 + QE MET 68 OK 39 68 - 58 - 3.4/8454=11, 3.1/8424=10...(22) HB2 MET 11 + QE MET 68 OK 23 96 - 24 - 21/3.3=4, 1986/3.3=3...(9) HB2 ARG 141 + QE MET 68 OK 19 100 - 19 - 1972/3.3=5, 1973=4...(7) HB VAL 80 + QE MET 68 OK 15 96 - 15 - 1972/3.3=3, 4.7/8419=2...(7) HD3 LYS 36 - QE MET 68 lone 9 100 - 9 - 1986/3.3=1, 1962/4.2=1...(4) HB2 LYS 24 - QE MET 68 lone 9 94 - 10 - HB2 ARG 124 - QE MET 68 lone 6 81 - 7 - Peak 1995 from aliabs.peaks (2.43, 1.91, 15.03 ppm; 3.58 A): 2 out of 8 assignments used, quality = 1.00: * HG2 MET 68 + QE MET 68 OK 100 100 - 100 - 3.3=100 HB3 PRO 33 + QE MET 68 OK 51 100 - 52 - 1980/3.3=9, 1981=5...(26) HG2 MET 11 - QE MET 68 OK 32 89 - 36 - 1987/3.3=5, 3.0/1994=4...(18) HG2 GLN 133 - QE MET 68 OK 15 85 - 18 - 3.5/8414=2, 4.0/1992=2...(7) HG3 GLN 133 - QE MET 68 OK 14 81 - 18 - 3.5/8414=2, 4.0/1992=2...(7) HG2 GLN 47 - QE MET 68 OK 13 96 - 14 - 3.6/10675=2, 1.8/10426=1...(6) HG3 GLN 47 - QE MET 68 OK 13 96 - 14 - 3.6/10675=2, 1.8/10426=1...(6) QE MET 46 - QE MET 68 lone 7 89 - 8 - Peak 1996 from aliabs.peaks (2.54, 1.91, 15.03 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 68 + QE MET 68 OK 100 100 - 100 - 3.3=100 Peak 1997 from aliabs.peaks (1.91, 1.91, 15.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 68 + QE MET 68 OK 100 100 - 100 Peak 1998 from aliabs.peaks (8.63, 1.91, 15.03 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 69 + QE MET 68 OK 88 100 - 88 - 4.3/1991=27, 1966/4.2=21...(22) H LEU 42 + QE MET 68 OK 50 98 - 51 - 1990/3.3=11, 1966/4.2=9...(11) Peak 1999 from aliabs.peaks (8.63, 4.01, 58.18 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 - 100 - 2.9=100 H LEU 42 + HA LEU 69 OK 59 98 - 60 - 2044/3.9=12, 2011/3.0=11...(13) H LEU 69 - HA GLU 122 OK 38 91 - 41 - 6690=7, 4.0/2006=5...(18) H LEU 42 - HA GLU 122 lone 6 87 - 6 - Peak 2000 from aliabs.peaks (4.01, 4.01, 58.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 HA GLU 122 + HA GLU 122 OK 88 88 - 100 Peak 2001 from aliabs.peaks (1.38, 4.01, 58.18 ppm; 3.98 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 - HA LEU 69 OK 45 94 - 48 - 3.0/2009=5, 2022/3.0=4...(23) HG LEU 132 - HA LEU 69 OK 41 96 - 42 - 2.1/10419=5, 6691/2.9=4...(17) HG LEU 132 - HA GLU 122 OK 36 84 - 43 - ~11037=13, ~11034=7...(13) HB2 ARG 109 - HA LEU 69 OK 34 96 - 35 - 11115/3.0=7, ~11118=5...(14) HB3 LEU 39 - HA LEU 69 OK 34 94 - 36 - 4.3/2007=4, 6691/2.9=4...(20) HB2 LEU 69 - HA GLU 122 OK 30 91 - 33 - 4.0/1999=4, 2012=4...(17) HB VAL 82 - HA LEU 69 OK 22 92 - 24 - 2038/4.1=2, 2046/3.9=2...(13) HG2 ARG 49 - HA GLU 122 OK 17 60 - 28 - ~4064=4, ~4072=4...(11) HG2 ARG 49 - HA LEU 69 OK 16 72 - 23 - 2022/3.0=2, 6691/2.9=2...(13) HB VAL 82 - HA GLU 122 poor 9 79 - 12 - 2479/3.0=2, ~2485=2...(5) HG2 LYS 86 - HA GLU 122 lone 4 82 - 4 - HB3 LEU 39 - HA GLU 122 lone 3 82 - 4 - HB2 ARG 109 - HA GLU 122 lone 2 84 - 3 - Peak 2002 from aliabs.peaks (1.90, 4.01, 58.18 ppm; 3.61 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.0=100 QE MET 68 + HA LEU 69 OK 47 85 - 55 - 1998/2.9=12, ~6688=6...(19) HB ILE 101 - HA LEU 69 OK 27 100 - 27 - 2.1/10963=4, 3.2/9179=3...(9) HB3 LEU 69 - HA GLU 122 OK 24 91 - 27 - 4.0/1999=3, 1.8/2012=3...(12) HB3 ARG 89 - HA LEU 69 OK 18 98 - 18 - 2039/4.1=2, 2031/3.7=2...(7) HB3 GLN 111 - HA LEU 69 OK 17 94 - 18 - 2047/3.9=2, 2039/4.1=2...(6) HB3 LYS 24 - HA LEU 69 OK 16 94 - 17 - 2009=3, 1.8/2009=2...(6) HB2 MET 59 - HA LEU 69 poor 10 94 - 10 - 4.2/10401=2 HB3 LYS 93 - HA LEU 69 poor 8 68 - 12 - 4.1/9038=3, 2039/4.1=1 HB3 ARG 140 - HA LEU 69 poor 7 72 - 10 - 2039/4.1=1, 4.0/9751=1...(4) HB ILE 101 - HA GLU 122 lone 6 91 - 7 - 3.2/9179=1 HB2 GLN 62 - HA GLU 122 lone 6 79 - 7 - HB3 LYS 93 - HA GLU 122 lone 5 56 - 8 - 4.1/9038=2 HB3 ARG 89 - HA GLU 122 lone 4 87 - 5 - HB2 GLN 62 - HA LEU 69 lone 4 92 - 4 - QE MET 68 - HA GLU 122 lone 4 72 - 5 - HB3 GLN 111 - HA GLU 122 lone 4 82 - 4 - HB3 LYS 24 - HA GLU 122 lone 2 82 - 3 - HB2 MET 59 - HA GLU 122 lone 2 82 - 3 - HB3 ARG 140 - HA GLU 122 lone 1 60 - 2 - Peak 2003 from aliabs.peaks (1.86, 4.01, 58.18 ppm; 3.76 A): 2 out of 18 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.7=100 HB3 LYS 76 + HA LEU 69 OK 46 100 - 46 - 2040/4.1=6, 2048/3.9=6...(13) HB3 LEU 126 - HA LEU 69 OK 38 100 - 38 - ~11377=6, ~11378=5...(14) HB3 LYS 85 - HA LEU 69 OK 17 96 - 17 - 2015/3.0=2, 2024/3.0=2...(8) HG LEU 69 - HA GLU 122 OK 16 91 - 18 - 2.1/2005=4, 2.1/2037=4...(5) HB2 LYS 48 - HA LEU 69 OK 12 89 - 13 - 6693/2.9=2, 2015/3.0=2...(6) HB3 GLU 28 - HA LEU 69 OK 12 100 - 12 - 2015/3.0=2, 2024/3.0=2...(6) HB3 LYS 76 - HA GLU 122 OK 12 91 - 13 - 3.0/2008=1, 3.0/4059=1...(4) HB3 LYS 85 - HA GLU 122 OK 10 84 - 12 - ~9460=4, 3.0/4059=1 HB2 LYS 36 - HA LEU 69 poor 8 62 - 13 - 6693/2.9=2, 2024/3.0=1...(7) HB3 LYS 48 - HA LEU 69 poor 7 62 - 11 - 2015/3.0=1, ~2015=1...(5) HB2 ARG 144 - HA LEU 69 lone 4 77 - 5 - HB3 LEU 126 - HA GLU 122 lone 3 91 - 4 - HB2 LYS 36 - HA GLU 122 lone 2 51 - 5 - HB2 LYS 48 - HA GLU 122 lone 2 76 - 2 - HB3 GLU 28 - HA GLU 122 lone 1 90 - 1 - HB3 LYS 48 - HA GLU 122 lone 1 51 - 2 - HB2 ARG 144 - HA GLU 122 lone 1 65 - 1 - Peak 2004 from aliabs.peaks (1.18, 4.01, 58.18 ppm; 3.58 A): 2 out of 12 assignments used, quality = 0.97: * QD1 LEU 69 + HA LEU 69 OK 92 100 - 92 - 4.1=65, 9923/3.6=18...(18) HB2 LEU 72 + HA LEU 69 OK 66 100 - 66 - 3.4/2007=13, 1.8/2009=10...(20) HG2 LYS 76 - HA LEU 69 OK 27 68 - 40 - 3.0/2003=5, 2049/3.9=5...(15) HB3 LEU 108 - HA LEU 69 OK 23 77 - 30 - 1.8/11533=7, 3.2/9257=4...(9) QD1 LEU 69 - HA GLU 122 OK 19 91 - 21 - 2037=4, 2.1/2005=3...(7) HG12 ILE 56 - HA LEU 69 OK 10 94 - 11 - ~10918=1, 2.1/10919=1...(5) HB2 LEU 72 - HA GLU 122 OK 10 90 - 11 - 3.4/2007=3, 1.8/2009=1 HG2 LYS 76 - HA GLU 122 poor 6 56 - 11 - 1.8/4059=2, 3.0/2003=1...(4) HG12 ILE 56 - HA GLU 122 lone 4 82 - 5 - 9456/3.9=1 QG2 THR 18 - HA LEU 69 lone 4 99 - 4 - HB3 LEU 108 - HA GLU 122 lone 3 65 - 4 - QG2 THR 18 - HA GLU 122 lone 2 88 - 3 - Peak 2005 from aliabs.peaks (1.02, 4.01, 58.18 ppm; 3.53 A): 2 out of 8 assignments used, quality = 0.95: * QD2 LEU 69 + HA LEU 69 OK 92 100 - 92 - 3.9=72, 6695/2.9=17...(14) QD1 LEU 116 + HA LEU 69 OK 35 68 - 52 - ~2017=6, ~6695=6...(15) QD2 LEU 116 - HA LEU 69 OK 33 68 - 49 - 6709/3.6=8, 6695/2.9=7...(13) QD2 LEU 69 - HA GLU 122 OK 17 91 - 19 - 2.1/2037=3, 2045=3...(7) QG2 VAL 53 - HA LEU 69 OK 13 92 - 14 - 2017/3.0=3, 2042/4.1=2...(5) QG2 VAL 53 - HA GLU 122 lone 3 79 - 4 - QD1 LEU 116 - HA GLU 122 lone 2 56 - 4 - QD2 LEU 116 - HA GLU 122 lone 2 56 - 4 - Peak 2006 from aliabs.peaks (7.51, 4.01, 58.18 ppm; 5.68 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 70 + HA LEU 69 OK 100 100 - 100 - 3.6=100 H TYR 70 - HA GLU 122 OK 32 91 - 35 - 4.0/1999=7, 6704=6...(9) Peak 2007 from aliabs.peaks (8.60, 4.01, 58.18 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.90: * H LEU 72 + HA LEU 69 OK 88 100 - 88 - 2007=25, 6716/3.6=17...(22) H LEU 72 + HA GLU 122 OK 18 91 - 20 - 2007=5, 3.0/6753=2...(6) Peak 2008 from aliabs.peaks (1.18, 4.01, 58.18 ppm; 3.58 A): 2 out of 12 assignments used, quality = 0.97: QD1 LEU 69 + HA LEU 69 OK 92 100 - 92 - 4.1=65, 9923/3.6=18...(18) * HB2 LEU 72 + HA LEU 69 OK 66 100 - 66 - 3.4/2007=13, 1.8/2009=10...(20) HB3 LEU 108 - HA LEU 69 OK 26 85 - 30 - 1.8/11533=7, 3.2/9257=4...(9) QD1 LEU 69 - HA GLU 122 OK 19 90 - 21 - 2037=4, 2.1/2005=3...(7) HG12 ILE 56 - HA LEU 69 OK 11 98 - 11 - ~10918=1, 2.1/10919=1...(5) HB2 LEU 72 - HA GLU 122 OK 10 91 - 11 - 3.4/2007=3, 1.8/2009=1 QD1 LEU 26 - HA LEU 69 lone 6 62 - 10 - 6708/3.6=1, 6694/2.9=1 HG12 ILE 56 - HA GLU 122 lone 5 87 - 5 - 9456/3.9=1 QG2 THR 18 - HA LEU 69 lone 4 100 - 4 - QD1 LEU 26 - HA GLU 122 lone 4 51 - 8 - ~9460=1 HB3 LEU 108 - HA GLU 122 lone 3 72 - 4 - QG2 THR 18 - HA GLU 122 lone 3 90 - 3 - Peak 2009 from aliabs.peaks (1.81, 4.01, 58.18 ppm; 3.91 A): 6 out of 22 assignments used, quality = 0.92: * HB3 LEU 72 + HA LEU 69 OK 67 100 - 67 - 3.4/2007=16, 1.8/2008=11...(20) HB3 MET 68 + HA LEU 69 OK 41 68 - 60 - ~1966=13, 6686/2.9=10...(20) HD3 LYS 86 + HA LEU 69 OK 37 92 - 41 - 2740/3.0=5, 2738/3.0=4...(20) HB2 LYS 24 + HA LEU 69 OK 17 94 - 18 - 1.8/2002=2, 2002=2...(5) HD3 LYS 34 + HA GLU 122 OK 15 79 - 18 - 2.9/4059=2, 541/3.0=1...(9) HG2 PRO 57 + HA GLU 122 OK 12 76 - 16 - 1.8/4059=2, 1533/3.0=2...(5) HB3 LEU 72 - HA GLU 122 poor 10 91 - 11 - 3.4/2007=3, 1.8/2008=2 HD2 LYS 34 - HA GLU 122 poor 9 51 - 17 - 2.9/4059=2, ~4075=1...(7) HB2 ARG 124 - HA LEU 69 lone 7 100 - 7 - HB2 MET 11 - HA LEU 69 lone 6 92 - 7 - 6686/2.9=1, 1952/4.9=1 HG2 PRO 57 - HA LEU 69 lone 5 89 - 6 - HD3 LYS 36 - HA LEU 69 lone 5 72 - 7 - 1952/4.9=1, 6686/2.9=1 HB2 MET 11 - HA GLU 122 lone 5 79 - 6 - HD3 LYS 34 - HA LEU 69 lone 4 92 - 4 - HB2 ARG 141 - HA LEU 69 lone 4 62 - 6 - 6686/2.9=2, 1952/4.9=2 HB3 MET 68 - HA GLU 122 lone 3 56 - 6 - 4.4/1999=3 HD3 LYS 86 - HA GLU 122 lone 3 79 - 3 - ~9460=1 HB2 LYS 24 - HA GLU 122 lone 3 82 - 3 - HD3 LYS 36 - HA GLU 122 lone 2 60 - 4 - HB2 ARG 124 - HA GLU 122 lone 2 89 - 2 - HD2 LYS 34 - HA LEU 69 lone 2 62 - 3 - HB2 ARG 141 - HA GLU 122 lone 1 51 - 2 - Peak 2010 from aliabs.peaks (3.84, 1.38, 41.39 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.99: * HA LEU 66 + HB2 LEU 69 OK 87 100 - 87 - 8393/4.6=34, 1879/4.0=33...(14) HB2 SER 100 + HB2 LEU 69 OK 65 96 - 67 - 2019/1.8=9, 8462/3.2=9...(18) HA GLN 133 + HB2 LEU 69 OK 51 99 - 52 - 10311=8, 2019/1.8=7...(14) HB2 SER 127 + HB2 LEU 69 OK 46 96 - 47 - 2019/1.8=7, 6702/4.6=6...(18) HA ALA 104 + HB2 LEU 69 OK 45 92 - 49 - 10203/4.6=8, ~9203=7...(11) Peak 2012 from aliabs.peaks (4.01, 1.38, 41.39 ppm; 6.80 A): 4 out of 10 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.0=100 HB3 SER 100 + HB2 LEU 69 OK 73 99 - 74 - ~8465=20, ~8462=14...(17) HA GLU 122 + HB2 LEU 69 OK 60 99 - 60 - 2006/4.6=9, 1999/4.0=9...(17) HA MET 113 + HB2 LEU 69 OK 45 85 - 53 - ~9315=13, 2045/3.2=7...(16) HB3 SER 138 - HB2 LEU 69 OK 42 85 - 49 - ~2021=5, 2021/1.8=5...(19) HB2 SER 138 - HB2 LEU 69 OK 40 81 - 48 - ~2021=5, 2021/1.8=5...(19) HA VAL 63 - HB2 LEU 69 OK 32 68 - 48 - ~9871=11, ~8356=9...(14) HB3 SER 127 - HB2 LEU 69 OK 32 77 - 41 - 1.8/2010=7, ~2019=6...(12) HA LYS 114 - HB2 LEU 69 OK 30 92 - 32 - 2045/3.2=4, 2021/1.8=3...(14) HB2 SER 103 - HB2 LEU 69 OK 14 99 - 14 - 10154/1.8=4, 2037/3.2=1...(5) Peak 2013 from aliabs.peaks (1.38, 1.38, 41.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 Peak 2014 from aliabs.peaks (1.90, 1.38, 41.39 ppm; 6.80 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 1.8=100 QE MET 68 + HB2 LEU 69 OK 63 85 - 74 - 1998/4.0=24, 8423/3.2=11...(18) HB ILE 101 + HB2 LEU 69 OK 62 100 - 62 - ~9179=6, ~9933=5...(26) HB3 ARG 89 + HB2 LEU 69 OK 48 98 - 49 - ~8947=9, ~9893=6...(18) HB3 GLN 111 - HB2 LEU 69 OK 44 94 - 46 - 2047/3.2=6, ~3607=5...(19) HB3 LYS 24 - HB2 LEU 69 OK 33 94 - 34 - 2009/3.0=3, ~2009=3...(16) HB3 ARG 140 - HB2 LEU 69 OK 27 72 - 37 - ~9929=6, ~8463=6...(10) HB3 LYS 93 - HB2 LEU 69 OK 24 68 - 35 - ~9933=7, ~9893=3...(12) HB2 MET 59 - HB2 LEU 69 OK 22 94 - 23 - ~1611=3, ~1595=2...(10) HB2 GLN 62 - HB2 LEU 69 OK 10 92 - 11 - 8347/4514=1, ~1750=1 Peak 2015 from aliabs.peaks (1.86, 1.38, 41.39 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HB2 LEU 69 OK 95 100 - 95 - 2266/3.2=15, 3.0/2016=14...(39) HB3 LEU 126 + HB2 LEU 69 OK 95 100 - 95 - 3.1/11378=26, ~11377=24...(26) HB3 LYS 85 + HB2 LEU 69 OK 47 96 - 49 - 4.6/6982=5, 2024/1.8=5...(19) HB3 GLU 28 + HB2 LEU 69 OK 46 100 - 46 - ~314=6, ~314=5, ~307=5...(14) HB2 LYS 48 - HB2 LEU 69 OK 33 89 - 36 - 2024/1.8=3, 6707/4.6=3...(15) HB3 LYS 48 - HB2 LEU 69 OK 23 62 - 36 - ~2024=3, ~2024=3...(15) HB2 LYS 36 - HB2 LEU 69 OK 22 62 - 35 - ~9892=9, 3.0/660=5...(13) HB2 ARG 144 - HB2 LEU 69 OK 12 77 - 15 - 2040/3.2=2, ~10519=1...(6) Peak 2016 from aliabs.peaks (1.18, 1.38, 41.39 ppm; 5.39 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.2=100 HB2 LEU 72 + HB2 LEU 69 OK 95 100 - 95 - ~2007=17, 2025/1.8=13...(39) HB3 LEU 108 + HB2 LEU 69 OK 66 77 - 85 - ~8477=26, ~10224=19...(26) HG2 LYS 76 + HB2 LEU 69 OK 61 68 - 90 - 3.0/2015=11, 2033/3.0=10...(37) HG12 ILE 56 - HB2 LEU 69 OK 28 94 - 29 - ~10917=4, ~10918=4...(11) QG2 THR 18 - HB2 LEU 69 lone 9 99 - 9 - 1844/10625=1, 2025/1.8=1...(4) Peak 2017 from aliabs.peaks (1.02, 1.38, 41.39 ppm; 4.88 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.2=100 QD1 LEU 116 + HB2 LEU 69 OK 59 68 - 88 - ~2026=15, 10228/3.2=13...(27) QD2 LEU 116 + HB2 LEU 69 OK 59 68 - 88 - ~10228=15, ~10296=14...(26) QG2 VAL 53 - HB2 LEU 69 OK 41 92 - 44 - ~9892=10, 2026/1.8=6...(12) Peak 2019 from aliabs.peaks (3.84, 1.90, 41.39 ppm; 6.80 A): 5 out of 5 assignments used, quality = 1.00: * HA LEU 66 + HB3 LEU 69 OK 90 100 - 90 - 8393/4.6=34, 1879/4.0=33...(20) HB2 SER 100 + HB3 LEU 69 OK 66 96 - 68 - 2010/1.8=9, 8462/3.2=9...(19) HA GLN 133 + HB3 LEU 69 OK 51 99 - 52 - 10311/1.8=8, 6699/4.6=6...(15) HB2 SER 127 + HB3 LEU 69 OK 48 96 - 50 - 2010/1.8=7, 6702/4.6=6...(19) HA ALA 104 + HB3 LEU 69 OK 46 92 - 50 - 10203/4.6=8, ~9203=7...(12) Peak 2020 from aliabs.peaks (8.63, 1.90, 41.39 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 4.0=100 H LEU 42 + HB3 LEU 69 OK 74 98 - 75 - 10733/3.2=22...(16) Peak 2021 from aliabs.peaks (4.01, 1.90, 41.39 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.0=100 HB3 SER 100 + HB3 LEU 69 OK 75 99 - 76 - ~8465=20, ~8462=14...(18) HA GLU 122 + HB3 LEU 69 OK 60 99 - 61 - 2006/4.6=9, 1999/4.0=9...(17) HA MET 113 - HB3 LEU 69 OK 44 85 - 51 - ~9315=13, 2045/3.2=7...(13) HB3 SER 138 - HB3 LEU 69 OK 42 85 - 49 - ~2012=5, 2012/1.8=4...(21) HB2 SER 138 - HB3 LEU 69 OK 40 81 - 49 - ~2012=5, 2012/1.8=4...(21) HB3 SER 127 - HB3 LEU 69 OK 33 77 - 43 - 1.8/2019=7, ~2010=6...(12) HA VAL 63 - HB3 LEU 69 OK 33 68 - 49 - ~9871=11, ~8356=9...(14) HA LYS 114 - HB3 LEU 69 OK 31 92 - 33 - 2045/3.2=4, 2012/1.8=3...(15) HB2 SER 103 - HB3 LEU 69 OK 15 99 - 15 - 10154=3, 2012/1.8=1...(6) Peak 2022 from aliabs.peaks (1.38, 1.90, 41.39 ppm; 6.80 A): 6 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 1.8=100 HG2 LYS 86 + HB3 LEU 69 OK 79 94 - 84 - ~2685=8, ~2696=8...(32) HG LEU 132 + HB3 LEU 69 OK 74 96 - 77 - ~8474=20, ~4514=8...(22) HB2 ARG 109 + HB3 LEU 69 OK 71 96 - 74 - ~10176=15, 11115=14...(20) HB3 LEU 39 + HB3 LEU 69 OK 62 94 - 66 - ~8461=8, 6705/4.6=7...(20) HB VAL 82 + HB3 LEU 69 OK 50 92 - 55 - ~8800=9, 2.1/8806=6...(18) HG2 ARG 49 - HB3 LEU 69 OK 36 72 - 49 - 3.9/9879=6, ~1296=5...(20) Peak 2023 from aliabs.peaks (1.90, 1.90, 41.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HB3 LEU 69 OK 100 100 - 100 Peak 2024 from aliabs.peaks (1.86, 1.90, 41.39 ppm; 5.87 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HB3 LEU 69 OK 92 100 - 92 - 2266/3.2=14, 2015/1.8=13...(33) HB3 LEU 126 + HB3 LEU 69 OK 88 100 - 88 - 3.1/11377=25, ~11376=18...(24) HB3 GLU 28 - HB3 LEU 69 OK 41 100 - 41 - ~314=5, 2015/1.8=5...(14) HB3 LYS 85 - HB3 LEU 69 OK 40 96 - 41 - 2015/1.8=5, 2040/3.2=4...(18) HB2 LYS 48 - HB3 LEU 69 OK 28 89 - 31 - 2015/1.8=4, 2040/3.2=3...(13) HB2 LYS 36 - HB3 LEU 69 OK 21 62 - 33 - ~9892=8, ~660=4, ~660=3...(11) HB3 LYS 48 - HB3 LEU 69 OK 19 62 - 31 - ~2015=3, 2015/1.8=2...(14) HB2 ARG 144 - HB3 LEU 69 OK 10 77 - 13 - 2040/3.2=1, 2015/1.8=1...(5) Peak 2025 from aliabs.peaks (1.18, 1.90, 41.39 ppm; 5.21 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.2=100 HB2 LEU 72 + HB3 LEU 69 OK 94 100 - 94 - ~2007=16, 2016/1.8=14...(38) HB3 LEU 108 + HB3 LEU 69 OK 63 77 - 82 - ~8477=24, ~10224=18...(26) HG2 LYS 76 + HB3 LEU 69 OK 60 68 - 88 - 3.0/2024=11, 2016/1.8=10...(35) HG12 ILE 56 - HB3 LEU 69 OK 27 94 - 29 - 2.1/10918=5, ~10917=4...(12) QG2 THR 18 - HB3 LEU 69 OK 11 99 - 11 - 1844/11377=1, 2049/3.2=1 Peak 2026 from aliabs.peaks (1.02, 1.90, 41.39 ppm; 5.18 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.2=100 QD1 LEU 116 + HB3 LEU 69 OK 62 68 - 91 - ~2017=17, ~2034=14...(30) QD2 LEU 116 + HB3 LEU 69 OK 61 68 - 91 - ~10228=17, ~10296=15...(30) QG2 VAL 53 - HB3 LEU 69 OK 45 92 - 49 - ~9892=11, 3.2/9846=7...(12) Peak 2029 from aliabs.peaks (4.01, 1.86, 26.80 ppm; 6.80 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.7=100 HB3 SER 100 + HG LEU 69 OK 71 99 - 72 - ~8465=21, ~8462=16...(14) HA MET 113 - HG LEU 69 OK 43 85 - 50 - ~9315=16, 9319/8472=8...(11) HB3 SER 138 - HG LEU 69 OK 39 85 - 45 - ~2045=4, 2021/3.0=4...(16) HB2 SER 138 - HG LEU 69 OK 37 81 - 45 - ~2045=4, ~2021=4...(16) HA GLU 122 - HG LEU 69 OK 35 99 - 36 - 1999/4.6=8, 2012/3.0=6...(7) HA VAL 63 - HG LEU 69 OK 30 68 - 45 - ~9871=13, ~8356=10...(10) HB3 SER 127 - HG LEU 69 OK 21 77 - 27 - ~2019=5, ~2010=5...(7) HA LYS 114 - HG LEU 69 OK 20 92 - 22 - 2045/2.1=4, 2021/3.0=3...(7) HB2 SER 103 - HG LEU 69 OK 11 99 - 11 - 10154/3.0=4, 2037/2.1=1...(4) Peak 2030 from aliabs.peaks (1.38, 1.86, 26.80 ppm; 6.80 A): 6 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 + HG LEU 69 OK 74 94 - 78 - 2022/3.0=8, ~2685=7...(24) HG LEU 132 + HG LEU 69 OK 68 96 - 71 - ~8474=22, ~4514=7...(20) HB2 ARG 109 + HG LEU 69 OK 68 96 - 70 - ~10176=17, 11115/3.0=14...(17) HB3 LEU 39 + HG LEU 69 OK 56 94 - 60 - ~8461=9, ~831=6...(19) HB VAL 82 + HG LEU 69 OK 51 92 - 55 - ~8800=9, 3.0/2477=6...(18) HG2 ARG 49 - HG LEU 69 OK 29 72 - 40 - ~1296=4, 2022/3.0=4...(16) Peak 2031 from aliabs.peaks (1.90, 1.86, 26.80 ppm; 3.77 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.0=100 QE MET 68 - HG LEU 69 OK 31 85 - 36 - 1998/4.6=9, 8423/2.1=6...(10) HB ILE 101 - HG LEU 69 OK 24 100 - 24 - 2039/2.1=4, 2047/2.1=4...(9) HB3 ARG 89 - HG LEU 69 OK 23 98 - 24 - 2039/2.1=4, ~8947=4...(8) HB3 GLN 111 - HG LEU 69 OK 19 94 - 20 - 2047/2.1=4, 2039/2.1=3...(7) HB3 LYS 24 - HG LEU 69 OK 13 94 - 14 - 2039/2.1=2, 2047/2.1=2...(5) HB3 ARG 140 - HG LEU 69 OK 11 72 - 16 - ~9929=2, 2039/2.1=2...(6) HB3 LYS 93 - HG LEU 69 OK 11 68 - 16 - ~9933=2, 2039/2.1=2...(5) HB2 MET 59 - HG LEU 69 lone 8 94 - 8 - 2039/2.1=1, 2047/2.1=1 HB2 GLN 62 - HG LEU 69 lone 3 92 - 3 - Peak 2032 from aliabs.peaks (1.86, 1.86, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 69 + HG LEU 69 OK 100 100 - 100 Peak 2033 from aliabs.peaks (1.18, 1.86, 26.80 ppm; 6.64 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.1=100 HB2 LEU 72 + HG LEU 69 OK 96 100 - 96 - 2016/3.0=14, 6694/4.6=14...(33) HB3 LEU 108 + HG LEU 69 OK 72 77 - 93 - ~8477=46, ~10224=33...(23) HG2 LYS 76 + HG LEU 69 OK 65 68 - 96 - ~2266=13, ~2040=12...(38) HG12 ILE 56 - HG LEU 69 OK 30 94 - 32 - ~10917=6, ~10918=5...(10) QG2 THR 18 - HG LEU 69 OK 13 99 - 13 - ~10854=2, ~10853=1...(7) Peak 2034 from aliabs.peaks (1.02, 1.86, 26.80 ppm; 5.20 A): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.1=100 QD2 LEU 116 + HG LEU 69 OK 62 68 - 91 - ~10228=22, ~10296=19...(23) QD1 LEU 116 + HG LEU 69 OK 61 68 - 90 - ~2042=16, ~3884=16...(25) QG2 VAL 53 + HG LEU 69 OK 46 92 - 50 - ~9892=14, ~9931=7...(11) Peak 2036 from aliabs.peaks (8.63, 1.18, 23.77 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 69 + QD1 LEU 69 OK 98 100 - 98 - 4.7=85, 6695/2.1=27...(20) H LEU 42 + QD1 LEU 69 OK 57 98 - 58 - 2044/2.1=15, 2011/3.2=10...(13) Peak 2037 from aliabs.peaks (4.01, 1.18, 23.77 ppm; 3.26 A): 3 out of 10 assignments used, quality = 0.91: * HA LEU 69 + QD1 LEU 69 OK 84 100 - 84 - 4.1=49, 3.6/9923=14...(15) HB3 SER 100 + QD1 LEU 69 OK 30 99 - 30 - 1.8/8465=10, ~8462=5...(11) HA MET 113 + QD1 LEU 69 OK 21 85 - 25 - 4.9/11536=6, ~9315=4...(7) HA GLU 122 - QD1 LEU 69 OK 18 99 - 18 - 2004=4, 2005/2.1=3...(6) HA VAL 63 - QD1 LEU 69 OK 14 68 - 21 - 3.2/9871=7, 3.2/9894=5...(5) HB3 SER 138 - QD1 LEU 69 OK 13 85 - 15 - 2045/2.1=2, ~2045=1...(5) HB2 SER 138 - QD1 LEU 69 OK 12 81 - 15 - 2045/2.1=2, ~2045=1...(4) HA LYS 114 - QD1 LEU 69 poor 9 92 - 10 - 2045/2.1=1, 8975/9894=1 HB3 SER 127 - QD1 LEU 69 lone 7 77 - 9 - 6690/4.7=1 HB2 SER 103 - QD1 LEU 69 lone 5 99 - 6 - 4.6/9884=2 Peak 2038 from aliabs.peaks (1.38, 1.18, 23.77 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 3.2=100 HG LEU 132 - QD1 LEU 69 OK 39 96 - 41 - 2.1/8474=15, 2046/2.1=5...(16) HG2 LYS 86 - QD1 LEU 69 OK 35 94 - 37 - 2046/2.1=4, 2022/3.2=3...(23) HB2 ARG 109 - QD1 LEU 69 OK 31 96 - 32 - 11115/3.2=5, ~10176=4...(13) HB3 LEU 39 - QD1 LEU 69 OK 27 94 - 29 - 3.0/8461=4, 2046/2.1=3...(11) HB VAL 82 - QD1 LEU 69 OK 25 92 - 27 - 2.1/8800=6, 2046/2.1=3...(11) HG2 ARG 49 - QD1 LEU 69 OK 12 72 - 17 - 2046/2.1=2...(4) Peak 2039 from aliabs.peaks (1.90, 1.18, 23.77 ppm; 3.32 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 3.2=100 QE MET 68 - QD1 LEU 69 OK 34 85 - 40 - 1998/4.7=6, 8423=5...(16) HB3 ARG 89 - QD1 LEU 69 OK 26 98 - 27 - 3.0/8947=5, 2.8/9893=4...(7) HB ILE 101 - QD1 LEU 69 OK 24 100 - 24 - 2047/2.1=3, 2031/2.1=3...(6) HB3 GLN 111 - QD1 LEU 69 OK 23 94 - 24 - 4.6/9875=7, 2047/2.1=3...(5) HB3 ARG 140 - QD1 LEU 69 OK 15 72 - 20 - 3.4/9929=3, 3.4/9929=3...(8) HB3 LYS 93 - QD1 LEU 69 OK 13 68 - 19 - 3.0/9933=3, 3.4/9893=2...(7) HB3 LYS 24 - QD1 LEU 69 OK 13 94 - 13 - 2031/2.1=1, 2047/2.1=1...(4) HB2 MET 59 - QD1 LEU 69 lone 9 94 - 10 - 4.2/10406=2 HB2 GLN 62 - QD1 LEU 69 lone 4 92 - 4 - Peak 2040 from aliabs.peaks (1.86, 1.18, 23.77 ppm; 3.34 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 2.1=100 HB3 LYS 76 + QD1 LEU 69 OK 69 100 - 69 - 2266=8, 2048/2.1=8...(36) HB3 LEU 126 + QD1 LEU 69 OK 51 100 - 51 - 3.1/11376=14, 2048/2.1=6...(21) HB3 LYS 85 - QD1 LEU 69 OK 23 96 - 24 - 3.9/9876=3, 2048/2.1=3...(8) HB3 GLU 28 - QD1 LEU 69 OK 20 100 - 20 - 2048/2.1=3, ~314=2...(11) HB2 LYS 48 - QD1 LEU 69 OK 14 89 - 16 - 2048/2.1=2, 2015/3.2=1...(5) HB2 LYS 36 - QD1 LEU 69 OK 11 62 - 18 - 1.8/9892=5, 4.5/9880=4 HB3 LYS 48 - QD1 LEU 69 poor 9 62 - 14 - 3.6/9893=1, 3.6/9893=1...(4) HB2 ARG 144 - QD1 LEU 69 poor 8 77 - 10 - 4.0/8461=1, 4.0/8461=1 Peak 2041 from aliabs.peaks (1.18, 1.18, 23.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD1 LEU 69 OK 100 100 - 100 Peak 2042 from aliabs.peaks (1.02, 1.18, 23.77 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 2.1=100 QD2 LEU 116 - QD1 LEU 69 OK 36 68 - 53 - 2.1/10228=12, 2034/2.1=5...(23) QD1 LEU 116 - QD1 LEU 69 OK 36 68 - 53 - 10228=7, 3892/2.1=6...(28) QG2 VAL 53 - QD1 LEU 69 OK 20 92 - 22 - 2.1/9892=5, ~1395=2...(7) Peak 2044 from aliabs.peaks (8.63, 1.02, 26.03 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 99 100 - 99 - 5.0=83, 2036/2.1=30...(22) H LEU 42 + QD2 LEU 69 OK 69 98 - 71 - 10733=21, 2036/2.1=15...(13) Peak 2045 from aliabs.peaks (4.01, 1.02, 26.03 ppm; 4.17 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.9=100 HB3 SER 100 - QD2 LEU 69 OK 44 99 - 44 - 1.8/8462=12, ~8465=11...(12) HA MET 113 - QD2 LEU 69 OK 36 85 - 43 - 3.0/9315=10, 5.4/9333=8...(13) HA GLU 122 - QD2 LEU 69 OK 26 99 - 26 - 2005=5, 2037/2.1=4...(7) HB3 SER 138 - QD2 LEU 69 OK 21 85 - 25 - 2037/2.1=3, ~2037=3...(11) HB2 SER 138 - QD2 LEU 69 OK 20 81 - 24 - 2037/2.1=3, ~2037=3...(11) HA LYS 114 - QD2 LEU 69 OK 20 92 - 21 - 3.6/9369=6, 2037/2.1=2...(7) HA VAL 63 - QD2 LEU 69 OK 17 68 - 25 - ~9871=6, ~8356=4...(6) HB3 SER 127 - QD2 LEU 69 OK 11 77 - 15 - 2037/2.1=2, 6690/5.0=2...(7) HB2 SER 103 - QD2 LEU 69 lone 6 99 - 6 - 10154/3.2=2, 2037/2.1=1 Peak 2046 from aliabs.peaks (1.38, 1.02, 26.03 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.2=100 HG LEU 132 - QD2 LEU 69 OK 39 96 - 41 - ~8474=10, 2038/2.1=5...(18) HG2 LYS 86 - QD2 LEU 69 OK 38 94 - 40 - 2038/2.1=5, 2022/3.2=4...(24) HB2 ARG 109 - QD2 LEU 69 OK 37 96 - 38 - 3.0/10176=7, 11115/3.2=6...(17) HB3 LEU 39 - QD2 LEU 69 OK 28 94 - 30 - 2038/2.1=4, ~8461=3...(14) HB VAL 82 - QD2 LEU 69 OK 25 92 - 28 - ~8800=4, 2038/2.1=3...(14) HG2 ARG 49 - QD2 LEU 69 OK 13 72 - 18 - 2038/2.1=2, 2022/3.2=2...(8) Peak 2047 from aliabs.peaks (1.90, 1.02, 26.03 ppm; 3.47 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.2=100 QE MET 68 - QD2 LEU 69 OK 30 85 - 35 - 1998/5.0=6, 8423/2.1=5...(12) HB3 GLN 111 - QD2 LEU 69 OK 27 94 - 29 - 4.6/9919=10, 3.9/9877=3...(8) HB ILE 101 - QD2 LEU 69 OK 23 100 - 23 - 2039/2.1=3, 2031/2.1=3...(6) HB3 ARG 89 - QD2 LEU 69 OK 22 98 - 23 - 2039/2.1=4, ~8947=3...(8) HB3 LYS 24 - QD2 LEU 69 OK 12 94 - 12 - 2039/2.1=2, 2031/2.1=2...(4) HB3 ARG 140 - QD2 LEU 69 OK 11 72 - 15 - 3.4/8463=2, 2039/2.1=2...(5) HB3 LYS 93 - QD2 LEU 69 poor 10 68 - 14 - ~9933=2, 2039/2.1=2, 2031/2.1=1 HB2 MET 59 - QD2 LEU 69 lone 7 94 - 8 - 2039/2.1=1 HB2 GLN 62 - QD2 LEU 69 lone 3 92 - 3 - Peak 2048 from aliabs.peaks (1.86, 1.02, 26.03 ppm; 3.52 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 2.1=100 HB3 LYS 76 + QD2 LEU 69 OK 63 100 - 63 - 2040/2.1=10, 3.0/2049=8...(28) HB3 LEU 126 + QD2 LEU 69 OK 54 100 - 54 - ~11376=8, 3.1/8478=7...(21) HB3 GLU 28 - QD2 LEU 69 OK 21 100 - 21 - 2040/2.1=3, ~314=3...(11) HB3 LYS 85 - QD2 LEU 69 OK 19 96 - 20 - 2040/2.1=3, 2015/3.2=2...(8) HB2 LYS 48 - QD2 LEU 69 OK 13 89 - 14 - 2040/2.1=2, 2015/3.2=1...(4) HB2 LYS 36 - QD2 LEU 69 poor 9 62 - 14 - ~9892=4, 2040/2.1=2...(4) HB3 LYS 48 - QD2 LEU 69 poor 8 62 - 13 - 2040/2.1=1, 3.8/9877=1...(4) HB2 ARG 144 - QD2 LEU 69 lone 5 77 - 6 - 2040/2.1=1, 10514/8459=1 Peak 2049 from aliabs.peaks (1.18, 1.02, 26.03 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 2.1=100 HB2 LEU 72 + QD2 LEU 69 OK 53 100 - 53 - 3.1/8477=5, 2033/2.1=5...(25) HB3 LEU 108 - QD2 LEU 69 OK 42 77 - 54 - 3.2/8477=21...(19) HG2 LYS 76 - QD2 LEU 69 OK 35 68 - 52 - 3.0/2048=5, 2033/2.1=4...(30) HG12 ILE 56 - QD2 LEU 69 OK 10 94 - 11 - ~10917=2, 3504/8477=1 QG2 THR 18 - QD2 LEU 69 lone 6 99 - 6 - Peak 2050 from aliabs.peaks (1.02, 1.02, 26.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 Peak 2052 from aliabs.peaks (7.51, 4.35, 62.26 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 70 + HA TYR 70 OK 100 100 - 100 - 2.9=100 Peak 2053 from aliabs.peaks (4.35, 4.35, 62.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 70 + HA TYR 70 OK 100 100 - 100 Peak 2054 from aliabs.peaks (3.15, 4.35, 62.26 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 HB2 TRP 17 - HA TYR 70 OK 38 72 - 53 - ~186=10, 4.6/2058=8...(12) HA LEU 79 - HA TYR 70 OK 38 92 - 41 - 4.0/8480=13, 4.8/2054=7...(9) Peak 2055 from aliabs.peaks (2.73, 4.35, 62.26 ppm; 6.35 A): 3 out of 6 assignments used, quality = 1.00: * HB3 TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 HB3 ASP 13 + HA TYR 70 OK 62 94 - 66 - 3.0/10602=28...(9) HB3 MET 46 + HA TYR 70 OK 47 99 - 48 - 2065/3.0=7, 2055=5...(15) HB3 GLU 120 - HA TYR 70 OK 41 100 - 41 - 2065/3.0=6, 2055=5...(14) HB2 ASN 84 - HA TYR 70 OK 26 99 - 26 - 8852/8761=6, 2065/3.0=3...(11) HB3 ASP 16 - HA TYR 70 lone 3 62 - 5 - Peak 2060 from aliabs.peaks (2.12, 4.35, 62.26 ppm; 6.43 A): 3 out of 5 assignments used, quality = 0.89: * HB VAL 73 + HA TYR 70 OK 81 100 - 81 - 2060=35, 4.0/6754=34...(9) HB2 GLU 75 + HA TYR 70 OK 28 89 - 32 - 2060=11, 6777/6771=7...(7) HB VAL 53 + HA TYR 70 OK 18 89 - 20 - 2.1/11305=5, 9892/9932=5...(6) HG2 PRO 118 - HA TYR 70 poor 10 72 - 13 - ~6699=5, 9892/9932=2...(4) HG2 GLN 111 - HA TYR 70 lone 9 94 - 10 - 2060=3, ~6706=1, 6765/6754=1 Peak 2062 from aliabs.peaks (7.51, 3.15, 38.83 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 3.6=100 Peak 2063 from aliabs.peaks (4.35, 3.15, 38.83 ppm; 5.76 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 3.0=100 HA PRO 12 + HB2 TYR 70 OK 48 72 - 66 - ~9937=24, ~84=11, ~76=10...(11) HA ILE 56 - HB2 TYR 70 OK 28 100 - 28 - 4604/2.6=6, ~1458=6...(7) HB THR 51 - HB2 TYR 70 lone 7 72 - 9 - ~11513=4, ~1311=2, 2071/1.8=1 Peak 2064 from aliabs.peaks (3.15, 3.15, 38.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 70 + HB2 TYR 70 OK 100 100 - 100 Peak 2065 from aliabs.peaks (2.73, 3.15, 38.83 ppm; 5.22 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 1.8=100 HB3 ASP 13 - HB2 TYR 70 OK 41 94 - 43 - ~10602=14, ~10951=12...(7) HB3 MET 46 - HB2 TYR 70 OK 35 99 - 35 - 2055/3.0=4, 9374/9373=4...(14) HB3 GLU 120 - HB2 TYR 70 OK 32 100 - 32 - ~4017=5, 2055/3.0=4...(12) HB2 ASN 84 - HB2 TYR 70 OK 18 99 - 18 - ~2564=3, 2055/3.0=2...(8) HB3 ASP 16 - HB2 TYR 70 lone 4 62 - 7 - 4.6/6047=4 Peak 2066 from aliabs.peaks (7.08, 3.15, 38.83 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 2.6=100 Peak 2070 from aliabs.peaks (7.51, 2.73, 38.83 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 3.6=100 Peak 2071 from aliabs.peaks (4.35, 2.73, 38.83 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 3.0=100 HA PRO 12 + HB3 TYR 70 OK 53 72 - 73 - ~9937=31, ~84=13...(11) HA ILE 56 - HB3 TYR 70 OK 35 100 - 35 - ~1458=8, 2063/1.8=8...(7) HB THR 51 - HB3 TYR 70 poor 9 72 - 13 - 2.1/11513=5, ~1311=2, 2063/1.8=2 Peak 2072 from aliabs.peaks (3.15, 2.73, 38.83 ppm; 5.23 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 1.8=100 HB2 TRP 17 - HB3 TYR 70 OK 23 72 - 32 - ~186=8, 4.6/2076=6...(8) HA LEU 79 - HB3 TYR 70 OK 14 92 - 16 - 2054/3.0=5, ~2366=3...(4) Peak 2073 from aliabs.peaks (2.73, 2.73, 38.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 70 + HB3 TYR 70 OK 100 100 - 100 Peak 2076 from aliabs.peaks (8.32, 2.73, 38.83 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 71 + HB3 TYR 70 OK 100 100 - 100 - 4.4=100 Peak 2077 from aliabs.peaks (8.32, 2.98, 66.89 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 71 + HA VAL 71 OK 100 100 - 100 - 2.9=100 Peak 2078 from aliabs.peaks (2.98, 2.98, 66.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 71 + HA VAL 71 OK 100 100 - 100 Peak 2079 from aliabs.peaks (1.67, 2.98, 66.89 ppm; 3.84 A): 4 out of 13 assignments used, quality = 1.00: * HB VAL 71 + HA VAL 71 OK 100 100 - 100 - 3.0=100 HB2 MET 68 + HA VAL 71 OK 85 96 - 88 - ~1957=11, ~8439=11...(37) HG13 ILE 136 + HA VAL 71 OK 75 100 - 75 - 2.1/8496=11, 9684/3.2=6...(37) HB2 PRO 57 + HA VAL 71 OK 48 92 - 52 - 2089/3.2=8, 2087=6...(22) HB2 ARG 145 - HA VAL 71 OK 23 100 - 23 - 2094/3.2=2, 2100/3.2=2...(12) HB2 LEU 95 - HA VAL 71 OK 19 100 - 19 - 3.1/8496=4, 2100/3.2=2...(5) HG2 ARG 124 - HA VAL 71 OK 17 81 - 21 - 6741/3.6=3, 4.9/2083=2...(8) HG2 ARG 89 - HA VAL 71 OK 12 100 - 11 - 2094/3.2=1, 2100/3.2=1, ~8520=1 HD3 LYS 93 - HA VAL 71 lone 10 100 - 10 - HG2 ARG 140 - HA VAL 71 lone 8 81 - 10 - ~8520=1 HD2 LYS 48 - HA VAL 71 lone 7 100 - 6 - HD3 LYS 48 - HA VAL 71 lone 6 94 - 6 - HB2 LYS 114 - HA VAL 71 lone 3 62 - 5 - Peak 2080 from aliabs.peaks (0.25, 2.98, 66.89 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.96: * QG2 VAL 71 + HA VAL 71 OK 96 100 - 96 - 3.2=85, 6730/2.9=26...(21) Peak 2081 from aliabs.peaks (0.59, 2.98, 66.89 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.98: * QG1 VAL 71 + HA VAL 71 OK 98 100 - 98 - 3.2=90, 2.1/2080=33...(18) QD1 LEU 66 - HA VAL 71 OK 39 92 - 42 - 9898=12, 2096/3.2=5...(15) QD1 LEU 132 - HA VAL 71 OK 31 92 - 34 - 2090/3.0=4, 2096/3.2=4...(15) Peak 2082 from aliabs.peaks (8.60, 2.98, 66.89 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 72 + HA VAL 71 OK 100 100 - 100 - 3.6=100 Peak 2083 from aliabs.peaks (8.24, 2.98, 66.89 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.92: * H THR 74 + HA VAL 71 OK 92 100 - 92 - 8602/3.2=34, 6772=31...(19) Peak 2084 from aliabs.peaks (3.71, 2.98, 66.89 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.97: * HB THR 74 + HA VAL 71 OK 89 100 - 89 - 4.0/2083=45, 2190=28...(13) HA ILE 136 + HA VAL 71 OK 74 94 - 78 - 4.2/8496=15, 9681/3.2=13...(23) HA ILE 91 - HA VAL 71 OK 38 100 - 38 - 11545/4.9=25...(7) HA THR 107 - HA VAL 71 lone 9 100 - 9 - 4636/8496=1, 6781/2083=1 Peak 2085 from aliabs.peaks (3.86, 1.67, 31.76 ppm; 4.36 A): 2 out of 10 assignments used, quality = 0.99: * HA MET 68 + HB VAL 71 OK 95 100 - 95 - 8439/2.1=43, 8438/2.1=41...(25) HA LEU 72 + HB VAL 71 OK 88 96 - 92 - 2.9/2091=24, ~2097=23...(19) HA LEU 72 - HB2 PRO 57 OK 30 66 - 46 - 11518/1.8=8, 2.9/2091=7...(17) HD2 PRO 118 - HB VAL 71 OK 22 98 - 23 - ~9894=5, 8508/2.1=4...(7) HA ALA 104 - HB VAL 71 OK 22 68 - 32 - 8439/2.1=6, 8508/2.1=5...(8) HA MET 68 - HB2 PRO 57 OK 18 72 - 24 - 8439/2089=4, 1957/2086=2...(6) HA LYS 36 - HB VAL 71 OK 15 100 - 15 - 8508/2.1=4, ~9894=3...(4) HA LYS 36 - HB2 PRO 57 OK 13 72 - 18 - ~10787=4, ~10791=3...(6) HD2 PRO 118 - HB2 PRO 57 poor 7 68 - 10 - 4.6/10585=3, 3927/11514=1 HA ALA 104 - HB2 PRO 57 lone 3 41 - 8 - ~10586=2 Peak 2086 from aliabs.peaks (8.32, 1.67, 31.76 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 71 + HB VAL 71 OK 100 100 - 100 - 3.8=100 H VAL 71 - HB2 PRO 57 OK 26 72 - 36 - 3.9/2089=10, 3.4/2091=8...(6) Peak 2087 from aliabs.peaks (2.98, 1.67, 31.76 ppm; 4.59 A): 2 out of 10 assignments used, quality = 1.00: * HA VAL 71 + HB VAL 71 OK 100 100 - 100 - 3.0=100 HA VAL 71 + HB2 PRO 57 OK 47 72 - 65 - 3.2/2089=11, ~8513=8...(24) HA VAL 82 - HB VAL 71 OK 32 81 - 40 - 2099/2.1=6, 6740/4.6=6...(12) HB3 TYR 27 - HB VAL 71 OK 28 81 - 34 - 2099/2.1=6, 2093/2.1=5...(11) HB2 ASP 30 - HB VAL 71 poor 9 92 - 10 - 2099/2.1=2, 2093/2.1=2 HB3 TYR 27 - HB2 PRO 57 lone 4 52 - 8 - ~10986=2 HB2 HIS 14 - HB VAL 71 lone 3 96 - 3 - HA VAL 82 - HB2 PRO 57 lone 2 52 - 5 - HB2 ASP 30 - HB2 PRO 57 lone 1 61 - 2 - HB2 HIS 14 - HB2 PRO 57 lone 1 66 - 1 - Peak 2088 from aliabs.peaks (1.67, 1.67, 31.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 71 + HB VAL 71 OK 100 100 - 100 HB2 PRO 57 + HB2 PRO 57 OK 61 61 - 100 Peak 2089 from aliabs.peaks (0.25, 1.67, 31.76 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 71 + HB VAL 71 OK 100 100 - 100 - 2.1=100 QG2 VAL 71 - HB2 PRO 57 OK 40 72 - 56 - 9900/2.3=7, ~8513=7...(20) Peak 2090 from aliabs.peaks (0.59, 1.67, 31.76 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 71 + HB VAL 71 OK 100 100 - 100 - 2.1=100 QD1 LEU 66 + HB VAL 71 OK 47 92 - 51 - 9898/3.0=13, 2096/2.1=9...(15) QD1 LEU 132 - HB VAL 71 OK 43 92 - 47 - 2096/2.1=7, 2081/3.0=6...(16) QG1 VAL 71 - HB2 PRO 57 OK 39 72 - 55 - 8513/1.8=9, 2.1/2089=9...(21) QD1 LEU 66 - HB2 PRO 57 OK 22 61 - 36 - 8521/3.0=9, 8521/3.0=8...(7) QD1 LEU 132 - HB2 PRO 57 OK 19 61 - 32 - 10422=5, 10592/2.3=5...(9) Peak 2091 from aliabs.peaks (8.60, 1.67, 31.76 ppm; 5.41 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 72 + HB VAL 71 OK 100 100 - 100 - 4.6=100 H LEU 72 + HB2 PRO 57 OK 46 72 - 64 - 4.3/2089=11, 3.6/2087=8...(25) Peak 2092 from aliabs.peaks (8.32, 0.25, 22.30 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.92: * H VAL 71 + QG2 VAL 71 OK 92 100 - 92 - 6730=50, 2.9/2080=24...(21) Peak 2093 from aliabs.peaks (2.98, 0.25, 22.30 ppm; 2.89 A): 3 out of 5 assignments used, quality = 0.95: * HA VAL 71 + QG2 VAL 71 OK 93 100 - 93 - 3.2=74, 2.9/6730=24...(20) HA VAL 82 + QG2 VAL 71 OK 13 81 - 16 - 2099/2.1=3, 2087/2.1=3...(6) HB3 TYR 27 + QG2 VAL 71 OK 13 81 - 15 - 2099/2.1=4, 2087/2.1=3...(6) HB2 ASP 30 - QG2 VAL 71 lone 4 92 - 4 - HB2 HIS 14 - QG2 VAL 71 lone 1 96 - 1 - Peak 2094 from aliabs.peaks (1.67, 0.25, 22.30 ppm; 3.04 A): 3 out of 13 assignments used, quality = 1.00: * HB VAL 71 + QG2 VAL 71 OK 100 100 - 100 - 2.1=100 HB2 MET 68 + QG2 VAL 71 OK 74 96 - 77 - 3.0/8439=15, 4.2/8426=14...(32) HG13 ILE 136 + QG2 VAL 71 OK 58 100 - 58 - 2.1/8516=6, 1.8/8517=6...(28) HB2 PRO 57 - QG2 VAL 71 OK 39 92 - 43 - 2089=8, 2.3/9900=5...(19) HB2 ARG 145 - QG2 VAL 71 OK 21 100 - 21 - 3.4/8505=2, 1.8/9900=2...(10) HB2 LEU 95 - QG2 VAL 71 OK 14 100 - 14 - 3.1/8516=2, 2100/2.1=1 HG2 ARG 89 - QG2 VAL 71 OK 11 100 - 11 - 2.8/8520=2, 2100/2.1=1 HG2 ARG 124 - QG2 VAL 71 OK 11 81 - 13 - 3.0/9939=1, 2100/2.1=1 HG2 ARG 140 - QG2 VAL 71 lone 8 81 - 10 - 2.9/8520=2, 2.9/8520=1 HD3 LYS 93 - QG2 VAL 71 lone 8 100 - 7 - HD2 LYS 48 - QG2 VAL 71 lone 5 100 - 5 - HD3 LYS 48 - QG2 VAL 71 lone 5 94 - 5 - HB2 LYS 114 - QG2 VAL 71 lone 2 62 - 3 - Peak 2095 from aliabs.peaks (0.25, 0.25, 22.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 71 + QG2 VAL 71 OK 100 100 - 100 Peak 2096 from aliabs.peaks (0.59, 0.25, 22.30 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 71 + QG2 VAL 71 OK 100 100 - 100 - 2.1=100 QD1 LEU 66 - QG2 VAL 71 OK 30 92 - 33 - 9898/3.2=6, 4.0/8506=3...(16) QD1 LEU 132 - QG2 VAL 71 OK 23 92 - 25 - 2090/2.1=4, 2081/3.2=3...(10) Peak 2097 from aliabs.peaks (8.60, 0.25, 22.30 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 72 + QG2 VAL 71 OK 98 100 - 98 - 4.3=57, 2103/2.1=32...(30) Peak 2098 from aliabs.peaks (8.32, 0.59, 20.28 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.98: * H VAL 71 + QG1 VAL 71 OK 98 100 - 98 - 4.0=73, 6730/2.1=43...(22) Peak 2099 from aliabs.peaks (2.98, 0.59, 20.28 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 71 + QG1 VAL 71 OK 100 100 - 100 - 3.2=100 HA VAL 82 - QG1 VAL 71 OK 18 81 - 22 - 2093/2.1=4, 2087/2.1=3...(9) HB3 TYR 27 - QG1 VAL 71 OK 17 81 - 21 - 2093/2.1=4, 2087/2.1=4...(10) HB2 ASP 30 - QG1 VAL 71 lone 5 92 - 5 - 2093/2.1=1 HB2 HIS 14 - QG1 VAL 71 lone 2 96 - 2 - Peak 2100 from aliabs.peaks (1.67, 0.59, 20.28 ppm; 3.29 A): 4 out of 13 assignments used, quality = 1.00: * HB VAL 71 + QG1 VAL 71 OK 100 100 - 100 - 2.1=100 HB2 MET 68 + QG1 VAL 71 OK 81 96 - 84 - 3.0/8438=18, 4.2/8425=13...(31) HG13 ILE 136 + QG1 VAL 71 OK 66 100 - 66 - 2.1/9685=13, 2.3/9683=8...(29) HB2 PRO 57 + QG1 VAL 71 OK 47 92 - 51 - 1.8/8513=8, 2089/2.1=8...(21) HB2 ARG 145 - QG1 VAL 71 OK 22 100 - 22 - 1.8/9901=3, 2094/2.1=2...(10) HB2 LEU 95 - QG1 VAL 71 OK 17 100 - 17 - 2094/2.1=2, 2079/3.2=1 HG2 ARG 124 - QG1 VAL 71 OK 13 81 - 16 - 6741/4.2=2, 2094/2.1=1...(4) HG2 ARG 89 - QG1 VAL 71 OK 12 100 - 12 - 2094/2.1=1, 2.8/8514=1, ~8520=1 HD3 LYS 93 - QG1 VAL 71 OK 10 100 - 10 - HG2 ARG 140 - QG1 VAL 71 poor 10 81 - 12 - 2.9/8514=1, ~8520=1 HD2 LYS 48 - QG1 VAL 71 lone 7 100 - 6 - HD3 LYS 48 - QG1 VAL 71 lone 6 94 - 6 - HB2 LYS 114 - QG1 VAL 71 lone 4 62 - 7 - 4.6/9368=2 Peak 2101 from aliabs.peaks (0.25, 0.59, 20.28 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 71 + QG1 VAL 71 OK 100 100 - 100 - 2.1=100 Peak 2102 from aliabs.peaks (0.59, 0.59, 20.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 71 + QG1 VAL 71 OK 100 100 - 100 Peak 2103 from aliabs.peaks (8.60, 0.59, 20.28 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 72 + QG1 VAL 71 OK 98 100 - 98 - 4.2=70, 2097/2.1=36...(28) Peak 2104 from aliabs.peaks (8.60, 3.87, 57.42 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 72 + HA LEU 72 OK 100 100 - 100 - 2.9=100 Peak 2105 from aliabs.peaks (3.87, 3.87, 57.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 72 + HA LEU 72 OK 100 100 - 100 Peak 2106 from aliabs.peaks (1.18, 3.87, 57.42 ppm; 3.94 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 72 + HA LEU 72 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HA LEU 72 OK 75 100 - 75 - 9922/3.6=20, 2106=13...(23) HB3 LEU 108 + HA LEU 72 OK 51 85 - 60 - 3.2/2110=6, ~8536=6...(29) QD1 LEU 26 - HA LEU 72 OK 13 62 - 20 - 2106=3, 6745/2.9=2...(6) QG2 THR 18 - HA LEU 72 OK 11 100 - 11 - 10865/2113=2...(3) HG12 ILE 56 - HA LEU 72 poor 10 98 - 10 - 3.0/2114=2, 2127/3.0=1 Peak 2107 from aliabs.peaks (1.81, 3.87, 57.42 ppm; 3.76 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 72 + HA LEU 72 OK 100 100 - 100 - 3.0=100 HB3 MET 68 + HA LEU 72 OK 51 68 - 75 - 1.8/1960=8, 2107=8...(32) HB2 ARG 124 - HA LEU 72 OK 40 100 - 41 - 1.8/2114=7, 2107=6...(17) HD3 LYS 34 - HA LEU 72 OK 35 92 - 38 - 1.8/2108=5, 2108=3...(15) HG2 PRO 57 - HA LEU 72 OK 35 89 - 39 - 2108=6, 2.3/11518=5...(15) HB2 LYS 24 - HA LEU 72 OK 29 94 - 31 - 10880/3.7=6, 11323/3.0=5...(13) HB2 MET 11 - HA LEU 72 OK 26 92 - 28 - 2107=4, 1.8/2114=4...(11) HD3 LYS 86 - HA LEU 72 OK 18 92 - 20 - 2107=3, 6746/2.9=2...(7) HD3 LYS 36 - HA LEU 72 OK 16 72 - 22 - 2107=3, 2.9/684=2...(9) HD2 LYS 34 - HA LEU 72 OK 16 62 - 25 - 1.8/2108=5, 3.4/2114=2...(10) HB2 ARG 141 - HA LEU 72 lone 5 62 - 9 - Peak 2108 from aliabs.peaks (1.78, 3.87, 57.42 ppm; 3.77 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 72 + HA LEU 72 OK 100 100 - 100 - 3.7=100 HG LEU 39 - HA LEU 72 OK 36 81 - 45 - 852/2.9=8, 8134=8...(14) HD2 LYS 34 - HA LEU 72 OK 34 85 - 40 - 2108=6, 1.8/2108=5...(13) HB3 MET 59 - HA LEU 72 OK 20 96 - 21 - 2108=3, 2120/3.0=3...(9) HB3 ARG 145 - HA LEU 72 OK 16 92 - 17 - 4953/3.6=3, 2108=3...(8) HB ILE 83 - HA LEU 72 OK 15 72 - 21 - ~10998=7, ~11547=7...(6) HB3 ARG 55 - HA LEU 72 lone 8 100 - 8 - 6761/3.6=1 Peak 2109 from aliabs.peaks (0.79, 3.87, 57.42 ppm; 2.91 A): 5 out of 5 assignments used, quality = 0.93: * QD2 LEU 72 + HA LEU 72 OK 84 100 - 84 - 3.9=41, 2141/2.9=13...(24) QG2 THR 74 + HA LEU 72 OK 27 89 - 31 - 4.3/2112=6, 2142=5...(10) QD1 LEU 79 + HA LEU 72 OK 15 92 - 17 - 2121/3.0=2, 2130/3.0=2...(8) QD1 ILE 136 + HA LEU 72 OK 15 62 - 24 - 2109=4, 6748/2.9=2...(9) QD2 LEU 95 + HA LEU 72 OK 14 96 - 14 - 2121/3.0=2, 9075/11545=2...(6) Peak 2110 from aliabs.peaks (0.77, 3.87, 57.42 ppm; 2.91 A): 3 out of 5 assignments used, quality = 0.97: * QD1 LEU 72 + HA LEU 72 OK 85 100 - 85 - 3.8=45, 2.1/2142=15...(24) QG2 VAL 73 + HA LEU 72 OK 60 100 - 60 - 2179/3.6=16, 9925/2.9=11...(16) QD1 LEU 108 + HA LEU 72 OK 44 98 - 45 - 2110=6, 2149/2.9=6...(20) QD2 LEU 108 - HA LEU 72 OK 35 81 - 43 - 2.1/2150=4, ~2149=3...(24) QD1 ILE 136 - HA LEU 72 OK 27 96 - 28 - 2110=5, 6749/2.9=3...(11) Peak 2111 from aliabs.peaks (8.01, 3.87, 57.42 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 73 + HA LEU 72 OK 100 100 - 100 - 3.6=100 Peak 2112 from aliabs.peaks (8.40, 3.87, 57.42 ppm; 6.24 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 75 + HA LEU 72 OK 97 100 - 97 - 2112=36, 6769/3.6=35...(19) H TYR 117 - HA LEU 72 OK 26 100 - 26 - 10538=6, 6769/3.6=5...(8) Peak 2113 from aliabs.peaks (2.13, 3.87, 57.42 ppm; 4.00 A): 2 out of 7 assignments used, quality = 0.94: * HB2 GLU 75 + HA LEU 72 OK 78 100 - 78 - 2208=27, 1.8/2114=20...(17) HB VAL 73 + HA LEU 72 OK 74 89 - 84 - 2113=22, 6765/3.6=17...(26) HG2 GLN 111 - HA LEU 72 lone 10 100 - 10 - 2113=2, 8533/2.9=2, 6765/3.6=1 HB VAL 53 - HA LEU 72 lone 7 100 - 7 - 9892/2106=1, 2.1/8539=1 HB2 GLN 133 - HA LEU 72 lone 5 72 - 7 - 8533/2.9=3, ~8533=2, ~6735=1 HG3 PRO 118 - HA LEU 72 lone 5 62 - 8 - 8533/2.9=2, ~2117=1, ~2126=1 HB3 GLN 133 - HA LEU 72 lone 5 68 - 7 - 8533/2.9=3, ~8533=2, ~6735=1 Peak 2114 from aliabs.peaks (1.98, 3.87, 57.42 ppm; 4.18 A): 4 out of 5 assignments used, quality = 0.88: * HB3 GLU 75 + HA LEU 72 OK 79 100 - 79 - 2216=26, 1.8/2208=23...(18) HB3 ARG 124 + HA LEU 72 OK 23 62 - 36 - 1.8/2107=6, 2114=5...(15) HB3 MET 11 + HA LEU 72 OK 16 62 - 25 - 2114=4, 1.8/2107=4...(11) HB2 GLU 142 + HA LEU 72 OK 11 98 - 12 - 2114=3, 2212/2208=2...(4) HB ILE 56 - HA LEU 72 lone 8 89 - 9 - 3.0/2106=1 Peak 2116 from aliabs.peaks (8.60, 1.18, 42.88 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.4=100 Peak 2117 from aliabs.peaks (3.87, 1.18, 42.88 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.0=100 HA MET 68 + HB2 LEU 72 OK 90 96 - 93 - 9918/3.4=20, 2117=14...(37) HA LYS 36 - HB2 LEU 72 OK 30 96 - 31 - 2150/3.1=4, 654/1.8=3...(13) HD2 PRO 118 - HB2 LEU 72 OK 23 81 - 28 - ~8533=3, ~9911=3...(8) Peak 2118 from aliabs.peaks (1.18, 1.18, 42.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 72 + HB2 LEU 72 OK 100 100 - 100 Peak 2119 from aliabs.peaks (1.81, 1.18, 42.88 ppm; 5.02 A): 7 out of 11 assignments used, quality = 1.00: * HB3 LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 1.8=100 HB2 ARG 124 + HB2 LEU 72 OK 66 100 - 67 - ~11609=7, 9481/3.2=7...(23) HB3 MET 68 + HB2 LEU 72 OK 66 68 - 98 - ~9912=22, ~9945=17...(51) HD3 LYS 34 + HB2 LEU 72 OK 63 92 - 69 - 1.8/2120=7, ~2129=6...(38) HB2 LYS 24 + HB2 LEU 72 OK 58 94 - 62 - 10880/3.0=9, 11323/1.8=8...(23) HG2 PRO 57 + HB2 LEU 72 OK 53 89 - 60 - ~2091=6, 2129/1.8=6...(25) HB2 MET 11 + HB2 LEU 72 OK 45 92 - 49 - 2119=5, 2107/3.0=4...(21) HD2 LYS 34 - HB2 LEU 72 OK 35 62 - 57 - 1.8/2120=7, ~2129=5...(29) HD3 LYS 86 - HB2 LEU 72 OK 32 92 - 35 - 2119=3, 2107/3.0=3...(20) HD3 LYS 36 - HB2 LEU 72 OK 26 72 - 35 - ~10173=3, 5.3/2117=3...(17) HB2 ARG 141 - HB2 LEU 72 OK 10 62 - 16 - 6760/4.4=1, ~9259=1, 2119=1 Peak 2120 from aliabs.peaks (1.78, 1.18, 42.88 ppm; 4.73 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.0=100 HD2 LYS 34 + HB2 LEU 72 OK 56 85 - 66 - 2129/1.8=7, 1.8/2120=7...(33) HG LEU 39 + HB2 LEU 72 OK 53 81 - 65 - 852/3.4=11, 8134/3.0=9...(23) HB3 MET 59 - HB2 LEU 72 OK 44 96 - 46 - 2129/1.8=5, ~1604=5...(20) HB ILE 83 - HB2 LEU 72 OK 32 72 - 44 - ~10998=14, ~11547=14...(10) HB3 ARG 145 - HB2 LEU 72 OK 26 92 - 28 - 4953/4.4=4, 2129/1.8=3...(12) HB3 ARG 55 - HB2 LEU 72 OK 15 100 - 15 - 2129/1.8=2, 6761/4.4=2...(8) Peak 2121 from aliabs.peaks (0.79, 1.18, 42.88 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.2=100 QG2 THR 74 - HB2 LEU 72 OK 34 89 - 38 - 2109/3.0=6, 2130/1.8=5...(9) QD2 LEU 95 - HB2 LEU 72 OK 30 96 - 31 - 3.9/9063=5, 2130/1.8=4...(9) QD1 ILE 136 - HB2 LEU 72 OK 30 62 - 48 - 2121=5, 2130/1.8=5...(18) QD1 LEU 79 - HB2 LEU 72 OK 26 92 - 28 - 2130/1.8=4, 2109/3.0=3...(8) Peak 2122 from aliabs.peaks (0.77, 1.18, 42.88 ppm; 3.69 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 72 + HB2 LEU 72 OK 100 100 - 100 - 3.1=100 QG2 VAL 73 + HB2 LEU 72 OK 83 100 - 83 - 2179/4.4=20, 9961/3.4=16...(26) QD1 LEU 108 + HB2 LEU 72 OK 75 98 - 76 - 2149/3.4=9, 2131/1.8=8...(39) QD2 LEU 108 + HB2 LEU 72 OK 64 81 - 79 - 3.2/8536=8, 2131/1.8=7...(49) QD1 ILE 136 + HB2 LEU 72 OK 50 96 - 52 - 2122=6, 2131/1.8=4...(19) Peak 2126 from aliabs.peaks (3.87, 1.81, 42.88 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.0=100 HA MET 68 + HB3 LEU 72 OK 94 96 - 97 - 9918/3.4=30, 2117/1.8=19...(39) HA LYS 36 - HB3 LEU 72 OK 42 96 - 43 - 2117/1.8=6, 2134/3.0=6...(16) HD2 PRO 118 - HB3 LEU 72 OK 32 81 - 39 - ~8533=6, ~9911=5...(15) Peak 2127 from aliabs.peaks (1.18, 1.81, 42.88 ppm; 4.83 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 1.8=100 QD1 LEU 69 + HB3 LEU 72 OK 89 100 - 89 - 9922/4.4=26, 2151/3.1=13...(29) HB3 LEU 108 + HB3 LEU 72 OK 77 85 - 90 - ~8536=12, 1.8/8535=11...(45) HG12 ILE 56 - HB3 LEU 72 OK 16 98 - 17 - ~1482=2, 2106/3.0=2...(7) QD1 LEU 26 - HB3 LEU 72 OK 15 62 - 24 - 2106/3.0=2, 6745/3.4=2...(13) QG2 THR 18 - HB3 LEU 72 OK 10 100 - 10 - 2106/3.0=2, ~10853=1...(4) Peak 2128 from aliabs.peaks (1.81, 1.81, 42.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 72 + HB3 LEU 72 OK 100 100 - 100 Peak 2129 from aliabs.peaks (1.78, 1.81, 42.88 ppm; 4.79 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.0=100 HD2 LYS 34 + HB3 LEU 72 OK 54 85 - 63 - 2120/1.8=7, 2108/3.0=6...(31) HG LEU 39 + HB3 LEU 72 OK 52 81 - 64 - 852/3.4=11, 8134/3.0=9...(22) HB3 MET 59 - HB3 LEU 72 OK 40 96 - 42 - 2120/1.8=5, ~1604=5...(17) HB ILE 83 - HB3 LEU 72 OK 25 72 - 34 - 3.0/11547=17, 2120/1.8=4...(8) HB3 ARG 145 - HB3 LEU 72 OK 24 92 - 26 - 4953/4.4=4, 2120/1.8=3...(11) HB3 ARG 55 - HB3 LEU 72 OK 14 100 - 13 - 2120/1.8=2, 6761/4.4=2...(7) Peak 2130 from aliabs.peaks (0.79, 1.81, 42.88 ppm; 3.52 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.2=100 QG2 THR 74 - HB3 LEU 72 OK 27 89 - 30 - 2109/3.0=6, 2121/1.8=5...(8) QD1 ILE 136 - HB3 LEU 72 OK 24 62 - 38 - 2121/1.8=5, 2154/3.1=3...(16) QD1 LEU 79 - HB3 LEU 72 OK 21 92 - 23 - 2121/1.8=4, 2109/3.0=3...(7) QD2 LEU 95 - HB3 LEU 72 OK 21 96 - 22 - 2121/1.8=5, 2109/3.0=3...(6) Peak 2131 from aliabs.peaks (0.77, 1.81, 42.88 ppm; 3.52 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 72 + HB3 LEU 72 OK 100 100 - 100 - 3.1=100 QG2 VAL 73 + HB3 LEU 72 OK 77 100 - 78 - 2179/4.4=18, 9961/3.4=15...(24) QD1 LEU 108 + HB3 LEU 72 OK 69 98 - 70 - 2149/3.4=8, 2122/1.8=7...(36) QD2 LEU 108 + HB3 LEU 72 OK 59 81 - 72 - 2122/1.8=6, 2.1/2152=5...(45) QD1 ILE 136 - HB3 LEU 72 OK 40 96 - 41 - 2122/1.8=5, 2147/3.2=4...(17) Peak 2134 from aliabs.peaks (3.87, 1.78, 27.00 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 72 + HG LEU 72 OK 100 100 - 100 - 3.7=100 HA MET 68 + HG LEU 72 OK 87 96 - 90 - 9918/5.3=24, 2117/3.0=18...(22) HA LYS 36 - HG LEU 72 OK 38 96 - 39 - 2117/3.0=6, 2126/3.0=6...(13) HD2 PRO 118 - HG LEU 72 OK 24 81 - 29 - ~9911=6, 2117/3.0=5...(10) Peak 2135 from aliabs.peaks (1.18, 1.78, 27.00 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 72 + HG LEU 72 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HG LEU 72 OK 92 100 - 93 - 2106/3.7=14, 2127/3.0=14...(28) HB3 LEU 108 + HG LEU 72 OK 83 85 - 97 - ~8536=17, ~3510=14...(42) HG12 ILE 56 - HG LEU 72 OK 23 98 - 23 - 3.2/11009=3, 2127/3.0=3...(10) QD1 LEU 26 - HG LEU 72 OK 18 62 - 29 - ~248=3, 2106/3.7=3...(13) QG2 THR 18 - HG LEU 72 OK 15 100 - 15 - 10856/8963=3, 2106/3.7=2...(6) Peak 2136 from aliabs.peaks (1.81, 1.78, 27.00 ppm; 3.68 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 72 + HG LEU 72 OK 100 100 - 100 - 3.0=100 HB3 MET 68 + HG LEU 72 OK 53 68 - 79 - ~9912=14, ~9945=11...(35) HB2 LYS 24 - HG LEU 72 OK 44 94 - 46 - 10880=9, 3.0/11318=7...(18) HD3 LYS 34 - HG LEU 72 OK 38 92 - 41 - 2144/2.1=3, ~2145=3...(18) HB2 ARG 124 - HG LEU 72 OK 37 100 - 37 - ~11609=5, 9481/2.1=5...(18) HG2 PRO 57 - HG LEU 72 OK 32 89 - 37 - 2153/2.1=4, 2145/2.1=4...(14) HB2 MET 11 - HG LEU 72 OK 22 92 - 24 - 2144/2.1=3, 2152/2.1=3...(8) HD2 LYS 34 - HG LEU 72 OK 19 62 - 31 - ~2153=3, ~2145=3...(15) HD3 LYS 86 - HG LEU 72 OK 15 92 - 16 - 2144/2.1=2, 2152/2.1=2...(4) HD3 LYS 36 - HG LEU 72 OK 11 72 - 15 - ~10173=2, 2152/2.1=1...(7) HB2 ARG 141 - HG LEU 72 lone 5 62 - 7 - Peak 2137 from aliabs.peaks (1.78, 1.78, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 72 + HG LEU 72 OK 100 100 - 100 Peak 2138 from aliabs.peaks (0.79, 1.78, 27.00 ppm; 4.87 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 72 + HG LEU 72 OK 100 100 - 100 - 2.1=100 QD1 ILE 136 - HG LEU 72 OK 38 62 - 61 - ~4625=8, ~4609=8...(16) QG2 THR 74 - HG LEU 72 OK 34 89 - 38 - 2109/3.7=8, 2121/3.0=7...(12) QD2 LEU 95 - HG LEU 72 OK 28 96 - 29 - 2121/3.0=6, 2130/3.0=5...(10) QD1 LEU 79 - HG LEU 72 OK 26 92 - 29 - 2121/3.0=5, 2130/3.0=5...(8) Peak 2139 from aliabs.peaks (0.77, 1.78, 27.00 ppm; 4.87 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 72 + HG LEU 72 OK 100 100 - 100 - 2.1=100 QG2 VAL 73 + HG LEU 72 OK 90 100 - 90 - ~9948=24, 9961/5.3=21...(25) QD1 LEU 108 + HG LEU 72 OK 85 98 - 87 - 2154/2.1=9, 2149/5.3=9...(37) QD2 LEU 108 + HG LEU 72 OK 71 81 - 88 - 2.1/2153=9, ~2154=8...(39) QD1 ILE 136 + HG LEU 72 OK 61 96 - 63 - ~4625=8, ~4609=8...(17) Peak 2141 from aliabs.peaks (8.60, 0.79, 22.25 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 72 + QD2 LEU 72 OK 96 100 - 96 - 5.0=36, 2149/2.1=22...(39) H LEU 72 - QG2 THR 74 OK 28 65 - 43 - 3.6/8496=8, 6773/4.0=7...(12) H LEU 72 - QD1 LEU 79 OK 12 35 - 33 - ~8579=11, 3.6/8496=4...(9) Peak 2142 from aliabs.peaks (3.87, 0.79, 22.25 ppm; 3.02 A): 2 out of 12 assignments used, quality = 0.95: * HA LEU 72 + QD2 LEU 72 OK 87 100 - 87 - 3.9=46, 2.9/2141=15...(25) HA MET 68 + QD2 LEU 72 OK 60 96 - 63 - 2142=14, 3.0/8430=8...(23) HA LEU 72 - QG2 THR 74 OK 23 65 - 35 - 2109=9, 2112/4.3=7...(10) HA LYS 36 - QD2 LEU 72 OK 13 96 - 13 - 2150/2.1=2, 8990/8542=1...(5) HA MET 68 - QG2 THR 74 OK 12 59 - 19 - 2.9/8443=3, 3.6/8466=2...(8) HD2 PRO 118 - QD2 LEU 72 OK 10 81 - 13 - ~9911=1, 2150/2.1=1, 2117/3.2=1 HA MET 68 - QD1 LEU 79 poor 8 32 - 26 - 3.6/8466=5, 2.9/8443=5...(8) HA LEU 72 - QD1 LEU 79 poor 7 35 - 19 - 2109=5, 3.0/2121=2...(8) HA LYS 36 - QD1 LEU 79 lone 2 32 - 7 - 5.3/8784=1 HD2 PRO 118 - QG2 THR 74 lone 2 46 - 4 - HD2 PRO 118 - QD1 LEU 79 lone 1 24 - 6 - 4.6/11416=2 HA LYS 36 - QG2 THR 74 lone 1 59 - 2 - Peak 2143 from aliabs.peaks (1.18, 0.79, 22.25 ppm; 3.04 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LEU 72 + QD2 LEU 72 OK 97 100 - 97 - 3.2=87, 1.8/2144=16...(29) QD1 LEU 69 + QD2 LEU 72 OK 65 100 - 65 - 2143=13, 2151/2.1=10...(31) HB3 LEU 108 + QD2 LEU 72 OK 49 85 - 58 - 3.2/2154=5, 3491/2.1=4...(33) HB2 LEU 72 - QG2 THR 74 OK 18 65 - 28 - 3.0/2109=4, 2121=4...(8) QD1 LEU 69 - QD1 LEU 79 OK 15 35 - 44 - 10917/2.1=7, ~8478=7...(13) QD1 LEU 69 - QG2 THR 74 OK 13 64 - 20 - 9928/2.1=3, 2.1/8471=2...(5) QD1 LEU 26 - QD2 LEU 72 poor 8 62 - 13 - 2143=2 QG2 THR 18 - QD2 LEU 72 lone 8 100 - 8 - 10865/11608=1 HB2 LEU 72 - QD1 LEU 79 poor 7 35 - 20 - 2121=3, 1.8/2130=3...(7) HG12 ILE 56 - QD2 LEU 72 lone 7 98 - 7 - HB3 LEU 108 - QG2 THR 74 poor 6 49 - 12 - ~3477=2, 3486/2.1=2, 3.2/2154=1 QG2 THR 18 - QG2 THR 74 lone 3 64 - 5 - 10856/2.1=3, ~8609=1 HB3 LEU 108 - QD1 LEU 79 poor 3 26 - 12 - 4.4/9934=1, ~11017=1 HG12 ILE 56 - QD1 LEU 79 lone 2 33 - 7 - ~8735=1 HG12 ILE 56 - QG2 THR 74 lone 2 61 - 4 - ~8605=1, ~8603=1 QD1 LEU 26 - QG2 THR 74 lone 1 33 - 3 - QG2 THR 18 - QD1 LEU 79 lone 1 35 - 2 - QD1 LEU 26 - QD1 LEU 79 lone 1 17 - 3 - Peak 2144 from aliabs.peaks (1.81, 0.79, 22.25 ppm; 2.81 A): 2 out of 33 assignments used, quality = 0.95: * HB3 LEU 72 + QD2 LEU 72 OK 91 100 - 91 - 3.2=68, 1.8/2143=13...(28) HB3 MET 68 + QD2 LEU 72 OK 45 68 - 66 - 2144=9, 1.8/8430=9...(31) HB2 ARG 124 - QD2 LEU 72 OK 30 100 - 30 - 2144=5, 1.8/11609=4...(12) HB2 LYS 24 - QD2 LEU 72 OK 28 94 - 29 - 10880/2.1=6, 9910/2.1=4...(10) HD3 LYS 34 - QD2 LEU 72 OK 27 92 - 29 - 1.8/2145=4, 2145=3...(14) HG2 PRO 57 - QD2 LEU 72 OK 21 89 - 24 - 2145=4, 2153/2.1=3...(10) HB2 MET 11 - QD2 LEU 72 OK 18 92 - 20 - 2144=4, 2152/2.1=2...(7) HB2 ARG 124 - QD1 LEU 79 OK 14 34 - 41 - 3.0/10675=5, ~8735=4...(19) HB3 LEU 72 - QG2 THR 74 OK 14 65 - 21 - 3.0/2109=4, 2130=4...(7) HD2 LYS 34 - QD2 LEU 72 OK 13 62 - 21 - 1.8/2145=4, 3.4/11609=2...(7) HD3 LYS 86 - QD2 LEU 72 OK 11 92 - 12 - 2144=2, 2152/2.1=1, 2136/2.1=1 HB2 ARG 124 - QG2 THR 74 poor 8 63 - 13 - 4212/4.0=2, 1.8/9484=2...(5) HD3 LYS 36 - QD2 LEU 72 poor 7 72 - 10 - 2144=2 HB3 LEU 72 - QD1 LEU 79 poor 5 35 - 16 - 2130=3, 1.8/2121=2...(7) HB3 MET 68 - QG2 THR 74 poor 5 37 - 12 - 3.6/8443=2, 1.8/8430=2...(6) HB2 ARG 141 - QD2 LEU 72 lone 4 62 - 6 - HB3 MET 68 - QD1 LEU 79 poor 4 19 - 20 - 1.8/8430=4, 2.9/8428=4...(6) HB2 LYS 24 - QD1 LEU 79 poor 4 30 - 12 - 11326/2.1=2, ~11332=1 HD3 LYS 36 - QD1 LEU 79 poor 3 21 - 16 - 3.0/8730=2, 1.8/8784=2...(5) HG2 PRO 57 - QD1 LEU 79 lone 2 27 - 9 - ~8268=3, ~8265=2, ~8265=1 HB2 MET 11 - QG2 THR 74 lone 1 54 - 2 - HG2 PRO 57 - QG2 THR 74 lone 1 52 - 2 - HB2 LYS 24 - QG2 THR 74 lone 1 57 - 2 - HB2 MET 11 - QD1 LEU 79 lone 1 29 - 3 - HD3 LYS 34 - QG2 THR 74 lone 1 54 - 2 - HD3 LYS 86 - QG2 THR 74 lone 1 54 - 2 - HD3 LYS 86 - QD1 LEU 79 lone 1 29 - 3 - HD3 LYS 36 - QG2 THR 74 lone 1 40 - 2 - HB2 ARG 141 - QD1 LEU 79 lone 1 17 - 4 - HD3 LYS 34 - QD1 LEU 79 lone 1 29 - 2 - HB2 ARG 141 - QG2 THR 74 lone 0 33 - 1 - HD2 LYS 34 - QG2 THR 74 lone 0 33 - 1 - HD2 LYS 34 - QD1 LEU 79 lone 0 17 - 2 - Peak 2145 from aliabs.peaks (1.78, 0.79, 22.25 ppm; 2.78 A): 1 out of 21 assignments used, quality = 1.00: * HG LEU 72 + QD2 LEU 72 OK 100 100 - 100 - 2.1=100 HD2 LYS 34 - QD2 LEU 72 OK 25 85 - 30 - 2145=5, 1.8/2145=4...(12) HB3 MET 59 - QD2 LEU 72 OK 21 96 - 22 - 2145=4, 1.8/9949=3...(9) HG LEU 39 - QD2 LEU 72 OK 18 81 - 22 - 2145=3, 8134/3.9=3...(9) HG LEU 72 - QG2 THR 74 OK 10 65 - 16 - 3.7/2109=3, 3.0/2121=2...(6) HB3 ARG 145 - QD2 LEU 72 poor 10 92 - 11 - 2145=2, 2153/2.1=1 HB ILE 83 - QD2 LEU 72 poor 9 72 - 12 - ~11547=3, 2153/2.1=1 HB3 ARG 55 - QD2 LEU 72 lone 6 100 - 6 - HB ILE 83 - QD1 LEU 79 poor 6 21 - 31 - 8736/2.1=3, ~2518=3...(17) HG LEU 72 - QD1 LEU 79 poor 4 35 - 11 - 3.0/2121=2, 3.0/2130=2...(5) HB3 ARG 55 - QD1 LEU 79 lone 3 35 - 9 - ~2392=1, ~2384=1 HB ILE 83 - QG2 THR 74 lone 3 40 - 6 - ~11041=2, 11680/4.3=1 HG LEU 39 - QG2 THR 74 lone 1 46 - 2 - HB3 ARG 55 - QG2 THR 74 lone 1 65 - 2 - HB3 ARG 145 - QG2 THR 74 lone 1 54 - 2 - HB3 ARG 145 - QD1 LEU 79 lone 1 29 - 3 - HD2 LYS 34 - QG2 THR 74 lone 1 49 - 1 - HB3 MET 59 - QG2 THR 74 lone 1 59 - 1 - HG LEU 39 - QD1 LEU 79 lone 0 24 - 2 - HB3 MET 59 - QD1 LEU 79 lone 0 32 - 2 - HD2 LYS 34 - QD1 LEU 79 lone 0 26 - 2 - Peak 2146 from aliabs.peaks (0.79, 0.79, 22.25 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 72 + QD2 LEU 72 OK 100 100 - 100 QG2 THR 74 + QG2 THR 74 OK 52 52 - 100 QD1 LEU 79 - QD1 LEU 79 OK 29 29 - 100 Peak 2147 from aliabs.peaks (0.77, 0.79, 22.25 ppm; 2.50 A): 3 out of 15 assignments used, quality = 1.00: * QD1 LEU 72 + QD2 LEU 72 OK 100 100 - 100 - 2.1=100 QG2 VAL 73 + QD2 LEU 72 OK 54 100 - 54 - 2.1/9948=12, 3.9/2148=5...(19) QD1 LEU 108 + QD2 LEU 72 OK 47 98 - 48 - 2154=9, 2153/2.1=4...(23) QD1 ILE 136 - QD2 LEU 72 OK 39 96 - 40 - 2.1/4625=4, 2.5/4609=4...(20) QD2 LEU 108 - QD2 LEU 72 OK 38 81 - 46 - 2.1/2154=5, 3507/2.1=3...(27) QG2 VAL 73 - QG2 THR 74 OK 21 63 - 33 - 2184/4.0=8, ~8604=5...(10) QD1 LEU 72 - QG2 THR 74 OK 12 65 - 18 - 2154=3, 6779/4.0=2...(7) QG2 VAL 73 - QD1 LEU 79 poor 9 34 - 28 - ~8587=8, ~8739=5...(6) QD1 ILE 136 - QG2 THR 74 poor 8 59 - 14 - 4636/2.1=2, 4635/4.0=2 QD1 LEU 108 - QG2 THR 74 poor 7 61 - 12 - 2154=2, 3510/2.1=2 QD1 LEU 72 - QD1 LEU 79 poor 5 35 - 13 - 2154=3, 3.1/2121=1...(4) QD2 LEU 108 - QG2 THR 74 lone 4 46 - 9 - 3502/2.1=2, 2.1/2154=1 QD1 LEU 108 - QD1 LEU 79 lone 2 33 - 8 - 2154=2 QD1 ILE 136 - QD1 LEU 79 lone 2 32 - 7 - QD2 LEU 108 - QD1 LEU 79 lone 2 24 - 7 - Peak 2148 from aliabs.peaks (8.01, 0.79, 22.25 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.97: * H VAL 73 + QD2 LEU 72 OK 95 100 - 95 - 3.0/2141=22, 2148=21...(32) H VAL 73 + QG2 THR 74 OK 42 65 - 65 - 6769/4.3=14, 3.2/6782=12...(16) H VAL 73 - QD1 LEU 79 OK 18 35 - 50 - 8579/2.1=23, ~8601=8...(11) Peak 2149 from aliabs.peaks (8.60, 0.77, 26.47 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 72 + QD1 LEU 72 OK 98 100 - 98 - 4.9=51, 2141/2.1=28...(42) H LEU 72 + QD1 LEU 108 OK 56 90 - 62 - 3.0/2156=8, 8531/3.2=7...(26) Peak 2150 from aliabs.peaks (3.87, 0.77, 26.47 ppm; 3.66 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 72 + QD1 LEU 72 OK 99 100 - 99 - 3.8=90, 2109/2.1=23...(31) HA MET 68 + QD1 LEU 72 OK 77 96 - 80 - 3.7/9912=21, 2142/2.1=12...(29) HA LEU 72 + QD1 LEU 108 OK 60 90 - 66 - 2.9/2149=10, 2110=9...(29) HA LYS 36 - QD1 LEU 72 OK 26 96 - 27 - 3.6/9959=5, 6253/10227=3...(10) HA MET 68 - QD1 LEU 108 OK 22 84 - 26 - 3.7/9945=4, 8437=3...(8) HD2 PRO 118 - QD1 LEU 72 OK 16 81 - 20 - 3.0/9911=4, 2142/2.1=2...(5) HA LYS 36 - QD1 LEU 108 OK 16 84 - 19 - 3.6/9914=10, 3.8/10173=1 HD2 PRO 118 - QD1 LEU 108 lone 5 68 - 7 - Peak 2151 from aliabs.peaks (1.18, 0.77, 26.47 ppm; 2.79 A): 5 out of 12 assignments used, quality = 1.00: * HB2 LEU 72 + QD1 LEU 72 OK 91 100 - 91 - 3.1=70, 1.8/2152=13...(28) HB3 LEU 108 + QD1 LEU 108 OK 63 72 - 88 - 3.2=67, 3504/2.1=14...(18) QD1 LEU 69 + QD1 LEU 72 OK 59 100 - 59 - 8473=12, 2143/2.1=7...(26) QD1 LEU 69 + QD1 LEU 108 OK 49 90 - 55 - 8473/2.1=14, ~8477=12...(12) HB2 LEU 72 + QD1 LEU 108 OK 47 90 - 52 - 3.4/2149=5, 1.8/2131=4...(24) HB3 LEU 108 - QD1 LEU 72 OK 39 85 - 46 - 3.0/3510=4, 2143/2.1=4...(21) HG12 ILE 56 - QD1 LEU 108 OK 27 86 - 32 - 3504/2.1=4, ~10170=2...(17) QD1 LEU 26 - QD1 LEU 108 OK 12 51 - 23 - 3504/2.1=3, 10906/3.2=3...(11) QG2 THR 18 - QD1 LEU 108 lone 6 90 - 7 - 10856/3.8=2 QG2 THR 18 - QD1 LEU 72 lone 6 100 - 6 - HG12 ILE 56 - QD1 LEU 72 lone 6 98 - 6 - QD1 LEU 26 - QD1 LEU 72 lone 5 62 - 8 - 2143/2.1=1 Peak 2152 from aliabs.peaks (1.81, 0.77, 26.47 ppm; 3.11 A): 3 out of 22 assignments used, quality = 1.00: * HB3 LEU 72 + QD1 LEU 72 OK 99 100 - 99 - 3.1=97, 1.8/2151=17...(26) HB3 LEU 72 + QD1 LEU 108 OK 56 90 - 62 - 2131=7, 3.4/2149=6...(33) HB3 MET 68 + QD1 LEU 72 OK 46 68 - 68 - 2.9/9912=18, 4.2/8424=7...(30) HB2 LYS 24 - QD1 LEU 72 OK 37 94 - 40 - 10880/2.1=7, 9910=7...(15) HD3 LYS 34 - QD1 LEU 72 OK 32 92 - 34 - 1.8/2153=4, 2153=3...(14) HB2 ARG 124 - QD1 LEU 72 OK 29 100 - 29 - 2144/2.1=4, ~11609=4...(11) HG2 PRO 57 - QD1 LEU 72 OK 24 89 - 28 - 2153=4, 2145/2.1=3...(11) HB2 MET 11 - QD1 LEU 72 OK 20 92 - 21 - 2144/2.1=3, 2136/2.1=2...(7) HD2 LYS 34 - QD1 LEU 72 OK 16 62 - 25 - 1.8/2153=4, ~2145=2...(9) HD3 LYS 86 - QD1 LEU 72 OK 11 92 - 12 - 2144/2.1=2, 2136/2.1=1 HD3 LYS 36 - QD1 LEU 72 poor 9 72 - 12 - 2.9/10173=2, 2144/2.1=1 HB3 MET 68 - QD1 LEU 108 poor 8 55 - 14 - 2.9/9945=4, 4.2/8424=2...(5) HB2 ARG 141 - QD1 LEU 72 lone 5 62 - 8 - 1972/9912=1 HB2 ARG 141 - QD1 LEU 108 lone 5 51 - 9 - 3.0/9259=3 HB2 LYS 24 - QD1 LEU 108 lone 4 81 - 5 - HG2 PRO 57 - QD1 LEU 108 lone 4 75 - 5 - HB2 ARG 124 - QD1 LEU 108 lone 4 89 - 4 - HD3 LYS 36 - QD1 LEU 108 lone 4 60 - 6 - 6223/9914=1, 2.9/10173=1 HB2 MET 11 - QD1 LEU 108 lone 3 78 - 4 - HD3 LYS 34 - QD1 LEU 108 lone 3 78 - 4 - HD3 LYS 86 - QD1 LEU 108 lone 2 78 - 2 - HD2 LYS 34 - QD1 LEU 108 lone 1 51 - 2 - Peak 2153 from aliabs.peaks (1.78, 0.77, 26.47 ppm; 3.02 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 72 + QD1 LEU 72 OK 100 100 - 100 - 2.1=100 HG LEU 72 + QD1 LEU 108 OK 49 90 - 55 - 2.1/2154=7, 2139=5...(32) HD2 LYS 34 - QD1 LEU 72 OK 25 85 - 30 - 2145/2.1=4, 1.8/2152=2...(11) HB3 MET 59 - QD1 LEU 72 OK 23 96 - 24 - 2145/2.1=3, 1.8/9943=3...(12) HG LEU 39 - QD1 LEU 72 OK 21 81 - 26 - 4.7/10227=5, 8134/3.8=3...(9) HB3 MET 59 - QD1 LEU 108 OK 13 84 - 16 - 4.2/10232=3, ~9265=2...(7) HB ILE 83 - QD1 LEU 72 OK 11 72 - 15 - ~11547=4, 2145/2.1=1, 2120/3.1=1 HB3 ARG 145 - QD1 LEU 72 poor 10 92 - 11 - 2145/2.1=2, 2108/3.8=1 HB3 ARG 55 - QD1 LEU 72 lone 6 100 - 6 - HG LEU 39 - QD1 LEU 108 lone 4 68 - 6 - ~8112=2 HB3 ARG 55 - QD1 LEU 108 lone 3 90 - 4 - 4.4/10553=2 HD2 LYS 34 - QD1 LEU 108 lone 3 72 - 4 - HB ILE 83 - QD1 LEU 108 lone 2 60 - 4 - HB3 ARG 145 - QD1 LEU 108 lone 2 78 - 3 - Peak 2154 from aliabs.peaks (0.79, 0.77, 26.47 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 72 + QD1 LEU 72 OK 100 100 - 100 - 2.1=100 QD2 LEU 72 - QD1 LEU 108 OK 44 90 - 48 - 2147=7, 2.1/2153=4...(25) QD1 ILE 136 - QD1 LEU 72 OK 22 62 - 35 - 2.1/4625=4, 2.5/4609=4...(16) QG2 THR 74 - QD1 LEU 72 OK 16 89 - 18 - 4.0/6779=2, 2109/3.8=2...(7) QD2 LEU 95 - QD1 LEU 72 OK 15 96 - 15 - 10095/9912=2, 4.9/9913=2...(5) QD1 LEU 79 - QD1 LEU 72 OK 13 92 - 14 - 2121/3.1=1, 2130/3.1=1 QG2 THR 74 - QD1 LEU 108 poor 9 75 - 12 - 2.1/3510=2, 2147=1 QD1 LEU 79 - QD1 LEU 108 lone 8 78 - 10 - 9935/9916=1 QD1 ILE 136 - QD1 LEU 108 poor 6 51 - 11 - 2.5/4609=1, 2.1/4625=1...(4) QD2 LEU 95 - QD1 LEU 108 lone 4 84 - 4 - Peak 2155 from aliabs.peaks (0.77, 0.77, 26.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 72 + QD1 LEU 72 OK 100 100 - 100 QD1 LEU 108 + QD1 LEU 108 OK 86 86 - 100 Peak 2156 from aliabs.peaks (8.01, 0.77, 26.47 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.99: * H VAL 73 + QD1 LEU 72 OK 98 100 - 98 - 2148/2.1=29, 3.0/2149=27...(37) H VAL 73 + QD1 LEU 108 OK 62 90 - 69 - 3.0/2149=15, 11257/3.8=8...(25) Peak 2157 from aliabs.peaks (8.01, 3.20, 65.90 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.0=100 Peak 2158 from aliabs.peaks (3.20, 3.20, 65.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 73 + HA VAL 73 OK 100 100 - 100 Peak 2159 from aliabs.peaks (2.12, 3.20, 65.90 ppm; 5.73 A): 3 out of 5 assignments used, quality = 1.00: * HB VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.0=100 HB2 GLU 75 + HA VAL 73 OK 84 89 - 94 - 4.4/6802=24, 3.9/6789=22...(25) HB VAL 53 + HA VAL 73 OK 66 89 - 74 - 2.1/8240=25, ~8571=15...(19) HG2 GLN 111 - HA VAL 73 OK 37 94 - 39 - ~3649=6, 2175/3.2=5...(12) HG2 PRO 118 - HA VAL 73 OK 11 72 - 15 - 1398/8240=2, 2175/3.2=2...(6) Peak 2160 from aliabs.peaks (0.12, 3.20, 65.90 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.2=100 Peak 2161 from aliabs.peaks (0.77, 3.20, 65.90 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 73 + HA VAL 73 OK 100 100 - 100 - 3.2=100 QD1 LEU 72 + HA VAL 73 OK 80 100 - 80 - 2156/3.0=10, 2.1/9956=10...(37) QD1 ILE 136 - HA VAL 73 OK 39 100 - 40 - 9686/8583=8, 4635/3.6=6...(17) QD1 LEU 108 - HA VAL 73 OK 35 92 - 38 - 2156/3.0=6, 2177/3.2=4...(17) QD2 LEU 108 - HA VAL 73 OK 30 68 - 45 - 8798/8583=8...(23) Peak 2162 from aliabs.peaks (8.24, 3.20, 65.90 ppm; 5.71 A): 1 out of 1 assignment used, quality = 1.00: * H THR 74 + HA VAL 73 OK 100 100 - 100 - 3.6=100 Peak 2164 from aliabs.peaks (1.48, 3.20, 65.90 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.99: * HB2 LYS 76 + HA VAL 73 OK 95 100 - 95 - 4.0/6802=30...(26) HG LEU 126 + HA VAL 73 OK 63 72 - 88 - ~10249=43, ~10338=40...(13) HB3 LEU 29 + HA VAL 73 OK 47 92 - 51 - ~8580=21, 3.1/11040=14...(7) QB ALA 134 - HA VAL 73 OK 12 92 - 13 - ~9612=3, ~9649=3, 10321/2165=1 HB3 LEU 66 - HA VAL 73 OK 11 89 - 13 - 4302/11079=2...(4) HG3 LYS 86 - HA VAL 73 poor 9 77 - 12 - 1.8/10655=2, ~6760=2...(5) Peak 2165 from aliabs.peaks (1.86, 3.20, 65.90 ppm; 6.37 A): 3 out of 7 assignments used, quality = 1.00: HG LEU 69 + HA VAL 73 OK 95 100 - 95 - ~9922=37, 2.1/8461=26...(29) * HB3 LYS 76 + HA VAL 73 OK 93 100 - 93 - 4.0/6802=28...(25) HB3 LEU 126 + HA VAL 73 OK 83 100 - 83 - ~10249=33, ~10338=31...(13) HB3 LYS 85 - HA VAL 73 OK 29 94 - 30 - 11054/8583=6, 8597/3.2=4...(12) HB2 ARG 144 - HA VAL 73 OK 28 72 - 39 - ~4900=6, ~4918=5...(15) HB3 GLU 28 - HA VAL 73 OK 12 100 - 12 - 8592/3.2=3, 8597/3.2=3 HB2 LYS 48 - HA VAL 73 OK 11 85 - 13 - 8597/3.2=2, 8801/8583=2...(4) Peak 2166 from aliabs.peaks (4.35, 2.12, 30.80 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.91: * HA TYR 70 + HB VAL 73 OK 83 100 - 83 - 6754/4.0=36, 2060=35...(10) HB THR 51 + HB VAL 73 OK 33 72 - 46 - 2.1/8228=20, ~11040=12...(6) HA ILE 56 + HB VAL 73 OK 21 100 - 21 - 6771/4.7=5, 8566/2.1=5...(5) HA ILE 56 - HB VAL 53 poor 9 31 - 30 - 11305/2.1=27 HA TYR 70 - HB VAL 53 poor 8 32 - 24 - 11305/2.1=6, 2060=6...(6) HA PRO 12 - HB VAL 73 lone 6 72 - 8 - 6754/4.0=3, 6771/4.7=3 HB THR 51 - HB VAL 53 poor 2 18 - 11 - 8209/3.0=5, 11306/9867=2 HA PRO 12 - HB VAL 53 lone 0 18 - 2 - Peak 2168 from aliabs.peaks (3.20, 2.12, 30.80 ppm; 6.80 A): 3 out of 18 assignments used, quality = 1.00: * HA VAL 73 + HB VAL 73 OK 100 100 - 100 - 3.0=100 HD3 ARG 55 + HB VAL 73 OK 46 99 - 47 - 2174/2.1=7, 2180/2.1=7...(11) HD2 ARG 55 + HB VAL 73 OK 45 100 - 46 - ~2174=7, ~2174=7...(9) HA LEU 39 - HB VAL 73 OK 37 100 - 37 - ~8588=10, 2180/2.1=5...(10) HD3 ARG 144 - HB VAL 73 OK 31 81 - 38 - 6764/4.0=5, ~2180=5...(13) HA VAL 73 - HB VAL 53 OK 26 32 - 83 - 8240/2.1=31, ~8571=21...(18) HB3 TYR 117 - HB VAL 73 OK 23 62 - 38 - ~8565=30, 4.5/8571=2...(5) HG3 MET 46 - HB VAL 73 OK 22 68 - 33 - 3.3/10689=19, ~1071=4...(6) HG3 MET 46 - HB VAL 53 OK 16 17 - 94 - ~8241=27, ~10492=25...(17) HD2 ARG 141 - HB VAL 73 OK 15 100 - 14 - 2180/2.1=2, 2174/2.1=2...(5) HD3 ARG 141 - HB VAL 73 OK 14 96 - 14 - ~2180=2, ~2174=2...(6) HA LEU 39 - HB VAL 53 poor 7 32 - 22 - ~10759=7, 8240/2.1=6, 3.8/8114=4 HB3 TYR 117 - HB VAL 53 poor 5 15 - 33 - ~9808=8, ~9807=8...(6) HD2 ARG 55 - HB VAL 53 poor 4 32 - 13 - ~8240=3, ~8240=3, 8240/2.1=3 HD3 ARG 55 - HB VAL 53 poor 4 30 - 12 - 8240/2.1=4, ~8240=3, ~8240=2 HD3 ARG 144 - HB VAL 53 poor 3 21 - 14 - ~8240=4, ~8240=4, 8240/2.1=3 HD3 ARG 141 - HB VAL 53 lone 1 28 - 4 - HD2 ARG 141 - HB VAL 53 lone 1 31 - 4 - Peak 2169 from aliabs.peaks (2.12, 2.12, 30.80 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 73 + HB VAL 73 OK 100 100 - 100 HB VAL 53 - HB VAL 53 OK 24 24 - 100 Peak 2170 from aliabs.peaks (0.12, 2.12, 30.80 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 73 + HB VAL 73 OK 100 100 - 100 - 2.1=100 QG1 VAL 73 - HB VAL 53 OK 27 32 - 86 - ~8571=24, ~8240=22...(19) Peak 2171 from aliabs.peaks (0.77, 2.12, 30.80 ppm; 4.61 A): 4 out of 10 assignments used, quality = 1.00: * QG2 VAL 73 + HB VAL 73 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + HB VAL 73 OK 91 100 - 92 - ~9948=22, 2.1/11608=20...(33) QD1 LEU 108 + HB VAL 73 OK 59 92 - 64 - 3.8/10220=12...(27) QD1 ILE 136 + HB VAL 73 OK 54 100 - 54 - 4635/4.7=7, 2177/2.1=7...(16) QD2 LEU 108 - HB VAL 73 OK 41 68 - 61 - 4.0/10220=11...(28) QG2 VAL 73 - HB VAL 53 OK 20 32 - 65 - ~8571=12, ~8240=10...(17) QD1 LEU 108 - HB VAL 53 poor 5 26 - 18 - ~10175=4, ~3503=2...(7) QD2 LEU 108 - HB VAL 53 poor 3 17 - 17 - 10175/2.1=3, ~3487=2...(8) QD1 LEU 72 - HB VAL 53 lone 3 31 - 8 - 2151/9892=1 QD1 ILE 136 - HB VAL 53 lone 2 31 - 8 - 9667/3.0=2 Peak 2173 from aliabs.peaks (8.01, 0.12, 19.46 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 73 + QG1 VAL 73 OK 99 100 - 99 - 4.0=89, 2179/2.1=40...(29) Peak 2174 from aliabs.peaks (3.20, 0.12, 19.46 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 73 + QG1 VAL 73 OK 100 100 - 100 - 3.2=100 HD3 ARG 55 - QG1 VAL 73 OK 31 99 - 31 - 2174=7, 2180/2.1=5...(12) HD2 ARG 55 - QG1 VAL 73 OK 29 100 - 29 - 1.8/2174=5, 2174=5...(11) HA LEU 39 - QG1 VAL 73 OK 21 100 - 21 - 3.0/8588=4, 9987/8585=3...(6) HD3 ARG 144 - QG1 VAL 73 OK 19 81 - 23 - 2174=4, 1.8/2174=4...(9) HG3 MET 46 - QG1 VAL 73 poor 8 68 - 12 - ~10689=5, ~10489=2, 2180/2.1=1 HD2 ARG 141 - QG1 VAL 73 lone 7 100 - 6 - 2174=1, 2180/2.1=1 HB3 TYR 117 - QG1 VAL 73 poor 7 62 - 11 - 3.0/8565=7, 9407/8551=2 HD3 ARG 141 - QG1 VAL 73 lone 6 96 - 6 - 1.8/2174=1 Peak 2175 from aliabs.peaks (2.12, 0.12, 19.46 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 73 + QG1 VAL 73 OK 100 100 - 100 - 2.1=100 HB2 GLU 75 + QG1 VAL 73 OK 73 89 - 82 - 2175=18, 4.4/8552=17...(24) HB VAL 53 - QG1 VAL 73 OK 41 89 - 46 - ~8571=7, 2.1/10657=6...(14) HG2 GLN 111 - QG1 VAL 73 OK 26 94 - 27 - 2175=5, 2181/2.1=4...(13) HG2 PRO 118 - QG1 VAL 73 poor 8 72 - 11 - 3.8/8566=4, 2181/2.1=1 Peak 2176 from aliabs.peaks (0.12, 0.12, 19.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + QG1 VAL 73 OK 100 100 - 100 Peak 2177 from aliabs.peaks (0.77, 0.12, 19.46 ppm; 2.74 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 73 + QG1 VAL 73 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + QG1 VAL 73 OK 57 100 - 57 - 2177=10, 2.1/9948=8...(27) QD1 ILE 136 - QG1 VAL 73 OK 32 100 - 32 - 2177=6, 9686/9598=3...(15) QD1 LEU 108 - QG1 VAL 73 OK 30 92 - 33 - 2177=5, 2156/4.0=3...(11) QD2 LEU 108 - QG1 VAL 73 OK 23 68 - 34 - 8798/8585=6...(14) Peak 2178 from aliabs.peaks (8.24, 0.12, 19.46 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.99: * H THR 74 + QG1 VAL 73 OK 99 100 - 99 - 4.4=73, 2184/2.1=35...(27) Peak 2179 from aliabs.peaks (8.01, 0.77, 23.82 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.96: * H VAL 73 + QG2 VAL 73 OK 96 100 - 96 - 3.9=63, 6766/2.1=31...(21) Peak 2180 from aliabs.peaks (3.20, 0.77, 23.82 ppm; 3.40 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 73 + QG2 VAL 73 OK 100 100 - 100 - 3.2=100 HD3 ARG 55 - QG2 VAL 73 OK 28 99 - 29 - 2180=7, 2174/2.1=5...(10) HD2 ARG 55 - QG2 VAL 73 OK 26 100 - 26 - 1.8/2180=5, 2180=5...(9) HA LEU 39 - QG2 VAL 73 OK 21 100 - 21 - 3.6/9925=4, 2174/2.1=3...(7) HD3 ARG 144 - QG2 VAL 73 OK 19 81 - 23 - 2180=4, 1.8/2180=4...(10) HG3 MET 46 - QG2 VAL 73 poor 8 68 - 12 - ~10689=4, ~10489=2, 2174/2.1=1 HD2 ARG 141 - QG2 VAL 73 lone 7 100 - 7 - 2180=1 HD3 ARG 141 - QG2 VAL 73 lone 6 96 - 6 - 1.8/2180=1 HB3 TYR 117 - QG2 VAL 73 lone 6 62 - 10 - ~8565=6, 9407/8553=2 Peak 2181 from aliabs.peaks (2.12, 0.77, 23.82 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 73 + QG2 VAL 73 OK 100 100 - 100 - 2.1=100 HB2 GLU 75 + QG2 VAL 73 OK 68 89 - 77 - 2181=18, 2175/2.1=13...(20) HB VAL 53 - QG2 VAL 73 OK 39 89 - 44 - ~8571=7, ~8240=6...(16) HG2 GLN 111 - QG2 VAL 73 OK 24 94 - 25 - 2181=5, 2175/2.1=4...(10) HG2 PRO 118 - QG2 VAL 73 lone 7 72 - 10 - 3.8/8574=2, 2175/2.1=1 Peak 2182 from aliabs.peaks (0.12, 0.77, 23.82 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 73 + QG2 VAL 73 OK 100 100 - 100 - 2.1=100 Peak 2183 from aliabs.peaks (0.77, 0.77, 23.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 73 + QG2 VAL 73 OK 100 100 - 100 Peak 2184 from aliabs.peaks (8.24, 0.77, 23.82 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.99: * H THR 74 + QG2 VAL 73 OK 99 100 - 99 - 4.4=76, 6778/2.1=38...(24) Peak 2185 from aliabs.peaks (8.24, 3.41, 66.33 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H THR 74 + HA THR 74 OK 100 100 - 100 - 3.0=100 Peak 2186 from aliabs.peaks (3.41, 3.41, 66.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 74 + HA THR 74 OK 100 100 - 100 Peak 2187 from aliabs.peaks (3.71, 3.41, 66.33 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 74 + HA THR 74 OK 100 100 - 100 - 3.0=100 HA ILE 136 - HA THR 74 OK 36 94 - 38 - 6781/3.0=8, 2.9/2185=6...(15) HA ILE 91 - HA THR 74 OK 19 100 - 20 - 6781/3.0=3, 2198/3.2=3...(8) HA THR 107 - HA THR 74 OK 10 100 - 10 - 6781/3.0=2, 6792/3.6=1 Peak 2188 from aliabs.peaks (0.80, 3.41, 66.33 ppm; 3.64 A): 3 out of 6 assignments used, quality = 1.00: * QG2 THR 74 + HA THR 74 OK 100 100 - 100 - 3.2=100 QD2 LEU 126 + HA THR 74 OK 78 94 - 82 - 2.1/9493=26, ~9496=12...(30) QD1 LEU 79 + HA THR 74 OK 57 100 - 57 - 6782/3.0=8, 2.1/8603=8...(24) QD2 LEU 72 - HA THR 74 OK 31 89 - 35 - 2196/3.0=7, 9956/4.8=5...(12) QD2 LEU 95 - HA THR 74 OK 19 100 - 19 - 6793/3.6=2, 8700/8692=2...(6) QG1 VAL 80 - HA THR 74 OK 11 94 - 12 - 9959/8560=2, 4304/9493=2 Peak 2189 from aliabs.peaks (8.40, 3.41, 66.33 ppm; 5.89 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HA THR 74 OK 100 100 - 100 - 3.6=100 H TYR 117 - HA THR 74 OK 27 100 - 27 - 2195/3.0=6, 10300/8603=4...(9) Peak 2190 from aliabs.peaks (2.98, 3.71, 68.35 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.95: * HA VAL 71 + HB THR 74 OK 88 100 - 88 - 2083/4.0=45, 6786/4.7=26...(13) HA VAL 82 + HB THR 74 OK 49 81 - 60 - ~11037=14, 6772/4.0=13...(12) HB2 ASP 30 + HB THR 74 OK 13 92 - 14 - 11473/4.7=5, ~8607=2...(5) HB3 TYR 27 - HB THR 74 lone 6 81 - 7 - 6786/4.7=2, 6772/4.0=2 HB2 HIS 14 - HB THR 74 lone 3 96 - 3 - Peak 2191 from aliabs.peaks (8.24, 3.71, 68.35 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H THR 74 + HB THR 74 OK 100 100 - 100 - 4.0=100 Peak 2192 from aliabs.peaks (3.41, 3.71, 68.35 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 74 + HB THR 74 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 - HB THR 74 OK 37 100 - 37 - 2197/2.1=5, 6780/4.0=5...(15) HD2 PRO 98 - HB THR 74 lone 4 72 - 5 - Peak 2193 from aliabs.peaks (3.71, 3.71, 68.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 74 + HB THR 74 OK 100 100 - 100 Peak 2194 from aliabs.peaks (0.80, 3.71, 68.35 ppm; 3.10 A): 3 out of 6 assignments used, quality = 1.00: * QG2 THR 74 + HB THR 74 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 + HB THR 74 OK 64 94 - 68 - 2.1/9492=18, ~9493=10...(25) QD1 LEU 79 + HB THR 74 OK 45 100 - 45 - 2.1/8605=7, 2198=5...(21) QD2 LEU 72 - HB THR 74 OK 20 89 - 22 - 2196/4.0=4, 2188/3.0=2...(9) QD2 LEU 95 - HB THR 74 OK 13 100 - 13 - 2188/3.0=1, ~3148=1, 6793/4.7=1 QG1 VAL 80 - HB THR 74 lone 7 94 - 8 - 4304/9492=1 Peak 2195 from aliabs.peaks (8.40, 3.71, 68.35 ppm; 6.15 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HB THR 74 OK 100 100 - 100 - 4.7=100 H TYR 117 - HB THR 74 OK 24 100 - 24 - 2189/3.0=8, 10300/8605=4...(6) Peak 2196 from aliabs.peaks (8.24, 0.80, 22.30 ppm; 3.13 A): 4 out of 4 assignments used, quality = 0.93: * H THR 74 + QG2 THR 74 OK 77 100 - 77 - 4.0=47, 8610/3.0=12...(17) H THR 74 + QD2 LEU 72 OK 38 65 - 58 - 6779/2.1=7, 3.2/6762=6...(26) H THR 74 + QD2 LEU 126 OK 35 58 - 60 - 6782=14, 9496/2.1=14...(14) H THR 74 + QD1 LEU 79 OK 31 66 - 46 - 6782=11, 8601/2.1=9...(10) Peak 2197 from aliabs.peaks (3.41, 0.80, 22.30 ppm; 3.00 A): 3 out of 12 assignments used, quality = 0.95: * HA THR 74 + QG2 THR 74 OK 88 100 - 88 - 3.2=83, 3.0/6782=10...(10) HA THR 74 + QD2 LEU 126 OK 39 58 - 68 - 9493/2.1=19, 2188=12...(23) HB3 TYR 112 + QG2 THR 74 OK 33 100 - 33 - 2192/2.1=6, 2197=5...(13) HB3 TYR 112 - QD1 LEU 79 OK 31 66 - 47 - ~8717=10, ~8717=9...(11) HA THR 74 - QD1 LEU 79 OK 28 66 - 42 - 2188=8, 3.0/6782=6...(13) HB3 TYR 112 - QD2 LEU 126 OK 15 58 - 26 - ~9303=7, 9493/2.1=6...(7) HA THR 74 - QD2 LEU 72 OK 14 65 - 22 - 3.0/2196=5, 2188=3...(7) HB3 TYR 112 - QD2 LEU 72 poor 7 65 - 11 - 2.7/4712=2, 10183=1...(4) HD2 PRO 98 - QD1 LEU 79 poor 7 41 - 16 - 8727/2.1=3, 4.8/11419=3...(7) HD2 PRO 98 - QG2 THR 74 lone 3 72 - 5 - HD2 PRO 98 - QD2 LEU 72 lone 1 40 - 2 - HD2 PRO 98 - QD2 LEU 126 lone 1 35 - 2 - Peak 2198 from aliabs.peaks (3.71, 0.80, 22.30 ppm; 2.84 A): 1 out of 16 assignments used, quality = 1.00: * HB THR 74 + QG2 THR 74 OK 100 100 - 100 - 2.1=100 HA ILE 91 - QD2 LEU 72 OK 38 64 - 59 - 8962=9, 8962/2.1=7...(26) HB THR 74 - QD2 LEU 126 OK 35 58 - 61 - 9492/2.1=15, 2194=10...(24) HB THR 74 - QD1 LEU 79 OK 27 66 - 40 - 2194=7, 8605/2.1=5...(18) HA ILE 91 - QG2 THR 74 OK 21 100 - 21 - 4.2/8615=3, 2198=2...(9) HA ILE 136 - QG2 THR 74 OK 20 94 - 21 - 2198=4, 2187/3.2=3...(9) HA ILE 136 - QD2 LEU 72 OK 16 57 - 28 - 4597/2.1=4, 4597=3...(14) HB THR 74 - QD2 LEU 72 OK 12 65 - 18 - 2194=3, 4.0/2196=3...(7) HA ILE 91 - QD1 LEU 79 poor 8 66 - 12 - ~8737=2, 5.0/8957=1...(4) HA ILE 136 - QD1 LEU 79 poor 7 58 - 12 - ~9680=5, 2.9/2196=1, 2198=1 HA THR 107 - QG2 THR 74 lone 6 100 - 6 - 2198=1 HA THR 107 - QD2 LEU 72 lone 4 63 - 6 - HA THR 107 - QD1 LEU 79 lone 4 65 - 6 - ~9247=2 HA ILE 136 - QD2 LEU 126 lone 3 50 - 7 - 9492/2.1=2 HA ILE 91 - QD2 LEU 126 lone 3 57 - 4 - 9492/2.1=2 HA THR 107 - QD2 LEU 126 lone 1 56 - 2 - 9492/2.1=1 Peak 2199 from aliabs.peaks (0.80, 0.80, 22.30 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG2 THR 74 + QG2 THR 74 OK 100 100 - 100 QD1 LEU 79 + QD1 LEU 79 OK 66 66 - 100 QD2 LEU 72 + QD2 LEU 72 OK 52 52 - 100 QD2 LEU 126 + QD2 LEU 126 OK 50 50 - 100 Peak 2200 from aliabs.peaks (8.40, 0.80, 22.30 ppm; 4.01 A): 2 out of 8 assignments used, quality = 0.96: * H GLU 75 + QG2 THR 74 OK 94 100 - 94 - 4.3=79, 2195/2.1=23...(12) H GLU 75 + QD2 LEU 72 OK 43 65 - 66 - 2112/3.9=14...(20) H GLU 75 - QD2 LEU 126 OK 32 58 - 56 - ~9496=14, 6793=12...(9) H GLU 75 - QD1 LEU 79 OK 29 66 - 44 - 6793=10, 3.2/6782=9...(10) H TYR 117 - QD1 LEU 79 OK 24 66 - 36 - 10300/2.1=19...(8) H TYR 117 - QG2 THR 74 OK 16 100 - 16 - 2189/3.2=3, 2195/2.1=3...(6) H TYR 117 - QD2 LEU 72 poor 7 64 - 11 - 2112/3.9=3 H TYR 117 - QD2 LEU 126 poor 6 57 - 11 - 10300/2.1=5 Peak 2201 from aliabs.peaks (8.40, 3.98, 59.14 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 - 100 - 2.9=100 H TYR 117 - HA GLU 75 OK 27 100 - 27 - 2209/3.0=8, 2217/3.0=7...(5) Peak 2202 from aliabs.peaks (3.98, 3.98, 59.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 2203 from aliabs.peaks (2.13, 3.98, 59.14 ppm; 3.01 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.0=100 HB VAL 73 + HA GLU 75 OK 46 89 - 52 - 6795/2.9=10, 2219/3.0=7...(18) HG2 GLN 111 - HA GLU 75 OK 11 100 - 11 - 2219/3.0=2, ~3649=1...(4) HG3 PRO 118 - HA GLU 75 lone 3 62 - 5 - ~11707=1 HB VAL 53 - HA GLU 75 lone 3 100 - 3 - HB2 GLN 133 - HA GLU 75 lone 1 72 - 2 - HB3 GLN 133 - HA GLU 75 lone 1 68 - 2 - Peak 2204 from aliabs.peaks (1.98, 3.98, 59.14 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 - 100 - 3.0=100 HB2 GLU 142 - HA GLU 75 OK 29 98 - 30 - 2212/3.0=5, 2227/3.9=4...(12) HB3 ARG 124 - HA GLU 75 poor 9 62 - 14 - 6796/2.9=2, 2212/3.0=2...(5) HB ILE 56 - HA GLU 75 lone 8 89 - 9 - ~8623=4 HB3 MET 11 - HA GLU 75 lone 2 62 - 3 - Peak 2205 from aliabs.peaks (2.20, 3.98, 59.14 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.95: * HG2 GLU 75 + HA GLU 75 OK 95 100 - 95 - 3.9=59, 1.8/2232=23...(22) HB3 PRO 57 - HA GLU 75 OK 16 81 - 20 - ~11514=5, 2213/3.0=4...(7) HB2 MET 113 - HA GLU 75 OK 13 81 - 16 - 6797/2.9=4, 2221/3.0=3...(6) HB2 MET 46 - HA GLU 75 OK 12 89 - 14 - 2213/3.0=4, 2221/3.0=3...(5) Peak 2206 from aliabs.peaks (2.29, 3.98, 59.14 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.98: * HG3 GLU 75 + HA GLU 75 OK 97 100 - 97 - 3.9=62, 1.8/2225=30...(25) HG3 GLU 120 + HA GLU 75 OK 47 100 - 47 - 2232=9, 2214/3.0=6...(18) HG2 GLU 120 - HA GLU 75 OK 36 96 - 37 - 1.8/2232=7, 2232=6...(13) HG3 GLU 142 - HA GLU 75 OK 17 62 - 27 - 3.0/2204=6, ~4854=3...(12) HG3 GLU 81 - HA GLU 75 OK 12 99 - 12 - 6810/3.6=2, 2214/3.0=2...(6) HG2 GLU 131 - HA GLU 75 lone 3 62 - 5 - 6810/3.6=1 Peak 2208 from aliabs.peaks (3.87, 2.13, 28.78 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.86: * HA LEU 72 + HB2 GLU 75 OK 72 100 - 72 - 2113=19, 2114/1.8=18...(17) HA MET 68 + HB2 GLU 75 OK 27 96 - 28 - 2216/1.8=8, 8645/3.0=4...(7) HA LYS 36 + HB2 GLU 75 OK 20 96 - 21 - ~10517=11, 2216/1.8=6, ~10785=3 HD2 PRO 118 + HB2 GLU 75 OK 13 81 - 16 - 4.8/2209=4, 2216/1.8=4...(4) Peak 2209 from aliabs.peaks (8.40, 2.13, 28.78 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.9=100 H TYR 117 - HB2 GLU 75 OK 33 100 - 33 - 2217/1.8=9, 2224/3.0=7...(8) Peak 2210 from aliabs.peaks (3.98, 2.13, 28.78 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 HB3 SER 127 - HB2 GLU 75 OK 28 62 - 45 - 1.8/2208=8, 2218/1.8=8...(13) Peak 2211 from aliabs.peaks (2.13, 2.13, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 Peak 2212 from aliabs.peaks (1.98, 2.13, 28.78 ppm; 2.64 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 1.8=100 HB2 GLU 142 - HB2 GLU 75 OK 29 98 - 30 - 2227/3.0=4, 2204/3.0=3...(13) HB3 ARG 124 - HB2 GLU 75 poor 8 62 - 13 - ~4207=2, ~9775=1...(5) HB ILE 56 - HB2 GLU 75 lone 4 89 - 5 - HB3 MET 11 - HB2 GLU 75 lone 1 62 - 2 - Peak 2213 from aliabs.peaks (2.20, 2.13, 28.78 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.99: * HG2 GLU 75 + HB2 GLU 75 OK 99 100 - 99 - 3.0=94, 1.8/2233=24...(25) HB3 PRO 57 - HB2 GLU 75 OK 24 81 - 30 - 1.8/11514=7, 2221/1.8=5...(8) HB2 MET 46 - HB2 GLU 75 OK 20 89 - 22 - 4.2/10689=7, 2221/1.8=4...(7) HB2 MET 113 - HB2 GLU 75 OK 15 81 - 18 - 2221/1.8=4, 6797/3.9=2...(6) Peak 2214 from aliabs.peaks (2.29, 2.13, 28.78 ppm; 3.01 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 3.0=100 HG3 GLU 120 + HB2 GLU 75 OK 52 100 - 52 - 2233=8, 2222/1.8=7...(21) HG2 GLU 120 - HB2 GLU 75 OK 44 96 - 45 - 2222/1.8=6, 1.8/2233=6...(18) HG3 GLU 142 - HB2 GLU 75 OK 19 62 - 31 - 3.0/2212=5, ~4854=4...(12) HG3 GLU 81 - HB2 GLU 75 OK 15 99 - 15 - 2222/1.8=3, 2229/3.0=2...(7) HG2 GLU 131 - HB2 GLU 75 lone 3 62 - 4 - Peak 2216 from aliabs.peaks (3.87, 1.98, 28.78 ppm; 3.93 A): 4 out of 4 assignments used, quality = 0.89: * HA LEU 72 + HB3 GLU 75 OK 75 100 - 75 - 2114=24, 2208/1.8=21...(17) HA MET 68 + HB3 GLU 75 OK 31 96 - 32 - 2208/1.8=8, 8438/8638=7...(7) HA LYS 36 + HB3 GLU 75 OK 23 96 - 24 - ~10517=12, 2208/1.8=6, ~10785=4 HD2 PRO 118 + HB3 GLU 75 OK 15 81 - 18 - 4.8/2217=4, 2208/1.8=4...(4) Peak 2217 from aliabs.peaks (8.40, 1.98, 28.78 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.9=100 H TYR 117 - HB3 GLU 75 OK 32 100 - 32 - 2209/1.8=10, 2224/3.0=7...(6) Peak 2218 from aliabs.peaks (3.98, 1.98, 28.78 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.0=100 HB3 SER 127 - HB3 GLU 75 OK 28 62 - 46 - 2210/1.8=8, 1.8/2216=8...(13) Peak 2219 from aliabs.peaks (2.13, 1.98, 28.78 ppm; 2.61 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 1.8=100 HB VAL 73 - HB3 GLU 75 OK 41 89 - 46 - 2203/3.0=5, 2226/3.0=5...(20) HG2 GLN 111 - HB3 GLU 75 OK 10 100 - 10 - ~3649=1, ~3649=1...(5) HG3 PRO 118 - HB3 GLU 75 lone 3 62 - 5 - 2.3/2216=1 HB VAL 53 - HB3 GLU 75 lone 3 100 - 3 - HB2 GLN 133 - HB3 GLU 75 lone 2 72 - 3 - HB3 GLN 133 - HB3 GLU 75 lone 2 68 - 3 - Peak 2220 from aliabs.peaks (1.98, 1.98, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 Peak 2221 from aliabs.peaks (2.20, 1.98, 28.78 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.0=100 HB3 PRO 57 - HB3 GLU 75 OK 24 81 - 30 - ~11514=6, 2213/1.8=5...(10) HB2 MET 46 - HB3 GLU 75 OK 17 89 - 19 - 2213/1.8=5, 2205/3.0=2...(6) HB2 MET 113 - HB3 GLU 75 OK 15 81 - 19 - 2213/1.8=4, 6797/3.9=3...(7) Peak 2222 from aliabs.peaks (2.29, 1.98, 28.78 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 3.0=100 HG3 GLU 120 + HB3 GLU 75 OK 51 100 - 51 - 2214/1.8=7, 2234=7...(20) HG2 GLU 120 - HB3 GLU 75 OK 41 96 - 43 - 2214/1.8=6, 1.8/2234=5...(16) HG3 GLU 142 - HB3 GLU 75 OK 22 62 - 36 - 1.8/4854=6, 3.0/4847=5...(14) HG3 GLU 81 - HB3 GLU 75 OK 14 99 - 15 - 2214/1.8=3, 2229/3.0=2...(6) HG2 GLU 131 - HB3 GLU 75 lone 3 62 - 5 - Peak 2224 from aliabs.peaks (8.40, 2.20, 36.56 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 75 + HG2 GLU 75 OK 98 100 - 98 - 5.0=63, 2.9/2225=33...(22) H TYR 117 - HG2 GLU 75 OK 32 100 - 32 - 2209/3.0=8, 2217/3.0=8...(7) Peak 2225 from aliabs.peaks (3.98, 2.20, 36.56 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.94: * HA GLU 75 + HG2 GLU 75 OK 92 100 - 92 - 3.9=50, 2232/1.8=21...(21) HB3 SER 127 + HG2 GLU 75 OK 24 62 - 39 - 1.8/8645=8, 2232/1.8=7...(9) Peak 2226 from aliabs.peaks (2.13, 2.20, 36.56 ppm; 2.71 A): 1 out of 7 assignments used, quality = 0.95: * HB2 GLU 75 + HG2 GLU 75 OK 95 100 - 95 - 3.0=75, 2233/1.8=22...(25) HB VAL 73 - HG2 GLU 75 OK 35 89 - 40 - 2233/1.8=8, 2219/3.0=6...(16) HG2 GLN 111 - HG2 GLU 75 lone 9 100 - 9 - 2233/1.8=1, 2219/3.0=1...(4) HG3 PRO 118 - HG2 GLU 75 lone 3 62 - 5 - 2.3/8645=1 HB VAL 53 - HG2 GLU 75 lone 3 100 - 3 - HB2 GLN 133 - HG2 GLU 75 lone 3 72 - 4 - 3.0/8645=1 HB3 GLN 133 - HG2 GLU 75 lone 3 68 - 4 - 3.0/8645=1 Peak 2227 from aliabs.peaks (1.98, 2.20, 36.56 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 75 + HG2 GLU 75 OK 99 100 - 99 - 3.0=93, 1.8/2226=27...(28) HB2 GLU 142 - HG2 GLU 75 OK 30 98 - 31 - 2212/3.0=5, 2234/1.8=5...(10) HB3 ARG 124 - HG2 GLU 75 poor 9 62 - 14 - ~9775=3, 2234/1.8=2...(5) HB ILE 56 - HG2 GLU 75 lone 5 89 - 5 - HB3 MET 11 - HG2 GLU 75 lone 2 62 - 3 - Peak 2228 from aliabs.peaks (2.20, 2.20, 36.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 Peak 2229 from aliabs.peaks (2.29, 2.20, 36.56 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 75 + HG2 GLU 75 OK 100 100 - 100 - 1.8=100 HG3 GLU 120 - HG2 GLU 75 OK 33 100 - 33 - 2235=7, 4039/1.8=6...(11) HG2 GLU 120 - HG2 GLU 75 OK 26 96 - 27 - 2235=5, 1.8/2235=4...(12) HG3 GLU 142 - HG2 GLU 75 OK 12 62 - 19 - 3.0/2227=3, 2222/3.0=2...(5) HG3 GLU 81 - HG2 GLU 75 lone 9 99 - 9 - ~2460=1, 2214/3.0=1...(4) HG2 GLU 131 - HG2 GLU 75 lone 2 62 - 3 - Peak 2231 from aliabs.peaks (8.40, 2.29, 36.56 ppm; 4.37 A): 1 out of 6 assignments used, quality = 0.98: * H GLU 75 + HG3 GLU 75 OK 98 100 - 98 - 5.0=66, 2224/1.8=36...(19) H TYR 117 - HG3 GLU 75 OK 35 100 - 35 - 2224/1.8=10, 2209/3.0=8...(6) H GLU 75 - HG3 GLU 120 OK 34 74 - 46 - 2.9/2206=9, 6798/1.8=8...(10) H GLU 75 - HG2 GLU 120 OK 21 58 - 36 - 2.9/2206=7, 3.9/2214=7...(8) H TYR 117 - HG3 GLU 120 lone 4 73 - 5 - H TYR 117 - HG2 GLU 120 lone 3 57 - 6 - 3.9/11114=2 Peak 2232 from aliabs.peaks (3.98, 2.29, 36.56 ppm; 3.11 A): 1 out of 6 assignments used, quality = 0.94: * HA GLU 75 + HG3 GLU 75 OK 94 100 - 94 - 3.9=51, 2225/1.8=28...(25) HA GLU 75 - HG3 GLU 120 OK 32 74 - 43 - 2206=9, 2206/1.8=6...(18) HB3 SER 127 - HG3 GLU 75 OK 25 62 - 40 - 2225/1.8=8, 2218/3.0=6...(9) HA GLU 75 - HG2 GLU 120 OK 20 58 - 35 - 2206=7, 2206/1.8=7...(12) HB3 SER 127 - HG3 GLU 120 lone 1 39 - 3 - HB3 SER 127 - HG2 GLU 120 lone 1 29 - 3 - Peak 2233 from aliabs.peaks (2.13, 2.29, 36.56 ppm; 2.73 A): 1 out of 21 assignments used, quality = 0.96: * HB2 GLU 75 + HG3 GLU 75 OK 96 100 - 96 - 3.0=77, 2226/1.8=24...(25) HB VAL 73 - HG3 GLU 75 OK 37 89 - 42 - 2226/1.8=9, 2219/3.0=6...(17) HB2 GLU 75 - HG3 GLU 120 OK 33 74 - 45 - 2214=8, 1.8/2222=6...(17) HB2 GLU 75 - HG2 GLU 120 OK 22 58 - 39 - 2214=7, 2214/1.8=6...(14) HG2 GLN 111 - HG3 GLU 75 lone 10 100 - 10 - 2226/1.8=2, 2219/3.0=1...(4) HG3 PRO 118 - HG3 GLU 75 lone 4 62 - 6 - 2.3/8640=1 HB2 GLN 133 - HG3 GLU 75 lone 3 72 - 4 - HB VAL 53 - HG3 GLU 75 lone 3 100 - 3 - HB3 GLN 133 - HG3 GLU 75 lone 3 68 - 4 - HB VAL 73 - HG3 GLU 120 lone 2 59 - 3 - HB VAL 73 - HG2 GLU 120 lone 1 45 - 3 - HG2 GLN 111 - HG3 GLU 120 lone 1 73 - 1 - HB VAL 53 - HG3 GLU 120 lone 1 74 - 1 - HG2 GLN 111 - HG2 GLU 120 lone 1 57 - 1 - HB VAL 53 - HG2 GLU 120 lone 0 58 - 1 - HB2 GLN 133 - HG3 GLU 120 lone 0 46 - 1 - HB3 GLN 133 - HG3 GLU 120 lone 0 42 - 1 - HG3 PRO 118 - HG3 GLU 120 lone 0 39 - 1 - HB2 GLN 133 - HG2 GLU 120 lone 0 35 - 1 - HB3 GLN 133 - HG2 GLU 120 lone 0 32 - 1 - HG3 PRO 118 - HG2 GLU 120 lone 0 29 - 0 - Peak 2234 from aliabs.peaks (1.98, 2.29, 36.56 ppm; 2.88 A): 1 out of 15 assignments used, quality = 0.99: * HB3 GLU 75 + HG3 GLU 75 OK 99 100 - 99 - 3.0=90, 1.8/2233=24...(28) HB3 GLU 75 - HG3 GLU 120 OK 37 74 - 50 - 2222=10, 1.8/2214=7...(18) HB2 GLU 142 - HG3 GLU 75 OK 30 98 - 31 - 2227/1.8=7, 2212/3.0=5...(9) HB2 GLU 142 - HG3 GLU 120 OK 26 69 - 38 - 4842=10, 1.8/4849=7...(12) HB3 GLU 75 - HG2 GLU 120 OK 25 58 - 43 - 2222=8, 2222/1.8=7...(16) HB2 GLU 142 - HG2 GLU 120 OK 15 54 - 29 - 4842/1.8=8, ~4849=4...(11) HB3 ARG 124 - HG3 GLU 75 poor 9 62 - 15 - 3.0/9775=4, 2227/1.8=2...(5) HB ILE 56 - HG3 GLU 75 lone 6 89 - 6 - 10170/8642=2, 2227/1.8=1 HB3 MET 11 - HG3 GLU 75 lone 1 62 - 2 - HB3 ARG 124 - HG3 GLU 120 lone 1 39 - 3 - 3.0/9775=1 HB3 ARG 124 - HG2 GLU 120 lone 1 29 - 4 - HB ILE 56 - HG3 GLU 120 lone 1 59 - 1 - HB ILE 56 - HG2 GLU 120 lone 0 45 - 1 - HB3 MET 11 - HG3 GLU 120 lone 0 39 - 0 - HB3 MET 11 - HG2 GLU 120 lone 0 29 - 1 - Peak 2235 from aliabs.peaks (2.20, 2.29, 36.56 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HG2 GLU 75 + HG3 GLU 75 OK 100 100 - 100 - 1.8=100 HG2 GLU 75 - HG3 GLU 120 OK 26 74 - 35 - 2229=9, 2229/1.8=5...(11) HG2 GLU 75 - HG2 GLU 120 OK 17 58 - 30 - 2229=7, 2229/1.8=6...(12) HB3 PRO 57 - HG3 GLU 75 OK 17 81 - 21 - ~11514=3, 2213/3.0=3...(8) HB2 MET 113 - HG3 GLU 75 OK 11 81 - 13 - 2221/3.0=2, 2213/3.0=2...(5) HB2 MET 46 - HG3 GLU 75 OK 10 89 - 11 - 2213/3.0=2, 2221/3.0=2...(4) HB2 MET 46 - HG3 GLU 120 lone 6 59 - 10 - ~4017=1, 1052/3.0=1...(4) HB2 MET 46 - HG2 GLU 120 lone 4 45 - 9 - ~4017=1, 1052/3.0=1, ~4017=1 HB3 PRO 57 - HG3 GLU 120 lone 1 53 - 1 - HB2 MET 113 - HG3 GLU 120 lone 1 53 - 1 - HB3 PRO 57 - HG2 GLU 120 lone 0 40 - 1 - HB2 MET 113 - HG2 GLU 120 lone 0 40 - 1 - Peak 2236 from aliabs.peaks (2.29, 2.29, 36.56 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG3 GLU 120 + HG3 GLU 120 OK 74 74 - 100 HG2 GLU 120 + HG2 GLU 120 OK 52 52 - 100 Peak 2238 from aliabs.peaks (6.82, 4.16, 54.47 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 76 + HA LYS 76 OK 100 100 - 100 - 3.0=100 Peak 2239 from aliabs.peaks (4.16, 4.16, 54.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 76 + HA LYS 76 OK 100 100 - 100 Peak 2240 from aliabs.peaks (1.48, 4.16, 54.47 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HA LYS 76 OK 100 100 - 100 - 2.9=100 HB3 LEU 29 - HA LYS 76 OK 43 92 - 47 - 2264/2.9=5, 2286/4.1=5...(20) HG LEU 126 - HA LYS 76 OK 42 72 - 58 - 2.1/4299=8, 2.1/4307=7...(26) HB3 LEU 66 - HA LYS 76 OK 29 89 - 33 - ~9855=4, 2264/2.9=3...(17) QB ALA 134 - HA LYS 76 OK 27 92 - 29 - 4574=7, 10321/2.9=5...(11) HG3 LYS 86 - HA LYS 76 OK 12 77 - 15 - ~2708=2, ~2697=1...(6) Peak 2241 from aliabs.peaks (1.86, 4.16, 54.47 ppm; 3.85 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 76 + HA LYS 76 OK 100 100 - 100 - 2.9=100 HB3 LEU 126 + HA LYS 76 OK 75 100 - 75 - 4283=9, 1.8/4275=8...(36) HG LEU 69 + HA LYS 76 OK 60 100 - 61 - 2.1/2242=10, 6813/3.0=6...(21) HB3 LYS 85 + HA LYS 76 OK 59 94 - 63 - 2253/2.9=6, 2263=5...(32) HB3 GLU 28 - HA LYS 76 OK 21 100 - 21 - ~314=2, ~314=2...(12) HB2 LYS 48 - HA LYS 76 OK 17 85 - 20 - 2.9/2240=2, 2253/2.9=2...(4) HB2 ARG 144 - HA LYS 76 lone 6 72 - 8 - 6825/3.6=2 Peak 2242 from aliabs.peaks (1.17, 4.16, 54.47 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.99: * HG2 LYS 76 + HA LYS 76 OK 99 100 - 99 - 4.1=83, 3.0/2245=24...(38) QD1 LEU 69 - HA LYS 76 OK 35 68 - 52 - 2.1/2241=8, 2254/2.9=7...(19) QG2 THR 92 - HA LYS 76 OK 24 92 - 26 - 2254/2.9=6, 2266/2.9=4...(8) Peak 2243 from aliabs.peaks (1.53, 4.16, 54.47 ppm; 3.04 A): 2 out of 8 assignments used, quality = 0.96: * HG3 LYS 76 + HA LYS 76 OK 87 100 - 87 - 4.1=41, 3.0/2245=15...(34) HD2 LYS 76 + HA LYS 76 OK 66 81 - 80 - 1.8/2245=20, 5.4=18...(33) HG3 LYS 85 - HA LYS 76 OK 39 99 - 40 - 3.0/2241=4, 2618/2.9=4...(19) HG2 LYS 93 - HA LYS 76 OK 27 94 - 29 - 2286/2.9=3, 2288/4.1=3...(11) HB2 LEU 29 - HA LYS 76 OK 26 100 - 26 - 350/2.9=5, 1.8/2240=5...(12) QB ALA 135 - HA LYS 76 OK 16 98 - 16 - 4.0/4574=3, 2.9/7727=2...(5) HB2 GLU 122 - HA LYS 76 lone 6 99 - 6 - 4.7/7520=1 HG3 PRO 57 - HA LYS 76 lone 3 68 - 4 - Peak 2244 from aliabs.peaks (1.54, 4.16, 54.47 ppm; 3.04 A): 2 out of 10 assignments used, quality = 0.95: * HD2 LYS 76 + HA LYS 76 OK 83 100 - 83 - 1.8/2245=20, 2296=18...(33) HG3 LYS 76 + HA LYS 76 OK 70 81 - 85 - 4.1=41, 3.0/2245=15...(32) HG2 LYS 93 - HA LYS 76 OK 28 99 - 29 - 2256/2.9=3, 2285=3...(11) HG3 LYS 85 - HA LYS 76 OK 22 62 - 35 - 3.0/2241=4, 2267/2.9=3...(15) HB2 LEU 29 - HA LYS 76 OK 20 85 - 24 - 1.8/2240=5, 350/2.9=4...(11) QB ALA 135 - HA LYS 76 OK 16 96 - 16 - 4.0/4574=3, 2.9/7727=2...(7) HG3 ARG 55 - HA LYS 76 lone 6 72 - 9 - 9861/5.4=2 HG2 ARG 55 - HA LYS 76 lone 6 62 - 9 - 9861/5.4=2 HB3 LEU 79 - HA LYS 76 lone 5 98 - 6 - 8890/8652=3 HB2 GLU 122 - HA LYS 76 lone 3 62 - 5 - 4.7/7520=1 Peak 2245 from aliabs.peaks (1.36, 4.16, 54.47 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.95: * HD3 LYS 76 + HA LYS 76 OK 93 100 - 93 - 5.4=28, 1.8/2296=17...(39) HB3 ARG 49 + HA LYS 76 OK 31 99 - 32 - 2257/2.9=7, 2280/4.1=7...(8) Peak 2246 from aliabs.peaks (2.75, 4.16, 54.47 ppm; 4.19 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 76 + HA LYS 76 OK 95 100 - 95 - 6.2=30, 3.0/2245=27...(37) HE3 LYS 76 + HA LYS 76 OK 93 98 - 95 - 6.2=30, 3.0/2245=27...(37) HE2 LYS 114 - HA LYS 76 OK 19 94 - 20 - 2281/4.1=2, 2303/5.4=2...(10) HB3 ASP 137 - HA LYS 76 OK 17 100 - 17 - ~9710=4, ~9710=3...(7) HB3 PHE 43 - HA LYS 76 OK 13 81 - 16 - 2.7/2248=4, ~2272=3...(6) HG3 MET 113 - HA LYS 76 OK 13 92 - 14 - ~6809=2, 9328/8653=2...(7) HB2 PHE 38 - HA LYS 76 lone 7 85 - 8 - HB3 ASP 40 - HA LYS 76 lone 6 100 - 6 - HB2 ASN 96 - HA LYS 76 lone 5 77 - 7 - 3.5/2238=2 HB2 ASN 54 - HA LYS 76 lone 2 77 - 2 - HB3 ASP 16 - HA LYS 76 lone 1 72 - 1 - Peak 2247 from aliabs.peaks (2.76, 4.16, 54.47 ppm; 4.19 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HA LYS 76 OK 95 100 - 95 - 6.2=30, 3.0/2245=27...(37) HE2 LYS 76 + HA LYS 76 OK 93 98 - 95 - 6.2=30, 3.0/2245=27...(37) HE2 LYS 114 - HA LYS 76 OK 21 100 - 21 - 2282/4.1=3, 2304/5.4=3...(10) HB3 ASP 137 - HA LYS 76 OK 17 100 - 17 - ~9710=4, ~9710=3...(7) HG3 MET 113 - HA LYS 76 poor 9 72 - 12 - ~6809=2, 2258/2.9=1...(6) HB3 PHE 43 - HA LYS 76 poor 9 57 - 15 - 2.7/2248=4, ~2272=3...(6) HB2 PHE 38 - HA LYS 76 lone 8 98 - 8 - HB3 ASP 40 - HA LYS 76 lone 6 92 - 6 - HB2 ASP 41 - HA LYS 76 lone 3 81 - 4 - Peak 2248 from aliabs.peaks (7.36, 4.16, 54.47 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 77 + HA LYS 76 OK 100 100 - 100 - 3.6=100 QD PHE 43 - HA LYS 76 OK 21 62 - 33 - 2272/2.9=8, 9881/4.1=7...(11) Peak 2249 from aliabs.peaks (3.20, 1.48, 31.66 ppm; 5.90 A): 2 out of 9 assignments used, quality = 0.95: * HA VAL 73 + HB2 LYS 76 OK 92 100 - 92 - 6802/4.0=26...(25) HD3 ARG 55 + HB2 LYS 76 OK 35 99 - 36 - 2249=7, 2261/1.8=5...(10) HD2 ARG 55 - HB2 LYS 76 OK 34 100 - 34 - 1.8/2249=6, 2249=5...(9) HD3 ARG 144 - HB2 LYS 76 OK 18 81 - 22 - 1.8/2249=4, 2249=3...(7) HA LEU 39 - HB2 LYS 76 OK 13 100 - 13 - 9987/8655=5, 2261/1.8=2...(4) HD2 ARG 141 - HB2 LYS 76 lone 5 100 - 5 - HD3 ARG 141 - HB2 LYS 76 lone 5 96 - 5 - HG3 MET 46 - HB2 LYS 76 lone 2 68 - 3 - HB3 TYR 117 - HB2 LYS 76 lone 1 62 - 2 - Peak 2251 from aliabs.peaks (4.16, 1.48, 31.66 ppm; 4.24 A): 4 out of 8 assignments used, quality = 1.00: * HA LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 2.9=100 HA LEU 126 + HB2 LYS 76 OK 74 94 - 79 - 4270=13, 2263/1.8=11...(31) HB3 SER 44 + HB2 LYS 76 OK 47 100 - 47 - 2251=5, 2274/3.0=5...(17) HB2 SER 44 + HB2 LYS 76 OK 46 99 - 47 - 2251=5, 2274/3.0=5...(17) HA3 GLY 125 - HB2 LYS 76 OK 33 100 - 33 - 3.6/7577=7, 3.0/9489=5...(12) HA GLU 120 - HB2 LYS 76 OK 24 92 - 26 - 4013=7, 2263/1.8=2...(9) HA GLU 131 - HB2 LYS 76 OK 24 77 - 31 - 4439=4, 2263/1.8=3...(14) HA PHE 38 - HB2 LYS 76 poor 10 72 - 13 - 2274/3.0=1 Peak 2252 from aliabs.peaks (1.48, 1.48, 31.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 76 + HB2 LYS 76 OK 100 100 - 100 Peak 2253 from aliabs.peaks (1.86, 1.48, 31.66 ppm; 4.45 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 1.8=100 HB3 LEU 126 + HB2 LYS 76 OK 90 100 - 90 - 4286=13, 1.8/4278=11...(43) HG LEU 69 + HB2 LYS 76 OK 85 100 - 85 - 2.1/2254=11, 2033/3.0=10...(34) HB3 LYS 85 + HB2 LYS 76 OK 82 94 - 87 - 2253=9, 2241/2.9=8...(50) HB3 GLU 28 - HB2 LYS 76 OK 37 100 - 37 - ~314=4, ~314=4, 2253=3...(16) HB2 LYS 48 - HB2 LYS 76 OK 31 85 - 35 - 2253=3, 3.0/1141=2...(21) HB2 ARG 144 - HB2 LYS 76 OK 11 72 - 15 - 6825/4.6=2, 4.0/2249=2...(4) Peak 2254 from aliabs.peaks (1.17, 1.48, 31.66 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HB2 LYS 76 OK 54 68 - 80 - 2266/1.8=10, 2254=9...(33) QG2 THR 92 - HB2 LYS 76 OK 44 92 - 48 - 2299/3.5=6, 2266/1.8=6...(16) Peak 2255 from aliabs.peaks (1.53, 1.48, 31.66 ppm; 3.28 A): 5 out of 8 assignments used, quality = 1.00: * HG3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 3.0=100 HD2 LYS 76 + HB2 LYS 76 OK 80 81 - 98 - 3.5=79, 1.8/2308=13...(59) HG3 LYS 85 + HB2 LYS 76 OK 64 99 - 65 - 2618/1.8=6, 2255=5...(35) HB2 LEU 29 + HB2 LYS 76 OK 63 100 - 63 - 350=8, 3.2/374=5...(30) HG2 LYS 93 + HB2 LYS 76 OK 56 94 - 59 - 2286=6, 2288/3.0=5...(33) QB ALA 135 - HB2 LYS 76 OK 24 98 - 25 - 10442/8655=3, 2255=2...(11) HB2 GLU 122 - HB2 LYS 76 OK 17 99 - 17 - 11037/8655=5, 4.7/7531=3 HG3 PRO 57 - HB2 LYS 76 lone 7 68 - 10 - Peak 2256 from aliabs.peaks (1.54, 1.48, 31.66 ppm; 3.28 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 76 + HB2 LYS 76 OK 98 100 - 98 - 3.5=79, 1.8/2308=13...(61) HG3 LYS 76 + HB2 LYS 76 OK 81 81 - 100 - 3.0=100 HG2 LYS 93 + HB2 LYS 76 OK 58 99 - 59 - 2286=6, 2291/3.5=5...(33) HB2 LEU 29 + HB2 LYS 76 OK 52 85 - 61 - 350=6, 3.2/374=5...(29) HG3 LYS 85 - HB2 LYS 76 OK 38 62 - 61 - 2255=5, ~2607=4...(31) QB ALA 135 - HB2 LYS 76 OK 24 96 - 25 - 10442/8655=3, 2255=2...(11) HG3 ARG 55 - HB2 LYS 76 OK 11 72 - 15 - 9861/3.5=4, 3.0/2249=2 HG2 ARG 55 - HB2 LYS 76 poor 10 62 - 16 - 9861/3.5=4, 3.0/2249=2...(4) HB3 LEU 79 - HB2 LYS 76 lone 9 98 - 9 - 8890/8654=4, 9599/8655=2 HB2 GLU 122 - HB2 LYS 76 poor 8 62 - 13 - 4.7/7531=3, 11037/8655=2 Peak 2257 from aliabs.peaks (1.36, 1.48, 31.66 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 ARG 49 + HB2 LYS 76 OK 60 99 - 61 - 2280/3.0=14, 2257=13...(10) Peak 2258 from aliabs.peaks (2.75, 1.48, 31.66 ppm; 5.95 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 5.1=100 HE3 LYS 76 + HB2 LYS 76 OK 98 98 - 100 - 5.1=100 HE2 LYS 114 - HB2 LYS 76 OK 36 94 - 38 - 2303/3.5=6, 2314/3.5=6...(12) HG3 MET 113 - HB2 LYS 76 OK 32 92 - 35 - 9328/8655=13, 2303/3.5=3...(11) HB3 PHE 43 - HB2 LYS 76 OK 27 81 - 33 - ~9881=8, ~2272=7...(11) HB3 ASP 137 - HB2 LYS 76 OK 26 100 - 26 - 1.8/9710=8, 9707=4...(9) HB2 PHE 38 - HB2 LYS 76 OK 14 85 - 16 - 2282/3.0=2, 2271/1.8=2...(8) HB3 ASP 40 - HB2 LYS 76 OK 13 100 - 13 - 2281/3.0=1, 2303/3.5=1...(6) HB2 ASN 96 - HB2 LYS 76 poor 10 77 - 12 - 3.5/2250=3, 2281/3.0=2 HB2 ASN 54 - HB2 LYS 76 lone 5 77 - 6 - HB3 ASP 16 - HB2 LYS 76 lone 2 72 - 3 - Peak 2259 from aliabs.peaks (2.76, 1.48, 31.66 ppm; 5.95 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HB2 LYS 76 OK 100 100 - 100 - 5.1=100 HE2 LYS 76 + HB2 LYS 76 OK 98 98 - 100 - 5.1=100 HE2 LYS 114 - HB2 LYS 76 OK 40 100 - 40 - 2304/3.5=6, 2315/3.5=6...(13) HB3 ASP 137 - HB2 LYS 76 OK 27 100 - 27 - 1.8/9710=8, 9707=3...(8) HG3 MET 113 - HB2 LYS 76 OK 21 72 - 29 - 9328/8655=9, 2303/3.5=3...(11) HB3 PHE 43 - HB2 LYS 76 OK 19 57 - 33 - ~9881=8, ~2272=7...(11) HB2 PHE 38 - HB2 LYS 76 OK 17 98 - 17 - 2282/3.0=2, 2271/1.8=2...(8) HB3 ASP 40 - HB2 LYS 76 OK 12 92 - 13 - 2281/3.0=1, 2303/3.5=1...(6) HB2 ASP 41 - HB2 LYS 76 lone 8 81 - 10 - Peak 2261 from aliabs.peaks (3.20, 1.86, 31.66 ppm; 6.80 A): 2 out of 18 assignments used, quality = 0.96: * HA VAL 73 + HB3 LYS 76 OK 94 100 - 94 - 6802/4.0=30...(25) HD3 ARG 55 + HB3 LYS 76 OK 36 99 - 37 - 2249/1.8=8, ~2249=7...(12) HD2 ARG 55 - HB3 LYS 76 OK 35 100 - 35 - 2249/1.8=8, ~2249=7...(11) HA VAL 73 - HB3 LYS 85 OK 21 64 - 33 - 8583/11054=6, 2165=4...(12) HA LEU 39 - HB3 LYS 76 OK 20 100 - 20 - 9987/8657=6...(5) HD3 ARG 144 - HB3 LYS 76 OK 16 81 - 19 - 2249/1.8=4, ~2249=3...(4) HD3 ARG 144 - HB3 LYS 85 poor 8 45 - 17 - ~4913=2, ~4796=2...(7) HD2 ARG 141 - HB3 LYS 76 lone 8 100 - 8 - 2249/1.8=1, ~2249=1 HA LEU 39 - HB3 LYS 85 poor 7 64 - 11 - 3.6/2593=4, 9987/11054=2 HD2 ARG 141 - HB3 LYS 85 poor 7 64 - 10 - ~4805=1 HD3 ARG 141 - HB3 LYS 76 lone 7 96 - 7 - 2249/1.8=1, ~2249=1 HD3 ARG 141 - HB3 LYS 85 lone 6 58 - 10 - ~4805=1 HD3 ARG 55 - HB3 LYS 85 lone 5 61 - 8 - HD2 ARG 55 - HB3 LYS 85 lone 5 64 - 8 - HB3 TYR 117 - HB3 LYS 76 lone 3 62 - 5 - 9407/4709=2 HG3 MET 46 - HB3 LYS 76 lone 3 68 - 4 - HG3 MET 46 - HB3 LYS 85 lone 3 36 - 7 - ~8861=2, ~8861=2 HB3 TYR 117 - HB3 LYS 85 lone 1 33 - 3 - Peak 2263 from aliabs.peaks (4.16, 1.86, 31.66 ppm; 3.78 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 2.9=100 HA LEU 126 + HB3 LYS 76 OK 67 94 - 71 - 4269=11, 4270/1.8=8...(31) HA LYS 76 - HB3 LYS 85 OK 40 64 - 62 - 2241=10, 2.9/2253=5...(32) HB3 SER 44 - HB3 LYS 76 OK 36 100 - 36 - 2251/1.8=4, 2274/3.0=4...(16) HB2 SER 44 - HB3 LYS 76 OK 36 99 - 36 - 2251/1.8=4, 2274/3.0=4...(16) HA LEU 126 - HB3 LYS 85 OK 21 56 - 38 - 4269=6, ~11084=3...(17) HA GLU 120 - HB3 LYS 76 OK 19 92 - 21 - 4013/1.8=5, 3.8/11604=2...(7) HA3 GLY 125 - HB3 LYS 76 OK 19 100 - 19 - ~9489=3, 2251/1.8=3...(9) HA GLU 131 - HB3 LYS 76 OK 17 77 - 22 - 4439/1.8=4, ~4448=2...(12) HA PHE 38 - HB3 LYS 76 poor 8 72 - 11 - HA GLU 120 - HB3 LYS 85 lone 4 54 - 8 - ~8864=2, 4012/3.0=1, 3.8/11604=1 HB3 SER 44 - HB3 LYS 85 lone 3 63 - 5 - HB2 SER 44 - HB3 LYS 85 lone 3 61 - 5 - HA GLU 131 - HB3 LYS 85 lone 2 42 - 5 - ~9556=1 HA3 GLY 125 - HB3 LYS 85 lone 2 64 - 3 - HA PHE 38 - HB3 LYS 85 lone 1 39 - 3 - Peak 2264 from aliabs.peaks (1.48, 1.86, 31.66 ppm; 3.03 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 1.8=100 HB3 LEU 29 + HB3 LYS 76 OK 55 92 - 60 - 2286/3.0=5, 2297/3.5=5...(35) HG LEU 126 - HB3 LYS 76 OK 39 72 - 55 - 2.1/4301=7, 2.1/4309=5...(31) HB2 LYS 76 - HB3 LYS 85 OK 37 64 - 58 - 2253=6, 2.9/2241=4...(31) HB3 LEU 66 - HB3 LYS 76 OK 27 89 - 31 - 2275/3.0=3, ~9891=3...(18) QB ALA 134 - HB3 LYS 76 OK 21 92 - 23 - 4574/2.9=4, 10321=4...(11) HG3 LYS 86 - HB3 LYS 76 OK 13 77 - 17 - ~2708=2, 4.9/6972=2...(7) HG3 LYS 86 - HB3 LYS 85 OK 12 42 - 28 - 6983/4.6=6, 2720/1.8=4...(12) HB3 LEU 29 - HB3 LYS 85 OK 11 54 - 20 - ~10042=4, 357/3.0=2...(6) HG LEU 126 - HB3 LYS 85 poor 9 39 - 22 - 2.1/4301=3, 2.1/4309=2...(7) QB ALA 134 - HB3 LYS 85 lone 4 54 - 8 - 10321=2 HB3 LEU 66 - HB3 LYS 85 lone 4 51 - 7 - Peak 2265 from aliabs.peaks (1.86, 1.86, 31.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 HB3 LYS 85 + HB3 LYS 85 OK 56 56 - 100 Peak 2266 from aliabs.peaks (1.17, 1.86, 31.66 ppm; 4.19 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 + HB3 LYS 76 OK 54 68 - 81 - 2.1/2048=11, 2254/1.8=10...(35) HG2 LYS 76 + HB3 LYS 85 OK 52 64 - 81 - 2276=10, 3.0/2298=7...(45) QG2 THR 92 - HB3 LYS 76 OK 42 92 - 46 - 2254/1.8=8, 2299/3.5=6...(15) QD1 LEU 69 - HB3 LYS 85 OK 11 36 - 31 - 2.1/2048=3, 3.2/2015=3...(14) QG2 THR 92 - HB3 LYS 85 lone 5 54 - 9 - ~9016=2 Peak 2267 from aliabs.peaks (1.53, 1.86, 31.66 ppm; 3.13 A): 6 out of 16 assignments used, quality = 1.00: * HG3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 3.0=100 HD2 LYS 76 + HB3 LYS 76 OK 79 81 - 97 - 3.5=69, 2297/1.8=12...(59) HG3 LYS 85 + HB3 LYS 85 OK 61 61 - 100 - 3.0=100 HG3 LYS 85 + HB3 LYS 76 OK 57 99 - 58 - 2618=7, 1.8/2607=6...(27) HB2 LEU 29 + HB3 LYS 76 OK 56 100 - 56 - 350/1.8=8, 1.8/2264=6...(29) HG2 LYS 93 + HB3 LYS 76 OK 50 94 - 53 - 2288/3.0=5, 2286/1.8=5...(31) HG3 LYS 76 - HB3 LYS 85 OK 39 64 - 61 - 2287=6, 2586/1.8=5...(35) HG2 LYS 93 - HB3 LYS 85 OK 34 56 - 61 - 2609/3.0=6, 3051/1.8=6...(40) HD2 LYS 76 - HB3 LYS 85 OK 22 45 - 49 - 1.8/2309=5, 2298=4...(26) QB ALA 135 - HB3 LYS 76 OK 19 98 - 19 - 4.0/10321=3, 2255/1.8=2...(9) HB2 LEU 29 - HB3 LYS 85 OK 15 64 - 24 - ~10042=4, 2586/1.8=2...(9) HB2 GLU 122 - HB3 LYS 76 lone 8 99 - 8 - 2255/1.8=1 QB ALA 135 - HB3 LYS 85 poor 6 60 - 10 - 6962/3.9=2, 4.0/10321=1...(4) HG3 PRO 57 - HB3 LYS 76 lone 5 68 - 8 - HG3 PRO 57 - HB3 LYS 85 poor 5 36 - 13 - ~8861=2, 2586/1.8=1, 2574/2.9=1 HB2 GLU 122 - HB3 LYS 85 lone 4 61 - 7 - 2586/1.8=1 Peak 2268 from aliabs.peaks (1.54, 1.86, 31.66 ppm; 3.13 A): 4 out of 20 assignments used, quality = 1.00: * HD2 LYS 76 + HB3 LYS 76 OK 97 100 - 97 - 3.5=69, 2297/1.8=17...(61) HG3 LYS 76 + HB3 LYS 76 OK 81 81 - 100 - 3.0=100 HG2 LYS 93 + HB3 LYS 76 OK 52 99 - 53 - 2256/1.8=5, 2291/3.5=4...(31) HB2 LEU 29 + HB3 LYS 76 OK 47 85 - 55 - 350/1.8=6, 1.8/2264=6...(28) HG2 LYS 93 - HB3 LYS 85 OK 37 61 - 60 - 3051/1.8=6, ~3062=5...(40) HG3 LYS 85 - HB3 LYS 85 OK 33 33 - 100 - 3.0=100 HG3 LYS 85 - HB3 LYS 76 OK 33 62 - 52 - 1.8/2607=6, 3.0/2584=4...(24) HD2 LYS 76 - HB3 LYS 85 OK 32 64 - 50 - 2298=6, 1.8/2309=5...(25) HG3 LYS 76 - HB3 LYS 85 OK 25 45 - 55 - 1.8/2276=5, 2287=4...(32) QB ALA 135 - HB3 LYS 76 OK 19 96 - 19 - 4.0/10321=3, 2256/1.8=2...(10) HB2 LEU 29 - HB3 LYS 85 OK 10 48 - 21 - ~10042=4, ~10043=2...(7) HG3 ARG 55 - HB3 LYS 76 poor 9 72 - 12 - 9861/3.5=3, ~2249=1, ~2249=1 HG2 ARG 55 - HB3 LYS 76 poor 8 62 - 12 - 9861/3.5=4, ~2249=1, ~2249=1 HB3 LEU 79 - HB3 LYS 85 poor 6 60 - 10 - 8890/8891=2, 3.0/2597=2, ~2585=2 HB3 LEU 79 - HB3 LYS 76 lone 6 98 - 6 - 8890/8891=2 QB ALA 135 - HB3 LYS 85 lone 6 58 - 10 - 6962/3.9=2, 4.0/10321=1 HB2 GLU 122 - HB3 LYS 76 lone 4 62 - 7 - HB2 GLU 122 - HB3 LYS 85 lone 2 33 - 6 - HG3 ARG 55 - HB3 LYS 85 lone 1 39 - 2 - HG2 ARG 55 - HB3 LYS 85 lone 0 33 - 1 - Peak 2269 from aliabs.peaks (1.36, 1.86, 31.66 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 ARG 49 + HB3 LYS 76 OK 46 99 - 47 - 2280/3.0=11, 2257/1.8=11...(8) HD3 LYS 76 - HB3 LYS 85 OK 40 64 - 63 - 2309=10, 1.8/2298=8...(27) HB3 ARG 49 - HB3 LYS 85 lone 4 61 - 6 - Peak 2270 from aliabs.peaks (2.75, 1.86, 31.66 ppm; 5.29 A): 3 out of 22 assignments used, quality = 1.00: * HE2 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 5.1=100 HE3 LYS 76 + HB3 LYS 76 OK 98 98 - 100 - 5.1=100 HE2 LYS 76 + HB3 LYS 85 OK 45 64 - 71 - 3.0/2269=9, 3.0/2298=9...(32) HE3 LYS 76 - HB3 LYS 85 OK 42 60 - 70 - 3.0/2269=9, 3.0/2298=9...(30) HE2 LYS 114 - HB3 LYS 76 OK 35 94 - 37 - 2303/3.5=6, 2314/3.5=5...(13) HB3 ASP 137 - HB3 LYS 76 OK 30 100 - 30 - ~9710=7, ~9710=7...(9) HB3 PHE 43 - HB3 LYS 76 OK 24 81 - 29 - 2.7/2272=8, ~9881=6...(10) HB3 ASP 40 - HB3 LYS 85 OK 19 63 - 30 - 8862/2.9=4, ~2581=4...(10) HG3 MET 113 - HB3 LYS 76 OK 18 92 - 20 - 2303/3.5=3, 2258/1.8=3...(7) HB2 PHE 38 - HB3 LYS 76 OK 13 85 - 15 - 2282/3.0=2, 2259/1.8=2...(5) HB3 ASP 40 - HB3 LYS 76 OK 12 100 - 12 - 2281/3.0=1, 2258/1.8=1...(5) HB2 ASN 96 - HB3 LYS 76 poor 9 77 - 12 - 3.5/2262=3, 2281/3.0=2 HB2 ASN 96 - HB3 LYS 85 poor 9 42 - 21 - 8862/2.9=6, 8864/3.0=5...(6) HB2 ASN 54 - HB3 LYS 85 poor 8 42 - 18 - ~2579=3, ~10046=3...(8) HG3 MET 113 - HB3 LYS 85 poor 7 54 - 13 - 8862/2.9=3, 8864/3.0=2...(5) HB3 ASP 137 - HB3 LYS 85 lone 6 64 - 9 - 8864/3.0=3, 8862/2.9=2 HE2 LYS 114 - HB3 LYS 85 lone 4 56 - 8 - HB2 ASN 54 - HB3 LYS 76 lone 4 77 - 5 - HB2 PHE 38 - HB3 LYS 85 lone 3 48 - 6 - 6954/3.9=2, 8864/3.0=1 HB3 PHE 43 - HB3 LYS 85 lone 3 45 - 6 - 8862/2.9=1 HB3 ASP 16 - HB3 LYS 76 lone 1 72 - 2 - HB3 ASP 16 - HB3 LYS 85 lone 1 39 - 2 - Peak 2271 from aliabs.peaks (2.76, 1.86, 31.66 ppm; 5.29 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 76 + HB3 LYS 76 OK 100 100 - 100 - 5.1=100 HE2 LYS 76 + HB3 LYS 76 OK 98 98 - 100 - 5.1=100 HE3 LYS 76 - HB3 LYS 85 OK 45 64 - 70 - 3.0/2269=9, 3.0/2298=9...(30) HE2 LYS 76 - HB3 LYS 85 OK 42 60 - 70 - 3.0/2269=9, 3.0/2298=9...(30) HE2 LYS 114 - HB3 LYS 76 OK 39 100 - 39 - 2304/3.5=6, 2315/3.5=6...(13) HB3 ASP 137 - HB3 LYS 76 OK 30 100 - 30 - ~9710=7, ~9710=7...(9) HB3 PHE 43 - HB3 LYS 76 OK 16 57 - 28 - 2.7/2272=8, ~9881=6...(10) HB2 PHE 38 - HB3 LYS 76 OK 16 98 - 16 - 2282/3.0=2, 2259/1.8=2...(6) HB3 ASP 40 - HB3 LYS 85 OK 14 54 - 27 - ~2581=4, 3.3/2593=4...(9) HG3 MET 113 - HB3 LYS 76 OK 13 72 - 18 - 2303/3.5=3, 2314/3.5=3...(7) HB3 ASP 40 - HB3 LYS 76 OK 11 92 - 12 - 2281/3.0=1, 2303/3.5=1...(5) HB2 ASP 41 - HB3 LYS 76 lone 7 81 - 8 - HB3 ASP 137 - HB3 LYS 85 lone 5 63 - 9 - 8862/2.9=2, 8864/3.0=2 HE2 LYS 114 - HB3 LYS 85 lone 5 64 - 8 - HB2 PHE 38 - HB3 LYS 85 lone 4 60 - 7 - 8864/3.0=2, 6954/3.9=2 HG3 MET 113 - HB3 LYS 85 lone 4 39 - 10 - 8862/2.9=2, 8864/3.0=1, ~8861=1 HB2 ASP 41 - HB3 LYS 85 lone 2 45 - 4 - 6955/3.9=1 HB3 PHE 43 - HB3 LYS 85 lone 1 30 - 4 - Peak 2274 from aliabs.peaks (4.16, 1.17, 24.61 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 76 + HG2 LYS 76 OK 99 100 - 99 - 4.1=86, 2245/3.0=24...(38) HA LEU 126 + HG2 LYS 76 OK 56 94 - 60 - 2263/3.0=8, 4270/3.0=7...(24) HB3 SER 44 - HG2 LYS 76 OK 43 100 - 44 - 2296/3.0=5, 2307/3.0=5...(20) HB2 SER 44 - HG2 LYS 76 OK 43 99 - 44 - 2296/3.0=5, 2307/3.0=5...(20) HA GLU 120 - HG2 LYS 76 OK 20 92 - 22 - 4013/3.0=4, 2285/1.8=2...(10) HA3 GLY 125 - HG2 LYS 76 OK 15 100 - 15 - ~9489=2, 2251/3.0=2...(7) HA GLU 131 - HG2 LYS 76 OK 12 77 - 16 - 4439/3.0=3, 2263/3.0=2...(6) HA PHE 38 - HG2 LYS 76 poor 10 72 - 14 - 3.0/2282=1 Peak 2275 from aliabs.peaks (1.48, 1.17, 24.61 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 + HG2 LYS 76 OK 73 92 - 79 - 3.1/8075=15, 3.2/8074=11...(37) HB3 LEU 66 - HG2 LYS 76 OK 42 89 - 48 - 3.1/9891=11, 3.1/9899=7...(19) HG LEU 126 - HG2 LYS 76 OK 38 72 - 52 - 3.0/2276=5, 2264/3.0=4...(24) QB ALA 134 - HG2 LYS 76 OK 30 92 - 33 - 10321/3.0=5, 4574/4.1=4...(10) HG3 LYS 86 - HG2 LYS 76 OK 13 77 - 17 - ~2708=2, ~2697=2...(8) Peak 2276 from aliabs.peaks (1.86, 1.17, 24.61 ppm; 3.86 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 3.0=100 HG LEU 69 + HG2 LYS 76 OK 79 100 - 80 - 2.1/2049=11, 2033=11...(35) HB3 LEU 126 + HG2 LYS 76 OK 74 100 - 74 - 4286/3.0=7, 3047/1.8=6...(42) HB3 LYS 85 + HG2 LYS 76 OK 71 94 - 76 - 2266=8, 2598/1.8=7...(42) HB3 GLU 28 - HG2 LYS 76 OK 24 100 - 24 - ~11556=2, ~314=2, ~314=2...(14) HB2 LYS 48 - HG2 LYS 76 OK 20 85 - 24 - 2.9/2275=2, 2309/3.0=2...(7) HB2 ARG 144 - HG2 LYS 76 lone 5 72 - 7 - Peak 2277 from aliabs.peaks (1.17, 1.17, 24.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 76 + HG2 LYS 76 OK 100 100 - 100 Peak 2278 from aliabs.peaks (1.53, 1.17, 24.61 ppm; 2.92 A): 5 out of 8 assignments used, quality = 1.00: * HG3 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 1.8=100 HD2 LYS 76 + HG2 LYS 76 OK 80 81 - 99 - 3.0=95, 2297/3.0=7...(37) HB2 LEU 29 + HG2 LYS 76 OK 58 100 - 58 - 3.1/8075=10, 3.2/8074=8...(26) HG2 LYS 93 + HG2 LYS 76 OK 55 94 - 58 - 2288=7, 2291/3.0=5...(31) HG3 LYS 85 + HG2 LYS 76 OK 52 99 - 53 - 2618/3.0=4, ~2609=4...(28) QB ALA 135 - HG2 LYS 76 OK 19 98 - 19 - 9645/3.9=1, 4.0/2275=1...(9) HB2 GLU 122 - HG2 LYS 76 lone 9 99 - 9 - ~4075=1 HG3 PRO 57 - HG2 LYS 76 lone 6 68 - 9 - Peak 2279 from aliabs.peaks (1.54, 1.17, 24.61 ppm; 2.92 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 76 + HG2 LYS 76 OK 99 100 - 99 - 3.0=95, 2297/3.0=10...(38) HG3 LYS 76 + HG2 LYS 76 OK 81 81 - 100 - 1.8=100 HG2 LYS 93 + HG2 LYS 76 OK 58 99 - 59 - 2288=8, 2291/3.0=5...(31) HB2 LEU 29 + HG2 LYS 76 OK 49 85 - 57 - 3.1/8075=10, 3.2/8074=8...(26) HG3 LYS 85 - HG2 LYS 76 OK 31 62 - 49 - ~2609=4, 3.0/2276=3...(25) QB ALA 135 - HG2 LYS 76 OK 18 96 - 19 - 9645/3.9=1, 4.0/2275=1...(9) HG3 ARG 55 - HG2 LYS 76 OK 11 72 - 15 - ~9861=4, 9861/3.0=3 HG2 ARG 55 - HG2 LYS 76 poor 9 62 - 15 - ~9861=4, 9861/3.0=4 HB3 LEU 79 - HG2 LYS 76 lone 6 98 - 6 - HB2 GLU 122 - HG2 LYS 76 lone 5 62 - 8 - ~4075=1 Peak 2280 from aliabs.peaks (1.36, 1.17, 24.61 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 76 + HG2 LYS 76 OK 100 100 - 100 - 3.0=100 HB3 ARG 49 + HG2 LYS 76 OK 49 99 - 49 - 2291/1.8=9, 2302/3.0=8...(17) Peak 2281 from aliabs.peaks (2.75, 1.17, 24.61 ppm; 3.61 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 76 + HG2 LYS 76 OK 97 100 - 97 - 3.9=78, 1.8/2332=12...(46) HE3 LYS 76 + HG2 LYS 76 OK 95 98 - 97 - 3.9=78, 1.8/2321=12...(46) HE2 LYS 114 - HG2 LYS 76 OK 22 94 - 23 - 2303/3.0=4, 2314/3.0=4...(9) HB3 ASP 137 - HG2 LYS 76 OK 15 100 - 15 - ~9710=3, ~9710=2...(6) HG3 MET 113 - HG2 LYS 76 OK 13 92 - 14 - 2303/3.0=2, 2314/3.0=2...(5) HB3 PHE 43 - HG2 LYS 76 poor 10 81 - 12 - 2.7/9881=4, ~2272=2 HB2 ASN 96 - HG2 LYS 76 poor 9 77 - 12 - 3.9/9089=3, 4.7/11420=3 HB2 PHE 38 - HG2 LYS 76 lone 8 85 - 9 - HB3 ASP 40 - HG2 LYS 76 lone 7 100 - 7 - HB2 ASN 54 - HG2 LYS 76 lone 2 77 - 3 - HB3 ASP 16 - HG2 LYS 76 lone 1 72 - 1 - Peak 2282 from aliabs.peaks (2.76, 1.17, 24.61 ppm; 3.61 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HG2 LYS 76 OK 97 100 - 97 - 3.9=78, 1.8/2321=12...(46) HE2 LYS 76 + HG2 LYS 76 OK 95 98 - 97 - 3.9=78, 1.8/2332=12...(46) HE2 LYS 114 - HG2 LYS 76 OK 25 100 - 25 - 2304/3.0=4, 2315/3.0=4...(9) HB3 ASP 137 - HG2 LYS 76 OK 15 100 - 15 - ~9710=3, ~9710=2...(8) HB2 PHE 38 - HG2 LYS 76 lone 10 98 - 10 - HG3 MET 113 - HG2 LYS 76 poor 9 72 - 12 - 2303/3.0=2, 2314/3.0=2...(4) HB3 PHE 43 - HG2 LYS 76 poor 7 57 - 12 - 2.7/9881=4, ~2272=2 HB3 ASP 40 - HG2 LYS 76 lone 6 92 - 7 - HB2 ASP 41 - HG2 LYS 76 lone 3 81 - 3 - Peak 2285 from aliabs.peaks (4.16, 1.53, 24.61 ppm; 3.60 A): 2 out of 16 assignments used, quality = 0.98: * HA LYS 76 + HG3 LYS 76 OK 97 100 - 97 - 4.1=68, 2245/3.0=21...(36) HA LEU 126 + HG3 LYS 76 OK 49 94 - 52 - 2274/1.8=7, 2263/3.0=7...(22) HB3 SER 44 - HG3 LYS 76 OK 39 100 - 40 - 2274/1.8=5, 2296/3.0=4...(17) HB2 SER 44 - HG3 LYS 76 OK 39 99 - 40 - 2274/1.8=5, 2296/3.0=4...(17) HA LYS 76 - HG2 LYS 93 OK 31 80 - 39 - 2243=5, 4.1/2288=4...(16) HA LEU 126 - HG2 LYS 93 OK 19 71 - 27 - 4269/2.9=7, ~4277=4...(8) HA GLU 120 - HG3 LYS 76 OK 17 92 - 18 - 4013/3.0=4, 2274/1.8=2...(6) HA3 GLY 125 - HG3 LYS 76 OK 13 100 - 13 - 2251/3.0=2, ~9489=2...(6) HA GLU 131 - HG3 LYS 76 OK 10 77 - 13 - 4439/3.0=2, 2263/3.0=2...(5) HA PHE 38 - HG3 LYS 76 poor 8 72 - 10 - 2274/1.8=1 HB3 SER 44 - HG2 LYS 93 lone 7 79 - 9 - 8167/3.0=2, ~8167=1...(5) HB2 SER 44 - HG2 LYS 93 lone 7 77 - 9 - 8167/3.0=2, ~8167=1...(5) HA GLU 120 - HG2 LYS 93 lone 2 68 - 3 - HA3 GLY 125 - HG2 LYS 93 lone 1 80 - 2 - HA GLU 131 - HG2 LYS 93 lone 1 55 - 3 - HA PHE 38 - HG2 LYS 93 lone 1 51 - 1 - Peak 2286 from aliabs.peaks (1.48, 1.53, 24.61 ppm; 2.76 A): 2 out of 12 assignments used, quality = 0.98: * HB2 LYS 76 + HG3 LYS 76 OK 94 100 - 94 - 3.0=81, 2297/3.0=9...(40) HB3 LEU 29 + HG3 LYS 76 OK 60 92 - 65 - 357=10, 2275/1.8=5...(35) HB2 LYS 76 - HG2 LYS 93 OK 35 80 - 44 - 2255=4, 3.0/2288=4...(20) HB3 LEU 66 - HG3 LYS 76 OK 23 89 - 25 - ~9891=3, 2275/1.8=3...(9) HG LEU 126 - HG3 LYS 76 OK 22 72 - 30 - 2275/1.8=3, 2264/3.0=2...(16) QB ALA 134 - HG3 LYS 76 OK 17 92 - 19 - 10321/3.0=3, 4574/4.1=2...(8) QB ALA 134 - HG2 LYS 93 poor 9 68 - 13 - 9637/3.0=3, 10324/3.8=1 HB3 LEU 29 - HG2 LYS 93 poor 8 68 - 12 - 357=2 HG LEU 126 - HG2 LYS 93 poor 8 51 - 15 - 4293/2.9=3, ~4301=2...(7) HG3 LYS 86 - HG3 LYS 76 lone 8 77 - 10 - HG3 LYS 86 - HG2 LYS 93 lone 4 55 - 6 - HB3 LEU 66 - HG2 LYS 93 lone 2 65 - 3 - Peak 2287 from aliabs.peaks (1.86, 1.53, 24.61 ppm; 2.92 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LYS 76 + HG3 LYS 76 OK 99 100 - 99 - 3.0=96, 1.8/2286=12...(44) HB3 LYS 85 + HG3 LYS 76 OK 53 94 - 57 - 2598=6, 1.8/2586=5...(29) HG LEU 69 + HG3 LYS 76 OK 53 100 - 53 - 2.1/2288=6, 2276/1.8=5...(31) HB3 LEU 126 + HG3 LYS 76 OK 50 100 - 50 - 2276/1.8=4, 4286/3.0=4...(29) HB3 LYS 85 - HG2 LYS 93 OK 40 71 - 56 - 2598=6, 3.0/2609=5...(36) HB3 LYS 76 - HG2 LYS 93 OK 38 80 - 47 - 2267=5, 1.8/2286=4...(21) HB2 LYS 48 - HG2 LYS 93 OK 32 62 - 51 - 3.6/3051=3, 3.6/3051=2...(29) HB3 LEU 126 - HG2 LYS 93 OK 22 80 - 28 - 3058/1.8=4, 3036/2.9=4...(10) HB3 GLU 28 - HG3 LYS 76 OK 16 100 - 16 - 1.8/11556=2, 4.3/6122=2...(6) HB3 GLU 28 - HG2 LYS 93 OK 14 80 - 18 - ~8054=3, 4.0/8055=1...(8) HB2 LYS 48 - HG3 LYS 76 OK 13 85 - 15 - 2276/1.8=1, 2.9/2286=1 HG LEU 69 - HG2 LYS 93 lone 7 80 - 9 - HB2 ARG 144 - HG3 LYS 76 lone 3 72 - 4 - HB2 ARG 144 - HG2 LYS 93 lone 1 51 - 2 - Peak 2288 from aliabs.peaks (1.17, 1.53, 24.61 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 1.8=100 HG2 LYS 76 + HG2 LYS 93 OK 53 80 - 66 - 2278=7, 3.0/2291=6...(38) QD1 LEU 69 - HG3 LYS 76 OK 41 68 - 62 - 2310/3.0=5, 2299/3.0=5...(33) QG2 THR 92 - HG3 LYS 76 OK 34 92 - 37 - 2299/3.0=5, 2310/3.0=4...(16) QG2 THR 92 - HG2 LYS 93 OK 28 68 - 41 - 10089/1.8=8, 3009/5.1=7...(13) QD1 LEU 69 - HG2 LYS 93 poor 6 47 - 13 - 7086/5.1=1, 9933/4.0=1 Peak 2289 from aliabs.peaks (1.53, 1.53, 24.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 76 + HG3 LYS 76 OK 100 100 - 100 HG2 LYS 93 + HG2 LYS 93 OK 71 71 - 100 Peak 2290 from aliabs.peaks (1.54, 1.53, 24.61 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HG3 LYS 76 + HG3 LYS 76 OK 81 81 - 100 HG2 LYS 93 + HG2 LYS 93 OK 77 77 - 100 Reference assignment not found: HD2 LYS 76 - HG3 LYS 76 Peak 2291 from aliabs.peaks (1.36, 1.53, 24.61 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 76 + HG3 LYS 76 OK 100 100 - 100 - 3.0=100 HB3 ARG 49 - HG3 LYS 76 OK 41 99 - 41 - 2280/1.8=10, 2302/3.0=7...(16) HD3 LYS 76 - HG2 LYS 93 OK 40 80 - 50 - 2311=6, 3.0/2288=5...(25) HB3 ARG 49 - HG2 LYS 93 lone 2 77 - 3 - Peak 2292 from aliabs.peaks (2.75, 1.53, 24.61 ppm; 3.72 A): 2 out of 22 assignments used, quality = 1.00: * HE2 LYS 76 + HG3 LYS 76 OK 99 100 - 99 - 3.9=85, 2282/1.8=14...(51) HE3 LYS 76 + HG3 LYS 76 OK 97 98 - 99 - 3.9=85, 2282/1.8=14...(51) HE2 LYS 76 - HG2 LYS 93 OK 40 80 - 50 - 3.0/2291=8, 3.9/2288=5...(25) HE3 LYS 76 - HG2 LYS 93 OK 37 76 - 50 - 3.0/2291=8, 3.9/2288=5...(24) HE2 LYS 114 - HG2 LYS 93 OK 33 71 - 47 - ~3826=7, ~3826=5...(23) HE2 LYS 114 - HG3 LYS 76 OK 22 94 - 23 - 2303/3.0=4, 2314/3.0=4...(10) HG3 MET 113 - HG3 LYS 76 OK 16 92 - 17 - 9328/10092=4, 2303/3.0=2...(6) HB3 ASP 137 - HG3 LYS 76 OK 16 100 - 16 - ~9710=3, ~9710=3...(8) HB3 PHE 43 - HG3 LYS 76 OK 10 81 - 13 - ~9881=4, ~2272=2, 2281/1.8=1 HB3 ASP 137 - HG2 LYS 93 lone 8 80 - 10 - 4657/4.0=1 HB2 PHE 38 - HG3 LYS 76 lone 7 85 - 9 - 2282/1.8=1 HB3 ASP 40 - HG3 LYS 76 lone 7 100 - 7 - 2281/1.8=1 HB2 ASN 96 - HG3 LYS 76 lone 5 77 - 6 - 3.5/2284=2, 2281/1.8=1 HG3 MET 113 - HG2 LYS 93 lone 3 68 - 4 - 9328/10092=1 HB2 ASN 54 - HG3 LYS 76 lone 2 77 - 3 - HB2 ASN 96 - HG2 LYS 93 lone 2 55 - 3 - HB3 ASP 40 - HG2 LYS 93 lone 2 79 - 2 - HB3 PHE 43 - HG2 LYS 93 lone 1 59 - 2 - 4.5/3055=1 HB2 ASN 54 - HG2 LYS 93 lone 1 55 - 2 - HB2 PHE 38 - HG2 LYS 93 lone 1 62 - 1 - HB3 ASP 16 - HG3 LYS 76 lone 1 72 - 1 - HB3 ASP 16 - HG2 LYS 93 lone 0 51 - 1 - Peak 2293 from aliabs.peaks (2.76, 1.53, 24.61 ppm; 3.72 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 76 + HG3 LYS 76 OK 99 100 - 99 - 3.9=85, 2282/1.8=14...(51) HE2 LYS 76 + HG3 LYS 76 OK 97 98 - 99 - 3.9=85, 2282/1.8=14...(51) HE3 LYS 76 - HG2 LYS 93 OK 40 80 - 50 - 3.0/2291=8, 3.9/2288=5...(24) HE2 LYS 114 - HG2 LYS 93 OK 38 80 - 48 - ~3826=7, ~3826=5...(23) HE2 LYS 76 - HG2 LYS 93 OK 38 76 - 50 - 3.0/2291=8, 3.9/2288=5...(25) HE2 LYS 114 - HG3 LYS 76 OK 25 100 - 25 - 2304/3.0=4, 2315/3.0=4...(11) HB3 ASP 137 - HG3 LYS 76 OK 16 100 - 16 - ~9710=3, ~9710=3...(8) HG3 MET 113 - HG3 LYS 76 OK 11 72 - 15 - 9328/10092=3, 2303/3.0=2...(5) HB2 PHE 38 - HG3 LYS 76 lone 9 98 - 9 - 2282/1.8=1 HB3 ASP 137 - HG2 LYS 93 lone 8 79 - 10 - 4657/4.0=1 HB3 PHE 43 - HG3 LYS 76 poor 7 57 - 12 - ~9881=4, ~2272=2, 2281/1.8=1 HB3 ASP 40 - HG3 LYS 76 lone 6 92 - 7 - 2281/1.8=1 HB2 ASP 41 - HG3 LYS 76 lone 3 81 - 4 - HG3 MET 113 - HG2 LYS 93 lone 2 51 - 3 - HB3 ASP 40 - HG2 LYS 93 lone 1 68 - 2 - HB2 PHE 38 - HG2 LYS 93 lone 1 76 - 1 - HB3 PHE 43 - HG2 LYS 93 lone 1 39 - 2 - 4.5/3055=1 HB2 ASP 41 - HG2 LYS 93 lone 1 59 - 1 - Peak 2296 from aliabs.peaks (4.16, 1.54, 27.63 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.95: * HA LYS 76 + HD2 LYS 76 OK 89 100 - 89 - 2245/1.8=24, 5.4=23...(34) HA LEU 126 + HD2 LYS 76 OK 36 94 - 38 - 2307/1.8=6, 2263/3.5=5...(14) HB3 SER 44 + HD2 LYS 76 OK 31 100 - 32 - 2307/1.8=5, 2274/3.0=3...(14) HB2 SER 44 - HD2 LYS 76 OK 31 99 - 32 - 2307/1.8=5, 2274/3.0=3...(13) HA GLU 120 - HD2 LYS 76 OK 12 92 - 13 - 4013/3.5=3, 2307/1.8=2...(5) HA3 GLY 125 - HD2 LYS 76 lone 9 100 - 9 - 2251/3.5=1, 2307/1.8=1...(4) HA GLU 131 - HD2 LYS 76 poor 8 77 - 11 - 4439/3.5=2, 2307/1.8=2...(4) HA PHE 38 - HD2 LYS 76 lone 6 72 - 8 - Peak 2297 from aliabs.peaks (1.48, 1.54, 27.63 ppm; 3.38 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HD2 LYS 76 OK 99 100 - 99 - 3.5=87, 2308/1.8=14...(63) HB3 LEU 29 + HD2 LYS 76 OK 66 92 - 72 - 2308/1.8=8, 357=7...(36) QB ALA 134 - HD2 LYS 76 OK 28 92 - 31 - 2308/1.8=4, 9641/3.0=4...(12) HG LEU 126 - HD2 LYS 76 OK 22 72 - 31 - 3.0/2298=4, 2308/1.8=3...(12) HB3 LEU 66 - HD2 LYS 76 OK 20 89 - 23 - 2275/3.0=4, ~9891=3...(8) HG3 LYS 86 - HD2 LYS 76 lone 5 77 - 6 - 2275/3.0=1 Peak 2298 from aliabs.peaks (1.86, 1.54, 27.63 ppm; 3.89 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 LYS 85 + HD2 LYS 76 OK 63 94 - 66 - 2269/1.8=8, 2276/3.0=6...(36) HG LEU 69 + HD2 LYS 76 OK 62 100 - 63 - 2.1/2299=11, 2309/1.8=8...(23) HB3 LEU 126 + HD2 LYS 76 OK 59 100 - 59 - 2309/1.8=7, 4286/3.5=6...(23) HB2 LYS 48 - HD2 LYS 76 OK 18 85 - 20 - 2.9/2297=3, 2309/1.8=2...(6) HB3 GLU 28 - HD2 LYS 76 OK 16 100 - 16 - 4.3/6122=2, ~11556=2...(7) HB2 ARG 144 - HD2 LYS 76 lone 4 72 - 5 - Peak 2299 from aliabs.peaks (1.17, 1.54, 27.63 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 - HD2 LYS 76 OK 37 68 - 55 - 2310/1.8=8, 2.1/2298=6...(26) QG2 THR 92 - HD2 LYS 76 OK 32 92 - 35 - 2310/1.8=6, 2254/3.5=4...(15) Peak 2300 from aliabs.peaks (1.53, 1.54, 27.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HD2 LYS 76 + HD2 LYS 76 OK 81 81 - 100 Reference assignment not found: HG3 LYS 76 - HD2 LYS 76 Peak 2301 from aliabs.peaks (1.54, 1.54, 27.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 76 + HD2 LYS 76 OK 100 100 - 100 Peak 2302 from aliabs.peaks (1.36, 1.54, 27.63 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 1.8=100 HB3 ARG 49 - HD2 LYS 76 OK 37 99 - 38 - 2280/3.0=6, 2291/3.0=5...(16) Peak 2303 from aliabs.peaks (2.75, 1.54, 27.63 ppm; 3.17 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.0=100 HE3 LYS 76 + HD2 LYS 76 OK 98 98 - 100 - 3.0=100 HE2 LYS 114 - HD2 LYS 76 OK 32 94 - 34 - 3.7/8664=5, 2314/1.8=4...(18) HG3 MET 113 - HD2 LYS 76 OK 18 92 - 20 - 2314/1.8=2, ~3711=2...(6) HB3 ASP 137 - HD2 LYS 76 lone 9 100 - 9 - 9707/3.5=1, 2282/3.0=1 HB3 ASP 40 - HD2 LYS 76 lone 7 100 - 7 - HB3 PHE 43 - HD2 LYS 76 lone 7 81 - 8 - ~9881=2 HB2 PHE 38 - HD2 LYS 76 lone 6 85 - 7 - HB2 ASN 96 - HD2 LYS 76 lone 3 77 - 4 - 3.5/2295=1 HB2 ASN 54 - HD2 LYS 76 lone 2 77 - 2 - HB3 ASP 16 - HD2 LYS 76 lone 0 72 - 1 - Peak 2304 from aliabs.peaks (2.76, 1.54, 27.63 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HD2 LYS 76 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HD2 LYS 76 OK 98 98 - 100 - 3.0=100 HE2 LYS 114 - HD2 LYS 76 OK 35 100 - 35 - 3.7/8664=5, 2315/1.8=4...(18) HG3 MET 113 - HD2 LYS 76 OK 14 72 - 19 - 2314/1.8=2, ~3711=2...(5) HB3 ASP 137 - HD2 LYS 76 lone 9 100 - 9 - 9707/3.5=1, 2282/3.0=1 HB2 PHE 38 - HD2 LYS 76 lone 7 98 - 7 - HB3 ASP 40 - HD2 LYS 76 lone 6 92 - 7 - HB3 PHE 43 - HD2 LYS 76 lone 5 57 - 8 - ~9881=2 HB2 ASP 41 - HD2 LYS 76 lone 3 81 - 3 - Peak 2307 from aliabs.peaks (4.16, 1.36, 27.63 ppm; 3.52 A): 2 out of 8 assignments used, quality = 0.96: * HA LYS 76 + HD3 LYS 76 OK 93 100 - 93 - 2245=37, 2296/1.8=17...(39) HA LEU 126 + HD3 LYS 76 OK 40 94 - 42 - 2296/1.8=7, 2263/3.5=5...(15) HB3 SER 44 - HD3 LYS 76 OK 36 100 - 36 - 2296/1.8=5, 2274/3.0=3...(16) HB2 SER 44 - HD3 LYS 76 OK 35 99 - 36 - 2296/1.8=5, ~2296=4...(16) HA GLU 120 - HD3 LYS 76 OK 13 92 - 14 - 4013/3.5=3, 2296/1.8=2...(5) HA3 GLY 125 - HD3 LYS 76 OK 10 100 - 10 - 2251/3.5=2, 2296/1.8=2...(5) HA GLU 131 - HD3 LYS 76 poor 10 77 - 12 - 4439/3.5=2, 2296/1.8=2...(5) HA PHE 38 - HD3 LYS 76 lone 7 72 - 9 - 2296/1.8=1 Peak 2308 from aliabs.peaks (1.48, 1.36, 27.63 ppm; 3.53 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.5=100 HB3 LEU 29 + HD3 LYS 76 OK 60 92 - 66 - 2297/1.8=10, 2286/3.0=7...(26) QB ALA 134 - HD3 LYS 76 OK 29 92 - 32 - 9641/3.0=4, 2297/1.8=4...(12) HG LEU 126 - HD3 LYS 76 OK 24 72 - 33 - 3.0/2309=4, 2297/1.8=4...(14) HB3 LEU 66 - HD3 LYS 76 OK 22 89 - 24 - 2275/3.0=4, ~9891=4...(8) HG3 LYS 86 - HD3 LYS 76 lone 5 77 - 7 - 2275/3.0=1, 2264/3.5=1 Peak 2309 from aliabs.peaks (1.86, 1.36, 27.63 ppm; 3.89 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.5=100 HG LEU 69 + HD3 LYS 76 OK 62 100 - 62 - 2.1/2310=11, 2298/1.8=8...(23) HB3 LYS 85 + HD3 LYS 76 OK 59 94 - 63 - 2269=10, 2298/1.8=8...(27) HB3 LEU 126 + HD3 LYS 76 OK 58 100 - 58 - 2298/1.8=7, 4286/3.5=6...(25) HB2 LYS 48 - HD3 LYS 76 OK 19 85 - 22 - 4.3/6465=4, 2.9/2308=3...(8) HB3 GLU 28 - HD3 LYS 76 OK 13 100 - 13 - ~11556=2, 2276/3.0=2...(6) HB2 ARG 144 - HD3 LYS 76 lone 4 72 - 5 - Peak 2310 from aliabs.peaks (1.17, 1.36, 27.63 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.0=100 QD1 LEU 69 - HD3 LYS 76 OK 34 68 - 51 - 2299/1.8=7, 2.1/2309=5...(23) QG2 THR 92 - HD3 LYS 76 OK 28 92 - 31 - 2299/1.8=6, 2254/3.5=4...(14) Peak 2311 from aliabs.peaks (1.53, 1.36, 27.63 ppm; 2.61 A): 2 out of 8 assignments used, quality = 0.98: * HG3 LYS 76 + HD3 LYS 76 OK 89 100 - 89 - 3.0=68, 4.1/2245=7...(36) HD2 LYS 76 + HD3 LYS 76 OK 81 81 - 100 - 1.8=100 HB2 LEU 29 - HD3 LYS 76 OK 39 100 - 40 - 1.8/2308=5, ~2297=3...(23) HG2 LYS 93 - HD3 LYS 76 OK 38 94 - 40 - 2291=7, 2288/3.0=3...(18) HG3 LYS 85 - HD3 LYS 76 OK 30 99 - 31 - 3.0/2309=3, 2278/3.0=2...(10) QB ALA 135 - HD3 LYS 76 OK 15 98 - 15 - 3.7/10464=4, 4.0/2308=1 HB2 GLU 122 - HD3 LYS 76 lone 5 99 - 5 - HG3 PRO 57 - HD3 LYS 76 lone 3 68 - 5 - Peak 2312 from aliabs.peaks (1.54, 1.36, 27.63 ppm; 2.61 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 1.8=100 HG3 LYS 76 + HD3 LYS 76 OK 72 81 - 88 - 3.0=68, 4.1/2245=7...(36) HG2 LYS 93 - HD3 LYS 76 OK 39 99 - 40 - 2291=7, 2288/3.0=3...(19) HB2 LEU 29 - HD3 LYS 76 OK 33 85 - 38 - 1.8/2308=5, ~2297=3...(22) HG3 LYS 85 - HD3 LYS 76 OK 17 62 - 27 - 3.0/2309=3, 2278/3.0=2...(9) QB ALA 135 - HD3 LYS 76 OK 15 96 - 15 - 3.7/10464=4, 4.0/2308=1 HG3 ARG 55 - HD3 LYS 76 poor 9 72 - 13 - 1.8/9861=6, 9861=3 HG2 ARG 55 - HD3 LYS 76 poor 8 62 - 13 - 1.8/9861=6, 9861=3 HB3 LEU 79 - HD3 LYS 76 lone 7 98 - 8 - 8890/8665=3 HB2 GLU 122 - HD3 LYS 76 lone 2 62 - 4 - Peak 2313 from aliabs.peaks (1.36, 1.36, 27.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 76 + HD3 LYS 76 OK 100 100 - 100 Peak 2314 from aliabs.peaks (2.75, 1.36, 27.63 ppm; 3.03 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.0=100 HE3 LYS 76 + HD3 LYS 76 OK 98 98 - 100 - 3.0=100 HE2 LYS 114 - HD3 LYS 76 OK 29 94 - 31 - 2335=5, 2303/1.8=4...(15) HG3 MET 113 - HD3 LYS 76 OK 17 92 - 18 - 3.3/9334=2, 2303/1.8=2...(4) HB3 ASP 137 - HD3 LYS 76 lone 9 100 - 9 - 9707/3.5=1, 2282/3.0=1 HB3 ASP 40 - HD3 LYS 76 lone 6 100 - 6 - HB3 PHE 43 - HD3 LYS 76 lone 6 81 - 8 - ~9881=2 HB2 PHE 38 - HD3 LYS 76 lone 5 85 - 6 - HB2 ASN 96 - HD3 LYS 76 lone 3 77 - 4 - 3.5/2306=1 HB2 ASN 54 - HD3 LYS 76 lone 2 77 - 2 - HB3 ASP 16 - HD3 LYS 76 lone 0 72 - 1 - Peak 2315 from aliabs.peaks (2.76, 1.36, 27.63 ppm; 3.03 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 76 + HD3 LYS 76 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HD3 LYS 76 OK 98 98 - 100 - 3.0=100 HE2 LYS 114 - HD3 LYS 76 OK 32 100 - 32 - 2335=5, 2304/1.8=4...(16) HG3 MET 113 - HD3 LYS 76 OK 13 72 - 18 - 3.3/9334=2, 2303/1.8=2...(4) HB3 ASP 137 - HD3 LYS 76 lone 9 100 - 9 - 9707/3.5=1, 2282/3.0=1 HB2 PHE 38 - HD3 LYS 76 lone 7 98 - 7 - HB3 ASP 40 - HD3 LYS 76 lone 6 92 - 6 - HB3 PHE 43 - HD3 LYS 76 lone 4 57 - 7 - ~9881=2 HB2 ASP 41 - HD3 LYS 76 lone 3 81 - 3 - Peak 2318 from aliabs.peaks (4.16, 2.75, 41.80 ppm; 3.97 A): 2 out of 24 assignments used, quality = 0.99: * HA LYS 76 + HE2 LYS 76 OK 93 100 - 93 - 6.2=26, 2245/3.0=25...(37) HA LYS 76 + HE3 LYS 76 OK 86 92 - 93 - 6.2=26, 2245/3.0=25...(37) HA LEU 126 - HE2 LYS 76 OK 38 94 - 40 - 2296/3.0=6, 2307/3.0=6...(14) HB3 SER 44 - HE2 LYS 76 OK 35 100 - 35 - 2296/3.0=5, 2307/3.0=5...(14) HB2 SER 44 - HE2 LYS 76 OK 34 99 - 35 - 2296/3.0=5, 2307/3.0=5...(14) HA LEU 126 - HE3 LYS 76 OK 32 83 - 39 - 2296/3.0=6, 2307/3.0=6...(13) HB3 SER 44 - HE3 LYS 76 OK 31 90 - 35 - 2296/3.0=5, 2307/3.0=5...(14) HB2 SER 44 - HE3 LYS 76 OK 31 89 - 35 - 2296/3.0=5, 2307/3.0=5...(14) HA LYS 76 - HE2 LYS 114 OK 15 81 - 19 - 2247=3, 4.1/2282=2...(9) HA GLU 120 - HE2 LYS 76 OK 12 92 - 14 - 4013/5.1=3, 2296/3.0=2...(5) HA GLU 131 - HE2 LYS 76 OK 11 77 - 15 - 4.2/9567=2, 2296/3.0=2...(7) HA GLU 120 - HE3 LYS 76 OK 11 80 - 13 - 4013/5.1=3, 2296/3.0=2...(5) HA3 GLY 125 - HE2 LYS 76 lone 10 100 - 10 - 2296/3.0=2, 2307/3.0=2...(6) HA GLU 131 - HE3 LYS 76 poor 9 65 - 14 - 2296/3.0=2, 2307/3.0=2...(7) HA3 GLY 125 - HE3 LYS 76 lone 9 91 - 10 - 2296/3.0=2, 2307/3.0=2...(6) HA PHE 38 - HE2 LYS 76 poor 8 72 - 11 - 796/1.8=1 HA PHE 38 - HE3 LYS 76 poor 7 61 - 11 - 796/1.8=1 HA GLU 131 - HE2 LYS 114 poor 6 55 - 11 - ~7645=3, ~9550=2...(5) HA PHE 38 - HE2 LYS 114 lone 5 51 - 9 - 4.9/758=1, 795/6296=1...(4) HA LEU 126 - HE2 LYS 114 lone 4 71 - 5 - HB3 SER 44 - HE2 LYS 114 lone 3 79 - 4 - HB2 SER 44 - HE2 LYS 114 lone 3 78 - 4 - HA GLU 120 - HE2 LYS 114 lone 2 69 - 3 - HA3 GLY 125 - HE2 LYS 114 lone 1 80 - 1 - Peak 2319 from aliabs.peaks (1.48, 2.75, 41.80 ppm; 3.07 A): 2 out of 18 assignments used, quality = 0.98: * HB2 LYS 76 + HE2 LYS 76 OK 88 100 - 88 - 5.1=22, 2297/3.0=11...(63) HB2 LYS 76 + HE3 LYS 76 OK 81 92 - 88 - 5.1=22, 2297/3.0=11...(63) HB3 LEU 29 - HE2 LYS 76 OK 38 92 - 41 - 2297/3.0=6, 2308/3.0=5...(23) HB3 LEU 29 - HE3 LYS 76 OK 33 80 - 41 - 2297/3.0=6, 2308/3.0=5...(22) QB ALA 134 - HE2 LYS 76 OK 27 92 - 30 - 9641=5, 9641/1.8=4...(13) QB ALA 134 - HE3 LYS 76 OK 24 80 - 30 - 9641=5, 9641/1.8=4...(13) HB3 LEU 29 - HE2 LYS 114 OK 22 69 - 32 - 3827/1.8=5, 3794/3.0=4...(16) HG LEU 126 - HE2 LYS 76 OK 12 72 - 17 - 2308/3.0=2, 2297/3.0=2...(9) HG LEU 126 - HE3 LYS 76 OK 11 61 - 18 - ~8757=2, 2308/3.0=2...(9) HB2 LYS 76 - HE2 LYS 114 OK 11 81 - 14 - 3.5/2304=2, 3.5/2315=2...(5) QB ALA 134 - HE2 LYS 114 poor 10 69 - 14 - 9641=4, 2.1/4573=2, 9637/4.9=1 HB3 LEU 66 - HE2 LYS 76 poor 9 89 - 11 - 2275/3.9=2, 2297/3.0=2...(5) HB3 LEU 66 - HE3 LYS 76 poor 8 77 - 11 - 2275/3.9=2, 2297/3.0=2...(5) HB3 LEU 66 - HE2 LYS 114 lone 4 66 - 6 - ~9865=1 HG3 LYS 86 - HE2 LYS 76 lone 3 77 - 3 - HG3 LYS 86 - HE3 LYS 76 lone 2 65 - 3 - HG LEU 126 - HE2 LYS 114 lone 1 51 - 1 - HG3 LYS 86 - HE2 LYS 114 lone 0 55 - 1 - Peak 2320 from aliabs.peaks (1.86, 2.75, 41.80 ppm; 3.98 A): 5 out of 21 assignments used, quality = 1.00: * HB3 LYS 76 + HE2 LYS 76 OK 99 100 - 99 - 5.1=48, 3.0/2282=12...(70) HB3 LYS 76 + HE3 LYS 76 OK 91 92 - 99 - 5.1=48, 3.0/2282=12...(70) HG LEU 69 + HE2 LYS 76 OK 49 100 - 49 - 2033/3.9=6, 2309/3.0=6...(16) HB3 LYS 85 + HE2 LYS 76 OK 48 94 - 51 - 2298/3.0=7, 2269/3.0=6...(24) HB3 LEU 126 + HE2 LYS 76 OK 48 100 - 48 - 2298/3.0=6, 2309/3.0=6...(23) HG LEU 69 - HE3 LYS 76 OK 45 92 - 49 - 2033/3.9=6, 2309/3.0=6...(16) HB3 LEU 126 - HE3 LYS 76 OK 44 91 - 49 - 2298/3.0=6, 2309/3.0=6...(24) HB3 LYS 85 - HE3 LYS 76 OK 41 83 - 50 - 2298/3.0=7, 2269/3.0=6...(22) HB3 LYS 76 - HE2 LYS 114 OK 20 81 - 25 - 3.5/2304=4, 3.5/2315=4...(10) HB2 LYS 48 - HE2 LYS 76 OK 13 85 - 16 - 2309/3.0=2, 2298/3.0=2...(8) HB2 LYS 48 - HE3 LYS 76 OK 11 73 - 15 - 2309/3.0=2, 2298/3.0=2...(7) HB3 GLU 28 - HE2 LYS 76 lone 10 100 - 10 - 2276/3.9=2, 2298/3.0=2...(5) HB2 LYS 48 - HE2 LYS 114 poor 9 62 - 15 - 4.3/3809=3, ~3790=2...(7) HB3 GLU 28 - HE3 LYS 76 lone 9 92 - 10 - 2276/3.9=2, 2298/3.0=2...(5) HB3 LEU 126 - HE2 LYS 114 lone 5 80 - 6 - 4286/4.9=1 HG LEU 69 - HE2 LYS 114 lone 5 80 - 6 - HB3 LYS 85 - HE2 LYS 114 lone 3 71 - 5 - HB2 ARG 144 - HE2 LYS 76 lone 3 72 - 4 - HB2 ARG 144 - HE3 LYS 76 lone 2 61 - 4 - HB3 GLU 28 - HE2 LYS 114 lone 2 80 - 3 - HB2 ARG 144 - HE2 LYS 114 lone 1 51 - 1 - Peak 2321 from aliabs.peaks (1.17, 2.75, 41.80 ppm; 3.52 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 76 + HE2 LYS 76 OK 96 100 - 96 - 3.9=72, 2282/1.8=13...(46) HG2 LYS 76 + HE3 LYS 76 OK 88 92 - 96 - 3.9=72, 2282/1.8=13...(46) QD1 LEU 69 - HE2 LYS 76 OK 26 68 - 39 - 2299/3.0=6, 2310/3.0=6...(14) QD1 LEU 69 - HE3 LYS 76 OK 22 57 - 38 - 2299/3.0=6, 2310/3.0=6...(14) QG2 THR 92 - HE2 LYS 76 OK 21 92 - 23 - 2299/3.0=5, 2310/3.0=5...(7) QG2 THR 92 - HE3 LYS 76 OK 18 80 - 23 - 2299/3.0=5, 2310/3.0=5...(7) HG2 LYS 76 - HE2 LYS 114 OK 18 81 - 23 - 2282=4, 3.0/2304=4...(9) QG2 THR 92 - HE2 LYS 114 lone 4 69 - 6 - 10089/3.0=2, 8979/8983=1 QD1 LEU 69 - HE2 LYS 114 lone 2 47 - 5 - Peak 2322 from aliabs.peaks (1.53, 2.75, 41.80 ppm; 2.88 A): 4 out of 24 assignments used, quality = 1.00: * HG3 LYS 76 + HE2 LYS 76 OK 82 100 - 82 - 3.9=39, 1.8/2282=8...(37) HD2 LYS 76 + HE2 LYS 76 OK 79 81 - 97 - 3.0=93, 3.0/2282=6...(27) HG3 LYS 76 + HE3 LYS 76 OK 76 92 - 82 - 3.9=39, 1.8/2282=8...(37) HD2 LYS 76 + HE3 LYS 76 OK 67 69 - 97 - 3.0=93, 3.0/2282=6...(28) HB2 LEU 29 - HE2 LYS 76 OK 32 100 - 32 - 2311/3.0=3, 1.8/2319=3...(16) HG2 LYS 93 - HE2 LYS 76 OK 30 94 - 32 - 2291/3.0=5, 2288/3.9=3...(17) HG3 LYS 85 - HE2 LYS 76 OK 29 99 - 30 - 8864/1.8=4, 2311/3.0=3...(14) HB2 LEU 29 - HE3 LYS 76 OK 29 92 - 32 - 2311/3.0=3, ~2297=3...(16) HG3 LYS 85 - HE3 LYS 76 OK 27 89 - 30 - 8864/1.8=4, 2311/3.0=3...(16) HG2 LYS 93 - HE3 LYS 76 OK 26 83 - 31 - 2291/3.0=5, 2288/3.9=3...(16) HG2 LYS 93 - HE2 LYS 114 OK 21 71 - 30 - ~3826=4, ~3826=3...(13) HB2 LEU 29 - HE2 LYS 114 OK 20 80 - 25 - 350/3.0=4, ~3827=4...(9) HD2 LYS 76 - HE2 LYS 114 OK 16 59 - 27 - 1.8/2315=3, 2304=3...(12) QB ALA 135 - HE2 LYS 76 OK 13 98 - 13 - 4.0/9641=2, 9645/1.8=2...(5) HG3 LYS 76 - HE2 LYS 114 OK 12 81 - 15 - 3.0/2304=2, 3.0/2315=2...(5) QB ALA 135 - HE3 LYS 76 OK 11 87 - 13 - 4.0/9641=2, 9645/1.8=2...(5) QB ALA 135 - HE2 LYS 114 lone 5 76 - 6 - 4.0/9641=2 HB2 GLU 122 - HE2 LYS 76 lone 4 99 - 4 - HB2 GLU 122 - HE2 LYS 114 lone 4 78 - 5 - HB2 GLU 122 - HE3 LYS 76 lone 4 89 - 4 - HG3 PRO 57 - HE2 LYS 114 lone 3 47 - 7 - ~3822=1 HG3 PRO 57 - HE2 LYS 76 lone 3 68 - 4 - HG3 PRO 57 - HE3 LYS 76 lone 2 57 - 4 - HG3 LYS 85 - HE2 LYS 114 lone 2 78 - 2 - Peak 2323 from aliabs.peaks (1.54, 2.75, 41.80 ppm; 2.88 A): 4 out of 30 assignments used, quality = 1.00: * HD2 LYS 76 + HE2 LYS 76 OK 97 100 - 97 - 3.0=93, 3.0/2282=6...(30) HD2 LYS 76 + HE3 LYS 76 OK 89 92 - 97 - 3.0=93, 3.0/2282=6...(30) HG3 LYS 76 + HE2 LYS 76 OK 66 81 - 81 - 3.9=39, 1.8/2282=8...(37) HG3 LYS 76 + HE3 LYS 76 OK 56 69 - 81 - 3.9=39, 1.8/2282=8...(37) HG2 LYS 93 - HE2 LYS 76 OK 31 99 - 32 - 2291/3.0=5, 2288/3.9=2...(17) HG2 LYS 93 - HE3 LYS 76 OK 28 89 - 31 - 2291/3.0=5, 2288/3.9=2...(16) HB2 LEU 29 - HE2 LYS 76 OK 27 85 - 31 - 1.8/2319=3, ~2297=3...(16) HD2 LYS 76 - HE2 LYS 114 OK 24 81 - 30 - 2304=5, 8664/3.7=4...(13) HG2 LYS 93 - HE2 LYS 114 OK 23 78 - 30 - ~3826=4, 3050/3.0=3...(13) HB2 LEU 29 - HE3 LYS 76 OK 22 73 - 31 - ~2297=3, 2312/3.0=3...(16) HG3 LYS 85 - HE2 LYS 76 OK 15 62 - 24 - 8864/1.8=2, 2311/3.0=2...(11) HB2 LEU 29 - HE2 LYS 114 OK 15 62 - 24 - ~3827=4, ~3827=3...(9) HG3 LYS 85 - HE3 LYS 76 OK 13 52 - 25 - 8864/1.8=2, 2311/3.0=2...(12) QB ALA 135 - HE2 LYS 76 OK 13 96 - 13 - 4.0/9641=2, 9645/1.8=2...(5) QB ALA 135 - HE3 LYS 76 OK 11 85 - 12 - 4.0/9641=2, 9645/1.8=1...(5) HB3 LEU 79 - HE2 LYS 76 OK 11 98 - 11 - 3.1/8725=2, 8890/11058=2...(4) HB3 LEU 79 - HE3 LYS 76 poor 10 87 - 11 - 8890/11058=2, 3.1/8725=2...(4) HG3 LYS 76 - HE2 LYS 114 poor 8 59 - 13 - 3.0/2304=2, 3.0/2315=2...(4) HG3 ARG 55 - HE2 LYS 76 poor 8 72 - 10 - ~9861=4, 9861/3.0=3 HG2 ARG 55 - HE2 LYS 76 poor 6 62 - 10 - ~9861=4, 9861/3.0=4 HG3 ARG 55 - HE3 LYS 76 poor 6 61 - 10 - ~9861=4, 9861/3.0=3 HG2 ARG 55 - HE3 LYS 76 poor 5 52 - 10 - ~9861=4, 9861/3.0=4 QB ALA 135 - HE2 LYS 114 lone 4 74 - 6 - 4.0/9641=2 HB3 LEU 79 - HE2 LYS 114 lone 2 76 - 3 - 3.1/8725=2 HB2 GLU 122 - HE2 LYS 76 lone 2 62 - 3 - HB2 GLU 122 - HE2 LYS 114 lone 2 43 - 4 - HB2 GLU 122 - HE3 LYS 76 lone 2 52 - 3 - HG3 LYS 85 - HE2 LYS 114 lone 1 43 - 2 - HG3 ARG 55 - HE2 LYS 114 lone 0 51 - 1 - HG2 ARG 55 - HE2 LYS 114 lone 0 43 - 1 - Peak 2324 from aliabs.peaks (1.36, 2.75, 41.80 ppm; 3.06 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 76 + HE2 LYS 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 + HE3 LYS 76 OK 92 92 - 100 - 3.0=100 HB3 ARG 49 - HE2 LYS 76 OK 33 99 - 34 - 2302/3.0=7, 2280/3.9=5...(14) HB3 ARG 49 - HE3 LYS 76 OK 30 89 - 34 - 2302/3.0=7, 2280/3.9=5...(14) HD3 LYS 76 - HE2 LYS 114 OK 26 81 - 32 - 2315=6, 1.8/2304=4...(15) HB3 ARG 49 - HE2 LYS 114 lone 4 78 - 5 - 3.7/3809=2, 1256/7.0=1 Peak 2325 from aliabs.peaks (2.75, 2.75, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 76 + HE2 LYS 76 OK 100 100 - 100 HE3 LYS 76 + HE3 LYS 76 OK 87 87 - 100 HE2 LYS 114 + HE2 LYS 114 OK 71 71 - 100 Peak 2326 from aliabs.peaks (2.76, 2.75, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE2 LYS 76 + HE2 LYS 76 OK 98 98 - 100 HE3 LYS 76 + HE3 LYS 76 OK 92 92 - 100 HE2 LYS 114 + HE2 LYS 114 OK 80 80 - 100 Reference assignment not found: HE3 LYS 76 - HE2 LYS 76 Peak 2329 from aliabs.peaks (4.16, 2.76, 41.80 ppm; 3.85 A): 2 out of 24 assignments used, quality = 0.99: * HA LYS 76 + HE3 LYS 76 OK 92 100 - 92 - 2245/3.0=24, 6.2=23...(36) HA LYS 76 + HE2 LYS 76 OK 84 92 - 92 - 2245/3.0=24, 6.2=23...(36) HA LEU 126 - HE3 LYS 76 OK 35 94 - 37 - 2296/3.0=6, 2307/3.0=6...(13) HB3 SER 44 - HE3 LYS 76 OK 32 100 - 33 - 2296/3.0=5, 2307/3.0=5...(12) HB2 SER 44 - HE3 LYS 76 OK 32 99 - 32 - 2296/3.0=5, 2307/3.0=5...(12) HA LEU 126 - HE2 LYS 76 OK 31 83 - 37 - 2296/3.0=6, 2307/3.0=6...(14) HB3 SER 44 - HE2 LYS 76 OK 29 90 - 32 - 2296/3.0=5, 2307/3.0=5...(12) HB2 SER 44 - HE2 LYS 76 OK 28 89 - 32 - 2296/3.0=5, 2307/3.0=5...(12) HA LYS 76 - HE2 LYS 114 OK 19 99 - 19 - 2247=3, 4.1/2281=2...(8) HA GLU 120 - HE3 LYS 76 OK 12 92 - 13 - 4013/5.1=3, 2296/3.0=2...(5) HA GLU 131 - HE3 LYS 76 OK 10 77 - 13 - 2296/3.0=2, 2307/3.0=2...(7) HA GLU 120 - HE2 LYS 76 OK 10 80 - 13 - 4013/5.1=3, 2296/3.0=2...(5) HA3 GLY 125 - HE3 LYS 76 lone 9 100 - 9 - 2296/3.0=1, 2307/3.0=1...(5) HA GLU 131 - HE2 LYS 76 poor 9 65 - 13 - 2296/3.0=2, 2307/3.0=2...(7) HA3 GLY 125 - HE2 LYS 76 lone 8 91 - 9 - 2296/3.0=1, 2307/3.0=1...(5) HA PHE 38 - HE3 LYS 76 poor 8 72 - 11 - 796=1, 796/1.8=1, 3.0/810=1 HA GLU 131 - HE2 LYS 114 poor 8 75 - 11 - ~7645=2, ~9550=1...(4) HA PHE 38 - HE2 LYS 76 poor 7 61 - 11 - 796/1.8=1, 796=1 HA PHE 38 - HE2 LYS 114 lone 7 71 - 9 - 789=1, 4.9/758=1, 795/6296=1 HA LEU 126 - HE2 LYS 114 lone 5 93 - 5 - HB3 SER 44 - HE2 LYS 114 lone 4 99 - 4 - HB2 SER 44 - HE2 LYS 114 lone 4 98 - 4 - HA GLU 120 - HE2 LYS 114 lone 3 90 - 3 - HA3 GLY 125 - HE2 LYS 114 lone 1 99 - 1 - Peak 2330 from aliabs.peaks (1.48, 2.76, 41.80 ppm; 3.08 A): 2 out of 18 assignments used, quality = 0.98: * HB2 LYS 76 + HE3 LYS 76 OK 89 100 - 89 - 5.1=23, 2297/3.0=12...(63) HB2 LYS 76 + HE2 LYS 76 OK 81 92 - 89 - 5.1=23, 2297/3.0=12...(63) HB3 LEU 29 - HE3 LYS 76 OK 38 92 - 41 - 2297/3.0=6, 2308/3.0=5...(23) HB3 LEU 29 - HE2 LYS 76 OK 33 80 - 41 - 2297/3.0=6, 2308/3.0=5...(23) HB3 LEU 29 - HE2 LYS 114 OK 30 90 - 33 - 3827/1.8=5, 3794/3.0=4...(17) QB ALA 134 - HE3 LYS 76 OK 28 92 - 31 - 9641=5, 9641/1.8=4...(13) QB ALA 134 - HE2 LYS 76 OK 24 80 - 30 - 9641=5, 9641/1.8=5...(13) HB2 LYS 76 - HE2 LYS 114 OK 15 99 - 15 - 3.5/2303=2, 3.5/2314=2...(6) QB ALA 134 - HE2 LYS 114 OK 14 90 - 15 - 9641=4, 2.1/4573=2...(4) HG LEU 126 - HE3 LYS 76 OK 13 72 - 19 - ~8757=2, 2308/3.0=2...(9) HG LEU 126 - HE2 LYS 76 OK 10 61 - 16 - 2308/3.0=2, 2297/3.0=2...(8) HB3 LEU 66 - HE3 LYS 76 poor 10 89 - 11 - 2275/3.9=2, 2297/3.0=2...(5) HB3 LEU 66 - HE2 LYS 76 poor 8 77 - 11 - 2275/3.9=2, 2297/3.0=2...(5) HB3 LEU 66 - HE2 LYS 114 lone 6 87 - 7 - ~9865=1 HG3 LYS 86 - HE3 LYS 76 lone 2 77 - 3 - HG3 LYS 86 - HE2 LYS 76 lone 2 65 - 3 - HG LEU 126 - HE2 LYS 114 lone 1 71 - 1 - HG3 LYS 86 - HE2 LYS 114 lone 0 75 - 1 - Peak 2331 from aliabs.peaks (1.86, 2.76, 41.80 ppm; 3.97 A): 5 out of 21 assignments used, quality = 1.00: * HB3 LYS 76 + HE3 LYS 76 OK 99 100 - 99 - 5.1=48, 3.0/2282=12...(70) HB3 LYS 76 + HE2 LYS 76 OK 91 92 - 99 - 5.1=48, 3.0/2282=12...(70) HG LEU 69 + HE3 LYS 76 OK 49 100 - 49 - 2033/3.9=6, 2309/3.0=6...(16) HB3 LEU 126 + HE3 LYS 76 OK 49 100 - 49 - 2298/3.0=6, 2309/3.0=6...(24) HB3 LYS 85 + HE3 LYS 76 OK 48 94 - 51 - 2298/3.0=6, 2269/3.0=6...(22) HG LEU 69 - HE2 LYS 76 OK 45 92 - 49 - 2033/3.9=6, 2309/3.0=6...(16) HB3 LEU 126 - HE2 LYS 76 OK 43 91 - 47 - 2298/3.0=6, 2309/3.0=6...(23) HB3 LYS 85 - HE2 LYS 76 OK 41 83 - 50 - 2298/3.0=6, 2269/3.0=6...(23) HB3 LYS 76 - HE2 LYS 114 OK 26 99 - 26 - 3.5/2303=4, 3.5/2314=4...(10) HB2 LYS 48 - HE3 LYS 76 OK 14 85 - 16 - 2309/3.0=2, 2298/3.0=2...(8) HB2 LYS 48 - HE2 LYS 114 OK 13 83 - 16 - 4.3/3809=3, ~3790=2...(8) HB2 LYS 48 - HE2 LYS 76 OK 11 73 - 15 - 2309/3.0=2, 2298/3.0=2...(7) HB3 GLU 28 - HE3 LYS 76 lone 10 100 - 10 - 2276/3.9=2, 2298/3.0=2...(5) HB3 GLU 28 - HE2 LYS 76 lone 9 92 - 10 - 2276/3.9=2, 2298/3.0=2...(5) HB3 LEU 126 - HE2 LYS 114 lone 7 99 - 7 - 4286/4.9=1 HG LEU 69 - HE2 LYS 114 lone 6 99 - 6 - HB3 LYS 85 - HE2 LYS 114 lone 5 93 - 5 - HB2 ARG 144 - HE3 LYS 76 lone 3 72 - 4 - HB3 GLU 28 - HE2 LYS 114 lone 3 99 - 3 - HB2 ARG 144 - HE2 LYS 76 lone 2 61 - 4 - HB2 ARG 144 - HE2 LYS 114 lone 1 71 - 1 - Peak 2332 from aliabs.peaks (1.17, 2.76, 41.80 ppm; 3.45 A): 2 out of 9 assignments used, quality = 0.99: * HG2 LYS 76 + HE3 LYS 76 OK 95 100 - 95 - 3.9=67, 2282/1.8=12...(46) HG2 LYS 76 + HE2 LYS 76 OK 87 92 - 95 - 3.9=67, 2282/1.8=12...(46) QD1 LEU 69 - HE3 LYS 76 OK 25 68 - 37 - 2299/3.0=6, 2310/3.0=6...(14) HG2 LYS 76 - HE2 LYS 114 OK 23 99 - 23 - 2282=4, 3.0/2303=4...(9) QD1 LEU 69 - HE2 LYS 76 OK 21 57 - 37 - 2299/3.0=6, 2310/3.0=6...(14) QG2 THR 92 - HE3 LYS 76 OK 20 92 - 22 - 2299/3.0=5, 2310/3.0=5...(6) QG2 THR 92 - HE2 LYS 76 OK 17 80 - 22 - 2299/3.0=5, 2310/3.0=5...(6) QG2 THR 92 - HE2 LYS 114 lone 6 90 - 7 - 10089/3.0=2 QD1 LEU 69 - HE2 LYS 114 lone 4 66 - 6 - Peak 2333 from aliabs.peaks (1.53, 2.76, 41.80 ppm; 2.83 A): 4 out of 24 assignments used, quality = 1.00: * HG3 LYS 76 + HE3 LYS 76 OK 81 100 - 81 - 3.9=37, 1.8/2282=8...(37) HD2 LYS 76 + HE3 LYS 76 OK 77 81 - 94 - 3.0=88, 3.0/2282=6...(29) HG3 LYS 76 + HE2 LYS 76 OK 74 92 - 81 - 3.9=37, 1.8/2282=8...(37) HD2 LYS 76 + HE2 LYS 76 OK 65 69 - 94 - 3.0=88, 3.0/2282=6...(28) HB2 LEU 29 - HE3 LYS 76 OK 31 100 - 31 - 2311/3.0=3, 1.8/2330=3...(14) HG2 LYS 93 - HE3 LYS 76 OK 29 94 - 31 - 2291/3.0=5, 2288/3.9=3...(15) HG3 LYS 85 - HE3 LYS 76 OK 29 99 - 30 - 8864/1.8=4, 2311/3.0=2...(15) HB2 LEU 29 - HE2 LYS 76 OK 28 92 - 31 - 2311/3.0=3, ~2297=3...(15) HG2 LYS 93 - HE2 LYS 114 OK 28 93 - 30 - ~3826=4, ~3826=3...(14) HG2 LYS 93 - HE2 LYS 76 OK 25 83 - 31 - 2291/3.0=5, 2288/3.9=3...(14) HB2 LEU 29 - HE2 LYS 114 OK 25 99 - 26 - 350/3.0=4, ~3827=3...(9) HG3 LYS 85 - HE2 LYS 76 OK 25 89 - 28 - 8864/1.8=4, 2311/3.0=2...(14) HD2 LYS 76 - HE2 LYS 114 OK 21 80 - 27 - 1.8/2314=4, 2303=3...(12) HG3 LYS 76 - HE2 LYS 114 OK 15 99 - 15 - 3.0/2303=3, 3.0/2314=2...(5) QB ALA 135 - HE3 LYS 76 OK 12 98 - 12 - 4.0/9641=2, 9645/1.8=1...(4) QB ALA 135 - HE2 LYS 76 OK 11 87 - 12 - 4.0/9641=2, 9645/1.8=2...(4) QB ALA 135 - HE2 LYS 114 lone 6 96 - 6 - 4.0/9641=2 HB2 GLU 122 - HE2 LYS 114 lone 5 98 - 5 - HG3 PRO 57 - HE2 LYS 114 lone 5 66 - 8 - ~3822=1 HB2 GLU 122 - HE3 LYS 76 lone 4 99 - 4 - HB2 GLU 122 - HE2 LYS 76 lone 4 89 - 4 - HG3 PRO 57 - HE3 LYS 76 lone 3 68 - 4 - HG3 LYS 85 - HE2 LYS 114 lone 3 98 - 3 - HG3 PRO 57 - HE2 LYS 76 lone 2 57 - 4 - Peak 2334 from aliabs.peaks (1.54, 2.76, 41.80 ppm; 2.83 A): 4 out of 30 assignments used, quality = 1.00: * HD2 LYS 76 + HE3 LYS 76 OK 94 100 - 94 - 3.0=88, 3.0/2282=6...(30) HD2 LYS 76 + HE2 LYS 76 OK 87 92 - 94 - 3.0=88, 3.0/2282=6...(29) HG3 LYS 76 + HE3 LYS 76 OK 65 81 - 80 - 3.9=37, 1.8/2282=8...(37) HG3 LYS 76 + HE2 LYS 76 OK 55 69 - 80 - 3.9=37, 1.8/2282=8...(37) HG2 LYS 93 - HE3 LYS 76 OK 30 99 - 31 - 2291/3.0=4, 1.8/3815=3...(16) HD2 LYS 76 - HE2 LYS 114 OK 29 99 - 29 - 2303=5, 8664/3.7=4...(12) HG2 LYS 93 - HE2 LYS 114 OK 29 98 - 30 - ~3826=4, 3050/3.0=3...(14) HG2 LYS 93 - HE2 LYS 76 OK 27 89 - 30 - 2291/3.0=4, 2288/3.9=2...(15) HB2 LEU 29 - HE3 LYS 76 OK 25 85 - 30 - 1.8/2330=3, ~2297=3...(14) HB2 LEU 29 - HE2 LYS 76 OK 22 73 - 30 - ~2297=3, 2312/3.0=3...(15) HB2 LEU 29 - HE2 LYS 114 OK 20 83 - 24 - ~3827=3, ~3827=3...(9) HG3 LYS 85 - HE3 LYS 76 OK 15 62 - 24 - 8864/1.8=2, 2311/3.0=2...(11) QB ALA 135 - HE3 LYS 76 OK 12 96 - 12 - 4.0/9641=2, 9645/1.8=1...(4) HG3 LYS 85 - HE2 LYS 76 OK 12 52 - 23 - 8864/1.8=2, 2311/3.0=2...(10) HB3 LEU 79 - HE3 LYS 76 OK 11 98 - 11 - 8890/11058=3, 3.1/8725=2...(4) HG3 LYS 76 - HE2 LYS 114 OK 11 80 - 14 - 3.0/2303=3, 3.0/2314=2...(4) QB ALA 135 - HE2 LYS 76 OK 10 85 - 12 - 4.0/9641=2, 9645/1.8=2...(4) HB3 LEU 79 - HE2 LYS 76 poor 9 87 - 10 - 8890/11058=2, 3.1/8725=2...(4) HG3 ARG 55 - HE3 LYS 76 lone 7 72 - 10 - ~9861=4, 9861/3.0=3 HG2 ARG 55 - HE3 LYS 76 lone 6 62 - 10 - ~9861=4, 9861/3.0=3 HG3 ARG 55 - HE2 LYS 76 lone 6 61 - 10 - ~9861=4, 9861/3.0=3 QB ALA 135 - HE2 LYS 114 lone 6 95 - 6 - 4.0/9641=2 HG2 ARG 55 - HE2 LYS 76 lone 5 52 - 10 - ~9861=4, 9861/3.0=3 HB3 LEU 79 - HE2 LYS 114 lone 3 96 - 3 - 3.1/8725=2 HB2 GLU 122 - HE2 LYS 114 lone 3 61 - 4 - HB2 GLU 122 - HE3 LYS 76 lone 2 62 - 3 - HB2 GLU 122 - HE2 LYS 76 lone 2 52 - 3 - HG3 LYS 85 - HE2 LYS 114 lone 1 61 - 2 - HG3 ARG 55 - HE2 LYS 114 lone 0 71 - 1 - HG2 ARG 55 - HE2 LYS 114 lone 0 61 - 1 - Peak 2335 from aliabs.peaks (1.36, 2.76, 41.80 ppm; 3.01 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 76 + HE3 LYS 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 76 + HE2 LYS 76 OK 92 92 - 100 - 3.0=100 HB3 ARG 49 - HE3 LYS 76 OK 32 99 - 33 - 2302/3.0=7, 2280/3.9=5...(14) HD3 LYS 76 - HE2 LYS 114 OK 31 99 - 32 - 2314=6, 1.8/2303=4...(15) HB3 ARG 49 - HE2 LYS 76 OK 29 89 - 33 - 2302/3.0=7, 2280/3.9=5...(14) HB3 ARG 49 - HE2 LYS 114 lone 5 98 - 5 - 3.7/3809=2, 1256/7.0=1 Peak 2336 from aliabs.peaks (2.75, 2.76, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 76 + HE3 LYS 76 OK 98 98 - 100 HE2 LYS 114 + HE2 LYS 114 OK 93 93 - 100 HE2 LYS 76 + HE2 LYS 76 OK 92 92 - 100 Reference assignment not found: HE2 LYS 76 - HE3 LYS 76 Peak 2337 from aliabs.peaks (2.76, 2.76, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 76 + HE3 LYS 76 OK 100 100 - 100 HE2 LYS 114 + HE2 LYS 114 OK 99 99 - 100 HE2 LYS 76 + HE2 LYS 76 OK 87 87 - 100 Peak 2340 from aliabs.peaks (3.52, 3.52, 44.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 77 + HA2 GLY 77 OK 100 100 - 100 Peak 2341 from aliabs.peaks (4.37, 3.52, 44.28 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 77 + HA2 GLY 77 OK 100 100 - 100 - 1.8=100 HA ARG 144 - HA2 GLY 77 OK 23 100 - 23 - 6833/3.0=3, 3.0/8685=2...(13) HA ASP 65 - HA2 GLY 77 OK 12 94 - 13 - 6833/3.0=2, 6838/3.6=1 HB THR 51 - HA2 GLY 77 OK 12 81 - 14 - 2.1/8214=4, 8210=3...(6) HA ASN 96 - HA2 GLY 77 lone 2 96 - 2 - Peak 2344 from aliabs.peaks (3.52, 4.37, 44.28 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 77 + HA3 GLY 77 OK 100 100 - 100 - 1.8=100 HB2 PHE 45 - HA3 GLY 77 OK 27 94 - 29 - 2344=10, ~1034=5...(8) Peak 2345 from aliabs.peaks (4.37, 4.37, 44.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 77 + HA3 GLY 77 OK 100 100 - 100 Peak 2348 from aliabs.peaks (3.08, 3.08, 43.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 78 + HA2 GLY 78 OK 100 100 - 100 Peak 2349 from aliabs.peaks (4.28, 3.08, 43.05 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 78 + HA2 GLY 78 OK 100 100 - 100 - 1.8=100 HA LEU 95 - HA2 GLY 78 OK 44 98 - 45 - ~8708=11, ~8708=7...(11) HA ARG 49 - HA2 GLY 78 OK 42 77 - 55 - 3.0/1254=8, 3.0/1263=7...(16) HA ARG 140 - HA2 GLY 78 lone 6 62 - 9 - 6840/3.0=2 HA SER 138 - HA2 GLY 78 lone 4 77 - 5 - HB THR 99 - HA2 GLY 78 lone 3 77 - 4 - Peak 2351 from aliabs.peaks (8.34, 4.28, 43.05 ppm; 6.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 78 + HA3 GLY 78 OK 100 100 - 100 - 3.0=100 Peak 2352 from aliabs.peaks (3.08, 4.28, 43.05 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HA2 GLY 78 + HA3 GLY 78 OK 100 100 - 100 - 1.8=100 HD3 ARG 49 + HA3 GLY 78 OK 62 100 - 63 - 6839/3.0=10, ~1290=8...(18) HB3 TRP 88 - HA3 GLY 78 OK 14 96 - 15 - ~8694=2, ~2832=2...(6) HE2 LYS 86 - HA3 GLY 78 lone 4 62 - 7 - 3.0/8708=2, 9839/10253=2 HB3 HIS 10 - HA3 GLY 78 lone 3 98 - 3 - HB3 ASP 30 - HA3 GLY 78 lone 3 92 - 3 - Peak 2353 from aliabs.peaks (4.28, 4.28, 43.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 78 + HA3 GLY 78 OK 100 100 - 100 Peak 2356 from aliabs.peaks (3.14, 3.14, 58.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 79 + HA LEU 79 OK 100 100 - 100 Peak 2357 from aliabs.peaks (1.59, 3.14, 58.71 ppm; 4.55 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 - HA LEU 79 OK 38 100 - 38 - 2357=6, 1.8/2357=5...(11) HD2 LYS 61 - HA LEU 79 OK 38 100 - 38 - 2357=6, 1.8/2357=5...(11) HG3 LYS 36 - HA LEU 79 OK 30 77 - 40 - 2357=6, 6857/3.6=4...(15) HG3 ARG 124 - HA LEU 79 OK 28 77 - 36 - 2375/3.0=6, 2391/3.8=6...(10) HG LEU 108 - HA LEU 79 OK 22 77 - 28 - 3.0/10546=5, 3.0/10545=4...(11) HB2 LEU 97 - HA LEU 79 OK 20 85 - 24 - 3.2/10110=4, 2357=3...(9) HB2 LEU 66 - HA LEU 79 OK 12 68 - 18 - 3.9/2363=5, 2391/3.8=2...(6) HG2 ARG 141 - HA LEU 79 OK 10 81 - 12 - 6857/3.6=2, 2357=2...(4) HG2 ARG 144 - HA LEU 79 lone 9 94 - 9 - 2357=2 Peak 2358 from aliabs.peaks (1.55, 3.14, 58.71 ppm; 4.67 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 55 - HA LEU 79 OK 44 92 - 48 - 1.8/2358=8, 2358=7...(11) HG2 ARG 109 - HA LEU 79 OK 41 72 - 57 - 2358=8, 2.8/2364=7...(24) QB ALA 135 - HA LEU 79 OK 39 81 - 48 - 9646=12, 9646/4.8=11...(16) HG2 ARG 55 - HA LEU 79 OK 37 85 - 43 - 1.8/2358=8, 2358=5...(12) HD2 LYS 76 - HA LEU 79 OK 23 98 - 23 - 8664/10006=4, 8745/4.8=3...(8) HG2 LYS 93 - HA LEU 79 OK 14 89 - 16 - 8745/4.8=2, 8591/8715=2...(6) HB2 LEU 29 - HA LEU 79 lone 6 62 - 9 - 8591/8715=1, 2392/3.8=1 Peak 2359 from aliabs.peaks (1.31, 3.14, 58.71 ppm; 4.91 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.7=100 HG LEU 87 + HA LEU 79 OK 67 100 - 68 - ~8890=23, 2393/3.8=10...(14) HG12 ILE 83 + HA LEU 79 OK 50 72 - 69 - 4.4/6900=10...(15) HG3 LYS 24 - HA LEU 79 OK 29 100 - 29 - 2359=5, 2393/3.8=4...(8) QB ALA 104 - HA LEU 79 poor 9 68 - 13 - 8744/4.8=5, 9626/9646=2...(4) Peak 2360 from aliabs.peaks (0.64, 3.14, 58.71 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 79 + HA LEU 79 OK 100 100 - 100 - 3.8=100 QD1 LEU 126 + HA LEU 79 OK 51 81 - 63 - 10350/2.8=20...(13) QD1 ILE 56 - HA LEU 79 poor 9 77 - 12 - 2378/3.0=2, 2370/3.0=2...(4) Peak 2361 from aliabs.peaks (0.80, 3.14, 58.71 ppm; 3.46 A): 3 out of 6 assignments used, quality = 0.95: * QD1 LEU 79 + HA LEU 79 OK 84 100 - 84 - 4.0=64, 2397/2.8=12...(11) QG1 VAL 80 + HA LEU 79 OK 47 92 - 51 - 2419/3.6=13, 2.1/2426=9...(16) QD2 LEU 126 + HA LEU 79 OK 46 92 - 50 - ~10350=12, 2361=10...(12) QD2 LEU 95 - HA LEU 79 OK 35 100 - 35 - 2361=8, 2402/3.8=5...(9) QG2 THR 74 - HA LEU 79 OK 32 100 - 32 - 2361=7, 6851/2.8=5...(9) QD2 LEU 72 - HA LEU 79 OK 15 92 - 17 - 9948/8715=7, 2395/3.8=1 Peak 2364 from aliabs.peaks (1.39, 3.14, 58.71 ppm; 4.15 A): 7 out of 10 assignments used, quality = 0.95: * HB VAL 82 + HA LEU 79 OK 73 100 - 73 - 2.1/8794=29, 2364=19...(10) HB2 ARG 109 + HA LEU 79 OK 43 100 - 43 - 2364=8, 11557/3.8=6...(20) HG LEU 132 + HA LEU 79 OK 31 68 - 46 - 2.1/8714=19, 2.1/9581=12...(9) HG2 LYS 36 + HA LEU 79 OK 21 81 - 27 - 1.8/2357=5, ~2375=3...(11) HB2 LEU 69 + HA LEU 79 OK 20 92 - 21 - 8469/4.0=7, 11557/3.8=5...(5) HG LEU 116 + HA LEU 79 OK 14 77 - 18 - 2.1/9373=6, 2.1/9376=5...(5) HG2 ARG 49 + HA LEU 79 OK 11 98 - 11 - ~6844=2, 2364=1, 11557/3.8=1 HG2 LYS 86 - HA LEU 79 lone 7 100 - 7 - 2487/8794=1 HB3 LEU 39 - HA LEU 79 poor 6 62 - 10 - 2364=1, 838/4.8=1, 8590/8715=1 HB2 ARG 35 - HA LEU 79 lone 5 68 - 8 - 11558/4.0=2, 11004/3.8=2 Peak 2366 from aliabs.peaks (3.14, 1.59, 41.06 ppm; 6.10 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.0=100 HA VAL 80 + HB2 LEU 79 OK 84 92 - 92 - ~6860=25, 8744/3.0=18...(33) HB2 TYR 70 - HB2 LEU 79 OK 35 92 - 38 - ~8480=8, 2374/1.8=6...(10) Peak 2367 from aliabs.peaks (1.59, 1.59, 41.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 79 + HB2 LEU 79 OK 100 100 - 100 Peak 2368 from aliabs.peaks (1.55, 1.59, 41.06 ppm; 4.60 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 1.8=100 HG2 ARG 109 + HB2 LEU 79 OK 49 72 - 68 - 2392/3.1=7, ~11019=6...(33) HG3 ARG 55 - HB2 LEU 79 OK 43 92 - 47 - 2392/3.1=5, 2358/3.0=5...(18) QB ALA 135 - HB2 LEU 79 OK 39 81 - 48 - ~9631=17, 9646/3.0=10...(11) HG2 ARG 55 - HB2 LEU 79 OK 38 85 - 45 - ~2358=5, ~2392=5...(18) HD2 LYS 76 - HB2 LEU 79 OK 18 98 - 19 - 2392/3.1=3, ~8725=3...(8) HG2 LYS 93 - HB2 LEU 79 poor 10 89 - 11 - 2358/3.0=1, 2392/3.1=1...(4) HB2 LEU 29 - HB2 LEU 79 poor 8 62 - 14 - ~8737=6, ~10841=2, 2392/3.1=1 Peak 2369 from aliabs.peaks (1.31, 1.59, 41.06 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.0=100 HG LEU 87 + HB2 LEU 79 OK 82 100 - 82 - ~8890=30, 2393/3.1=12...(26) HG12 ILE 83 + HB2 LEU 79 OK 57 72 - 79 - ~10022=11, ~10008=8...(28) HG3 LYS 24 - HB2 LEU 79 OK 34 100 - 34 - 2393/3.1=5, 2377/1.8=5...(13) QB ALA 104 - HB2 LEU 79 lone 5 68 - 7 - 2359/3.0=1 Peak 2370 from aliabs.peaks (0.64, 1.59, 41.06 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.1=100 QD1 LEU 126 + HB2 LEU 79 OK 55 81 - 67 - 10350/3.6=14...(26) QD1 ILE 56 - HB2 LEU 79 OK 10 77 - 13 - 2378/1.8=2, 2360/3.0=2...(5) Peak 2371 from aliabs.peaks (0.80, 1.59, 41.06 ppm; 3.58 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.1=100 QD2 LEU 95 + HB2 LEU 79 OK 58 100 - 58 - 2402/3.1=7, 2379/1.8=6...(23) QG1 VAL 80 + HB2 LEU 79 OK 55 92 - 59 - 2419/4.1=12, 2379/1.8=6...(29) QD2 LEU 126 + HB2 LEU 79 OK 51 92 - 56 - 2.1/2370=10, ~2378=7...(22) QG2 THR 74 - HB2 LEU 79 OK 43 100 - 43 - 2395/3.1=5, 2379/1.8=5...(18) QD2 LEU 72 - HB2 LEU 79 OK 12 92 - 13 - 2395/3.1=2, 2361/3.0=2...(5) Peak 2374 from aliabs.peaks (3.14, 1.55, 41.06 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.0=100 HA VAL 80 + HB3 LEU 79 OK 87 92 - 95 - ~6860=30, 8744/3.0=19...(37) HB2 TYR 70 - HB3 LEU 79 OK 40 92 - 43 - ~8480=10, 2366/1.8=8...(10) Peak 2375 from aliabs.peaks (1.59, 1.55, 41.06 ppm; 4.17 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 1.8=100 HG3 ARG 124 + HB3 LEU 79 OK 59 77 - 77 - ~9478=13, ~11070=7...(33) HD3 LYS 61 - HB3 LEU 79 OK 36 100 - 36 - 2391/3.1=4, 2357/3.0=4...(14) HD2 LYS 61 - HB3 LEU 79 OK 36 100 - 36 - 2391/3.1=4, 2357/3.0=4...(14) HG3 LYS 36 - HB3 LEU 79 OK 30 77 - 40 - ~11004=4, 2391/3.1=4...(19) HG LEU 108 - HB3 LEU 79 OK 18 77 - 24 - ~10546=4, ~10545=2...(14) HB2 LEU 97 - HB3 LEU 79 OK 15 85 - 17 - ~10110=2, 2357/3.0=2...(7) HB2 LEU 66 - HB3 LEU 79 OK 14 68 - 20 - ~11154=5, ~10786=4...(7) HG2 ARG 141 - HB3 LEU 79 poor 9 81 - 10 - 6857/4.1=2, 2357/3.0=1 HG2 ARG 144 - HB3 LEU 79 lone 8 94 - 8 - Peak 2376 from aliabs.peaks (1.55, 1.55, 41.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + HB3 LEU 79 OK 100 100 - 100 Peak 2377 from aliabs.peaks (1.31, 1.55, 41.06 ppm; 5.38 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.0=100 HG LEU 87 + HB3 LEU 79 OK 86 100 - 87 - 2.1/8890=37, 2369/1.8=13...(26) HG12 ILE 83 + HB3 LEU 79 OK 63 72 - 87 - 2.1/10022=13, ~10008=10...(33) HG3 LYS 24 - HB3 LEU 79 OK 42 100 - 42 - 2369/1.8=6, 2393/3.1=5...(14) QB ALA 104 - HB3 LEU 79 lone 5 68 - 8 - 2359/3.0=1, 2393/3.1=1 Peak 2378 from aliabs.peaks (0.64, 1.55, 41.06 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.1=100 QD1 LEU 126 + HB3 LEU 79 OK 57 81 - 70 - 10350/3.6=16...(26) QD1 ILE 56 - HB3 LEU 79 OK 11 77 - 14 - 2370/1.8=2, 2360/3.0=2...(5) Peak 2379 from aliabs.peaks (0.80, 1.55, 41.06 ppm; 3.74 A): 5 out of 6 assignments used, quality = 1.00: * QD1 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.1=100 QD2 LEU 95 + HB3 LEU 79 OK 63 100 - 63 - 2402/3.1=8, 2400=8...(25) QG1 VAL 80 + HB3 LEU 79 OK 58 92 - 64 - 2419/4.1=14, 2371/1.8=7...(30) QD2 LEU 126 + HB3 LEU 79 OK 54 92 - 59 - 2.1/2378=11, ~2370=7...(22) QG2 THR 74 + HB3 LEU 79 OK 47 100 - 47 - 2395/3.1=6, 2371/1.8=5...(19) QD2 LEU 72 - HB3 LEU 79 OK 14 92 - 15 - 2395/3.1=2, 2361/3.0=2...(6) Peak 2382 from aliabs.peaks (3.14, 1.31, 26.38 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.7=100 HA VAL 80 + HG LEU 79 OK 86 92 - 94 - ~6860=34, 8744=18...(33) HA LEU 79 + HG LEU 87 OK 56 69 - 82 - ~8890=35, 3.0/2369=14...(14) HB2 TYR 70 - HG LEU 79 OK 35 92 - 39 - ~8480=11, 2366/3.0=7...(7) HA VAL 80 - HG LEU 87 OK 28 58 - 49 - 4.8/2359=11...(16) HB2 TYR 70 - HG LEU 87 lone 5 58 - 8 - 9987/10056=1 Peak 2383 from aliabs.peaks (1.59, 1.31, 26.38 ppm; 3.93 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 124 + HG LEU 79 OK 61 77 - 80 - ~9478=15, ~11070=8...(33) HB2 LEU 79 + HG LEU 87 OK 47 69 - 68 - ~8890=22, 3.1/2393=8...(24) HD3 LYS 61 - HG LEU 79 OK 31 100 - 31 - 2391/2.1=5, 2399/2.1=3...(11) HD2 LYS 61 - HG LEU 79 OK 30 100 - 31 - 2391/2.1=5, 2399/2.1=3...(11) HG3 LYS 36 - HG LEU 79 OK 25 77 - 33 - ~11004=5, 2391/2.1=5...(16) HB2 LEU 97 - HG LEU 79 OK 17 85 - 19 - 4.8/9146=4, 4.8/9145=4...(7) HB2 LEU 66 - HG LEU 79 OK 15 68 - 22 - ~11154=7, ~10786=5...(6) HB2 LEU 97 - HG LEU 87 OK 12 52 - 23 - 4.8/9145=6, 4.8/9146=6...(5) HG2 ARG 144 - HG LEU 87 OK 12 60 - 19 - ~10061=2, ~2811=2...(10) HG LEU 108 - HG LEU 79 OK 11 77 - 15 - 2391/2.1=2, 2375/3.0=2...(4) HD3 LYS 61 - HG LEU 87 poor 8 69 - 11 - ~8336=6, ~8336=2, ~8886=1 HD2 LYS 61 - HG LEU 87 poor 8 69 - 11 - ~8336=6, ~8336=2, ~8886=1 HG LEU 108 - HG LEU 87 poor 7 46 - 15 - 2.1/10231=5, ~3505=1, ~3505=1 HG2 ARG 141 - HG LEU 79 lone 6 81 - 7 - HG2 ARG 144 - HG LEU 79 lone 6 94 - 6 - 2391/2.1=1 HG3 LYS 36 - HG LEU 87 lone 3 46 - 6 - HG3 ARG 124 - HG LEU 87 lone 2 46 - 5 - 4232/4.3=2 HB2 LEU 66 - HG LEU 87 lone 2 39 - 6 - ~11145=1, ~10772=1 HG2 ARG 141 - HG LEU 87 lone 2 49 - 3 - Peak 2384 from aliabs.peaks (1.55, 1.31, 26.38 ppm; 3.84 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.0=100 HD2 LYS 76 + HG LEU 87 OK 50 65 - 78 - ~8665=24, 8662/2.1=21...(14) HB3 LEU 79 + HG LEU 87 OK 47 69 - 69 - 8890/2.1=32, 3.1/2393=8...(23) QB ALA 135 - HG LEU 79 OK 37 81 - 46 - ~9631=15, 9627/2.1=8...(13) HG2 ARG 109 - HG LEU 79 OK 36 72 - 50 - 2392/2.1=7, 3.0/11019=6...(21) HG3 ARG 55 - HG LEU 79 OK 32 92 - 34 - 2392/2.1=5, ~2392=4...(11) HG2 ARG 55 - HG LEU 79 OK 27 85 - 32 - ~2392=4, 2392/2.1=4...(11) HD2 LYS 76 - HG LEU 79 OK 21 98 - 22 - 2392/2.1=3, ~8725=2...(8) HG2 LYS 93 - HG LEU 79 OK 11 89 - 12 - 2392/2.1=1 HG2 LYS 93 - HG LEU 87 OK 10 55 - 19 - ~8897=4, 8890/2.1=4...(5) HB2 LEU 29 - HG LEU 79 poor 7 62 - 11 - ~8737=5, 3.2/10841=1, 2392/2.1=1 QB ALA 135 - HG LEU 87 poor 6 49 - 12 - 10318/10979=2...(3) HG3 ARG 55 - HG LEU 87 lone 5 58 - 9 - 8890/2.1=3, ~8890=2 HG2 ARG 109 - HG LEU 87 poor 4 43 - 10 - 8890/2.1=4, 3.0/11019=2 HG2 ARG 55 - HG LEU 87 lone 4 52 - 8 - ~8890=2, 8890/2.1=2 HB2 LEU 29 - HG LEU 87 lone 2 36 - 5 - 3.2/10841=2 Peak 2385 from aliabs.peaks (1.31, 1.31, 26.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 79 + HG LEU 79 OK 100 100 - 100 HG LEU 87 + HG LEU 87 OK 67 67 - 100 Peak 2386 from aliabs.peaks (0.64, 1.31, 26.38 ppm; 3.99 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 79 + HG LEU 79 OK 100 100 - 100 - 2.1=100 QD1 LEU 126 + HG LEU 79 OK 56 81 - 69 - 10350/4.7=12...(22) QD2 LEU 79 + HG LEU 87 OK 51 69 - 74 - ~8890=14, 2393=14...(28) QD1 ILE 56 - HG LEU 79 OK 13 77 - 16 - ~8735=2, 3.1/10133=2...(9) QD1 LEU 126 - HG LEU 87 OK 12 49 - 24 - 10339/10056=3, ~11144=3...(9) QD1 ILE 56 - HG LEU 87 lone 3 46 - 7 - 3.1/10133=1 Peak 2387 from aliabs.peaks (0.80, 1.31, 26.38 ppm; 4.79 A): 6 out of 12 assignments used, quality = 1.00: * QD1 LEU 79 + HG LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 95 + HG LEU 79 OK 84 100 - 85 - ~8736=11, ~3148=11...(28) QG1 VAL 80 + HG LEU 79 OK 70 92 - 76 - 3.2/8744=14, ~2390=8...(25) QD2 LEU 126 + HG LEU 79 OK 69 92 - 75 - 2.1/2386=11, ~2370=9...(21) QG2 THR 74 + HG LEU 79 OK 68 100 - 68 - ~8605=10, 2395/2.1=8...(19) QD1 LEU 79 + HG LEU 87 OK 58 69 - 84 - ~8890=21, 2.1/2393=13...(29) QD2 LEU 72 - HG LEU 79 OK 23 92 - 25 - 2395/2.1=3, ~2121=3...(9) QD2 LEU 126 - HG LEU 87 OK 18 58 - 31 - ~11144=4, ~10772=3...(12) QG1 VAL 80 - HG LEU 87 OK 13 58 - 22 - 3.2/8744=5, 8760=3...(7) QD2 LEU 95 - HG LEU 87 poor 8 68 - 11 - 9982/10047=2, 2402/2393=1 QG2 THR 74 - HG LEU 87 poor 7 69 - 10 - 8616/10056=2, 9982/10047=1 QD2 LEU 72 - HG LEU 87 lone 4 58 - 8 - 9595/10979=1 Peak 2390 from aliabs.peaks (3.14, 0.64, 26.93 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.8=100 HA VAL 80 + QD2 LEU 79 OK 62 92 - 68 - 2.8/6860=22, 8744/2.1=10...(23) HB2 TYR 70 - QD2 LEU 79 OK 18 92 - 19 - ~8480=4, 2398/2.1=3...(7) Peak 2391 from aliabs.peaks (1.59, 0.64, 26.93 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.1=100 HG3 ARG 124 + QD2 LEU 79 OK 54 77 - 71 - 3.0/9478=12, 3.0/8735=9...(27) HD3 LYS 61 - QD2 LEU 79 OK 34 100 - 34 - 2391=6, 1.8/2391=5...(14) HD2 LYS 61 - QD2 LEU 79 OK 34 100 - 34 - 2391=6, 1.8/2391=5...(14) HG3 LYS 36 - QD2 LEU 79 OK 27 77 - 36 - 1.8/11004=6, 2391=6...(15) HB2 LEU 97 - QD2 LEU 79 OK 15 85 - 17 - 4.8/8727=4, 2391=3...(6) HB2 LEU 66 - QD2 LEU 79 OK 14 68 - 21 - 3.0/11154=10, 2.9/8736=3...(4) HG LEU 108 - QD2 LEU 79 OK 13 77 - 17 - 2391=2, 3.7/11017=2...(6) HG2 ARG 144 - QD2 LEU 79 lone 7 94 - 7 - 2391=1 HG2 ARG 141 - QD2 LEU 79 lone 6 81 - 8 - 2391=1 Peak 2392 from aliabs.peaks (1.55, 0.64, 26.93 ppm; 3.59 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.1=100 QB ALA 135 - QD2 LEU 79 OK 43 81 - 53 - 2.9/9631=21, 3.7/9680=11...(12) HG2 ARG 109 - QD2 LEU 79 OK 39 72 - 54 - 3.9/8728=8, 2392=8...(19) HG3 ARG 55 - QD2 LEU 79 OK 34 92 - 37 - 1.8/2392=6, 2392=6...(13) HG2 ARG 55 - QD2 LEU 79 OK 29 85 - 34 - 1.8/2392=6, 2392=4...(13) HD2 LYS 76 - QD2 LEU 79 OK 21 98 - 21 - 3.0/8725=4, 3.0/8725=3...(8) HB2 LEU 29 - QD2 LEU 79 OK 10 62 - 17 - 3.1/8737=7, 4.0/8717=3, ~10841=1 HG2 LYS 93 - QD2 LEU 79 poor 10 89 - 11 - 1.8/11004=1 Peak 2393 from aliabs.peaks (1.31, 0.64, 26.93 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 2.1=100 HG LEU 87 + QD2 LEU 79 OK 66 100 - 66 - ~8890=12, 2393=10...(27) HG12 ILE 83 - QD2 LEU 79 OK 40 72 - 55 - 2393=6, ~2542=5...(22) HG3 LYS 24 - QD2 LEU 79 OK 27 100 - 27 - 2393=5, ~10907=3...(13) QB ALA 104 - QD2 LEU 79 lone 5 68 - 8 - 10979/8738=1 Peak 2394 from aliabs.peaks (0.64, 0.64, 26.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 79 + QD2 LEU 79 OK 100 100 - 100 Peak 2395 from aliabs.peaks (0.80, 0.64, 26.93 ppm; 2.99 A): 5 out of 6 assignments used, quality = 1.00: * QD1 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 95 + QD2 LEU 79 OK 57 100 - 57 - 2402=11, 2.1/8736=5...(22) QG1 VAL 80 + QD2 LEU 79 OK 47 92 - 51 - 4.0/6860=9, 3.2/2390=5...(24) QG2 THR 74 + QD2 LEU 79 OK 46 100 - 46 - 2395=8, 2.1/8605=6...(18) QD2 LEU 126 + QD2 LEU 79 OK 46 92 - 50 - 2395=8, 2361/3.8=3...(23) QD2 LEU 72 - QD2 LEU 79 OK 19 92 - 21 - 2148/8579=2, 9948/8739=2...(5) Peak 2398 from aliabs.peaks (3.14, 0.80, 22.65 ppm; 3.10 A): 6 out of 12 assignments used, quality = 0.93: * HA LEU 79 + QD1 LEU 79 OK 70 100 - 70 - 4.0=46, 2.8/2397=10...(10) HA VAL 80 + QD1 LEU 79 OK 49 92 - 53 - 2408=8, ~6860=8...(21) HA LEU 79 + QD2 LEU 95 OK 27 93 - 29 - 2361=7, 3.8/2402=4...(8) HA LEU 79 + QG2 THR 74 OK 16 66 - 24 - 2361=6, 2.8/6851=4...(8) HB2 TYR 70 + QD1 LEU 79 OK 16 92 - 17 - 3.0/8480=4, 3.6/10943=3...(6) HA VAL 80 + QD2 LEU 95 OK 15 82 - 18 - 2.8/6861=3, 2408=2...(5) HA VAL 80 - QG2 THR 74 poor 7 56 - 13 - 2408=2, 2.8/6861=2, 4.8/2361=2 HB2 TYR 70 - QD2 LEU 95 lone 6 82 - 8 - 3.6/10943=2, 3.0/8480=2 HB2 TYR 70 - QG2 THR 74 lone 5 56 - 9 - 3.0/8480=3, 8501/8496=1 HA LEU 79 - QD2 LEU 72 lone 3 35 - 10 - 2361=2, 3.8/2395=1, 8715/2177=1 HB2 TYR 70 - QD2 LEU 72 poor 3 29 - 11 - 4.4/8493=4, 3.6/8481=3...(4) HA VAL 80 - QD2 LEU 72 lone 2 29 - 9 - Peak 2399 from aliabs.peaks (1.59, 0.80, 22.65 ppm; 3.02 A): 2 out of 40 assignments used, quality = 0.96: * HB2 LEU 79 + QD1 LEU 79 OK 93 100 - 93 - 3.1=90, 3.0/2361=8...(6) HG3 ARG 124 + QD1 LEU 79 OK 46 77 - 60 - 1.8/11070=9, ~9478=8...(23) HB2 LEU 79 - QD2 LEU 95 OK 41 93 - 45 - 2399=6, 3.1/2402=5...(23) HD3 LYS 61 - QD1 LEU 79 OK 25 100 - 25 - 2399=4, 2391/2.1=3...(15) HD2 LYS 61 - QD1 LEU 79 OK 25 100 - 25 - 2399=4, 2391/2.1=3...(15) HG3 LYS 36 - QD1 LEU 79 OK 23 77 - 30 - 3.9/8730=5, 3.9/8730=4...(11) HB2 LEU 79 - QG2 THR 74 OK 22 66 - 32 - 2371=4, 3.1/2395=4...(16) HG3 ARG 124 - QD2 LEU 95 OK 16 67 - 24 - 1.8/11070=4, 3.0/9477=2...(10) HB2 LEU 66 - QD1 LEU 79 OK 12 68 - 18 - ~11154=4, ~10786=3...(6) HB2 LEU 97 - QD1 LEU 79 OK 10 85 - 12 - 4.0/11419=4, 2399=2...(4) HG LEU 108 - QD2 LEU 72 poor 10 22 - 45 - 2.1/2154=6, 3499/2.1=4...(30) HG LEU 108 - QD1 LEU 79 poor 8 77 - 10 - 2399=1, 2391/2.1=1, 2.1/2154=1 HG3 ARG 124 - QG2 THR 74 poor 7 44 - 16 - 1.8/11070=3, 4239/4.0=2...(8) HB2 LEU 66 - QD2 LEU 95 poor 7 58 - 11 - 4.4/9980=2, 3.9/10944=1 HB2 LEU 97 - QD2 LEU 95 lone 6 75 - 9 - 4.0/11419=6 HG3 ARG 124 - QD2 LEU 72 poor 6 22 - 25 - 1.8/10675=4, 3.0/9481=3...(11) HG2 ARG 141 - QD1 LEU 79 lone 5 81 - 6 - HG2 ARG 144 - QD1 LEU 79 lone 4 94 - 5 - HG LEU 108 - QG2 THR 74 lone 4 44 - 10 - ~3502=1, ~3510=1...(5) HG3 LYS 36 - QD2 LEU 95 lone 3 67 - 5 - HB2 LEU 79 - QD2 LEU 72 lone 3 35 - 9 - 3.1/2395=1, 3.0/2361=1, 2371=1 HD3 LYS 61 - QD2 LEU 95 lone 2 93 - 3 - HD2 LYS 61 - QD2 LEU 95 lone 2 93 - 3 - HB2 LEU 97 - QG2 THR 74 lone 2 50 - 4 - 4.0/11419=1 HG3 LYS 36 - QD2 LEU 72 lone 2 22 - 10 - ~10173=2 HG2 ARG 141 - QD2 LEU 95 lone 2 71 - 3 - HB2 LEU 66 - QG2 THR 74 lone 2 38 - 5 - 4.4/11231=2, 3.9/11441=1 HD3 LYS 61 - QG2 THR 74 lone 2 66 - 2 - HD2 LYS 61 - QG2 THR 74 lone 2 66 - 2 - HG LEU 108 - QD2 LEU 95 lone 1 67 - 2 - HG3 LYS 36 - QG2 THR 74 lone 1 44 - 3 - HG2 ARG 144 - QD2 LEU 95 lone 1 84 - 1 - HB2 LEU 97 - QD2 LEU 72 lone 1 26 - 4 - HG2 ARG 141 - QD2 LEU 72 lone 1 24 - 4 - HB2 LEU 66 - QD2 LEU 72 lone 1 19 - 4 - HG2 ARG 141 - QG2 THR 74 lone 1 47 - 1 - HG2 ARG 144 - QG2 THR 74 lone 0 58 - 1 - HG2 ARG 144 - QD2 LEU 72 lone 0 30 - 1 - HD3 LYS 61 - QD2 LEU 72 lone 0 35 - 1 - HD2 LYS 61 - QD2 LEU 72 lone 0 35 - 1 - Peak 2400 from aliabs.peaks (1.55, 0.80, 22.65 ppm; 3.10 A): 1 out of 32 assignments used, quality = 0.98: * HB3 LEU 79 + QD1 LEU 79 OK 98 100 - 98 - 3.1=97, 3.0/2361=9...(6) HB3 LEU 79 - QD2 LEU 95 OK 44 93 - 47 - 2400=7, 3.1/2402=6...(23) HG2 ARG 109 - QD1 LEU 79 OK 33 72 - 46 - 3.9/9271=6, 2400=6...(16) QB ALA 135 - QD1 LEU 79 OK 30 81 - 37 - ~9631=9, 9627=7...(10) HG3 ARG 55 - QD1 LEU 79 OK 26 92 - 28 - 2400=4, 1.8/2400=4...(13) HG2 LYS 93 - QD2 LEU 95 OK 24 78 - 30 - 3.0/3154=4, 3051/3.1=3...(13) HB3 LEU 79 - QG2 THR 74 OK 23 66 - 34 - 2400=4, 3.1/2395=4...(16) HG2 ARG 55 - QD1 LEU 79 OK 22 85 - 26 - 1.8/2400=4, 2400=3...(13) QB ALA 135 - QD2 LEU 95 OK 18 71 - 25 - 9627=4, 9643/2.1=4...(6) HD2 LYS 76 - QD1 LEU 79 OK 13 98 - 13 - 2392/2.1=2, ~8725=1...(4) HG2 LYS 93 - QD1 LEU 79 lone 7 89 - 8 - QB ALA 135 - QG2 THR 74 poor 6 47 - 13 - 9627=3, 2.9/9630=3...(4) HG2 ARG 109 - QD2 LEU 95 poor 6 62 - 10 - 3.9/9271=2, 3.0/9275=1 HB2 LEU 29 - QD1 LEU 79 lone 6 62 - 10 - ~8737=3, 4.0/8719=2 HD2 LYS 76 - QD2 LEU 72 poor 5 33 - 16 - 2299/3.2=3, 8663/8542=2...(6) HD2 LYS 76 - QD2 LEU 95 lone 4 89 - 5 - HD2 LYS 76 - QG2 THR 74 lone 4 62 - 6 - 6.1/8620=1 HB3 LEU 79 - QD2 LEU 72 poor 4 35 - 10 - 3.1/2395=1, 3.0/2361=1...(4) HG2 ARG 109 - QG2 THR 74 lone 3 41 - 7 - 3.9/9271=2, 4.3/9934=1 HG2 LYS 93 - QD2 LEU 72 lone 3 27 - 9 - ~10173=3, 5.1/9035=2 QB ALA 135 - QD2 LEU 72 lone 2 24 - 9 - 3.7/7751=2, 9628/10420=1 HB2 LEU 29 - QD2 LEU 72 poor 2 17 - 11 - ~8075=1, ~9779=1...(6) HG3 ARG 55 - QD2 LEU 95 lone 2 82 - 2 - HG2 ARG 109 - QD2 LEU 72 lone 2 21 - 7 - 3.0/9275=2, 3.9/9271=1, ~9275=1 HG2 LYS 93 - QG2 THR 74 lone 1 53 - 2 - HG2 ARG 55 - QD2 LEU 95 lone 1 75 - 2 - HG3 ARG 55 - QD2 LEU 72 lone 1 29 - 4 - HG2 ARG 55 - QD2 LEU 72 lone 1 26 - 4 - HB2 LEU 29 - QD2 LEU 95 lone 1 53 - 2 - HG3 ARG 55 - QG2 THR 74 lone 1 56 - 1 - HG2 ARG 55 - QG2 THR 74 lone 1 50 - 1 - HB2 LEU 29 - QG2 THR 74 lone 1 34 - 2 - Peak 2401 from aliabs.peaks (1.31, 0.80, 22.65 ppm; 3.09 A): 3 out of 20 assignments used, quality = 1.00: * HG LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 2.1=100 HG LEU 87 + QD1 LEU 79 OK 52 100 - 52 - ~8890=7, 2393/2.1=7...(25) HG LEU 79 + QD2 LEU 95 OK 51 93 - 55 - 2.1/2402=8, 2401=7...(23) HG12 ILE 83 - QD1 LEU 79 OK 31 72 - 43 - 3.8/9075=6, 2393/2.1=4...(20) HG12 ILE 83 - QD2 LEU 95 OK 28 62 - 44 - 3.8/9075=9, 3.0/3155=4...(25) HG LEU 79 - QG2 THR 74 OK 25 66 - 38 - 2.1/2395=5, ~8605=4...(18) HG3 LYS 24 - QD1 LEU 79 OK 18 100 - 18 - 2393/2.1=3, 2401=3...(8) QB ALA 104 - QD2 LEU 72 poor 7 19 - 38 - 2.1/10200=4, 9196/2.1=4...(19) HG3 LYS 24 - QD2 LEU 72 poor 7 34 - 19 - 10897/2.1=3, ~10880=2...(9) HG LEU 87 - QD2 LEU 95 lone 5 92 - 5 - 10047/9982=1 HG LEU 79 - QD2 LEU 72 poor 4 35 - 11 - 2.1/2395=2, ~2138=1...(5) QB ALA 104 - QD1 LEU 79 lone 3 68 - 5 - QB ALA 104 - QD2 LEU 95 lone 3 58 - 6 - 10117/2.1=2 HG3 LYS 24 - QD2 LEU 95 lone 3 92 - 3 - HG LEU 87 - QG2 THR 74 lone 2 65 - 4 - HG12 ILE 83 - QG2 THR 74 lone 2 41 - 5 - ~11041=1 HG12 ILE 83 - QD2 LEU 72 lone 1 21 - 7 - HG3 LYS 24 - QG2 THR 74 lone 1 65 - 2 - HG LEU 87 - QD2 LEU 72 lone 1 34 - 2 - QB ALA 104 - QG2 THR 74 lone 1 38 - 2 - Peak 2402 from aliabs.peaks (0.64, 0.80, 22.65 ppm; 2.70 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 2.1=100 QD2 LEU 79 + QD2 LEU 95 OK 46 93 - 49 - 2402=10, 8736/2.1=4...(21) QD1 LEU 126 - QD1 LEU 79 OK 38 81 - 47 - 10350/4.2=5, 4304=5...(21) QD2 LEU 79 - QG2 THR 74 OK 25 66 - 37 - 2402=6, 8605/2.1=5...(15) QD1 LEU 126 - QG2 THR 74 OK 23 47 - 49 - 9492/2.1=9, 9493/3.2=9...(16) QD1 LEU 126 - QD2 LEU 95 OK 14 71 - 20 - 4304=2, 10253/3.9=2...(4) QD1 ILE 56 - QD1 LEU 79 lone 8 77 - 10 - QD2 LEU 79 - QD2 LEU 72 poor 5 35 - 14 - 2395=2 QD1 ILE 56 - QG2 THR 74 lone 4 44 - 9 - 8623/4.3=3, 8605/2.1=2...(4) QD1 ILE 56 - QD2 LEU 95 lone 2 67 - 2 - QD1 LEU 126 - QD2 LEU 72 lone 2 24 - 6 - QD1 ILE 56 - QD2 LEU 72 lone 1 22 - 5 - Peak 2403 from aliabs.peaks (0.80, 0.80, 22.65 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 79 + QD1 LEU 79 OK 100 100 - 100 QD2 LEU 95 + QD2 LEU 95 OK 92 92 - 100 QG2 THR 74 + QG2 THR 74 OK 66 66 - 100 QD2 LEU 72 - QD2 LEU 72 OK 29 29 - 100 Peak 2405 from aliabs.peaks (8.49, 3.13, 67.65 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 80 + HA VAL 80 OK 100 100 - 100 - 2.8=100 Peak 2406 from aliabs.peaks (3.13, 3.13, 67.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 80 + HA VAL 80 OK 100 100 - 100 Peak 2407 from aliabs.peaks (1.83, 3.13, 67.65 ppm; 3.93 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 80 + HA VAL 80 OK 100 100 - 100 - 3.0=100 HB3 MET 68 - HA VAL 80 OK 44 96 - 46 - 2427/3.2=6, 2414=6...(20) HB2 ARG 141 - HA VAL 80 OK 34 98 - 34 - 2414=6, 2427/3.2=5...(18) HD3 LYS 36 - HA VAL 80 OK 26 94 - 27 - 6873/3.6=5, 6863/2.8=5...(7) HB2 LYS 24 - HA VAL 80 OK 17 72 - 23 - 3.0/8746=6, 3.0/8744=4...(8) HB2 MET 11 - HA VAL 80 OK 12 77 - 15 - 2427/3.2=2, 2421/3.2=2...(6) HB2 LYS 93 - HA VAL 80 OK 10 68 - 15 - 2.9/8745=3, ~8753=1...(5) Peak 2408 from aliabs.peaks (0.81, 3.13, 67.65 ppm; 3.25 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 80 + HA VAL 80 OK 100 100 - 100 - 3.2=100 QD1 LEU 79 + HA VAL 80 OK 53 92 - 57 - ~6860=8, 2398=8...(23) QD2 LEU 126 - HA VAL 80 OK 42 100 - 42 - 2420=7, 2428/3.2=6...(19) QD2 LEU 95 - HA VAL 80 OK 17 85 - 19 - 2.1/2412=3, 6861/2.8=3...(6) QG2 THR 74 - HA VAL 80 OK 13 94 - 14 - 6861/2.8=2, 2361/4.8=2...(4) Peak 2409 from aliabs.peaks (0.91, 3.13, 67.65 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 80 + HA VAL 80 OK 100 100 - 100 - 3.2=100 QG2 ILE 136 - HA VAL 80 OK 15 77 - 20 - 2423/3.2=2, 9600/9581=2...(6) QD1 LEU 97 - HA VAL 80 OK 13 81 - 16 - 10110=3, 6865/2.8=1...(6) QD1 ILE 101 - HA VAL 80 poor 10 77 - 13 - 6865/2.8=2, 2423/3.2=2...(4) QG2 ILE 101 - HA VAL 80 poor 8 68 - 12 - 2423/3.2=2, 6865/2.8=1 HB2 LEU 64 - HA VAL 80 lone 6 72 - 8 - ~6860=2 Peak 2412 from aliabs.peaks (1.77, 3.13, 67.65 ppm; 3.84 A): 4 out of 9 assignments used, quality = 0.93: * HB ILE 83 + HA VAL 80 OK 79 100 - 79 - 2.1/10027=17...(18) HG LEU 66 + HA VAL 80 OK 38 85 - 45 - 2.1/8742=11, 2.1/9983=10...(13) HG LEU 39 + HA VAL 80 OK 37 100 - 37 - 2.1/8742=8, ~11064=5...(14) HG LEU 95 + HA VAL 80 OK 13 77 - 17 - 2.1/2408=3, ~6861=2, 9643/9646=1 HB2 PRO 12 - HA VAL 80 poor 8 77 - 11 - ~8761=2, ~8761=2 HB3 ARG 35 - HA VAL 80 lone 8 100 - 8 - ~8759=1 HG LEU 72 - HA VAL 80 poor 7 72 - 10 - 3.0/2407=1, 9900/8505=1 HB3 MET 59 - HA VAL 80 lone 6 94 - 6 - 8300/10027=1 HB3 ARG 55 - HA VAL 80 lone 5 77 - 6 - 8249/3.2=2, ~6858=1 Peak 2414 from aliabs.peaks (3.13, 1.83, 30.54 ppm; 3.96 A): 1 out of 15 assignments used, quality = 1.00: * HA VAL 80 + HB VAL 80 OK 100 100 - 100 - 3.0=100 HA LEU 79 - HB VAL 80 OK 41 92 - 45 - 2426/2.1=12, 2420/2.1=7...(16) HA VAL 80 - HB3 MET 68 OK 31 65 - 47 - 2407=9, 3.2/2427=6...(20) HA VAL 80 - HB2 ARG 141 OK 30 87 - 35 - 2407=7, 3.2/2427=5...(18) HB3 PHE 106 - HB VAL 80 OK 20 89 - 22 - ~9955=5, 2426/2.1=4...(9) HA LEU 79 - HB2 ARG 141 poor 8 75 - 11 - 4.8/2407=3, 3.6/6863=2 HB3 ASN 96 - HB2 ARG 141 poor 7 48 - 16 - ~10123=4, 10122/3.0=3...(4) HB3 ASN 96 - HB VAL 80 poor 7 62 - 11 - ~9083=3, ~8757=2...(4) HA LEU 79 - HB3 MET 68 poor 6 55 - 11 - 4.8/2407=3, 4.0/8429=2 HD3 ARG 145 - HB VAL 80 lone 3 62 - 4 - 6870/4.7=1 HB3 PHE 106 - HB2 ARG 141 lone 2 71 - 2 - HD3 ARG 145 - HB3 MET 68 lone 2 34 - 4 - HD3 ARG 145 - HB2 ARG 141 lone 1 48 - 2 - HB3 PHE 106 - HB3 MET 68 lone 1 52 - 2 - HB3 ASN 96 - HB3 MET 68 lone 1 34 - 2 - Peak 2415 from aliabs.peaks (1.83, 1.83, 30.54 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 80 + HB VAL 80 OK 100 100 - 100 HB2 ARG 141 + HB2 ARG 141 OK 82 82 - 100 HB3 MET 68 + HB3 MET 68 OK 59 59 - 100 Peak 2416 from aliabs.peaks (0.81, 1.83, 30.54 ppm; 3.06 A): 1 out of 15 assignments used, quality = 1.00: * QG1 VAL 80 + HB VAL 80 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 - HB VAL 80 OK 41 100 - 41 - 2428/2.1=7, 2421=6...(18) QD1 LEU 79 - HB VAL 80 OK 40 92 - 43 - 2428/2.1=6, 2408/3.0=5...(23) QG1 VAL 80 - HB3 MET 68 OK 26 65 - 40 - 8430/1.8=7, 2421=6...(17) QG1 VAL 80 - HB2 ARG 141 OK 24 87 - 27 - 2.1/2427=4, 2421=4...(13) QD2 LEU 95 - HB3 MET 68 OK 24 49 - 48 - 8430/1.8=12...(14) QD1 LEU 79 - HB3 MET 68 OK 15 55 - 28 - 8430/1.8=8, 9930/4.4=6...(5) QD2 LEU 95 - HB VAL 80 OK 11 85 - 12 - 6861/3.7=2, 2428/2.1=2...(4) QG2 THR 74 - HB VAL 80 lone 7 94 - 8 - 2428/2.1=1, 2408/3.0=1 QG2 THR 74 - HB3 MET 68 poor 7 57 - 11 - 8430/1.8=3, 8443/3.6=2...(4) QD2 LEU 126 - HB3 MET 68 lone 6 65 - 10 - 8430/1.8=2, ~10257=2, 2421=1 QD1 LEU 79 - HB2 ARG 141 lone 5 75 - 6 - QD2 LEU 126 - HB2 ARG 141 lone 3 87 - 3 - QD2 LEU 95 - HB2 ARG 141 lone 3 68 - 4 - QG2 THR 74 - HB2 ARG 141 lone 1 77 - 2 - Peak 2417 from aliabs.peaks (0.91, 1.83, 30.54 ppm; 3.40 A): 1 out of 18 assignments used, quality = 1.00: * QG2 VAL 80 + HB VAL 80 OK 100 100 - 100 - 2.1=100 QD1 LEU 97 - HB2 ARG 141 OK 44 64 - 68 - 10132/1.8=8, 2.1/4782=6...(37) QG2 VAL 80 - HB2 ARG 141 OK 31 87 - 36 - 2427=6, 2.1/2421=3...(19) QG2 VAL 80 - HB3 MET 68 OK 30 65 - 45 - 2427=8, ~8430=5...(19) QG2 ILE 136 - HB3 MET 68 OK 21 43 - 50 - ~1965=4, 2.1/1973=3...(35) QG2 ILE 136 - HB VAL 80 OK 18 77 - 23 - 2409/3.0=3, 2423/2.1=3...(12) QD1 LEU 97 - HB VAL 80 OK 13 81 - 15 - 10110/3.0=3, 2423/2.1=2...(4) QD1 ILE 101 - HB VAL 80 OK 12 77 - 15 - 2423/2.1=2, 2409/3.0=2...(4) QG2 ILE 101 - HB VAL 80 OK 10 68 - 15 - 2423/2.1=2, 2409/3.0=2 QG2 ILE 101 - HB3 MET 68 poor 5 37 - 15 - 9169/3.0=2, ~9168=2...(6) QD1 ILE 101 - HB3 MET 68 poor 5 43 - 12 - ~8436=2, ~9168=1, ~9169=1 HB2 LEU 64 - HB VAL 80 lone 4 72 - 6 - ~9948=1, 2409/3.0=1 QD1 LEU 97 - HB3 MET 68 lone 3 46 - 6 - QD1 ILE 101 - HB2 ARG 141 lone 3 60 - 5 - QG2 ILE 101 - HB2 ARG 141 lone 2 52 - 5 - QG2 ILE 136 - HB2 ARG 141 lone 2 60 - 4 - HB2 LEU 64 - HB2 ARG 141 lone 1 56 - 2 - HB2 LEU 64 - HB3 MET 68 lone 0 40 - 1 - Peak 2418 from aliabs.peaks (7.33, 1.83, 30.54 ppm; 5.15 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 81 + HB VAL 80 OK 100 100 - 100 - 4.7=100 H GLU 81 - HB3 MET 68 OK 21 65 - 32 - 8419/4.2=7, 3.6/2407=7...(6) H GLU 81 - HB2 ARG 141 OK 20 87 - 23 - 3.6/2407=6, 4.4/2427=5...(6) QD PHE 43 - HB VAL 80 lone 4 62 - 6 - ~4744=4 QD PHE 43 - HB2 ARG 141 lone 1 48 - 1 - QD PHE 43 - HB3 MET 68 lone 0 34 - 1 - Peak 2420 from aliabs.peaks (3.13, 0.81, 21.79 ppm; 3.44 A): 2 out of 10 assignments used, quality = 1.00: * HA VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 3.2=100 HA LEU 79 + QG1 VAL 80 OK 47 92 - 51 - 3.6/2419=15, 2426/2.1=10...(17) HA VAL 80 - QD2 LEU 126 OK 41 89 - 47 - 2408=10, 3.2/2428=6...(20) HA LEU 79 - QD2 LEU 126 OK 36 77 - 47 - ~10350=12, 2361=7...(12) HB3 PHE 106 - QG1 VAL 80 OK 18 89 - 20 - ~9955=4, 2426/2.1=4...(6) HB3 ASN 96 - QG1 VAL 80 lone 6 62 - 10 - 3.0/9083=3, 1.8/8757=2 HD3 ARG 145 - QD2 LEU 126 lone 5 49 - 10 - ~10257=1 HB3 ASN 96 - QD2 LEU 126 lone 3 49 - 7 - 3.0/9083=3, 1.8/8757=2 HD3 ARG 145 - QG1 VAL 80 lone 2 62 - 4 - 6870/4.2=1 HB3 PHE 106 - QD2 LEU 126 lone 2 73 - 2 - Peak 2421 from aliabs.peaks (1.83, 0.81, 21.79 ppm; 2.66 A): 1 out of 14 assignments used, quality = 1.00: * HB VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 2.1=100 HB3 MET 68 - QG1 VAL 80 OK 28 96 - 29 - 1.8/8430=5, 2427/2.1=4...(9) HB VAL 80 - QD2 LEU 126 OK 28 89 - 31 - 2.1/2428=6, 2416=5...(16) HB2 ARG 141 - QG1 VAL 80 OK 19 98 - 20 - 2427/2.1=3, 2416=3...(5) HB2 LYS 93 - QD2 LEU 126 OK 13 54 - 24 - 4301/2.1=4, 4309=4...(8) HD3 LYS 36 - QG1 VAL 80 OK 11 94 - 11 - 6873/4.2=2, 2427/2.1=2...(4) HB2 LYS 24 - QG1 VAL 80 poor 8 72 - 12 - 3.0/8760=3, 2427/2.1=1, ~8746=1 HB2 MET 11 - QG1 VAL 80 lone 7 77 - 9 - 2427/2.1=1, 3.0/9990=1 HB3 MET 68 - QD2 LEU 126 lone 6 82 - 7 - 1.8/8430=2, ~10257=1 HB2 LYS 93 - QG1 VAL 80 lone 6 68 - 8 - HD3 LYS 36 - QD2 LEU 126 lone 2 79 - 3 - HB2 ARG 141 - QD2 LEU 126 lone 2 84 - 2 - HB2 MET 11 - QD2 LEU 126 lone 2 62 - 3 - HB2 LYS 24 - QD2 LEU 126 lone 1 58 - 1 - Peak 2422 from aliabs.peaks (0.81, 0.81, 21.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 80 + QG1 VAL 80 OK 100 100 - 100 QD2 LEU 126 + QD2 LEU 126 OK 89 89 - 100 Peak 2423 from aliabs.peaks (0.91, 0.81, 21.79 ppm; 2.61 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 80 + QG1 VAL 80 OK 100 100 - 100 - 2.1=100 QG2 VAL 80 - QD2 LEU 126 OK 31 89 - 35 - 2428=10, 2.1/2416=3...(13) HB2 LEU 64 - QD2 LEU 126 OK 14 58 - 25 - 3.1/4311=3, 1821/2.1=2...(15) QG2 ILE 136 - QG1 VAL 80 OK 11 77 - 14 - 2409/3.2=1, 2417/2.1=1 QD1 ILE 101 - QG1 VAL 80 poor 9 77 - 11 - 5.0/8766=1, 2409/3.2=1 QG2 ILE 101 - QG1 VAL 80 poor 8 68 - 11 - 4.0/8766=2 QD1 LEU 97 - QG1 VAL 80 lone 7 81 - 9 - 10110/3.2=1 QG2 ILE 136 - QD2 LEU 126 lone 3 62 - 5 - HB2 LEU 64 - QG1 VAL 80 lone 3 72 - 4 - QD1 ILE 101 - QD2 LEU 126 lone 1 62 - 2 - QG2 ILE 101 - QD2 LEU 126 lone 1 54 - 2 - QD1 LEU 97 - QD2 LEU 126 lone 1 66 - 1 - Peak 2426 from aliabs.peaks (3.13, 0.91, 24.85 ppm; 3.03 A): 2 out of 5 assignments used, quality = 0.96: * HA VAL 80 + QG2 VAL 80 OK 93 100 - 93 - 3.2=85, 2.8/2425=21...(11) HA LEU 79 + QG2 VAL 80 OK 43 92 - 47 - 3.6/2425=17, 4.8/2409=7...(19) HB3 PHE 106 - QG2 VAL 80 OK 15 89 - 17 - 2.5/9955=3, 4.0/9225=2...(7) HB3 ASN 96 - QG2 VAL 80 lone 4 62 - 7 - ~9083=1, ~8757=1 HD3 ARG 145 - QG2 VAL 80 lone 2 62 - 3 - Peak 2427 from aliabs.peaks (1.83, 0.91, 24.85 ppm; 2.93 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 80 + QG2 VAL 80 OK 100 100 - 100 - 2.1=100 HB3 MET 68 - QG2 VAL 80 OK 32 96 - 33 - 2421/2.1=4, ~8430=4...(14) HB2 ARG 141 - QG2 VAL 80 OK 26 98 - 26 - 2417=3, 2421/2.1=3...(12) HD3 LYS 36 - QG2 VAL 80 OK 14 94 - 14 - 6873/4.4=2, 6863/4.0=2...(4) HB2 LYS 24 - QG2 VAL 80 OK 11 72 - 16 - 3.0/8748=2, ~8760=2...(8) HB2 MET 11 - QG2 VAL 80 poor 9 77 - 11 - 1.8/9987=2, 2421/2.1=1 HB2 LYS 93 - QG2 VAL 80 poor 7 68 - 11 - 2.9/8753=2 Peak 2428 from aliabs.peaks (0.81, 0.91, 24.85 ppm; 2.52 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 80 + QG2 VAL 80 OK 100 100 - 100 - 2.1=100 QD2 LEU 126 - QG2 VAL 80 OK 32 100 - 32 - 2423=7, 2416/2.1=3...(11) QD1 LEU 79 - QG2 VAL 80 OK 29 92 - 32 - 2408/3.2=3, 6861/4.0=3...(13) QD2 LEU 95 - QG2 VAL 80 poor 9 85 - 10 - 6861/4.0=1, 2408/3.2=1 QG2 THR 74 - QG2 VAL 80 lone 6 94 - 7 - Peak 2429 from aliabs.peaks (0.91, 0.91, 24.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 80 + QG2 VAL 80 OK 100 100 - 100 Peak 2431 from aliabs.peaks (7.33, 4.03, 58.92 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 81 + HA GLU 81 OK 100 100 - 100 - 2.9=100 H GLU 81 - HA GLU 37 OK 35 73 - 49 - 6876=8, 4.0/2442=6...(18) QD PHE 43 - HA GLU 81 lone 4 62 - 7 - 2462/3.7=1, 2455/3.7=1...(4) QD PHE 43 - HA GLU 37 lone 1 39 - 2 - Peak 2432 from aliabs.peaks (4.03, 4.03, 58.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 81 + HA GLU 81 OK 100 100 - 100 HA GLU 37 + HA GLU 37 OK 72 72 - 100 Peak 2433 from aliabs.peaks (1.74, 4.03, 58.92 ppm; 3.37 A): 2 out of 16 assignments used, quality = 1.00: * HB2 GLU 81 + HA GLU 81 OK 100 100 - 100 - 3.0=100 HB3 GLU 81 + HA GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HA GLU 81 OK 36 94 - 38 - 2442=6, 2441/2.9=4...(15) HB2 GLU 81 - HA GLU 37 OK 32 73 - 44 - 2442=8, 1.8/2449=6...(14) HD2 LYS 36 - HA GLU 37 OK 29 64 - 45 - ~6223=7, 2442=6, ~726=6...(14) HB2 ARG 49 - HA GLU 81 OK 21 100 - 21 - ~8777=4, ~1258=2...(7) HB3 GLU 81 - HA GLU 37 OK 20 49 - 40 - 1.8/2442=6, 2449=5...(14) HB ILE 58 - HA GLU 81 OK 17 94 - 18 - 3.2/8284=4, 3.0/11447=3...(5) HB3 ARG 144 - HA GLU 81 OK 14 89 - 16 - 2464/3.7=2, 2457/3.7=2...(5) HG3 ARG 140 - HA GLU 81 lone 7 100 - 7 - HB ILE 58 - HA GLU 37 lone 5 64 - 7 - 3.2/8284=2, 3.0/11447=2 HB3 ARG 144 - HA GLU 37 lone 4 59 - 8 - 6222/2.8=2, 653/4.9=2, ~6218=2 HG3 ARG 89 - HA GLU 81 lone 4 68 - 6 - HB2 ARG 49 - HA GLU 37 lone 4 73 - 5 - 653/4.9=1, 6222/2.8=1 HG3 ARG 140 - HA GLU 37 lone 1 73 - 2 - HG3 ARG 89 - HA GLU 37 lone 1 42 - 1 - Peak 2434 from aliabs.peaks (1.73, 4.03, 58.92 ppm; 3.44 A): 2 out of 20 assignments used, quality = 1.00: * HB3 GLU 81 + HA GLU 81 OK 100 100 - 100 - 3.0=100 HB2 GLU 81 + HA GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HA GLU 81 OK 40 98 - 41 - 2449=6, 2448/2.9=4...(17) HD2 LYS 36 - HA GLU 37 OK 32 69 - 47 - ~6223=8, 2449=7...(14) HB3 GLU 81 - HA GLU 37 OK 32 73 - 43 - 2449=8, 1.8/2442=6...(14) HB3 ARG 109 - HA GLU 81 OK 26 98 - 27 - 3540/2.9=3, 6890/3.6=3...(13) HB2 LYS 85 - HA GLU 81 OK 24 92 - 26 - 3.9/6948=7, 2580/4.8=6...(7) HB2 GLU 81 - HA GLU 37 OK 20 49 - 42 - 1.8/2449=6, 2442=6...(14) HB ILE 58 - HA GLU 81 OK 18 98 - 18 - 3.2/8284=4, 3.0/11447=3...(5) HB3 ARG 144 - HA GLU 81 OK 17 100 - 17 - ~4886=2, 2458/3.7=2...(6) HB2 ARG 49 - HA GLU 81 OK 13 68 - 19 - ~8777=5, ~1258=2...(7) HG3 ARG 89 - HA GLU 81 lone 8 100 - 7 - HB3 ARG 144 - HA GLU 37 lone 6 72 - 8 - 6222/2.8=2, 653/4.9=2, ~6218=2 HB ILE 58 - HA GLU 37 lone 5 69 - 7 - 3.2/8284=2, 3.0/11447=2 HG3 ARG 140 - HA GLU 81 lone 4 72 - 6 - HB2 LYS 85 - HA GLU 37 lone 4 62 - 6 - 3.9/6948=3 HB3 ARG 109 - HA GLU 37 lone 3 69 - 4 - HB2 ARG 49 - HA GLU 37 lone 2 42 - 5 - 653/4.9=2, 6222/2.8=1 HG3 ARG 89 - HA GLU 37 lone 1 73 - 2 - HG3 ARG 140 - HA GLU 37 lone 1 46 - 2 - Peak 2435 from aliabs.peaks (2.15, 4.03, 58.92 ppm; 3.76 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 81 + HA GLU 81 OK 100 100 - 100 - 3.7=100 HG2 GLU 81 - HA GLU 37 OK 25 73 - 35 - 2456=10, 1.8/2463=7...(8) HG3 PRO 118 - HA GLU 81 OK 16 92 - 17 - 2445/3.0=3, 2452/3.0=3...(5) HB3 GLN 133 - HA GLU 81 OK 14 89 - 16 - 6879/2.9=2, 2466/3.7=2...(8) HB2 GLN 133 - HA GLU 81 OK 13 85 - 16 - 6879/2.9=2, ~6879=2...(9) HG LEU 29 - HA GLU 81 lone 6 99 - 6 - 2466/3.7=2, 2452/3.0=1 HG3 PRO 118 - HA GLU 37 lone 3 62 - 6 - 3977/4.9=2, ~6219=1 HG LEU 29 - HA GLU 37 lone 1 70 - 2 - HB3 GLN 133 - HA GLU 37 lone 1 59 - 1 - HB2 GLN 133 - HA GLU 37 lone 1 56 - 1 - Peak 2436 from aliabs.peaks (2.29, 4.03, 58.92 ppm; 3.92 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 81 + HA GLU 81 OK 100 100 - 100 - 3.7=100 HG3 GLU 81 - HA GLU 37 OK 27 73 - 37 - 2463=10, 1.8/2456=8...(9) HG3 GLU 120 - HA GLU 81 OK 18 99 - 18 - 3.0/2439=3, 2446/3.0=3...(10) HG3 GLU 75 - HA GLU 81 OK 17 99 - 17 - 6880/2.9=3, 6892/3.6=3...(6) HG2 GLU 120 - HA GLU 81 OK 11 85 - 13 - 3.0/2439=3, 2446/3.0=2...(6) HG3 GLU 120 - HA GLU 37 lone 5 70 - 7 - 4036/4.9=2, 3.0/2439=2, ~8105=1 HG2 GLU 120 - HA GLU 37 lone 3 56 - 6 - 3.0/2439=2, 4029/4.9=1, ~8105=1 HG3 GLU 75 - HA GLU 37 lone 2 70 - 3 - Peak 2439 from aliabs.peaks (2.72, 4.03, 58.92 ppm; 3.87 A): 4 out of 12 assignments used, quality = 0.67: * HB2 ASN 84 + HA GLU 81 OK 46 100 - 47 - 1.8/2440=17, 2553=14...(6) HB2 ASN 84 + HA GLU 37 OK 18 73 - 25 - 1.8/2440=8, 2553=7...(6) HB3 MET 46 + HA GLU 37 OK 15 73 - 20 - ~10682=5, ~8172=5...(6) HB3 GLU 120 + HA GLU 81 OK 12 100 - 12 - 3.0/2436=3, 3.0/2436=2...(5) HB3 GLU 120 - HA GLU 37 poor 9 73 - 12 - 6244/3.6=4, 789/4.9=3 HB3 TYR 70 - HA GLU 37 poor 8 70 - 11 - 6244/3.6=5, 789/4.9=3 HB3 TYR 70 - HA GLU 81 lone 7 99 - 7 - 2072/4.9=2, ~6872=1 HB3 MET 46 - HA GLU 81 lone 3 100 - 3 - HB3 CYS 121 - HA GLU 81 lone 3 62 - 4 - 4.7/2437=2 HB3 CYS 121 - HA GLU 37 lone 1 39 - 2 - 4.7/2437=1 HB3 ASP 13 - HA GLU 81 lone 1 100 - 1 - HB3 ASP 13 - HA GLU 37 lone 1 72 - 1 - Peak 2440 from aliabs.peaks (2.79, 4.03, 58.92 ppm; 3.89 A): 4 out of 12 assignments used, quality = 0.67: * HB3 ASN 84 + HA GLU 81 OK 43 100 - 43 - 1.8/2439=14, 2561=13...(5) HB3 ASN 139 + HA GLU 81 OK 18 81 - 23 - 3.5/9744=7, 1.8/757=4...(6) HB3 ASN 84 + HA GLU 37 OK 18 73 - 25 - 2561=8, 1.8/2553=6...(6) HB3 ASP 41 + HA GLU 37 OK 12 67 - 19 - 797/4.9=12, 3.8/6289=7 HG3 GLN 111 - HA GLU 81 poor 10 92 - 11 - ~6879=3, 1.8/2435=2, 3649/3.7=1 HB3 TYR 119 - HA GLU 37 poor 7 53 - 13 - ~4753=3, ~10303=3...(4) HB3 ASP 41 - HA GLU 81 lone 5 96 - 5 - 3.8/6289=3 HB3 ASN 139 - HA GLU 37 lone 5 53 - 9 - 3.5/9744=3, 1.8/757=2, 797/4.9=1 HB3 TYR 119 - HA GLU 81 lone 4 81 - 5 - 2557/2439=1, 6931/2438=1 HB2 ASN 128 - HA GLU 81 lone 4 81 - 5 - 4338/4.8=3 HG3 GLN 111 - HA GLU 37 lone 2 62 - 3 - HB2 ASN 128 - HA GLU 37 lone 1 53 - 2 - Peak 2441 from aliabs.peaks (7.33, 1.74, 29.11 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 4.0=100 H GLU 81 - HD2 LYS 36 OK 28 67 - 41 - 6873/1.8=11, 3.5/8767=6...(11) QD PHE 43 - HB2 GLU 81 lone 4 62 - 6 - 2462/3.0=1, 2455/3.0=1 QD PHE 43 - HD2 LYS 36 lone 1 35 - 2 - Peak 2442 from aliabs.peaks (4.03, 1.74, 29.11 ppm; 3.35 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 3.0=100 HA GLU 37 - HB2 GLU 81 OK 38 100 - 39 - 2456/3.0=4, 2463/3.0=4...(14) HA GLU 37 - HD2 LYS 36 OK 28 66 - 43 - ~6223=7, ~726=6...(14) HA GLU 81 - HD2 LYS 36 OK 25 67 - 37 - 2433=5, 2.9/2441=4...(15) HA LYS 123 - HB2 GLU 81 OK 13 100 - 13 - 2463/3.0=2, 2456/3.0=2...(4) HA VAL 63 - HB2 GLU 81 lone 9 94 - 10 - 6876/4.0=1, 2456/3.0=1...(4) HB THR 107 - HB2 GLU 81 lone 7 100 - 7 - 6876/4.0=1 HA VAL 63 - HD2 LYS 36 lone 2 59 - 3 - ~10934=1 HB THR 107 - HD2 LYS 36 lone 2 67 - 3 - HA LYS 123 - HD2 LYS 36 lone 1 67 - 1 - Peak 2443 from aliabs.peaks (1.74, 1.74, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 81 + HB2 GLU 81 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 59 59 - 100 Peak 2444 from aliabs.peaks (1.73, 1.74, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 0.91: HB2 GLU 81 + HB2 GLU 81 OK 77 77 - 100 HD2 LYS 36 + HD2 LYS 36 OK 63 63 - 100 Reference assignment not found: HB3 GLU 81 - HB2 GLU 81 Peak 2445 from aliabs.peaks (2.15, 1.74, 29.11 ppm; 3.12 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 3.0=100 HG2 GLU 81 - HD2 LYS 36 OK 21 67 - 31 - 2457=5, 1.8/2446=5...(11) HG3 PRO 118 - HB2 GLU 81 OK 17 92 - 18 - 2466/3.0=3, 2435/3.0=2...(4) HG3 PRO 118 - HD2 LYS 36 OK 16 56 - 29 - ~719=3, ~719=3...(16) HB3 GLN 133 - HB2 GLU 81 poor 9 89 - 10 - 2466/3.0=2, 2435/3.0=2, ~2435=1 HB2 GLN 133 - HB2 GLU 81 poor 9 85 - 10 - 2466/3.0=2, 2435/3.0=1 HG LEU 29 - HB2 GLU 81 lone 6 99 - 6 - 2466/3.0=2 HG LEU 29 - HD2 LYS 36 lone 3 64 - 4 - ~8063=2, ~8063=1, ~9779=1 HB3 GLN 133 - HD2 LYS 36 lone 1 54 - 1 - HB2 GLN 133 - HD2 LYS 36 lone 1 51 - 1 - Peak 2446 from aliabs.peaks (2.29, 1.74, 29.11 ppm; 3.28 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 81 + HB2 GLU 81 OK 100 100 - 100 - 3.0=100 HG3 GLU 81 - HD2 LYS 36 OK 23 67 - 34 - 2464=6, 1.8/2445=4...(13) HG3 GLU 75 - HB2 GLU 81 OK 14 99 - 15 - 2460/3.0=3, 2436/3.0=2...(5) HG3 GLU 120 - HB2 GLU 81 OK 13 99 - 13 - 2460/3.0=2, 2436/3.0=2 HG2 GLU 120 - HB2 GLU 81 poor 9 85 - 11 - 2460/3.0=2, ~2460=1...(4) HG3 GLU 75 - HD2 LYS 36 lone 1 64 - 2 - HG3 GLU 120 - HD2 LYS 36 lone 1 64 - 1 - HG2 GLU 120 - HD2 LYS 36 lone 0 51 - 1 - Peak 2447 from aliabs.peaks (7.63, 1.74, 29.11 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 82 + HB2 GLU 81 OK 100 100 - 100 - 4.6=94, 6887/4.0=28...(26) H LEU 66 - HB2 GLU 81 OK 43 98 - 44 - 6640/1.8=8, 6881/4.0=8...(10) H VAL 82 - HD2 LYS 36 OK 22 67 - 32 - 3.4/2441=7, 3.2/8783=6...(10) H LEU 66 - HD2 LYS 36 OK 11 63 - 18 - 4.5/8785=2, 3.6/8385=2...(8) Peak 2448 from aliabs.peaks (7.33, 1.73, 29.11 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 4.0=100 H GLU 81 - HD2 LYS 36 OK 31 79 - 40 - 6873/1.8=11, 2.9/2449=5...(10) QD PHE 43 - HB3 GLU 81 lone 4 62 - 7 - 2462/3.0=1, 2455/3.0=1 QD PHE 43 - HD2 LYS 36 lone 1 42 - 3 - Peak 2449 from aliabs.peaks (4.03, 1.73, 29.11 ppm; 3.37 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 3.0=100 HA GLU 37 - HB3 GLU 81 OK 36 100 - 37 - 2456/3.0=5, 2463/3.0=4...(14) HA GLU 37 - HD2 LYS 36 OK 33 77 - 43 - ~6223=7, ~726=6...(14) HA GLU 81 - HD2 LYS 36 OK 30 79 - 38 - 2434=4, 2.9/2448=4...(15) HA LYS 123 - HB3 GLU 81 OK 12 100 - 12 - 2463/3.0=2, 2456/3.0=2...(4) HA VAL 63 - HB3 GLU 81 lone 9 94 - 10 - 6876/4.0=1, 2456/3.0=1...(4) HB THR 107 - HB3 GLU 81 lone 7 100 - 6 - 6876/4.0=1 HA VAL 63 - HD2 LYS 36 lone 2 70 - 3 - ~10934=1 HB THR 107 - HD2 LYS 36 lone 2 78 - 2 - HA LYS 123 - HD2 LYS 36 lone 1 78 - 1 - Peak 2450 from aliabs.peaks (1.74, 1.73, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: HB3 GLU 81 + HB3 GLU 81 OK 77 77 - 100 HD2 LYS 36 + HD2 LYS 36 OK 70 70 - 100 Reference assignment not found: HB2 GLU 81 - HB3 GLU 81 Peak 2451 from aliabs.peaks (1.73, 1.73, 29.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 81 + HB3 GLU 81 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 74 74 - 100 Peak 2452 from aliabs.peaks (2.15, 1.73, 29.11 ppm; 3.08 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 3.0=100 HG2 GLU 81 - HD2 LYS 36 OK 24 79 - 31 - 2458=5, 1.8/2453=5...(11) HG3 PRO 118 - HD2 LYS 36 OK 19 67 - 28 - ~719=3, ~719=3...(14) HG3 PRO 118 - HB3 GLU 81 OK 16 92 - 18 - 2466/3.0=3, 2435/3.0=2...(4) HB3 GLN 133 - HB3 GLU 81 lone 9 89 - 10 - 2466/3.0=2, 2435/3.0=1 HB2 GLN 133 - HB3 GLU 81 lone 9 85 - 10 - 2466/3.0=1, 2435/3.0=1 HG LEU 29 - HB3 GLU 81 lone 6 99 - 6 - 2466/3.0=2 HG LEU 29 - HD2 LYS 36 lone 3 76 - 4 - ~8063=1, ~8063=1, ~9779=1 HB3 GLN 133 - HD2 LYS 36 lone 1 64 - 1 - HB2 GLN 133 - HD2 LYS 36 lone 1 61 - 1 - Peak 2453 from aliabs.peaks (2.29, 1.73, 29.11 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 81 + HB3 GLU 81 OK 100 100 - 100 - 3.0=100 HG3 GLU 81 - HD2 LYS 36 OK 26 79 - 34 - 2465=5, 1.8/2452=5...(12) HG3 GLU 75 - HB3 GLU 81 OK 14 99 - 14 - 2460/3.0=3, 2436/3.0=2...(5) HG3 GLU 120 - HB3 GLU 81 OK 13 99 - 13 - 2460/3.0=2, 2436/3.0=2 HG2 GLU 120 - HB3 GLU 81 poor 9 85 - 11 - 2460/3.0=2, ~2460=1...(4) HG3 GLU 75 - HD2 LYS 36 lone 1 76 - 2 - HG3 GLU 120 - HD2 LYS 36 lone 1 76 - 1 - HG2 GLU 120 - HD2 LYS 36 lone 0 61 - 1 - Peak 2454 from aliabs.peaks (7.63, 1.73, 29.11 ppm; 4.69 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 82 + HB3 GLU 81 OK 100 100 - 100 - 4.6=100 H LEU 66 + HB3 GLU 81 OK 51 98 - 52 - 6640=9, 6881/4.0=9...(13) H VAL 82 - HD2 LYS 36 OK 27 79 - 34 - 3.4/2448=7, ~6873=6...(11) H LEU 66 - HD2 LYS 36 OK 19 74 - 26 - 6640=4, 3.9/1886=3...(9) Peak 2455 from aliabs.peaks (7.33, 2.15, 35.27 ppm; 6.49 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 4.9=100 QD PHE 43 - HG2 GLU 81 poor 9 62 - 14 - 2462/1.8=3, 11402/8781=2...(6) Peak 2456 from aliabs.peaks (4.03, 2.15, 35.27 ppm; 4.20 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 3.7=100 HA GLU 37 - HG2 GLU 81 OK 38 100 - 38 - 2463/1.8=8, 2435=7...(9) HA LYS 123 - HG2 GLU 81 OK 15 100 - 15 - 2463/1.8=4, 2442/3.0=2...(6) HA VAL 63 - HG2 GLU 81 OK 10 94 - 11 - 2463/1.8=2, 6876/4.9=2...(5) HB THR 107 - HG2 GLU 81 lone 8 100 - 8 - 2463/1.8=2, 6876/4.9=1...(4) Peak 2457 from aliabs.peaks (1.74, 2.15, 35.27 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 3.0=100 HB3 GLU 81 + HG2 GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HG2 GLU 81 OK 32 94 - 34 - 2445=6, 2446/1.8=5...(12) HB2 ARG 49 - HG2 GLU 81 OK 22 100 - 22 - 3.7/10983=5, 1.8/8780=4...(6) HB3 ARG 144 - HG2 GLU 81 OK 20 89 - 22 - 3.0/8768=4, 2464/1.8=3...(7) HB ILE 58 - HG2 GLU 81 lone 9 94 - 10 - 8282/3.7=2, 8271/8780=1 HG3 ARG 140 - HG2 GLU 81 lone 6 100 - 6 - HG3 ARG 89 - HG2 GLU 81 lone 4 68 - 5 - Peak 2458 from aliabs.peaks (1.73, 2.15, 35.27 ppm; 3.31 A): 3 out of 10 assignments used, quality = 1.00: * HB3 GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 3.0=100 HB2 GLU 81 + HG2 GLU 81 OK 77 77 - 100 - 3.0=100 HB2 LYS 85 + HG2 GLU 81 OK 47 92 - 51 - 3.0/8780=11, 3.0/8779=9...(15) HD2 LYS 36 - HG2 GLU 81 OK 36 98 - 36 - 2452=6, 2453/1.8=6...(13) HB3 ARG 144 - HG2 GLU 81 OK 24 100 - 24 - 3.0/8768=4, 2465/1.8=3...(7) HB3 ARG 109 - HG2 GLU 81 OK 20 98 - 20 - ~8786=3, 4.0/2455=3...(8) HB2 ARG 49 - HG2 GLU 81 OK 14 68 - 21 - 3.7/10983=5, 1.8/8780=4...(5) HB ILE 58 - HG2 GLU 81 poor 10 98 - 10 - 8282/3.7=2, 8271/8780=1 HG3 ARG 89 - HG2 GLU 81 lone 6 100 - 6 - HG3 ARG 140 - HG2 GLU 81 lone 4 72 - 5 - Peak 2459 from aliabs.peaks (2.15, 2.15, 35.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 81 + HG2 GLU 81 OK 100 100 - 100 Peak 2460 from aliabs.peaks (2.29, 2.15, 35.27 ppm; 2.81 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 81 + HG2 GLU 81 OK 100 100 - 100 - 1.8=100 HG3 GLU 75 - HG2 GLU 81 OK 13 99 - 13 - 2446/3.0=2, 2453/3.0=2...(5) HG3 GLU 120 - HG2 GLU 81 OK 11 99 - 11 - 4039/1.8=2, 2446/3.0=2...(4) HG2 GLU 120 - HG2 GLU 81 lone 7 85 - 8 - 2446/3.0=1, 2453/3.0=1 Peak 2462 from aliabs.peaks (7.33, 2.29, 35.27 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 4.9=100 QD PHE 43 - HG3 GLU 81 poor 7 62 - 11 - 2455/1.8=2, 2448/3.0=1...(5) Peak 2463 from aliabs.peaks (4.03, 2.29, 35.27 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 3.7=100 HA GLU 37 - HG3 GLU 81 OK 38 100 - 39 - 2456/1.8=9, 2436=7...(9) HA LYS 123 - HG3 GLU 81 OK 16 100 - 16 - 2456/1.8=3, 2442/3.0=2...(8) HA VAL 63 - HG3 GLU 81 poor 10 94 - 11 - 2456/1.8=2, 6876/4.9=2...(5) HB THR 107 - HG3 GLU 81 lone 9 100 - 8 - 2456/1.8=2, 6876/4.9=1...(4) Peak 2464 from aliabs.peaks (1.74, 2.29, 35.27 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 3.0=100 HB3 GLU 81 + HG3 GLU 81 OK 77 77 - 100 - 3.0=100 HD2 LYS 36 - HG3 GLU 81 OK 33 94 - 36 - 2446=7, 2445/1.8=4...(14) HB3 ARG 144 - HG3 GLU 81 OK 20 89 - 23 - 3.0/8773=4, 2457/1.8=3...(7) HB2 ARG 49 - HG3 GLU 81 OK 18 100 - 18 - ~8780=3, 2457/1.8=3...(5) HB ILE 58 - HG3 GLU 81 lone 9 94 - 9 - 8282/3.7=2, 2457/1.8=1 HG3 ARG 140 - HG3 GLU 81 lone 6 100 - 6 - HG3 ARG 89 - HG3 GLU 81 lone 4 68 - 6 - Peak 2465 from aliabs.peaks (1.73, 2.29, 35.27 ppm; 3.33 A): 3 out of 10 assignments used, quality = 1.00: * HB3 GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 3.0=100 HB2 GLU 81 + HG3 GLU 81 OK 77 77 - 100 - 3.0=100 HB2 LYS 85 + HG3 GLU 81 OK 48 92 - 52 - 3.0/8787=9, 3.6/8786=8...(16) HD2 LYS 36 - HG3 GLU 81 OK 36 98 - 37 - 2453=8, 2452/1.8=5...(13) HB3 ARG 144 - HG3 GLU 81 OK 23 100 - 23 - 3.0/8773=4, 2458/1.8=3...(7) HB3 ARG 109 - HG3 GLU 81 OK 19 98 - 20 - 2.8/8786=4, 4.0/2462=3...(7) HB2 ARG 49 - HG3 GLU 81 OK 11 68 - 17 - ~8780=3, 2457/1.8=2...(4) HB ILE 58 - HG3 GLU 81 lone 9 98 - 9 - 8282/3.7=2, 8271/8787=1 HG3 ARG 89 - HG3 GLU 81 lone 6 100 - 6 - HG3 ARG 140 - HG3 GLU 81 lone 4 72 - 5 - Peak 2466 from aliabs.peaks (2.15, 2.29, 35.27 ppm; 2.92 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 81 + HG3 GLU 81 OK 100 100 - 100 - 1.8=100 HG3 PRO 118 - HG3 GLU 81 OK 15 92 - 16 - 2445/3.0=2, 2452/3.0=2...(7) HG LEU 29 - HG3 GLU 81 lone 8 99 - 8 - 10042/8787=1 HB3 GLN 133 - HG3 GLU 81 lone 8 89 - 9 - 2445/3.0=1, 2435/3.7=1 HB2 GLN 133 - HG3 GLU 81 lone 8 85 - 9 - 2445/3.0=1, 2435/3.7=1 Peak 2467 from aliabs.peaks (2.29, 2.29, 35.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 81 + HG3 GLU 81 OK 100 100 - 100 Peak 2470 from aliabs.peaks (2.99, 2.99, 66.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 82 + HA VAL 82 OK 100 100 - 100 Peak 2471 from aliabs.peaks (1.39, 2.99, 66.39 ppm; 4.25 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 82 + HA VAL 82 OK 100 100 - 100 - 3.0=100 HB2 ARG 109 + HA VAL 82 OK 55 100 - 55 - 1.8/2476=8, 2487/2.4=6...(21) HG LEU 132 - HA VAL 82 OK 38 68 - 56 - 3.0/8816=24, ~8817=6...(18) HG2 LYS 86 - HA VAL 82 OK 36 100 - 36 - 3.0/2476=7, 2487/2.4=5...(14) HG2 LYS 36 - HA VAL 82 OK 31 81 - 38 - ~8807=3, 2487/2.4=3...(21) HB2 LEU 69 - HA VAL 82 OK 31 92 - 34 - 2493/3.2=4, 2487/2.4=3...(17) HG2 ARG 49 - HA VAL 82 OK 28 98 - 28 - 2493/3.2=3, 2487/2.4=3...(12) HB3 LEU 39 - HA VAL 82 OK 25 62 - 39 - 3.2/8118=5, ~9987=4...(19) HB2 ARG 35 - HA VAL 82 OK 11 68 - 17 - 10801/2.9=8, ~8799=2...(5) HG LEU 116 - HA VAL 82 lone 7 77 - 10 - ~8809=2, 2487/2.4=2, ~8809=1 Peak 2472 from aliabs.peaks (-1.11, 2.99, 66.39 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + HA VAL 82 OK 100 100 - 100 - 2.4=100 Peak 2473 from aliabs.peaks (0.44, 2.99, 66.39 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 82 + HA VAL 82 OK 100 100 - 100 - 3.2=100 HG2 LYS 114 - HA VAL 82 OK 35 85 - 41 - 2489/2.4=9, 2483/3.0=8...(10) Peak 2476 from aliabs.peaks (1.72, 2.99, 66.39 ppm; 4.16 A): 3 out of 8 assignments used, quality = 0.96: HB3 GLU 81 + HA VAL 82 OK 77 92 - 83 - 2454/2.9=14, ~8783=14...(20) * HB2 LYS 85 + HA VAL 82 OK 64 100 - 65 - 2580=22, 1.8/2592=19...(13) HB3 ARG 109 + HA VAL 82 OK 51 100 - 51 - 1.8/2471=6, 2.8/8818=5...(19) HD2 LYS 93 - HA VAL 82 OK 20 77 - 26 - ~11717=4, ~3078=4...(12) HD2 LYS 36 - HA VAL 82 OK 16 72 - 22 - 2454/2.9=3, 2.9/2471=3...(10) HB3 ARG 144 - HA VAL 82 OK 10 81 - 12 - ~8801=3, ~8801=3...(4) HB ILE 58 - HA VAL 82 poor 8 72 - 11 - ~11009=2, ~11566=2...(5) HG3 ARG 89 - HA VAL 82 lone 4 96 - 5 - ~8806=1 Peak 2477 from aliabs.peaks (1.86, 2.99, 66.39 ppm; 4.40 A): 3 out of 9 assignments used, quality = 0.96: HB3 LYS 76 + HA VAL 82 OK 80 94 - 85 - 8657/3.2=27, ~8655=19...(19) * HB3 LYS 85 + HA VAL 82 OK 66 100 - 66 - 2592=26, 1.8/2580=23...(9) HB3 LEU 126 + HA VAL 82 OK 45 98 - 46 - ~10339=14, ~10250=7...(12) HG LEU 69 - HA VAL 82 OK 29 96 - 30 - ~8800=4, 3.0/2471=3...(15) HB2 LYS 36 - HA VAL 82 OK 23 89 - 26 - 8801/3.2=6, 3.0/2471=3...(12) HB2 LYS 48 - HA VAL 82 OK 23 100 - 23 - 8801/3.2=5, ~8801=4...(8) HB3 LYS 48 - HA VAL 82 OK 20 89 - 23 - 8801/3.2=5, ~8825=4...(7) HB2 ARG 144 - HA VAL 82 OK 13 96 - 13 - 8801/3.2=5, ~11010=2, 1.8/2476=2 HB3 GLU 28 - HA VAL 82 lone 8 92 - 8 - 9776/4.8=5 Peak 2478 from aliabs.peaks (3.14, 1.39, 30.17 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.92: * HA LEU 79 + HB VAL 82 OK 79 100 - 79 - 8794/2.1=37, 8714/2.1=19...(10) HA VAL 80 + HB VAL 82 OK 59 92 - 64 - 8743/2.1=26, 2411/4.5=17...(9) HB2 TYR 70 + HB VAL 82 OK 13 92 - 14 - 9987/2.1=6, 3.6/6705=1...(5) Peak 2479 from aliabs.peaks (7.63, 1.39, 30.17 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 82 + HB VAL 82 OK 100 100 - 100 - 4.0=100 H LEU 66 + HB VAL 82 OK 54 98 - 55 - 2491/2.1=17, 2485/2.1=15...(9) Peak 2480 from aliabs.peaks (2.99, 1.39, 30.17 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 82 + HB VAL 82 OK 100 100 - 100 - 3.0=100 HB3 ASN 128 - HB VAL 82 OK 42 98 - 42 - 2486/2.1=9, 2492/2.1=9...(11) HA VAL 71 - HB VAL 82 OK 31 81 - 39 - 2492/2.1=8, 2486/2.1=8...(13) Peak 2481 from aliabs.peaks (1.39, 1.39, 30.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 82 + HB VAL 82 OK 100 100 - 100 Peak 2482 from aliabs.peaks (-1.11, 1.39, 30.17 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + HB VAL 82 OK 100 100 - 100 - 2.1=100 Peak 2483 from aliabs.peaks (0.44, 1.39, 30.17 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 82 + HB VAL 82 OK 100 100 - 100 - 2.1=100 HG2 LYS 114 - HB VAL 82 OK 42 85 - 49 - 2489/2.1=10, ~3780=8...(9) Peak 2485 from aliabs.peaks (7.63, -1.11, 18.38 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 4.0=100 H LEU 66 + QG1 VAL 82 OK 52 98 - 53 - 2491/2.1=16, 2479/2.1=11...(16) Peak 2486 from aliabs.peaks (2.99, -1.11, 18.38 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 2.4=100 HB3 ASN 128 - QG1 VAL 82 OK 36 98 - 36 - 2492/2.1=8, 2480/2.1=7...(11) HA VAL 71 - QG1 VAL 82 OK 32 81 - 39 - 2492/2.1=7, 3.6/9982=6...(17) Peak 2487 from aliabs.peaks (1.39, -1.11, 18.38 ppm; 3.32 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 2.1=100 HB2 ARG 109 + QG1 VAL 82 OK 48 100 - 48 - 2.8/8807=5, 4.0/9974=5...(22) HG2 LYS 86 - QG1 VAL 82 OK 40 100 - 40 - 4.9/8871=11...(14) HG LEU 132 - QG1 VAL 82 OK 28 68 - 42 - ~8816=7, ~8816=5...(18) HB2 LEU 69 - QG1 VAL 82 OK 26 92 - 29 - 2493/2.1=3, ~8800=2...(13) HG2 LYS 36 - QG1 VAL 82 OK 23 81 - 29 - 1.8/8807=3, 4.6/9975=3...(12) HG2 ARG 49 - QG1 VAL 82 OK 23 98 - 24 - 2493/2.1=3, 2471/2.4=2...(6) HB3 LEU 39 - QG1 VAL 82 OK 17 62 - 27 - ~9987=3, ~8804=2, ~831=2...(14) HG LEU 116 - QG1 VAL 82 OK 12 77 - 15 - 10005/10020=2...(5) HB2 ARG 35 - QG1 VAL 82 OK 12 68 - 17 - 10801/4.0=4, 4.3/9975=3...(5) Peak 2488 from aliabs.peaks (-1.11, -1.11, 18.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + QG1 VAL 82 OK 100 100 - 100 Peak 2489 from aliabs.peaks (0.44, -1.11, 18.38 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 82 + QG1 VAL 82 OK 100 100 - 100 - 2.1=100 HG2 LYS 114 - QG1 VAL 82 OK 32 85 - 37 - 1.8/8809=7, 2483/2.1=7...(10) Peak 2491 from aliabs.peaks (7.63, 0.44, 24.59 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 82 + QG2 VAL 82 OK 100 100 - 100 - 3.2=100 H LEU 66 + QG2 VAL 82 OK 51 98 - 52 - 2491=11, 11443/8799=7...(18) Peak 2492 from aliabs.peaks (2.99, 0.44, 24.59 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.99: * HA VAL 82 + QG2 VAL 82 OK 99 100 - 99 - 3.2=96, 2.9/6896=28...(21) HB3 ASN 128 - QG2 VAL 82 OK 29 98 - 29 - 2492=8, 2486/2.1=5...(9) HA VAL 71 - QG2 VAL 82 OK 26 81 - 32 - 2492=8, 2486/2.1=5...(8) Peak 2493 from aliabs.peaks (1.39, 0.44, 24.59 ppm; 2.93 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 82 + QG2 VAL 82 OK 100 100 - 100 - 2.1=100 HB2 ARG 109 - QG2 VAL 82 OK 34 100 - 34 - 2493=5, 4.0/9977=4...(16) HB2 LEU 69 - QG2 VAL 82 OK 24 92 - 26 - 3.2/8800=3, 4.6/11597=3...(9) HG LEU 132 - QG2 VAL 82 OK 23 68 - 35 - 3.0/11009=7, ~8816=4...(15) HG2 ARG 49 - QG2 VAL 82 OK 20 98 - 21 - 3.9/11597=3, 3.0/11010=2...(7) HG2 LYS 36 - QG2 VAL 82 OK 18 81 - 22 - 3.0/8801=4, 2.9/8783=2...(7) HG2 LYS 86 - QG2 VAL 82 OK 17 100 - 17 - 2487/2.1=3, 6994/8876=3...(7) HB3 LEU 39 - QG2 VAL 82 OK 14 62 - 22 - 3.0/9987=5, 2493=2...(5) HB2 ARG 35 - QG2 VAL 82 poor 8 68 - 11 - 2.9/8799=3, 4.3/10000=2 HG LEU 116 - QG2 VAL 82 lone 5 77 - 7 - Peak 2494 from aliabs.peaks (-1.11, 0.44, 24.59 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 82 + QG2 VAL 82 OK 100 100 - 100 - 2.1=100 Peak 2495 from aliabs.peaks (0.44, 0.44, 24.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 82 + QG2 VAL 82 OK 100 100 - 100 Peak 2496 from aliabs.peaks (7.90, 0.44, 24.59 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 83 + QG2 VAL 82 OK 100 100 - 100 - 4.4=100 Peak 2497 from aliabs.peaks (7.90, 3.67, 64.81 ppm; 6.01 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 83 + HA ILE 83 OK 100 100 - 100 - 2.9=100 Peak 2498 from aliabs.peaks (3.67, 3.67, 64.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 83 + HA ILE 83 OK 100 100 - 100 Peak 2499 from aliabs.peaks (1.77, 3.67, 64.81 ppm; 3.86 A): 3 out of 9 assignments used, quality = 1.00: * HB ILE 83 + HA ILE 83 OK 100 100 - 100 - 3.0=100 HG LEU 95 + HA ILE 83 OK 53 77 - 69 - 4.3/9061=17, 2.1/9075=14...(25) HG LEU 39 + HA ILE 83 OK 45 100 - 45 - 2.1/2503=7, 3.0/10013=5...(17) HG LEU 66 - HA ILE 83 OK 43 85 - 51 - 2.1/2503=9, 2516/3.2=5...(17) HB2 PRO 12 - HA ILE 83 OK 41 77 - 54 - 2.3/2502=5, ~85=4...(27) HB3 MET 59 - HA ILE 83 OK 40 94 - 42 - 8300/3.2=6, ~8299=6...(16) HB3 ARG 35 - HA ILE 83 OK 15 100 - 15 - ~11043=2, 2516/3.2=1...(5) HG LEU 72 - HA ILE 83 OK 12 72 - 17 - 3.0/11547=8, 2.1/10167=2 HB3 ARG 55 - HA ILE 83 lone 3 77 - 4 - ~9995=1 Peak 2500 from aliabs.peaks (0.86, 3.67, 64.81 ppm; 3.09 A): 2 out of 4 assignments used, quality = 0.99: * QG2 ILE 83 + HA ILE 83 OK 98 100 - 98 - 3.2=90, 3.1/2539=15...(28) QD1 LEU 64 + HA ILE 83 OK 52 100 - 52 - 8376=10, 10627/3.0=9...(20) HB3 LEU 42 - HA ILE 83 OK 31 99 - 31 - 3.0/9067=5, 2509/3.0=4...(15) QD2 LEU 97 - HA ILE 83 OK 29 68 - 42 - 11006/3.8=5, 2.1/9116=5...(21) Peak 2501 from aliabs.peaks (1.32, 3.67, 64.81 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 83 + HA ILE 83 OK 100 100 - 100 - 3.8=100 HG LEU 79 - HA ILE 83 OK 36 72 - 50 - 8921/8914=9, 2.1/9075=9...(16) HG2 LYS 85 - HA ILE 83 OK 30 72 - 42 - 10044/3.6=9, 1.8/10014=8...(12) HG LEU 87 - HA ILE 83 OK 28 85 - 33 - 6912/2.9=6, 2518/3.2=5...(10) Peak 2502 from aliabs.peaks (1.93, 3.67, 64.81 ppm; 3.82 A): 2 out of 11 assignments used, quality = 1.00: * HG13 ILE 83 + HA ILE 83 OK 100 100 - 100 - 3.8=100 HG3 PRO 12 + HA ILE 83 OK 50 96 - 52 - 2.3/2499=6, 101/3.0=6...(23) HB2 LYS 86 - HA ILE 83 OK 39 94 - 42 - 4.0/10048=11...(13) HB ILE 136 - HA ILE 83 OK 37 96 - 38 - ~11041=7, ~10454=6...(11) HB3 LEU 132 - HA ILE 83 OK 29 89 - 33 - 3.0/10013=4, 2519/3.2=4...(12) HB2 ARG 140 - HA ILE 83 OK 24 100 - 24 - ~10659=4, 2519/3.2=3...(10) HB2 ARG 89 - HA ILE 83 OK 19 99 - 19 - ~8948=5, 2519/3.2=3...(7) QE MET 68 - HA ILE 83 OK 12 68 - 18 - 8451=5, 6913/2.9=2...(6) HB2 PRO 118 - HA ILE 83 lone 7 100 - 7 - HB3 PRO 52 - HA ILE 83 lone 3 92 - 3 - HG2 PRO 52 - HA ILE 83 lone 3 89 - 3 - Peak 2503 from aliabs.peaks (0.68, 3.67, 64.81 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.97: * QD1 ILE 83 + HA ILE 83 OK 95 100 - 95 - 4.2=65, 3.1/2515=24...(24) QD2 LEU 66 + HA ILE 83 OK 45 96 - 47 - 2520/3.2=8, 2512/3.0=6...(15) HB3 LEU 116 - HA ILE 83 OK 23 89 - 25 - 2520/3.2=5, 2512/3.0=4...(8) QD2 LEU 39 - HA ILE 83 OK 20 62 - 31 - 3.2/10013=4, 2.1/2499=4...(15) Peak 2505 from aliabs.peaks (3.13, 1.77, 38.66 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.97: * HA VAL 80 + HB ILE 83 OK 91 100 - 91 - 2412=24, 8742/3.2=22...(26) HA LEU 79 + HB ILE 83 OK 70 92 - 76 - 4.8/2412=14...(20) HB3 ASN 96 - HB ILE 83 OK 20 62 - 32 - 3.9/7127=9, ~9084=6...(9) HB3 PHE 106 - HB ILE 83 OK 19 89 - 21 - 2505=3, 10027/2.1=3...(9) HD3 ARG 145 - HB ILE 83 OK 17 62 - 27 - 10027/2.1=3, ~10035=3...(11) Peak 2507 from aliabs.peaks (3.67, 1.77, 38.66 ppm; 6.11 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.0=100 HA THR 92 + HB ILE 83 OK 76 85 - 89 - 2523/3.0=17, 2531/3.0=17...(27) Peak 2508 from aliabs.peaks (1.77, 1.77, 38.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 83 + HB ILE 83 OK 100 100 - 100 Peak 2509 from aliabs.peaks (0.86, 1.77, 38.66 ppm; 3.94 A): 4 out of 4 assignments used, quality = 1.00: * QG2 ILE 83 + HB ILE 83 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 + HB ILE 83 OK 81 100 - 81 - 8376/3.0=28, 10627=19...(22) HB3 LEU 42 + HB ILE 83 OK 61 99 - 62 - 3.2/10016=12, 2509=6...(24) QD2 LEU 97 + HB ILE 83 OK 46 68 - 68 - 11006/3.0=10, 2509=9...(21) Peak 2510 from aliabs.peaks (1.32, 1.77, 38.66 ppm; 4.98 A): 4 out of 4 assignments used, quality = 1.00: * HG12 ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.0=100 HG LEU 79 + HB ILE 83 OK 58 72 - 81 - 2.1/9996=16, ~9075=11...(25) HG LEU 87 + HB ILE 83 OK 53 85 - 62 - 2510=9, 2534/3.0=8...(20) HG2 LYS 85 + HB ILE 83 OK 48 72 - 66 - 10044/4.7=13...(17) Peak 2511 from aliabs.peaks (1.93, 1.77, 38.66 ppm; 3.96 A): 5 out of 11 assignments used, quality = 1.00: * HG13 ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.0=100 HG3 PRO 12 + HB ILE 83 OK 72 96 - 75 - 2.3/85=8, 2.3/53=8...(39) HB ILE 136 + HB ILE 83 OK 60 96 - 62 - ~11041=12, ~10658=9...(25) HB3 LEU 132 + HB ILE 83 OK 60 89 - 67 - ~10018=11, ~9999=10...(32) HB2 LYS 86 + HB ILE 83 OK 48 94 - 51 - 2519/2.1=4, ~11043=4...(28) HB2 ARG 140 - HB ILE 83 OK 38 100 - 38 - ~10659=6, 2519/2.1=4...(14) HB2 ARG 89 - HB ILE 83 OK 29 99 - 30 - ~8948=8, 2519/2.1=4...(11) HB2 PRO 118 - HB ILE 83 OK 15 100 - 14 - ~10031=2, 2519/2.1=1, 2543/3.2=1 QE MET 68 - HB ILE 83 OK 13 68 - 19 - 8451/3.0=7, 2511=2...(7) HB3 PRO 52 - HB ILE 83 lone 5 92 - 6 - HG2 PRO 52 - HB ILE 83 lone 5 89 - 5 - Peak 2512 from aliabs.peaks (0.68, 1.77, 38.66 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 83 + HB ILE 83 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + HB ILE 83 OK 77 96 - 80 - 2520/2.1=11, 2.1/9997=10...(32) HB3 LEU 116 + HB ILE 83 OK 55 89 - 62 - ~10021=7, 2528/3.0=7...(22) QD2 LEU 39 - HB ILE 83 OK 41 62 - 65 - 2.1/857=6, 3.9/2505=6...(29) Peak 2514 from aliabs.peaks (7.90, 0.86, 16.44 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 83 + QG2 ILE 83 OK 100 100 - 100 - 3.9=100 Peak 2515 from aliabs.peaks (3.67, 0.86, 16.44 ppm; 2.91 A): 2 out of 2 assignments used, quality = 0.95: * HA ILE 83 + QG2 ILE 83 OK 93 100 - 93 - 3.2=75, 2539/3.1=13...(27) HA THR 92 + QG2 ILE 83 OK 37 85 - 43 - 3.2/9027=7, 9017=6...(12) Peak 2516 from aliabs.peaks (1.77, 0.86, 16.44 ppm; 2.96 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 83 + QG2 ILE 83 OK 100 100 - 100 - 2.1=100 HG LEU 66 - QG2 ILE 83 OK 41 85 - 48 - 2.1/2520=8, 2540/3.1=3...(26) HG LEU 39 - QG2 ILE 83 OK 40 100 - 40 - 2.1/2520=6, 3.0/10660=5...(20) HG LEU 95 - QG2 ILE 83 OK 38 77 - 50 - 2.1/941=6, ~9075=5...(27) HB2 PRO 12 - QG2 ILE 83 OK 37 77 - 48 - 2.3/2519=4, ~85=3, ~85=3...(25) HB3 MET 59 - QG2 ILE 83 OK 32 94 - 35 - 1.8/8299=5, 3.0/8301=5...(13) HB3 ARG 35 - QG2 ILE 83 OK 13 100 - 13 - 1.8/11043=2 HG LEU 72 - QG2 ILE 83 poor 8 72 - 12 - ~11547=3 HB3 ARG 55 - QG2 ILE 83 lone 2 77 - 2 - Peak 2517 from aliabs.peaks (0.86, 0.86, 16.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 83 + QG2 ILE 83 OK 100 100 - 100 Peak 2518 from aliabs.peaks (1.32, 0.86, 16.44 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 83 + QG2 ILE 83 OK 100 100 - 100 - 3.2=98, 2.1/2520=20...(28) HG LEU 79 - QG2 ILE 83 OK 35 72 - 49 - 3.7/10027=5, 2542/3.1=5...(26) HG LEU 87 - QG2 ILE 83 OK 28 85 - 33 - 2542/3.1=4, 2510/2.1=3...(14) HG2 LYS 85 - QG2 ILE 83 OK 27 72 - 37 - 1.8/10017=7, 10044/4.3=5...(15) Peak 2519 from aliabs.peaks (1.93, 0.86, 16.44 ppm; 3.24 A): 3 out of 11 assignments used, quality = 1.00: * HG13 ILE 83 + QG2 ILE 83 OK 100 100 - 100 - 3.2=100 HG3 PRO 12 + QG2 ILE 83 OK 56 96 - 58 - 2.3/2516=6, 101/2.1=6...(30) HB ILE 136 + QG2 ILE 83 OK 47 96 - 48 - 3.0/11041=15...(15) HB3 LEU 132 - QG2 ILE 83 OK 44 89 - 49 - 3.0/10660=7, ~10018=7...(21) HB2 LYS 86 - QG2 ILE 83 OK 34 94 - 36 - 2.9/11043=5, 4.0/8869=3...(18) HB2 ARG 140 - QG2 ILE 83 OK 31 100 - 31 - 2.9/10659=8, 4712/9705=2...(9) HB2 ARG 89 - QG2 ILE 83 OK 30 99 - 31 - 3.5/8950=10, 3.0/8948=6...(6) HB2 PRO 118 - QG2 ILE 83 OK 11 100 - 10 - QE MET 68 - QG2 ILE 83 poor 9 68 - 13 - 8451/3.2=4 HB3 PRO 52 - QG2 ILE 83 lone 5 92 - 5 - HG2 PRO 52 - QG2 ILE 83 lone 5 89 - 5 - Peak 2520 from aliabs.peaks (0.68, 0.86, 16.44 ppm; 2.65 A): 4 out of 4 assignments used, quality = 0.93: * QD1 ILE 83 + QG2 ILE 83 OK 83 100 - 83 - 3.1=60, 2.1/2518=12...(22) QD2 LEU 66 + QG2 ILE 83 OK 36 96 - 38 - 2503/3.2=3, 2.1/2516=3...(18) HB3 LEU 116 + QG2 ILE 83 OK 22 89 - 24 - 3.0/11043=3, 2512/2.1=2...(10) QD2 LEU 39 + QG2 ILE 83 OK 16 62 - 26 - 3.2/10660=4, 2.1/2516=3...(10) Peak 2523 from aliabs.peaks (3.67, 1.32, 27.86 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 3.8=100 HA THR 92 + HG12 ILE 83 OK 61 85 - 72 - 2523=15, 2531/1.8=15...(16) Peak 2524 from aliabs.peaks (1.77, 1.32, 27.86 ppm; 5.21 A): 6 out of 9 assignments used, quality = 1.00: * HB ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 3.0=100 HG LEU 39 + HG12 ILE 83 OK 77 100 - 77 - 851/2.1=10, 2.1/2528=9...(27) HG LEU 66 + HG12 ILE 83 OK 75 85 - 88 - ~10004=15, 2.1/2528=13...(28) HB3 MET 59 + HG12 ILE 83 OK 75 94 - 80 - 4.2/10566=14...(26) HB2 PRO 12 + HG12 ILE 83 OK 68 77 - 89 - ~85=8, ~88=7, ~69=7...(46) HG LEU 95 + HG12 ILE 83 OK 61 77 - 79 - 2.1/11153=13, ~10761=10...(23) HB3 ARG 35 - HG12 ILE 83 OK 30 100 - 30 - ~10005=4, ~11043=3...(14) HG LEU 72 - HG12 ILE 83 OK 20 72 - 27 - 2.1/11153=3, ~10785=3...(14) HB3 ARG 55 - HG12 ILE 83 lone 5 77 - 6 - Peak 2525 from aliabs.peaks (0.86, 1.32, 27.86 ppm; 4.04 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HG12 ILE 83 OK 79 100 - 80 - 8376/3.8=25...(24) HB3 LEU 42 + HG12 ILE 83 OK 54 99 - 54 - 2541/2.1=7, 2533/1.8=7...(22) QD2 LEU 97 - HG12 ILE 83 OK 41 68 - 61 - 11006=14, 2541/2.1=7...(20) Peak 2526 from aliabs.peaks (1.32, 1.32, 27.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 83 + HG12 ILE 83 OK 100 100 - 100 Peak 2527 from aliabs.peaks (1.93, 1.32, 27.86 ppm; 5.10 A): 6 out of 11 assignments used, quality = 1.00: * HG13 ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 1.8=100 HG3 PRO 12 + HG12 ILE 83 OK 86 96 - 89 - 2.3/2524=9, 101/3.0=8...(43) HB ILE 136 + HG12 ILE 83 OK 80 96 - 84 - 3.0/9692=20, ~11041=15...(28) HB3 LEU 132 + HG12 ILE 83 OK 79 89 - 89 - ~10018=28, ~9999=24...(31) HB2 LYS 86 + HG12 ILE 83 OK 65 94 - 69 - ~10005=7, ~10761=6...(25) HB2 ARG 140 + HG12 ILE 83 OK 54 100 - 54 - ~10659=8, 2.9/11137=5...(26) HB2 ARG 89 - HG12 ILE 83 OK 43 99 - 44 - ~8948=10, 2519/3.2=4...(21) HB2 PRO 118 - HG12 ILE 83 OK 24 100 - 23 - ~10031=4, 2543/2.1=2...(9) QE MET 68 - HG12 ILE 83 OK 20 68 - 29 - 8451/3.8=12, 2543/2.1=2...(8) HB3 PRO 52 - HG12 ILE 83 lone 9 92 - 9 - 1358/9144=1 HG2 PRO 52 - HG12 ILE 83 lone 8 89 - 9 - 1366/9144=1 Peak 2528 from aliabs.peaks (0.68, 1.32, 27.86 ppm; 4.18 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 83 + HG12 ILE 83 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + HG12 ILE 83 OK 76 96 - 78 - ~10004=11, 2536/1.8=11...(28) HB3 LEU 116 + HG12 ILE 83 OK 57 89 - 64 - ~10021=9, 2536/1.8=8...(20) QD2 LEU 39 - HG12 ILE 83 OK 36 62 - 58 - 2536/1.8=5, ~851=5...(24) Peak 2531 from aliabs.peaks (3.67, 1.93, 27.86 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 3.8=100 HA THR 92 + HG13 ILE 83 OK 60 85 - 71 - 2523/1.8=15, 2539/2.1=14...(15) Peak 2532 from aliabs.peaks (1.77, 1.93, 27.86 ppm; 3.88 A): 6 out of 9 assignments used, quality = 1.00: * HB ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 3.0=100 HG LEU 66 + HG13 ILE 83 OK 61 85 - 71 - ~10004=9, 2.1/2536=9...(27) HG LEU 39 + HG13 ILE 83 OK 58 100 - 58 - 851/2.1=7, 2.1/2536=6...(24) HB3 MET 59 + HG13 ILE 83 OK 56 94 - 59 - 1611=8, ~10413=6...(24) HB2 PRO 12 + HG13 ILE 83 OK 51 77 - 66 - 1.8/88=7, 2.3/96=6...(32) HG LEU 95 + HG13 ILE 83 OK 47 77 - 61 - 3.0/10761=8, 2.1/9072=6...(24) HB3 ARG 35 - HG13 ILE 83 OK 19 100 - 19 - ~10005=3, 2540/2.1=2...(7) HG LEU 72 - HG13 ILE 83 OK 10 72 - 14 - 2.1/10785=2, ~11153=2...(4) HB3 ARG 55 - HG13 ILE 83 lone 3 77 - 4 - Peak 2533 from aliabs.peaks (0.86, 1.93, 27.86 ppm; 4.25 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 3.2=100 QD1 LEU 64 + HG13 ILE 83 OK 82 100 - 82 - 8376/3.8=27...(23) HB3 LEU 42 + HG13 ILE 83 OK 58 99 - 59 - 2525/1.8=8, 2541/2.1=7...(23) QD2 LEU 97 - HG13 ILE 83 OK 44 68 - 65 - 11006/1.8=14...(18) Peak 2534 from aliabs.peaks (1.32, 1.93, 27.86 ppm; 4.38 A): 3 out of 4 assignments used, quality = 1.00: * HG12 ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 1.8=100 HG LEU 79 + HG13 ILE 83 OK 51 72 - 71 - 2542/2.1=9, 2518/3.2=7...(23) HG LEU 87 + HG13 ILE 83 OK 47 85 - 55 - 2542/2.1=7, 2534=7...(19) HG2 LYS 85 - HG13 ILE 83 OK 36 72 - 50 - ~2619=6, 2542/2.1=6...(16) Peak 2535 from aliabs.peaks (1.93, 1.93, 27.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 83 + HG13 ILE 83 OK 100 100 - 100 Peak 2536 from aliabs.peaks (0.68, 1.93, 27.86 ppm; 4.21 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 83 + HG13 ILE 83 OK 100 100 - 100 - 2.1=100 QD2 LEU 66 + HG13 ILE 83 OK 77 96 - 80 - 2528/1.8=11, ~10004=11...(27) HB3 LEU 116 + HG13 ILE 83 OK 57 89 - 64 - ~10021=9, 2528/1.8=8...(19) QD2 LEU 39 - HG13 ILE 83 OK 37 62 - 59 - 2.1/2532=6, ~851=5...(24) Peak 2538 from aliabs.peaks (7.90, 0.68, 15.18 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 4.5=100 Peak 2539 from aliabs.peaks (3.67, 0.68, 15.18 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.94: * HA ILE 83 + QD1 ILE 83 OK 91 100 - 91 - 4.2=55, 2515/3.1=22...(21) HA THR 92 + QD1 ILE 83 OK 36 85 - 42 - 2515/3.1=8, 2531/2.1=7...(11) Peak 2540 from aliabs.peaks (1.77, 0.68, 15.18 ppm; 3.23 A): 3 out of 9 assignments used, quality = 1.00: * HB ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 3.2=100 HG LEU 66 + QD1 ILE 83 OK 51 85 - 60 - 2.1/10004=13, 1904=5...(26) HG LEU 39 + QD1 ILE 83 OK 48 100 - 48 - 851=6, 2.1/859=5...(25) HB2 PRO 12 - QD1 ILE 83 OK 41 77 - 54 - 2.3/2543=4, 80/2.1=4...(34) HG LEU 95 - QD1 ILE 83 OK 35 77 - 46 - 3.0/10023=5, 4.3/10038=4...(26) HB3 MET 59 - QD1 ILE 83 OK 35 94 - 37 - 1611/2.1=5, 8300/3.1=4...(18) HB3 ARG 35 - QD1 ILE 83 OK 16 100 - 16 - 1.8/10005=3, 2532/2.1=1...(4) HG LEU 72 - QD1 ILE 83 lone 7 72 - 9 - HB3 ARG 55 - QD1 ILE 83 lone 3 77 - 3 - Peak 2541 from aliabs.peaks (0.86, 0.68, 15.18 ppm; 2.69 A): 4 out of 4 assignments used, quality = 0.94: * QG2 ILE 83 + QD1 ILE 83 OK 85 100 - 85 - 3.1=62, 2518/2.1=12...(22) QD1 LEU 64 + QD1 ILE 83 OK 39 100 - 39 - 8376/4.2=9, 10627/3.2=6...(13) HB3 LEU 42 + QD1 ILE 83 OK 25 99 - 25 - 1.8/11065=5, 2525/2.1=3...(8) QD2 LEU 97 + QD1 ILE 83 OK 18 68 - 26 - 11006/2.1=7, 2509/3.2=3...(12) Peak 2542 from aliabs.peaks (1.32, 0.68, 15.18 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 2.1=100 HG LEU 79 - QD1 ILE 83 OK 36 72 - 50 - 3.0/10022=7, 3.7/10008=5...(23) HG LEU 87 - QD1 ILE 83 OK 28 85 - 33 - 3.0/10003=4, 2534/2.1=4...(14) HG2 LYS 85 - QD1 ILE 83 OK 23 72 - 31 - 1.8/10002=5, 2518/3.1=3...(14) Peak 2543 from aliabs.peaks (1.93, 0.68, 15.18 ppm; 3.35 A): 4 out of 11 assignments used, quality = 1.00: * HG13 ILE 83 + QD1 ILE 83 OK 100 100 - 100 - 2.1=100 HG3 PRO 12 + QD1 ILE 83 OK 57 96 - 60 - 2.3/2540=6, 101/3.2=4...(38) HB3 LEU 132 + QD1 ILE 83 OK 55 89 - 62 - 3.2/10018=21...(26) HB ILE 136 + QD1 ILE 83 OK 53 96 - 55 - 2.9/10021=11, ~9692=6...(26) HB2 LYS 86 - QD1 ILE 83 OK 35 94 - 37 - 2.9/10005=5, 2519/3.1=2...(20) HB2 ARG 140 - QD1 ILE 83 OK 28 100 - 28 - ~10659=3, 2.9/10023=3...(9) HB2 ARG 89 - QD1 ILE 83 OK 22 99 - 22 - ~8948=4, 2.8/10023=3...(8) HB2 PRO 118 - QD1 ILE 83 OK 13 100 - 13 - 3.0/10031=2 QE MET 68 - QD1 ILE 83 OK 10 68 - 15 - 8451/4.2=4 HB3 PRO 52 - QD1 ILE 83 lone 4 92 - 4 - HG2 PRO 52 - QD1 ILE 83 lone 4 89 - 4 - Peak 2544 from aliabs.peaks (0.68, 0.68, 15.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 83 + QD1 ILE 83 OK 100 100 - 100 Peak 2547 from aliabs.peaks (4.43, 4.43, 55.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 84 + HA ASN 84 OK 100 100 - 100 Peak 2548 from aliabs.peaks (2.72, 4.43, 55.60 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASN 84 + HA ASN 84 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 - HA ASN 84 OK 14 100 - 14 - 2564/3.0=3, ~4017=1...(5) HB3 MET 46 - HA ASN 84 OK 13 100 - 13 - 2564/3.0=2, 6930/2.9=2...(4) HB3 TYR 70 - HA ASN 84 lone 9 99 - 9 - 2564/3.0=2, 6954/3.6=1 HB3 CYS 121 - HA ASN 84 lone 5 62 - 8 - 6930/2.9=1, 2564/3.0=1, ~4050=1 HB3 ASP 13 - HA ASN 84 lone 2 100 - 2 - Peak 2549 from aliabs.peaks (2.79, 4.43, 55.60 ppm; 3.47 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 84 + HA ASN 84 OK 100 100 - 100 - 3.0=100 HB3 TYR 119 - HA ASN 84 OK 31 81 - 38 - 2557/3.0=6, 2563=5...(14) HB3 ASN 139 - HA ASN 84 OK 17 81 - 21 - 3.0/10357=8, 3.5/8838=6...(4) HB3 ASP 41 - HA ASN 84 OK 14 96 - 15 - 3.8/6294=3, 906/3.0=2...(8) HG3 GLN 111 - HA ASN 84 OK 12 92 - 13 - 2557/3.0=2, ~3641=2...(5) HB2 ASN 128 - HA ASN 84 lone 3 81 - 3 - ~6921=1 Peak 2553 from aliabs.peaks (4.03, 2.72, 37.77 ppm; 4.18 A): 5 out of 5 assignments used, quality = 0.86: * HA GLU 81 + HB2 ASN 84 OK 53 100 - 53 - 2440/1.8=19, 2439=19...(6) HA VAL 63 + HB2 ASN 84 OK 39 94 - 42 - 2561/1.8=10, 8844/3.5=8...(10) HA GLU 37 + HB2 ASN 84 OK 28 100 - 28 - 2440/1.8=8, 2439=8...(5) HB THR 107 + HB2 ASN 84 OK 18 100 - 18 - 2561/1.8=4, ~9254=4...(6) HA LYS 123 + HB2 ASN 84 OK 18 100 - 18 - 2561/1.8=4, 6919/4.0=3...(6) Peak 2555 from aliabs.peaks (4.43, 2.72, 37.77 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 84 + HB2 ASN 84 OK 100 100 - 100 - 3.0=100 HA ILE 58 - HB2 ASN 84 OK 38 100 - 38 - 2563/1.8=8, 6929/4.0=5...(14) HA ASP 40 - HB2 ASN 84 OK 27 89 - 31 - 2563/1.8=6, 2.9/2560=5...(13) HB THR 18 - HB2 ASN 84 lone 2 100 - 2 - Peak 2556 from aliabs.peaks (2.72, 2.72, 37.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 84 + HB2 ASN 84 OK 100 100 - 100 Peak 2557 from aliabs.peaks (2.79, 2.72, 37.77 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 84 + HB2 ASN 84 OK 100 100 - 100 - 1.8=100 HB3 TYR 119 - HB2 ASN 84 OK 33 81 - 40 - 2564=7, ~3999=5...(15) HG3 GLN 111 - HB2 ASN 84 OK 11 92 - 12 - ~3641=2, 2549/3.0=2...(4) HB3 ASP 41 - HB2 ASN 84 poor 10 96 - 10 - 906/1.8=2, 2549/3.0=2...(6) HB3 ASN 139 - HB2 ASN 84 lone 7 81 - 9 - ~10357=3, 2549/3.0=2 HB2 ASN 128 - HB2 ASN 84 lone 1 81 - 1 - Peak 2561 from aliabs.peaks (4.03, 2.79, 37.77 ppm; 4.17 A): 5 out of 5 assignments used, quality = 0.85: * HA GLU 81 + HB3 ASN 84 OK 51 100 - 51 - 2440=21, 2439/1.8=16...(5) HA VAL 63 + HB3 ASN 84 OK 38 94 - 41 - 2553/1.8=10, 8844/3.5=8...(10) HA GLU 37 + HB3 ASN 84 OK 29 100 - 29 - 2440=9, 2553/1.8=7...(6) HA LYS 123 + HB3 ASN 84 OK 18 100 - 18 - 2553/1.8=4, 6919/4.0=3...(6) HB THR 107 + HB3 ASN 84 OK 17 100 - 17 - 2.1/9254=6, 2553/1.8=4...(5) Peak 2563 from aliabs.peaks (4.43, 2.79, 37.77 ppm; 3.69 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 3.0=100 HA ILE 58 - HB3 ASN 84 OK 38 100 - 38 - 2555/1.8=8, 6929/4.0=5...(13) HA ASP 40 - HB3 ASN 84 OK 30 89 - 34 - 2555/1.8=6, 2.9/2568=4...(15) HB THR 18 - HB3 ASN 84 lone 2 100 - 1 - Peak 2564 from aliabs.peaks (2.72, 2.79, 37.77 ppm; 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASN 84 + HB3 ASN 84 OK 100 100 - 100 - 1.8=100 HB3 GLU 120 - HB3 ASN 84 OK 17 100 - 17 - 3.6/7480=4, 2548/3.0=2...(6) HB3 MET 46 - HB3 ASN 84 OK 13 100 - 13 - 2548/3.0=2, 6938/3.5=1...(5) HB3 TYR 70 - HB3 ASN 84 lone 8 99 - 8 - 2548/3.0=2 HB3 CYS 121 - HB3 ASN 84 lone 6 62 - 9 - ~4050=1, 2548/3.0=1...(4) HB3 ASP 13 - HB3 ASN 84 lone 2 100 - 2 - Peak 2565 from aliabs.peaks (2.79, 2.79, 37.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 84 + HB3 ASN 84 OK 100 100 - 100 Peak 2570 from aliabs.peaks (4.23, 4.23, 55.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 85 + HA LYS 85 OK 100 100 - 100 Peak 2571 from aliabs.peaks (1.72, 4.23, 55.53 ppm; 3.59 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 85 + HA LYS 85 OK 100 100 - 100 - 2.9=100 HD2 LYS 93 + HA LYS 85 OK 51 77 - 66 - 1.8/3079=6, 3.0/2574=6...(37) HB3 ARG 109 - HA LYS 85 OK 37 100 - 38 - 2.8/2576=4, 2.8/2575=4...(20) HB3 GLU 81 - HA LYS 85 OK 27 92 - 29 - ~9967=4, ~6948=4...(12) HB ILE 58 - HA LYS 85 OK 23 72 - 31 - 2595/2.9=4, 6959/3.0=4...(15) HB3 ARG 144 - HA LYS 85 OK 12 81 - 14 - 1.8/2572=2, 2595/2.9=1 HD2 LYS 36 - HA LYS 85 poor 9 72 - 12 - 2.9/2576=1, 3.6/2572=1 HG3 ARG 89 - HA LYS 85 lone 3 96 - 3 - Peak 2572 from aliabs.peaks (1.86, 4.23, 55.53 ppm; 3.68 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LYS 85 + HA LYS 85 OK 100 100 - 100 - 2.9=100 HB3 LYS 76 + HA LYS 85 OK 55 94 - 59 - 2594=7, 3.0/2574=6...(29) HB2 LYS 48 + HA LYS 85 OK 51 100 - 52 - 1148=6, 1.8/1160=5...(23) HB3 LYS 48 - HA LYS 85 OK 44 89 - 49 - 1.8/1148=6, 1148=5...(23) HB3 LEU 126 - HA LYS 85 OK 30 98 - 30 - 2584/2.9=3, 2607/4.0=2...(15) HG LEU 69 - HA LYS 85 OK 21 96 - 22 - ~9876=3, 6972/3.6=3...(13) HB2 LYS 36 - HA LYS 85 OK 17 89 - 19 - 2584/2.9=2, 1148=2...(5) HB2 ARG 144 - HA LYS 85 OK 16 96 - 16 - 1.8/2571=2, 2584/2.9=2...(4) HB3 GLU 28 - HA LYS 85 OK 14 92 - 15 - 2584/2.9=2, ~314=1...(6) Peak 2573 from aliabs.peaks (1.33, 4.23, 55.53 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.94: * HG2 LYS 85 + HA LYS 85 OK 94 100 - 94 - 4.0=57, 6961/3.0=25...(39) QB ALA 60 - HA LYS 85 lone 9 99 - 9 - 2585/2.9=3, 2597/2.9=2 HG12 ILE 83 - HA LYS 85 poor 9 72 - 13 - 2585/2.9=4, 2619/4.0=3 Peak 2574 from aliabs.peaks (1.53, 4.23, 55.53 ppm; 3.26 A): 2 out of 9 assignments used, quality = 0.97: * HG3 LYS 85 + HA LYS 85 OK 94 100 - 94 - 4.0=54, 1.8/2573=32...(38) HG3 LYS 76 + HA LYS 85 OK 49 99 - 50 - 3046=6, 2598/2.9=5...(24) HG2 LYS 93 - HA LYS 85 OK 43 81 - 53 - 1.8/3057=6, 2.9/3023=6...(20) HD2 LYS 76 - HA LYS 85 OK 25 62 - 40 - 3.5/2572=4, 2598/2.9=3...(20) HB2 LEU 29 - HA LYS 85 OK 13 98 - 13 - 6974/3.6=2, 2586/2.9=2...(6) HG3 PRO 57 - HA LYS 85 OK 12 85 - 13 - 2.3/8861=3, ~10587=2...(7) QB ALA 135 - HA LYS 85 lone 8 89 - 9 - 6962/3.0=3, 6974/3.6=2 HB2 LYS 123 - HA LYS 85 lone 6 62 - 9 - 9465/8860=1, 6962/3.0=1 HB2 GLU 122 - HA LYS 85 lone 4 100 - 4 - Peak 2575 from aliabs.peaks (1.57, 4.23, 55.53 ppm; 3.32 A): 2 out of 10 assignments used, quality = 0.98: * HD2 LYS 85 + HA LYS 85 OK 89 100 - 89 - 5.2=26, 3.0/2573=24...(39) HD3 LYS 85 + HA LYS 85 OK 82 92 - 89 - 5.2=26, 3.0/2573=24...(38) HG2 ARG 109 - HA LYS 85 OK 37 99 - 38 - 2587/2.9=4, 2599/2.9=4...(20) HG3 ARG 109 - HA LYS 85 OK 28 77 - 36 - 3561/2.9=4, 2600/2.9=4...(19) HG3 ARG 145 - HA LYS 85 OK 17 100 - 17 - 2587/2.9=2, 2599/2.9=2...(8) HG2 ARG 145 - HA LYS 85 OK 17 100 - 16 - 2587/2.9=2, 2599/2.9=2...(8) HB2 LEU 126 - HA LYS 85 OK 16 100 - 16 - 1.8/2572=3, 4277/2.9=2...(7) HG2 ARG 55 - HA LYS 85 lone 2 94 - 2 - HG3 ARG 55 - HA LYS 85 lone 2 89 - 2 - HB2 LEU 66 - HA LYS 85 lone 2 62 - 3 - Peak 2576 from aliabs.peaks (1.57, 4.23, 55.53 ppm; 3.32 A): 2 out of 11 assignments used, quality = 0.98: * HD3 LYS 85 + HA LYS 85 OK 89 100 - 89 - 5.2=26, 3.0/2573=24...(38) HD2 LYS 85 + HA LYS 85 OK 82 92 - 89 - 5.2=26, 3.0/2573=24...(39) HG3 ARG 109 - HA LYS 85 OK 38 99 - 39 - 3561/2.9=6, 2600/2.9=4...(20) HG2 ARG 109 - HA LYS 85 OK 28 77 - 36 - 2587/2.9=4, 2599/2.9=4...(20) HG2 ARG 145 - HA LYS 85 OK 15 92 - 16 - 2588/2.9=2, 2600/2.9=2...(8) HG3 ARG 145 - HA LYS 85 OK 15 92 - 16 - 2587/2.9=2, 2599/2.9=2...(7) HB2 LEU 126 - HA LYS 85 OK 15 96 - 15 - 1.8/2572=3, 4277/2.9=2...(7) HG3 LYS 36 - HA LYS 85 OK 12 89 - 13 - 3.0/2572=1, 2588/2.9=1 HB2 LEU 66 - HA LYS 85 lone 3 94 - 3 - HG3 ARG 124 - HA LYS 85 lone 2 89 - 2 - HG2 ARG 55 - HA LYS 85 lone 1 62 - 2 - Peak 2577 from aliabs.peaks (2.95, 4.23, 55.53 ppm; 5.11 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 85 + HA LYS 85 OK 99 100 - 99 - 5.8=68, 3.5/2573=40...(55) HE3 LYS 85 + HA LYS 85 OK 97 98 - 99 - 5.8=68, 3.5/2573=40...(55) HE2 LYS 93 + HA LYS 85 OK 77 100 - 77 - 3.0/2571=9, 3.8/2574=8...(38) HE2 LYS 48 + HA LYS 85 OK 71 100 - 71 - 3.6/8186=7, 2601/2.9=6...(42) HE3 LYS 93 + HA LYS 85 OK 70 89 - 79 - 3.0/2571=9, 3.8/2574=8...(45) HE3 LYS 48 + HA LYS 85 OK 70 100 - 70 - 3.6/8186=7, 3.6/10469=6...(42) HB2 TYR 119 - HA LYS 85 poor 10 77 - 13 - ~6955=6, ~2568=5 HB2 PHE 106 - HA LYS 85 lone 8 100 - 8 - ~3429=3 HB2 TYR 115 - HA LYS 85 lone 5 100 - 5 - 6977/3.6=1 HB3 PHE 67 - HA LYS 85 lone 5 100 - 5 - HB3 ASN 130 - HA LYS 85 lone 1 72 - 2 - Peak 2578 from aliabs.peaks (2.94, 4.23, 55.53 ppm; 4.72 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 85 + HA LYS 85 OK 99 100 - 99 - 5.8=54, 3.5/2573=37...(55) HE2 LYS 85 + HA LYS 85 OK 96 98 - 99 - 5.8=54, 3.5/2573=37...(55) HE3 LYS 93 + HA LYS 85 OK 74 99 - 75 - 3.0/2571=8, 3.8/2574=7...(42) HE2 LYS 93 + HA LYS 85 OK 70 96 - 73 - 3.0/2571=8, 3.8/2574=7...(34) HE3 LYS 48 + HA LYS 85 OK 65 100 - 65 - 3.6/8186=6, 2602/2.9=5...(36) HE2 LYS 48 + HA LYS 85 OK 62 94 - 66 - 3.6/8186=6, 2601/2.9=5...(36) HB2 TYR 119 - HA LYS 85 OK 10 94 - 11 - ~6955=5, ~2568=4 HB2 PHE 106 - HA LYS 85 lone 6 92 - 6 - ~3429=2 HB2 TYR 115 - HA LYS 85 lone 4 94 - 4 - 6977/3.6=1 HB3 PHE 67 - HA LYS 85 lone 3 92 - 4 - HB3 ASN 130 - HA LYS 85 lone 2 92 - 2 - Peak 2580 from aliabs.peaks (2.99, 1.72, 31.43 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.82: * HA VAL 82 + HB2 LYS 85 OK 72 100 - 72 - 2580=24, 2592/1.8=24...(14) HA VAL 71 + HB2 LYS 85 OK 26 81 - 32 - 2580=9, 3.6/2581=9...(5) HB3 ASN 128 + HB2 LYS 85 OK 12 98 - 12 - 2580=4, 2592/1.8=3, 6949/3.9=3 Peak 2582 from aliabs.peaks (4.23, 1.72, 31.43 ppm; 4.50 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 2.9=100 HA LYS 93 + HB2 LYS 85 OK 73 92 - 80 - 2605/3.0=12, 2582=12...(31) HB THR 102 + HB2 LYS 85 OK 47 100 - 47 - 2582=6, 2594/1.8=5...(18) HA PHE 45 - HB2 LYS 85 OK 14 72 - 20 - 2582=3, 2594/1.8=3...(9) HA ARG 141 - HB2 LYS 85 OK 12 94 - 13 - 2616/3.0=1, 2594/1.8=1...(4) Peak 2583 from aliabs.peaks (1.72, 1.72, 31.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 Peak 2584 from aliabs.peaks (1.86, 1.72, 31.43 ppm; 3.65 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 1.8=100 HB3 LYS 76 + HB2 LYS 85 OK 69 94 - 73 - 2584=10, 2607/3.0=6...(44) HB2 LYS 48 + HB2 LYS 85 OK 60 100 - 60 - 2584=8, 2607/3.0=5...(38) HB3 LYS 48 + HB2 LYS 85 OK 52 89 - 59 - 1.8/2584=6, 2584=6...(35) HB3 LEU 126 - HB2 LYS 85 OK 41 98 - 43 - 2607/3.0=3, 2618/3.0=3...(25) HG LEU 69 - HB2 LYS 85 OK 26 96 - 27 - 2584=3, ~2040=2...(13) HB2 ARG 144 - HB2 LYS 85 OK 23 96 - 23 - 2584=3, ~4894=2, ~4894=1...(8) HB2 LYS 36 - HB2 LYS 85 OK 21 89 - 23 - 2584=3, 2618/3.0=2...(7) HB3 GLU 28 - HB2 LYS 85 OK 19 92 - 21 - 2584=3, ~314=2, ~314=2...(12) Peak 2585 from aliabs.peaks (1.33, 1.72, 31.43 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.0=100 HG12 ILE 83 - HB2 LYS 85 OK 29 72 - 40 - 2619/3.0=6, 2597/1.8=5...(14) QB ALA 60 - HB2 LYS 85 OK 20 99 - 20 - 2619/3.0=4, 2597/1.8=4...(7) Peak 2586 from aliabs.peaks (1.53, 1.72, 31.43 ppm; 3.64 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.0=100 HG3 LYS 76 + HB2 LYS 85 OK 75 99 - 76 - 2586=8, 2598/1.8=7...(51) HG2 LYS 93 + HB2 LYS 85 OK 62 81 - 76 - 2586=8, 2598/1.8=8...(44) HD2 LYS 76 - HB2 LYS 85 OK 42 62 - 67 - 2586=6, 2598/1.8=5...(41) HB2 LEU 29 - HB2 LYS 85 OK 32 98 - 33 - ~10042=6, 2586=4...(14) HG3 PRO 57 - HB2 LYS 85 OK 18 85 - 21 - 2586=2, ~8861=2...(11) HB2 GLU 122 - HB2 LYS 85 OK 15 100 - 15 - 4.0/9460=5, 2586=1 QB ALA 135 - HB2 LYS 85 OK 13 89 - 14 - 6962/3.9=3, 2586=2...(5) HB2 LYS 123 - HB2 LYS 85 OK 11 62 - 18 - 2586=2, 9465/10038=2...(7) Peak 2587 from aliabs.peaks (1.57, 1.72, 31.43 ppm; 3.49 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.6=93, 2630/3.0=17...(73) HD3 LYS 85 + HB2 LYS 85 OK 92 92 - 100 - 3.6=93, 2641/3.0=15...(72) HG2 ARG 109 + HB2 LYS 85 OK 62 99 - 63 - 1.8/3561=9, 2587=8...(33) HG3 ARG 109 + HB2 LYS 85 OK 48 77 - 62 - 2588=7, 1.8/2587=6...(34) HG3 ARG 145 - HB2 LYS 85 OK 32 100 - 31 - 2587=4, 1.8/2587=3...(10) HG2 ARG 145 - HB2 LYS 85 OK 32 100 - 31 - 2587=4, 1.8/2587=3...(10) HB2 LEU 126 - HB2 LYS 85 OK 29 100 - 29 - 1.8/2584=3, 2587=3...(13) HB2 LEU 66 - HB2 LYS 85 lone 4 62 - 6 - HG2 ARG 55 - HB2 LYS 85 lone 3 94 - 3 - HG3 ARG 55 - HB2 LYS 85 lone 3 89 - 3 - Peak 2588 from aliabs.peaks (1.57, 1.72, 31.43 ppm; 3.49 A): 4 out of 11 assignments used, quality = 1.00: * HD3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.6=93, 2641/3.0=18...(72) HD2 LYS 85 + HB2 LYS 85 OK 92 92 - 100 - 3.6=93, 2630/3.0=15...(73) HG3 ARG 109 + HB2 LYS 85 OK 64 99 - 65 - 3561=10, 2600/1.8=6...(34) HG2 ARG 109 + HB2 LYS 85 OK 48 77 - 62 - 1.8/3561=9, 2587=7...(32) HG2 ARG 145 - HB2 LYS 85 OK 28 92 - 30 - 2588=4, 1.8/2587=3...(10) HG3 ARG 145 - HB2 LYS 85 OK 28 92 - 30 - 2587=4, 1.8/2587=3...(10) HB2 LEU 126 - HB2 LYS 85 OK 27 96 - 28 - 1.8/2584=3, 2588=3...(13) HG3 LYS 36 - HB2 LYS 85 OK 20 89 - 22 - 696/1.8=1, 3.0/2584=1...(7) HB2 LEU 66 - HB2 LYS 85 lone 7 94 - 7 - HG3 ARG 124 - HB2 LYS 85 lone 4 89 - 4 - HG2 ARG 55 - HB2 LYS 85 lone 2 62 - 3 - Peak 2594 from aliabs.peaks (4.23, 1.86, 31.43 ppm; 3.67 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 2.9=100 HA LYS 93 + HB3 LYS 85 OK 56 92 - 61 - 2605/3.0=9, 2616/3.0=9...(27) HA LYS 85 - HB3 LYS 76 OK 38 64 - 59 - 2572=9, 2574/3.0=6...(29) HB THR 102 - HB3 LYS 85 OK 30 100 - 30 - 2582/1.8=5, 2605/3.0=4...(15) HA LYS 93 - HB3 LYS 76 OK 24 54 - 44 - 10090/3.0=8, 3014/3.0=5...(19) HA PHE 45 - HB3 LYS 85 poor 10 72 - 13 - 1020=2, 2582/1.8=2...(4) HA ARG 141 - HB3 LYS 85 lone 8 94 - 8 - 2582/1.8=1, 2616/3.0=1 HB THR 102 - HB3 LYS 76 lone 2 64 - 3 - HA ARG 141 - HB3 LYS 76 lone 1 56 - 2 - HA PHE 45 - HB3 LYS 76 lone 1 39 - 2 - Peak 2595 from aliabs.peaks (1.72, 1.86, 31.43 ppm; 3.41 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 1.8=100 HD2 LYS 93 + HB3 LYS 85 OK 58 77 - 76 - 2617/3.0=5, 3.0/2598=5...(62) HB3 ARG 109 + HB3 LYS 85 OK 47 100 - 48 - 2.8/2600=4, 2.8/2599=4...(27) HB2 LYS 85 - HB3 LYS 76 OK 43 64 - 68 - 2584=10, 3.0/2607=6...(40) HB3 GLU 81 - HB3 LYS 85 OK 40 92 - 43 - ~8780=6, ~8787=5...(16) HB ILE 58 - HB3 LYS 85 OK 26 72 - 36 - 2606/3.0=4, ~1563=4...(16) HD2 LYS 93 - HB3 LYS 76 OK 23 42 - 54 - 3071/3.0=4, 3071/3.5=3...(37) HB3 ARG 144 - HB3 LYS 85 OK 17 81 - 20 - 4894=2, 3.0/4876=1...(9) HD2 LYS 36 - HB3 LYS 85 OK 11 72 - 14 - 1.8/718=1, 2.9/685=1...(4) HB3 GLU 81 - HB3 LYS 76 poor 6 54 - 10 - ~11554=2, ~11553=2...(4) HG3 ARG 89 - HB3 LYS 85 lone 4 96 - 4 - HB3 ARG 144 - HB3 LYS 76 lone 3 45 - 6 - HB3 ARG 109 - HB3 LYS 76 lone 2 63 - 4 - HB ILE 58 - HB3 LYS 76 lone 1 39 - 3 - HD2 LYS 36 - HB3 LYS 76 lone 1 39 - 2 - HG3 ARG 89 - HB3 LYS 76 lone 1 58 - 1 - Peak 2596 from aliabs.peaks (1.86, 1.86, 31.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 HB3 LYS 76 + HB3 LYS 76 OK 56 56 - 100 Peak 2597 from aliabs.peaks (1.33, 1.86, 31.43 ppm; 3.87 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 85 + HB3 LYS 76 OK 50 64 - 78 - 2607=10, 1.8/2618=8...(49) HG12 ILE 83 - HB3 LYS 85 OK 25 72 - 35 - 2585/1.8=6, 2619/3.0=6...(14) QB ALA 60 - HB3 LYS 85 OK 18 99 - 18 - 2585/1.8=4, 2619/3.0=3...(6) QB ALA 60 - HB3 LYS 76 poor 9 61 - 14 - 2280/3.0=2, 2245/2.9=2...(6) HG12 ILE 83 - HB3 LYS 76 poor 5 39 - 14 - ~10002=3, ~10015=2...(6) Peak 2598 from aliabs.peaks (1.53, 1.86, 31.43 ppm; 3.50 A): 4 out of 18 assignments used, quality = 1.00: * HG3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.0=100 HG3 LYS 76 + HB3 LYS 85 OK 69 99 - 70 - 2586/1.8=7, 1.8/2276=7...(39) HG3 LYS 76 + HB3 LYS 76 OK 61 61 - 100 - 3.0=100 HG2 LYS 93 + HB3 LYS 85 OK 58 81 - 71 - 2609/3.0=7, ~3062=6...(41) HG3 LYS 85 - HB3 LYS 76 OK 43 64 - 67 - 2618=10, 1.8/2607=8...(35) HB2 LEU 29 - HB3 LYS 76 OK 38 60 - 64 - 350/1.8=8, ~8075=5...(30) HD2 LYS 76 - HB3 LYS 85 OK 36 62 - 57 - 1.8/2309=6, 3.0/2276=5...(33) HD2 LYS 76 - HB3 LYS 76 OK 33 33 - 100 - 3.5=97, ~2245=12...(64) HB2 LEU 29 - HB3 LYS 85 OK 29 98 - 29 - ~10042=5, 2586/1.8=3...(13) HG2 LYS 93 - HB3 LYS 76 OK 26 45 - 58 - 2288/3.0=6, 2291/3.5=6...(34) HB2 LYS 123 - HB3 LYS 76 OK 20 33 - 62 - 1.8/2264=6, ~8658=5...(29) HG3 PRO 57 - HB3 LYS 85 OK 15 85 - 17 - ~8861=2, 2586/1.8=2...(7) QB ALA 135 - HB3 LYS 76 OK 11 51 - 22 - 4.0/10321=4, 2255/1.8=2...(11) QB ALA 135 - HB3 LYS 85 OK 11 89 - 13 - 6962/3.9=3, 4.0/10321=2...(5) HB2 GLU 122 - HB3 LYS 85 lone 9 100 - 9 - 2586/1.8=1, 3.0/2003=1 HB2 LYS 123 - HB3 LYS 85 poor 9 62 - 15 - 9465/10039=2, 2586/1.8=1...(5) HB2 GLU 122 - HB3 LYS 76 lone 6 64 - 10 - 2255/1.8=2, ~4075=1, 3.0/2003=1 HG3 PRO 57 - HB3 LYS 76 lone 5 48 - 9 - Peak 2599 from aliabs.peaks (1.57, 1.86, 31.43 ppm; 3.46 A): 3 out of 20 assignments used, quality = 1.00: * HD2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.6=91, 2630/3.0=17...(67) HD3 LYS 85 + HB3 LYS 85 OK 92 92 - 100 - 3.6=91, 2641/3.0=15...(67) HG2 ARG 109 + HB3 LYS 85 OK 56 99 - 57 - 2587/1.8=6, ~3561=6...(31) HB2 LEU 126 - HB3 LYS 76 OK 45 64 - 70 - 4278/1.8=7, 3.1/4301=6...(39) HG3 ARG 109 - HB3 LYS 85 OK 43 77 - 56 - 3561/1.8=6, 2611/3.0=4...(32) HD2 LYS 85 - HB3 LYS 76 OK 34 64 - 54 - 3.0/2607=6, 2629=5...(29) HD3 LYS 85 - HB3 LYS 76 OK 28 54 - 52 - 3.0/2607=6, 3.0/2618=5...(28) HG3 ARG 145 - HB3 LYS 85 OK 27 100 - 27 - 2587/1.8=3, ~2587=2...(9) HG2 ARG 145 - HB3 LYS 85 OK 27 100 - 26 - 2587/1.8=3, ~2587=2...(9) HB2 LEU 126 - HB3 LYS 85 OK 26 100 - 26 - 3.0/4269=3, 3.0/4293=3...(13) HB2 LEU 66 - HB3 LYS 76 OK 11 33 - 35 - ~9891=4, 1.8/2264=3...(18) HG2 ARG 55 - HB3 LYS 76 poor 9 56 - 17 - 9861/3.5=9, ~2249=1, ~2249=1 HG3 ARG 55 - HB3 LYS 76 poor 8 51 - 15 - 9861/3.5=8, ~2249=1, ~2249=1 HG2 ARG 55 - HB3 LYS 85 lone 3 94 - 3 - HG3 ARG 55 - HB3 LYS 85 lone 3 89 - 3 - HB2 LEU 66 - HB3 LYS 85 lone 3 62 - 4 - HG2 ARG 109 - HB3 LYS 76 lone 2 61 - 4 - HG3 ARG 109 - HB3 LYS 76 lone 2 42 - 4 - HG3 ARG 145 - HB3 LYS 76 lone 1 64 - 2 - HG2 ARG 145 - HB3 LYS 76 lone 1 64 - 2 - Peak 2600 from aliabs.peaks (1.57, 1.86, 31.43 ppm; 3.46 A): 3 out of 22 assignments used, quality = 1.00: * HD3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.6=91, 2641/3.0=17...(66) HD2 LYS 85 + HB3 LYS 85 OK 92 92 - 100 - 3.6=91, 2630/3.0=15...(67) HG3 ARG 109 + HB3 LYS 85 OK 58 99 - 59 - 3561/1.8=9, 2611/3.0=5...(32) HG2 ARG 109 - HB3 LYS 85 OK 43 77 - 56 - ~3561=6, 2587/1.8=5...(30) HB2 LEU 126 - HB3 LYS 76 OK 41 58 - 70 - 4278/1.8=7, 3.1/4301=6...(39) HD3 LYS 85 - HB3 LYS 76 OK 34 64 - 53 - 3.0/2607=6, 3.0/2618=5...(28) HD2 LYS 85 - HB3 LYS 76 OK 28 54 - 53 - 3.0/2607=6, 3.0/2618=5...(29) HB2 LEU 126 - HB3 LYS 85 OK 25 96 - 26 - 3.0/4269=3, 3.0/4293=3...(13) HG2 ARG 145 - HB3 LYS 85 OK 24 92 - 26 - 2588/1.8=3, ~2587=2...(9) HG3 ARG 145 - HB3 LYS 85 OK 24 92 - 26 - 2587/1.8=3, ~2587=2...(9) HB2 LEU 66 - HB3 LYS 76 OK 20 56 - 36 - ~9891=4, 1885/1.8=3...(18) HG3 LYS 36 - HB3 LYS 85 OK 19 89 - 21 - 2588/1.8=2, 696=2...(7) HG3 ARG 124 - HB3 LYS 76 poor 6 51 - 11 - ~10679=2, 11072/4301=1...(4) HB2 LEU 66 - HB3 LYS 85 lone 5 94 - 6 - HG2 ARG 55 - HB3 LYS 76 poor 4 33 - 12 - 9861/3.5=5, ~2249=1, ~2249=1 HG3 ARG 124 - HB3 LYS 85 lone 3 89 - 4 - HG3 ARG 109 - HB3 LYS 76 lone 3 61 - 4 - HG2 ARG 55 - HB3 LYS 85 lone 2 62 - 3 - HG2 ARG 109 - HB3 LYS 76 lone 1 42 - 3 - HG3 LYS 36 - HB3 LYS 76 lone 1 51 - 3 - HG2 ARG 145 - HB3 LYS 76 lone 1 54 - 2 - HG3 ARG 145 - HB3 LYS 76 lone 1 54 - 2 - Peak 2601 from aliabs.peaks (2.95, 1.86, 31.43 ppm; 4.20 A): 6 out of 22 assignments used, quality = 1.00: * HE2 LYS 85 + HB3 LYS 85 OK 99 100 - 99 - 4.8=66, ~2573=12...(79) HE3 LYS 85 + HB3 LYS 85 OK 97 98 - 99 - 4.8=66, ~2573=12...(78) HE2 LYS 93 + HB3 LYS 85 OK 82 100 - 82 - 2652/3.0=6, 3.8/2598=6...(55) HE3 LYS 93 + HB3 LYS 85 OK 73 89 - 82 - 2663/3.0=6, 3.8/2598=6...(57) HE2 LYS 48 + HB3 LYS 85 OK 72 100 - 72 - 2652/3.0=5, 2623/3.0=5...(52) HE3 LYS 48 + HB3 LYS 85 OK 69 100 - 70 - 2652/3.0=5, 2623/3.0=5...(45) HE2 LYS 85 - HB3 LYS 76 OK 41 64 - 64 - 3.5/2597=7, 3.5/2618=7...(42) HE3 LYS 85 - HB3 LYS 76 OK 38 60 - 64 - 3.5/2597=7, 3.5/2618=7...(41) HE2 LYS 93 - HB3 LYS 76 OK 24 64 - 38 - ~3071=3, 3.8/2287=3...(18) HE3 LYS 93 - HB3 LYS 76 OK 19 51 - 38 - ~3071=3, 3.8/2287=3...(22) HE2 LYS 48 - HB3 LYS 76 OK 13 64 - 20 - 3.6/1174=2, 3.6/1185=1...(4) HE3 LYS 48 - HB3 LYS 76 OK 13 64 - 20 - 3.6/1174=2, 3.6/1185=1...(4) HB2 PHE 106 - HB3 LYS 85 lone 7 100 - 7 - ~3429=2 HB2 TYR 115 - HB3 LYS 85 lone 4 100 - 4 - HB2 TYR 119 - HB3 LYS 85 lone 4 77 - 5 - HB3 PHE 67 - HB3 LYS 85 lone 3 100 - 3 - HB3 PHE 67 - HB3 LYS 76 lone 2 63 - 4 - ~9869=2 HB2 TYR 115 - HB3 LYS 76 lone 2 64 - 3 - HB2 PHE 106 - HB3 LYS 76 lone 1 63 - 2 - HB2 TYR 119 - HB3 LYS 76 lone 1 42 - 3 - ~3988=1 HB3 ASN 130 - HB3 LYS 85 lone 1 72 - 1 - HB3 ASN 130 - HB3 LYS 76 lone 0 39 - 1 - Peak 2602 from aliabs.peaks (2.94, 1.86, 31.43 ppm; 4.51 A): 6 out of 22 assignments used, quality = 1.00: * HE3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 4.8=82, ~2573=15...(79) HE2 LYS 85 + HB3 LYS 85 OK 98 98 - 100 - 4.8=82, ~2573=15...(79) HE3 LYS 93 + HB3 LYS 85 OK 85 99 - 86 - 2663/3.0=7, 3.8/2598=7...(58) HE2 LYS 93 + HB3 LYS 85 OK 83 96 - 86 - 2652/3.0=7, 3.8/2598=7...(57) HE3 LYS 48 + HB3 LYS 85 OK 73 100 - 74 - 2652/3.0=5, 2624/3.0=5...(52) HE2 LYS 48 + HB3 LYS 85 OK 72 94 - 76 - 2652/3.0=5, 2623/3.0=5...(57) HE3 LYS 85 - HB3 LYS 76 OK 44 64 - 69 - 3.5/2597=8, 3.5/2618=7...(44) HE2 LYS 85 - HB3 LYS 76 OK 41 60 - 69 - 3.5/2597=8, 3.5/2618=7...(44) HE3 LYS 93 - HB3 LYS 76 OK 26 61 - 43 - ~3071=4, ~3051=3...(22) HE2 LYS 93 - HB3 LYS 76 OK 24 58 - 42 - ~3071=4, ~3051=3...(21) HE3 LYS 48 - HB3 LYS 76 OK 14 63 - 22 - 3.6/1174=2, 3.6/1185=1...(4) HE2 LYS 48 - HB3 LYS 76 OK 13 56 - 22 - 3.6/1174=2, 3.6/1185=1...(4) HB2 PHE 106 - HB3 LYS 85 lone 7 92 - 7 - ~3429=3 HB2 TYR 119 - HB3 LYS 85 lone 5 94 - 6 - ~3988=1 HB2 TYR 115 - HB3 LYS 85 lone 4 94 - 4 - HB3 PHE 67 - HB3 LYS 85 lone 3 92 - 3 - HB3 PHE 67 - HB3 LYS 76 lone 2 54 - 4 - ~9869=3 HB2 TYR 115 - HB3 LYS 76 lone 2 56 - 4 - HB2 TYR 119 - HB3 LYS 76 lone 2 56 - 4 - ~3988=1 HB3 ASN 130 - HB3 LYS 85 lone 2 92 - 2 - HB2 PHE 106 - HB3 LYS 76 lone 1 54 - 2 - HB3 ASN 130 - HB3 LYS 76 lone 1 54 - 1 - Peak 2605 from aliabs.peaks (4.23, 1.33, 25.93 ppm; 3.39 A): 2 out of 5 assignments used, quality = 0.98: * HA LYS 85 + HG2 LYS 85 OK 95 100 - 95 - 4.0=60, 3.0/6961=25...(39) HA LYS 93 + HG2 LYS 85 OK 55 92 - 60 - 2616/1.8=10, 2594/3.0=6...(32) HB THR 102 - HG2 LYS 85 OK 23 100 - 23 - 2616/1.8=4, 2582/3.0=3...(8) HA ARG 141 - HG2 LYS 85 lone 6 94 - 6 - 2616/1.8=1 HA PHE 45 - HG2 LYS 85 lone 5 72 - 7 - 2594/3.0=1, 2616/1.8=1 Peak 2606 from aliabs.peaks (1.72, 1.33, 25.93 ppm; 3.53 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.0=100 HD2 LYS 93 + HG2 LYS 85 OK 67 77 - 87 - 2617/1.8=7, 3.0/2609=7...(76) HB3 GLU 81 + HG2 LYS 85 OK 57 92 - 62 - 3.0/8780=13, 3.0/8787=10...(24) HB3 ARG 109 + HG2 LYS 85 OK 56 100 - 56 - 2617/1.8=6, 2.8/2611=5...(30) HB ILE 58 - HG2 LYS 85 OK 29 72 - 40 - 2.1/10416=8, 2617/1.8=5...(16) HB3 ARG 144 - HG2 LYS 85 OK 15 81 - 18 - 2617/1.8=2, 1.8/2607=2 HD2 LYS 36 - HG2 LYS 85 OK 13 72 - 18 - 2617/1.8=1, 2.9/2611=1 HG3 ARG 89 - HG2 LYS 85 lone 4 96 - 4 - Peak 2607 from aliabs.peaks (1.86, 1.33, 25.93 ppm; 3.65 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HG2 LYS 85 OK 69 94 - 74 - 2597=10, 2618/1.8=8...(45) HB2 LYS 48 + HG2 LYS 85 OK 63 100 - 63 - 2618/1.8=7, 2584/3.0=5...(28) HB3 LYS 48 + HG2 LYS 85 OK 55 89 - 61 - 2618/1.8=5, ~2618=4...(28) HB3 LEU 126 - HG2 LYS 85 OK 42 98 - 43 - 2618/1.8=4, 2584/3.0=3...(23) HB2 LYS 36 - HG2 LYS 85 OK 20 89 - 22 - 2618/1.8=2, 2584/3.0=2...(5) HG LEU 69 - HG2 LYS 85 OK 17 96 - 18 - 2618/1.8=2, 2584/3.0=2...(10) HB2 ARG 144 - HG2 LYS 85 OK 16 96 - 17 - 1.8/2606=2, 2584/3.0=2...(4) HB3 GLU 28 - HG2 LYS 85 OK 16 92 - 17 - 2618/1.8=2, 2584/3.0=2...(4) Peak 2608 from aliabs.peaks (1.33, 1.33, 25.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 Peak 2609 from aliabs.peaks (1.53, 1.33, 25.93 ppm; 2.71 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 1.8=100 HG3 LYS 76 + HG2 LYS 85 OK 48 99 - 49 - 3.0/2607=4, 2598/3.0=3...(18) HG2 LYS 93 + HG2 LYS 85 OK 47 81 - 58 - 4.0/2605=4, 2598/3.0=3...(28) HD2 LYS 76 - HG2 LYS 85 OK 24 62 - 38 - 3.5/2607=3, 2598/3.0=2...(12) HB2 LEU 29 - HG2 LYS 85 OK 21 98 - 21 - 3.0/10042=6, ~10043=2...(6) HG3 PRO 57 - HG2 LYS 85 lone 8 85 - 10 - QB ALA 135 - HG2 LYS 85 lone 6 89 - 7 - HB2 GLU 122 - HG2 LYS 85 lone 6 100 - 6 - HB2 LYS 123 - HG2 LYS 85 lone 6 62 - 9 - Peak 2610 from aliabs.peaks (1.57, 1.33, 25.93 ppm; 2.78 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 85 + HG2 LYS 85 OK 97 100 - 97 - 3.0=83, 1.8/2641=17...(42) HD3 LYS 85 + HG2 LYS 85 OK 89 92 - 97 - 3.0=83, 1.8/2630=17...(40) HG2 ARG 109 - HG2 LYS 85 OK 44 99 - 44 - 2621/1.8=4, 2.8/2606=3...(18) HG3 ARG 109 - HG2 LYS 85 OK 33 77 - 43 - 2622/1.8=4, 3561/3.0=3...(20) HB2 LEU 126 - HG2 LYS 85 OK 19 100 - 19 - 1.8/2607=2, 2621/1.8=2...(5) HG3 ARG 145 - HG2 LYS 85 OK 17 100 - 17 - 2621/1.8=2, 2587/3.0=1 HG2 ARG 145 - HG2 LYS 85 OK 17 100 - 17 - 2621/1.8=2, 2587/3.0=1 HB2 LEU 66 - HG2 LYS 85 lone 4 62 - 7 - HG2 ARG 55 - HG2 LYS 85 lone 2 94 - 2 - HG3 ARG 55 - HG2 LYS 85 lone 2 89 - 2 - Peak 2611 from aliabs.peaks (1.57, 1.33, 25.93 ppm; 2.78 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 85 + HG2 LYS 85 OK 97 100 - 97 - 3.0=83, 1.8/2630=17...(40) HD2 LYS 85 + HG2 LYS 85 OK 89 92 - 97 - 3.0=83, 1.8/2641=17...(42) HG3 ARG 109 - HG2 LYS 85 OK 45 99 - 45 - 2622/1.8=4, 3561/3.0=4...(20) HG2 ARG 109 - HG2 LYS 85 OK 33 77 - 43 - 2621/1.8=4, 2.8/2606=3...(18) HB2 LEU 126 - HG2 LYS 85 OK 18 96 - 19 - 1.8/2607=2, 2622/1.8=2...(5) HG2 ARG 145 - HG2 LYS 85 OK 15 92 - 16 - 2622/1.8=2, 2588/3.0=1 HG3 ARG 145 - HG2 LYS 85 OK 15 92 - 16 - 2621/1.8=2, 2587/3.0=1 HG3 LYS 36 - HG2 LYS 85 OK 12 89 - 14 - 2622/1.8=1 HB2 LEU 66 - HG2 LYS 85 lone 7 94 - 7 - HG3 ARG 124 - HG2 LYS 85 lone 3 89 - 3 - HG2 ARG 55 - HG2 LYS 85 lone 1 62 - 1 - Peak 2612 from aliabs.peaks (2.95, 1.33, 25.93 ppm; 3.64 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.5=100 HE3 LYS 85 + HG2 LYS 85 OK 98 98 - 100 - 3.5=100 HE2 LYS 93 + HG2 LYS 85 OK 80 100 - 80 - 2652=8, 1.8/2663=7...(55) HE3 LYS 93 + HG2 LYS 85 OK 72 89 - 81 - 2663=7, 1.8/2652=7...(60) HE2 LYS 48 + HG2 LYS 85 OK 68 100 - 68 - 2652=6, 1.8/2652=5...(38) HE3 LYS 48 + HG2 LYS 85 OK 66 100 - 66 - 2652=6, 1.8/2652=6...(36) HB2 PHE 106 - HG2 LYS 85 OK 10 100 - 10 - ~3429=1 HB3 PHE 67 - HG2 LYS 85 lone 7 100 - 7 - HB2 TYR 115 - HG2 LYS 85 lone 6 100 - 6 - HB2 TYR 119 - HG2 LYS 85 lone 4 77 - 5 - HB3 ASN 130 - HG2 LYS 85 lone 2 72 - 3 - Peak 2613 from aliabs.peaks (2.94, 1.33, 25.93 ppm; 3.57 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 3.5=100 HE2 LYS 85 + HG2 LYS 85 OK 98 98 - 100 - 3.5=100 HE3 LYS 93 + HG2 LYS 85 OK 79 99 - 80 - 2663=7, 1.8/2652=7...(57) HE2 LYS 93 + HG2 LYS 85 OK 76 96 - 79 - 2652=8, 1.8/2663=7...(55) HE3 LYS 48 + HG2 LYS 85 OK 64 100 - 65 - 2652=6, 1.8/2652=5...(35) HE2 LYS 48 + HG2 LYS 85 OK 62 94 - 66 - 2652=6, 1.8/2652=5...(37) HB2 PHE 106 - HG2 LYS 85 lone 9 92 - 10 - ~3429=1 HB3 PHE 67 - HG2 LYS 85 lone 6 92 - 6 - HB2 TYR 115 - HG2 LYS 85 lone 5 94 - 5 - HB2 TYR 119 - HG2 LYS 85 lone 4 94 - 5 - HB3 ASN 130 - HG2 LYS 85 lone 2 92 - 3 - Peak 2616 from aliabs.peaks (4.23, 1.53, 25.93 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 85 + HG3 LYS 85 OK 99 100 - 99 - 4.0=84, 2573/1.8=39...(41) HA LYS 93 + HG3 LYS 85 OK 67 92 - 73 - 2605/1.8=13, 3014=8...(35) HB THR 102 - HG3 LYS 85 OK 28 100 - 28 - 2605/1.8=5, 2582/3.0=4...(10) HA ARG 141 - HG3 LYS 85 lone 8 94 - 8 - 2605/1.8=1, 2582/3.0=1 HA PHE 45 - HG3 LYS 85 lone 7 72 - 9 - 2594/3.0=2, 2582/3.0=2 Peak 2617 from aliabs.peaks (1.72, 1.53, 25.93 ppm; 3.50 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.0=100 HD2 LYS 93 + HG3 LYS 85 OK 67 77 - 87 - 2606/1.8=7, 1.8/3082=6...(69) HB3 GLU 81 + HG3 LYS 85 OK 55 92 - 60 - 3.0/8779=10, ~8780=9...(22) HB3 ARG 109 + HG3 LYS 85 OK 52 100 - 52 - 2606/1.8=6, 2.8/2622=5...(28) HB ILE 58 - HG3 LYS 85 OK 25 72 - 35 - 2606/1.8=6, ~10416=6...(13) HB3 ARG 144 - HG3 LYS 85 OK 14 81 - 17 - 2606/1.8=2, 1.8/2618=1 HD2 LYS 36 - HG3 LYS 85 OK 13 72 - 17 - 2606/1.8=1, 2.9/2622=1 HG3 ARG 89 - HG3 LYS 85 lone 4 96 - 4 - Peak 2618 from aliabs.peaks (1.86, 1.53, 25.93 ppm; 3.76 A): 5 out of 9 assignments used, quality = 1.00: * HB3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HG3 LYS 85 OK 68 94 - 73 - 2607/1.8=9, 1.8/2255=7...(42) HB2 LYS 48 + HG3 LYS 85 OK 67 100 - 67 - 2607/1.8=7, 2584/3.0=5...(32) HB3 LYS 48 + HG3 LYS 85 OK 58 89 - 65 - 2607/1.8=5, ~2607=5...(32) HB3 LEU 126 + HG3 LYS 85 OK 45 98 - 46 - 2607/1.8=4, 2584/3.0=3...(25) HB2 LYS 36 - HG3 LYS 85 OK 21 89 - 24 - 2607/1.8=2, 2584/3.0=2...(6) HG LEU 69 - HG3 LYS 85 OK 20 96 - 21 - 2584/3.0=2, 2607/1.8=2...(10) HB3 GLU 28 - HG3 LYS 85 OK 19 92 - 20 - 2607/1.8=2, 2584/3.0=2...(8) HB2 ARG 144 - HG3 LYS 85 OK 18 96 - 18 - 1.8/2617=2, 2584/3.0=2...(6) Peak 2619 from aliabs.peaks (1.33, 1.53, 25.93 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 1.8=100 HG12 ILE 83 - HG3 LYS 85 OK 20 72 - 28 - 3.2/10017=4, 2.1/10002=4...(13) QB ALA 60 - HG3 LYS 85 OK 12 99 - 12 - 2585/3.0=2, 2597/3.0=2...(6) Peak 2620 from aliabs.peaks (1.53, 1.53, 25.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 Peak 2621 from aliabs.peaks (1.57, 1.53, 25.93 ppm; 2.50 A): 2 out of 10 assignments used, quality = 0.98: * HD2 LYS 85 + HG3 LYS 85 OK 89 100 - 89 - 3.0=61, 2630/1.8=14...(38) HD3 LYS 85 + HG3 LYS 85 OK 82 92 - 89 - 3.0=61, 2641/1.8=12...(36) HG2 ARG 109 - HG3 LYS 85 OK 33 99 - 34 - 2610/1.8=4, 2.8/2617=2...(15) HG3 ARG 109 - HG3 LYS 85 OK 25 77 - 33 - 2611/1.8=3, 3561/3.0=2...(13) HB2 LEU 126 - HG3 LYS 85 OK 15 100 - 15 - 2610/1.8=2, 1.8/2618=2, ~2607=1 HG3 ARG 145 - HG3 LYS 85 OK 13 100 - 13 - 2610/1.8=1, 2587/3.0=1 HG2 ARG 145 - HG3 LYS 85 OK 13 100 - 13 - 2610/1.8=1, 2587/3.0=1 HB2 LEU 66 - HG3 LYS 85 lone 3 62 - 5 - HG2 ARG 55 - HG3 LYS 85 lone 1 94 - 1 - HG3 ARG 55 - HG3 LYS 85 lone 1 89 - 1 - Peak 2622 from aliabs.peaks (1.57, 1.53, 25.93 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HD3 LYS 85 + HG3 LYS 85 OK 89 100 - 89 - 3.0=61, 2641/1.8=14...(36) HD2 LYS 85 + HG3 LYS 85 OK 82 92 - 89 - 3.0=61, 2630/1.8=12...(37) HG3 ARG 109 - HG3 LYS 85 OK 34 99 - 35 - 2611/1.8=4, 3561/3.0=3...(13) HG2 ARG 109 - HG3 LYS 85 OK 25 77 - 33 - 2610/1.8=3, 2.8/2617=2...(15) HB2 LEU 126 - HG3 LYS 85 OK 14 96 - 15 - 1.8/2618=2, 2611/1.8=2, ~2607=1 HG2 ARG 145 - HG3 LYS 85 OK 12 92 - 13 - 2611/1.8=1, 2588/3.0=1 HG3 ARG 145 - HG3 LYS 85 OK 12 92 - 13 - 2610/1.8=1 HG3 LYS 36 - HG3 LYS 85 poor 9 89 - 10 - HB2 LEU 66 - HG3 LYS 85 lone 5 94 - 5 - HG3 ARG 124 - HG3 LYS 85 lone 2 89 - 2 - HG2 ARG 55 - HG3 LYS 85 lone 1 62 - 1 - Peak 2623 from aliabs.peaks (2.95, 1.53, 25.93 ppm; 3.93 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.5=100 HE3 LYS 85 + HG3 LYS 85 OK 98 98 - 100 - 3.5=100 HE2 LYS 93 + HG3 LYS 85 OK 84 100 - 85 - 2652/1.8=7, 3.0/2617=7...(57) HE3 LYS 93 + HG3 LYS 85 OK 76 89 - 86 - 2663/1.8=7, 3.0/2617=7...(64) HE2 LYS 48 + HG3 LYS 85 OK 73 100 - 73 - 2652/1.8=6, ~2652=4...(39) HE3 LYS 48 + HG3 LYS 85 OK 72 100 - 72 - 2652/1.8=6, ~2652=4...(39) HB2 PHE 106 - HG3 LYS 85 OK 13 100 - 13 - ~3429=1, ~3440=1, ~3440=1 HB2 TYR 115 - HG3 LYS 85 lone 8 100 - 8 - HB3 PHE 67 - HG3 LYS 85 lone 7 100 - 7 - ~1936=1, ~1936=1 HB2 TYR 119 - HG3 LYS 85 lone 5 77 - 6 - 3.0/3988=1 HB3 ASN 130 - HG3 LYS 85 lone 2 72 - 3 - Peak 2624 from aliabs.peaks (2.94, 1.53, 25.93 ppm; 3.80 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.5=100 HE2 LYS 85 + HG3 LYS 85 OK 98 98 - 100 - 3.5=100 HE3 LYS 93 + HG3 LYS 85 OK 83 99 - 84 - 2663/1.8=7, 3.0/2617=6...(59) HE2 LYS 93 + HG3 LYS 85 OK 79 96 - 82 - 2652/1.8=7, 3.0/2617=6...(54) HE3 LYS 48 + HG3 LYS 85 OK 69 100 - 70 - 2652/1.8=5, ~2652=4...(36) HE2 LYS 48 + HG3 LYS 85 OK 66 94 - 70 - 2652/1.8=6, ~2652=4...(36) HB2 PHE 106 - HG3 LYS 85 OK 11 92 - 12 - ~3429=1, ~3440=1, ~3440=1 HB2 TYR 115 - HG3 LYS 85 lone 7 94 - 7 - HB3 PHE 67 - HG3 LYS 85 lone 6 92 - 6 - ~1936=1 HB2 TYR 119 - HG3 LYS 85 lone 5 94 - 6 - 3.0/3988=1 HB3 ASN 130 - HG3 LYS 85 lone 3 92 - 3 - Peak 2627 from aliabs.peaks (4.23, 1.57, 28.74 ppm; 4.04 A): 3 out of 10 assignments used, quality = 1.00: * HA LYS 85 + HD2 LYS 85 OK 98 100 - 98 - 5.2=46, 2573/3.0=33...(47) HA LYS 85 + HD3 LYS 85 OK 71 73 - 97 - 5.2=46, 2573/3.0=33...(47) HA LYS 93 + HD2 LYS 85 OK 63 92 - 69 - 2605/3.0=11, 2616/3.0=10...(34) HA LYS 93 - HD3 LYS 85 OK 42 62 - 67 - 2605/3.0=11, 2616/3.0=10...(32) HB THR 102 - HD2 LYS 85 OK 25 100 - 25 - 2605/3.0=4, 2582/3.6=4...(8) HB THR 102 - HD3 LYS 85 OK 18 73 - 25 - 2605/3.0=4, 2582/3.6=4...(8) HA ARG 141 - HD2 LYS 85 lone 7 94 - 7 - 2616/3.0=1, 2605/3.0=1 HA PHE 45 - HD2 LYS 85 lone 6 72 - 8 - 2594/3.6=2, 2582/3.6=2...(4) HA ARG 141 - HD3 LYS 85 lone 5 65 - 7 - 2616/3.0=1, 2605/3.0=1 HA PHE 45 - HD3 LYS 85 lone 4 46 - 8 - 2594/3.6=2, 2582/3.6=2...(4) Peak 2628 from aliabs.peaks (1.72, 1.57, 28.74 ppm; 3.28 A): 5 out of 16 assignments used, quality = 1.00: * HB2 LYS 85 + HD2 LYS 85 OK 99 100 - 99 - 3.6=78, 3.0/2630=16...(64) HB2 LYS 85 + HD3 LYS 85 OK 72 73 - 99 - 3.6=78, 3.0/2641=12...(63) HD2 LYS 93 + HD2 LYS 85 OK 58 77 - 76 - 2617/3.0=5, 2606/3.0=5...(66) HB3 GLU 81 + HD2 LYS 85 OK 50 92 - 54 - 3.0/11570=8, ~8780=6...(24) HB3 ARG 109 + HD2 LYS 85 OK 46 100 - 46 - 2606/3.0=4, 2617/3.0=4...(26) HD2 LYS 93 - HD3 LYS 85 OK 37 49 - 75 - 2617/3.0=5, 2606/3.0=5...(66) HB3 GLU 81 - HD3 LYS 85 OK 35 62 - 57 - 3.0/11570=6, ~8786=6...(24) HB3 ARG 109 - HD3 LYS 85 OK 32 72 - 44 - 2606/3.0=4, 2617/3.0=4...(26) HB ILE 58 - HD2 LYS 85 OK 14 72 - 19 - 2606/3.0=4, 2617/3.0=4...(7) HB3 ARG 144 - HD2 LYS 85 poor 9 81 - 11 - 2606/3.0=1, 2617/3.0=1 HB ILE 58 - HD3 LYS 85 poor 9 46 - 19 - 2606/3.0=4, 2617/3.0=4...(7) HD2 LYS 36 - HD2 LYS 85 poor 8 72 - 11 - ~721=1 HB3 ARG 144 - HD3 LYS 85 poor 6 53 - 10 - 2606/3.0=1, 2617/3.0=1 HD2 LYS 36 - HD3 LYS 85 poor 5 46 - 10 - HG3 ARG 89 - HD2 LYS 85 lone 3 96 - 3 - HG3 ARG 89 - HD3 LYS 85 lone 2 67 - 2 - Peak 2629 from aliabs.peaks (1.86, 1.57, 28.74 ppm; 3.73 A): 5 out of 18 assignments used, quality = 1.00: * HB3 LYS 85 + HD2 LYS 85 OK 100 100 - 100 - 3.6=100 HB3 LYS 85 + HD3 LYS 85 OK 73 73 - 100 - 3.6=100 HB2 LYS 48 + HD2 LYS 85 OK 59 100 - 59 - 2607/3.0=5, 2618/3.0=5...(34) HB3 LYS 76 + HD2 LYS 85 OK 54 94 - 58 - 2607/3.0=7, 2618/3.0=6...(35) HB3 LYS 48 + HD2 LYS 85 OK 51 89 - 57 - 2607/3.0=4, 2618/3.0=4...(34) HB3 LEU 126 - HD2 LYS 85 OK 44 98 - 45 - 4284=4, 4284/1.8=3...(27) HB2 LYS 48 - HD3 LYS 85 OK 41 72 - 58 - 2607/3.0=5, 2618/3.0=5...(30) HB3 LYS 76 - HD3 LYS 85 OK 36 65 - 56 - 2607/3.0=7, 2618/3.0=6...(34) HB3 LYS 48 - HD3 LYS 85 OK 33 59 - 56 - 2607/3.0=4, 2618/3.0=4...(30) HB3 LEU 126 - HD3 LYS 85 OK 31 69 - 45 - 4284=4, 4284/1.8=3...(28) HB2 LYS 36 - HD2 LYS 85 OK 15 89 - 16 - ~677=2, 2618/3.0=2...(7) HB2 ARG 144 - HD2 LYS 85 OK 11 96 - 11 - 2584/3.6=1, 2607/3.0=1 HB3 GLU 28 - HD2 LYS 85 poor 9 92 - 10 - 2618/3.0=2, 2584/3.6=1...(6) HG LEU 69 - HD2 LYS 85 lone 9 96 - 9 - 2584/3.6=2, 2618/3.0=2...(4) HB2 LYS 36 - HD3 LYS 85 poor 8 59 - 14 - 2618/3.0=2, 2607/3.0=2...(4) HB2 ARG 144 - HD3 LYS 85 poor 7 67 - 10 - 2584/3.6=1, 2607/3.0=1 HB3 GLU 28 - HD3 LYS 85 lone 6 62 - 10 - 2618/3.0=2, 2584/3.6=1...(6) HG LEU 69 - HD3 LYS 85 lone 6 67 - 9 - 2584/3.6=2, 2618/3.0=2...(4) Peak 2630 from aliabs.peaks (1.33, 1.57, 28.74 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 85 + HD2 LYS 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 85 + HD3 LYS 85 OK 73 73 - 100 - 3.0=100 HG12 ILE 83 - HD2 LYS 85 OK 17 72 - 24 - 2619/3.0=4, 2585/3.6=3...(12) QB ALA 60 - HD2 LYS 85 OK 11 99 - 11 - 2619/3.0=3, 2585/3.6=2 HG12 ILE 83 - HD3 LYS 85 OK 11 46 - 24 - 2619/3.0=4, 2585/3.6=3...(12) QB ALA 60 - HD3 LYS 85 poor 7 70 - 10 - 2619/3.0=3, 2585/3.6=2 Peak 2631 from aliabs.peaks (1.53, 1.57, 28.74 ppm; 2.50 A): 2 out of 18 assignments used, quality = 0.96: * HG3 LYS 85 + HD2 LYS 85 OK 89 100 - 89 - 3.0=61, 1.8/2630=13...(38) HG3 LYS 85 + HD3 LYS 85 OK 65 73 - 89 - 3.0=61, 1.8/2641=10...(36) HG2 LYS 93 - HD2 LYS 85 OK 35 81 - 43 - 2609/3.0=4, 2598/3.6=2...(12) HG3 LYS 76 - HD2 LYS 85 OK 26 99 - 27 - 2609/3.0=3, 2586/3.6=2...(7) HG2 LYS 93 - HD3 LYS 85 OK 22 53 - 42 - 2609/3.0=4, 2598/3.6=2...(12) HG3 LYS 76 - HD3 LYS 85 OK 18 70 - 25 - 2609/3.0=3, 2586/3.6=2...(7) HB2 LEU 29 - HD2 LYS 85 OK 12 98 - 12 - ~10042=2, 2609/3.0=1 HD2 LYS 76 - HD2 LYS 85 OK 10 62 - 17 - 2609/3.0=2, 2598/3.6=1...(5) HB2 LEU 29 - HD3 LYS 85 poor 8 69 - 12 - ~10042=2, 2609/3.0=1 HD2 LYS 76 - HD3 LYS 85 poor 6 39 - 16 - 2609/3.0=2, 2598/3.6=1 HG3 PRO 57 - HD2 LYS 85 lone 5 85 - 5 - HB2 GLU 122 - HD2 LYS 85 lone 3 100 - 3 - QB ALA 135 - HD2 LYS 85 lone 3 89 - 3 - HG3 PRO 57 - HD3 LYS 85 lone 3 56 - 5 - HB2 LYS 123 - HD2 LYS 85 lone 3 62 - 5 - HB2 GLU 122 - HD3 LYS 85 lone 2 73 - 3 - QB ALA 135 - HD3 LYS 85 lone 2 59 - 3 - HB2 LYS 123 - HD3 LYS 85 lone 2 39 - 4 - Peak 2632 from aliabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 85 + HD2 LYS 85 OK 100 100 - 100 HD3 LYS 85 + HD3 LYS 85 OK 62 62 - 100 Peak 2633 from aliabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HD2 LYS 85 + HD2 LYS 85 OK 92 92 - 100 HD3 LYS 85 + HD3 LYS 85 OK 73 73 - 100 Reference assignment not found: HD3 LYS 85 - HD2 LYS 85 Peak 2634 from aliabs.peaks (2.95, 1.57, 28.74 ppm; 3.26 A): 9 out of 22 assignments used, quality = 1.00: * HE2 LYS 85 + HD2 LYS 85 OK 100 100 - 100 - 2.9=100 HE3 LYS 85 + HD2 LYS 85 OK 98 98 - 100 - 2.9=100 HE2 LYS 85 + HD3 LYS 85 OK 73 73 - 100 - 2.9=100 HE3 LYS 85 + HD3 LYS 85 OK 69 69 - 100 - 2.9=100 HE2 LYS 93 + HD2 LYS 85 OK 64 100 - 64 - 2652/3.0=4, 2623/3.0=4...(43) HE3 LYS 93 + HD2 LYS 85 OK 57 89 - 64 - 2663/3.0=4, 2624/3.0=3...(44) HE2 LYS 48 + HD2 LYS 85 OK 48 100 - 48 - 2652/3.0=4, 2623/3.0=3...(24) HE3 LYS 48 + HD2 LYS 85 OK 46 100 - 46 - 2652/3.0=3, 2623/3.0=3...(24) HE2 LYS 93 + HD3 LYS 85 OK 46 73 - 62 - 2652/3.0=4, 2623/3.0=4...(42) HE3 LYS 93 - HD3 LYS 85 OK 37 59 - 63 - 2663/3.0=4, 2624/3.0=3...(43) HE2 LYS 48 - HD3 LYS 85 OK 34 73 - 47 - 2652/3.0=4, 2623/3.0=3...(25) HE3 LYS 48 - HD3 LYS 85 OK 33 73 - 46 - 2652/3.0=3, 2623/3.0=3...(23) HB2 PHE 106 - HD2 LYS 85 lone 9 100 - 9 - HB2 PHE 106 - HD3 LYS 85 lone 6 72 - 8 - HB3 PHE 67 - HD2 LYS 85 lone 6 100 - 6 - HB2 TYR 115 - HD2 LYS 85 lone 5 100 - 5 - HB3 PHE 67 - HD3 LYS 85 lone 4 72 - 6 - HB2 TYR 115 - HD3 LYS 85 lone 4 73 - 5 - HB2 TYR 119 - HD2 LYS 85 lone 2 77 - 3 - HB3 ASN 130 - HD2 LYS 85 lone 2 72 - 2 - HB2 TYR 119 - HD3 LYS 85 lone 2 49 - 3 - HB3 ASN 130 - HD3 LYS 85 lone 1 46 - 2 - Peak 2635 from aliabs.peaks (2.94, 1.57, 28.74 ppm; 2.91 A): 6 out of 22 assignments used, quality = 1.00: * HE3 LYS 85 + HD2 LYS 85 OK 99 100 - 99 - 2.9=97, 3.5/2630=10...(39) HE2 LYS 85 + HD2 LYS 85 OK 97 98 - 99 - 2.9=97, 3.5/2630=10...(40) HE3 LYS 85 + HD3 LYS 85 OK 73 73 - 99 - 2.9=97, 3.5/2641=8...(38) HE2 LYS 85 + HD3 LYS 85 OK 68 69 - 99 - 2.9=97, 3.5/2641=8...(39) HE3 LYS 93 + HD2 LYS 85 OK 54 99 - 54 - 2663/3.0=4, 2665=3...(32) HE2 LYS 93 + HD2 LYS 85 OK 51 96 - 53 - 2652/3.0=3, 2654=3...(31) HE3 LYS 48 - HD2 LYS 85 OK 38 100 - 38 - 2663/3.0=3, 2624/3.0=2...(20) HE3 LYS 93 - HD3 LYS 85 OK 37 70 - 53 - 2663/3.0=4, 2624/3.0=3...(32) HE2 LYS 48 - HD2 LYS 85 OK 37 94 - 39 - 2652/3.0=3, 2623/3.0=2...(20) HE2 LYS 93 - HD3 LYS 85 OK 35 67 - 52 - 2652/3.0=3, 2623/3.0=3...(29) HE3 LYS 48 - HD3 LYS 85 OK 27 72 - 37 - 2663/3.0=3, 2624/3.0=2...(19) HE2 LYS 48 - HD3 LYS 85 OK 25 65 - 38 - 2652/3.0=3, 2623/3.0=2...(19) HB2 PHE 106 - HD2 LYS 85 lone 6 92 - 6 - HB2 PHE 106 - HD3 LYS 85 lone 4 62 - 6 - HB3 PHE 67 - HD2 LYS 85 lone 4 92 - 4 - HB2 TYR 115 - HD2 LYS 85 lone 4 94 - 4 - HB3 PHE 67 - HD3 LYS 85 lone 3 62 - 4 - HB2 TYR 115 - HD3 LYS 85 lone 2 65 - 4 - HB2 TYR 119 - HD2 LYS 85 lone 2 94 - 2 - HB2 TYR 119 - HD3 LYS 85 lone 2 65 - 2 - HB3 ASN 130 - HD2 LYS 85 lone 2 92 - 2 - HB3 ASN 130 - HD3 LYS 85 lone 1 62 - 2 - Peak 2638 from aliabs.peaks (4.23, 1.57, 28.74 ppm; 4.12 A): 3 out of 10 assignments used, quality = 1.00: * HA LYS 85 + HD3 LYS 85 OK 98 100 - 98 - 5.2=49, 2573/3.0=34...(47) HA LYS 85 + HD2 LYS 85 OK 72 73 - 98 - 5.2=49, 2573/3.0=34...(48) HA LYS 93 + HD3 LYS 85 OK 64 92 - 70 - 2605/3.0=11, 2616/3.0=11...(33) HA LYS 93 - HD2 LYS 85 OK 43 62 - 69 - 2605/3.0=11, 2616/3.0=11...(31) HB THR 102 - HD3 LYS 85 OK 25 100 - 25 - 2605/3.0=5, 2582/3.6=5...(8) HB THR 102 - HD2 LYS 85 OK 19 73 - 25 - 2605/3.0=5, 2582/3.6=5...(8) HA ARG 141 - HD3 LYS 85 lone 7 94 - 7 - 2616/3.0=1, 2582/3.6=1 HA PHE 45 - HD3 LYS 85 lone 6 72 - 8 - 2594/3.6=2, 2582/3.6=2...(4) HA ARG 141 - HD2 LYS 85 lone 5 65 - 7 - 2616/3.0=1, 2582/3.6=1 HA PHE 45 - HD2 LYS 85 lone 4 46 - 8 - 2594/3.6=2, 2582/3.6=2...(4) Peak 2639 from aliabs.peaks (1.72, 1.57, 28.74 ppm; 3.25 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 85 + HD3 LYS 85 OK 99 100 - 99 - 3.6=75, 3.0/2641=16...(62) HB2 LYS 85 + HD2 LYS 85 OK 72 73 - 98 - 3.6=75, 3.0/2641=11...(63) HD2 LYS 93 + HD3 LYS 85 OK 58 77 - 75 - 2617/3.0=5, 2606/3.0=5...(63) HB3 GLU 81 + HD3 LYS 85 OK 52 92 - 57 - ~8786=6, 3.0/11569=5...(26) HB3 ARG 109 - HD3 LYS 85 OK 44 100 - 45 - 2606/3.0=4, 2617/3.0=4...(28) HD2 LYS 93 - HD2 LYS 85 OK 36 49 - 74 - 2617/3.0=5, 2606/3.0=5...(63) HB3 GLU 81 - HD2 LYS 85 OK 32 62 - 51 - 3.0/11570=6, ~8780=5...(24) HB3 ARG 109 - HD2 LYS 85 OK 30 72 - 43 - 2606/3.0=4, 2617/3.0=4...(25) HB ILE 58 - HD3 LYS 85 OK 13 72 - 18 - 2606/3.0=4, 2617/3.0=4...(7) HD2 LYS 36 - HD3 LYS 85 poor 10 72 - 13 - 2.9/688=1, 1.8/721=1, 3.6/677=1 HB3 ARG 144 - HD3 LYS 85 poor 9 81 - 10 - 2606/3.0=1, 2617/3.0=1 HB ILE 58 - HD2 LYS 85 poor 8 46 - 18 - 2606/3.0=4, 2617/3.0=4...(7) HB3 ARG 144 - HD2 LYS 85 lone 5 53 - 10 - 2606/3.0=1, 2617/3.0=1 HD2 LYS 36 - HD2 LYS 85 poor 5 46 - 10 - ~721=1 HG3 ARG 89 - HD3 LYS 85 lone 2 96 - 2 - HG3 ARG 89 - HD2 LYS 85 lone 2 67 - 2 - Peak 2640 from aliabs.peaks (1.86, 1.57, 28.74 ppm; 3.55 A): 5 out of 18 assignments used, quality = 1.00: * HB3 LYS 85 + HD3 LYS 85 OK 100 100 - 100 - 3.6=98, 3.0/2641=18...(68) HB3 LYS 85 + HD2 LYS 85 OK 73 73 - 100 - 3.6=98, 3.0/2641=13...(69) HB2 LYS 48 + HD3 LYS 85 OK 55 100 - 55 - 2607/3.0=5, 2618/3.0=5...(24) HB3 LYS 76 + HD3 LYS 85 OK 49 94 - 52 - 2607/3.0=6, 2618/3.0=6...(28) HB3 LYS 48 + HD3 LYS 85 OK 47 89 - 53 - 2607/3.0=4, 2618/3.0=4...(27) HB3 LEU 126 - HD3 LYS 85 OK 40 98 - 41 - 4284=3, 4284/1.8=3...(26) HB2 LYS 48 - HD2 LYS 85 OK 39 72 - 54 - 2607/3.0=5, 2618/3.0=5...(23) HB3 LYS 76 - HD2 LYS 85 OK 33 65 - 52 - 2607/3.0=6, 2618/3.0=6...(27) HB3 LYS 48 - HD2 LYS 85 OK 31 59 - 52 - 2607/3.0=4, 2618/3.0=4...(26) HB3 LEU 126 - HD2 LYS 85 OK 28 69 - 41 - 4284=3, 4284/1.8=3...(26) HB2 LYS 36 - HD3 LYS 85 OK 15 89 - 17 - 1.8/677=2, 3.0/688=2...(8) HB2 ARG 144 - HD3 LYS 85 lone 10 96 - 10 - 2584/3.6=1, 2607/3.0=1 HB2 LYS 36 - HD2 LYS 85 poor 9 59 - 14 - ~677=2, 2618/3.0=1...(7) HB3 GLU 28 - HD3 LYS 85 lone 8 92 - 9 - 2618/3.0=1, 2607/3.0=1...(4) HG LEU 69 - HD3 LYS 85 lone 8 96 - 8 - 2584/3.6=2, 2618/3.0=2 HB2 ARG 144 - HD2 LYS 85 lone 6 67 - 9 - 2584/3.6=1, 2607/3.0=1 HB3 GLU 28 - HD2 LYS 85 lone 6 62 - 9 - 2618/3.0=1, 2607/3.0=1...(4) HG LEU 69 - HD2 LYS 85 lone 5 67 - 8 - 2584/3.6=2, 2618/3.0=2 Peak 2641 from aliabs.peaks (1.33, 1.57, 28.74 ppm; 3.20 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 85 + HD3 LYS 85 OK 100 100 - 100 - 3.0=100 HG2 LYS 85 + HD2 LYS 85 OK 73 73 - 100 - 3.0=100 HG12 ILE 83 - HD3 LYS 85 OK 16 72 - 23 - 2619/3.0=4, 2585/3.6=3...(11) QB ALA 60 - HD3 LYS 85 OK 10 99 - 10 - 2619/3.0=2, 2585/3.6=2 HG12 ILE 83 - HD2 LYS 85 OK 10 46 - 23 - 2619/3.0=4, 2585/3.6=3...(11) QB ALA 60 - HD2 LYS 85 poor 7 70 - 10 - 2619/3.0=2, 2585/3.6=2 Peak 2642 from aliabs.peaks (1.53, 1.57, 28.74 ppm; 2.50 A): 2 out of 18 assignments used, quality = 0.96: * HG3 LYS 85 + HD3 LYS 85 OK 89 100 - 89 - 3.0=61, 1.8/2641=14...(36) HG3 LYS 85 + HD2 LYS 85 OK 65 73 - 89 - 3.0=61, 1.8/2641=10...(37) HG2 LYS 93 - HD3 LYS 85 OK 35 81 - 43 - 2609/3.0=4, 2598/3.6=2...(12) HG3 LYS 76 - HD3 LYS 85 OK 25 99 - 25 - 2609/3.0=3, 2586/3.6=2...(6) HG2 LYS 93 - HD2 LYS 85 OK 22 53 - 42 - 2609/3.0=4, 2598/3.6=2...(12) HG3 LYS 76 - HD2 LYS 85 OK 17 70 - 25 - 2609/3.0=3, 2586/3.6=2...(6) HB2 LEU 29 - HD3 LYS 85 OK 11 98 - 12 - ~10042=2, 2609/3.0=1 HD2 LYS 76 - HD3 LYS 85 poor 10 62 - 16 - 2609/3.0=2, 2598/3.6=1...(4) HB2 LEU 29 - HD2 LYS 85 poor 8 69 - 12 - ~10042=2, 2609/3.0=1 HD2 LYS 76 - HD2 LYS 85 poor 6 39 - 15 - 2609/3.0=2, 2598/3.6=1 HG3 PRO 57 - HD3 LYS 85 lone 5 85 - 5 - HB2 GLU 122 - HD3 LYS 85 lone 3 100 - 3 - QB ALA 135 - HD3 LYS 85 lone 3 89 - 3 - HG3 PRO 57 - HD2 LYS 85 lone 3 56 - 5 - HB2 LYS 123 - HD3 LYS 85 lone 2 62 - 4 - HB2 GLU 122 - HD2 LYS 85 lone 2 73 - 3 - QB ALA 135 - HD2 LYS 85 lone 2 59 - 3 - HB2 LYS 123 - HD2 LYS 85 lone 2 39 - 4 - Peak 2643 from aliabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HD3 LYS 85 + HD3 LYS 85 OK 92 92 - 100 HD2 LYS 85 + HD2 LYS 85 OK 73 73 - 100 Reference assignment not found: HD2 LYS 85 - HD3 LYS 85 Peak 2644 from aliabs.peaks (1.57, 1.57, 28.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 85 + HD3 LYS 85 OK 100 100 - 100 HD2 LYS 85 + HD2 LYS 85 OK 62 62 - 100 Peak 2645 from aliabs.peaks (2.95, 1.57, 28.74 ppm; 3.16 A): 7 out of 22 assignments used, quality = 1.00: * HE2 LYS 85 + HD3 LYS 85 OK 100 100 - 100 - 2.9=100 HE3 LYS 85 + HD3 LYS 85 OK 98 98 - 100 - 2.9=100 HE2 LYS 85 + HD2 LYS 85 OK 73 73 - 100 - 2.9=100 HE3 LYS 85 + HD2 LYS 85 OK 69 69 - 100 - 2.9=100 HE2 LYS 93 + HD3 LYS 85 OK 61 100 - 61 - 2652/3.0=4, 2623/3.0=3...(38) HE3 LYS 93 + HD3 LYS 85 OK 54 89 - 61 - 2663/3.0=4, 2624/3.0=3...(40) HE2 LYS 48 + HD3 LYS 85 OK 45 100 - 45 - 2652/3.0=3, 2623/3.0=3...(22) HE3 LYS 48 - HD3 LYS 85 OK 43 100 - 44 - 2652/3.0=3, 2623/3.0=3...(23) HE2 LYS 93 - HD2 LYS 85 OK 43 73 - 60 - 2652/3.0=4, 2623/3.0=3...(37) HE3 LYS 93 - HD2 LYS 85 OK 35 59 - 60 - 2663/3.0=4, 2624/3.0=3...(39) HE2 LYS 48 - HD2 LYS 85 OK 32 73 - 45 - 2652/3.0=3, 2623/3.0=3...(20) HE3 LYS 48 - HD2 LYS 85 OK 31 73 - 43 - 2652/3.0=3, 2623/3.0=3...(21) HB2 PHE 106 - HD3 LYS 85 lone 8 100 - 8 - HB2 PHE 106 - HD2 LYS 85 lone 6 72 - 8 - HB3 PHE 67 - HD3 LYS 85 lone 5 100 - 5 - HB2 TYR 115 - HD3 LYS 85 lone 5 100 - 5 - HB3 PHE 67 - HD2 LYS 85 lone 4 72 - 5 - HB2 TYR 115 - HD2 LYS 85 lone 3 73 - 5 - HB2 TYR 119 - HD3 LYS 85 lone 2 77 - 3 - HB3 ASN 130 - HD3 LYS 85 lone 2 72 - 2 - HB2 TYR 119 - HD2 LYS 85 lone 1 49 - 3 - HB3 ASN 130 - HD2 LYS 85 lone 1 46 - 2 - Peak 2646 from aliabs.peaks (2.94, 1.57, 28.74 ppm; 2.79 A): 6 out of 22 assignments used, quality = 1.00: * HE3 LYS 85 + HD3 LYS 85 OK 95 100 - 95 - 2.9=86, 3.5/2641=10...(36) HE2 LYS 85 + HD3 LYS 85 OK 93 98 - 95 - 2.9=86, 3.5/2641=10...(38) HE3 LYS 85 + HD2 LYS 85 OK 69 73 - 94 - 2.9=86, 3.5/2641=7...(36) HE2 LYS 85 + HD2 LYS 85 OK 65 69 - 94 - 2.9=86, 3.5/2641=7...(38) HE3 LYS 93 + HD3 LYS 85 OK 50 99 - 51 - 2663/3.0=3, 2666=3...(27) HE2 LYS 93 + HD3 LYS 85 OK 48 96 - 50 - 2652/3.0=3, 2655=3...(26) HE3 LYS 93 - HD2 LYS 85 OK 35 70 - 50 - 2663/3.0=3, 2624/3.0=3...(28) HE3 LYS 48 - HD3 LYS 85 OK 35 100 - 35 - 2663/3.0=2, 2624/3.0=2...(17) HE2 LYS 48 - HD3 LYS 85 OK 34 94 - 36 - 2652/3.0=3, 2623/3.0=2...(19) HE2 LYS 93 - HD2 LYS 85 OK 32 67 - 49 - 2652/3.0=3, 2655=3...(26) HE3 LYS 48 - HD2 LYS 85 OK 25 72 - 34 - 2663/3.0=2, 2624/3.0=2...(17) HE2 LYS 48 - HD2 LYS 85 OK 23 65 - 35 - 2652/3.0=3, 2623/3.0=2...(19) HB2 PHE 106 - HD3 LYS 85 lone 5 92 - 6 - HB2 PHE 106 - HD2 LYS 85 lone 4 62 - 6 - HB3 PHE 67 - HD3 LYS 85 lone 3 92 - 4 - HB2 TYR 115 - HD3 LYS 85 lone 3 94 - 3 - HB3 PHE 67 - HD2 LYS 85 lone 2 62 - 4 - HB2 TYR 115 - HD2 LYS 85 lone 2 65 - 3 - HB2 TYR 119 - HD3 LYS 85 lone 2 94 - 2 - HB3 ASN 130 - HD3 LYS 85 lone 1 92 - 1 - HB2 TYR 119 - HD2 LYS 85 lone 1 65 - 2 - HB3 ASN 130 - HD2 LYS 85 lone 1 62 - 1 - Peak 2649 from aliabs.peaks (4.23, 2.95, 41.80 ppm; 3.62 A): 11 out of 30 assignments used, quality = 1.00: * HA LYS 85 + HE2 LYS 85 OK 90 100 - 90 - 2573/3.5=24, 5.8=24...(49) HA LYS 85 + HE3 LYS 85 OK 82 92 - 90 - 2573/3.5=24, 5.8=24...(50) HA LYS 93 + HE2 LYS 93 OK 81 91 - 88 - 5.9=23, 3015/3.8=13...(41) HA LYS 93 + HE2 LYS 48 OK 66 90 - 73 - 3.0/3091=6, 3016/3.0=5...(44) HA LYS 93 + HE2 LYS 85 OK 64 92 - 69 - 2605/3.5=8, 2616/3.5=7...(35) HA LYS 93 + HE3 LYS 48 OK 63 90 - 70 - 3.0/3091=5, 3016/3.0=5...(40) HA LYS 85 + HE2 LYS 93 OK 56 100 - 56 - 2571/3.0=5, 3079/3.0=5...(24) HA LYS 93 + HE3 LYS 85 OK 54 80 - 68 - 2605/3.5=8, 2616/3.5=7...(35) HA LYS 85 + HE2 LYS 48 OK 48 99 - 49 - 2577=4, 8186/3.6=4...(18) HA LYS 93 + HE3 LYS 93 OK 48 55 - 88 - 5.9=23, 3015/3.8=13...(41) HA LYS 85 + HE3 LYS 48 OK 48 99 - 48 - 2577=4, 8186/3.6=4...(18) HA LYS 85 - HE3 LYS 93 OK 37 65 - 57 - 2571/3.0=5, 3079/3.0=5...(25) HA ARG 141 - HE2 LYS 48 OK 25 93 - 27 - 10502/6.0=4, 4773/3.0=4...(6) HA ARG 141 - HE3 LYS 48 OK 24 93 - 26 - 10502/6.0=4, 4773/3.0=4...(6) HA ARG 141 - HE2 LYS 93 OK 21 94 - 22 - 4773/3.0=4, 4771/5.1=1...(7) HB THR 102 - HE2 LYS 85 OK 19 100 - 19 - 2605/3.5=3, 2616/3.5=3...(7) HB THR 102 - HE3 LYS 85 OK 17 91 - 19 - 2605/3.5=3, 2616/3.5=3...(7) HB THR 102 - HE2 LYS 93 OK 14 100 - 14 - 3068/3.0=2, 3057/3.8=1...(7) HA ARG 141 - HE3 LYS 93 OK 12 57 - 22 - 4773/3.0=4, 4771/5.1=1...(7) HA PHE 45 - HE2 LYS 48 OK 10 71 - 15 - 1019/7.0=3, 8186/3.6=2...(7) HA PHE 45 - HE3 LYS 48 OK 10 71 - 15 - 1019/7.0=3, 8186/3.6=2...(7) HB THR 102 - HE3 LYS 93 poor 9 65 - 13 - 3068/3.0=2, 3057/3.8=1...(7) HA ARG 141 - HE2 LYS 85 lone 7 94 - 7 - HA ARG 141 - HE3 LYS 85 lone 6 83 - 7 - HA PHE 45 - HE2 LYS 85 lone 5 72 - 6 - HB THR 102 - HE2 LYS 48 lone 5 99 - 5 - HB THR 102 - HE3 LYS 48 lone 4 99 - 4 - HA PHE 45 - HE2 LYS 93 lone 4 72 - 6 - HA PHE 45 - HE3 LYS 85 lone 4 61 - 6 - HA PHE 45 - HE3 LYS 93 lone 2 40 - 5 - Peak 2650 from aliabs.peaks (1.72, 2.95, 41.80 ppm; 2.94 A): 10 out of 48 assignments used, quality = 1.00: * HB2 LYS 85 + HE2 LYS 85 OK 85 100 - 85 - 4.8=22, 2639/2.9=7...(70) HB2 LYS 85 + HE3 LYS 85 OK 78 92 - 85 - 4.8=22, 2639/2.9=7...(68) HD2 LYS 93 + HE2 LYS 93 OK 76 77 - 99 - 3.0=97, 1.8/3086=8...(73) HB2 LYS 85 + HE2 LYS 93 OK 56 100 - 56 - 3.0/2652=4, 3.0/2623=3...(38) HD2 LYS 93 + HE2 LYS 85 OK 55 77 - 71 - 1.8/3086=5, 3075=5...(48) HD2 LYS 93 + HE2 LYS 48 OK 53 75 - 70 - 1.8/3086=5, 3075=5...(54) HD2 LYS 93 + HE3 LYS 48 OK 50 75 - 67 - 1.8/3086=5, 3075=5...(51) HB2 LYS 85 + HE2 LYS 48 OK 47 99 - 47 - 3.0/2652=3, 3.0/2623=2...(27) HD2 LYS 93 + HE3 LYS 85 OK 46 65 - 70 - 1.8/3086=5, 3075=5...(45) HB2 LYS 85 + HE3 LYS 48 OK 45 99 - 46 - 3.0/2652=3, 3.0/2623=2...(27) HD2 LYS 93 - HE3 LYS 93 OK 43 43 - 99 - 3.0=97, 1.8/3087=6...(71) HB2 LYS 85 - HE3 LYS 93 OK 38 65 - 58 - 3.0/2663=3, 3.0/2624=3...(39) HB3 GLU 81 - HE2 LYS 85 OK 33 92 - 36 - ~8780=3, 3.0/8770=3...(19) HB3 GLU 81 - HE3 LYS 85 OK 31 80 - 38 - ~8770=4, ~8780=3...(20) HB3 ARG 109 - HE2 LYS 85 OK 26 100 - 27 - 2606/3.5=3, 2617/3.5=3...(7) HB3 ARG 109 - HE3 LYS 85 OK 23 90 - 26 - 2606/3.5=3, 2617/3.5=3...(7) HG3 ARG 89 - HE2 LYS 93 OK 12 96 - 13 - 2886/3.0=2, 2886/3.0=2 HB ILE 58 - HE2 LYS 85 OK 10 72 - 14 - 2606/3.5=3, 2617/3.5=2...(7) HB3 ARG 144 - HE2 LYS 48 OK 10 80 - 13 - 4897/3.6=2, 4894/4.9=1 HB3 ARG 144 - HE3 LYS 48 OK 10 80 - 13 - 4897/3.6=2, 4894/4.9=1 HB ILE 58 - HE3 LYS 85 poor 9 61 - 14 - 2606/3.5=3, 2617/3.5=2...(7) HG3 ARG 89 - HE3 LYS 93 poor 7 59 - 13 - 2886/3.0=2, 2886/3.0=2 HD2 LYS 36 - HE2 LYS 48 poor 7 71 - 10 - 710/3.6=1 HD2 LYS 36 - HE3 LYS 48 lone 7 71 - 10 - 710/3.6=1 HB3 ARG 144 - HE2 LYS 85 lone 6 81 - 8 - HD2 LYS 36 - HE2 LYS 85 lone 6 72 - 8 - HB3 ARG 144 - HE3 LYS 85 lone 5 69 - 7 - HD2 LYS 36 - HE2 LYS 93 lone 5 72 - 6 - HD2 LYS 36 - HE3 LYS 85 lone 5 61 - 7 - HG3 ARG 89 - HE2 LYS 48 lone 4 95 - 4 - HG3 ARG 89 - HE3 LYS 48 lone 4 95 - 4 - HB3 ARG 109 - HE2 LYS 48 lone 3 99 - 3 - HB3 ARG 109 - HE2 LYS 93 lone 3 99 - 3 - HB3 ARG 109 - HE3 LYS 48 lone 3 99 - 3 - HD2 LYS 36 - HE3 LYS 93 lone 2 40 - 6 - HB3 GLU 81 - HE3 LYS 48 lone 2 90 - 2 - HB3 GLU 81 - HE2 LYS 48 lone 2 90 - 2 - HB3 ARG 109 - HE3 LYS 93 lone 2 64 - 3 - HB3 GLU 81 - HE2 LYS 93 lone 2 91 - 2 - HG3 ARG 89 - HE2 LYS 85 lone 2 96 - 2 - HG3 ARG 89 - HE3 LYS 85 lone 1 85 - 2 - HB3 ARG 144 - HE2 LYS 93 lone 1 81 - 2 - HB3 GLU 81 - HE3 LYS 93 lone 1 55 - 2 - HB ILE 58 - HE2 LYS 93 lone 1 72 - 2 - HB ILE 58 - HE2 LYS 48 lone 1 71 - 1 - HB ILE 58 - HE3 LYS 48 lone 1 71 - 1 - HB3 ARG 144 - HE3 LYS 93 lone 1 46 - 2 - HB ILE 58 - HE3 LYS 93 lone 1 40 - 2 - Peak 2651 from aliabs.peaks (1.86, 2.95, 41.80 ppm; 3.10 A): 14 out of 54 assignments used, quality = 1.00: * HB3 LYS 85 + HE2 LYS 85 OK 89 100 - 89 - 4.8=26, 1.8/2650=7...(71) HB2 LYS 48 + HE3 LYS 48 OK 84 99 - 85 - 4.9=26, 1153/3.6=7...(75) HB2 LYS 48 + HE2 LYS 48 OK 84 99 - 85 - 4.9=26, 1153/3.6=7...(75) HB3 LYS 85 + HE3 LYS 85 OK 82 92 - 89 - 4.8=26, 2600/2.9=7...(71) HB3 LYS 48 + HE3 LYS 48 OK 74 87 - 85 - 4.9=26, 1174/3.6=6...(74) HB3 LYS 48 + HE2 LYS 48 OK 74 87 - 85 - 4.9=26, 1174/3.6=6...(74) HB2 LYS 48 + HE2 LYS 93 OK 66 99 - 66 - 2.9/1191=4, 2.9/1180=4...(56) HB3 LYS 85 + HE2 LYS 93 OK 60 100 - 60 - 1.8/2650=4, 3.0/2652=4...(44) HB3 LYS 48 + HE2 LYS 93 OK 56 88 - 64 - 2.9/1191=4, 2.9/1180=4...(53) HB2 LYS 48 + HE2 LYS 85 OK 52 100 - 53 - 2607/3.5=3, 2618/3.5=3...(29) HB3 LYS 85 + HE2 LYS 48 OK 50 99 - 51 - 1.8/2650=4, 3.0/2652=3...(32) HB3 LYS 85 + HE3 LYS 48 OK 48 99 - 48 - 1.8/2650=3, 3.0/2652=3...(32) HB2 LYS 48 + HE3 LYS 85 OK 47 90 - 52 - 2607/3.5=3, 2618/3.5=3...(35) HB3 LYS 48 + HE2 LYS 85 OK 46 89 - 52 - 2.9/1180=3, 2.9/1191=3...(35) HB2 LYS 48 - HE3 LYS 93 OK 43 64 - 68 - 2.9/1191=3, 2.9/1180=3...(60) HB3 LYS 48 - HE3 LYS 85 OK 39 77 - 51 - 2.9/1191=3, 2.9/1180=3...(38) HB3 LYS 85 - HE3 LYS 93 OK 39 65 - 60 - 1.8/2661=4, 3.0/2663=4...(43) HB3 LYS 76 - HE2 LYS 85 OK 38 94 - 41 - 2607/3.5=4, 2618/3.5=4...(15) HB3 LYS 48 - HE3 LYS 93 OK 34 52 - 66 - 2.9/1191=3, 2.9/1180=3...(57) HB3 LYS 76 - HE3 LYS 85 OK 34 83 - 41 - 2607/3.5=4, 2618/3.5=4...(17) HB3 LEU 126 - HE2 LYS 85 OK 23 98 - 24 - 2607/3.5=2, 2618/3.5=2...(6) HB3 LYS 76 - HE2 LYS 93 OK 21 94 - 23 - 2268/3.8=2, 2595/3.0=1...(7) HB3 LEU 126 - HE3 LYS 85 OK 20 87 - 23 - 2607/3.5=2, 2618/3.5=2...(5) HB3 LEU 126 - HE2 LYS 93 OK 16 98 - 17 - 3080/3.0=3, 3069/3.0=2...(7) HB2 LYS 36 - HE2 LYS 48 OK 15 87 - 17 - 1174/3.6=3, 1185/3.6=3 HB3 GLU 28 - HE2 LYS 93 OK 15 91 - 16 - ~8049=5, 3.0/8049=2...(5) HB2 LYS 36 - HE3 LYS 48 OK 15 87 - 17 - 1174/3.6=3, 1185/3.6=3 HB3 LYS 76 - HE3 LYS 93 OK 13 57 - 23 - 2268/3.8=2, 2595/3.0=1...(5) HB2 ARG 144 - HE2 LYS 48 OK 12 95 - 13 - 4888/3.6=3, 1174/3.6=2 HB2 ARG 144 - HE3 LYS 48 OK 12 95 - 13 - 4888/3.6=3, 1174/3.6=2 HB3 LYS 76 - HE2 LYS 48 OK 11 93 - 12 - 2264/3.6=1 HB3 LYS 76 - HE3 LYS 48 OK 11 93 - 12 - 2264/3.6=1 HB2 LYS 36 - HE2 LYS 85 OK 10 89 - 11 - HB3 LEU 126 - HE3 LYS 93 OK 10 61 - 17 - 3080/3.0=3, 3069/3.0=2...(7) HB3 GLU 28 - HE2 LYS 85 poor 9 92 - 10 - 3.0/8049=1, ~8050=1 HB2 LYS 36 - HE2 LYS 93 lone 8 88 - 9 - HB2 LYS 36 - HE3 LYS 85 poor 8 77 - 11 - HB3 GLU 28 - HE3 LYS 85 poor 8 80 - 10 - 3.0/8049=1, 3.0/8050=1 HB3 LEU 126 - HE2 LYS 48 lone 7 96 - 7 - HB3 GLU 28 - HE3 LYS 93 poor 7 55 - 13 - 3.0/8049=2, 3.0/8050=2...(5) HB3 GLU 28 - HE2 LYS 48 lone 7 90 - 8 - 3.0/8049=2, ~8049=1 HB2 ARG 144 - HE2 LYS 85 lone 7 96 - 7 - HB3 LEU 126 - HE3 LYS 48 lone 7 96 - 7 - HB3 GLU 28 - HE3 LYS 48 lone 7 90 - 7 - 3.0/8049=2, ~8049=1 HB2 ARG 144 - HE3 LYS 85 lone 6 85 - 7 - HG LEU 69 - HE2 LYS 85 lone 5 96 - 6 - HG LEU 69 - HE3 LYS 85 lone 5 85 - 5 - HG LEU 69 - HE2 LYS 93 lone 4 96 - 5 - HB2 LYS 36 - HE3 LYS 93 lone 4 52 - 8 - HG LEU 69 - HE2 LYS 48 lone 3 95 - 4 - HG LEU 69 - HE3 LYS 48 lone 3 95 - 4 - HG LEU 69 - HE3 LYS 93 lone 3 59 - 4 - HB2 ARG 144 - HE2 LYS 93 lone 2 96 - 2 - HB2 ARG 144 - HE3 LYS 93 lone 1 59 - 2 - Peak 2652 from aliabs.peaks (1.33, 2.95, 41.80 ppm; 3.02 A): 5 out of 18 assignments used, quality = 1.00: * HG2 LYS 85 + HE2 LYS 85 OK 94 100 - 94 - 3.5=66, 2641/2.9=14...(69) HG2 LYS 85 + HE3 LYS 85 OK 87 92 - 94 - 3.5=66, 2641/2.9=14...(68) HG2 LYS 85 + HE2 LYS 93 OK 65 100 - 65 - 2612=5, 2613/1.8=4...(30) HG2 LYS 85 + HE2 LYS 48 OK 52 99 - 52 - 2612=4, 2612/1.8=3...(19) HG2 LYS 85 + HE3 LYS 48 OK 50 99 - 50 - 2612=4, 2612/1.8=3...(19) HG2 LYS 85 - HE3 LYS 93 OK 43 65 - 66 - 2613=5, 2612/1.8=4...(32) HG12 ILE 83 - HE2 LYS 85 OK 13 72 - 18 - 2619/3.5=3, 2585/4.8=2...(8) HG12 ILE 83 - HE3 LYS 85 OK 11 61 - 18 - 2619/3.5=3, 2585/4.8=2...(8) QB ALA 60 - HE2 LYS 85 lone 9 99 - 9 - 2619/3.5=2, 2585/4.8=1...(4) QB ALA 60 - HE3 LYS 85 lone 8 89 - 9 - 2619/3.5=2, 2585/4.8=1...(4) QB ALA 60 - HE2 LYS 48 lone 4 98 - 4 - 8325/3.6=1 QB ALA 60 - HE3 LYS 48 lone 4 98 - 4 - 8325/3.6=1 HG12 ILE 83 - HE2 LYS 93 lone 3 72 - 4 - QB ALA 60 - HE2 LYS 93 lone 2 99 - 2 - HG12 ILE 83 - HE3 LYS 93 lone 2 40 - 4 - QB ALA 60 - HE3 LYS 93 lone 1 63 - 2 - HG12 ILE 83 - HE3 LYS 48 lone 1 71 - 2 - HG12 ILE 83 - HE2 LYS 48 lone 1 71 - 2 - Peak 2653 from aliabs.peaks (1.53, 2.95, 41.80 ppm; 2.56 A): 6 out of 54 assignments used, quality = 1.00: * HG3 LYS 85 + HE2 LYS 85 OK 81 100 - 81 - 3.5=40, 2622/2.9=7...(41) HG3 LYS 85 + HE3 LYS 85 OK 74 92 - 81 - 3.5=40, 2622/2.9=7...(41) HG2 LYS 93 + HE2 LYS 93 OK 64 81 - 79 - 3.8=31, 3051/3.0=5...(50) HG3 LYS 85 + HE2 LYS 93 OK 51 100 - 51 - 1.8/2652=4, 2623=3...(23) HG2 LYS 93 + HE2 LYS 48 OK 48 80 - 61 - 1.8/3064=3, 2.9/3091=3...(39) HG2 LYS 93 + HE2 LYS 85 OK 48 81 - 59 - 2609/3.5=3, 1.8/3064=3...(35) HG2 LYS 93 - HE3 LYS 48 OK 45 80 - 56 - 1.8/3065=3, 2.9/3091=3...(33) HG3 LYS 85 - HE2 LYS 48 OK 40 99 - 41 - 1.8/2652=3, 2623=2...(17) HG2 LYS 93 - HE3 LYS 85 OK 40 69 - 58 - 1.8/3065=3, 2609/3.5=3...(33) HG3 LYS 85 - HE3 LYS 48 OK 40 99 - 40 - 1.8/2652=3, 2623=2...(17) HG2 LYS 93 - HE3 LYS 93 OK 36 46 - 78 - 3.8=31, 3051/3.0=5...(48) HG3 LYS 85 - HE3 LYS 93 OK 34 65 - 53 - 1.8/2663=4, 2617/3.0=3...(23) HG3 LYS 76 - HE2 LYS 85 OK 27 99 - 28 - 2609/3.5=3, 2631/2.9=2...(9) HG3 LYS 76 - HE3 LYS 85 OK 24 89 - 27 - 2609/3.5=3, 2631/2.9=2...(8) HG3 LYS 76 - HE2 LYS 93 OK 18 99 - 18 - 3071/3.0=2, 3052/3.0=2...(5) HG3 LYS 76 - HE3 LYS 93 OK 11 63 - 18 - 3071/3.0=2, 3052/3.0=2...(5) HB2 LEU 29 - HE2 LYS 85 OK 11 98 - 11 - ~10042=2, 2609/3.5=1 HD2 LYS 76 - HE2 LYS 85 OK 10 62 - 17 - 2609/3.5=1 HB2 LEU 29 - HE3 LYS 85 poor 10 87 - 11 - ~10042=2, 2609/3.5=1 HD2 LYS 76 - HE2 LYS 93 poor 9 62 - 15 - 3071/3.0=2, 3082/3.0=2 HD2 LYS 76 - HE3 LYS 85 poor 8 52 - 16 - 2609/3.5=1 HG3 PRO 57 - HE2 LYS 93 lone 7 85 - 9 - 1538/3.0=1 HG3 LYS 76 - HE2 LYS 48 lone 7 98 - 7 - HG3 LYS 76 - HE3 LYS 48 lone 7 98 - 7 - HG3 PRO 57 - HE2 LYS 85 lone 5 85 - 5 - HD2 LYS 76 - HE3 LYS 93 poor 5 34 - 14 - 3071/3.0=2, 3082/3.0=2 HG3 PRO 57 - HE3 LYS 93 lone 4 49 - 9 - 1538/3.0=1 HG3 PRO 57 - HE3 LYS 85 lone 4 73 - 5 - QB ALA 135 - HE2 LYS 85 lone 4 89 - 4 - HB2 LEU 29 - HE2 LYS 93 lone 3 98 - 3 - QB ALA 135 - HE2 LYS 93 lone 3 88 - 4 - 4.0/10324=1 HB2 GLU 122 - HE2 LYS 85 lone 3 100 - 3 - QB ALA 135 - HE3 LYS 85 lone 3 77 - 4 - HB2 GLU 122 - HE3 LYS 85 lone 3 92 - 3 - HD2 LYS 76 - HE2 LYS 48 lone 3 61 - 4 - HD2 LYS 76 - HE3 LYS 48 lone 3 61 - 4 - HB2 LYS 123 - HE2 LYS 85 lone 3 62 - 4 - QB ALA 135 - HE2 LYS 48 lone 2 87 - 2 - 4.0/10324=1 QB ALA 135 - HE3 LYS 48 lone 2 87 - 2 - 4.0/10324=1 HB2 LYS 123 - HE3 LYS 85 lone 2 52 - 4 - HB2 LEU 29 - HE3 LYS 93 lone 2 61 - 3 - HB2 LEU 29 - HE3 LYS 48 lone 2 96 - 2 - HB2 LEU 29 - HE2 LYS 48 lone 2 96 - 2 - QB ALA 135 - HE3 LYS 93 lone 2 52 - 3 - HB2 LYS 123 - HE2 LYS 48 lone 2 61 - 3 - HB2 LYS 123 - HE3 LYS 48 lone 2 61 - 2 - HG3 PRO 57 - HE2 LYS 48 lone 1 83 - 1 - HG3 PRO 57 - HE3 LYS 48 lone 1 83 - 1 - HB2 GLU 122 - HE2 LYS 93 lone 1 100 - 1 - HB2 LYS 123 - HE2 LYS 93 lone 1 62 - 1 - HB2 GLU 122 - HE3 LYS 93 lone 1 65 - 1 - HB2 GLU 122 - HE3 LYS 48 lone 1 99 - 1 - HB2 GLU 122 - HE2 LYS 48 lone 1 99 - 1 - HB2 LYS 123 - HE3 LYS 93 lone 0 34 - 1 - Peak 2654 from aliabs.peaks (1.57, 2.95, 41.80 ppm; 2.50 A): 4 out of 60 assignments used, quality = 1.00: * HD2 LYS 85 + HE2 LYS 85 OK 82 100 - 82 - 2.9=61, 2630/3.5=7...(32) HD2 LYS 85 + HE3 LYS 85 OK 75 92 - 82 - 2.9=61, 2630/3.5=7...(32) HD3 LYS 85 + HE2 LYS 85 OK 75 92 - 81 - 2.9=61, 2641/3.5=6...(32) HD3 LYS 85 + HE3 LYS 85 OK 65 80 - 81 - 2.9=61, 2641/3.5=6...(32) HD2 LYS 85 - HE2 LYS 93 OK 43 100 - 43 - 2634=3, 3.0/2652=3...(18) HD3 LYS 85 - HE2 LYS 93 OK 39 91 - 42 - 2645=3, 3.0/2652=3...(17) HD2 LYS 85 - HE2 LYS 48 OK 30 99 - 30 - 2634=2, 3.0/2652=2...(7) HD2 LYS 85 - HE3 LYS 48 OK 29 99 - 30 - 2634=2, 3.0/2652=2...(7) HD2 LYS 85 - HE3 LYS 93 OK 28 65 - 43 - 2635=3, 3.0/2663=2...(20) HD3 LYS 85 - HE2 LYS 48 OK 27 90 - 30 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 48 OK 26 90 - 29 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 93 OK 23 55 - 43 - 2646=3, 3.0/2663=2...(20) HG2 ARG 109 - HE2 LYS 85 OK 21 99 - 22 - 2610/3.5=2, 2621/3.5=2 HG2 ARG 109 - HE3 LYS 85 OK 19 89 - 22 - 2610/3.5=2, 2621/3.5=2 HG3 ARG 109 - HE2 LYS 85 OK 16 77 - 21 - 2611/3.5=2, 2622/3.5=2 HG3 ARG 109 - HE3 LYS 85 OK 14 65 - 21 - 2611/3.5=2, 2622/3.5=2 HB2 LEU 126 - HE2 LYS 85 OK 13 100 - 13 - HB2 LEU 126 - HE3 LYS 85 OK 12 91 - 13 - HG3 ARG 145 - HE2 LYS 85 lone 7 100 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 7 100 - 7 - HG3 ARG 145 - HE3 LYS 85 lone 7 92 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 7 92 - 7 - HB2 LEU 126 - HE2 LYS 93 lone 7 100 - 6 - 4277/5.1=2 HB2 LEU 66 - HE2 LYS 85 lone 5 62 - 8 - 3.1/9860=1 HB2 LEU 126 - HE3 LYS 93 lone 4 65 - 7 - 4277/5.1=2 HB2 LEU 126 - HE2 LYS 48 lone 4 99 - 4 - HB2 LEU 66 - HE3 LYS 85 lone 4 52 - 7 - HB2 LEU 126 - HE3 LYS 48 lone 4 99 - 4 - HB2 LEU 66 - HE2 LYS 48 lone 2 61 - 4 - HB2 LEU 66 - HE3 LYS 48 lone 2 61 - 4 - HG2 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HG3 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HG2 ARG 145 - HE3 LYS 48 lone 2 99 - 1 - HG3 ARG 145 - HE3 LYS 48 lone 2 99 - 1 - HG2 ARG 109 - HE2 LYS 93 lone 1 99 - 1 - HB2 LEU 66 - HE2 LYS 93 lone 1 62 - 2 - HG3 ARG 145 - HE2 LYS 93 lone 1 100 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 100 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 98 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 98 - 1 - HG3 ARG 109 - HE2 LYS 93 lone 1 77 - 2 - HG3 ARG 109 - HE2 LYS 48 lone 1 75 - 1 - HG3 ARG 109 - HE3 LYS 48 lone 1 75 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 63 - 1 - HG3 ARG 145 - HE3 LYS 93 lone 1 65 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 65 - 1 - HB2 LEU 66 - HE3 LYS 93 lone 1 34 - 2 - HG2 ARG 55 - HE2 LYS 85 lone 1 94 - 1 - HG3 ARG 55 - HE2 LYS 85 lone 1 89 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 1 43 - 1 - HG2 ARG 55 - HE3 LYS 85 lone 1 83 - 1 - HG3 ARG 55 - HE3 LYS 85 lone 1 77 - 1 - HG2 ARG 55 - HE3 LYS 48 lone 0 93 - 0 - HG2 ARG 55 - HE2 LYS 93 lone 0 94 - 0 - HG2 ARG 55 - HE2 LYS 48 lone 0 93 - 0 - HG3 ARG 55 - HE3 LYS 48 lone 0 87 - 0 - HG3 ARG 55 - HE2 LYS 93 lone 0 88 - 0 - HG3 ARG 55 - HE2 LYS 48 lone 0 87 - 0 - HG2 ARG 55 - HE3 LYS 93 lone 0 57 - 0 - HG3 ARG 55 - HE3 LYS 93 lone 0 52 - 0 - Peak 2655 from aliabs.peaks (1.57, 2.95, 41.80 ppm; 2.50 A): 4 out of 66 assignments used, quality = 1.00: * HD3 LYS 85 + HE2 LYS 85 OK 82 100 - 82 - 2.9=61, 2641/3.5=7...(32) HD3 LYS 85 + HE3 LYS 85 OK 75 92 - 82 - 2.9=61, 2641/3.5=7...(32) HD2 LYS 85 + HE2 LYS 85 OK 75 92 - 81 - 2.9=61, 2630/3.5=6...(32) HD2 LYS 85 + HE3 LYS 85 OK 65 80 - 81 - 2.9=61, 2630/3.5=6...(32) HD3 LYS 85 - HE2 LYS 93 OK 43 100 - 43 - 2645=3, 3.0/2652=3...(17) HD2 LYS 85 - HE2 LYS 93 OK 39 91 - 42 - 3.0/2652=3, 2634=3...(18) HD3 LYS 85 - HE2 LYS 48 OK 30 99 - 31 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 48 OK 29 99 - 30 - 2645=2, 3.0/2652=2...(7) HD3 LYS 85 - HE3 LYS 93 OK 28 65 - 43 - 2646=3, 3.0/2663=2...(20) HD2 LYS 85 - HE2 LYS 48 OK 27 90 - 30 - 3.0/2652=2, 2634=2...(7) HD2 LYS 85 - HE3 LYS 48 OK 26 90 - 29 - 3.0/2652=2, 2634=2...(7) HD2 LYS 85 - HE3 LYS 93 OK 23 55 - 42 - 2635=2, 3.0/2663=2...(20) HG3 ARG 109 - HE2 LYS 85 OK 23 99 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HG3 ARG 109 - HE3 LYS 85 OK 20 89 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HG2 ARG 109 - HE2 LYS 85 OK 16 77 - 21 - 2610/3.5=2, 2621/3.5=2 HG2 ARG 109 - HE3 LYS 85 OK 13 65 - 21 - 2610/3.5=2, 2621/3.5=2 HB2 LEU 126 - HE2 LYS 85 OK 12 96 - 13 - HG3 LYS 36 - HE2 LYS 48 OK 11 87 - 13 - 1177/3.6=1, 696/4.9=1 HB2 LEU 126 - HE3 LYS 85 OK 11 85 - 13 - HG3 LYS 36 - HE3 LYS 48 OK 10 87 - 12 - 1177/3.6=1, 696/4.9=1 HB2 LEU 66 - HE2 LYS 85 lone 7 94 - 8 - 3.1/9860=1 HG3 LYS 36 - HE2 LYS 85 lone 7 89 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 6 92 - 7 - HG3 ARG 145 - HE2 LYS 85 lone 6 92 - 7 - HB2 LEU 66 - HE3 LYS 85 lone 6 83 - 8 - HB2 LEU 126 - HE2 LYS 93 lone 6 96 - 6 - 4277/5.1=2 HG3 LYS 36 - HE2 LYS 93 lone 6 88 - 7 - HG3 LYS 36 - HE3 LYS 85 lone 6 77 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 6 80 - 7 - HG3 ARG 145 - HE3 LYS 85 lone 6 80 - 7 - HB2 LEU 66 - HE2 LYS 48 lone 4 93 - 4 - HB2 LEU 66 - HE3 LYS 48 lone 4 93 - 4 - HB2 LEU 126 - HE3 LYS 93 lone 4 59 - 6 - 4277/5.1=2 HB2 LEU 126 - HE2 LYS 48 lone 4 95 - 4 - HG3 LYS 36 - HE3 LYS 93 lone 4 52 - 7 - HB2 LEU 126 - HE3 LYS 48 lone 3 95 - 4 - HB2 LEU 66 - HE2 LYS 93 lone 2 94 - 3 - HG3 ARG 109 - HE2 LYS 48 lone 2 98 - 2 - HG3 ARG 109 - HE3 LYS 48 lone 2 98 - 2 - HG3 ARG 124 - HE2 LYS 85 lone 2 89 - 2 - HG3 ARG 109 - HE2 LYS 93 lone 2 99 - 2 - HG3 ARG 124 - HE2 LYS 48 lone 2 87 - 2 - HG3 ARG 124 - HE3 LYS 85 lone 2 77 - 2 - HG3 ARG 124 - HE3 LYS 48 lone 2 87 - 2 - HG3 ARG 124 - HE2 LYS 93 lone 1 88 - 2 - HG3 ARG 145 - HE2 LYS 48 lone 1 90 - 1 - HG2 ARG 145 - HE2 LYS 48 lone 1 90 - 1 - HG3 ARG 145 - HE3 LYS 48 lone 1 90 - 1 - HG2 ARG 145 - HE3 LYS 48 lone 1 90 - 1 - HB2 LEU 66 - HE3 LYS 93 lone 1 57 - 2 - HG3 ARG 145 - HE2 LYS 93 lone 1 91 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 91 - 1 - HG3 ARG 109 - HE3 LYS 93 lone 1 63 - 2 - HG2 ARG 109 - HE2 LYS 93 lone 1 77 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 75 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 75 - 1 - HG3 ARG 124 - HE3 LYS 93 lone 1 52 - 2 - HG3 ARG 145 - HE3 LYS 93 lone 1 55 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 55 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 43 - 1 - HG2 ARG 55 - HE2 LYS 85 lone 0 62 - 1 - HG2 ARG 55 - HE3 LYS 85 lone 0 52 - 1 - HG2 ARG 55 - HE3 LYS 48 lone 0 61 - 0 - HG2 ARG 55 - HE2 LYS 93 lone 0 62 - 0 - HG2 ARG 55 - HE2 LYS 48 lone 0 61 - 0 - HG2 ARG 55 - HE3 LYS 93 lone 0 34 - 0 - Peak 2656 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 85 + HE2 LYS 85 OK 100 100 - 100 HE2 LYS 93 + HE2 LYS 93 OK 100 100 - 100 HE2 LYS 48 + HE2 LYS 48 OK 99 99 - 100 HE3 LYS 48 + HE3 LYS 48 OK 99 99 - 100 HE3 LYS 85 + HE3 LYS 85 OK 87 87 - 100 HE3 LYS 93 + HE3 LYS 93 OK 52 52 - 100 Peak 2657 from aliabs.peaks (2.94, 2.95, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 48 + HE3 LYS 48 OK 99 99 - 100 HE2 LYS 85 + HE2 LYS 85 OK 98 98 - 100 HE2 LYS 93 + HE2 LYS 93 OK 96 96 - 100 HE2 LYS 48 + HE2 LYS 48 OK 93 93 - 100 HE3 LYS 85 + HE3 LYS 85 OK 92 92 - 100 HE3 LYS 93 + HE3 LYS 93 OK 63 63 - 100 Reference assignment not found: HE3 LYS 85 - HE2 LYS 85 Peak 2660 from aliabs.peaks (4.23, 2.94, 41.80 ppm; 3.73 A): 11 out of 30 assignments used, quality = 1.00: * HA LYS 85 + HE3 LYS 85 OK 91 100 - 91 - 5.8=26, 2573/3.5=26...(52) HA LYS 85 + HE2 LYS 85 OK 84 92 - 91 - 5.8=26, 2573/3.5=26...(50) HA LYS 93 + HE3 LYS 93 OK 76 84 - 90 - 5.9=25, 3015/3.8=14...(41) HA LYS 93 + HE2 LYS 93 OK 67 75 - 90 - 5.9=25, 3015/3.8=14...(41) HA LYS 93 + HE3 LYS 85 OK 66 92 - 72 - 2605/3.5=8, 2616/3.5=8...(36) HA LYS 93 + HE3 LYS 48 OK 64 88 - 72 - 3.0/3102=6, 3019=5...(40) HA LYS 85 + HE3 LYS 93 OK 58 96 - 60 - 2571/3.0=6, 3079/3.0=5...(25) HA LYS 93 + HE2 LYS 85 OK 57 80 - 71 - 2605/3.5=8, 2616/3.5=8...(36) HA LYS 93 + HE2 LYS 48 OK 51 69 - 75 - 3016/3.0=5, 3018=5...(44) HA LYS 85 + HE2 LYS 93 OK 50 87 - 58 - 2571/3.0=6, 3079/3.0=5...(24) HA LYS 85 + HE3 LYS 48 OK 49 98 - 50 - 2578=4, 8186/3.6=4...(21) HA LYS 85 - HE2 LYS 48 OK 41 81 - 51 - 2577=4, 8186/3.6=4...(21) HA ARG 141 - HE3 LYS 48 OK 25 90 - 27 - 10502/6.0=4, 4773/3.0=4...(6) HA ARG 141 - HE3 LYS 93 OK 21 87 - 24 - 4773/3.0=4, 4771/5.1=2...(7) HB THR 102 - HE3 LYS 85 OK 20 100 - 20 - 2605/3.5=3, 2616/3.5=3...(7) HA ARG 141 - HE2 LYS 48 OK 20 71 - 28 - 10502/6.0=4, 4773/3.0=4...(6) HB THR 102 - HE2 LYS 85 OK 19 91 - 21 - 2605/3.5=3, 2616/3.5=3...(7) HA ARG 141 - HE2 LYS 93 OK 18 78 - 23 - 4773/3.0=4, 4771/5.1=2...(7) HB THR 102 - HE3 LYS 93 OK 14 95 - 14 - 3068/3.0=2, 3057/3.8=2...(7) HB THR 102 - HE2 LYS 93 OK 13 86 - 15 - 3068/3.0=2, 3057/3.8=2...(7) HA PHE 45 - HE3 LYS 48 OK 11 68 - 16 - 1019/7.0=3, 8186/3.6=3...(7) HA PHE 45 - HE2 LYS 48 poor 8 51 - 16 - 1019/7.0=3, 8186/3.6=3...(7) HA ARG 141 - HE3 LYS 85 lone 7 94 - 8 - HA ARG 141 - HE2 LYS 85 lone 6 83 - 7 - HA PHE 45 - HE3 LYS 85 lone 5 72 - 7 - HB THR 102 - HE3 LYS 48 lone 5 98 - 5 - HA PHE 45 - HE2 LYS 85 lone 4 61 - 7 - HA PHE 45 - HE3 LYS 93 lone 4 65 - 6 - HB THR 102 - HE2 LYS 48 lone 4 80 - 5 - HA PHE 45 - HE2 LYS 93 lone 3 56 - 6 - Peak 2661 from aliabs.peaks (1.72, 2.94, 41.80 ppm; 2.98 A): 10 out of 48 assignments used, quality = 1.00: * HB2 LYS 85 + HE3 LYS 85 OK 87 100 - 87 - 4.8=23, 2639/2.9=8...(71) HB2 LYS 85 + HE2 LYS 85 OK 79 92 - 86 - 4.8=23, 2639/2.9=8...(73) HD2 LYS 93 + HE3 LYS 93 OK 70 70 - 100 - 3.0=100 HD2 LYS 93 + HE2 LYS 93 OK 61 61 - 100 - 3.0=100 HB2 LYS 85 + HE3 LYS 93 OK 57 96 - 60 - 3.0/2663=4, 3.0/2624=3...(39) HD2 LYS 93 + HE3 LYS 85 OK 56 77 - 72 - 1.8/3087=5, 3076=5...(46) HD2 LYS 93 + HE3 LYS 48 OK 50 73 - 68 - 1.8/3087=5, 3076=5...(52) HB2 LYS 85 + HE2 LYS 93 OK 50 87 - 57 - 3.0/2652=3, 3.0/2623=3...(39) HD2 LYS 93 + HE2 LYS 85 OK 47 65 - 72 - 1.8/3086=5, 3075=5...(49) HB2 LYS 85 + HE3 LYS 48 OK 46 98 - 47 - 3.0/2663=3, 3.0/2624=2...(28) HD2 LYS 93 - HE2 LYS 48 OK 39 55 - 71 - 1.8/3086=5, 3075=5...(55) HB2 LYS 85 - HE2 LYS 48 OK 39 81 - 48 - 3.0/2652=3, 3.0/2623=2...(28) HB3 GLU 81 - HE3 LYS 85 OK 36 92 - 39 - ~8770=4, ~8780=4...(20) HB3 GLU 81 - HE2 LYS 85 OK 29 80 - 37 - ~8780=4, ~8786=3...(19) HB3 ARG 109 - HE3 LYS 85 OK 27 100 - 27 - 2606/3.5=3, 2617/3.5=3...(8) HB3 ARG 109 - HE2 LYS 85 OK 25 90 - 27 - 2606/3.5=3, 2617/3.5=3...(8) HG3 ARG 89 - HE3 LYS 93 OK 12 90 - 13 - 2886/3.0=2, 2886/3.0=2 HB ILE 58 - HE3 LYS 85 OK 11 72 - 15 - 2606/3.5=3, 2617/3.5=2...(7) HG3 ARG 89 - HE2 LYS 93 OK 11 80 - 13 - 2886/3.0=2, 2886/3.0=2 HB3 ARG 144 - HE3 LYS 48 poor 10 77 - 13 - 4897/3.6=2, 4894/4.9=1 HB ILE 58 - HE2 LYS 85 poor 9 61 - 15 - 2606/3.5=3, 2617/3.5=2...(8) HB3 ARG 144 - HE2 LYS 48 poor 8 59 - 13 - 4897/3.6=2, 4894/4.9=1 HD2 LYS 36 - HE3 LYS 48 lone 7 68 - 10 - 710/3.6=1 HB3 ARG 144 - HE3 LYS 85 lone 6 81 - 8 - HD2 LYS 36 - HE3 LYS 85 lone 6 72 - 8 - HB3 ARG 144 - HE2 LYS 85 lone 5 69 - 8 - HD2 LYS 36 - HE2 LYS 48 poor 5 51 - 10 - 710/3.6=1 HD2 LYS 36 - HE2 LYS 85 lone 5 61 - 8 - HG3 ARG 89 - HE3 LYS 48 lone 4 93 - 4 - HD2 LYS 36 - HE3 LYS 93 lone 4 65 - 6 - HD2 LYS 36 - HE2 LYS 93 lone 4 56 - 6 - HG3 ARG 89 - HE2 LYS 48 lone 3 74 - 4 - HB3 ARG 109 - HE3 LYS 48 lone 3 97 - 3 - HB3 ARG 109 - HE3 LYS 93 lone 3 94 - 3 - HB3 ARG 109 - HE2 LYS 93 lone 3 85 - 3 - HB3 ARG 109 - HE2 LYS 48 lone 2 79 - 3 - HB3 GLU 81 - HE3 LYS 93 lone 2 84 - 2 - HB3 GLU 81 - HE3 LYS 48 lone 2 88 - 2 - HG3 ARG 89 - HE3 LYS 85 lone 2 96 - 2 - HG3 ARG 89 - HE2 LYS 85 lone 2 85 - 2 - HB3 GLU 81 - HE2 LYS 48 lone 1 69 - 2 - HB3 GLU 81 - HE2 LYS 93 lone 1 75 - 2 - HB3 ARG 144 - HE3 LYS 93 lone 1 74 - 2 - HB ILE 58 - HE3 LYS 93 lone 1 65 - 2 - HB3 ARG 144 - HE2 LYS 93 lone 1 64 - 2 - HB ILE 58 - HE3 LYS 48 lone 1 68 - 1 - HB ILE 58 - HE2 LYS 93 lone 1 56 - 2 - HB ILE 58 - HE2 LYS 48 lone 1 51 - 1 - Peak 2662 from aliabs.peaks (1.86, 2.94, 41.80 ppm; 3.28 A): 16 out of 54 assignments used, quality = 1.00: * HB3 LYS 85 + HE3 LYS 85 OK 93 100 - 93 - 4.8=31, 2600/2.9=8...(74) HB2 LYS 48 + HE3 LYS 48 OK 87 97 - 89 - 4.9=30, 1153/3.6=8...(76) HB3 LYS 85 + HE2 LYS 85 OK 85 92 - 93 - 4.8=31, 2600/2.9=8...(75) HB3 LYS 48 + HE3 LYS 48 OK 75 85 - 89 - 4.9=30, 1174/3.6=7...(74) HB2 LYS 48 + HE2 LYS 48 OK 70 79 - 89 - 4.9=30, 1153/3.6=8...(77) HB2 LYS 48 + HE3 LYS 93 OK 69 94 - 73 - 2.9/1192=4, 2.9/1181=3...(74) HB3 LYS 85 + HE3 LYS 93 OK 63 96 - 66 - 1.8/2661=5, 3.0/2663=4...(43) HB2 LYS 48 + HE2 LYS 93 OK 60 85 - 71 - 2.9/1191=4, 2.9/1180=4...(70) HB3 LYS 48 + HE2 LYS 48 OK 58 66 - 89 - 4.9=30, 1174/3.6=7...(75) HB3 LYS 48 + HE3 LYS 93 OK 58 81 - 71 - 2.9/1192=4, 2.9/1181=3...(69) HB2 LYS 48 + HE3 LYS 85 OK 57 100 - 57 - 2607/3.5=4, 2618/3.5=4...(49) HB3 LYS 85 + HE2 LYS 93 OK 56 87 - 65 - 1.8/2650=4, 3.0/2652=4...(46) HB3 LYS 85 + HE3 LYS 48 OK 52 98 - 53 - 1.8/2661=3, 3.0/2663=3...(32) HB2 LYS 48 + HE2 LYS 85 OK 51 90 - 57 - 2607/3.5=4, 2618/3.5=4...(46) HB3 LYS 48 + HE3 LYS 85 OK 50 89 - 56 - 2.9/1192=3, 2.9/1181=3...(46) HB3 LYS 48 + HE2 LYS 93 OK 49 72 - 69 - 2.9/1191=4, 2.9/1180=4...(65) HB3 LYS 85 - HE2 LYS 48 OK 44 81 - 55 - 1.8/2650=4, 3.0/2652=3...(34) HB3 LYS 48 - HE2 LYS 85 OK 43 77 - 56 - 2.9/1180=3, 2.9/1191=3...(44) HB3 LYS 76 - HE3 LYS 85 OK 42 94 - 45 - 2607/3.5=4, 2618/3.5=4...(20) HB3 LYS 76 - HE2 LYS 85 OK 37 83 - 45 - 2607/3.5=4, 2618/3.5=4...(20) HB3 LEU 126 - HE3 LYS 85 OK 26 98 - 26 - 2607/3.5=2, 2618/3.5=2...(5) HB3 LEU 126 - HE2 LYS 85 OK 23 87 - 26 - 2607/3.5=2, 2618/3.5=2...(5) HB3 LYS 76 - HE3 LYS 93 OK 23 87 - 26 - 2268/3.8=2, ~3071=2...(8) HB3 LYS 76 - HE2 LYS 93 OK 19 78 - 25 - 2268/3.8=2, ~3071=2...(9) HB3 LEU 126 - HE3 LYS 93 OK 17 92 - 19 - 3080/3.0=3, 3069/3.0=3...(7) HB2 LYS 36 - HE3 LYS 48 OK 16 85 - 19 - 1174/3.6=3, 1185/3.6=3...(4) HB3 LEU 126 - HE2 LYS 93 OK 15 82 - 18 - 3080/3.0=3, 3069/3.0=3...(7) HB3 GLU 28 - HE2 LYS 93 OK 14 75 - 19 - ~8049=6, 3.0/8050=3...(5) HB3 GLU 28 - HE3 LYS 93 OK 14 84 - 16 - 3.0/8050=4, 3.0/8049=4...(5) HB2 ARG 144 - HE3 LYS 48 OK 13 93 - 14 - 4888/3.6=3, 1174/3.6=3 HB2 LYS 36 - HE2 LYS 48 OK 13 66 - 19 - 1174/3.6=3, 1185/3.6=3...(4) HB3 LYS 76 - HE3 LYS 48 OK 12 90 - 13 - 2264/3.6=1 HB2 LYS 36 - HE3 LYS 85 OK 11 89 - 12 - ~677=1, 2618/3.5=1, 2607/3.5=1 HB3 GLU 28 - HE3 LYS 85 OK 11 92 - 12 - 3.0/8050=2, 3.0/8049=1...(5) HB2 ARG 144 - HE2 LYS 48 OK 10 74 - 14 - 4888/3.6=3, 1174/3.6=3 HB2 LYS 36 - HE2 LYS 85 poor 10 77 - 13 - ~677=1, 2618/3.5=1, 2607/3.5=1 HB3 LYS 76 - HE2 LYS 48 poor 9 71 - 13 - 2264/3.6=1 HB3 GLU 28 - HE2 LYS 85 poor 9 80 - 11 - 3.0/8049=1, 3.0/8050=1...(5) HB2 LYS 36 - HE3 LYS 93 poor 8 81 - 10 - HB2 ARG 144 - HE3 LYS 85 lone 8 96 - 8 - HB2 LYS 36 - HE2 LYS 93 poor 8 72 - 10 - HB3 GLU 28 - HE3 LYS 48 lone 7 88 - 8 - 3.0/8049=2, ~8049=1, 3.0/8050=1 HB3 LEU 126 - HE3 LYS 48 lone 7 95 - 8 - HB2 ARG 144 - HE2 LYS 85 lone 7 85 - 8 - HG LEU 69 - HE3 LYS 85 lone 6 96 - 6 - 2618/3.5=1, 2607/3.5=1 HB3 LEU 126 - HE2 LYS 48 lone 6 76 - 8 - HB3 GLU 28 - HE2 LYS 48 lone 6 69 - 8 - 3.0/8049=2, ~8049=1 HG LEU 69 - HE2 LYS 85 lone 5 85 - 6 - 2618/3.5=1, 2607/3.5=1 HG LEU 69 - HE3 LYS 93 lone 5 90 - 5 - HG LEU 69 - HE2 LYS 93 lone 4 80 - 5 - HG LEU 69 - HE3 LYS 48 lone 4 93 - 4 - HG LEU 69 - HE2 LYS 48 lone 3 74 - 4 - HB2 ARG 144 - HE3 LYS 93 lone 2 90 - 2 - HB2 ARG 144 - HE2 LYS 93 lone 2 80 - 2 - Peak 2663 from aliabs.peaks (1.33, 2.94, 41.80 ppm; 2.97 A): 5 out of 18 assignments used, quality = 1.00: * HG2 LYS 85 + HE3 LYS 85 OK 93 100 - 93 - 3.5=62, 2641/2.9=13...(67) HG2 LYS 85 + HE2 LYS 85 OK 86 92 - 93 - 3.5=62, 2641/2.9=13...(67) HG2 LYS 85 + HE3 LYS 93 OK 62 96 - 65 - 2613=5, 2612/1.8=4...(31) HG2 LYS 85 + HE2 LYS 93 OK 55 87 - 63 - 2612=5, 2613/1.8=4...(29) HG2 LYS 85 + HE3 LYS 48 OK 48 98 - 49 - 2613=4, 2612/1.8=3...(18) HG2 LYS 85 - HE2 LYS 48 OK 40 81 - 50 - 2612=4, 2612/1.8=3...(19) HG12 ILE 83 - HE3 LYS 85 OK 12 72 - 17 - 2619/3.5=3, 2585/4.8=2...(7) HG12 ILE 83 - HE2 LYS 85 OK 10 61 - 17 - 2619/3.5=3, 2585/4.8=2...(7) QB ALA 60 - HE3 LYS 85 lone 9 99 - 9 - 2619/3.5=2, 2585/4.8=1...(4) QB ALA 60 - HE2 LYS 85 lone 8 89 - 8 - 2619/3.5=2, 2585/4.8=1...(4) QB ALA 60 - HE3 LYS 48 lone 4 96 - 4 - 8325/3.6=1 QB ALA 60 - HE2 LYS 48 lone 3 78 - 4 - 8325/3.6=1 HG12 ILE 83 - HE3 LYS 93 lone 3 65 - 4 - HG12 ILE 83 - HE2 LYS 93 lone 2 56 - 3 - QB ALA 60 - HE3 LYS 93 lone 2 93 - 2 - QB ALA 60 - HE2 LYS 93 lone 2 84 - 2 - HG12 ILE 83 - HE3 LYS 48 lone 1 68 - 1 - HG12 ILE 83 - HE2 LYS 48 lone 1 51 - 1 - Peak 2664 from aliabs.peaks (1.53, 2.94, 41.80 ppm; 2.51 A): 6 out of 54 assignments used, quality = 1.00: * HG3 LYS 85 + HE3 LYS 85 OK 79 100 - 79 - 3.5=38, 2622/2.9=6...(39) HG3 LYS 85 + HE2 LYS 85 OK 72 92 - 79 - 3.5=38, 2622/2.9=6...(39) HG2 LYS 93 + HE3 LYS 93 OK 57 74 - 77 - 3.8=29, 3051/3.0=5...(47) HG2 LYS 93 + HE2 LYS 93 OK 49 64 - 77 - 3.8=29, 3051/3.0=5...(49) HG3 LYS 85 + HE3 LYS 93 OK 49 96 - 52 - 1.8/2663=4, 2617/3.0=3...(23) HG2 LYS 93 + HE3 LYS 85 OK 46 81 - 57 - 1.8/3065=4, 2.9/3102=3...(32) HG3 LYS 85 - HE2 LYS 93 OK 43 87 - 49 - 1.8/2652=4, 2617/3.0=3...(23) HG2 LYS 93 - HE3 LYS 48 OK 42 77 - 54 - 1.8/3065=3, 2.9/3102=3...(31) HG2 LYS 93 - HE2 LYS 85 OK 40 69 - 57 - 1.8/3065=3, 2609/3.5=3...(33) HG3 LYS 85 - HE3 LYS 48 OK 38 98 - 38 - 1.8/2663=3, 2624=2...(16) HG2 LYS 93 - HE2 LYS 48 OK 34 59 - 58 - 1.8/3065=3, 3051/3.0=3...(36) HG3 LYS 85 - HE2 LYS 48 OK 31 81 - 39 - 1.8/2652=3, 2623=2...(16) HG3 LYS 76 - HE3 LYS 85 OK 25 99 - 26 - 2609/3.5=3, 2631/2.9=2...(8) HG3 LYS 76 - HE2 LYS 85 OK 23 89 - 26 - 2609/3.5=3, 2631/2.9=2...(8) HG3 LYS 76 - HE3 LYS 93 OK 15 93 - 16 - 3071/3.0=2, 3052/3.0=2...(5) HG3 LYS 76 - HE2 LYS 93 OK 13 84 - 16 - 3071/3.0=2, 3052/3.0=2...(5) HD2 LYS 76 - HE3 LYS 85 poor 10 62 - 16 - 2609/3.5=1 HB2 LEU 29 - HE3 LYS 85 lone 9 98 - 10 - ~10042=2, 2609/3.5=1 HB2 LEU 29 - HE2 LYS 85 lone 8 87 - 10 - ~10042=2, 2609/3.5=1 HD2 LYS 76 - HE2 LYS 85 poor 8 52 - 16 - 2609/3.5=1 HD2 LYS 76 - HE3 LYS 93 poor 8 56 - 14 - 3071/3.0=2, 3082/3.0=2 HD2 LYS 76 - HE2 LYS 93 poor 7 48 - 14 - 3071/3.0=2, 3082/3.0=2 HG3 PRO 57 - HE3 LYS 93 lone 7 78 - 8 - 1538/3.0=1 HG3 LYS 76 - HE3 LYS 48 lone 6 96 - 7 - HG3 PRO 57 - HE2 LYS 93 lone 6 68 - 8 - 1538/3.0=1 HG3 LYS 76 - HE2 LYS 48 lone 5 78 - 7 - HG3 PRO 57 - HE3 LYS 85 lone 5 85 - 5 - HG3 PRO 57 - HE2 LYS 85 lone 4 73 - 5 - QB ALA 135 - HE3 LYS 85 lone 3 89 - 4 - HB2 LEU 29 - HE3 LYS 93 lone 3 92 - 3 - QB ALA 135 - HE2 LYS 85 lone 3 77 - 4 - HB2 GLU 122 - HE3 LYS 85 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 85 lone 3 62 - 4 - HB2 LEU 29 - HE2 LYS 93 lone 3 82 - 3 - HB2 GLU 122 - HE2 LYS 85 lone 2 92 - 3 - QB ALA 135 - HE3 LYS 93 lone 2 81 - 3 - HD2 LYS 76 - HE3 LYS 48 lone 2 59 - 4 - QB ALA 135 - HE2 LYS 93 lone 2 72 - 3 - HB2 LYS 123 - HE2 LYS 85 lone 2 52 - 4 - QB ALA 135 - HE3 LYS 48 lone 2 85 - 2 - HD2 LYS 76 - HE2 LYS 48 lone 2 43 - 4 - HB2 LEU 29 - HE3 LYS 48 lone 1 95 - 2 - HB2 LYS 123 - HE3 LYS 48 lone 1 59 - 3 - QB ALA 135 - HE2 LYS 48 lone 1 66 - 2 - 4.0/10324=1 HB2 LEU 29 - HE2 LYS 48 lone 1 76 - 1 - HB2 LYS 123 - HE2 LYS 48 lone 1 43 - 2 - HG3 PRO 57 - HE3 LYS 48 lone 1 81 - 1 - HB2 GLU 122 - HE3 LYS 93 lone 1 96 - 1 - HB2 LYS 123 - HE3 LYS 93 lone 1 56 - 1 - HB2 GLU 122 - HE2 LYS 93 lone 1 87 - 1 - HG3 PRO 57 - HE2 LYS 48 lone 1 62 - 1 - HB2 LYS 123 - HE2 LYS 93 lone 1 48 - 1 - HB2 GLU 122 - HE3 LYS 48 lone 0 98 - 0 - HB2 GLU 122 - HE2 LYS 48 lone 0 81 - 0 - Peak 2665 from aliabs.peaks (1.57, 2.94, 41.80 ppm; 2.50 A): 4 out of 60 assignments used, quality = 1.00: * HD2 LYS 85 + HE3 LYS 85 OK 82 100 - 82 - 2.9=61, 2630/3.5=7...(32) HD2 LYS 85 + HE2 LYS 85 OK 75 92 - 82 - 2.9=61, 2630/3.5=7...(32) HD3 LYS 85 + HE3 LYS 85 OK 75 92 - 81 - 2.9=61, 2641/3.5=6...(32) HD3 LYS 85 + HE2 LYS 85 OK 65 80 - 81 - 2.9=61, 2641/3.5=6...(32) HD2 LYS 85 - HE3 LYS 93 OK 41 96 - 43 - 2635=3, 3.0/2663=3...(20) HD2 LYS 85 - HE2 LYS 93 OK 37 87 - 43 - 2634=3, 3.0/2652=2...(18) HD3 LYS 85 - HE3 LYS 93 OK 36 84 - 43 - 2646=3, 3.0/2663=3...(20) HD3 LYS 85 - HE2 LYS 93 OK 31 75 - 42 - 2645=3, 3.0/2652=2...(17) HD2 LYS 85 - HE3 LYS 48 OK 29 98 - 30 - 2635=2, 3.0/2663=2...(7) HD3 LYS 85 - HE3 LYS 48 OK 26 88 - 29 - 2646=2, 3.0/2663=2...(7) HD2 LYS 85 - HE2 LYS 48 OK 24 81 - 30 - 2634=2, 3.0/2652=2...(7) HG2 ARG 109 - HE3 LYS 85 OK 21 99 - 22 - 2610/3.5=2, 2621/3.5=2 HD3 LYS 85 - HE2 LYS 48 OK 20 69 - 30 - 2645=2, 3.0/2652=2...(7) HG2 ARG 109 - HE2 LYS 85 OK 19 89 - 22 - 2610/3.5=2, 2621/3.5=2 HG3 ARG 109 - HE3 LYS 85 OK 16 77 - 21 - 2611/3.5=2, 2622/3.5=2 HG3 ARG 109 - HE2 LYS 85 OK 14 65 - 21 - 2611/3.5=2, 2622/3.5=2 HB2 LEU 126 - HE3 LYS 85 OK 13 100 - 13 - 1.8/3102=1 HB2 LEU 126 - HE2 LYS 85 OK 12 91 - 13 - HG3 ARG 145 - HE3 LYS 85 lone 7 100 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 7 100 - 7 - HG3 ARG 145 - HE2 LYS 85 lone 7 92 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 7 92 - 7 - HB2 LEU 126 - HE3 LYS 93 lone 7 95 - 7 - 4277/5.1=2 HB2 LEU 126 - HE2 LYS 93 lone 5 86 - 6 - 4277/5.1=2 HB2 LEU 66 - HE3 LYS 85 lone 4 62 - 7 - HB2 LEU 66 - HE2 LYS 85 lone 4 52 - 7 - HB2 LEU 126 - HE3 LYS 48 lone 4 98 - 4 - HB2 LEU 126 - HE2 LYS 48 lone 3 80 - 4 - HB2 LEU 66 - HE3 LYS 48 lone 2 59 - 4 - HB2 LEU 66 - HE2 LYS 48 lone 2 43 - 4 - HG2 ARG 145 - HE3 LYS 48 lone 1 98 - 1 - HG3 ARG 145 - HE3 LYS 48 lone 1 98 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 93 - 1 - HG3 ARG 145 - HE3 LYS 93 lone 1 96 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 96 - 1 - HG2 ARG 145 - HE2 LYS 48 lone 1 81 - 1 - HG3 ARG 145 - HE2 LYS 48 lone 1 81 - 1 - HG2 ARG 109 - HE2 LYS 93 lone 1 84 - 1 - HB2 LEU 66 - HE3 LYS 93 lone 1 56 - 2 - HG2 ARG 109 - HE3 LYS 48 lone 1 96 - 1 - HG3 ARG 145 - HE2 LYS 93 lone 1 87 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 87 - 1 - HB2 LEU 66 - HE2 LYS 93 lone 1 48 - 2 - HG3 ARG 109 - HE3 LYS 93 lone 1 70 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 78 - 1 - HG3 ARG 109 - HE3 LYS 48 lone 1 73 - 1 - HG3 ARG 109 - HE2 LYS 93 lone 1 61 - 1 - HG2 ARG 55 - HE3 LYS 85 lone 1 94 - 1 - HG3 ARG 109 - HE2 LYS 48 lone 1 55 - 1 - HG3 ARG 55 - HE3 LYS 85 lone 1 89 - 1 - HG2 ARG 55 - HE2 LYS 85 lone 1 83 - 1 - HG3 ARG 55 - HE2 LYS 85 lone 1 77 - 1 - HG2 ARG 55 - HE3 LYS 48 lone 0 90 - 0 - HG2 ARG 55 - HE3 LYS 93 lone 0 87 - 0 - HG3 ARG 55 - HE3 LYS 48 lone 0 85 - 0 - HG3 ARG 55 - HE3 LYS 93 lone 0 81 - 0 - HG2 ARG 55 - HE2 LYS 93 lone 0 78 - 0 - HG2 ARG 55 - HE2 LYS 48 lone 0 71 - 0 - HG3 ARG 55 - HE2 LYS 93 lone 0 72 - 0 - HG3 ARG 55 - HE2 LYS 48 lone 0 66 - 0 - Peak 2666 from aliabs.peaks (1.57, 2.94, 41.80 ppm; 2.50 A): 4 out of 66 assignments used, quality = 1.00: * HD3 LYS 85 + HE3 LYS 85 OK 82 100 - 82 - 2.9=61, 2641/3.5=7...(32) HD3 LYS 85 + HE2 LYS 85 OK 75 92 - 82 - 2.9=61, 2641/3.5=7...(32) HD2 LYS 85 + HE3 LYS 85 OK 75 92 - 81 - 2.9=61, 2630/3.5=6...(32) HD2 LYS 85 + HE2 LYS 85 OK 65 80 - 81 - 2.9=61, 2630/3.5=6...(32) HD3 LYS 85 - HE3 LYS 93 OK 42 96 - 44 - 2646=3, 3.0/2663=3...(20) HD3 LYS 85 - HE2 LYS 93 OK 37 87 - 43 - 2645=3, 3.0/2652=2...(17) HD2 LYS 85 - HE3 LYS 93 OK 36 84 - 43 - 3.0/2663=3, 2635=3...(20) HD2 LYS 85 - HE2 LYS 93 OK 31 75 - 42 - 2634=2, 3.0/2652=2...(18) HD3 LYS 85 - HE3 LYS 48 OK 29 98 - 30 - 2646=2, 3.0/2663=2...(7) HD2 LYS 85 - HE3 LYS 48 OK 25 88 - 29 - 3.0/2663=2, 2635=2...(7) HD3 LYS 85 - HE2 LYS 48 OK 24 81 - 30 - 2645=2, 3.0/2652=2...(7) HG3 ARG 109 - HE3 LYS 85 OK 23 99 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HG3 ARG 109 - HE2 LYS 85 OK 20 89 - 23 - 2611/3.5=2, 2622/3.5=2...(5) HD2 LYS 85 - HE2 LYS 48 OK 20 69 - 30 - 3.0/2652=2, 2634=2...(7) HG2 ARG 109 - HE3 LYS 85 OK 16 77 - 21 - 2610/3.5=2, 2621/3.5=2 HG2 ARG 109 - HE2 LYS 85 OK 13 65 - 21 - 2610/3.5=2, 2621/3.5=2 HB2 LEU 126 - HE3 LYS 85 OK 12 96 - 13 - 1.8/3102=1 HB2 LEU 126 - HE2 LYS 85 OK 11 85 - 12 - HG3 LYS 36 - HE3 LYS 48 poor 10 85 - 12 - 1177/3.6=1, 696/4.9=1 HG3 LYS 36 - HE2 LYS 48 poor 8 66 - 12 - 1177/3.6=1, 696/4.9=1 HB2 LEU 66 - HE3 LYS 85 lone 7 94 - 7 - HG3 LYS 36 - HE3 LYS 85 lone 7 89 - 7 - HG2 ARG 145 - HE3 LYS 85 lone 6 92 - 7 - HG3 ARG 145 - HE3 LYS 85 lone 6 92 - 7 - HB2 LEU 66 - HE2 LYS 85 lone 6 83 - 7 - HB2 LEU 126 - HE3 LYS 93 lone 6 90 - 7 - 4277/5.1=2 HG3 LYS 36 - HE3 LYS 93 lone 6 81 - 7 - HG3 LYS 36 - HE2 LYS 85 lone 6 77 - 7 - HG2 ARG 145 - HE2 LYS 85 lone 6 80 - 7 - HG3 ARG 145 - HE2 LYS 85 lone 6 80 - 7 - HB2 LEU 126 - HE2 LYS 93 lone 5 80 - 6 - 4277/5.1=2 HG3 LYS 36 - HE2 LYS 93 lone 5 72 - 7 - HB2 LEU 66 - HE3 LYS 48 lone 4 90 - 4 - HB2 LEU 126 - HE3 LYS 48 lone 3 93 - 3 - HB2 LEU 66 - HE2 LYS 48 lone 3 71 - 4 - HB2 LEU 126 - HE2 LYS 48 lone 3 74 - 4 - HB2 LEU 66 - HE3 LYS 93 lone 2 87 - 2 - HG3 ARG 109 - HE3 LYS 48 lone 2 96 - 2 - HG3 ARG 124 - HE3 LYS 85 lone 2 89 - 2 - HB2 LEU 66 - HE2 LYS 93 lone 2 78 - 2 - HG3 ARG 109 - HE3 LYS 93 lone 2 93 - 2 - HG3 ARG 109 - HE2 LYS 48 lone 2 78 - 2 - HG3 ARG 124 - HE2 LYS 85 lone 2 77 - 2 - HG3 ARG 124 - HE3 LYS 48 lone 1 85 - 2 - HG3 ARG 109 - HE2 LYS 93 lone 1 84 - 2 - HG3 ARG 124 - HE3 LYS 93 lone 1 81 - 2 - HG3 ARG 145 - HE3 LYS 48 lone 1 88 - 1 - HG2 ARG 145 - HE3 LYS 48 lone 1 88 - 1 - HG3 ARG 124 - HE2 LYS 48 lone 1 66 - 2 - HG3 ARG 124 - HE2 LYS 93 lone 1 72 - 2 - HG3 ARG 145 - HE3 LYS 93 lone 1 84 - 1 - HG2 ARG 145 - HE3 LYS 93 lone 1 84 - 1 - HG3 ARG 145 - HE2 LYS 48 lone 1 69 - 1 - HG2 ARG 145 - HE2 LYS 48 lone 1 69 - 1 - HG2 ARG 109 - HE3 LYS 93 lone 1 70 - 1 - HG3 ARG 145 - HE2 LYS 93 lone 1 75 - 1 - HG2 ARG 145 - HE2 LYS 93 lone 1 75 - 1 - HG2 ARG 109 - HE3 LYS 48 lone 1 73 - 1 - HG2 ARG 109 - HE2 LYS 93 lone 1 61 - 1 - HG2 ARG 109 - HE2 LYS 48 lone 1 55 - 1 - HG2 ARG 55 - HE3 LYS 85 lone 0 62 - 1 - HG2 ARG 55 - HE2 LYS 85 lone 0 52 - 1 - HG2 ARG 55 - HE3 LYS 48 lone 0 59 - 0 - HG2 ARG 55 - HE3 LYS 93 lone 0 56 - 0 - HG2 ARG 55 - HE2 LYS 93 lone 0 48 - 0 - HG2 ARG 55 - HE2 LYS 48 lone 0 43 - 0 - Peak 2667 from aliabs.peaks (2.95, 2.94, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 85 + HE3 LYS 85 OK 98 98 - 100 HE3 LYS 48 + HE3 LYS 48 OK 98 98 - 100 HE2 LYS 85 + HE2 LYS 85 OK 92 92 - 100 HE2 LYS 93 + HE2 LYS 93 OK 87 87 - 100 HE3 LYS 93 + HE3 LYS 93 OK 81 81 - 100 HE2 LYS 48 + HE2 LYS 48 OK 80 80 - 100 Reference assignment not found: HE2 LYS 85 - HE3 LYS 85 Peak 2668 from aliabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 85 + HE3 LYS 85 OK 100 100 - 100 HE3 LYS 48 + HE3 LYS 48 OK 97 97 - 100 HE3 LYS 93 + HE3 LYS 93 OK 93 93 - 100 HE2 LYS 85 + HE2 LYS 85 OK 87 87 - 100 HE2 LYS 93 + HE2 LYS 93 OK 80 80 - 100 HE2 LYS 48 + HE2 LYS 48 OK 71 71 - 100 Peak 2671 from aliabs.peaks (3.95, 3.95, 57.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2672 from aliabs.peaks (1.92, 3.95, 57.01 ppm; 3.69 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HG3 PRO 12 - HA LYS 86 OK 44 100 - 44 - 2.3/10050=9, 2672=5...(17) HG13 ILE 83 - HA LYS 86 OK 40 94 - 43 - 2672=5, 3.8/10050=5...(16) QE MET 68 - HA LYS 86 OK 17 94 - 18 - 2672=2, 6980/3.0=2...(9) HB ILE 136 - HA LYS 86 OK 14 72 - 19 - ~9672=5, ~9672=3, 2672=1...(6) HB2 PRO 118 - HA LYS 86 OK 11 92 - 11 - 2672=2, 2694/3.0=1 HB2 MET 59 - HA LYS 86 poor 9 85 - 11 - 2672=1, 2694/3.0=1 HB2 ARG 140 - HA LYS 86 lone 7 98 - 7 - HB2 ARG 89 - HA LYS 86 lone 6 81 - 7 - ~10069=5 HB3 PRO 52 - HA LYS 86 lone 1 62 - 1 - Peak 2673 from aliabs.peaks (2.19, 3.95, 57.01 ppm; 3.89 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HG2 PRO 129 + HA LYS 86 OK 75 85 - 88 - 2673=14, 2.3/4357=11...(33) HB3 PRO 57 + HA LYS 86 OK 59 96 - 61 - 2673=10, 2684/3.0=7...(23) HB2 GLN 25 - HA LYS 86 OK 32 89 - 36 - 2673=4, 2684/3.0=3...(18) HB2 MET 113 - HA LYS 86 OK 17 96 - 18 - 2684/3.0=2, 2673=2...(9) HB2 MET 46 - HA LYS 86 OK 14 92 - 15 - 2673=2, 2684/3.0=2...(6) Peak 2674 from aliabs.peaks (1.39, 3.95, 57.01 ppm; 3.71 A): 1 out of 10 assignments used, quality = 0.99: * HG2 LYS 86 + HA LYS 86 OK 99 100 - 99 - 3.9=88, 1.8/2675=23...(31) HB VAL 82 - HA LYS 86 OK 42 100 - 42 - 2.1/10053=19, ~8871=14...(9) HG2 ARG 49 - HA LYS 86 OK 41 96 - 43 - 2674=7, 2696/3.0=5...(15) HB2 LEU 69 - HA LYS 86 OK 36 94 - 38 - 2674=7, 2685/3.0=5...(13) HB2 ARG 109 - HA LYS 86 OK 33 100 - 34 - 2.8/10745=7, 2674=5...(13) HG LEU 132 - HA LYS 86 OK 23 72 - 31 - 2674=4, 2685/3.0=3...(14) HG LEU 116 - HA LYS 86 poor 8 72 - 11 - 3.0/9395=2, 2674=2...(4) HB3 LEU 39 - HA LYS 86 lone 7 68 - 10 - 4.3/8867=2, 2674=1 HB2 ARG 35 - HA LYS 86 lone 3 62 - 5 - 6994/3.6=1 HG2 LYS 36 - HA LYS 86 lone 3 77 - 4 - Peak 2675 from aliabs.peaks (1.46, 3.95, 57.01 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.99: * HG3 LYS 86 + HA LYS 86 OK 99 100 - 99 - 3.9=94, 6983/3.0=20...(31) HG LEU 126 - HA LYS 86 OK 41 100 - 41 - 2675=10, 2686/3.0=7...(8) HB3 LYS 114 - HA LYS 86 OK 17 85 - 19 - 3764/3.6=8, 4.6/2680=3...(5) HB3 LEU 66 - HA LYS 86 OK 15 100 - 15 - 2686/3.0=3, 2697/3.0=3...(5) HB2 LYS 76 - HA LYS 86 OK 15 77 - 19 - ~6972=3, 2675=2...(9) HB3 LYS 123 - HA LYS 86 lone 3 72 - 4 - ~6974=1 Peak 2676 from aliabs.peaks (1.70, 3.95, 57.01 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 99 100 - 99 - 5.4=57, 2730/3.9=25...(49) HB3 LEU 95 + HA LYS 86 OK 55 100 - 55 - 2687/3.0=11, 2709/3.9=10...(13) HD2 LYS 93 - HA LYS 86 OK 19 96 - 19 - 2687/3.0=3, 2698/3.0=3...(8) HG LEU 26 - HA LYS 86 OK 17 81 - 21 - 2687/3.0=4, 2698/3.0=3...(8) Peak 2677 from aliabs.peaks (1.80, 3.95, 57.01 ppm; 4.23 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HA LYS 86 OK 99 100 - 99 - 5.4=49, 3.0/2675=22...(46) HD3 LYS 34 + HA LYS 86 OK 77 100 - 77 - 2677=11, 1.8/2677=9...(32) HD2 LYS 34 + HA LYS 86 OK 73 94 - 78 - 2677=12, 1.8/2677=9...(32) HG2 PRO 57 + HA LYS 86 OK 52 100 - 52 - 1531/3.0=8, 2.3/2673=8...(18) HB3 LEU 72 - HA LYS 86 OK 24 92 - 26 - 3.4/8867=6, 2677=4...(9) HB2 ARG 124 - HA LYS 86 lone 8 81 - 9 - 2677=1, 2721/3.9=1...(5) HB2 LYS 24 - HA LYS 86 poor 7 62 - 11 - 1.8/2677=2, ~2699=1...(4) HB3 ARG 145 - HA LYS 86 lone 5 89 - 5 - Peak 2678 from aliabs.peaks (3.06, 3.95, 57.01 ppm; 5.02 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=51, 3.9/2675=23...(43) HE3 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=51, 3.9/2675=23...(43) HE3 LYS 34 + HA LYS 86 OK 80 96 - 83 - 2.9/2677=10, 2.9/2677=10...(30) HE2 LYS 34 + HA LYS 86 OK 73 85 - 85 - 2.9/2677=10, 2.9/2677=10...(32) HD3 ARG 49 - HA LYS 86 OK 31 68 - 47 - 3.0/2674=8, ~2696=5...(18) HB3 TRP 88 - HA LYS 86 OK 15 89 - 16 - 6999/3.6=5, 2679=2...(6) HB3 ASP 30 - HA LYS 86 OK 11 94 - 12 - 3.8/6130=3, 2679=1 HB2 TYR 27 - HA LYS 86 poor 10 98 - 10 - 2701/3.0=1, 2690/3.0=1, 2679=1 HA2 GLY 78 - HA LYS 86 lone 2 62 - 3 - Peak 2679 from aliabs.peaks (3.06, 3.95, 57.01 ppm; 5.02 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=51, 3.9/2675=23...(43) HE2 LYS 86 + HA LYS 86 OK 99 100 - 99 - 6.3=51, 3.9/2675=23...(43) HE3 LYS 34 + HA LYS 86 OK 82 98 - 83 - 2.9/2677=10, 2.9/2677=10...(30) HE2 LYS 34 + HA LYS 86 OK 76 89 - 85 - 2.9/2677=10, 2.9/2677=10...(32) HD3 ARG 49 - HA LYS 86 OK 29 62 - 46 - 3.0/2674=8, ~2696=5...(18) HB3 TRP 88 - HA LYS 86 OK 14 85 - 16 - 6999/3.6=5, 2679=2...(6) HB3 ASP 30 - HA LYS 86 OK 11 92 - 12 - 3.8/6130=3, 2679=1 HB2 TYR 27 - HA LYS 86 OK 10 99 - 10 - 2701/3.0=1, 2690/3.0=1, 2679=1 Peak 2680 from aliabs.peaks (8.12, 3.95, 57.01 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 87 + HA LYS 86 OK 100 100 - 100 - 3.6=100 H TYR 115 + HA LYS 86 OK 53 100 - 53 - 2724/3.9=11, 11564/5.4=9...(11) Peak 2682 from aliabs.peaks (3.95, 1.92, 28.31 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 PRO 129 + HB2 LYS 86 OK 94 100 - 94 - 4362/1.8=13, 2.3/2684=13...(49) HA LEU 29 - HB2 LYS 86 OK 22 100 - 22 - 2693/1.8=3, ~356=2...(11) HA3 GLY 143 - HB2 LYS 86 OK 11 68 - 16 - ~2693=2, 2704/2.9=1...(10) HA PHE 106 - HB2 LYS 86 lone 8 94 - 8 - 3428/2.9=1 HA3 GLY 94 - HB2 LYS 86 lone 6 85 - 7 - HA ALA 60 - HB2 LYS 86 lone 6 85 - 7 - HB3 SER 103 - HB2 LYS 86 lone 1 62 - 1 - Peak 2683 from aliabs.peaks (1.92, 1.92, 28.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 Peak 2684 from aliabs.peaks (2.19, 1.92, 28.31 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 1.8=100 HG2 PRO 129 + HB2 LYS 86 OK 78 85 - 92 - 2.3/2682=11, ~4402=10...(44) HB3 PRO 57 + HB2 LYS 86 OK 61 96 - 64 - 2706/2.9=6, 2717/2.9=6...(28) HB2 GLN 25 - HB2 LYS 86 OK 32 89 - 36 - ~212=4, 2694=4, ~220=3...(18) HB2 MET 113 - HB2 LYS 86 OK 18 96 - 18 - ~3700=2, 2706/2.9=2...(10) HB2 MET 46 - HB2 LYS 86 OK 15 92 - 16 - 2706/2.9=1, 2717/2.9=1...(8) Peak 2685 from aliabs.peaks (1.39, 1.92, 28.31 ppm; 3.97 A): 3 out of 10 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 ARG 49 + HB2 LYS 86 OK 58 96 - 61 - 2696/1.8=7, 2718/2.9=6...(28) HB2 LEU 69 + HB2 LYS 86 OK 56 94 - 59 - 2696/1.8=7, 2718/2.9=6...(33) HB2 ARG 109 - HB2 LYS 86 OK 42 100 - 43 - 1.8/11118=6, ~10745=6...(18) HB VAL 82 - HB2 LYS 86 OK 42 100 - 42 - ~10053=13, 2674/3.0=5...(13) HG LEU 132 - HB2 LYS 86 OK 34 72 - 46 - ~10301=4, 2696/1.8=4...(26) HG LEU 116 - HB2 LYS 86 poor 10 72 - 13 - ~9395=1, 2696/1.8=1...(4) HB3 LEU 39 - HB2 LYS 86 poor 9 68 - 14 - 2696/1.8=1 HB2 ARG 35 - HB2 LYS 86 lone 4 62 - 6 - 6994/4.6=1 HG2 LYS 36 - HB2 LYS 86 lone 3 77 - 3 - Peak 2686 from aliabs.peaks (1.46, 1.92, 28.31 ppm; 4.13 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 2.9=100 HG LEU 126 + HB2 LYS 86 OK 54 100 - 54 - 2697/1.8=11, 2708/2.9=8...(17) HB3 LEU 66 - HB2 LYS 86 OK 28 100 - 28 - 2697/1.8=4, 2708/2.9=4...(13) HB3 LYS 114 - HB2 LYS 86 OK 18 85 - 21 - 3764/4.6=7, 2697/1.8=3...(6) HB2 LYS 76 - HB2 LYS 86 OK 16 77 - 21 - 2675/3.0=3, 2697/1.8=3...(9) HB3 LYS 123 - HB2 LYS 86 lone 4 72 - 5 - Peak 2687 from aliabs.peaks (1.70, 1.92, 28.31 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.5=100 HB3 LEU 95 + HB2 LYS 86 OK 52 100 - 52 - 2720/2.9=8, 2709/2.9=8...(22) HG LEU 26 - HB2 LYS 86 OK 16 81 - 20 - 2698/1.8=3, 2709/2.9=3...(5) HD2 LYS 93 - HB2 LYS 86 OK 14 96 - 14 - 2709/2.9=2, 2720/2.9=2...(5) Peak 2688 from aliabs.peaks (1.80, 1.92, 28.31 ppm; 3.62 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.5=100 HD3 LYS 34 + HB2 LYS 86 OK 85 100 - 85 - 2699/1.8=9, 2721/2.9=8...(63) HD2 LYS 34 + HB2 LYS 86 OK 80 94 - 85 - 2699/1.8=10, 2721/2.9=8...(63) HG2 PRO 57 + HB2 LYS 86 OK 59 100 - 60 - 1531/1.8=8, 2.3/2684=7...(25) HB3 LEU 72 - HB2 LYS 86 OK 19 92 - 21 - 2699/1.8=2, 2677/3.0=2...(10) HB2 ARG 124 - HB2 LYS 86 poor 8 81 - 10 - 2721/2.9=1, 2699/1.8=1 HB2 LYS 24 - HB2 LYS 86 poor 8 62 - 12 - ~2699=1, ~10885=1 HB3 ARG 145 - HB2 LYS 86 lone 5 89 - 6 - Peak 2689 from aliabs.peaks (3.06, 1.92, 28.31 ppm; 4.62 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=86, 3.0/2687=23...(71) HE3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=86, 3.0/2687=23...(69) HE3 LYS 34 + HB2 LYS 86 OK 91 96 - 95 - 2.9/2688=10, 2.9/2688=10...(61) HE2 LYS 34 + HB2 LYS 86 OK 82 85 - 96 - 2.9/2688=10, 2.9/2688=10...(67) HD3 ARG 49 - HB2 LYS 86 OK 39 68 - 58 - 3.0/2685=8, ~1287=6...(24) HB2 TYR 27 - HB2 LYS 86 OK 15 98 - 15 - ~8043=4, ~10807=2...(7) HB3 TRP 88 - HB2 LYS 86 OK 13 89 - 14 - 4.0/8934=5, 6999/4.6=4 HB3 ASP 30 - HB2 LYS 86 lone 8 94 - 9 - 2733/3.5=1, 2744/3.5=1 HA2 GLY 78 - HB2 LYS 86 lone 4 62 - 6 - ~8708=2, ~8708=1 Peak 2690 from aliabs.peaks (3.06, 1.92, 28.31 ppm; 4.62 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=86, 3.0/2687=23...(69) HE2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.9=86, 3.0/2687=23...(71) HE3 LYS 34 + HB2 LYS 86 OK 93 98 - 95 - 2.9/2688=10, 2.9/2688=10...(61) HE2 LYS 34 + HB2 LYS 86 OK 85 89 - 96 - 2.9/2688=10, 2.9/2688=10...(67) HD3 ARG 49 - HB2 LYS 86 OK 36 62 - 57 - 3.0/2685=8, ~1287=6...(24) HB2 TYR 27 - HB2 LYS 86 OK 15 99 - 15 - ~8043=4, ~10807=2...(7) HB3 TRP 88 - HB2 LYS 86 OK 12 85 - 14 - 4.0/8934=5, 6999/4.6=3 HB3 ASP 30 - HB2 LYS 86 lone 8 92 - 9 - 2733/3.5=1, 2745/3.5=1 Peak 2693 from aliabs.peaks (3.95, 2.19, 28.31 ppm; 3.71 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 PRO 129 + HB3 LYS 86 OK 94 100 - 94 - 4362=16, 2.3/4402=13...(47) HD3 PRO 129 - HB2 GLN 25 OK 40 60 - 66 - 4362=10, 2.3/4402=7...(26) HA LEU 29 - HB3 LYS 86 OK 30 100 - 30 - 4.0/8875=10, 2682/1.8=3...(12) HA LYS 86 - HB2 GLN 25 OK 20 61 - 34 - 2673=5, 3.0/2684=3...(14) HA LEU 29 - HB2 GLN 25 OK 14 60 - 23 - 4.0/8875=5, ~10850=4...(10) HA3 GLY 143 - HB3 LYS 86 OK 12 68 - 17 - ~2682=2, 2682/1.8=2...(10) HA PHE 106 - HB3 LYS 86 lone 7 94 - 7 - 3428/2.9=1, 2682/1.8=1 HA ALA 60 - HB3 LYS 86 lone 5 85 - 6 - HA3 GLY 94 - HB3 LYS 86 lone 5 85 - 6 - HA ALA 60 - HB2 GLN 25 lone 4 45 - 8 - ~8328=3, 11302/4.4=2 HA3 GLY 143 - HB2 GLN 25 lone 3 34 - 8 - ~10928=1, ~7867=1...(4) HA PHE 106 - HB2 GLN 25 lone 2 53 - 4 - ~11460=1, 11302/4.4=1 HA3 GLY 94 - HB2 GLN 25 lone 2 45 - 4 - HB3 SER 103 - HB3 LYS 86 lone 1 62 - 1 - HB3 SER 103 - HB2 GLN 25 lone 0 31 - 1 - Peak 2694 from aliabs.peaks (1.92, 2.19, 28.31 ppm; 3.57 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 1.8=100 HG3 PRO 12 + HB3 LYS 86 OK 45 100 - 46 - ~10050=5, 2672/3.0=5...(25) HG13 ILE 83 - HB3 LYS 86 OK 37 94 - 39 - 2705/2.9=5, 2716/2.9=4...(18) HB2 LYS 86 - HB2 GLN 25 OK 22 61 - 36 - 2684=5, ~212=4, ~220=3...(18) QE MET 68 - HB3 LYS 86 OK 16 94 - 17 - 2705/2.9=2, 2672/3.0=2...(8) HB ILE 136 - HB3 LYS 86 OK 14 72 - 20 - 2.5/9672=5, 2716/2.9=2...(6) HB2 PRO 118 - HB2 GLN 25 OK 14 50 - 28 - 11031/4.4=3, 3951/1.8=2...(11) HB2 PRO 118 - HB3 LYS 86 OK 11 92 - 12 - 2716/2.9=1, 2705/2.9=1 HB2 MET 59 - HB2 GLN 25 OK 11 45 - 24 - 1605/2.9=2, ~215=2...(15) HB2 MET 59 - HB3 LYS 86 OK 11 85 - 12 - ~1611=1, ~1611=1...(5) HB2 ARG 140 - HB3 LYS 86 lone 8 98 - 8 - HB2 ARG 89 - HB3 LYS 86 lone 3 81 - 3 - HB ILE 136 - HB2 GLN 25 lone 2 37 - 6 - 2.5/9672=3, ~9667=1 HB3 PRO 52 - HB2 GLN 25 lone 2 31 - 6 - ~10641=2, ~10640=1 HG3 PRO 12 - HB2 GLN 25 lone 1 60 - 2 - QE MET 68 - HB2 GLN 25 lone 1 53 - 2 - HG13 ILE 83 - HB2 GLN 25 lone 1 53 - 2 - HB2 ARG 140 - HB2 GLN 25 lone 1 56 - 1 - HB3 PRO 52 - HB3 LYS 86 lone 1 62 - 1 - HB2 ARG 89 - HB2 GLN 25 lone 0 43 - 1 - Peak 2695 from aliabs.peaks (2.19, 2.19, 28.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 HB2 GLN 25 + HB2 GLN 25 OK 48 48 - 100 Peak 2696 from aliabs.peaks (1.39, 2.19, 28.31 ppm; 4.01 A): 3 out of 20 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 ARG 49 + HB3 LYS 86 OK 60 96 - 62 - 2685/1.8=7, 2718/2.9=6...(30) HB2 LEU 69 + HB3 LYS 86 OK 54 94 - 57 - 2685/1.8=7, 2718/2.9=6...(31) HB VAL 82 - HB3 LYS 86 OK 43 100 - 43 - ~10053=14, ~8825=5...(13) HB2 ARG 109 - HB3 LYS 86 OK 42 100 - 42 - ~10745=6, ~11118=5...(18) HG LEU 132 - HB3 LYS 86 OK 31 72 - 43 - 2.1/10301=6, 2685/1.8=4...(23) HG2 LYS 86 - HB2 GLN 25 OK 23 61 - 38 - 2706=5, 1.8/2717=4...(18) HG2 LYS 36 - HB2 GLN 25 OK 10 40 - 26 - 4.6/11462=8, ~697=2...(12) HG LEU 116 - HB3 LYS 86 poor 10 72 - 13 - ~9395=1, 2685/1.8=1...(4) HB3 LEU 39 - HB3 LYS 86 poor 9 68 - 13 - 2685/1.8=1 HB2 ARG 109 - HB2 GLN 25 lone 5 60 - 8 - 11119/4.4=4, 3538/4.6=1 HB2 ARG 35 - HB3 LYS 86 lone 4 62 - 6 - 6994/4.6=1 HG2 ARG 49 - HB2 GLN 25 lone 4 55 - 7 - 3.0/11512=2, 3.9/11461=2 HB3 LEU 39 - HB2 GLN 25 lone 3 34 - 9 - ~8114=2, 837/4.0=2...(5) HB2 ARG 35 - HB2 GLN 25 lone 3 31 - 9 - 4.3/11462=8 HB VAL 82 - HB2 GLN 25 lone 2 60 - 4 - ~10007=1 HG2 LYS 36 - HB3 LYS 86 lone 2 77 - 3 - HB2 LEU 69 - HB2 GLN 25 lone 2 53 - 4 - ~9892=1 HG LEU 132 - HB2 GLN 25 lone 1 37 - 3 - HG LEU 116 - HB2 GLN 25 lone 1 37 - 2 - Peak 2697 from aliabs.peaks (1.46, 2.19, 28.31 ppm; 4.09 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 2.9=100 HG LEU 126 + HB3 LYS 86 OK 53 100 - 53 - 2686/1.8=10, 2708/2.9=8...(17) HB3 LEU 66 - HB3 LYS 86 OK 27 100 - 27 - 2686/1.8=5, 2708/2.9=4...(12) HG3 LYS 86 - HB2 GLN 25 OK 24 61 - 39 - 2717=5, 1.8/2706=4...(19) HB3 LYS 114 - HB3 LYS 86 OK 19 85 - 22 - 3764/4.6=7, 2686/1.8=3...(6) HB2 LYS 76 - HB3 LYS 86 OK 16 77 - 21 - 2686/1.8=3, 2675/3.0=3...(9) HB3 LYS 123 - HB3 LYS 86 lone 4 72 - 6 - HG LEU 126 - HB2 GLN 25 lone 2 60 - 3 - HB3 LYS 114 - HB2 GLN 25 lone 1 45 - 2 - HB3 LEU 66 - HB2 GLN 25 lone 1 59 - 1 - HB2 LYS 76 - HB2 GLN 25 lone 1 40 - 1 - HB3 LYS 123 - HB2 GLN 25 lone 0 37 - 1 - Peak 2698 from aliabs.peaks (1.70, 2.19, 28.31 ppm; 4.26 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HB3 LEU 95 + HB3 LYS 86 OK 68 100 - 69 - 2687/1.8=13, 2709/2.9=11...(25) HG LEU 26 - HB3 LYS 86 OK 26 81 - 32 - 2687/1.8=4, 2709/2.9=4...(15) HD2 LYS 86 - HB2 GLN 25 OK 23 61 - 38 - 2728=4, 1.8/2739=4...(19) HD2 LYS 93 - HB3 LYS 86 OK 22 96 - 22 - 2687/1.8=4, 2709/2.9=3...(5) HG LEU 26 - HB2 GLN 25 OK 11 43 - 26 - 5.3/10916=12, ~268=3...(7) HB3 LEU 95 - HB2 GLN 25 lone 2 60 - 4 - HD2 LYS 93 - HB2 GLN 25 lone 2 55 - 4 - 10108/4.6=2 Peak 2699 from aliabs.peaks (1.80, 2.19, 28.31 ppm; 4.03 A): 4 out of 16 assignments used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HD3 LYS 34 + HB3 LYS 86 OK 92 100 - 92 - 2688/1.8=10, 2721/2.9=9...(76) HD2 LYS 34 + HB3 LYS 86 OK 87 94 - 92 - 2688/1.8=11, 2721/2.9=10...(76) HG2 PRO 57 + HB3 LYS 86 OK 71 100 - 72 - 1531=12, 2.3/1515=9...(28) HB3 LEU 72 - HB3 LYS 86 OK 23 92 - 25 - 2688/1.8=3, ~8867=2...(11) HD3 LYS 86 - HB2 GLN 25 OK 21 61 - 35 - 2739=4, 1.8/2728=4...(16) HB2 ARG 124 - HB3 LYS 86 OK 11 81 - 13 - 2721/2.9=2, 2688/1.8=1 HB2 LYS 24 - HB3 LYS 86 poor 9 62 - 15 - ~2688=2, ~10885=1...(4) HB3 ARG 145 - HB3 LYS 86 lone 7 89 - 7 - HD3 LYS 34 - HB2 GLN 25 poor 7 61 - 11 - 11369/4.0=2, ~10522=1 HD2 LYS 34 - HB2 GLN 25 poor 6 53 - 11 - 11369/4.0=2, ~10522=1 HG2 PRO 57 - HB2 GLN 25 lone 5 60 - 9 - 8267/8254=2 HB2 LYS 24 - HB2 GLN 25 lone 3 31 - 10 - ~211=1, ~10876=1, ~227=1, ~219=1 HB3 LEU 72 - HB2 GLN 25 lone 2 50 - 4 - ~9911=1 HB2 ARG 124 - HB2 GLN 25 lone 1 43 - 3 - HB3 ARG 145 - HB2 GLN 25 lone 0 48 - 1 - Peak 2700 from aliabs.peaks (3.06, 2.19, 28.31 ppm; 4.92 A): 4 out of 18 assignments used, quality = 1.00: * HE2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=100 HE3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=100 HE3 LYS 34 + HB3 LYS 86 OK 93 96 - 96 - 2.9/2699=11, 2.9/2699=11...(60) HE2 LYS 34 + HB3 LYS 86 OK 83 85 - 97 - 2.9/2699=11, 2.9/2699=11...(66) HD3 ARG 49 - HB3 LYS 86 OK 42 68 - 62 - 3.0/2696=9, ~1287=6...(24) HB2 TYR 27 - HB2 GLN 25 OK 24 56 - 43 - 11367/2.9=22, ~11368=13...(5) HB2 TYR 27 - HB3 LYS 86 OK 17 98 - 18 - ~8043=5, ~10807=3...(8) HE2 LYS 86 - HB2 GLN 25 OK 14 61 - 23 - 3.0/2728=4, 3.9/2717=4...(8) HE3 LYS 86 - HB2 GLN 25 OK 14 60 - 23 - 3.0/2728=4, 3.9/2717=4...(8) HB3 TRP 88 - HB3 LYS 86 poor 10 89 - 11 - 6999/4.6=4, 2690/1.8=1...(5) HB3 ASP 30 - HB3 LYS 86 lone 9 94 - 9 - 2733/3.5=1, 2744/3.5=1 HD3 ARG 49 - HB2 GLN 25 poor 6 34 - 17 - 2.9/11461=3, ~11687=3...(5) HA2 GLY 78 - HB3 LYS 86 lone 5 62 - 8 - ~8708=2, ~8708=2 HE3 LYS 34 - HB2 GLN 25 lone 4 55 - 7 - ~10807=1 HE2 LYS 34 - HB2 GLN 25 lone 3 45 - 7 - ~10807=1 HB3 TRP 88 - HB2 GLN 25 lone 2 48 - 5 - ~2828=2, ~2828=1 HB3 ASP 30 - HB2 GLN 25 lone 2 53 - 4 - 3.8/6133=2 HA2 GLY 78 - HB2 GLN 25 lone 1 31 - 2 - Peak 2701 from aliabs.peaks (3.06, 2.19, 28.31 ppm; 4.92 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=100 HE2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=100 HE3 LYS 34 + HB3 LYS 86 OK 94 98 - 96 - 2.9/2699=11, 2.9/2699=11...(60) HE2 LYS 34 + HB3 LYS 86 OK 86 89 - 97 - 2.9/2699=11, 2.9/2699=11...(66) HD3 ARG 49 - HB3 LYS 86 OK 38 62 - 62 - 3.0/2696=9, ~1287=6...(24) HB2 TYR 27 - HB2 GLN 25 OK 25 58 - 43 - 11367/2.9=22, ~11368=13...(5) HB2 TYR 27 - HB3 LYS 86 OK 18 99 - 18 - ~8043=5, ~10807=3...(8) HE3 LYS 86 - HB2 GLN 25 OK 14 61 - 23 - 3.0/2728=4, 3.9/2717=4...(8) HE2 LYS 86 - HB2 GLN 25 OK 14 60 - 23 - 3.0/2728=4, 3.9/2717=4...(8) HB3 TRP 88 - HB3 LYS 86 poor 9 85 - 11 - 6999/4.6=4, 2690/1.8=1...(4) HB3 ASP 30 - HB3 LYS 86 lone 9 92 - 9 - 2733/3.5=1, 2745/3.5=1 HD3 ARG 49 - HB2 GLN 25 poor 5 31 - 17 - 2.9/11461=3, ~11687=3...(5) HE3 LYS 34 - HB2 GLN 25 lone 4 56 - 7 - ~10807=1 HE2 LYS 34 - HB2 GLN 25 lone 3 48 - 7 - ~10807=1 HB3 TRP 88 - HB2 GLN 25 lone 2 45 - 5 - ~2828=2, ~2828=1 HB3 ASP 30 - HB2 GLN 25 lone 2 50 - 4 - 3.8/6133=2 Peak 2704 from aliabs.peaks (3.95, 1.39, 24.82 ppm; 4.03 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=100 HD3 PRO 129 + HG2 LYS 86 OK 90 100 - 90 - 2715/1.8=16, 2737/3.0=12...(33) HA LEU 29 - HG2 LYS 86 OK 16 100 - 16 - 2693/2.9=3, 2682/2.9=3...(5) HA3 GLY 143 - HG2 LYS 86 OK 12 68 - 17 - ~2715=2, 2715/1.8=2...(10) HA PHE 106 - HG2 LYS 86 lone 9 94 - 10 - 3428=2, 2715/1.8=1 HA3 GLY 94 - HG2 LYS 86 lone 7 85 - 8 - 2726/3.0=1, 11698/11674=1 HA ALA 60 - HG2 LYS 86 lone 6 85 - 7 - HB3 SER 103 - HG2 LYS 86 lone 1 62 - 2 - Peak 2705 from aliabs.peaks (1.92, 1.39, 24.82 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 2.9=100 HG13 ILE 83 - HG2 LYS 86 OK 45 94 - 48 - 2.1/10005=7, 2716/1.8=6...(18) HG3 PRO 12 - HG2 LYS 86 OK 42 100 - 43 - 2716/1.8=6, 2738/3.0=5...(20) QE MET 68 - HG2 LYS 86 OK 19 94 - 20 - 2716/1.8=3, 8450/3.9=2...(7) HB ILE 136 - HG2 LYS 86 OK 16 72 - 22 - ~9672=5, ~9672=3...(7) HB2 PRO 118 - HG2 LYS 86 OK 11 92 - 12 - 2716/1.8=2, 2738/3.0=1...(5) HB2 MET 59 - HG2 LYS 86 OK 10 85 - 12 - 2716/1.8=2, 2727/3.0=1...(4) HB2 ARG 140 - HG2 LYS 86 lone 9 98 - 9 - 2716/1.8=1 HB2 ARG 89 - HG2 LYS 86 lone 3 81 - 4 - HB3 PRO 52 - HG2 LYS 86 lone 1 62 - 1 - Peak 2706 from aliabs.peaks (2.19, 1.39, 24.82 ppm; 4.17 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HG2 LYS 86 OK 78 85 - 91 - 2.3/2704=14, 2717/1.8=13...(33) HB3 PRO 57 + HG2 LYS 86 OK 68 96 - 71 - 2717/1.8=9, 2739/3.0=8...(30) HB2 GLN 25 - HG2 LYS 86 OK 35 89 - 39 - 2717/1.8=4, ~212=4...(19) HB2 MET 113 - HG2 LYS 86 OK 21 96 - 21 - 2717/1.8=2, 2684/2.9=2...(10) HB2 MET 46 - HG2 LYS 86 OK 18 92 - 19 - 2717/1.8=2, 2739/3.0=2...(10) Peak 2707 from aliabs.peaks (1.39, 1.39, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2708 from aliabs.peaks (1.46, 1.39, 24.82 ppm; 3.09 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 1.8=100 HG LEU 126 - HG2 LYS 86 OK 37 100 - 37 - 2741/3.0=5, 2730/3.0=5...(16) HB3 LEU 66 - HG2 LYS 86 OK 17 100 - 17 - 2741/3.0=2, 2730/3.0=2...(6) HB2 LYS 76 - HG2 LYS 86 OK 10 77 - 13 - 2686/2.9=1, 2730/3.0=1...(6) HB3 LYS 114 - HG2 LYS 86 poor 10 85 - 11 - 2741/3.0=1, 2730/3.0=1...(5) HB3 LYS 123 - HG2 LYS 86 lone 2 72 - 3 - Peak 2709 from aliabs.peaks (1.70, 1.39, 24.82 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 95 + HG2 LYS 86 OK 57 100 - 57 - 2720/1.8=11, 2687/2.9=8...(23) HG LEU 26 - HG2 LYS 86 OK 18 81 - 22 - 2720/1.8=3, 2742/3.0=3...(8) HD2 LYS 93 - HG2 LYS 86 OK 16 96 - 16 - 2720/1.8=3, 2687/2.9=2...(5) Peak 2710 from aliabs.peaks (1.80, 1.39, 24.82 ppm; 3.62 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 34 + HG2 LYS 86 OK 85 100 - 85 - 2721/1.8=10, 2732/3.0=8...(63) HD2 LYS 34 + HG2 LYS 86 OK 81 94 - 86 - 2721/1.8=11, 2732/3.0=9...(63) HG2 PRO 57 + HG2 LYS 86 OK 57 100 - 57 - 2.3/2706=7, 1531/2.9=6...(25) HB3 LEU 72 - HG2 LYS 86 OK 17 92 - 18 - 2721/1.8=2, 2688/2.9=2...(7) HB2 ARG 124 - HG2 LYS 86 poor 10 81 - 12 - 2721/1.8=2, ~10671=1 HB2 LYS 24 - HG2 LYS 86 poor 8 62 - 12 - ~2721=1, ~10885=1 HB3 ARG 145 - HG2 LYS 86 lone 6 89 - 7 - Peak 2711 from aliabs.peaks (3.06, 1.39, 24.82 ppm; 3.76 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=91, 3.0/2729=18...(58) HE3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=91, 3.0/2729=18...(56) HE3 LYS 34 + HG2 LYS 86 OK 82 96 - 85 - 2.9/2710=8, 2.9/2710=8...(53) HE2 LYS 34 + HG2 LYS 86 OK 75 85 - 88 - 2.9/2710=8, 2.9/2710=8...(59) HD3 ARG 49 - HG2 LYS 86 OK 33 68 - 49 - 1.8/1287=7, 3.0/1278=5...(22) HB2 TYR 27 - HG2 LYS 86 OK 11 98 - 11 - ~8043=3, ~10807=2, 2734/3.0=1 HB3 TRP 88 - HG2 LYS 86 poor 9 89 - 10 - 4.0/11674=5 HB3 ASP 30 - HG2 LYS 86 lone 6 94 - 6 - 2733/3.0=1, 2744/3.0=1 HA2 GLY 78 - HG2 LYS 86 lone 3 62 - 5 - ~8708=1 Peak 2712 from aliabs.peaks (3.06, 1.39, 24.82 ppm; 3.76 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=91, 3.0/2729=18...(56) HE2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=91, 3.0/2729=18...(58) HE3 LYS 34 + HG2 LYS 86 OK 83 98 - 85 - 2.9/2710=8, 2.9/2710=8...(53) HE2 LYS 34 + HG2 LYS 86 OK 78 89 - 88 - 2.9/2710=8, 2.9/2710=8...(59) HD3 ARG 49 - HG2 LYS 86 OK 30 62 - 49 - 1.8/1287=7, 3.0/1278=5...(22) HB2 TYR 27 - HG2 LYS 86 OK 11 99 - 11 - ~8043=3, ~10807=2, 2734/3.0=1 HB3 TRP 88 - HG2 LYS 86 poor 9 85 - 10 - 4.0/11674=5 HB3 ASP 30 - HG2 LYS 86 lone 6 92 - 6 - 2733/3.0=1, 2745/3.0=1 Peak 2715 from aliabs.peaks (3.95, 1.46, 24.82 ppm; 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 98 100 - 98 - 3.9=81, 3.0/6983=19...(30) HD3 PRO 129 + HG3 LYS 86 OK 83 100 - 83 - 2704/1.8=12, 2737/3.0=10...(31) HA LEU 29 - HG3 LYS 86 OK 12 100 - 12 - 2693/2.9=2, 2682/2.9=2...(5) HA3 GLY 143 - HG3 LYS 86 poor 9 68 - 14 - ~2704=2, 2704/1.8=2...(9) HA PHE 106 - HG3 LYS 86 lone 5 94 - 6 - 3428/1.8=1 HA3 GLY 94 - HG3 LYS 86 lone 4 85 - 5 - HA ALA 60 - HG3 LYS 86 lone 4 85 - 4 - HB3 SER 103 - HG3 LYS 86 lone 1 62 - 1 - Peak 2716 from aliabs.peaks (1.92, 1.46, 24.82 ppm; 3.65 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 2.9=100 HG3 PRO 12 - HG3 LYS 86 OK 40 100 - 40 - 2705/1.8=6, 2738/3.0=5...(17) HG13 ILE 83 - HG3 LYS 86 OK 37 94 - 40 - 2705/1.8=6, 10761/3.0=5...(14) QE MET 68 - HG3 LYS 86 OK 16 94 - 17 - 2705/1.8=3, 8450/3.9=2...(7) HB ILE 136 - HG3 LYS 86 OK 15 72 - 20 - ~9672=5, ~9672=3...(7) HB2 PRO 118 - HG3 LYS 86 OK 10 92 - 11 - 2705/1.8=2, 2738/3.0=1...(4) HB2 MET 59 - HG3 LYS 86 poor 9 85 - 11 - 2705/1.8=1, 2727/3.0=1...(4) HB2 ARG 140 - HG3 LYS 86 lone 7 98 - 7 - 2705/1.8=1 HB2 ARG 89 - HG3 LYS 86 lone 2 81 - 3 - HB3 PRO 52 - HG3 LYS 86 lone 1 62 - 1 - Peak 2717 from aliabs.peaks (2.19, 1.46, 24.82 ppm; 4.45 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 2.9=100 HG2 PRO 129 + HG3 LYS 86 OK 80 85 - 94 - 2.3/2715=17, 2706/1.8=13...(32) HB3 PRO 57 + HG3 LYS 86 OK 72 96 - 75 - 2706/1.8=10, 2739/3.0=9...(31) HB2 GLN 25 - HG3 LYS 86 OK 39 89 - 44 - 2697=5, 2706/1.8=5...(19) HB2 MET 113 - HG3 LYS 86 OK 22 96 - 22 - 2706/1.8=3, ~3700=2...(12) HB2 MET 46 - HG3 LYS 86 OK 20 92 - 22 - ~11506=3, 2706/1.8=2...(11) Peak 2718 from aliabs.peaks (1.39, 1.46, 24.82 ppm; 3.03 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 1.8=100 HG2 ARG 49 - HG3 LYS 86 OK 40 96 - 42 - 2729/3.0=4, 2740/3.0=4...(19) HB2 LEU 69 - HG3 LYS 86 OK 36 94 - 38 - 2729/3.0=4, 1.8/2716=4...(19) HB2 ARG 109 - HG3 LYS 86 OK 21 100 - 21 - ~11118=2, 2685/2.9=2...(10) HG LEU 132 - HG3 LYS 86 OK 19 72 - 27 - 2685/2.9=2, 3.0/2716=2...(13) HB VAL 82 - HG3 LYS 86 OK 18 100 - 18 - 2674/3.9=2, 2729/3.0=2...(10) HG LEU 116 - HG3 LYS 86 lone 5 72 - 7 - HB3 LEU 39 - HG3 LYS 86 lone 5 68 - 7 - HB2 ARG 35 - HG3 LYS 86 lone 2 62 - 3 - HG2 LYS 36 - HG3 LYS 86 lone 1 77 - 2 - Peak 2719 from aliabs.peaks (1.46, 1.46, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 Peak 2720 from aliabs.peaks (1.70, 1.46, 24.82 ppm; 3.13 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 95 + HG3 LYS 86 OK 46 100 - 46 - 2709/1.8=9, 2742/3.0=6...(21) HG LEU 26 - HG3 LYS 86 OK 14 81 - 17 - 2709/1.8=3, 2742/3.0=2...(5) HD2 LYS 93 - HG3 LYS 86 OK 12 96 - 12 - 2709/1.8=2, 2687/2.9=2...(5) Peak 2721 from aliabs.peaks (1.80, 1.46, 24.82 ppm; 3.65 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 34 + HG3 LYS 86 OK 85 100 - 85 - 2710/1.8=10, 2732/3.0=9...(63) HD2 LYS 34 + HG3 LYS 86 OK 81 94 - 86 - 2710/1.8=10, 2732/3.0=9...(63) HG2 PRO 57 + HG3 LYS 86 OK 58 100 - 58 - 2.3/2717=7, 1531/2.9=6...(25) HB3 LEU 72 - HG3 LYS 86 OK 17 92 - 18 - 2710/1.8=2, 2688/2.9=2...(7) HB2 ARG 124 - HG3 LYS 86 OK 14 81 - 17 - 3.8/11075=2, 4.6/9489=2...(5) HB2 LYS 24 - HG3 LYS 86 poor 8 62 - 12 - ~2710=1, ~10885=1, ~2699=1 HB3 ARG 145 - HG3 LYS 86 lone 6 89 - 7 - Peak 2722 from aliabs.peaks (3.06, 1.46, 24.82 ppm; 3.99 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.9=100 HE3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.9=100 HE3 LYS 34 + HG3 LYS 86 OK 85 96 - 88 - 2.9/2721=9, 2.9/2721=9...(52) HE2 LYS 34 + HG3 LYS 86 OK 77 85 - 90 - 2.9/2721=9, 2.9/2721=9...(58) HD3 ARG 49 - HG3 LYS 86 OK 31 68 - 46 - 3.0/2718=7, ~1287=6...(19) HB2 TYR 27 - HG3 LYS 86 OK 11 98 - 11 - ~8043=3, ~10807=2...(5) HB3 ASP 30 - HG3 LYS 86 lone 7 94 - 7 - 2733/3.0=1, 2744/3.0=1 HB3 TRP 88 - HG3 LYS 86 lone 6 89 - 6 - HA2 GLY 78 - HG3 LYS 86 lone 3 62 - 5 - ~8708=1, ~8708=1 Peak 2723 from aliabs.peaks (3.06, 1.46, 24.82 ppm; 3.99 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.9=100 HE2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.9=100 HE3 LYS 34 + HG3 LYS 86 OK 86 98 - 88 - 2.9/2721=9, 2.9/2721=9...(52) HE2 LYS 34 + HG3 LYS 86 OK 80 89 - 90 - 2.9/2721=9, 2.9/2721=9...(58) HD3 ARG 49 - HG3 LYS 86 OK 28 62 - 46 - 3.0/2718=7, ~1287=6...(19) HB2 TYR 27 - HG3 LYS 86 OK 11 99 - 11 - ~8043=3, ~10807=2...(5) HB3 ASP 30 - HG3 LYS 86 lone 6 92 - 7 - 2733/3.0=1, 2745/3.0=1 HB3 TRP 88 - HG3 LYS 86 lone 5 85 - 6 - Peak 2726 from aliabs.peaks (3.95, 1.70, 29.40 ppm; 3.76 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 86 + HD2 LYS 86 OK 97 100 - 97 - 5.4=35, 3.9/2730=19...(45) HD3 PRO 129 + HD2 LYS 86 OK 85 100 - 85 - 2737/1.8=14, 2.3/2728=12...(37) HA LEU 29 - HD2 LYS 86 OK 13 100 - 13 - 2693/3.5=2, 2737/1.8=2...(5) HA3 GLY 143 - HD2 LYS 86 OK 11 68 - 16 - 2737/1.8=2, ~2737=2...(9) HA3 GLY 94 - HD2 LYS 86 lone 8 85 - 10 - 3.5/7117=4 HA PHE 106 - HD2 LYS 86 lone 6 94 - 6 - 3428/3.0=1 HA ALA 60 - HD2 LYS 86 lone 5 85 - 5 - HB3 SER 103 - HD2 LYS 86 lone 1 62 - 1 - Peak 2727 from aliabs.peaks (1.92, 1.70, 29.40 ppm; 3.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.5=92, 2.9/2730=22...(75) HG13 ILE 83 - HD2 LYS 86 OK 34 94 - 37 - 2738/1.8=5, 10761=4...(14) HG3 PRO 12 - HD2 LYS 86 OK 33 100 - 34 - 2738/1.8=5, 2716/3.0=4...(12) QE MET 68 - HD2 LYS 86 OK 15 94 - 16 - 2738/1.8=3, 8450/3.0=2...(6) HB ILE 136 - HD2 LYS 86 OK 11 72 - 16 - ~9672=3, 2738/1.8=2...(6) HB2 MET 59 - HD2 LYS 86 lone 8 85 - 10 - 3.9/6537=1, 2738/1.8=1 HB2 PRO 118 - HD2 LYS 86 lone 8 92 - 9 - 2738/1.8=1, 2716/3.0=1 HB2 ARG 140 - HD2 LYS 86 lone 6 98 - 6 - 2738/1.8=1 HB2 ARG 89 - HD2 LYS 86 lone 2 81 - 2 - HB3 PRO 52 - HD2 LYS 86 lone 1 62 - 1 - Peak 2728 from aliabs.peaks (2.19, 1.70, 29.40 ppm; 3.51 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.5=100 HG2 PRO 129 + HD2 LYS 86 OK 67 85 - 79 - 2739/1.8=11, 2.3/2726=11...(35) HB3 PRO 57 + HD2 LYS 86 OK 56 96 - 58 - 2739/1.8=8, 2706/3.0=6...(27) HB2 GLN 25 - HD2 LYS 86 OK 24 89 - 27 - 2739/1.8=3, 2698=3...(12) HB2 MET 46 - HD2 LYS 86 OK 12 92 - 13 - 2739/1.8=2, 2706/3.0=1...(5) HB2 MET 113 - HD2 LYS 86 OK 12 96 - 13 - 2739/1.8=2, 2706/3.0=1...(5) Peak 2729 from aliabs.peaks (1.39, 1.70, 29.40 ppm; 3.21 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HG2 ARG 49 - HD2 LYS 86 OK 44 96 - 46 - 2740/1.8=6, 2718/3.0=4...(20) HB2 LEU 69 - HD2 LYS 86 OK 38 94 - 41 - 2740/1.8=6, 1.8/2727=5...(16) HB VAL 82 - HD2 LYS 86 OK 23 100 - 23 - 3.0/2476=4, 4.5/11562=4...(10) HB2 ARG 109 - HD2 LYS 86 OK 20 100 - 20 - 2740/1.8=3, 2718/3.0=2...(8) HG LEU 132 - HD2 LYS 86 OK 19 72 - 26 - 2740/1.8=3, 3.0/2727=2...(8) HG LEU 116 - HD2 LYS 86 lone 5 72 - 6 - HB3 LEU 39 - HD2 LYS 86 lone 5 68 - 7 - HB2 ARG 35 - HD2 LYS 86 lone 2 62 - 4 - HG2 LYS 36 - HD2 LYS 86 lone 2 77 - 2 - Peak 2730 from aliabs.peaks (1.46, 1.70, 29.40 ppm; 3.29 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HG LEU 126 - HD2 LYS 86 OK 39 100 - 39 - 2741/1.8=8, 2708/3.0=6...(18) HB3 LEU 66 - HD2 LYS 86 OK 18 100 - 18 - 2741/1.8=4, 2708/3.0=3...(5) HB3 LYS 114 - HD2 LYS 86 OK 11 85 - 13 - 4.6/11563=2, 2741/1.8=2...(6) HB2 LYS 76 - HD2 LYS 86 poor 10 77 - 12 - 2741/1.8=2, 2708/3.0=2...(4) HB3 LYS 123 - HD2 LYS 86 lone 3 72 - 3 - Peak 2731 from aliabs.peaks (1.70, 1.70, 29.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 2732 from aliabs.peaks (1.80, 1.70, 29.40 ppm; 2.58 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 1.8=100 HD3 LYS 34 + HD2 LYS 86 OK 62 100 - 62 - 2721/3.0=4, 2710/3.0=4...(26) HD2 LYS 34 + HD2 LYS 86 OK 59 94 - 63 - 2721/3.0=4, 2710/3.0=4...(25) HG2 PRO 57 - HD2 LYS 86 OK 32 100 - 32 - 2.3/2728=4, 1531/3.5=3...(16) HB3 LEU 72 - HD2 LYS 86 lone 8 92 - 8 - HB2 ARG 124 - HD2 LYS 86 lone 5 81 - 6 - HB2 LYS 24 - HD2 LYS 86 lone 5 62 - 7 - HB3 ARG 145 - HD2 LYS 86 lone 3 89 - 3 - Peak 2733 from aliabs.peaks (3.06, 1.70, 29.40 ppm; 2.97 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE3 LYS 34 + HD2 LYS 86 OK 68 96 - 70 - 2753=7, 2.9/2732=6...(48) HE2 LYS 34 + HD2 LYS 86 OK 62 85 - 72 - 2.9/2732=6, 2.9/2732=6...(55) HD3 ARG 49 - HD2 LYS 86 OK 20 68 - 30 - 3.0/2729=5, ~2740=2...(13) HB2 TYR 27 - HD2 LYS 86 OK 12 98 - 12 - 3.0/8043=2, ~10807=1, ~299=1 HB3 ASP 30 - HD2 LYS 86 OK 12 94 - 12 - ~395=1, ~395=1, 2753=1...(5) HB3 TRP 88 - HD2 LYS 86 lone 4 89 - 4 - HA2 GLY 78 - HD2 LYS 86 lone 2 62 - 3 - 1.8/8708=1 Peak 2734 from aliabs.peaks (3.06, 1.70, 29.40 ppm; 2.97 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE3 LYS 34 + HD2 LYS 86 OK 69 98 - 70 - 2753=7, 2.9/2732=6...(48) HE2 LYS 34 + HD2 LYS 86 OK 64 89 - 72 - 2.9/2732=6, 2.9/2732=6...(55) HD3 ARG 49 - HD2 LYS 86 OK 18 62 - 30 - 3.0/2729=5, ~2740=2...(13) HB2 TYR 27 - HD2 LYS 86 OK 12 99 - 12 - 3.0/8043=2, ~10807=1, ~299=1 HB3 ASP 30 - HD2 LYS 86 OK 11 92 - 12 - ~395=1, ~395=1, 2753=1...(5) HB3 TRP 88 - HD2 LYS 86 lone 4 85 - 4 - Peak 2737 from aliabs.peaks (3.95, 1.80, 29.40 ppm; 3.73 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 86 + HD3 LYS 86 OK 96 100 - 96 - 5.4=34, 2675/3.0=18...(45) HD3 PRO 129 + HD3 LYS 86 OK 84 100 - 84 - 2726/1.8=14, 2.3/2739=11...(37) HA LEU 29 - HD3 LYS 86 OK 13 100 - 13 - 2693/3.5=2, 2682/3.5=2...(5) HA3 GLY 143 - HD3 LYS 86 OK 10 68 - 15 - 2726/1.8=2, ~2726=2...(9) HA PHE 106 - HD3 LYS 86 lone 6 94 - 6 - 3428/3.0=1 HA3 GLY 94 - HD3 LYS 86 lone 5 85 - 5 - 2726/1.8=1 HA ALA 60 - HD3 LYS 86 lone 4 85 - 5 - HB3 SER 103 - HD3 LYS 86 lone 1 62 - 1 - Peak 2738 from aliabs.peaks (1.92, 1.80, 29.40 ppm; 3.34 A): 1 out of 10 assignments used, quality = 0.99: * HB2 LYS 86 + HD3 LYS 86 OK 99 100 - 99 - 3.5=88, 2687/1.8=18...(73) HG3 PRO 12 - HD3 LYS 86 OK 32 100 - 32 - 2727/1.8=5, 2716/3.0=4...(12) HG13 ILE 83 - HD3 LYS 86 OK 30 94 - 31 - 2727/1.8=5, 2705/3.0=4...(12) QE MET 68 - HD3 LYS 86 OK 15 94 - 15 - 2727/1.8=2, 8450/3.0=2...(6) HB ILE 136 - HD3 LYS 86 OK 11 72 - 15 - ~9672=3, 2727/1.8=2...(5) HB2 PRO 118 - HD3 LYS 86 lone 8 92 - 8 - 2727/1.8=1, 2716/3.0=1 HB2 MET 59 - HD3 LYS 86 lone 7 85 - 8 - 2727/1.8=1 HB2 ARG 140 - HD3 LYS 86 lone 6 98 - 6 - 2727/1.8=1 HB2 ARG 89 - HD3 LYS 86 lone 2 81 - 2 - HB3 PRO 52 - HD3 LYS 86 lone 0 62 - 1 - Peak 2739 from aliabs.peaks (2.19, 1.80, 29.40 ppm; 3.37 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.5=90, 1.8/2738=17...(74) HG2 PRO 129 + HD3 LYS 86 OK 65 85 - 76 - 2728/1.8=11, 2.3/2737=10...(34) HB3 PRO 57 + HD3 LYS 86 OK 54 96 - 57 - 2728/1.8=8, 2706/3.0=5...(27) HB2 GLN 25 - HD3 LYS 86 OK 21 89 - 23 - 2728/1.8=3, 2684/3.5=2...(11) HB2 MET 46 - HD3 LYS 86 OK 13 92 - 13 - 2728/1.8=2, 1524=1...(5) HB2 MET 113 - HD3 LYS 86 OK 11 96 - 12 - 2728/1.8=2, 2706/3.0=1...(5) Peak 2740 from aliabs.peaks (1.39, 1.80, 29.40 ppm; 3.23 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HG2 ARG 49 - HD3 LYS 86 OK 45 96 - 47 - 2729/1.8=6, 2718/3.0=4...(20) HB2 LEU 69 - HD3 LYS 86 OK 38 94 - 40 - 2729/1.8=6, 1.8/2738=4...(15) HB VAL 82 - HD3 LYS 86 OK 21 100 - 21 - 2729/1.8=3, ~2476=2...(10) HB2 ARG 109 - HD3 LYS 86 OK 20 100 - 20 - 2729/1.8=3, 2718/3.0=2...(8) HG LEU 132 - HD3 LYS 86 OK 19 72 - 26 - 2729/1.8=3, 3.0/2738=2...(8) HB3 LEU 39 - HD3 LYS 86 lone 5 68 - 8 - HG LEU 116 - HD3 LYS 86 lone 5 72 - 6 - HB2 ARG 35 - HD3 LYS 86 lone 3 62 - 4 - 3.6/6180=1 HG2 LYS 36 - HD3 LYS 86 lone 1 77 - 2 - Peak 2741 from aliabs.peaks (1.46, 1.80, 29.40 ppm; 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HG LEU 126 - HD3 LYS 86 OK 39 100 - 40 - 2730/1.8=8, 2708/3.0=6...(18) HB3 LEU 66 - HD3 LYS 86 OK 19 100 - 19 - 2730/1.8=4, 2708/3.0=3...(5) HB3 LYS 114 - HD3 LYS 86 OK 12 85 - 13 - 2730/1.8=2, 4.6/11564=2...(5) HB2 LYS 76 - HD3 LYS 86 poor 9 77 - 12 - 2730/1.8=2, 2708/3.0=2...(4) HB3 LYS 123 - HD3 LYS 86 lone 3 72 - 4 - Peak 2742 from aliabs.peaks (1.70, 1.80, 29.40 ppm; 2.64 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 1.8=100 HB3 LEU 95 - HD3 LYS 86 OK 35 100 - 35 - 2720/3.0=5, 2709/3.0=4...(17) HG LEU 26 - HD3 LYS 86 OK 11 81 - 14 - 2720/3.0=1, 2709/3.0=1 HD2 LYS 93 - HD3 LYS 86 lone 8 96 - 9 - 2709/3.0=1, 2720/3.0=1 Peak 2743 from aliabs.peaks (1.80, 1.80, 29.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 Peak 2744 from aliabs.peaks (3.06, 1.80, 29.40 ppm; 2.84 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 86 + HD3 LYS 86 OK 98 100 - 98 - 3.0=89, 2753/1.8=11...(58) HE3 LYS 86 + HD3 LYS 86 OK 98 100 - 98 - 3.0=89, 2764/1.8=11...(58) HE3 LYS 34 + HD3 LYS 86 OK 60 96 - 62 - 2734/1.8=6, 2722/3.0=4...(40) HE2 LYS 34 + HD3 LYS 86 OK 56 85 - 66 - 2734/1.8=6, 576=3...(47) HD3 ARG 49 - HD3 LYS 86 OK 18 68 - 27 - 3.0/2740=4, ~2729=2...(9) HB3 ASP 30 - HD3 LYS 86 OK 10 94 - 11 - ~395=1, ~395=1 HB2 TYR 27 - HD3 LYS 86 lone 9 98 - 9 - ~8043=2 HB3 TRP 88 - HD3 LYS 86 lone 3 89 - 4 - HA2 GLY 78 - HD3 LYS 86 lone 1 62 - 2 - Peak 2745 from aliabs.peaks (3.06, 1.80, 29.40 ppm; 2.84 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 98 100 - 98 - 3.0=89, 2764/1.8=11...(58) HE2 LYS 86 + HD3 LYS 86 OK 98 100 - 98 - 3.0=89, 2764/1.8=11...(58) HE3 LYS 34 + HD3 LYS 86 OK 61 98 - 62 - 2734/1.8=6, 2722/3.0=4...(40) HE2 LYS 34 + HD3 LYS 86 OK 59 89 - 66 - 2734/1.8=6, 566=4...(47) HD3 ARG 49 - HD3 LYS 86 OK 16 62 - 27 - 3.0/2740=4, ~2729=2...(9) HB3 ASP 30 - HD3 LYS 86 poor 10 92 - 11 - ~395=1, ~395=1 HB2 TYR 27 - HD3 LYS 86 lone 9 99 - 9 - ~8043=2 HB3 TRP 88 - HD3 LYS 86 lone 3 85 - 4 - Peak 2748 from aliabs.peaks (3.95, 3.06, 42.04 ppm; 3.87 A): 5 out of 32 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 94 100 - 94 - 6.3=23, 2675/3.9=15...(43) HA LYS 86 + HE3 LYS 86 OK 94 100 - 94 - 6.3=23, 2675/3.9=15...(43) HD3 PRO 129 + HE2 LYS 86 OK 66 100 - 66 - 2737/3.0=12, 2726/3.0=11...(19) HD3 PRO 129 + HE3 LYS 86 OK 66 100 - 66 - 2737/3.0=12, 2726/3.0=11...(19) HA LYS 86 + HE3 LYS 34 OK 45 69 - 65 - 2677/2.9=6, 2677/2.9=6...(30) HD3 PRO 129 - HB3 ASP 30 OK 29 80 - 36 - 9525/1.8=15, ~9527=5...(8) HA LEU 29 - HE2 LYS 86 OK 14 100 - 14 - 3.6/6138=3, 2737/3.0=2...(7) HA LEU 29 - HE3 LYS 86 OK 14 100 - 14 - 3.6/6138=3, 2737/3.0=2...(7) HA3 GLY 143 - HE2 LYS 86 lone 7 68 - 10 - 2726/3.0=1, 2737/3.0=1...(6) HA3 GLY 143 - HE3 LYS 86 lone 7 67 - 10 - 2726/3.0=1, 2737/3.0=1...(6) HA LYS 86 - HB3 ASP 30 lone 6 81 - 7 - 6130/3.8=2 HD3 PRO 129 - HE3 LYS 34 lone 5 69 - 8 - 2715/2722=1, 2726/2734=1 HA PHE 106 - HE2 LYS 86 lone 5 94 - 5 - 3428/3.9=1 HA PHE 106 - HE3 LYS 86 lone 5 94 - 5 - 3428/3.9=1 HA LEU 29 - HE3 LYS 34 lone 5 68 - 7 - 3.6/6138=1, 342/3.7=1 HA3 GLY 94 - HE2 LYS 86 lone 4 85 - 5 - 2726/3.0=1 HA3 GLY 94 - HE3 LYS 86 lone 4 85 - 5 - 2726/3.0=1 HA ALA 60 - HE2 LYS 86 lone 3 85 - 4 - HA ALA 60 - HE3 LYS 86 lone 3 85 - 4 - HA LEU 29 - HB3 ASP 30 lone 1 80 - 2 - HB3 SER 103 - HB3 ASP 30 lone 1 43 - 3 - 3393/4.4=1 HA ALA 60 - HE3 LYS 34 lone 1 52 - 1 - HA3 GLY 143 - HB3 ASP 30 lone 1 47 - 1 - HA3 GLY 94 - HB3 ASP 30 lone 1 62 - 1 - HB3 SER 103 - HE2 LYS 86 lone 1 62 - 1 - HB3 SER 103 - HE3 LYS 86 lone 1 62 - 1 - HA PHE 106 - HE3 LYS 34 lone 1 61 - 1 - HA ALA 60 - HB3 ASP 30 lone 1 62 - 1 - HA PHE 106 - HB3 ASP 30 lone 1 71 - 1 - HA3 GLY 94 - HE3 LYS 34 lone 1 52 - 1 - HA3 GLY 143 - HE3 LYS 34 lone 0 39 - 1 - HB3 SER 103 - HE3 LYS 34 lone 0 36 - 1 - Peak 2749 from aliabs.peaks (1.92, 3.06, 42.04 ppm; 3.42 A): 3 out of 40 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 4.9=35, 2687/3.0=14...(69) HB2 LYS 86 + HE3 LYS 86 OK 97 100 - 97 - 4.9=35, 2687/3.0=14...(67) HB2 LYS 86 + HE3 LYS 34 OK 55 69 - 79 - 2688/2.9=6, 2688/2.9=6...(57) HG3 PRO 12 - HE2 LYS 86 OK 20 100 - 21 - 2738/3.0=4, 2727/3.0=4...(8) HG3 PRO 12 - HE3 LYS 86 OK 20 100 - 20 - 2738/3.0=4, 2727/3.0=4...(8) HG13 ILE 83 - HE2 LYS 86 OK 18 94 - 20 - 2727/3.0=4, 2738/3.0=4...(7) HG13 ILE 83 - HE3 LYS 86 OK 18 94 - 19 - 2727/3.0=4, 2738/3.0=4...(7) QE MET 68 - HE2 LYS 86 OK 14 94 - 14 - 8450/1.8=2, 8450=2...(6) QE MET 68 - HE3 LYS 86 OK 14 94 - 14 - 8450/1.8=3, 8450=2...(6) QE MET 68 - HB3 ASP 30 poor 9 71 - 13 - 8419/3.8=7, 8450=3, 8422/1.8=3 HB ILE 136 - HE2 LYS 86 lone 5 72 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB2 PRO 118 - HE2 LYS 86 lone 5 92 - 5 - 2738/3.0=1, 2727/3.0=1 HB ILE 136 - HE3 LYS 86 lone 5 72 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB2 PRO 118 - HE3 LYS 86 lone 5 91 - 5 - 2738/3.0=1, 2727/3.0=1 HG3 PRO 12 - HE3 LYS 34 lone 4 69 - 6 - ~10808=2 HB2 ARG 140 - HE2 LYS 86 lone 4 98 - 4 - HB2 ARG 140 - HE3 LYS 86 lone 4 98 - 4 - HB2 MET 59 - HE2 LYS 86 lone 4 85 - 5 - 2727/3.0=1 HB2 PRO 118 - HE3 LYS 34 lone 4 58 - 7 - ~10807=2, ~10523=1 HB2 MET 59 - HE3 LYS 86 lone 4 85 - 5 - 2727/3.0=1 HB2 LYS 86 - HB3 ASP 30 lone 4 81 - 5 - QE MET 68 - HE3 LYS 34 lone 3 61 - 6 - 8450/1.8=1 HG13 ILE 83 - HE3 LYS 34 lone 3 61 - 4 - 2537/7.2=1 HB2 MET 59 - HE3 LYS 34 lone 2 52 - 4 - HB2 ARG 89 - HE2 LYS 86 lone 1 81 - 2 - HB2 ARG 89 - HE3 LYS 86 lone 1 81 - 2 - HG3 PRO 12 - HB3 ASP 30 lone 1 80 - 1 - HG13 ILE 83 - HB3 ASP 30 lone 1 71 - 1 - HB2 ARG 140 - HE3 LYS 34 lone 1 65 - 1 - HB ILE 136 - HE3 LYS 34 lone 1 43 - 1 - HB3 PRO 52 - HE2 LYS 86 lone 0 62 - 1 - HB3 PRO 52 - HE3 LYS 86 lone 0 62 - 1 - HB2 PRO 118 - HB3 ASP 30 lone 0 69 - 1 - HB2 ARG 140 - HB3 ASP 30 lone 0 76 - 0 - HB2 MET 59 - HB3 ASP 30 lone 0 62 - 0 - HB ILE 136 - HB3 ASP 30 lone 0 51 - 1 - HB2 ARG 89 - HE3 LYS 34 lone 0 49 - 1 - HB2 ARG 89 - HB3 ASP 30 lone 0 59 - 0 - HB3 PRO 52 - HB3 ASP 30 lone 0 43 - 0 - HB3 PRO 52 - HE3 LYS 34 lone 0 36 - 0 - Peak 2750 from aliabs.peaks (2.19, 3.06, 42.04 ppm; 3.64 A): 5 out of 24 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 99 100 - 99 - 4.9=42, 2728/3.0=14...(75) HB3 LYS 86 + HE3 LYS 86 OK 99 100 - 99 - 4.9=42, 2728/3.0=14...(73) HB3 LYS 86 + HE3 LYS 34 OK 58 69 - 84 - 2699/2.9=7, 2699/2.9=7...(57) HG2 PRO 129 + HE2 LYS 86 OK 47 85 - 55 - 2728/3.0=9, 2739/3.0=9...(17) HG2 PRO 129 + HE3 LYS 86 OK 46 85 - 55 - 2728/3.0=9, 2739/3.0=9...(17) HB3 PRO 57 - HE2 LYS 86 OK 37 96 - 38 - 2739/3.0=7, 2728/3.0=7...(12) HB3 PRO 57 - HE3 LYS 86 OK 36 96 - 37 - 2739/3.0=7, 2728/3.0=7...(12) HB3 PRO 57 - HE3 LYS 34 OK 25 63 - 40 - 1524/2.9=6, 1524/2.9=6...(18) HG2 PRO 129 - HB3 ASP 30 OK 18 62 - 29 - ~9525=8, ~9527=5...(9) HB2 GLN 25 - HE2 LYS 86 OK 12 89 - 14 - 2728/3.0=3, 2739/3.0=2...(5) HB2 GLN 25 - HE3 LYS 86 OK 12 88 - 14 - 2728/3.0=3, 2739/3.0=2...(5) HB2 MET 46 - HE2 LYS 86 lone 9 92 - 9 - 2739/3.0=1, 2728/3.0=1...(6) HB2 MET 46 - HE3 LYS 86 lone 9 91 - 9 - 2739/3.0=1, 2728/3.0=1...(6) HB2 MET 113 - HE2 LYS 86 lone 7 96 - 7 - 2739/3.0=1, 2728/3.0=1...(4) HB2 MET 113 - HE3 LYS 86 lone 7 96 - 7 - 2739/3.0=1, 2728/3.0=1...(4) HB3 LYS 86 - HB3 ASP 30 lone 5 81 - 6 - HG2 PRO 129 - HE3 LYS 34 lone 3 52 - 6 - HB2 GLN 25 - HE3 LYS 34 lone 2 55 - 4 - HB2 MET 46 - HE3 LYS 34 lone 2 58 - 4 - HB2 GLN 25 - HB3 ASP 30 lone 2 66 - 3 - 6133/3.8=2 HB2 MET 46 - HB3 ASP 30 lone 2 69 - 2 - 10704/3.8=1 HB2 MET 113 - HE3 LYS 34 lone 1 63 - 1 - HB3 PRO 57 - HB3 ASP 30 lone 1 74 - 1 - HB2 MET 113 - HB3 ASP 30 lone 1 74 - 1 - Peak 2751 from aliabs.peaks (1.39, 3.06, 42.04 ppm; 2.92 A): 3 out of 40 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 92 100 - 92 - 3.9=43, 1.8/2763=12...(54) HG2 LYS 86 + HE3 LYS 86 OK 92 100 - 92 - 3.9=43, 1.8/2763=12...(54) HG2 LYS 86 + HE3 LYS 34 OK 46 69 - 67 - 2712=6, 2710/2.9=5...(43) HG2 ARG 49 - HE2 LYS 86 OK 29 96 - 30 - 2729/3.0=4, 2740/3.0=4...(16) HG2 ARG 49 - HE3 LYS 86 OK 29 96 - 30 - 2729/3.0=4, 2740/3.0=4...(16) HB2 LEU 69 - HE2 LYS 86 OK 19 94 - 20 - 2729/3.0=4, 2740/3.0=3...(8) HB2 LEU 69 - HE3 LYS 86 OK 19 94 - 20 - 2729/3.0=4, 2740/3.0=3...(8) HB VAL 82 - HE2 LYS 86 OK 11 100 - 11 - 2729/3.0=2, 2740/3.0=2...(5) HB VAL 82 - HE3 LYS 86 OK 11 100 - 11 - 2729/3.0=2, 2740/3.0=2...(5) HB2 ARG 109 - HE2 LYS 86 lone 9 100 - 9 - 2729/3.0=2, 2740/3.0=2...(4) HB2 ARG 109 - HE3 LYS 86 lone 9 100 - 9 - 2729/3.0=2, 2740/3.0=2...(4) HG LEU 132 - HE2 LYS 86 poor 8 72 - 10 - 2729/3.0=2, 2740/3.0=2 HG LEU 132 - HE3 LYS 86 poor 8 72 - 10 - 2729/3.0=2, 2740/3.0=2 HG2 LYS 86 - HB3 ASP 30 lone 3 81 - 4 - HB VAL 82 - HB3 ASP 30 lone 3 80 - 3 - HG2 ARG 49 - HB3 ASP 30 lone 2 74 - 3 - HB3 LEU 39 - HE2 LYS 86 lone 2 68 - 3 - HB3 LEU 39 - HE3 LYS 86 lone 2 67 - 3 - HG LEU 116 - HE2 LYS 86 lone 2 72 - 3 - HG LEU 116 - HE3 LYS 86 lone 2 72 - 3 - HG2 ARG 49 - HE3 LYS 34 lone 2 63 - 3 - HB2 LEU 69 - HE3 LYS 34 lone 1 61 - 2 - HB2 ARG 35 - HB3 ASP 30 lone 1 43 - 3 - ~10922=1, 593/3.8=1 HB2 ARG 35 - HE2 LYS 86 lone 1 62 - 2 - HB2 ARG 35 - HE3 LYS 86 lone 1 62 - 2 - HG2 LYS 36 - HE2 LYS 86 lone 1 77 - 1 - HG2 LYS 36 - HE3 LYS 86 lone 1 77 - 1 - HB2 ARG 109 - HE3 LYS 34 lone 1 69 - 1 - HG LEU 116 - HB3 ASP 30 lone 1 51 - 2 - HB VAL 82 - HE3 LYS 34 lone 1 69 - 1 - HB3 LEU 39 - HB3 ASP 30 lone 1 47 - 2 - HG LEU 132 - HE3 LYS 34 lone 1 43 - 2 - HB3 LEU 39 - HE3 LYS 34 lone 0 39 - 1 - HB2 LEU 69 - HB3 ASP 30 lone 0 71 - 1 - HB2 ARG 109 - HB3 ASP 30 lone 0 80 - 0 - HG2 LYS 36 - HB3 ASP 30 lone 0 55 - 1 - HG LEU 116 - HE3 LYS 34 lone 0 43 - 1 - HG2 LYS 36 - HE3 LYS 34 lone 0 46 - 1 - HB2 ARG 35 - HE3 LYS 34 lone 0 36 - 1 - HG LEU 132 - HB3 ASP 30 lone 0 51 - 0 - Peak 2752 from aliabs.peaks (1.46, 3.06, 42.04 ppm; 3.06 A): 3 out of 24 assignments used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 95 100 - 95 - 3.9=49, 2730/3.0=17...(58) HG3 LYS 86 + HE3 LYS 86 OK 95 100 - 95 - 3.9=49, 2730/3.0=17...(57) HG3 LYS 86 + HE3 LYS 34 OK 49 69 - 71 - 2722=7, 2721/2.9=6...(49) HG LEU 126 - HE2 LYS 86 OK 24 100 - 24 - 2741/3.0=5, 2730/3.0=5...(8) HG LEU 126 - HE3 LYS 86 OK 24 100 - 24 - 2741/3.0=5, 2730/3.0=5...(8) HB3 LEU 66 - HE2 LYS 86 lone 10 100 - 10 - 2741/3.0=2, 2730/3.0=2...(5) HB3 LEU 66 - HE3 LYS 86 lone 10 99 - 10 - 2741/3.0=2, 2730/3.0=2...(5) HB3 LYS 114 - HE2 LYS 86 lone 6 85 - 7 - 2741/3.0=1, 2730/3.0=1 HB3 LYS 114 - HE3 LYS 86 lone 6 85 - 7 - 2741/3.0=1, 2730/3.0=1 HB2 LYS 76 - HE2 LYS 86 lone 5 77 - 6 - 2730/3.0=1, 2741/3.0=1 HB2 LYS 76 - HE3 LYS 86 lone 5 77 - 6 - 2730/3.0=1, 2741/3.0=1 HG3 LYS 86 - HB3 ASP 30 lone 3 81 - 4 - HG LEU 126 - HE3 LYS 34 lone 3 69 - 4 - HB3 LYS 114 - HB3 ASP 30 lone 2 62 - 3 - 10201/3.8=3 HB3 LYS 114 - HE3 LYS 34 lone 2 52 - 3 - 3761/3.7=1 HB3 LYS 123 - HE2 LYS 86 lone 1 72 - 2 - HB3 LYS 123 - HE3 LYS 86 lone 1 72 - 2 - HB3 LYS 123 - HE3 LYS 34 lone 1 43 - 3 - 4120/3.7=1 HB3 LEU 66 - HE3 LYS 34 lone 1 68 - 2 - HB3 LEU 66 - HB3 ASP 30 lone 1 79 - 1 - HG LEU 126 - HB3 ASP 30 lone 1 80 - 1 - HB2 LYS 76 - HE3 LYS 34 lone 0 46 - 1 - HB2 LYS 76 - HB3 ASP 30 lone 0 55 - 0 - HB3 LYS 123 - HB3 ASP 30 lone 0 51 - 0 - Peak 2753 from aliabs.peaks (1.70, 3.06, 42.04 ppm; 2.83 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 98 100 - 98 - 3.0=88, 2730/3.9=10...(64) HD2 LYS 86 + HE3 LYS 86 OK 98 100 - 98 - 3.0=88, 2730/3.9=10...(62) HD2 LYS 86 + HE3 LYS 34 OK 47 69 - 68 - 2734=9, 2732/2.9=6...(42) HB3 LEU 95 - HE2 LYS 86 OK 28 100 - 29 - 2742/3.0=5, 2709/3.9=4...(12) HB3 LEU 95 - HE3 LYS 86 OK 28 100 - 29 - 2742/3.0=5, 2709/3.9=4...(12) HG LEU 26 - HE2 LYS 86 OK 12 81 - 14 - 2742/3.0=2, 2.1/10565=2...(5) HG LEU 26 - HE3 LYS 86 OK 12 81 - 14 - 2742/3.0=2, 2.1/10565=2...(5) HD2 LYS 86 - HB3 ASP 30 poor 9 81 - 11 - 2733=1, ~395=1, ~395=1 HD2 LYS 93 - HE2 LYS 86 lone 8 96 - 8 - 2742/3.0=1, 2709/3.9=1 HD2 LYS 93 - HE3 LYS 86 lone 8 96 - 8 - 2742/3.0=1, 2709/3.9=1 HG LEU 26 - HE3 LYS 34 poor 6 49 - 13 - 2.1/10565=2, 4.3/10567=2...(6) HB3 LEU 95 - HE3 LYS 34 lone 2 68 - 3 - HD2 LYS 93 - HE3 LYS 34 lone 1 63 - 2 - HG LEU 26 - HB3 ASP 30 lone 1 59 - 1 - HB3 LEU 95 - HB3 ASP 30 lone 0 80 - 1 - HD2 LYS 93 - HB3 ASP 30 lone 0 74 - 1 - Peak 2754 from aliabs.peaks (1.80, 3.06, 42.04 ppm; 2.65 A): 8 out of 32 assignments used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 94 100 - 94 - 3.0=72, 1.8/2753=10...(59) HD3 LYS 86 + HE3 LYS 86 OK 94 100 - 94 - 3.0=72, 1.8/2764=10...(59) HD3 LYS 34 + HE3 LYS 34 OK 64 69 - 93 - 2.9=74, 556/1.8=6...(57) HD3 LYS 34 + HE2 LYS 86 OK 60 100 - 60 - 557=5, 2732/3.0=5...(34) HD3 LYS 34 + HE3 LYS 86 OK 59 100 - 59 - 2732/3.0=5, 557=5...(34) HD2 LYS 34 + HE2 LYS 86 OK 57 94 - 61 - 2732/3.0=5, 546=4...(34) HD2 LYS 34 + HE3 LYS 34 OK 56 61 - 92 - 2.9=74, 545/1.8=5...(57) HD2 LYS 34 + HE3 LYS 86 OK 55 94 - 59 - 2732/3.0=5, 546=4...(34) HD3 LYS 86 - HE3 LYS 34 OK 40 69 - 58 - 2744=8, 1.8/2734=5...(34) HG2 PRO 57 - HE2 LYS 86 OK 22 100 - 22 - 2732/3.0=2, 1531/4.9=2...(11) HG2 PRO 57 - HE3 LYS 86 OK 22 100 - 22 - 2732/3.0=2, 1531/4.9=2...(11) HG2 PRO 57 - HE3 LYS 34 OK 15 69 - 21 - 1533/3.7=2, ~1540=2...(10) HB2 LYS 24 - HE3 LYS 34 poor 8 36 - 22 - 10880/2.9=3, 3.0/11314=3...(10) HB3 LEU 72 - HE3 LYS 34 poor 8 58 - 13 - 2129/2.9=2, 2129/2.9=1...(4) HD3 LYS 86 - HB3 ASP 30 lone 8 81 - 9 - 2744=1, ~395=1 HB3 LEU 72 - HE2 LYS 86 lone 6 92 - 6 - HB3 LEU 72 - HE3 LYS 86 lone 6 91 - 6 - HB2 ARG 124 - HE3 LYS 34 poor 5 49 - 11 - HB2 ARG 124 - HE2 LYS 86 lone 4 81 - 4 - HB2 ARG 124 - HE3 LYS 86 lone 4 81 - 4 - HB2 LYS 24 - HE2 LYS 86 lone 3 62 - 5 - HB2 LYS 24 - HE3 LYS 86 lone 3 62 - 5 - HD3 LYS 34 - HB3 ASP 30 lone 2 81 - 2 - HB3 ARG 145 - HE2 LYS 86 lone 2 89 - 2 - HB3 ARG 145 - HE3 LYS 86 lone 2 88 - 2 - HD2 LYS 34 - HB3 ASP 30 lone 2 71 - 2 - HB3 ARG 145 - HE3 LYS 34 lone 2 55 - 3 - HB3 LEU 72 - HB3 ASP 30 lone 0 69 - 1 - HG2 PRO 57 - HB3 ASP 30 lone 0 80 - 0 - HB2 ARG 124 - HB3 ASP 30 lone 0 59 - 0 - HB2 LYS 24 - HB3 ASP 30 lone 0 43 - 0 - HB3 ARG 145 - HB3 ASP 30 lone 0 66 - 0 - Peak 2755 from aliabs.peaks (3.06, 3.06, 42.04 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HB3 ASP 30 + HB3 ASP 30 OK 71 71 - 100 HE3 LYS 34 + HE3 LYS 34 OK 63 63 - 100 Peak 2756 from aliabs.peaks (3.06, 3.06, 42.04 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HB3 ASP 30 + HB3 ASP 30 OK 69 69 - 100 HE3 LYS 34 + HE3 LYS 34 OK 65 65 - 100 Reference assignment not found: HE3 LYS 86 - HE2 LYS 86 Peak 2759 from aliabs.peaks (3.95, 3.06, 42.04 ppm; 3.87 A): 5 out of 40 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 94 100 - 94 - 6.3=23, 2675/3.9=15...(43) HA LYS 86 + HE2 LYS 86 OK 94 100 - 94 - 6.3=23, 2675/3.9=15...(43) HD3 PRO 129 + HE3 LYS 86 OK 66 100 - 66 - 2737/3.0=12, 2726/3.0=11...(19) HD3 PRO 129 + HE2 LYS 86 OK 66 100 - 66 - 2737/3.0=12, 2726/3.0=11...(19) HA LYS 86 + HE3 LYS 34 OK 49 74 - 65 - 2677/2.9=6, 2677/2.9=6...(30) HA LYS 86 - HE2 LYS 34 OK 34 50 - 67 - 2677/2.9=6, 2677/2.9=6...(32) HD3 PRO 129 - HB3 ASP 30 OK 26 73 - 36 - 9525/1.8=15, ~9527=5...(8) HA LEU 29 - HE3 LYS 86 OK 14 100 - 14 - 3.6/6138=3, 2737/3.0=2...(7) HA LEU 29 - HE2 LYS 86 OK 14 100 - 14 - 3.6/6138=3, 2737/3.0=2...(7) HA3 GLY 143 - HE2 LYS 86 lone 7 67 - 10 - 2726/3.0=1, 2737/3.0=1...(6) HA3 GLY 143 - HE3 LYS 86 lone 7 68 - 10 - 2726/3.0=1, 2737/3.0=1...(6) HD3 PRO 129 - HE3 LYS 34 lone 6 74 - 8 - 2715/2722=1, 2726/2734=1 HA LYS 86 - HB3 ASP 30 lone 5 73 - 7 - 6130/3.8=2 HA PHE 106 - HE3 LYS 86 lone 5 94 - 5 - 3428/3.9=1 HA PHE 106 - HE2 LYS 86 lone 5 94 - 5 - 3428/3.9=1 HA LEU 29 - HE3 LYS 34 lone 5 74 - 7 - 3.6/6138=1, 342/3.7=1 HA3 GLY 94 - HE3 LYS 86 lone 4 85 - 5 - 2726/3.0=1 HA3 GLY 94 - HE2 LYS 86 lone 4 85 - 5 - 2726/3.0=1 HD3 PRO 129 - HE2 LYS 34 lone 4 50 - 7 - HA ALA 60 - HE3 LYS 86 lone 3 85 - 4 - HA ALA 60 - HE2 LYS 86 lone 3 85 - 4 - HA LEU 29 - HE2 LYS 34 lone 3 50 - 6 - 3.6/6138=1, 342/3.7=1 HA LEU 29 - HB3 ASP 30 lone 1 73 - 2 - HB3 SER 103 - HB3 ASP 30 lone 1 39 - 3 - 3393/4.4=1 HA ALA 60 - HE3 LYS 34 lone 1 57 - 1 - HA PHE 106 - HE3 LYS 34 lone 1 65 - 1 - HB3 SER 103 - HE3 LYS 86 lone 1 62 - 1 - HB3 SER 103 - HE2 LYS 86 lone 1 62 - 1 - HA3 GLY 94 - HE3 LYS 34 lone 1 57 - 1 - HA3 GLY 94 - HB3 ASP 30 lone 1 56 - 1 - HA3 GLY 143 - HB3 ASP 30 lone 1 42 - 1 - HA ALA 60 - HB3 ASP 30 lone 1 56 - 1 - HA3 GLY 143 - HE3 LYS 34 lone 1 43 - 1 - HA PHE 106 - HB3 ASP 30 lone 1 64 - 1 - HA ALA 60 - HE2 LYS 34 lone 0 37 - 1 - HA PHE 106 - HE2 LYS 34 lone 0 43 - 1 - HA3 GLY 94 - HE2 LYS 34 lone 0 37 - 1 - HA3 GLY 143 - HE2 LYS 34 lone 0 27 - 1 - HB3 SER 103 - HE3 LYS 34 lone 0 39 - 1 - HB3 SER 103 - HE2 LYS 34 lone 0 25 - 0 - Peak 2760 from aliabs.peaks (1.92, 3.06, 42.04 ppm; 3.42 A): 3 out of 50 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 97 100 - 97 - 4.9=35, 2687/3.0=14...(67) HB2 LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 4.9=35, 2687/3.0=14...(69) HB2 LYS 86 + HE3 LYS 34 OK 59 74 - 79 - 2688/2.9=6, 2688/2.9=6...(57) HB2 LYS 86 - HE2 LYS 34 OK 41 50 - 82 - 2688/2.9=6, 2688/2.9=6...(62) HG3 PRO 12 - HE2 LYS 86 OK 20 100 - 21 - 2738/3.0=4, 2727/3.0=4...(8) HG3 PRO 12 - HE3 LYS 86 OK 20 100 - 20 - 2738/3.0=4, 2727/3.0=4...(8) HG13 ILE 83 - HE3 LYS 86 OK 18 94 - 19 - 2727/3.0=4, 2738/3.0=4...(7) HG13 ILE 83 - HE2 LYS 86 OK 18 94 - 19 - 2727/3.0=4, 2738/3.0=4...(7) QE MET 68 - HE3 LYS 86 OK 14 94 - 14 - 8450/1.8=3, 8450=2...(6) QE MET 68 - HE2 LYS 86 OK 14 94 - 14 - 8450/1.8=2, 8450=2...(6) QE MET 68 - HB3 ASP 30 poor 8 64 - 13 - 8419/3.8=7, 8450=3, 8422/1.8=3 HB ILE 136 - HE3 LYS 86 lone 5 72 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB ILE 136 - HE2 LYS 86 lone 5 72 - 7 - 2738/3.0=1, 2727/3.0=1...(4) HB2 PRO 118 - HE3 LYS 86 lone 5 92 - 5 - 2738/3.0=1, 2727/3.0=1 HB2 PRO 118 - HE2 LYS 86 lone 5 91 - 5 - 2738/3.0=1, 2727/3.0=1 HG3 PRO 12 - HE3 LYS 34 lone 5 74 - 6 - ~10808=2 HB2 PRO 118 - HE3 LYS 34 lone 5 63 - 7 - ~10807=2, ~10523=1 HB2 ARG 140 - HE3 LYS 86 lone 4 98 - 4 - HB2 ARG 140 - HE2 LYS 86 lone 4 98 - 4 - HB2 MET 59 - HE3 LYS 86 lone 4 85 - 5 - 2727/3.0=1 HB2 MET 59 - HE2 LYS 86 lone 4 85 - 5 - 2727/3.0=1 HB2 LYS 86 - HB3 ASP 30 lone 4 73 - 5 - QE MET 68 - HE3 LYS 34 lone 4 65 - 6 - 8450/1.8=1 HG3 PRO 12 - HE2 LYS 34 lone 3 50 - 6 - ~10808=2 HB2 PRO 118 - HE2 LYS 34 lone 3 41 - 7 - ~10807=2, ~10523=1 HG13 ILE 83 - HE3 LYS 34 lone 3 65 - 4 - 2537/7.2=1 HB2 MET 59 - HE3 LYS 34 lone 2 57 - 4 - QE MET 68 - HE2 LYS 34 lone 2 43 - 4 - HG13 ILE 83 - HE2 LYS 34 lone 2 43 - 4 - 2537/7.2=1 HB2 ARG 89 - HE3 LYS 86 lone 1 81 - 2 - HB2 ARG 89 - HE2 LYS 86 lone 1 81 - 2 - HB2 MET 59 - HE2 LYS 34 lone 1 37 - 4 - HG3 PRO 12 - HB3 ASP 30 lone 1 73 - 1 - HG13 ILE 83 - HB3 ASP 30 lone 1 64 - 1 - HB ILE 136 - HE3 LYS 34 lone 1 46 - 1 - HB2 ARG 140 - HE3 LYS 34 lone 1 70 - 1 - HB3 PRO 52 - HE3 LYS 86 lone 0 62 - 1 - HB3 PRO 52 - HE2 LYS 86 lone 0 62 - 1 - HB2 ARG 140 - HE2 LYS 34 lone 0 47 - 1 - HB ILE 136 - HE2 LYS 34 lone 0 30 - 1 - HB2 PRO 118 - HB3 ASP 30 lone 0 62 - 1 - HB2 ARG 140 - HB3 ASP 30 lone 0 69 - 0 - HB2 ARG 89 - HE3 LYS 34 lone 0 54 - 1 - HB2 MET 59 - HB3 ASP 30 lone 0 56 - 0 - HB ILE 136 - HB3 ASP 30 lone 0 46 - 1 - HB2 ARG 89 - HB3 ASP 30 lone 0 53 - 0 - HB3 PRO 52 - HE3 LYS 34 lone 0 39 - 0 - HB2 ARG 89 - HE2 LYS 34 lone 0 35 - 0 - HB3 PRO 52 - HB3 ASP 30 lone 0 39 - 0 - HB3 PRO 52 - HE2 LYS 34 lone 0 25 - 0 - Peak 2761 from aliabs.peaks (2.19, 3.06, 42.04 ppm; 3.64 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 86 + HE3 LYS 86 OK 99 100 - 99 - 4.9=42, 2728/3.0=14...(73) HB3 LYS 86 + HE2 LYS 86 OK 99 100 - 99 - 4.9=42, 2728/3.0=14...(75) HB3 LYS 86 + HE3 LYS 34 OK 62 74 - 84 - 2699/2.9=7, 2699/2.9=7...(57) HG2 PRO 129 + HE3 LYS 86 OK 47 85 - 55 - 2728/3.0=9, 2739/3.0=9...(17) HG2 PRO 129 + HE2 LYS 86 OK 46 85 - 55 - 2728/3.0=9, 2739/3.0=9...(17) HB3 LYS 86 - HE2 LYS 34 OK 43 50 - 86 - 2699/2.9=7, 2699/2.9=7...(62) HB3 PRO 57 - HE2 LYS 86 OK 37 96 - 38 - 2739/3.0=7, 2728/3.0=7...(12) HB3 PRO 57 - HE3 LYS 86 OK 36 96 - 37 - 2739/3.0=7, 2728/3.0=7...(12) HB3 PRO 57 - HE3 LYS 34 OK 28 68 - 41 - 1524/2.9=6, 1524/2.9=6...(18) HB3 PRO 57 - HE2 LYS 34 OK 18 45 - 41 - 1524/2.9=6, 1524/2.9=6...(18) HG2 PRO 129 - HB3 ASP 30 OK 16 56 - 29 - ~9525=8, ~9527=5...(9) HB2 GLN 25 - HE3 LYS 86 OK 12 89 - 14 - 2728/3.0=3, 2739/3.0=2...(5) HB2 GLN 25 - HE2 LYS 86 OK 12 88 - 14 - 2728/3.0=3, 2739/3.0=2...(5) HB2 MET 46 - HE3 LYS 86 lone 9 92 - 9 - 2739/3.0=1, 2728/3.0=1...(6) HB2 MET 46 - HE2 LYS 86 lone 9 91 - 9 - 2739/3.0=1, 2728/3.0=1...(6) HB2 MET 113 - HE3 LYS 86 lone 7 96 - 7 - 2739/3.0=1, 2728/3.0=1...(4) HB2 MET 113 - HE2 LYS 86 lone 7 96 - 7 - 2739/3.0=1, 2728/3.0=1...(4) HB3 LYS 86 - HB3 ASP 30 lone 4 73 - 6 - HG2 PRO 129 - HE3 LYS 34 lone 3 57 - 6 - HB2 GLN 25 - HE3 LYS 34 lone 3 60 - 4 - HB2 MET 46 - HE3 LYS 34 lone 2 63 - 4 - HG2 PRO 129 - HE2 LYS 34 lone 2 37 - 5 - HB2 GLN 25 - HE2 LYS 34 lone 2 39 - 4 - HB2 GLN 25 - HB3 ASP 30 lone 2 59 - 3 - 6133/3.8=2 HB2 MET 46 - HE2 LYS 34 lone 2 41 - 4 - HB2 MET 46 - HB3 ASP 30 lone 1 62 - 2 - 10704/3.8=1 HB2 MET 113 - HE3 LYS 34 lone 1 68 - 1 - HB3 PRO 57 - HB3 ASP 30 lone 1 67 - 1 - HB2 MET 113 - HE2 LYS 34 lone 1 45 - 1 - HB2 MET 113 - HB3 ASP 30 lone 1 67 - 1 - Peak 2762 from aliabs.peaks (1.39, 3.06, 42.04 ppm; 2.92 A): 3 out of 50 assignments used, quality = 1.00: HG2 LYS 86 + HE2 LYS 86 OK 92 100 - 92 - 3.9=43, 1.8/2763=12...(54) * HG2 LYS 86 + HE3 LYS 86 OK 92 100 - 92 - 3.9=43, 1.8/2763=12...(54) HG2 LYS 86 + HE3 LYS 34 OK 50 74 - 67 - 2712=6, 2710/2.9=5...(43) HG2 LYS 86 - HE2 LYS 34 OK 35 50 - 70 - 2712=6, 2710/2.9=5...(48) HG2 ARG 49 - HE3 LYS 86 OK 28 96 - 29 - 2729/3.0=4, 2740/3.0=4...(14) HG2 ARG 49 - HE2 LYS 86 OK 28 96 - 29 - 2729/3.0=4, 2740/3.0=4...(13) HB2 LEU 69 - HE3 LYS 86 OK 19 94 - 20 - 2729/3.0=4, 2740/3.0=3...(8) HB2 LEU 69 - HE2 LYS 86 OK 19 94 - 20 - 2729/3.0=4, 2740/3.0=3...(8) HB VAL 82 - HE2 LYS 86 OK 11 100 - 11 - 2729/3.0=2, 2740/3.0=2...(5) HB VAL 82 - HE3 LYS 86 OK 11 100 - 11 - 2729/3.0=2, 2740/3.0=2...(5) HB2 ARG 109 - HE2 LYS 86 lone 9 100 - 9 - 2729/3.0=2, 2740/3.0=2...(4) HB2 ARG 109 - HE3 LYS 86 lone 9 100 - 9 - 2729/3.0=2, 2740/3.0=2...(4) HG LEU 132 - HE3 LYS 86 poor 8 72 - 10 - 2729/3.0=2, 2740/3.0=2 HG LEU 132 - HE2 LYS 86 poor 8 72 - 10 - 2729/3.0=2, 2740/3.0=2 HG2 LYS 86 - HB3 ASP 30 lone 3 73 - 4 - HB VAL 82 - HB3 ASP 30 lone 2 73 - 3 - HG2 ARG 49 - HE3 LYS 34 lone 2 68 - 3 - HB3 LEU 39 - HE2 LYS 86 lone 2 67 - 3 - HB3 LEU 39 - HE3 LYS 86 lone 2 68 - 3 - HG LEU 116 - HE2 LYS 86 lone 2 72 - 3 - HG LEU 116 - HE3 LYS 86 lone 2 72 - 3 - HG2 ARG 49 - HB3 ASP 30 lone 2 67 - 3 - HG2 ARG 49 - HE2 LYS 34 lone 1 45 - 3 - HB2 LEU 69 - HE3 LYS 34 lone 1 65 - 2 - HB2 ARG 35 - HE2 LYS 86 lone 1 62 - 2 - HB2 ARG 35 - HE3 LYS 86 lone 1 62 - 2 - HB2 ARG 35 - HB3 ASP 30 lone 1 39 - 3 - ~10922=1, 593/3.8=1 HB2 ARG 109 - HE3 LYS 34 lone 1 74 - 1 - HG2 LYS 36 - HE2 LYS 86 lone 1 77 - 1 - HG2 LYS 36 - HE3 LYS 86 lone 1 77 - 1 - HB2 LEU 69 - HE2 LYS 34 lone 1 43 - 2 - HB VAL 82 - HE3 LYS 34 lone 1 74 - 1 - HG LEU 132 - HE3 LYS 34 lone 1 46 - 2 - HG LEU 116 - HB3 ASP 30 lone 1 46 - 2 - HB3 LEU 39 - HB3 ASP 30 lone 1 42 - 2 - HB2 ARG 109 - HE2 LYS 34 lone 1 50 - 1 - HB VAL 82 - HE2 LYS 34 lone 1 50 - 1 - HG LEU 132 - HE2 LYS 34 lone 1 30 - 2 - HB3 LEU 39 - HE3 LYS 34 lone 0 43 - 1 - HB2 ARG 109 - HB3 ASP 30 lone 0 73 - 0 - HB2 LEU 69 - HB3 ASP 30 lone 0 64 - 1 - HG2 LYS 36 - HB3 ASP 30 lone 0 49 - 1 - HG LEU 116 - HE3 LYS 34 lone 0 46 - 1 - HG2 LYS 36 - HE3 LYS 34 lone 0 50 - 1 - HB2 ARG 35 - HE3 LYS 34 lone 0 39 - 1 - HG LEU 116 - HE2 LYS 34 lone 0 30 - 1 - HG LEU 132 - HB3 ASP 30 lone 0 46 - 0 - HG2 LYS 36 - HE2 LYS 34 lone 0 32 - 1 - HB2 ARG 35 - HE2 LYS 34 lone 0 25 - 1 - HB3 LEU 39 - HE2 LYS 34 lone 0 27 - 1 - Peak 2763 from aliabs.peaks (1.46, 3.06, 42.04 ppm; 3.06 A): 3 out of 30 assignments used, quality = 1.00: HG3 LYS 86 + HE2 LYS 86 OK 95 100 - 95 - 3.9=49, 2730/3.0=17...(58) * HG3 LYS 86 + HE3 LYS 86 OK 95 100 - 95 - 3.9=49, 2730/3.0=17...(57) HG3 LYS 86 + HE3 LYS 34 OK 53 74 - 71 - 2722=7, 2721/2.9=6...(49) HG3 LYS 86 - HE2 LYS 34 OK 37 50 - 74 - 2722=6, 2721/2.9=6...(50) HG LEU 126 - HE3 LYS 86 OK 24 100 - 24 - 2741/3.0=5, 2730/3.0=5...(8) HG LEU 126 - HE2 LYS 86 OK 24 100 - 24 - 2741/3.0=5, 2730/3.0=5...(8) HB3 LEU 66 - HE2 LYS 86 lone 10 99 - 10 - 2741/3.0=2, 2730/3.0=2...(5) HB3 LEU 66 - HE3 LYS 86 lone 10 100 - 10 - 2741/3.0=2, 2730/3.0=2...(5) HB3 LYS 114 - HE2 LYS 86 lone 6 85 - 7 - 2741/3.0=1, 2730/3.0=1 HB3 LYS 114 - HE3 LYS 86 lone 6 85 - 7 - 2741/3.0=1, 2730/3.0=1 HB2 LYS 76 - HE3 LYS 86 lone 5 77 - 6 - 2730/3.0=1, 2741/3.0=1 HB2 LYS 76 - HE2 LYS 86 lone 5 77 - 6 - 2730/3.0=1, 2741/3.0=1 HG3 LYS 86 - HB3 ASP 30 lone 3 73 - 4 - HG LEU 126 - HE3 LYS 34 lone 3 74 - 4 - HB3 LYS 114 - HE3 LYS 34 lone 2 57 - 3 - 3761/3.7=1 HB3 LYS 114 - HB3 ASP 30 lone 2 56 - 3 - 10201/3.8=3 HG LEU 126 - HE2 LYS 34 lone 2 50 - 3 - HB3 LYS 123 - HE2 LYS 86 lone 1 72 - 2 - HB3 LYS 123 - HE3 LYS 86 lone 1 72 - 2 - HB3 LYS 123 - HE3 LYS 34 lone 1 46 - 3 - 4120/3.7=1 HB3 LEU 66 - HE3 LYS 34 lone 1 73 - 2 - HB3 LYS 114 - HE2 LYS 34 lone 1 37 - 3 - 3761/3.7=1 HB3 LEU 66 - HB3 ASP 30 lone 1 72 - 1 - HB3 LYS 123 - HE2 LYS 34 lone 1 30 - 3 - 4120/3.7=1 HB3 LEU 66 - HE2 LYS 34 lone 1 49 - 1 - HG LEU 126 - HB3 ASP 30 lone 0 73 - 1 - HB2 LYS 76 - HE3 LYS 34 lone 0 50 - 1 - HB2 LYS 76 - HE2 LYS 34 lone 0 32 - 1 - HB2 LYS 76 - HB3 ASP 30 lone 0 49 - 0 - HB3 LYS 123 - HB3 ASP 30 lone 0 46 - 0 - Peak 2764 from aliabs.peaks (1.70, 3.06, 42.04 ppm; 2.83 A): 3 out of 20 assignments used, quality = 1.00: * HD2 LYS 86 + HE3 LYS 86 OK 98 100 - 98 - 3.0=88, 2730/3.9=10...(62) HD2 LYS 86 + HE2 LYS 86 OK 98 100 - 98 - 3.0=88, 2730/3.9=10...(64) HD2 LYS 86 + HE3 LYS 34 OK 51 74 - 68 - 2734=9, 2732/2.9=6...(42) HD2 LYS 86 - HE2 LYS 34 OK 35 50 - 70 - 2734=8, 2734/1.8=6...(49) HB3 LEU 95 - HE3 LYS 86 OK 28 100 - 29 - 2742/3.0=5, 2709/3.9=4...(12) HB3 LEU 95 - HE2 LYS 86 OK 28 100 - 29 - 2742/3.0=5, 2709/3.9=4...(12) HG LEU 26 - HE3 LYS 86 OK 12 81 - 14 - 2742/3.0=2, 2.1/10565=2...(5) HG LEU 26 - HE2 LYS 86 OK 12 81 - 14 - 2742/3.0=2, 2.1/10565=2...(5) HD2 LYS 86 - HB3 ASP 30 poor 8 73 - 11 - 2733=1, ~395=1, ~395=1 HD2 LYS 93 - HE3 LYS 86 lone 8 96 - 8 - 2742/3.0=1, 2709/3.9=1 HD2 LYS 93 - HE2 LYS 86 lone 8 96 - 8 - 2742/3.0=1, 2709/3.9=1 HG LEU 26 - HE3 LYS 34 poor 7 54 - 13 - 2.1/10565=2, 4.3/10567=2...(6) HG LEU 26 - HE2 LYS 34 poor 4 35 - 12 - 4.3/10567=2, 2.1/10565=2...(5) HB3 LEU 95 - HE3 LYS 34 lone 2 74 - 3 - HB3 LEU 95 - HE2 LYS 34 lone 1 50 - 2 - HD2 LYS 93 - HE3 LYS 34 lone 1 68 - 2 - HD2 LYS 93 - HE2 LYS 34 lone 1 45 - 1 - HG LEU 26 - HB3 ASP 30 lone 1 53 - 1 - HB3 LEU 95 - HB3 ASP 30 lone 0 73 - 1 - HD2 LYS 93 - HB3 ASP 30 lone 0 67 - 1 - Peak 2765 from aliabs.peaks (1.80, 3.06, 42.04 ppm; 2.65 A): 9 out of 40 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 94 100 - 94 - 3.0=72, 1.8/2764=10...(59) HD3 LYS 86 + HE2 LYS 86 OK 94 100 - 94 - 3.0=72, 1.8/2764=10...(59) HD3 LYS 34 + HE3 LYS 34 OK 69 74 - 93 - 2.9=74, 556/1.8=6...(57) HD2 LYS 34 + HE3 LYS 34 OK 61 65 - 93 - 2.9=74, 2.9/574=5...(57) HD3 LYS 34 + HE2 LYS 86 OK 61 100 - 61 - 557=5, 2732/3.0=5...(34) HD3 LYS 34 + HE3 LYS 86 OK 59 100 - 59 - 557=5, 2732/3.0=5...(34) HD2 LYS 34 + HE2 LYS 86 OK 57 94 - 61 - 2732/3.0=5, 546=5...(34) HD2 LYS 34 + HE3 LYS 86 OK 56 94 - 59 - 2732/3.0=5, 546=4...(34) HD3 LYS 34 + HE2 LYS 34 OK 46 50 - 93 - 2.9=74, 556/1.8=6...(57) HD3 LYS 86 - HE3 LYS 34 OK 43 74 - 58 - 2744=8, 1.8/2734=5...(34) HD2 LYS 34 - HE2 LYS 34 OK 40 43 - 92 - 2.9=74, 2.9/574=5...(57) HD3 LYS 86 - HE2 LYS 34 OK 31 50 - 61 - 2745=7, 2745/1.8=5...(38) HG2 PRO 57 - HE2 LYS 86 OK 22 100 - 22 - 2732/3.0=2, 1531/4.9=2...(11) HG2 PRO 57 - HE3 LYS 86 OK 22 100 - 22 - 2732/3.0=2, 1531/4.9=2...(11) HG2 PRO 57 - HE3 LYS 34 OK 16 74 - 21 - 1533/3.7=2, ~1540=2...(10) HG2 PRO 57 - HE2 LYS 34 OK 11 50 - 21 - 1533/3.7=2, ~1540=2...(9) HB2 LYS 24 - HE3 LYS 34 poor 9 39 - 22 - 10880/2.9=3, 3.0/11314=3...(10) HB3 LEU 72 - HE3 LYS 34 poor 8 63 - 13 - 2129/2.9=2, 2129/2.9=1...(4) HD3 LYS 86 - HB3 ASP 30 lone 7 73 - 9 - 2744=1, ~395=1 HB2 ARG 124 - HE3 LYS 34 poor 6 54 - 11 - HB3 LEU 72 - HE3 LYS 86 lone 6 92 - 6 - HB3 LEU 72 - HE2 LYS 86 lone 6 91 - 6 - HB3 LEU 72 - HE2 LYS 34 poor 5 41 - 13 - 2129/2.9=2, 2129/2.9=1...(4) HB2 LYS 24 - HE2 LYS 34 poor 5 25 - 22 - 10880/2.9=3, 3.0/11314=3...(10) HB2 ARG 124 - HE2 LYS 34 poor 4 35 - 11 - HB2 ARG 124 - HE3 LYS 86 lone 4 81 - 4 - HB2 ARG 124 - HE2 LYS 86 lone 4 81 - 4 - HB2 LYS 24 - HE3 LYS 86 lone 4 62 - 6 - HB2 LYS 24 - HE2 LYS 86 lone 3 62 - 6 - HB3 ARG 145 - HE3 LYS 86 lone 2 89 - 2 - HB3 ARG 145 - HE2 LYS 86 lone 2 88 - 2 - HD3 LYS 34 - HB3 ASP 30 lone 2 73 - 2 - HB3 ARG 145 - HE3 LYS 34 lone 2 60 - 3 - HD2 LYS 34 - HB3 ASP 30 lone 2 64 - 2 - HB3 ARG 145 - HE2 LYS 34 lone 1 39 - 3 - HB3 LEU 72 - HB3 ASP 30 lone 0 62 - 1 - HG2 PRO 57 - HB3 ASP 30 lone 0 73 - 0 - HB2 ARG 124 - HB3 ASP 30 lone 0 53 - 0 - HB2 LYS 24 - HB3 ASP 30 lone 0 39 - 0 - HB3 ARG 145 - HB3 ASP 30 lone 0 59 - 0 - Peak 2766 from aliabs.peaks (3.06, 3.06, 42.04 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HE3 LYS 34 + HE3 LYS 34 OK 68 68 - 100 HB3 ASP 30 + HB3 ASP 30 OK 64 64 - 100 HE2 LYS 34 - HE2 LYS 34 OK 37 37 - 100 Reference assignment not found: HE2 LYS 86 - HE3 LYS 86 Peak 2767 from aliabs.peaks (3.06, 3.06, 42.04 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HE3 LYS 34 + HE3 LYS 34 OK 70 70 - 100 HB3 ASP 30 + HB3 ASP 30 OK 62 62 - 100 HE2 LYS 34 - HE2 LYS 34 OK 39 39 - 100 Peak 2770 from aliabs.peaks (4.64, 4.64, 53.94 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA LEU 87 + HA LEU 87 OK 100 100 - 100 HA ARG 124 - HA ARG 124 OK 30 30 - 100 Peak 2771 from aliabs.peaks (1.62, 4.64, 53.94 ppm; 3.69 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LEU 87 + HA LEU 87 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HA LEU 87 OK 52 92 - 57 - 2778=7, 3.1/11244=6...(30) HD2 LYS 24 - HA LEU 87 OK 36 92 - 39 - 3.0/2773=5, 11365/4.3=5...(16) HG3 LYS 34 - HA LEU 87 OK 27 92 - 29 - 2.9/10519=5, 2.9/10799=4...(12) HG3 ARG 49 - HA LEU 87 OK 22 96 - 23 - ~6994=3, 7001/3.0=3...(9) HG3 LYS 48 - HA LEU 87 OK 17 96 - 18 - 2811/4.0=3, 2803/4.1=3...(6) HG3 LYS 34 - HA ARG 124 OK 11 32 - 34 - 2.9/10799=11, 528/3.0=3...(14) HG3 ARG 144 - HA LEU 87 OK 10 99 - 10 - 2811/4.0=1, 2787/3.0=1 HG LEU 108 - HA LEU 87 poor 9 72 - 13 - 7010/3.6=2, 2787/3.0=1, ~3505=1 HB3 LEU 64 - HA ARG 124 poor 7 32 - 21 - 3.1/11244=3, ~9483=2...(10) HB2 LEU 97 - HA LEU 87 lone 6 62 - 9 - 7010/3.6=1, 2787/3.0=1 HB2 LEU 87 - HA ARG 124 poor 5 39 - 12 - 2778=2, 1.8/2786=1...(6) HG2 ARG 141 - HA LEU 87 lone 2 68 - 3 - HG3 LYS 48 - HA ARG 124 lone 1 35 - 3 - HD2 LYS 24 - HA ARG 124 lone 1 32 - 3 - HG2 ARG 141 - HA ARG 124 lone 1 21 - 3 - HG3 ARG 49 - HA ARG 124 lone 1 35 - 2 - HG LEU 108 - HA ARG 124 lone 0 23 - 2 - HB2 LEU 97 - HA ARG 124 lone 0 19 - 2 - HG3 ARG 144 - HA ARG 124 lone 0 37 - 1 - Peak 2772 from aliabs.peaks (1.24, 4.64, 53.94 ppm; 4.13 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 87 + HA LEU 87 OK 100 100 - 100 - 3.0=100 HG12 ILE 101 + HA LEU 87 OK 58 99 - 59 - 2812/4.0=8, 2804/4.1=8...(16) HD3 LYS 123 + HA LEU 87 OK 46 89 - 52 - ~11412=9, 2.9/10055=8...(19) HG12 ILE 58 - HA LEU 87 OK 41 98 - 42 - 2804/4.1=6, 1.8/2773=5...(17) HG13 ILE 58 - HA LEU 87 OK 28 81 - 34 - 2804/4.1=4, 2812/4.0=4...(15) HB3 LEU 87 - HA ARG 124 poor 5 39 - 14 - 2786=2, 1.8/2778=2...(6) HD3 LYS 123 - HA ARG 124 lone 3 30 - 10 - ~9470=2, ~9468=2...(5) HG12 ILE 101 - HA ARG 124 lone 1 37 - 3 - HG12 ILE 58 - HA ARG 124 lone 1 36 - 2 - HG13 ILE 58 - HA ARG 124 lone 1 27 - 2 - Peak 2773 from aliabs.peaks (1.31, 4.64, 53.94 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.97: * HG LEU 87 + HA LEU 87 OK 97 100 - 97 - 4.3=77, 2.1/2802=34...(18) HG3 LYS 24 - HA LEU 87 OK 45 96 - 47 - 11337/3.0=8, 2789/3.0=8...(15) HG LEU 79 - HA LEU 87 OK 34 100 - 34 - 2789/3.0=8, 2813/4.0=7...(9) HG12 ILE 83 - HA LEU 87 OK 28 85 - 33 - 7012/3.6=5, 2789/3.0=4...(12) HG LEU 79 - HA ARG 124 OK 16 38 - 42 - ~8735=7, ~9483=5...(16) HG LEU 87 - HA ARG 124 lone 4 39 - 9 - 2.1/2810=2, 2.1/2802=2...(4) HG3 LYS 24 - HA ARG 124 lone 2 35 - 5 - HG12 ILE 83 - HA ARG 124 lone 2 29 - 6 - ~10027=2 Peak 2774 from aliabs.peaks (0.71, 4.64, 53.94 ppm; 2.98 A): 2 out of 4 assignments used, quality = 0.93: * QD2 LEU 87 + HA LEU 87 OK 82 100 - 82 - 4.1=39, 2801/3.0=14...(17) QD1 LEU 87 + HA LEU 87 OK 63 77 - 82 - 4.0=40, 2.1/2802=26...(18) QD2 LEU 87 - HA ARG 124 lone 2 39 - 6 - 2802=2, 2.1/2810=1 QD1 LEU 87 - HA ARG 124 lone 1 25 - 5 - 2.1/2802=1 Peak 2775 from aliabs.peaks (0.72, 4.64, 53.94 ppm; 2.84 A): 2 out of 4 assignments used, quality = 0.91: * QD1 LEU 87 + HA LEU 87 OK 80 100 - 80 - 4.0=35, 2.1/2802=24...(18) QD2 LEU 87 + HA LEU 87 OK 56 77 - 73 - 4.1=34, 2.1/2810=12...(17) QD1 LEU 87 - HA ARG 124 lone 2 39 - 5 - 2.1/2802=1, 2810=1 QD2 LEU 87 - HA ARG 124 lone 1 25 - 5 - 2802=1 Peak 2778 from aliabs.peaks (4.64, 1.62, 42.12 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB3 LEU 64 OK 47 70 - 68 - 2771=9, 11244/3.1=9...(31) HA ASP 32 - HB2 LEU 87 OK 25 94 - 27 - 2786/1.8=5, 2810/3.2=3...(11) HA GLN 62 - HB2 LEU 87 OK 25 100 - 25 - 2786/1.8=4, 2810/3.2=4...(9) HA ASN 139 - HB2 LEU 87 OK 22 81 - 27 - 3.0/10495=5, 2786/1.8=4...(12) HA PRO 129 - HB2 LEU 87 OK 19 96 - 20 - 2786/1.8=4, 2810/3.2=3...(7) HA ARG 124 - HB3 LEU 64 OK 15 56 - 27 - 11244/3.1=4, ~9483=3...(13) HA ARG 124 - HB2 LEU 87 OK 14 89 - 15 - 2786/1.8=2, ~4214=2...(5) HA GLN 62 - HB3 LEU 64 poor 8 70 - 12 - ~8343=4, ~8341=2...(4) HA ASN 139 - HB3 LEU 64 lone 5 50 - 9 - 10363/3.2=3, ~9729=1, ~9729=1 HA ASP 32 - HB3 LEU 64 lone 3 61 - 6 - 11244/3.1=1 HA PRO 129 - HB3 LEU 64 lone 2 64 - 3 - Peak 2779 from aliabs.peaks (1.62, 1.62, 42.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 HB3 LEU 64 + HB3 LEU 64 OK 59 59 - 100 Peak 2780 from aliabs.peaks (1.24, 1.62, 42.12 ppm; 4.11 A): 6 out of 10 assignments used, quality = 1.00: * HB3 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 1.8=100 HG12 ILE 101 + HB2 LEU 87 OK 75 99 - 76 - 2.1/10178=11, ~10129=11...(19) HG12 ILE 58 + HB2 LEU 87 OK 67 98 - 69 - ~10950=14, ~11003=10...(26) HD3 LYS 123 + HB2 LEU 87 OK 53 89 - 60 - ~10060=7, 2812/3.2=6...(20) HG13 ILE 58 + HB2 LEU 87 OK 51 81 - 63 - ~10950=14, ~11003=10...(23) HB3 LEU 87 + HB3 LEU 64 OK 51 70 - 73 - 2787=9, 3.0/2771=6...(32) HG12 ILE 58 - HB3 LEU 64 OK 11 66 - 17 - ~8272=6, ~8292=4, ~8292=3 HG13 ILE 58 - HB3 LEU 64 poor 8 50 - 16 - ~8272=6, ~8292=4, ~8292=3 HG12 ILE 101 - HB3 LEU 64 poor 8 67 - 12 - ~10623=2, 2.1/10178=2 HD3 LYS 123 - HB3 LEU 64 lone 4 56 - 8 - ~8374=2, 2.9/11413=1 Peak 2781 from aliabs.peaks (1.31, 1.62, 42.12 ppm; 4.02 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.0=100 HG3 LYS 24 + HB2 LEU 87 OK 74 96 - 76 - 2789/1.8=11, 10898=10...(33) HG LEU 79 + HB2 LEU 87 OK 69 100 - 69 - ~8890=10, 2789/1.8=10...(28) HG LEU 87 - HB3 LEU 64 OK 43 70 - 61 - 2.1/2803=7, 2.1/2811=6...(30) HG12 ILE 83 - HB2 LEU 87 OK 41 85 - 48 - 2789/1.8=6, 2.1/10003=5...(18) HG12 ILE 83 - HB3 LEU 64 OK 34 53 - 65 - ~10988=8, ~1822=7...(22) HG LEU 79 - HB3 LEU 64 OK 21 68 - 30 - 2386/3.1=4, ~1821=4...(11) HG3 LYS 24 - HB3 LEU 64 OK 13 64 - 20 - 10898=2, 1.8/10905=2...(7) Peak 2782 from aliabs.peaks (0.71, 1.62, 42.12 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB2 LEU 87 OK 77 77 - 100 - 3.2=100 QD2 LEU 87 - HB3 LEU 64 OK 33 70 - 48 - 2803=7, 2.1/2811=5...(27) QD1 LEU 87 - HB3 LEU 64 OK 22 47 - 46 - 2.1/2803=6, 2811=5...(28) Peak 2783 from aliabs.peaks (0.72, 1.62, 42.12 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.2=100 QD2 LEU 87 + HB2 LEU 87 OK 77 77 - 100 - 3.1=100 QD1 LEU 87 - HB3 LEU 64 OK 33 70 - 47 - 2811=7, 2.1/2803=5...(26) QD2 LEU 87 - HB3 LEU 64 OK 20 47 - 43 - 2.1/2811=5, 2803=5...(25) Peak 2786 from aliabs.peaks (4.64, 1.24, 42.12 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.0=100 HA GLN 62 - HB3 LEU 87 OK 31 100 - 31 - 2810/3.2=5, 2802/3.1=4...(13) HA ASP 32 - HB3 LEU 87 OK 27 94 - 29 - 2810/3.2=4, 2778/1.8=4...(13) HA PRO 129 - HB3 LEU 87 OK 27 96 - 28 - 9591/8878=7, 2810/3.2=4...(10) HA ASN 139 - HB3 LEU 87 OK 26 81 - 32 - ~10495=8, 2810/3.2=4...(14) HA ARG 124 - HB3 LEU 87 OK 15 89 - 17 - ~4214=3, ~4205=2...(5) Peak 2787 from aliabs.peaks (1.62, 1.24, 42.12 ppm; 4.38 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 1.8=100 HB3 LEU 64 + HB3 LEU 87 OK 71 92 - 78 - 2780=9, 2771/3.0=7...(32) HD2 LYS 24 + HB3 LEU 87 OK 61 92 - 67 - 3.0/2789=9, 11365/3.0=9...(21) HG3 LYS 48 - HB3 LEU 87 OK 45 96 - 47 - ~10771=6, ~11145=5...(17) HG3 LYS 34 - HB3 LEU 87 OK 43 92 - 47 - ~10799=5, ~520=4...(20) HG3 ARG 49 - HB3 LEU 87 OK 30 96 - 31 - 2771/3.0=3, 7001/4.0=3...(19) HG3 ARG 144 - HB3 LEU 87 OK 24 99 - 23 - 2811/3.2=2, 2803/3.1=2...(9) HG LEU 108 - HB3 LEU 87 OK 17 72 - 24 - ~10231=3, ~3505=2...(14) HB2 LEU 97 - HB3 LEU 87 OK 13 62 - 21 - 4.8/9132=4, 2795/3.0=2...(8) HG2 ARG 141 - HB3 LEU 87 lone 3 68 - 5 - Peak 2788 from aliabs.peaks (1.24, 1.24, 42.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 87 + HB3 LEU 87 OK 100 100 - 100 Peak 2789 from aliabs.peaks (1.31, 1.24, 42.12 ppm; 3.18 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.0=100 HG3 LYS 24 + HB3 LEU 87 OK 51 96 - 53 - 11337/1.8=8, 2805/3.1=6...(22) HG LEU 79 + HB3 LEU 87 OK 49 100 - 49 - 2813/3.2=6, 2805/3.1=6...(22) HG12 ILE 83 - HB3 LEU 87 OK 27 85 - 32 - ~10003=3, 2813/3.2=3...(19) Peak 2790 from aliabs.peaks (0.71, 1.24, 42.12 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB3 LEU 87 OK 77 77 - 100 - 3.2=100 Peak 2791 from aliabs.peaks (0.72, 1.24, 42.12 ppm; 3.52 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.2=100 QD2 LEU 87 + HB3 LEU 87 OK 77 77 - 100 - 3.1=100 Peak 2794 from aliabs.peaks (4.64, 1.31, 26.06 ppm; 6.51 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 87 + HG LEU 87 OK 100 100 - 100 - 4.3=100 HA ARG 124 - HG LEU 79 OK 44 55 - 80 - ~8735=18, 10672/2.1=14...(20) HA GLN 62 - HG LEU 87 OK 43 100 - 43 - 2.9/9819=8, 2786/3.0=7...(14) HA LEU 87 - HG LEU 79 OK 41 69 - 59 - 4.0/2813=12, 4.1/2805=11...(13) HA ASN 139 - HG LEU 87 OK 28 81 - 34 - ~10495=11, 2786/3.0=5...(9) HA PRO 129 - HG LEU 87 OK 27 96 - 28 - 2786/3.0=6...(8) HA ASP 32 - HG LEU 87 OK 25 94 - 27 - 2786/3.0=6, 2810/2.1=5...(6) HA ARG 124 - HG LEU 87 OK 18 89 - 20 - 2786/3.0=3, 2810/2.1=2...(6) HA GLN 62 - HG LEU 79 OK 14 69 - 20 - 3.9/9828=5, 3.9/9828=5...(4) HA ASN 139 - HG LEU 79 OK 12 49 - 25 - ~9937=14, ~9726=4...(4) HA PRO 129 - HG LEU 79 poor 8 63 - 14 - 10270/10979=8 HA ASP 32 - HG LEU 79 lone 4 60 - 6 - Peak 2795 from aliabs.peaks (1.62, 1.31, 26.06 ppm; 3.72 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 87 + HG LEU 87 OK 100 100 - 100 - 3.0=100 HD2 LYS 24 + HG LEU 87 OK 57 92 - 62 - 11365=10, 3.0/11334=7...(24) HB3 LEU 64 + HG LEU 87 OK 51 92 - 55 - 2803/2.1=6, 2811/2.1=6...(29) HB2 LEU 87 - HG LEU 79 OK 43 69 - 62 - 1.8/2789=9, ~8890=8...(23) HG3 LYS 48 - HG LEU 87 OK 39 96 - 40 - ~10771=6, 2811/2.1=5...(12) HG3 LYS 34 - HG LEU 87 OK 29 92 - 32 - ~8898=4, ~8898=4...(12) HG3 ARG 49 - HG LEU 87 OK 21 96 - 22 - 2811/2.1=3, 2803/2.1=2...(9) HG3 ARG 144 - HG LEU 87 OK 17 99 - 17 - 2811/2.1=2, 2803/2.1=2...(6) HB3 LEU 64 - HG LEU 79 OK 15 58 - 26 - ~1821=3, 3.1/2386=3...(11) HB2 LEU 97 - HG LEU 87 OK 14 62 - 22 - 4.8/9145=5, 4.8/9146=5...(7) HD2 LYS 24 - HG LEU 79 OK 13 58 - 22 - 10914=3, 3.0/10907=3...(10) HG LEU 108 - HG LEU 87 OK 12 72 - 16 - 2.1/10231=4, 2811/2.1=2...(5) HB2 LEU 97 - HG LEU 79 poor 4 36 - 11 - 4.8/9146=3, 4.8/9145=3 HG3 ARG 49 - HG LEU 79 lone 4 63 - 6 - ~11004=1 HG3 ARG 144 - HG LEU 79 lone 4 66 - 5 - HG3 LYS 48 - HG LEU 79 lone 4 63 - 6 - HG LEU 108 - HG LEU 79 lone 3 43 - 8 - HG3 LYS 34 - HG LEU 79 lone 3 58 - 5 - HG2 ARG 141 - HG LEU 87 lone 2 68 - 3 - HG2 ARG 141 - HG LEU 79 lone 1 39 - 3 - Peak 2796 from aliabs.peaks (1.24, 1.31, 26.06 ppm; 3.94 A): 6 out of 10 assignments used, quality = 1.00: * HB3 LEU 87 + HG LEU 87 OK 100 100 - 100 - 3.0=100 HG12 ILE 101 + HG LEU 87 OK 71 99 - 71 - 2.1/10129=22...(18) HG12 ILE 58 + HG LEU 87 OK 64 98 - 66 - ~10950=18, 2.1/11003=9...(26) HG13 ILE 58 + HG LEU 87 OK 49 81 - 60 - ~10950=18, 2.1/11003=9...(21) HB3 LEU 87 + HG LEU 79 OK 47 69 - 69 - 2789=11, ~8890=10...(30) HD3 LYS 123 + HG LEU 87 OK 46 89 - 52 - ~10060=9, 2812/2.1=7...(21) HG12 ILE 101 - HG LEU 79 OK 12 66 - 17 - 2.1/10177=7, 3.2/10133=3...(6) HD3 LYS 123 - HG LEU 79 poor 9 55 - 16 - ~8738=4, ~8738=4...(5) HG12 ILE 58 - HG LEU 79 lone 4 65 - 6 - 2.1/11003=1 HG13 ILE 58 - HG LEU 79 lone 2 49 - 5 - 2.1/11003=1 Peak 2797 from aliabs.peaks (1.31, 1.31, 26.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 87 + HG LEU 87 OK 100 100 - 100 HG LEU 79 + HG LEU 79 OK 67 67 - 100 Peak 2798 from aliabs.peaks (0.71, 1.31, 26.06 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 + HG LEU 87 OK 77 77 - 100 - 2.1=100 QD2 LEU 87 - HG LEU 79 OK 42 69 - 61 - 2805=11, ~8890=10...(25) QD1 LEU 87 - HG LEU 79 OK 28 46 - 60 - 8890/3.0=14, 2.1/2805=8...(25) Peak 2799 from aliabs.peaks (0.72, 1.31, 26.06 ppm; 3.27 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD2 LEU 87 + HG LEU 87 OK 77 77 - 100 - 2.1=100 QD1 LEU 87 - HG LEU 79 OK 45 69 - 65 - 8890/3.0=20, 2813=12...(26) QD2 LEU 87 - HG LEU 79 OK 26 46 - 57 - ~8890=9, 2.1/2813=9...(25) Peak 2802 from aliabs.peaks (4.64, 0.71, 22.08 ppm; 2.81 A): 2 out of 6 assignments used, quality = 0.80: * HA LEU 87 + QD2 LEU 87 OK 78 100 - 78 - 4.1=33, 2775/2.1=17...(16) HA GLN 62 + QD2 LEU 87 OK 10 100 - 10 - 2810/2.1=2, 2786/3.1=1...(4) HA ASP 32 - QD2 LEU 87 lone 7 94 - 7 - 2810/2.1=2, 2786/3.1=2 HA ASN 139 - QD2 LEU 87 lone 7 81 - 8 - 2810/2.1=2, ~10495=1, 2786/3.1=1 HA PRO 129 - QD2 LEU 87 lone 6 96 - 6 - 2810/2.1=2, 2786/3.1=1 HA ARG 124 - QD2 LEU 87 lone 4 89 - 5 - Peak 2803 from aliabs.peaks (1.62, 0.71, 22.08 ppm; 3.10 A): 1 out of 10 assignments used, quality = 0.99: * HB2 LEU 87 + QD2 LEU 87 OK 99 100 - 99 - 3.1=95, 1.8/2804=21...(18) HD2 LYS 24 - QD2 LEU 87 OK 39 92 - 42 - 3.0/10771=8, 11365/2.1=7...(17) HB3 LEU 64 - QD2 LEU 87 OK 38 92 - 41 - 2782=6, 2811/2.1=4...(21) HG3 LYS 48 - QD2 LEU 87 OK 31 96 - 32 - 1.8/10771=7, 2811/2.1=4...(11) HG3 LYS 34 - QD2 LEU 87 OK 18 92 - 20 - 2.9/8898=5, 2811/2.1=2...(8) HG3 ARG 49 - QD2 LEU 87 OK 15 96 - 15 - 2811/2.1=2, 1277/8665=2...(5) HG3 ARG 144 - QD2 LEU 87 OK 13 99 - 13 - 2811/2.1=2, 2795/2.1=1, ~10061=1 HG LEU 108 - QD2 LEU 87 poor 8 72 - 10 - ~10231=2, 2811/2.1=1 HB2 LEU 97 - QD2 LEU 87 lone 5 62 - 7 - 2795/2.1=1, ~11006=1 HG2 ARG 141 - QD2 LEU 87 lone 2 68 - 3 - Peak 2804 from aliabs.peaks (1.24, 0.71, 22.08 ppm; 3.21 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 3.1=100 HG12 ILE 58 + QD2 LEU 87 OK 53 98 - 55 - 2.1/10950=21, ~11003=8...(21) HG12 ILE 101 + QD2 LEU 87 OK 50 99 - 51 - 2812/2.1=9, 2796/2.1=8...(18) HG13 ILE 58 - QD2 LEU 87 OK 40 81 - 50 - 2.1/10950=21, ~11003=8...(18) HD3 LYS 123 - QD2 LEU 87 OK 40 89 - 45 - 2.9/10060=11, 2812/2.1=6...(18) Peak 2805 from aliabs.peaks (1.31, 0.71, 22.08 ppm; 2.94 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 2.1=100 HG LEU 79 + QD2 LEU 87 OK 49 100 - 49 - 2813/2.1=7, ~8890=7...(20) HG3 LYS 24 + QD2 LEU 87 OK 48 96 - 49 - 1.8/10771=9, 2813/2.1=7...(20) HG12 ILE 83 - QD2 LEU 87 OK 22 85 - 25 - 2813/2.1=3, 2789/3.1=2...(15) Peak 2806 from aliabs.peaks (0.71, 0.71, 22.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 87 + QD2 LEU 87 OK 100 100 - 100 Peak 2807 from aliabs.peaks (0.72, 0.71, 22.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: QD2 LEU 87 + QD2 LEU 87 OK 77 77 - 100 Reference assignment not found: QD1 LEU 87 - QD2 LEU 87 Peak 2810 from aliabs.peaks (4.64, 0.72, 25.72 ppm; 3.64 A): 1 out of 6 assignments used, quality = 0.97: * HA LEU 87 + QD1 LEU 87 OK 97 100 - 97 - 4.0=73, 2802/2.1=33...(22) HA GLN 62 - QD1 LEU 87 OK 19 100 - 19 - 2802/2.1=4, 2786/3.2=2...(9) HA ASP 32 - QD1 LEU 87 OK 16 94 - 17 - 2810=4, 2802/2.1=3...(6) HA ASN 139 - QD1 LEU 87 OK 16 81 - 20 - 2810=4, ~10495=3...(9) HA PRO 129 - QD1 LEU 87 OK 15 96 - 16 - 9591/8882=6, 2802/2.1=2...(5) HA ARG 124 - QD1 LEU 87 lone 8 89 - 9 - 2802/2.1=2, 2786/3.2=1 Peak 2811 from aliabs.peaks (1.62, 0.72, 25.72 ppm; 3.26 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 3.2=100 HB3 LEU 64 - QD1 LEU 87 OK 44 92 - 48 - 2811=7, 2803/2.1=5...(26) HD2 LYS 24 - QD1 LEU 87 OK 43 92 - 47 - 11365/2.1=8, 3.0/2813=6...(20) HG3 LYS 48 - QD1 LEU 87 OK 41 96 - 42 - 1.8/11145=6, 2.9/10091=5...(13) HG3 LYS 34 - QD1 LEU 87 OK 23 92 - 25 - ~8898=3, 2811=3, ~8898=3...(11) HG3 ARG 49 - QD1 LEU 87 OK 20 96 - 20 - 2811=3, 3.0/10061=2...(8) HG3 ARG 144 - QD1 LEU 87 OK 19 99 - 19 - 2811=3, 3.0/10061=2...(7) HG LEU 108 - QD1 LEU 87 OK 10 72 - 14 - ~10231=2, 2811=2...(4) HB2 LEU 97 - QD1 LEU 87 poor 6 62 - 10 - 2811=1, 2795/2.1=1, ~11006=1 HG2 ARG 141 - QD1 LEU 87 lone 3 68 - 4 - Peak 2812 from aliabs.peaks (1.24, 0.72, 25.72 ppm; 3.37 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 3.2=100 HG12 ILE 101 + QD1 LEU 87 OK 60 99 - 61 - 2812=14, 2804/2.1=10...(20) HG12 ILE 58 + QD1 LEU 87 OK 54 98 - 55 - ~10950=13, ~11003=8...(23) HD3 LYS 123 + QD1 LEU 87 OK 50 89 - 57 - 3.7/9465=12, 2.9/10066=9...(22) HG13 ILE 58 - QD1 LEU 87 OK 41 81 - 50 - ~10950=13, ~11003=8...(20) Peak 2813 from aliabs.peaks (1.31, 0.72, 25.72 ppm; 3.04 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 2.1=100 HG LEU 79 + QD1 LEU 87 OK 58 100 - 58 - 3.0/8890=17, 2813=8...(25) HG3 LYS 24 + QD1 LEU 87 OK 53 96 - 55 - 2813=9, 2805/2.1=7...(23) HG12 ILE 83 - QD1 LEU 87 OK 27 85 - 31 - 2813=6, 2805/2.1=3...(16) Peak 2814 from aliabs.peaks (0.71, 0.72, 25.72 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: QD1 LEU 87 + QD1 LEU 87 OK 77 77 - 100 Reference assignment not found: QD2 LEU 87 - QD1 LEU 87 Peak 2815 from aliabs.peaks (0.72, 0.72, 25.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 87 + QD1 LEU 87 OK 100 100 - 100 Peak 2818 from aliabs.peaks (4.19, 4.19, 60.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 88 + HA TRP 88 OK 100 100 - 100 Peak 2819 from aliabs.peaks (3.31, 4.19, 60.27 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 88 + HA TRP 88 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 - HA TRP 88 OK 35 85 - 41 - 2819=8, 2841/3.0=7...(11) HD2 ARG 124 - HA TRP 88 OK 34 100 - 34 - 2819=7, 2841/3.0=6...(12) Peak 2820 from aliabs.peaks (3.07, 4.19, 60.27 ppm; 4.02 A): 1 out of 9 assignments used, quality = 1.00: * HB3 TRP 88 + HA TRP 88 OK 100 100 - 100 - 3.0=100 HD3 ARG 49 - HA TRP 88 OK 38 98 - 39 - 2832/3.0=5, 2820=4...(15) HB2 TYR 27 - HA TRP 88 OK 29 68 - 43 - 2.6/10058=7, ~11014=6...(14) HA2 GLY 78 - HA TRP 88 OK 16 96 - 17 - 3.0/8694=3, 2832/3.0=2...(5) HE2 LYS 86 - HA TRP 88 OK 13 89 - 14 - 7017/3.0=3, 2820=2...(5) HE3 LYS 86 - HA TRP 88 OK 12 85 - 14 - 7017/3.0=3, 2820=2...(5) HB3 ASP 30 - HA TRP 88 lone 5 100 - 4 - HB3 HIS 10 - HA TRP 88 lone 3 81 - 3 - HE3 LYS 34 - HA TRP 88 lone 3 62 - 4 - Peak 2822 from aliabs.peaks (7.25, 4.19, 60.27 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.72: * HE3 TRP 88 + HA TRP 88 OK 72 100 - 72 - 5.1=53, 7019/3.0=19...(11) Peak 2828 from aliabs.peaks (2.40, 4.19, 60.27 ppm; 3.90 A): 5 out of 8 assignments used, quality = 0.92: * HB ILE 91 + HA TRP 88 OK 85 100 - 85 - 2953=21, 2.1/8976=20...(21) HG2 MET 46 + HA TRP 88 OK 18 96 - 19 - 3.3/10486=4, 2828=3...(8) HG3 MET 59 + HA TRP 88 OK 15 98 - 15 - 2828=3, 1.8/2828=2, 2964/8976=1 HG2 MET 59 + HA TRP 88 OK 13 92 - 15 - 2828=3, 1.8/2828=2, 2964/8976=1 HG3 GLN 25 + HA TRP 88 OK 12 98 - 12 - 1.8/2828=2, 2964/8976=1...(5) HB3 PRO 118 - HA TRP 88 lone 5 89 - 6 - 4.3/9424=2 HG3 GLN 133 - HA TRP 88 lone 4 68 - 5 - 1.8/9602=2, 9602=1 HG2 GLN 133 - HA TRP 88 lone 3 62 - 5 - 1.8/9602=2, 9602=1 Peak 2830 from aliabs.peaks (4.19, 3.31, 29.06 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: * HA TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 3.0=100 HA LEU 64 + HB2 TRP 88 OK 45 92 - 50 - 2840/1.8=12, ~10239=8...(12) HA CYS 121 - HB2 TRP 88 OK 11 77 - 14 - 2840/1.8=3, ~4010=2...(6) HA PHE 43 - HB2 TRP 88 lone 8 81 - 10 - 9215/8928=3, 2840/1.8=2 Peak 2831 from aliabs.peaks (3.31, 3.31, 29.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 88 + HB2 TRP 88 OK 100 100 - 100 Peak 2832 from aliabs.peaks (3.07, 3.31, 29.06 ppm; 4.01 A): 1 out of 9 assignments used, quality = 1.00: * HB3 TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 1.8=100 HD3 ARG 49 - HB2 TRP 88 OK 36 98 - 37 - 8917/5.3=6, 2820/3.0=5...(14) HB2 TYR 27 - HB2 TRP 88 OK 25 68 - 37 - 2.6/11013=7, ~11014=7...(16) HA2 GLY 78 - HB2 TRP 88 OK 13 96 - 14 - 2820/3.0=2, ~8694=2...(7) HE2 LYS 86 - HB2 TRP 88 lone 9 89 - 10 - 7017/4.0=2, 2820/3.0=2, ~2820=1 HE3 LYS 86 - HB2 TRP 88 lone 8 85 - 10 - 7017/4.0=2, 2820/3.0=2, ~2820=1 HB3 ASP 30 - HB2 TRP 88 lone 4 100 - 4 - HB3 HIS 10 - HB2 TRP 88 lone 3 81 - 3 - HE3 LYS 34 - HB2 TRP 88 lone 2 62 - 3 - Peak 2833 from aliabs.peaks (7.48, 3.31, 29.06 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 88 + HB2 TRP 88 OK 100 100 - 100 - 3.9=100 Peak 2840 from aliabs.peaks (4.19, 3.07, 29.06 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 3.0=100 HA LEU 64 - HB3 TRP 88 OK 45 92 - 49 - 3.9/9881=11, 2830/1.8=10...(12) HA CYS 121 - HB3 TRP 88 poor 9 77 - 12 - 2830/1.8=2, ~4010=2, ~7494=1 HA PHE 43 - HB3 TRP 88 lone 8 81 - 10 - 9215/8927=3, 2830/1.8=2 Peak 2841 from aliabs.peaks (3.31, 3.07, 29.06 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 1.8=100 HD3 ARG 109 - HB3 TRP 88 OK 32 85 - 37 - 2819/3.0=6, 5612/3.9=6...(13) HD2 ARG 124 - HB3 TRP 88 OK 30 100 - 30 - 2819/3.0=6, ~4255=4...(10) Peak 2842 from aliabs.peaks (3.07, 3.07, 29.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 88 + HB3 TRP 88 OK 100 100 - 100 Peak 2843 from aliabs.peaks (7.48, 3.07, 29.06 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 88 + HB3 TRP 88 OK 100 100 - 100 - 3.9=100 Peak 2849 from aliabs.peaks (4.30, 4.30, 59.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 89 + HA ARG 89 OK 100 100 - 100 Peak 2850 from aliabs.peaks (1.93, 4.30, 59.11 ppm; 2.87 A): 2 out of 11 assignments used, quality = 0.98: * HB2 ARG 89 + HA ARG 89 OK 96 100 - 96 - 3.0=88, 2.8/2875=15...(16) HB2 ARG 140 + HA ARG 89 OK 63 96 - 66 - 1.8/2851=8, 3948=7...(40) HG2 PRO 52 - HA ARG 89 OK 25 98 - 25 - 2.3/2854=3, 2868/3.0=3...(9) HB ILE 136 - HA ARG 89 OK 24 100 - 24 - 2851=2, 2868/3.0=2...(7) HB3 PRO 52 - HA ARG 89 OK 24 99 - 24 - 3.0/2854=3, 2868/3.0=2...(7) HB2 PRO 118 - HA ARG 89 OK 23 100 - 23 - 3948=3, 2868/3.0=2...(11) HG13 ILE 83 - HA ARG 89 OK 15 99 - 15 - 3.2/8948=5 HB3 LEU 132 - HA ARG 89 lone 9 98 - 9 - 1.8/8949=2 HB2 LYS 86 - HA ARG 89 lone 5 81 - 6 - 4.0/10069=4 HG3 PRO 12 - HA ARG 89 lone 4 85 - 5 - HG2 PRO 12 - HA ARG 89 lone 3 62 - 4 - Peak 2851 from aliabs.peaks (1.90, 4.30, 59.11 ppm; 2.97 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ARG 89 + HA ARG 89 OK 99 100 - 99 - 3.0=98, 2.8/2875=16...(18) HB3 ARG 140 + HA ARG 89 OK 64 92 - 69 - 4724=9, 1.8/2850=8...(40) HB3 LYS 93 - HA ARG 89 OK 30 89 - 33 - 4.1/7079=10, 3033/4.9=4...(9) HB3 LEU 69 - HA ARG 89 OK 15 98 - 16 - 3.2/8947=4, 7033/3.5=1 HB ILE 101 - HA ARG 89 OK 14 99 - 14 - 2.1/8948=1, 3.9/7184=1 HB3 GLN 111 - HA ARG 89 OK 11 100 - 11 - 7033/3.5=1, 2861/3.0=1 HB2 GLN 62 - HA ARG 89 OK 10 100 - 10 - 2850=2 HB3 ARG 141 - HA ARG 89 poor 8 77 - 10 - 3.0/2858=3 HB3 LYS 24 - HA ARG 89 lone 7 100 - 7 - HB2 MET 59 - HA ARG 89 lone 3 77 - 4 - QE MET 68 - HA ARG 89 lone 3 62 - 5 - Peak 2852 from aliabs.peaks (1.67, 4.30, 59.11 ppm; 3.44 A): 2 out of 13 assignments used, quality = 0.99: * HG2 ARG 89 + HA ARG 89 OK 97 100 - 97 - 3.8=77, 1.8/2883=26...(27) HG2 ARG 140 + HA ARG 89 OK 62 81 - 77 - 1.8/4742=11, 4733=9...(38) HD3 LYS 93 - HA ARG 89 OK 32 100 - 32 - 6.2/7079=7, 2870/3.0=3...(11) HG13 ILE 136 - HA ARG 89 OK 30 100 - 30 - 2862/3.0=4, 2870/3.0=3...(12) HB2 LEU 95 - HA ARG 89 OK 16 100 - 16 - 3.9/10069=6, 7034/3.5=2...(5) HB2 MET 68 - HA ARG 89 lone 9 96 - 10 - 1965/3.0=1, 2862/3.0=1 HD2 LYS 48 - HA ARG 89 lone 9 100 - 9 - 2870/3.0=1 HD3 LYS 48 - HA ARG 89 lone 9 94 - 9 - 3067/7079=1 HG2 ARG 124 - HA ARG 89 poor 9 81 - 11 - 3.0/2855=2, 2862/3.0=1...(4) HB VAL 71 - HA ARG 89 lone 8 100 - 8 - ~8520=1 HB2 ARG 145 - HA ARG 89 lone 5 100 - 5 - 3.0/10387=2 HB2 PRO 57 - HA ARG 89 lone 3 92 - 4 - HB2 LYS 114 - HA ARG 89 lone 2 62 - 3 - Peak 2853 from aliabs.peaks (1.72, 4.30, 59.11 ppm; 3.41 A): 2 out of 9 assignments used, quality = 0.98: * HG3 ARG 89 + HA ARG 89 OK 97 100 - 97 - 3.8=75, 1.8/2875=27...(29) HG3 ARG 140 + HA ARG 89 OK 47 62 - 75 - 1.8/4733=11, 2863/3.0=8...(38) HB3 ARG 109 - HA ARG 89 OK 20 100 - 20 - 11118/3.0=5, 2863/3.0=3...(8) HB3 GLU 81 - HA ARG 89 OK 13 100 - 13 - 4.6/10068=2, 2871/3.0=2...(6) HB2 LYS 85 - HA ARG 89 lone 8 96 - 8 - 4.6/10069=6 HB2 GLU 81 - HA ARG 89 poor 7 68 - 10 - 4.6/10068=2 HB3 ARG 144 - HA ARG 89 lone 6 98 - 6 - 9022/2858=1, 10096/8947=1 HB ILE 58 - HA ARG 89 lone 6 94 - 6 - HD2 LYS 36 - HA ARG 89 lone 5 94 - 5 - Peak 2854 from aliabs.peaks (3.25, 4.30, 59.11 ppm; 3.79 A): 2 out of 3 assignments used, quality = 0.98: * HD2 ARG 89 + HA ARG 89 OK 95 100 - 95 - 5.5=33, 1.8/2899=26...(28) HD3 ARG 89 + HA ARG 89 OK 63 68 - 94 - 5.5=33, 1.8/2891=24...(25) HB2 TYR 112 - HA ARG 89 lone 6 98 - 6 - 2872/3.0=1, 2864/3.0=1 Peak 2855 from aliabs.peaks (3.23, 4.30, 59.11 ppm; 3.79 A): 2 out of 3 assignments used, quality = 0.98: * HD3 ARG 89 + HA ARG 89 OK 95 100 - 95 - 2899=33, 1.8/2891=24...(27) HD2 ARG 89 + HA ARG 89 OK 63 68 - 94 - 5.5=33, 1.8/2899=26...(26) HD3 ARG 124 - HA ARG 89 OK 11 77 - 14 - 2873/3.0=2, 2865/3.0=2...(5) Peak 2858 from aliabs.peaks (4.25, 4.30, 59.11 ppm; 2.77 A): 1 out of 5 assignments used, quality = 0.60: * HB THR 92 + HA ARG 89 OK 60 100 - 60 - 2999=27, 2.1/8947=15...(9) HA2 GLY 50 - HA ARG 89 lone 6 100 - 6 - 8230/5.5=2, 8230/5.5=2 HA ARG 141 - HA ARG 89 lone 5 72 - 7 - HA GLU 142 - HA ARG 89 lone 2 100 - 2 - HA ALA 135 - HA ARG 89 lone 1 81 - 1 - Peak 2859 from aliabs.peaks (4.30, 1.93, 28.79 ppm; 3.06 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 3.0=100 HA ARG 140 + HB2 ARG 89 OK 68 92 - 74 - 2867/1.8=11, 4705=10...(43) HA PRO 118 - HB2 ARG 89 OK 33 96 - 34 - 2867/1.8=5, 2875/2.8=4...(14) HA SER 100 - HB2 ARG 89 OK 14 100 - 14 - 2867/1.8=3, 2875/2.8=2...(5) HA THR 18 - HB2 ARG 89 lone 4 62 - 6 - 2867/1.8=1 Peak 2860 from aliabs.peaks (1.93, 1.93, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 89 + HB2 ARG 89 OK 100 100 - 100 Peak 2861 from aliabs.peaks (1.90, 1.93, 28.79 ppm; 2.50 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 1.8=100 HB3 ARG 140 + HB2 ARG 89 OK 68 92 - 75 - 4725=9, 2885/2.8=6...(52) HB3 LYS 93 - HB2 ARG 89 OK 19 89 - 22 - 2851/3.0=2, 7033/4.4=2...(8) HB3 LEU 69 - HB2 ARG 89 OK 11 98 - 11 - HB ILE 101 - HB2 ARG 89 lone 9 99 - 9 - HB3 GLN 111 - HB2 ARG 89 lone 9 100 - 9 - HB2 GLN 62 - HB2 ARG 89 lone 8 100 - 8 - HB3 ARG 141 - HB2 ARG 89 lone 7 77 - 9 - 4.0/7834=2 HB3 LYS 24 - HB2 ARG 89 lone 6 100 - 6 - QE MET 68 - HB2 ARG 89 lone 2 62 - 4 - HB2 MET 59 - HB2 ARG 89 lone 1 77 - 2 - Peak 2862 from aliabs.peaks (1.67, 1.93, 28.79 ppm; 3.09 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 2.8=100 HG2 ARG 140 + HB2 ARG 89 OK 71 81 - 87 - 1.8/4743=10, 4734=8...(63) HG13 ILE 136 - HB2 ARG 89 OK 39 100 - 39 - 2870/1.8=4, 4629=3...(15) HD3 LYS 93 - HB2 ARG 89 OK 35 100 - 35 - 2870/1.8=4, 2886/2.8=3...(11) HG2 ARG 124 - HB2 ARG 89 OK 12 81 - 14 - 3.0/2865=2, 2870/1.8=1 HB2 MET 68 - HB2 ARG 89 OK 12 96 - 12 - 2870/1.8=1 HD2 LYS 48 - HB2 ARG 89 OK 10 100 - 10 - 2870/1.8=1 HB2 LEU 95 - HB2 ARG 89 lone 10 100 - 10 - 7034/4.4=1, 2870/1.8=1 HB VAL 71 - HB2 ARG 89 lone 10 100 - 9 - ~8520=1, 2870/1.8=1 HD3 LYS 48 - HB2 ARG 89 lone 9 94 - 10 - 2870/1.8=1 HB2 ARG 145 - HB2 ARG 89 lone 7 100 - 6 - ~10387=1 HB2 PRO 57 - HB2 ARG 89 lone 3 92 - 3 - HB2 LYS 114 - HB2 ARG 89 lone 2 62 - 2 - Peak 2863 from aliabs.peaks (1.72, 1.93, 28.79 ppm; 2.94 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 89 + HB2 ARG 89 OK 100 100 - 100 - 2.8=100 HG3 ARG 140 + HB2 ARG 89 OK 52 62 - 83 - 1.8/4734=9, 2871/1.8=8...(55) HB3 ARG 109 - HB2 ARG 89 OK 23 100 - 23 - 11118/1.8=5, 2879/2.8=3...(9) HB3 GLU 81 - HB2 ARG 89 lone 10 100 - 10 - 2871/1.8=2, 2853/3.0=1 HB2 GLU 81 - HB2 ARG 89 lone 6 68 - 9 - 2871/1.8=1 HB3 ARG 144 - HB2 ARG 89 lone 5 98 - 5 - HB ILE 58 - HB2 ARG 89 lone 4 94 - 5 - 2.1/8273=1 HD2 LYS 36 - HB2 ARG 89 lone 4 94 - 4 - HB2 LYS 85 - HB2 ARG 89 lone 3 96 - 3 - Peak 2864 from aliabs.peaks (3.25, 1.93, 28.79 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 89 + HB2 ARG 89 OK 99 100 - 99 - 3.5=81, 2880/2.8=20...(41) HD3 ARG 89 + HB2 ARG 89 OK 67 68 - 99 - 3.5=81, 1.8/2892=15...(39) HB2 TYR 112 - HB2 ARG 89 lone 5 98 - 5 - 2872/1.8=1, 2888/2.8=1 Peak 2865 from aliabs.peaks (3.23, 1.93, 28.79 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 89 + HB2 ARG 89 OK 99 100 - 99 - 3.5=81, 2881/2.8=20...(42) HD2 ARG 89 + HB2 ARG 89 OK 67 68 - 99 - 3.5=81, 1.8/2900=17...(39) HD3 ARG 124 - HB2 ARG 89 OK 12 77 - 15 - 2873/1.8=2, 2881/2.8=2...(5) Peak 2867 from aliabs.peaks (4.30, 1.90, 28.79 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 3.0=100 HA ARG 140 + HB3 ARG 89 OK 68 92 - 74 - 2859/1.8=11, 2875/2.8=9...(43) HA PRO 118 - HB3 ARG 89 OK 30 96 - 31 - 2859/1.8=5, 2875/2.8=4...(8) HA SER 100 - HB3 ARG 89 OK 15 100 - 15 - 2859/1.8=3, 2875/2.8=2...(5) HA THR 18 - HB3 ARG 89 lone 4 62 - 6 - 2859/1.8=1 Peak 2868 from aliabs.peaks (1.93, 1.90, 28.79 ppm; 2.50 A): 2 out of 11 assignments used, quality = 1.00: * HB2 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 1.8=100 HB2 ARG 140 + HB3 ARG 89 OK 71 96 - 74 - 4716=8, 2884/2.8=6...(51) HG2 PRO 52 - HB3 ARG 89 OK 28 98 - 29 - 2.3/2872=3, 1.8/3620=2...(8) HB3 PRO 52 - HB3 ARG 89 OK 27 99 - 27 - 3.0/2872=3, 2.3/3620=2...(8) HB2 PRO 118 - HB3 ARG 89 OK 25 100 - 25 - 2.3/2867=3, 4716=2...(7) HB ILE 136 - HB3 ARG 89 OK 24 100 - 24 - 2876/2.8=2, 2884/2.8=2...(7) HG13 ILE 83 - HB3 ARG 89 OK 11 99 - 12 - ~8948=2 HB3 LEU 132 - HB3 ARG 89 lone 7 98 - 7 - HG3 PRO 12 - HB3 ARG 89 lone 5 85 - 5 - HG2 PRO 12 - HB3 ARG 89 lone 3 62 - 4 - HB2 LYS 86 - HB3 ARG 89 lone 1 81 - 2 - Peak 2869 from aliabs.peaks (1.90, 1.90, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 89 + HB3 ARG 89 OK 100 100 - 100 Peak 2870 from aliabs.peaks (1.67, 1.90, 28.79 ppm; 3.07 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 2.8=100 HG2 ARG 140 + HB3 ARG 89 OK 70 81 - 87 - 1.8/4744=9, 2.9/2868=8...(63) HG13 ILE 136 - HB3 ARG 89 OK 37 100 - 37 - 2862/1.8=4, 2886/2.8=3...(15) HD3 LYS 93 - HB3 ARG 89 OK 35 100 - 35 - 2862/1.8=4, 1.8/3070=3...(12) HB2 MET 68 - HB3 ARG 89 OK 13 96 - 13 - 1965=1, 2862/1.8=1 HG2 ARG 124 - HB3 ARG 89 OK 12 81 - 14 - 2862/1.8=2, 3.0/2873=2 HB2 LEU 95 - HB3 ARG 89 OK 11 100 - 11 - 7034/4.4=1, 3.9/9060=1...(4) HD2 LYS 48 - HB3 ARG 89 OK 11 100 - 11 - 2862/1.8=1 HB VAL 71 - HB3 ARG 89 OK 11 100 - 11 - 2.1/8520=2, 2862/1.8=1 HD3 LYS 48 - HB3 ARG 89 OK 10 94 - 10 - 2862/1.8=1 HB2 ARG 145 - HB3 ARG 89 lone 7 100 - 6 - ~10387=1 HB2 PRO 57 - HB3 ARG 89 lone 3 92 - 3 - HB2 LYS 114 - HB3 ARG 89 lone 2 62 - 3 - Peak 2871 from aliabs.peaks (1.72, 1.90, 28.79 ppm; 2.87 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 2.8=100 HG3 ARG 140 + HB3 ARG 89 OK 51 62 - 81 - 1.8/4735=8, 2863/1.8=8...(55) HB3 ARG 109 - HB3 ARG 89 OK 25 100 - 26 - 11118=5, 1.8/10728=4...(9) HB3 GLU 81 - HB3 ARG 89 OK 10 100 - 10 - 2863/1.8=2, 2853/3.0=1 HB2 GLU 81 - HB3 ARG 89 lone 6 68 - 9 - 2863/1.8=1 HB3 ARG 144 - HB3 ARG 89 lone 5 98 - 5 - HB ILE 58 - HB3 ARG 89 lone 5 94 - 5 - HD2 LYS 36 - HB3 ARG 89 lone 4 94 - 5 - HB2 LYS 85 - HB3 ARG 89 lone 3 96 - 3 - Peak 2872 from aliabs.peaks (3.25, 1.90, 28.79 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 3.5=84, 2864/1.8=21...(43) HD3 ARG 89 + HB3 ARG 89 OK 67 68 - 99 - 3.5=84, 1.8/2893=16...(41) HB2 TYR 112 - HB3 ARG 89 lone 6 98 - 6 - 2864/1.8=1, 2888/2.8=1 Peak 2873 from aliabs.peaks (3.23, 1.90, 28.79 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 89 + HB3 ARG 89 OK 100 100 - 100 - 3.5=84, 2881/2.8=20...(44) HD2 ARG 89 + HB3 ARG 89 OK 67 68 - 99 - 3.5=84, 1.8/2901=17...(41) HD3 ARG 124 - HB3 ARG 89 OK 12 77 - 15 - 2865/1.8=2, 2881/2.8=2...(5) Peak 2875 from aliabs.peaks (4.30, 1.67, 27.30 ppm; 2.99 A): 2 out of 5 assignments used, quality = 0.96: * HA ARG 89 + HG2 ARG 89 OK 88 100 - 88 - 3.8=50, 2883/1.8=21...(25) HA ARG 140 + HG2 ARG 89 OK 68 92 - 74 - 2883/1.8=11, 3.0/2877=8...(42) HA PRO 118 - HG2 ARG 89 OK 28 96 - 29 - 2883/1.8=5, 2859/2.8=4...(8) HA SER 100 - HG2 ARG 89 OK 11 100 - 11 - 2883/1.8=2, 2867/2.8=2...(5) HA THR 18 - HG2 ARG 89 lone 3 62 - 4 - Peak 2876 from aliabs.peaks (1.93, 1.67, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB2 ARG 89 + HG2 ARG 89 OK 94 100 - 94 - 2.8=70, 1.8/2877=12...(47) HB2 ARG 140 + HG2 ARG 89 OK 73 96 - 76 - 1.8/2877=9, 2884/1.8=9...(48) HB ILE 136 - HG2 ARG 89 OK 29 100 - 29 - 2877=4, 2884/1.8=3...(11) HG2 PRO 52 - HG2 ARG 89 OK 27 98 - 28 - 2.3/2880=3, 2884/1.8=3...(10) HB3 PRO 52 - HG2 ARG 89 OK 26 99 - 26 - 2884/1.8=3, 3.0/2880=3...(9) HB2 PRO 118 - HG2 ARG 89 OK 24 100 - 24 - 2.3/2875=3, 2884/1.8=2...(8) HG13 ILE 83 - HG2 ARG 89 OK 14 99 - 14 - ~8950=2, 3.2/11042=2...(5) HB3 LEU 132 - HG2 ARG 89 lone 4 98 - 4 - HG3 PRO 12 - HG2 ARG 89 lone 4 85 - 5 - HG2 PRO 12 - HG2 ARG 89 lone 3 62 - 4 - HB2 LYS 86 - HG2 ARG 89 lone 1 81 - 2 - Peak 2877 from aliabs.peaks (1.90, 1.67, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB3 ARG 89 + HG2 ARG 89 OK 94 100 - 94 - 2.8=71, 2885/1.8=13...(49) HB3 ARG 140 + HG2 ARG 89 OK 69 92 - 76 - 2885/1.8=9, 1.8/2876=9...(48) HB3 LYS 93 - HG2 ARG 89 OK 18 89 - 21 - 2885/1.8=2, 2861/2.8=2...(7) HB3 LEU 69 - HG2 ARG 89 OK 11 98 - 11 - 3.2/9893=2, 2885/1.8=1 HB ILE 101 - HG2 ARG 89 lone 10 99 - 10 - ~10143=1, 2885/1.8=1 HB3 GLN 111 - HG2 ARG 89 lone 9 100 - 9 - 2885/1.8=1, 3.0/11485=1 HB2 GLN 62 - HG2 ARG 89 lone 8 100 - 7 - 2876=1, 2885/1.8=1 HB3 LYS 24 - HG2 ARG 89 lone 6 100 - 6 - HB3 ARG 141 - HG2 ARG 89 lone 5 77 - 7 - QE MET 68 - HG2 ARG 89 lone 3 62 - 5 - HB2 MET 59 - HG2 ARG 89 lone 1 77 - 2 - Peak 2878 from aliabs.peaks (1.67, 1.67, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 89 + HG2 ARG 89 OK 100 100 - 100 Peak 2879 from aliabs.peaks (1.72, 1.67, 27.30 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HG3 ARG 89 + HG2 ARG 89 OK 100 100 - 100 - 1.8=100 HG3 ARG 140 - HG2 ARG 89 OK 44 62 - 70 - 2.9/2877=6, 2.9/2876=5...(49) HB3 ARG 109 - HG2 ARG 89 OK 18 100 - 18 - 11118/2.8=3, 2863/2.8=2...(7) HB3 GLU 81 - HG2 ARG 89 lone 7 100 - 7 - HB2 GLU 81 - HG2 ARG 89 lone 4 68 - 6 - HB3 ARG 144 - HG2 ARG 89 lone 4 98 - 4 - HD2 LYS 36 - HG2 ARG 89 lone 3 94 - 3 - HB ILE 58 - HG2 ARG 89 lone 3 94 - 3 - HB2 LYS 85 - HG2 ARG 89 lone 2 96 - 2 - Peak 2880 from aliabs.peaks (3.25, 1.67, 27.30 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.96: * HD2 ARG 89 + HG2 ARG 89 OK 91 100 - 91 - 3.0=58, 2888/1.8=17...(34) HD3 ARG 89 + HG2 ARG 89 OK 60 68 - 89 - 3.0=58, 1.8/2894=13...(35) HB2 TYR 112 - HG2 ARG 89 lone 5 98 - 5 - Peak 2881 from aliabs.peaks (3.23, 1.67, 27.30 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.96: * HD3 ARG 89 + HG2 ARG 89 OK 91 100 - 91 - 3.0=58, 2889/1.8=17...(35) HD2 ARG 89 + HG2 ARG 89 OK 60 68 - 89 - 3.0=58, 1.8/2902=13...(34) HD3 ARG 124 - HG2 ARG 89 poor 8 77 - 10 - 2889/1.8=1, 2873/2.8=1 Peak 2883 from aliabs.peaks (4.30, 1.72, 27.30 ppm; 3.13 A): 2 out of 5 assignments used, quality = 0.98: * HA ARG 89 + HG3 ARG 89 OK 92 100 - 92 - 3.8=58, 2875/1.8=23...(28) HA ARG 140 + HG3 ARG 89 OK 70 92 - 77 - 2875/1.8=13, 3.0/2885=9...(42) HA PRO 118 - HG3 ARG 89 OK 30 96 - 31 - 2875/1.8=5, 2859/2.8=4...(8) HA SER 100 - HG3 ARG 89 OK 12 100 - 12 - 2875/1.8=3, 2867/2.8=2...(5) HA THR 18 - HG3 ARG 89 lone 3 62 - 4 - 2875/1.8=1 Peak 2884 from aliabs.peaks (1.93, 1.72, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB2 ARG 89 + HG3 ARG 89 OK 94 100 - 94 - 2.8=70, 1.8/2885=13...(47) HB2 ARG 140 + HG3 ARG 89 OK 72 96 - 75 - 1.8/2885=9, 2876/1.8=9...(47) HG2 PRO 52 - HG3 ARG 89 OK 27 98 - 28 - 2.3/2888=3, 2876/1.8=3...(10) HB ILE 136 - HG3 ARG 89 OK 27 100 - 27 - 2885=3, 2876/1.8=3...(9) HB3 PRO 52 - HG3 ARG 89 OK 26 99 - 26 - 2876/1.8=3, 3.0/2888=3...(8) HB2 PRO 118 - HG3 ARG 89 OK 23 100 - 23 - 2.3/2883=3, 2876/1.8=2...(7) HG13 ILE 83 - HG3 ARG 89 OK 13 99 - 13 - ~8950=2, 2876/1.8=1, 2892/3.0=1 HG3 PRO 12 - HG3 ARG 89 lone 4 85 - 5 - HB3 LEU 132 - HG3 ARG 89 lone 4 98 - 4 - HG2 PRO 12 - HG3 ARG 89 lone 2 62 - 4 - HB2 LYS 86 - HG3 ARG 89 lone 1 81 - 1 - Peak 2885 from aliabs.peaks (1.90, 1.72, 27.30 ppm; 2.50 A): 2 out of 11 assignments used, quality = 0.98: * HB3 ARG 89 + HG3 ARG 89 OK 94 100 - 94 - 2.8=70, 2877/1.8=12...(49) HB3 ARG 140 + HG3 ARG 89 OK 69 92 - 75 - 2877/1.8=9, 1.8/2884=9...(47) HB3 LYS 93 - HG3 ARG 89 OK 18 89 - 20 - 2877/1.8=2, 2861/2.8=2...(6) HB3 LEU 69 - HG3 ARG 89 OK 10 98 - 11 - 2877/1.8=1 HB ILE 101 - HG3 ARG 89 lone 9 99 - 9 - ~10143=1, 2877/1.8=1 HB3 GLN 111 - HG3 ARG 89 lone 9 100 - 9 - 2877/1.8=1 HB2 GLN 62 - HG3 ARG 89 lone 7 100 - 7 - 2884=1, 2877/1.8=1 HB3 LYS 24 - HG3 ARG 89 lone 6 100 - 6 - HB3 ARG 141 - HG3 ARG 89 lone 5 77 - 6 - QE MET 68 - HG3 ARG 89 lone 2 62 - 3 - HB2 MET 59 - HG3 ARG 89 lone 1 77 - 1 - Peak 2886 from aliabs.peaks (1.67, 1.72, 27.30 ppm; 2.50 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HG3 ARG 89 OK 100 100 - 100 - 1.8=100 HG2 ARG 140 + HG3 ARG 89 OK 58 81 - 72 - 2.9/2885=6, 2.9/2884=5...(49) HG13 ILE 136 - HG3 ARG 89 OK 24 100 - 24 - 2862/2.8=2, 2870/2.8=2...(8) HD3 LYS 93 - HG3 ARG 89 OK 21 100 - 22 - 2870/2.8=2, 2862/2.8=2...(7) HG2 ARG 124 - HG3 ARG 89 poor 9 81 - 10 - HB2 MET 68 - HG3 ARG 89 lone 6 96 - 7 - HD2 LYS 48 - HG3 ARG 89 lone 6 100 - 6 - HB VAL 71 - HG3 ARG 89 lone 5 100 - 5 - HD3 LYS 48 - HG3 ARG 89 lone 5 94 - 6 - HB2 LEU 95 - HG3 ARG 89 lone 5 100 - 5 - HB2 ARG 145 - HG3 ARG 89 lone 5 100 - 5 - HB2 PRO 57 - HG3 ARG 89 lone 1 92 - 1 - HB2 LYS 114 - HG3 ARG 89 lone 1 62 - 1 - Peak 2887 from aliabs.peaks (1.72, 1.72, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 89 + HG3 ARG 89 OK 100 100 - 100 Peak 2888 from aliabs.peaks (3.25, 1.72, 27.30 ppm; 2.56 A): 2 out of 3 assignments used, quality = 0.97: * HD2 ARG 89 + HG3 ARG 89 OK 93 100 - 93 - 3.0=63, 2880/1.8=19...(34) HD3 ARG 89 + HG3 ARG 89 OK 62 68 - 91 - 3.0=63, 1.8/2895=16...(34) HB2 TYR 112 - HG3 ARG 89 lone 5 98 - 5 - Peak 2889 from aliabs.peaks (3.23, 1.72, 27.30 ppm; 2.56 A): 2 out of 3 assignments used, quality = 0.97: * HD3 ARG 89 + HG3 ARG 89 OK 93 100 - 93 - 3.0=63, 2881/1.8=18...(34) HD2 ARG 89 + HG3 ARG 89 OK 62 68 - 92 - 3.0=63, 1.8/2903=17...(34) HD3 ARG 124 - HG3 ARG 89 poor 8 77 - 10 - 2881/1.8=2, 2873/2.8=1 Peak 2891 from aliabs.peaks (4.30, 3.25, 43.17 ppm; 3.72 A): 2 out of 5 assignments used, quality = 0.98: * HA ARG 89 + HD2 ARG 89 OK 94 100 - 94 - 5.5=32, 2875/3.0=23...(28) HA ARG 140 + HD2 ARG 89 OK 75 92 - 81 - 2875/3.0=12, 2883/3.0=11...(34) HA PRO 118 - HD2 ARG 89 OK 30 96 - 32 - 2875/3.0=5, 2883/3.0=5...(11) HA SER 100 - HD2 ARG 89 OK 11 100 - 11 - 2867/3.5=3, 2875/3.0=3...(5) HA THR 18 - HD2 ARG 89 lone 3 62 - 4 - 2883/3.0=1, 2875/3.0=1 Peak 2892 from aliabs.peaks (1.93, 3.25, 43.17 ppm; 3.03 A): 2 out of 11 assignments used, quality = 0.99: * HB2 ARG 89 + HD2 ARG 89 OK 98 100 - 98 - 3.5=62, 2.8/2880=17...(40) HB2 ARG 140 + HD2 ARG 89 OK 75 96 - 78 - 1.8/2893=10, 2884/3.0=8...(44) HB ILE 136 - HD2 ARG 89 OK 30 100 - 30 - 2893=4, ~10334=3...(10) HG2 PRO 52 - HD2 ARG 89 OK 24 98 - 25 - 2.3/1338=4, 1370=4...(9) HB3 PRO 52 - HD2 ARG 89 OK 24 99 - 24 - 2.3/1370=4, 3.0/1338=4...(7) HB2 PRO 118 - HD2 ARG 89 OK 21 100 - 21 - 2.3/2891=3, 2876/3.0=2...(11) HG13 ILE 83 - HD2 ARG 89 OK 19 99 - 20 - 3.2/8950=11, 2876/3.0=1...(4) HG3 PRO 12 - HD2 ARG 89 lone 4 85 - 4 - HB3 LEU 132 - HD2 ARG 89 lone 3 98 - 3 - HG2 PRO 12 - HD2 ARG 89 lone 2 62 - 3 - HB2 LYS 86 - HD2 ARG 89 lone 1 81 - 1 - Peak 2893 from aliabs.peaks (1.90, 3.25, 43.17 ppm; 3.16 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ARG 89 + HD2 ARG 89 OK 99 100 - 99 - 3.5=71, 1.8/2864=19...(43) HB3 ARG 140 + HD2 ARG 89 OK 74 92 - 81 - 1.8/2892=11, 2885/3.0=9...(44) HB3 LYS 93 - HD2 ARG 89 OK 17 89 - 19 - 2885/3.0=2, 2877/3.0=2...(6) HB ILE 101 - HD2 ARG 89 OK 11 99 - 11 - ~10143=4, 2.1/10143=1...(4) HB3 LEU 69 - HD2 ARG 89 OK 11 98 - 11 - ~9929=1, 2877/3.0=1...(6) HB3 GLN 111 - HD2 ARG 89 lone 9 100 - 8 - 2885/3.0=1, 2877/3.0=1 HB2 GLN 62 - HD2 ARG 89 lone 7 100 - 7 - 2892=1, 2885/3.0=1 HB3 LYS 24 - HD2 ARG 89 lone 5 100 - 5 - HB3 ARG 141 - HD2 ARG 89 lone 4 77 - 5 - QE MET 68 - HD2 ARG 89 lone 2 62 - 4 - HB2 MET 59 - HD2 ARG 89 lone 2 77 - 3 - 8299/8950=1 Peak 2894 from aliabs.peaks (1.67, 3.25, 43.17 ppm; 2.90 A): 2 out of 13 assignments used, quality = 1.00: * HG2 ARG 89 + HD2 ARG 89 OK 99 100 - 99 - 3.0=91, 2881/1.8=22...(37) HG2 ARG 140 + HD2 ARG 89 OK 55 81 - 68 - 1.8/2895=8, 2.9/2893=6...(35) HG13 ILE 136 - HD2 ARG 89 OK 24 100 - 24 - ~10334=3, 2886/3.0=2...(7) HD3 LYS 93 - HD2 ARG 89 OK 17 100 - 17 - 2886/3.0=2, 2870/3.5=2...(5) HG2 ARG 124 - HD2 ARG 89 poor 8 81 - 10 - 2886/3.0=1 HB2 LEU 95 - HD2 ARG 89 lone 6 100 - 6 - 11042/8950=1 HB2 MET 68 - HD2 ARG 89 lone 5 96 - 5 - HD2 LYS 48 - HD2 ARG 89 lone 4 100 - 4 - HB VAL 71 - HD2 ARG 89 lone 4 100 - 4 - HD3 LYS 48 - HD2 ARG 89 lone 4 94 - 4 - HB2 ARG 145 - HD2 ARG 89 lone 4 100 - 4 - HB2 PRO 57 - HD2 ARG 89 lone 2 92 - 2 - HB2 LYS 114 - HD2 ARG 89 lone 1 62 - 1 - Peak 2895 from aliabs.peaks (1.72, 3.25, 43.17 ppm; 3.16 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 89 + HD2 ARG 89 OK 100 100 - 100 - 3.0=100 HG3 ARG 140 + HD2 ARG 89 OK 47 62 - 75 - 1.8/2894=10, 2.9/2893=8...(40) HB3 ARG 109 - HD2 ARG 89 OK 20 100 - 20 - 11118/3.5=4, 2879/3.0=3...(8) HB3 GLU 81 - HD2 ARG 89 lone 7 100 - 7 - 2879/3.0=1, 2871/3.5=1 HB3 ARG 144 - HD2 ARG 89 lone 5 98 - 5 - HB2 GLU 81 - HD2 ARG 89 lone 4 68 - 6 - HD2 LYS 36 - HD2 ARG 89 lone 4 94 - 4 - HB ILE 58 - HD2 ARG 89 lone 3 94 - 3 - HB2 LYS 85 - HD2 ARG 89 lone 2 96 - 2 - Peak 2896 from aliabs.peaks (3.25, 3.25, 43.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 89 + HD2 ARG 89 OK 100 100 - 100 Peak 2897 from aliabs.peaks (3.23, 3.25, 43.17 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HD2 ARG 89 + HD2 ARG 89 OK 68 68 - 100 Reference assignment not found: HD3 ARG 89 - HD2 ARG 89 Peak 2899 from aliabs.peaks (4.30, 3.23, 43.17 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.98: * HA ARG 89 + HD3 ARG 89 OK 94 100 - 94 - 5.5=32, 2875/3.0=23...(27) HA ARG 140 + HD3 ARG 89 OK 75 92 - 81 - 2875/3.0=12, 2883/3.0=12...(33) HA PRO 118 - HD3 ARG 89 OK 30 96 - 31 - 2875/3.0=5, 2883/3.0=5...(11) HA SER 100 - HD3 ARG 89 OK 13 100 - 13 - 2867/3.5=3, 2875/3.0=3...(5) HA THR 18 - HD3 ARG 89 lone 3 62 - 4 - 2883/3.0=1, 2875/3.0=1 Peak 2900 from aliabs.peaks (1.93, 3.23, 43.17 ppm; 2.96 A): 2 out of 11 assignments used, quality = 0.99: * HB2 ARG 89 + HD3 ARG 89 OK 97 100 - 97 - 3.5=59, 2864/1.8=17...(40) HB2 ARG 140 + HD3 ARG 89 OK 72 96 - 75 - 1.8/2901=10, 2884/3.0=7...(42) HB ILE 136 - HD3 ARG 89 OK 29 100 - 29 - 2.1/10334=5, 2901=4...(10) HG2 PRO 52 - HD3 ARG 89 OK 22 98 - 22 - 1370/1.8=4, 2884/3.0=3...(8) HB2 PRO 118 - HD3 ARG 89 OK 21 100 - 21 - 2.3/2899=3, 2876/3.0=2...(10) HB3 PRO 52 - HD3 ARG 89 OK 19 99 - 19 - 2884/3.0=3, ~1370=3...(6) HG13 ILE 83 - HD3 ARG 89 OK 15 99 - 15 - ~8950=6, 2876/3.0=1, 2884/3.0=1 HB3 LEU 132 - HD3 ARG 89 lone 3 98 - 3 - HG3 PRO 12 - HD3 ARG 89 lone 3 85 - 3 - HG2 PRO 12 - HD3 ARG 89 lone 2 62 - 2 - HB2 LYS 86 - HD3 ARG 89 lone 1 81 - 1 - Peak 2901 from aliabs.peaks (1.90, 3.23, 43.17 ppm; 3.06 A): 2 out of 11 assignments used, quality = 0.99: * HB3 ARG 89 + HD3 ARG 89 OK 98 100 - 98 - 3.5=64, 2.8/2881=17...(43) HB3 ARG 140 + HD3 ARG 89 OK 71 92 - 77 - 1.8/2900=11, 2885/3.0=9...(42) HB3 LYS 93 - HD3 ARG 89 OK 16 89 - 18 - 2885/3.0=2, 2877/3.0=2...(5) HB ILE 101 - HD3 ARG 89 OK 13 99 - 14 - 2.1/10143=5, ~10143=2...(5) HB3 LEU 69 - HD3 ARG 89 lone 9 98 - 10 - 3.2/9929=2, 2877/3.0=1...(5) HB3 GLN 111 - HD3 ARG 89 lone 7 100 - 7 - 2885/3.0=1, 2877/3.0=1 HB2 GLN 62 - HD3 ARG 89 lone 7 100 - 7 - 2900=1 HB3 LYS 24 - HD3 ARG 89 lone 5 100 - 5 - HB3 ARG 141 - HD3 ARG 89 lone 4 77 - 6 - QE MET 68 - HD3 ARG 89 lone 2 62 - 4 - HB2 MET 59 - HD3 ARG 89 lone 1 77 - 2 - Peak 2902 from aliabs.peaks (1.67, 3.23, 43.17 ppm; 2.88 A): 2 out of 13 assignments used, quality = 0.99: * HG2 ARG 89 + HD3 ARG 89 OK 99 100 - 99 - 3.0=89, 2880/1.8=22...(37) HG2 ARG 140 + HD3 ARG 89 OK 54 81 - 66 - 1.8/2903=8, 2.9/2900=7...(32) HG13 ILE 136 - HD3 ARG 89 OK 24 100 - 25 - 2.3/10334=5, 2886/3.0=2...(7) HD3 LYS 93 - HD3 ARG 89 OK 17 100 - 17 - 2886/3.0=2, 2870/3.5=2...(5) HG2 ARG 124 - HD3 ARG 89 lone 8 81 - 10 - 2886/3.0=1 HB2 MET 68 - HD3 ARG 89 lone 5 96 - 6 - HB2 LEU 95 - HD3 ARG 89 lone 5 100 - 5 - HB VAL 71 - HD3 ARG 89 lone 4 100 - 4 - HD2 LYS 48 - HD3 ARG 89 lone 4 100 - 4 - HD3 LYS 48 - HD3 ARG 89 lone 4 94 - 4 - HB2 ARG 145 - HD3 ARG 89 lone 4 100 - 4 - HB2 PRO 57 - HD3 ARG 89 lone 2 92 - 2 - HB2 LYS 114 - HD3 ARG 89 lone 1 62 - 1 - Peak 2903 from aliabs.peaks (1.72, 3.23, 43.17 ppm; 3.05 A): 1 out of 9 assignments used, quality = 1.00: * HG3 ARG 89 + HD3 ARG 89 OK 100 100 - 100 - 3.0=100 HG3 ARG 140 - HD3 ARG 89 OK 44 62 - 71 - 1.8/2902=9, 2.9/2900=8...(38) HB3 ARG 109 - HD3 ARG 89 OK 19 100 - 19 - 11118/3.5=3, 2879/3.0=3...(7) HB3 GLU 81 - HD3 ARG 89 lone 6 100 - 6 - 2879/3.0=1, 2871/3.5=1 HB3 ARG 144 - HD3 ARG 89 lone 4 98 - 4 - HB2 GLU 81 - HD3 ARG 89 lone 4 68 - 5 - HD2 LYS 36 - HD3 ARG 89 lone 3 94 - 3 - HB ILE 58 - HD3 ARG 89 lone 3 94 - 3 - HB2 LYS 85 - HD3 ARG 89 lone 2 96 - 2 - Peak 2904 from aliabs.peaks (3.25, 3.23, 43.17 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HD3 ARG 89 + HD3 ARG 89 OK 68 68 - 100 Reference assignment not found: HD2 ARG 89 - HD3 ARG 89 Peak 2905 from aliabs.peaks (3.23, 3.23, 43.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 89 + HD3 ARG 89 OK 100 100 - 100 Peak 2908 from aliabs.peaks (4.08, 4.08, 58.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 90 + HA GLU 90 OK 100 100 - 100 Peak 2909 from aliabs.peaks (2.02, 4.08, 58.53 ppm; 3.19 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 90 + HA GLU 90 OK 100 100 - 100 - 3.0=100 HB3 GLU 90 + HA GLU 90 OK 72 72 - 100 - 3.0=100 HB3 LYS 34 - HA GLU 90 OK 37 68 - 56 - 2926/3.0=7, 1.8/494=6...(24) QE MET 113 - HA GLU 90 OK 34 72 - 46 - 3.3/2912=7, 10252/2.9=6...(19) HB3 GLU 37 - HA GLU 90 OK 30 94 - 32 - 10515=6, 1.8/10766=5...(12) HB2 GLU 37 - HA GLU 90 OK 26 89 - 29 - 10766=6, 1.8/10766=6...(10) HG3 GLU 122 - HA GLU 90 lone 10 99 - 10 - 2920/3.0=2 HB VAL 63 - HA GLU 90 lone 5 72 - 7 - ~10074=1, 7051/3.6=1 QE MET 59 - HA GLU 90 lone 3 89 - 4 - 10403/5.0=1 Peak 2910 from aliabs.peaks (2.00, 4.08, 58.53 ppm; 3.29 A): 3 out of 10 assignments used, quality = 1.00: * HB3 GLU 90 + HA GLU 90 OK 100 100 - 100 - 3.0=100 HB2 GLU 90 + HA GLU 90 OK 72 72 - 100 - 3.0=100 QE MET 113 + HA GLU 90 OK 55 100 - 55 - 10252/2.9=11, 3726/3.8=9...(21) HB2 GLN 111 - HA GLU 90 OK 13 85 - 15 - 1.8/2916=3, ~11690=2...(4) HG3 PRO 52 - HA GLU 90 OK 11 99 - 11 - 7040/2.9=2, 2920/3.0=1 HG3 GLU 122 - HA GLU 90 lone 9 89 - 10 - 2920/3.0=1 HB VAL 63 - HA GLU 90 lone 7 100 - 7 - ~10074=1 QE MET 11 - HA GLU 90 lone 6 89 - 7 - 7051/3.6=2 QE MET 59 - HA GLU 90 lone 5 99 - 5 - 10403/5.0=2 HB3 ARG 124 - HA GLU 90 lone 3 81 - 3 - Peak 2911 from aliabs.peaks (2.27, 4.08, 58.53 ppm; 3.30 A): 2 out of 8 assignments used, quality = 0.98: * HG2 GLU 90 + HA GLU 90 OK 96 100 - 96 - 3.8=65, 2931/2.9=27...(19) HB3 MET 113 + HA GLU 90 OK 60 100 - 60 - 2928/3.0=10, 2921/3.0=10...(23) HG3 PRO 129 - HA GLU 90 poor 10 85 - 11 - 2942/3.8=2, 2928/3.0=2...(6) HG3 GLN 62 - HA GLU 90 lone 6 72 - 8 - 2.9/2916=2 HG2 GLU 131 - HA GLU 90 lone 5 100 - 5 - HG2 GLN 62 - HA GLU 90 lone 5 77 - 7 - 2.9/2916=2 HG3 GLU 142 - HA GLU 90 lone 3 100 - 3 - HG2 GLU 120 - HA GLU 90 lone 2 85 - 2 - Peak 2912 from aliabs.peaks (2.26, 4.08, 58.53 ppm; 3.25 A): 2 out of 6 assignments used, quality = 0.98: * HG3 GLU 90 + HA GLU 90 OK 96 100 - 96 - 3.8=62, 2938/2.9=26...(22) HG2 MET 113 + HA GLU 90 OK 62 96 - 64 - 2929/3.0=8, 2922/3.0=8...(27) HB3 MET 113 - HA GLU 90 OK 34 68 - 51 - 2928/3.0=6, 2921/3.0=5...(23) HG3 PRO 129 - HA GLU 90 OK 11 96 - 11 - 2936/3.8=2, 2929/3.0=2...(6) HG2 GLN 62 - HA GLU 90 lone 9 99 - 9 - 2.9/2916=1 HG3 GLN 62 - HA GLU 90 lone 9 100 - 8 - 2.9/2916=1 Peak 2915 from aliabs.peaks (1.84, 4.08, 58.53 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.55: * HB2 LYS 93 + HA GLU 90 OK 55 100 - 55 - 3021=25, 1.8/3033=19...(8) HB VAL 80 - HA GLU 90 lone 3 68 - 5 - 2.1/8958=3 HB3 GLU 28 - HA GLU 90 lone 1 62 - 2 - Peak 2916 from aliabs.peaks (1.89, 4.08, 58.53 ppm; 3.46 A): 6 out of 11 assignments used, quality = 0.87: * HB3 LYS 93 + HA GLU 90 OK 63 100 - 63 - 1.8/2915=33, 3033=25...(8) HB3 ARG 89 + HA GLU 90 OK 41 89 - 46 - 2874/2.9=19, ~2866=15...(8) HB3 ARG 140 + HA GLU 90 OK 13 100 - 13 - 4724/4.9=4, 7033/2.9=3...(4) HB3 GLN 111 + HA GLU 90 OK 12 94 - 13 - ~11690=2, 1.8/2910=2...(5) HB ILE 101 + HA GLU 90 OK 12 72 - 16 - 3.2/8958=4, 2.1/8958=4, ~9180=1 HB2 GLN 62 + HA GLU 90 OK 10 96 - 10 - 2.9/2912=1, 7032/2.9=1 HB3 LYS 24 - HA GLU 90 poor 10 94 - 10 - 3025/2915=2, 11328/3033=1 HB3 LEU 69 - HA GLU 90 lone 5 68 - 7 - ~10075=2, 7033/2.9=2 HB3 ARG 141 - HA GLU 90 lone 4 100 - 4 - 3025/2915=1 HB3 LYS 48 - HA GLU 90 lone 3 57 - 5 - 3025/2915=1 HB2 LYS 36 - HA GLU 90 lone 0 57 - 1 - Peak 2918 from aliabs.peaks (4.08, 2.02, 28.78 ppm; 3.46 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 90 + HB2 GLU 90 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB2 GLU 90 OK 53 100 - 54 - 2939/3.0=7, 485=7...(23) HA VAL 53 - HB2 GLU 90 OK 18 100 - 18 - 7049/4.7=3, 7038/3.9=2...(6) HA LEU 132 - HB2 GLU 90 OK 13 100 - 13 - 2939/3.0=2, 2932/3.0=2...(8) HA LEU 26 - HB2 GLU 90 poor 7 62 - 11 - 2939/3.0=2, 2932/3.0=1...(5) HD3 PRO 118 - HB2 GLU 90 lone 3 77 - 4 - Peak 2919 from aliabs.peaks (2.02, 2.02, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 90 + HB2 GLU 90 OK 100 100 - 100 Peak 2920 from aliabs.peaks (2.00, 2.02, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 0.72: HB2 GLU 90 + HB2 GLU 90 OK 72 72 - 100 Reference assignment not found: HB3 GLU 90 - HB2 GLU 90 Peak 2921 from aliabs.peaks (2.27, 2.02, 28.78 ppm; 2.96 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 90 + HB2 GLU 90 OK 99 100 - 99 - 3.0=97, 1.8/2940=26...(20) HB3 MET 113 + HB2 GLU 90 OK 69 100 - 69 - 3702/3.0=11, 2911/3.0=7...(39) HG3 PRO 129 - HB2 GLU 90 OK 14 85 - 16 - 2942/3.0=3, 2936/3.0=1...(9) HG2 GLU 131 - HB2 GLU 90 lone 5 100 - 5 - HG3 GLN 62 - HB2 GLU 90 lone 4 72 - 6 - HG2 GLN 62 - HB2 GLU 90 lone 4 77 - 5 - HG3 GLU 142 - HB2 GLU 90 lone 3 100 - 3 - HG2 GLU 120 - HB2 GLU 90 lone 2 85 - 2 - Peak 2922 from aliabs.peaks (2.26, 2.02, 28.78 ppm; 3.12 A): 3 out of 6 assignments used, quality = 1.00: * HG3 GLU 90 + HB2 GLU 90 OK 100 100 - 100 - 3.0=100 HG2 MET 113 + HB2 GLU 90 OK 73 96 - 76 - 1.8/10072=9, 2936/3.0=8...(46) HB3 MET 113 + HB2 GLU 90 OK 47 68 - 69 - 3.0/10071=7, 3702/3.0=6...(39) HG3 PRO 129 - HB2 GLU 90 OK 18 96 - 19 - 2936/3.0=3, 2942/3.0=2...(10) HG2 GLN 62 - HB2 GLU 90 lone 8 99 - 8 - HG3 GLN 62 - HB2 GLU 90 lone 7 100 - 7 - Peak 2925 from aliabs.peaks (4.08, 2.00, 28.78 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 90 + HB3 GLU 90 OK 100 100 - 100 - 3.0=100 HA LYS 34 + HB3 GLU 90 OK 50 100 - 50 - 3.0/2926=9, 2939/3.0=7...(20) HA VAL 53 - HB3 GLU 90 OK 18 100 - 18 - 7049/4.7=3, 7038/3.9=2...(6) HA LEU 132 - HB3 GLU 90 OK 15 100 - 15 - 2939/3.0=2, 2932/3.0=2...(9) HA LEU 26 - HB3 GLU 90 poor 7 62 - 11 - 2939/3.0=2, 3.8/10583=1...(5) HD3 PRO 118 - HB3 GLU 90 lone 3 77 - 4 - Peak 2926 from aliabs.peaks (2.02, 2.00, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 0.72: HB3 GLU 90 + HB3 GLU 90 OK 72 72 - 100 Reference assignment not found: HB2 GLU 90 - HB3 GLU 90 Peak 2927 from aliabs.peaks (2.00, 2.00, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 90 + HB3 GLU 90 OK 100 100 - 100 Peak 2928 from aliabs.peaks (2.27, 2.00, 28.78 ppm; 2.93 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 90 + HB3 GLU 90 OK 99 100 - 99 - 3.0=94, 2933/1.8=24...(20) HB3 MET 113 + HB3 GLU 90 OK 68 100 - 68 - 3702/3.0=11, 3704=7...(35) HG3 PRO 129 - HB3 GLU 90 OK 14 85 - 16 - 2942/3.0=3, 2936/3.0=1...(9) HG2 GLU 131 - HB3 GLU 90 lone 5 100 - 4 - HG3 GLN 62 - HB3 GLU 90 lone 4 72 - 5 - HG2 GLN 62 - HB3 GLU 90 lone 4 77 - 5 - HG3 GLU 142 - HB3 GLU 90 lone 3 100 - 3 - HG2 GLU 120 - HB3 GLU 90 lone 1 85 - 1 - Peak 2929 from aliabs.peaks (2.26, 2.00, 28.78 ppm; 3.06 A): 3 out of 6 assignments used, quality = 1.00: * HG3 GLU 90 + HB3 GLU 90 OK 100 100 - 100 - 3.0=100 HG2 MET 113 + HB3 GLU 90 OK 73 96 - 76 - 1.8/11642=9, 2936/3.0=8...(44) HB3 MET 113 + HB3 GLU 90 OK 45 68 - 67 - 3.0/11642=7, 3702/3.0=6...(36) HG3 PRO 129 - HB3 GLU 90 OK 18 96 - 18 - 2936/3.0=3, 2942/3.0=2...(9) HG2 GLN 62 - HB3 GLU 90 lone 7 99 - 7 - HG3 GLN 62 - HB3 GLU 90 lone 7 100 - 6 - Peak 2932 from aliabs.peaks (4.08, 2.27, 36.00 ppm; 3.01 A): 2 out of 6 assignments used, quality = 0.94: * HA GLU 90 + HG2 GLU 90 OK 91 100 - 91 - 3.8=49, 2.9/2931=22...(19) HA LYS 34 + HG2 GLU 90 OK 32 100 - 33 - 2939/1.8=8, 3.0/2933=7...(8) HA VAL 53 - HG2 GLU 90 lone 9 100 - 9 - 2939/1.8=2, 2925/3.0=2...(4) HA LEU 132 - HG2 GLU 90 lone 9 100 - 8 - 2939/1.8=3, 2925/3.0=2...(4) HA LEU 26 - HG2 GLU 90 lone 4 62 - 6 - 2939/1.8=2, 2918/3.0=1 HD3 PRO 118 - HG2 GLU 90 lone 1 77 - 1 - Peak 2933 from aliabs.peaks (2.02, 2.27, 36.00 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.95: * HB2 GLU 90 + HG2 GLU 90 OK 87 100 - 87 - 3.0=58, 2940/1.8=20...(20) HB3 GLU 90 + HG2 GLU 90 OK 61 72 - 84 - 3.0=58, 1.8/2921=12...(19) QE MET 113 - HG2 GLU 90 OK 31 72 - 43 - 3725=8, 3726/1.8=6...(17) HB3 LYS 34 - HG2 GLU 90 OK 21 68 - 31 - 2940/1.8=7, 2926/3.0=4...(9) HB3 GLU 37 - HG2 GLU 90 OK 13 94 - 14 - 2941/1.8=3, 10515/3.8=2...(4) HB2 GLU 37 - HG2 GLU 90 OK 11 89 - 12 - 2941/1.8=2, 10515/3.8=2...(4) HG3 GLU 122 - HG2 GLU 90 lone 5 99 - 5 - 2941/1.8=1 HB VAL 63 - HG2 GLU 90 lone 2 72 - 3 - QE MET 59 - HG2 GLU 90 lone 1 89 - 1 - Peak 2934 from aliabs.peaks (2.00, 2.27, 36.00 ppm; 2.50 A): 3 out of 10 assignments used, quality = 0.97: * HB3 GLU 90 + HG2 GLU 90 OK 85 100 - 85 - 3.0=58, 2941/1.8=16...(19) HB2 GLU 90 + HG2 GLU 90 OK 62 72 - 86 - 3.0=58, 2940/1.8=14...(20) QE MET 113 + HG2 GLU 90 OK 50 100 - 50 - 3725=14, 3726/1.8=11...(18) HG3 PRO 52 - HG2 GLU 90 lone 5 99 - 5 - 2941/1.8=1 HB2 GLN 111 - HG2 GLU 90 lone 5 85 - 5 - HG3 GLU 122 - HG2 GLU 90 lone 4 89 - 5 - HB VAL 63 - HG2 GLU 90 lone 3 100 - 3 - QE MET 11 - HG2 GLU 90 lone 2 89 - 2 - QE MET 59 - HG2 GLU 90 lone 1 99 - 1 - HB3 ARG 124 - HG2 GLU 90 lone 1 81 - 1 - Peak 2935 from aliabs.peaks (2.27, 2.27, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 90 + HG2 GLU 90 OK 100 100 - 100 Peak 2936 from aliabs.peaks (2.26, 2.27, 36.00 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 90 + HG2 GLU 90 OK 100 100 - 100 - 1.8=100 HG2 MET 113 + HG2 GLU 90 OK 64 96 - 66 - 3709=7, 1.8/3717=6...(38) HB3 MET 113 - HG2 GLU 90 OK 40 68 - 59 - 3702/1.8=7, 1.8/3692=6...(33) HG3 PRO 129 - HG2 GLU 90 OK 22 96 - 22 - 1.8/4395=2, 2942/1.8=2...(14) HG3 GLN 62 - HG2 GLU 90 lone 5 100 - 5 - HG2 GLN 62 - HG2 GLU 90 lone 5 99 - 5 - Peak 2939 from aliabs.peaks (4.08, 2.26, 36.00 ppm; 2.98 A): 2 out of 6 assignments used, quality = 0.94: * HA GLU 90 + HG3 GLU 90 OK 92 100 - 92 - 3.8=47, 2.9/2938=22...(22) HA LYS 34 + HG3 GLU 90 OK 35 100 - 35 - 2932/1.8=7, 3.0/2940=7...(9) HA LEU 132 - HG3 GLU 90 OK 11 100 - 11 - 3.8/9576=3, 2932/1.8=2...(5) HA VAL 53 - HG3 GLU 90 lone 9 100 - 9 - 2932/1.8=2, 2925/3.0=2...(4) HA LEU 26 - HG3 GLU 90 lone 5 62 - 8 - 4.0/10972=2, 2932/1.8=1...(5) HD3 PRO 118 - HG3 GLU 90 lone 1 77 - 2 - Peak 2940 from aliabs.peaks (2.02, 2.26, 36.00 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.95: * HB2 GLU 90 + HG3 GLU 90 OK 87 100 - 87 - 3.0=58, 2933/1.8=18...(23) HB3 GLU 90 + HG3 GLU 90 OK 60 72 - 83 - 3.0=58, 2934/1.8=11...(18) QE MET 113 - HG3 GLU 90 OK 32 72 - 45 - 3726=9, 2934/1.8=6...(19) HB3 LYS 34 - HG3 GLU 90 OK 21 68 - 31 - 2933/1.8=7, 2926/3.0=4...(8) HB3 GLU 37 - HG3 GLU 90 OK 13 94 - 14 - 2934/1.8=3, 10515/3.8=2...(4) HB2 GLU 37 - HG3 GLU 90 OK 11 89 - 12 - 2934/1.8=2, 10515/3.8=2...(4) HG3 GLU 122 - HG3 GLU 90 lone 5 99 - 5 - HB VAL 63 - HG3 GLU 90 lone 2 72 - 3 - QE MET 59 - HG3 GLU 90 lone 2 89 - 2 - Peak 2941 from aliabs.peaks (2.00, 2.26, 36.00 ppm; 2.50 A): 3 out of 10 assignments used, quality = 0.97: * HB3 GLU 90 + HG3 GLU 90 OK 84 100 - 84 - 3.0=58, 2934/1.8=16...(19) HB2 GLU 90 + HG3 GLU 90 OK 62 72 - 86 - 3.0=58, 2933/1.8=13...(20) QE MET 113 + HG3 GLU 90 OK 52 100 - 52 - 3726=15, 3725/1.8=9...(21) HG3 PRO 52 - HG3 GLU 90 lone 5 99 - 5 - HB2 GLN 111 - HG3 GLU 90 lone 4 85 - 5 - HG3 GLU 122 - HG3 GLU 90 lone 4 89 - 5 - HB VAL 63 - HG3 GLU 90 lone 4 100 - 4 - QE MET 11 - HG3 GLU 90 lone 2 89 - 3 - QE MET 59 - HG3 GLU 90 lone 2 99 - 2 - HB3 ARG 124 - HG3 GLU 90 lone 1 81 - 1 - Peak 2942 from aliabs.peaks (2.27, 2.26, 36.00 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 90 + HG3 GLU 90 OK 100 100 - 100 - 1.8=100 HB3 MET 113 + HG3 GLU 90 OK 66 100 - 67 - 3702=19, 1.8/3693=8...(32) HG3 PRO 129 - HG3 GLU 90 OK 20 85 - 24 - 1.8/4395=3, 2.3/4387=2...(13) HG2 GLU 131 - HG3 GLU 90 lone 4 100 - 4 - HG2 GLN 62 - HG3 GLU 90 lone 4 77 - 5 - HG3 GLN 62 - HG3 GLU 90 lone 4 72 - 5 - HG3 GLU 142 - HG3 GLU 90 lone 2 100 - 2 - HG2 GLU 120 - HG3 GLU 90 lone 1 85 - 1 - Peak 2943 from aliabs.peaks (2.26, 2.26, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 90 + HG3 GLU 90 OK 100 100 - 100 Peak 2946 from aliabs.peaks (3.71, 3.71, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 91 + HA ILE 91 OK 100 100 - 100 Peak 2947 from aliabs.peaks (2.40, 3.71, 62.40 ppm; 4.18 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.0=100 HG3 GLN 25 + HA ILE 91 OK 58 98 - 59 - 10937/3.2=7, ~10586=6...(24) HG3 MET 59 + HA ILE 91 OK 53 98 - 54 - 3.0/8963=6, 2964/3.2=6...(27) HG2 MET 46 + HA ILE 91 OK 52 96 - 54 - 10707/3.8=9, ~10700=8...(16) HG2 MET 59 + HA ILE 91 OK 50 92 - 54 - 3.0/8963=6, 2964/3.2=5...(27) HB3 PRO 118 - HA ILE 91 OK 11 89 - 12 - ~7047=1 HG3 GLN 133 - HA ILE 91 lone 5 68 - 7 - HG2 GLN 133 - HA ILE 91 lone 4 62 - 6 - Peak 2948 from aliabs.peaks (0.94, 3.71, 62.40 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.2=100 QG2 VAL 63 - HA ILE 91 OK 38 89 - 43 - 2957/3.0=5, 2989/4.2=4...(18) QG1 VAL 53 - HA ILE 91 OK 34 89 - 38 - 2.1/2950=5, 2957/3.0=5...(16) QG1 VAL 63 - HA ILE 91 OK 24 68 - 36 - 2957/3.0=4, 1801/3.2=4...(15) Peak 2949 from aliabs.peaks (1.44, 3.71, 62.40 ppm; 4.20 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.8=100 HB3 LYS 114 - HA ILE 91 OK 39 62 - 62 - 3.0/8964=10, 2982/3.8=8...(17) HD2 LYS 114 - HA ILE 91 OK 31 62 - 49 - 2.9/2950=8, 4.8/8964=6...(13) HG2 LYS 24 - HA ILE 91 OK 28 98 - 29 - 2966/3.2=4, 2958/3.0=4...(11) HG2 LYS 48 - HA ILE 91 OK 26 100 - 26 - 9801/3.0=6, ~9823=4...(8) HB3 LYS 123 - HA ILE 91 OK 25 77 - 33 - 3.0/2951=8, 4122/4.2=6...(9) Peak 2950 from aliabs.peaks (1.06, 3.71, 62.40 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + HA ILE 91 OK 100 100 - 100 - 3.8=100 HG3 LYS 114 + HA ILE 91 OK 48 85 - 56 - 2967/3.2=10, 2959/3.0=9...(15) HB2 LEU 116 - HA ILE 91 OK 31 89 - 35 - 2959/3.0=7, 2967/3.2=6...(9) HG2 ARG 35 - HA ILE 91 OK 12 92 - 13 - 2959/3.0=3, 2967/3.2=2...(5) Peak 2951 from aliabs.peaks (0.34, 3.71, 62.40 ppm; 3.17 A): 3 out of 3 assignments used, quality = 0.92: * QD1 ILE 91 + HA ILE 91 OK 85 100 - 85 - 4.2=44, 2968/3.2=20...(24) QD2 LEU 42 + HA ILE 91 OK 29 94 - 31 - 2968/3.2=6, 8154/3.8=6...(8) HG2 LYS 123 + HA ILE 91 OK 27 100 - 27 - 2968/3.2=5, 2960/3.0=5...(7) Peak 2953 from aliabs.peaks (4.19, 2.40, 35.83 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.96: * HA TRP 88 + HB ILE 91 OK 90 100 - 90 - 2828=27, 8976/2.1=22...(21) HA LEU 64 + HB ILE 91 OK 61 92 - 66 - 3.7/8968=16, 8976/2.1=12...(21) HA PHE 43 - HB ILE 91 OK 21 81 - 26 - 4.8/9817=7, 3.6/9793=4...(8) HA CYS 121 - HB ILE 91 lone 6 77 - 8 - 8976/2.1=1 Peak 2955 from aliabs.peaks (3.71, 2.40, 35.83 ppm; 5.08 A): 4 out of 4 assignments used, quality = 1.00: * HA ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.0=100 HA ILE 136 + HB ILE 91 OK 64 98 - 66 - 2963/2.1=9, 2987/3.2=9...(17) HB THR 74 + HB ILE 91 OK 61 100 - 61 - 2987/3.2=10, 2963/2.1=8...(19) HA THR 107 + HB ILE 91 OK 51 100 - 51 - 3.2/9253=8, 2963/2.1=7...(18) Peak 2956 from aliabs.peaks (2.40, 2.40, 35.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 91 + HB ILE 91 OK 100 100 - 100 Peak 2957 from aliabs.peaks (0.94, 2.40, 35.83 ppm; 3.54 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 91 + HB ILE 91 OK 100 100 - 100 - 2.1=100 QG2 VAL 63 + HB ILE 91 OK 56 89 - 63 - 2957=8, 2989/3.2=6...(25) QG1 VAL 53 + HB ILE 91 OK 48 89 - 55 - 2.1/8245=9, 1395/3.0=6...(18) QG1 VAL 63 - HB ILE 91 OK 40 68 - 60 - 2.1/8360=7, 1801/2.1=5...(26) Peak 2958 from aliabs.peaks (1.44, 2.40, 35.83 ppm; 4.17 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.0=100 HB3 LYS 114 + HB ILE 91 OK 55 62 - 87 - 2982/3.0=10, 2966/2.1=10...(40) HD2 LYS 114 + HB ILE 91 OK 52 62 - 83 - 2.9/2959=9, ~3803=8...(39) HB3 LYS 123 - HB ILE 91 OK 44 77 - 57 - 3.0/2960=8, ~4110=7...(20) HG2 LYS 24 - HB ILE 91 OK 41 98 - 42 - 2966/2.1=5, 2990/3.2=4...(15) HG2 LYS 48 - HB ILE 91 OK 33 100 - 33 - 9801=7, 1.8/9823=5...(9) Peak 2959 from aliabs.peaks (1.06, 2.40, 35.83 ppm; 4.12 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 114 + HB ILE 91 OK 74 85 - 86 - 2967/2.1=13, 2991/3.2=10...(41) HB2 LEU 116 + HB ILE 91 OK 56 89 - 63 - 2967/2.1=8, 3.0/10700=8...(21) HG2 ARG 35 - HB ILE 91 OK 21 92 - 23 - 2967/2.1=3, 2.9/11493=3...(9) Peak 2960 from aliabs.peaks (0.34, 2.40, 35.83 ppm; 4.14 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 91 + HB ILE 91 OK 100 100 - 100 - 3.2=100 QD2 LEU 42 + HB ILE 91 OK 67 94 - 71 - 2.1/8147=13, 8154/3.0=12...(22) HG2 LYS 123 + HB ILE 91 OK 63 100 - 63 - 2968/2.1=10, 2976/3.0=9...(23) Peak 2963 from aliabs.peaks (3.71, 0.94, 17.96 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 91 + QG2 ILE 91 OK 100 100 - 100 - 3.2=100 HA ILE 136 - QG2 ILE 91 OK 36 98 - 37 - 2963=8, 2987/3.3=4...(15) HB THR 74 - QG2 ILE 91 OK 33 100 - 33 - 2987/3.3=5, 2963=4...(12) HA THR 107 - QG2 ILE 91 OK 27 100 - 27 - 2963=5, 3.6/7272=3...(10) Peak 2964 from aliabs.peaks (2.40, 0.94, 17.96 ppm; 3.32 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + QG2 ILE 91 OK 100 100 - 100 - 2.1=100 HG3 GLN 25 + QG2 ILE 91 OK 61 98 - 63 - 10937=9, 1.8/10586=8...(26) HG2 MET 46 + QG2 ILE 91 OK 55 96 - 57 - 3.3/10700=8, 2964=6...(25) HG3 MET 59 + QG2 ILE 91 OK 50 98 - 51 - 2964=6, 3.0/8972=5...(32) HG2 MET 59 + QG2 ILE 91 OK 47 92 - 51 - 2964=6, 3.0/8972=5...(32) HB3 PRO 118 - QG2 ILE 91 lone 7 89 - 8 - HG3 GLN 133 - QG2 ILE 91 lone 3 68 - 5 - HG2 GLN 133 - QG2 ILE 91 lone 3 62 - 5 - Peak 2965 from aliabs.peaks (0.94, 0.94, 17.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 91 + QG2 ILE 91 OK 100 100 - 100 Peak 2966 from aliabs.peaks (1.44, 0.94, 17.96 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 91 + QG2 ILE 91 OK 100 100 - 100 - 3.2=100 HB3 LYS 114 + QG2 ILE 91 OK 48 62 - 77 - 2966=11, 2.9/2967=9...(39) HD2 LYS 114 + QG2 ILE 91 OK 45 62 - 73 - 2.9/2967=9, ~3803=6...(38) HG2 LYS 24 - QG2 ILE 91 OK 35 98 - 36 - 3.0/11577=4, 2958/2.1=3...(15) HB3 LYS 123 - QG2 ILE 91 OK 35 77 - 45 - 3.0/2968=7, 4122/3.3=5...(18) HG2 LYS 48 - QG2 ILE 91 OK 27 100 - 27 - 9801/2.1=5, ~9823=4...(9) Peak 2967 from aliabs.peaks (1.06, 0.94, 17.96 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + QG2 ILE 91 OK 100 100 - 100 - 3.2=98, 2.1/2968=29...(20) HG3 LYS 114 + QG2 ILE 91 OK 58 85 - 68 - 2967=8, 2991/3.3=7...(42) HB2 LEU 116 - QG2 ILE 91 OK 37 89 - 41 - 2967=6, 2959/2.1=5...(20) HG2 ARG 35 - QG2 ILE 91 OK 13 92 - 15 - 2959/2.1=2, 2975/3.2=1...(5) Peak 2968 from aliabs.peaks (0.34, 0.94, 17.96 ppm; 2.96 A): 2 out of 3 assignments used, quality = 0.96: * QD1 ILE 91 + QG2 ILE 91 OK 93 100 - 93 - 3.3=76, 2951/3.2=16...(28) QD2 LEU 42 + QG2 ILE 91 OK 41 94 - 43 - 8154/3.2=5, 2960/2.1=5...(17) HG2 LYS 123 - QG2 ILE 91 OK 37 100 - 37 - 2960/2.1=5, 2984/3.2=4...(16) Peak 2971 from aliabs.peaks (3.71, 1.44, 26.96 ppm; 4.75 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 3.8=100 HB THR 74 + HG12 ILE 91 OK 52 100 - 52 - 2987/2.1=10, ~8615=8...(13) HA ILE 136 - HG12 ILE 91 OK 45 98 - 46 - 2987/2.1=9, 2963/3.2=8...(13) HA THR 107 - HG12 ILE 91 OK 30 100 - 30 - 2963/3.2=6, 2987/2.1=6...(7) Peak 2972 from aliabs.peaks (2.40, 1.44, 26.96 ppm; 4.49 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 3.0=100 HG2 MET 46 + HG12 ILE 91 OK 77 96 - 80 - 10707/1.8=15, ~10700=10...(25) HG3 GLN 25 + HG12 ILE 91 OK 67 98 - 69 - 10937/3.2=8, 2988/2.1=7...(26) HG3 MET 59 + HG12 ILE 91 OK 60 98 - 61 - 2988/2.1=7, 2980/1.8=6...(27) HG2 MET 59 + HG12 ILE 91 OK 56 92 - 61 - 2988/2.1=6, 2980/1.8=6...(27) HB3 PRO 118 - HG12 ILE 91 OK 12 89 - 13 - ~8990=2, 2980/1.8=1...(5) HG3 GLN 133 - HG12 ILE 91 lone 5 68 - 7 - HG2 GLN 133 - HG12 ILE 91 lone 4 62 - 7 - Peak 2973 from aliabs.peaks (0.94, 1.44, 26.96 ppm; 3.87 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 3.2=100 QG2 VAL 63 + HG12 ILE 91 OK 52 89 - 58 - 2989/2.1=9, 2981/1.8=9...(20) QG1 VAL 53 + HG12 ILE 91 OK 50 89 - 57 - 2981/1.8=9, 2.1/2975=8...(18) QG1 VAL 63 - HG12 ILE 91 OK 39 68 - 58 - 2989/2.1=7, 2981/1.8=6...(21) Peak 2974 from aliabs.peaks (1.44, 1.44, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 91 + HG12 ILE 91 OK 100 100 - 100 Peak 2975 from aliabs.peaks (1.06, 1.44, 26.96 ppm; 3.61 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 1.8=100 HG3 LYS 114 + HG12 ILE 91 OK 68 85 - 79 - 2991/2.1=11, ~3770=10...(32) HB2 LEU 116 + HG12 ILE 91 OK 50 89 - 56 - 2991/2.1=8, ~3872=5...(21) HG2 ARG 35 - HG12 ILE 91 OK 16 92 - 18 - 2991/2.1=2, 2959/3.0=2...(9) Peak 2976 from aliabs.peaks (0.34, 1.44, 26.96 ppm; 4.02 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 91 + HG12 ILE 91 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 + HG12 ILE 91 OK 68 94 - 72 - 8154=15, 2984/1.8=12...(19) HG2 LYS 123 + HG12 ILE 91 OK 67 100 - 68 - 2984/1.8=11, ~4144=9...(25) Peak 2979 from aliabs.peaks (3.71, 1.06, 26.96 ppm; 5.70 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 3.8=100 HB THR 74 + HG13 ILE 91 OK 65 100 - 65 - 2971/1.8=11, ~8615=11...(15) HA ILE 136 + HG13 ILE 91 OK 53 98 - 54 - 2971/1.8=10, 2955/3.0=9...(12) HA THR 107 - HG13 ILE 91 OK 40 100 - 40 - 2955/3.0=7, 2963/3.2=7...(10) Peak 2980 from aliabs.peaks (2.40, 1.06, 26.96 ppm; 4.35 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 3.0=100 HG2 MET 46 + HG13 ILE 91 OK 78 96 - 81 - 10707=17, 3.3/10699=12...(26) HG3 GLN 25 + HG13 ILE 91 OK 68 98 - 70 - 10937/3.2=7, 2988/2.1=7...(27) HG3 MET 59 + HG13 ILE 91 OK 63 98 - 64 - 2988/2.1=7, 2980=6...(29) HG2 MET 59 + HG13 ILE 91 OK 59 92 - 64 - 2988/2.1=6, 2980=6...(29) HB3 PRO 118 - HG13 ILE 91 OK 14 89 - 16 - ~8990=1, 2988/2.1=1...(4) HG3 GLN 133 - HG13 ILE 91 lone 6 68 - 8 - HG2 GLN 133 - HG13 ILE 91 lone 5 62 - 8 - Peak 2981 from aliabs.peaks (0.94, 1.06, 26.96 ppm; 3.47 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 3.2=100 QG1 VAL 53 + HG13 ILE 91 OK 51 89 - 57 - 1395=8, 2.1/1390=8...(19) QG2 VAL 63 + HG13 ILE 91 OK 48 89 - 55 - 2981=9, 2989/2.1=8...(20) QG1 VAL 63 - HG13 ILE 91 OK 36 68 - 54 - 2.1/2981=7, 2989/2.1=6...(21) Peak 2982 from aliabs.peaks (1.44, 1.06, 26.96 ppm; 3.71 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 1.8=100 HB3 LYS 114 + HG13 ILE 91 OK 55 62 - 88 - 1.8/3747=13, 2982=13...(38) HD2 LYS 114 + HG13 ILE 91 OK 54 62 - 87 - 1.8/3803=14, 2.9/3770=12...(39) HB3 LYS 123 - HG13 ILE 91 OK 40 77 - 52 - 3.0/2984=7, ~4110=7...(17) HG2 LYS 24 - HG13 ILE 91 OK 40 98 - 40 - 2990/2.1=5, ~10899=4...(17) HG2 LYS 48 - HG13 ILE 91 OK 29 100 - 29 - 9801/3.0=5, ~9823=3...(7) Peak 2983 from aliabs.peaks (1.06, 1.06, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 91 + HG13 ILE 91 OK 100 100 - 100 Peak 2984 from aliabs.peaks (0.34, 1.06, 26.96 ppm; 3.83 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 91 + HG13 ILE 91 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 + HG13 ILE 91 OK 65 94 - 69 - 8154/1.8=12, ~8145=8...(23) HG2 LYS 123 + HG13 ILE 91 OK 61 100 - 61 - 2976/1.8=10, ~4144=8...(19) Peak 2987 from aliabs.peaks (3.71, 0.34, 10.47 ppm; 3.23 A): 3 out of 4 assignments used, quality = 0.94: * HA ILE 91 + QD1 ILE 91 OK 86 100 - 86 - 4.2=46, 3.2/2968=21...(25) HB THR 74 + QD1 ILE 91 OK 37 100 - 37 - 4.0/11678=7, 2987=6...(14) HA ILE 136 + QD1 ILE 91 OK 33 98 - 34 - 2987=8, 2963/3.3=4...(12) HA THR 107 - QD1 ILE 91 OK 21 100 - 21 - 2987=4, 2963/3.3=3...(7) Peak 2988 from aliabs.peaks (2.40, 0.34, 10.47 ppm; 3.66 A): 5 out of 8 assignments used, quality = 1.00: * HB ILE 91 + QD1 ILE 91 OK 100 100 - 100 - 3.2=100 HG2 MET 46 + QD1 ILE 91 OK 60 96 - 63 - 10707/2.1=9, 3.3/10702=8...(24) HG3 GLN 25 + QD1 ILE 91 OK 55 98 - 56 - 10937/3.3=6, 3.9/11619=5...(28) HG3 MET 59 + QD1 ILE 91 OK 50 98 - 51 - 2988=5, 2964/3.3=4...(26) HG2 MET 59 + QD1 ILE 91 OK 47 92 - 51 - 2988=5, 1.8/2988=4...(26) HB3 PRO 118 - QD1 ILE 91 poor 10 89 - 11 - 3.0/8990=2, 9911/8541=1 HG3 GLN 133 - QD1 ILE 91 poor 7 68 - 10 - 9911/8541=2, 4.0/8990=2 HG2 GLN 133 - QD1 ILE 91 lone 6 62 - 10 - 9911/8541=2, 4.0/8990=2 Peak 2989 from aliabs.peaks (0.94, 0.34, 10.47 ppm; 2.93 A): 2 out of 4 assignments used, quality = 0.95: * QG2 ILE 91 + QD1 ILE 91 OK 92 100 - 92 - 3.3=74, 3.2/2951=16...(29) QG2 VAL 63 + QD1 ILE 91 OK 40 89 - 45 - 2989=9, 2981/2.1=5...(19) QG1 VAL 53 - QD1 ILE 91 OK 32 89 - 36 - 1395/2.1=6, 2.1/2991=5...(14) QG1 VAL 63 - QD1 ILE 91 OK 28 68 - 41 - 2.1/2989=6, 2981/2.1=4...(17) Peak 2990 from aliabs.peaks (1.44, 0.34, 10.47 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 91 + QD1 ILE 91 OK 100 100 - 100 - 2.1=100 HB3 LYS 114 + QD1 ILE 91 OK 45 62 - 73 - 2990=12, 2982/2.1=8...(35) HD2 LYS 114 - QD1 ILE 91 OK 43 62 - 69 - 2.9/2991=8, ~3803=7...(33) HB3 LYS 123 - QD1 ILE 91 OK 43 77 - 56 - 1.8/4110=8, 3.0/4144=7...(21) HG2 LYS 24 - QD1 ILE 91 OK 34 98 - 34 - 3.0/8981=4, 2982/2.1=3...(15) HG2 LYS 48 - QD1 ILE 91 OK 23 100 - 23 - 9801/3.2=3, 2982/2.1=2...(8) Peak 2991 from aliabs.peaks (1.06, 0.34, 10.47 ppm; 3.26 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 91 + QD1 ILE 91 OK 100 100 - 100 - 2.1=100 HG3 LYS 114 + QD1 ILE 91 OK 66 85 - 77 - 2991=9, 2975/2.1=8...(38) HB2 LEU 116 + QD1 ILE 91 OK 45 89 - 51 - 3.2/10230=7, 2991=7...(20) HG2 ARG 35 - QD1 ILE 91 OK 14 92 - 15 - 2975/2.1=2, 2967/3.3=2...(5) Peak 2992 from aliabs.peaks (0.34, 0.34, 10.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 91 + QD1 ILE 91 OK 100 100 - 100 Peak 2995 from aliabs.peaks (3.66, 3.66, 66.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 92 + HA THR 92 OK 100 100 - 100 Peak 2996 from aliabs.peaks (4.25, 3.66, 66.86 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 92 + HA THR 92 OK 100 100 - 100 - 3.0=100 HA ARG 141 - HA THR 92 OK 19 72 - 27 - 7085/3.6=4, 3007/3.2=3...(10) HA GLU 142 - HA THR 92 OK 19 100 - 19 - 3007/3.2=3, 7075/2.9=2...(9) HA2 GLY 50 - HA THR 92 lone 8 100 - 8 - 1301/9101=1, 9113/9116=1 HA ALA 135 - HA THR 92 lone 3 81 - 4 - Peak 2997 from aliabs.peaks (1.16, 3.66, 66.86 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * QG2 THR 92 + HA THR 92 OK 100 100 - 100 - 3.2=100 HG LEU 64 + HA THR 92 OK 52 92 - 56 - 2.1/9017=9, 3003/3.0=8...(19) HG2 LYS 76 - HA THR 92 OK 31 92 - 34 - 10090/4.8=5, 7086/3.6=5...(16) Peak 2999 from aliabs.peaks (4.30, 4.25, 67.40 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.79: * HA ARG 89 + HB THR 92 OK 79 100 - 79 - 2858=41, 8947/2.1=23...(11) HA SER 100 - HB THR 92 lone 5 100 - 5 - HA ARG 140 - HB THR 92 lone 5 92 - 6 - 3.6/7840=2 HA PRO 118 - HB THR 92 lone 3 96 - 3 - HA THR 18 - HB THR 92 lone 3 62 - 4 - ~11281=2 Peak 3001 from aliabs.peaks (3.66, 4.25, 67.40 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 92 + HB THR 92 OK 100 100 - 100 - 3.0=100 HA ILE 83 - HB THR 92 OK 38 85 - 44 - 3006/2.1=8, 3.2/9019=8...(15) HA2 GLY 94 - HB THR 92 OK 37 77 - 48 - ~10087=11, 3006/2.1=8...(12) Peak 3002 from aliabs.peaks (4.25, 4.25, 67.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 92 + HB THR 92 OK 100 100 - 100 Peak 3003 from aliabs.peaks (1.16, 4.25, 67.40 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * QG2 THR 92 + HB THR 92 OK 100 100 - 100 - 2.1=100 HG LEU 64 + HB THR 92 OK 52 92 - 56 - 2.1/9019=10, ~9027=9...(16) HG2 LYS 76 - HB THR 92 OK 26 92 - 28 - 2997/3.0=4, 7086/4.7=3...(15) Peak 3006 from aliabs.peaks (3.66, 1.16, 21.95 ppm; 2.92 A): 3 out of 3 assignments used, quality = 0.94: * HA THR 92 + QG2 THR 92 OK 89 100 - 89 - 3.2=75, 2.9/3005=18...(15) HA ILE 83 + QG2 THR 92 OK 29 85 - 34 - 3.2/9027=7, 3001/2.1=5...(16) HA2 GLY 94 + QG2 THR 92 OK 27 77 - 35 - 3.0/10087=10, 3.5/9058=5...(12) Peak 3007 from aliabs.peaks (4.25, 1.16, 21.95 ppm; 2.61 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 92 + QG2 THR 92 OK 100 100 - 100 - 2.1=100 HA GLU 142 - QG2 THR 92 OK 11 100 - 11 - 3.0/10097=2, 2996/3.2=2 HA ARG 141 - QG2 THR 92 poor 8 72 - 12 - 2996/3.2=2, 7085/4.4=1 HA2 GLY 50 - QG2 THR 92 lone 5 100 - 5 - HA ALA 135 - QG2 THR 92 lone 2 81 - 2 - Peak 3008 from aliabs.peaks (1.16, 1.16, 21.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 92 + QG2 THR 92 OK 100 100 - 100 Peak 3011 from aliabs.peaks (4.22, 4.22, 58.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 93 + HA LYS 93 OK 100 100 - 100 Peak 3012 from aliabs.peaks (1.84, 4.22, 58.61 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 93 + HA LYS 93 OK 100 100 - 100 - 3.0=100 HB3 GLU 28 - HA LYS 93 poor 10 62 - 16 - 3036/3.0=2, 3058/4.0=2...(8) HB VAL 80 - HA LYS 93 lone 4 68 - 6 - 3036/3.0=1, 3058/4.0=1 Peak 3013 from aliabs.peaks (1.89, 4.22, 58.61 ppm; 2.85 A): 1 out of 11 assignments used, quality = 0.98: * HB3 LYS 93 + HA LYS 93 OK 98 100 - 98 - 3.0=90, 1.8/3012=20...(36) HB3 LYS 24 - HA LYS 93 OK 33 94 - 36 - 3.0/3015=5, 10887/4.0=4...(21) HB3 ARG 89 - HA LYS 93 OK 23 89 - 26 - ~7079=4, ~10068=4...(7) HB3 ARG 141 - HA LYS 93 OK 21 100 - 21 - 3025/3.0=2, 7089/2.9=2...(8) HB ILE 101 - HA LYS 93 OK 17 72 - 24 - 2.1/3337=2, 3329=2...(8) HB3 LYS 48 - HA LYS 93 OK 17 57 - 29 - 1.8/1148=4, 3.6/3016=3...(14) HB3 ARG 140 - HA LYS 93 OK 15 100 - 15 - 3025/3.0=2, 7089/2.9=1...(4) HB3 LEU 69 - HA LYS 93 lone 6 68 - 9 - 3.2/9933=2, ~9038=1 HB2 LYS 36 - HA LYS 93 lone 5 57 - 9 - 3.0/3015=2 HB3 GLN 111 - HA LYS 93 lone 5 94 - 5 - HB2 GLN 62 - HA LYS 93 lone 2 96 - 2 - Peak 3014 from aliabs.peaks (1.54, 4.22, 58.61 ppm; 3.28 A): 4 out of 8 assignments used, quality = 0.99: * HG2 LYS 93 + HA LYS 93 OK 95 100 - 95 - 4.0=57, 1.8/3015=21...(38) HG3 LYS 85 + HA LYS 93 OK 50 81 - 61 - 1.8/2605=9, 2616=8...(29) HG3 LYS 76 + HA LYS 93 OK 49 94 - 52 - 1.8/10090=8, 3047/3.0=7...(23) HD2 LYS 76 + HA LYS 93 OK 48 99 - 49 - 3.0/10090=7, 3038/3.0=5...(23) QB ALA 135 - HA LYS 93 OK 13 100 - 13 - 7090/2.9=2, 2.9/7732=1...(6) HB2 LEU 29 - HA LYS 93 lone 7 96 - 7 - HB2 GLU 122 - HA LYS 93 lone 4 81 - 5 - HB3 LEU 79 - HA LYS 93 lone 3 89 - 3 - 8890/10064=1 Peak 3015 from aliabs.peaks (1.41, 4.22, 58.61 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.95: * HG3 LYS 93 + HA LYS 93 OK 95 100 - 95 - 4.0=60, 2.9/3012=19...(38) HD2 LYS 114 - HA LYS 93 OK 20 85 - 23 - 3039/3.0=6, 3027/3.0=6...(7) HG LEU 116 - HA LYS 93 OK 17 81 - 20 - 3027/3.0=3, 3039/3.0=3...(9) HG2 LYS 36 - HA LYS 93 OK 14 77 - 18 - 3039/3.0=3, 3027/3.0=3...(7) HB2 ARG 35 - HA LYS 93 lone 6 89 - 7 - 3039/3.0=2, 3027/3.0=1 Peak 3016 from aliabs.peaks (1.71, 4.22, 58.61 ppm; 3.65 A): 3 out of 5 assignments used, quality = 0.99: * HD2 LYS 93 + HA LYS 93 OK 97 100 - 97 - 4.9=42, 3069/3.0=31...(48) HB3 LEU 95 + HA LYS 93 OK 56 99 - 57 - 4.6/10090=17...(18) HB2 LYS 85 + HA LYS 93 OK 51 77 - 66 - 1.8/2594=9, 3.0/2605=8...(27) HD2 LYS 86 - HA LYS 93 OK 15 96 - 16 - 3028/3.0=2, 3040/3.0=2...(7) HB3 ARG 109 - HA LYS 93 lone 6 62 - 9 - 3548/3.6=1 Peak 3017 from aliabs.peaks (1.66, 4.22, 58.61 ppm; 3.55 A): 4 out of 13 assignments used, quality = 1.00: * HD3 LYS 93 + HA LYS 93 OK 96 100 - 96 - 4.9=39, 3.0/3015=18...(46) HD2 LYS 48 + HA LYS 93 OK 76 100 - 76 - 3080/3.0=9, 1.8/3068=6...(46) HD3 LYS 48 + HA LYS 93 OK 68 92 - 74 - 3080/3.0=7, 3041/3.0=5...(44) HB2 LEU 95 + HA LYS 93 OK 49 100 - 49 - 4.6/10090=16, 1.8/3016=9...(13) HG13 ILE 136 - HA LYS 93 OK 33 100 - 33 - 3078/2.9=5, 3080/3.0=5...(11) HG2 ARG 89 - HA LYS 93 OK 25 100 - 25 - 2.8/3013=3, 2877/3.0=3...(10) HG2 ARG 140 - HA LYS 93 OK 15 85 - 18 - 2.9/3013=2, 4735/3.0=2...(6) HB2 PRO 57 - HA LYS 93 OK 15 94 - 16 - 1517/4.0=2, 3041/3.0=2...(6) HB2 LYS 114 - HA LYS 93 OK 13 68 - 19 - 3.6/3015=3, 3748/4.0=3...(7) HB2 MET 68 - HA LYS 93 lone 6 94 - 6 - HB VAL 71 - HA LYS 93 lone 5 100 - 5 - HG2 ARG 124 - HA LYS 93 lone 3 85 - 3 - HB2 ARG 145 - HA LYS 93 lone 3 99 - 3 - Peak 3018 from aliabs.peaks (2.95, 4.22, 58.61 ppm; 4.08 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 93 + HA LYS 93 OK 95 100 - 95 - 5.9=33, 3.8/3015=19...(42) HE2 LYS 48 + HA LYS 93 OK 82 100 - 82 - 3.0/3016=7, 3091/3.0=7...(45) HE3 LYS 93 + HA LYS 93 OK 81 85 - 95 - 5.9=33, 3.8/3015=19...(43) HE3 LYS 48 + HA LYS 93 OK 78 100 - 79 - 3.0/3016=7, 3091/3.0=7...(41) HE2 LYS 85 + HA LYS 93 OK 77 100 - 77 - 3.5/2605=8, 3.5/2616=8...(36) HE3 LYS 85 + HA LYS 93 OK 72 96 - 75 - 3.5/2605=8, 3.5/2616=8...(36) HB2 PHE 106 - HA LYS 93 lone 4 100 - 4 - HB2 TYR 115 - HA LYS 93 lone 3 100 - 3 - HB3 PHE 67 - HA LYS 93 lone 2 100 - 2 - HB2 TYR 119 - HA LYS 93 lone 1 72 - 2 - HB3 ASN 130 - HA LYS 93 lone 1 68 - 1 - Peak 3019 from aliabs.peaks (2.94, 4.22, 58.61 ppm; 4.00 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 93 + HA LYS 93 OK 94 100 - 94 - 5.9=31, 3.8/3015=18...(42) HE2 LYS 93 + HA LYS 93 OK 81 85 - 94 - 5.9=31, 3.8/3015=18...(41) HE3 LYS 85 + HA LYS 93 OK 75 99 - 76 - 3102/3.0=8, 3.5/2605=8...(36) HE3 LYS 48 + HA LYS 93 OK 73 94 - 78 - 3102/3.0=7, 3.0/3016=7...(41) HE2 LYS 85 + HA LYS 93 OK 66 89 - 75 - 3.5/2605=8, 3.5/2616=8...(36) HE2 LYS 48 + HA LYS 93 OK 65 81 - 79 - 3.0/3016=7, 3.0/3017=6...(45) HB2 PHE 106 - HA LYS 93 lone 2 77 - 3 - HB2 TYR 119 - HA LYS 93 lone 2 100 - 2 - HB2 TYR 115 - HA LYS 93 lone 2 81 - 2 - HB3 ASN 130 - HA LYS 93 lone 2 99 - 2 - HB3 PHE 67 - HA LYS 93 lone 1 77 - 2 - Peak 3021 from aliabs.peaks (4.08, 1.84, 32.09 ppm; 3.54 A): 4 out of 6 assignments used, quality = 0.82: * HA GLU 90 + HB2 LYS 93 OK 68 100 - 68 - 2915=46, 3033/1.8=19...(8) HA VAL 53 + HB2 LYS 93 OK 21 100 - 21 - 3033/1.8=7, 3.0/10092=5...(4) HA LEU 26 + HB2 LYS 93 OK 20 62 - 31 - 3033/1.8=9, 3.6/3032=5...(8) HA LEU 132 + HB2 LYS 93 OK 12 100 - 12 - 3033/1.8=4, 4477/2.9=3...(4) HA LYS 34 - HB2 LYS 93 lone 8 100 - 8 - 3033/1.8=2, 7080/4.1=1 HD3 PRO 118 - HB2 LYS 93 lone 2 77 - 3 - Peak 3023 from aliabs.peaks (4.22, 1.84, 32.09 ppm; 3.13 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 3.0=100 HA LYS 85 + HB2 LYS 93 OK 48 92 - 52 - 3035/1.8=7, 2.9/3028=6...(26) HA THR 102 - HB2 LYS 93 OK 25 92 - 27 - 3035/1.8=4, 3370/3.0=4...(10) HB THR 102 - HB2 LYS 93 OK 20 85 - 24 - 3035/1.8=3, 3374/3.0=3...(11) HA ILE 101 - HB2 LYS 93 OK 20 85 - 23 - 3035/1.8=4, 3.0/3025=2...(7) HA ARG 141 - HB2 LYS 93 OK 15 62 - 24 - 3.0/3025=3, 3035/1.8=2...(8) HA PHE 45 - HB2 LYS 93 lone 10 98 - 10 - 3035/1.8=2 HA ALA 134 - HB2 LYS 93 poor 10 85 - 11 - 3035/1.8=2, ~9637=1...(4) Peak 3024 from aliabs.peaks (1.84, 1.84, 32.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 93 + HB2 LYS 93 OK 100 100 - 100 Peak 3025 from aliabs.peaks (1.89, 1.84, 32.09 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 1.8=100 HB3 LYS 24 - HB2 LYS 93 OK 39 94 - 42 - 3.0/3027=4, 11328/1.8=4...(19) HB3 LYS 48 - HB2 LYS 93 OK 23 57 - 40 - 3.6/3069=4, 3.6/3080=4...(11) HB3 ARG 141 - HB2 LYS 93 OK 21 100 - 21 - 3013/3.0=2, 3059/2.9=1...(5) HB3 ARG 89 - HB2 LYS 93 OK 19 89 - 22 - 3013/3.0=2, 7089/4.1=1...(10) HB3 ARG 140 - HB2 LYS 93 OK 17 100 - 17 - 3059/2.9=1, 2.9/3029=1...(4) HB ILE 101 - HB2 LYS 93 OK 13 72 - 18 - 3013/3.0=1, 3.0/3023=1 HB2 LYS 36 - HB2 LYS 93 poor 6 57 - 10 - 3.0/3027=2 HB3 GLN 111 - HB2 LYS 93 lone 5 94 - 5 - HB3 LEU 69 - HB2 LYS 93 lone 5 68 - 7 - HB2 GLN 62 - HB2 LYS 93 lone 2 96 - 2 - Peak 3026 from aliabs.peaks (1.54, 1.84, 32.09 ppm; 3.23 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 2.9=100 HD2 LYS 76 + HB2 LYS 93 OK 66 99 - 66 - 3.0/3047=7, 3038/1.8=7...(38) HG3 LYS 76 + HB2 LYS 93 OK 65 94 - 69 - 3047=13, 3038/1.8=7...(38) HG3 LYS 85 + HB2 LYS 93 OK 65 81 - 80 - 3038/1.8=8, 3.0/3028=6...(47) QB ALA 135 - HB2 LYS 93 OK 13 100 - 13 - 4586/2915=2, 3038/1.8=1...(4) HB2 LEU 29 - HB2 LYS 93 OK 12 96 - 13 - 3038/1.8=1, 3060/2.9=1 HB3 LEU 79 - HB2 LYS 93 lone 5 89 - 5 - HB2 GLU 122 - HB2 LYS 93 lone 4 81 - 4 - Peak 3027 from aliabs.peaks (1.41, 1.84, 32.09 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 2.9=100 HD2 LYS 114 - HB2 LYS 93 OK 39 85 - 46 - 3039/1.8=7, 3072/3.4=5...(18) HG LEU 116 - HB2 LYS 93 OK 24 81 - 29 - 3039/1.8=4, ~10229=4...(13) HG2 LYS 36 - HB2 LYS 93 OK 20 77 - 25 - 3039/1.8=4, 3072/3.4=2...(5) HB2 ARG 35 - HB2 LYS 93 poor 10 89 - 11 - 3039/1.8=2, 3072/3.4=1 Peak 3028 from aliabs.peaks (1.71, 1.84, 32.09 ppm; 3.25 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 93 + HB2 LYS 93 OK 99 100 - 99 - 3.4=84, 1.8/3080=22...(93) HB2 LYS 85 + HB2 LYS 93 OK 54 77 - 71 - 3040/1.8=9, 3062/2.9=7...(45) HB3 LEU 95 + HB2 LYS 93 OK 49 99 - 50 - 3040/1.8=8, 3062/2.9=6...(19) HD2 LYS 86 - HB2 LYS 93 OK 13 96 - 14 - 3040/1.8=2, 3016/3.0=2...(4) HB3 ARG 109 - HB2 LYS 93 lone 4 62 - 7 - Peak 3029 from aliabs.peaks (1.66, 1.84, 32.09 ppm; 3.21 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 93 + HB2 LYS 93 OK 99 100 - 99 - 3.4=80, 1.8/3069=36...(88) HD2 LYS 48 + HB2 LYS 93 OK 88 100 - 88 - 3080=13, 1.8/3069=12...(68) HD3 LYS 48 + HB2 LYS 93 OK 80 92 - 87 - 1.8/3080=11, 3080=10...(69) HB2 LEU 95 - HB2 LYS 93 OK 44 100 - 44 - 1.8/3028=8, 3130/3.4=5...(18) HG13 ILE 136 - HB2 LYS 93 OK 41 100 - 41 - 3080=7, 3041/1.8=4...(16) HG2 ARG 89 - HB2 LYS 93 OK 31 100 - 31 - 2877/1.8=3, 2.8/3025=3...(11) HB2 PRO 57 - HB2 LYS 93 OK 24 94 - 26 - 3041/1.8=3, 1517/2.9=2...(11) HB2 LYS 114 - HB2 LYS 93 OK 24 68 - 36 - 3.6/3027=4, ~3760=3...(18) HG2 ARG 140 - HB2 LYS 93 OK 20 85 - 23 - 4735/1.8=2, 2.9/3025=2...(5) HB VAL 71 - HB2 LYS 93 lone 6 100 - 6 - HG2 ARG 124 - HB2 LYS 93 lone 5 85 - 6 - 11071/4301=1 HB2 MET 68 - HB2 LYS 93 lone 5 94 - 5 - HB2 ARG 145 - HB2 LYS 93 lone 3 99 - 3 - Peak 3030 from aliabs.peaks (2.95, 1.84, 32.09 ppm; 4.13 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 93 + HB2 LYS 93 OK 100 100 - 100 - 5.1=52, 3.0/3069=36...(97) HE2 LYS 48 + HB2 LYS 93 OK 96 100 - 96 - 3.0/3069=13, 3.0/3080=11...(110) HE2 LYS 85 + HB2 LYS 93 OK 96 100 - 96 - 1.8/3102=11, 3091=9...(105) HE3 LYS 48 + HB2 LYS 93 OK 94 100 - 95 - 3.0/3069=13, 3.0/3080=11...(97) HE3 LYS 85 + HB2 LYS 93 OK 92 96 - 95 - 3102=9, 1.8/3091=8...(111) HE3 LYS 93 + HB2 LYS 93 OK 85 85 - 100 - 5.1=52, 3.0/3069=36...(108) HB2 PHE 106 - HB2 LYS 93 lone 4 100 - 4 - HB2 TYR 115 - HB2 LYS 93 lone 4 100 - 4 - HB3 ASN 130 - HB2 LYS 93 lone 3 68 - 4 - 4.0/10092=2 HB3 PHE 67 - HB2 LYS 93 lone 2 100 - 2 - HB2 TYR 119 - HB2 LYS 93 lone 1 72 - 2 - Peak 3031 from aliabs.peaks (2.94, 1.84, 32.09 ppm; 3.94 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 93 + HB2 LYS 93 OK 99 100 - 99 - 5.1=45, 3.0/3069=34...(107) HE3 LYS 85 + HB2 LYS 93 OK 93 99 - 94 - 3102=12, 1.8/3091=8...(105) HE3 LYS 48 + HB2 LYS 93 OK 88 94 - 93 - 3.0/3069=12, 3.0/3080=11...(92) HE2 LYS 93 + HB2 LYS 93 OK 85 85 - 99 - 5.1=45, 3.0/3069=34...(97) HE2 LYS 85 + HB2 LYS 93 OK 83 89 - 94 - 1.8/3102=10, 3102=8...(97) HE2 LYS 48 + HB2 LYS 93 OK 77 81 - 95 - 3.0/3069=12, 3.0/3080=11...(106) HB3 ASN 130 - HB2 LYS 93 lone 4 99 - 4 - 4.0/10092=2 HB2 PHE 106 - HB2 LYS 93 lone 2 77 - 3 - HB2 TYR 115 - HB2 LYS 93 lone 2 81 - 3 - HB2 TYR 119 - HB2 LYS 93 lone 2 100 - 2 - HB3 PHE 67 - HB2 LYS 93 lone 1 77 - 2 - Peak 3033 from aliabs.peaks (4.08, 1.89, 32.09 ppm; 3.33 A): 4 out of 6 assignments used, quality = 0.75: * HA GLU 90 + HB3 LYS 93 OK 58 100 - 58 - 2915/1.8=30, 2916=20...(8) HA VAL 53 + HB3 LYS 93 OK 21 100 - 21 - 3.0/10093=6, 3021/1.8=5...(5) HA LEU 26 + HB3 LYS 93 OK 17 62 - 28 - 3021/1.8=7, 3.6/3044=4...(7) HA LEU 132 + HB3 LYS 93 OK 11 100 - 11 - 3021/1.8=3, 4477/2.9=2 HA LYS 34 - HB3 LYS 93 lone 7 100 - 7 - 3021/1.8=2 HD3 PRO 118 - HB3 LYS 93 lone 2 77 - 2 - Peak 3035 from aliabs.peaks (4.22, 1.89, 32.09 ppm; 3.02 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 3.0=100 HA LYS 85 - HB3 LYS 93 OK 45 92 - 49 - 3023/1.8=7, 2.9/3040=6...(25) HA THR 102 - HB3 LYS 93 OK 24 92 - 26 - 3023/1.8=4, 3370/3.0=3...(8) HA ILE 101 - HB3 LYS 93 OK 22 85 - 25 - 3023/1.8=3, 3322=2...(9) HB THR 102 - HB3 LYS 93 OK 19 85 - 23 - 3023/1.8=3, 3374/3.0=3...(10) HA ARG 141 - HB3 LYS 93 OK 17 62 - 27 - 4771=2, 3.8/4807=2...(12) HA PHE 45 - HB3 LYS 93 lone 9 98 - 10 - 3023/1.8=1 HA ALA 134 - HB3 LYS 93 poor 9 85 - 11 - 3023/1.8=1, ~9637=1 Peak 3036 from aliabs.peaks (1.84, 1.89, 32.09 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 1.8=100 HB3 GLU 28 - HB3 LYS 93 OK 10 62 - 16 - 3058/2.9=2, 3069/3.4=2...(8) HB VAL 80 - HB3 LYS 93 lone 6 68 - 8 - 3058/2.9=1 Peak 3037 from aliabs.peaks (1.89, 1.89, 32.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 93 + HB3 LYS 93 OK 100 100 - 100 Peak 3038 from aliabs.peaks (1.54, 1.89, 32.09 ppm; 3.14 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 2.9=100 HD2 LYS 76 + HB3 LYS 93 OK 63 99 - 64 - 3026/1.8=7, 3060/2.9=5...(37) HG3 LYS 85 + HB3 LYS 93 OK 63 81 - 77 - 3026/1.8=7, 3.0/3040=6...(42) HG3 LYS 76 + HB3 LYS 93 OK 63 94 - 66 - 3047/1.8=10, 3048=7...(34) QB ALA 135 - HB3 LYS 93 OK 13 100 - 12 - 3026/1.8=1, 3014/3.0=1 HB2 LEU 29 - HB3 LYS 93 OK 11 96 - 11 - 3026/1.8=1 HB3 LEU 79 - HB3 LYS 93 lone 4 89 - 4 - HB2 GLU 122 - HB3 LYS 93 lone 3 81 - 4 - Peak 3039 from aliabs.peaks (1.41, 1.89, 32.09 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 93 + HB3 LYS 93 OK 100 100 - 100 - 2.9=100 HD2 LYS 114 - HB3 LYS 93 OK 36 85 - 43 - 3027/1.8=6, 3072/3.4=4...(18) HG LEU 116 - HB3 LYS 93 OK 20 81 - 24 - 2.1/10229=5, 3027/1.8=4...(9) HG2 LYS 36 - HB3 LYS 93 OK 18 77 - 23 - 3027/1.8=3, 3072/3.4=2...(5) HB2 ARG 35 - HB3 LYS 93 poor 9 89 - 10 - 3027/1.8=2, 3072/3.4=1 Peak 3040 from aliabs.peaks (1.71, 1.89, 32.09 ppm; 3.16 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 93 + HB3 LYS 93 OK 99 100 - 99 - 3.4=77, 3069/1.8=35...(89) HB2 LYS 85 + HB3 LYS 93 OK 52 77 - 68 - 3028/1.8=8, 3062/2.9=6...(42) HB3 LEU 95 + HB3 LYS 93 OK 48 99 - 49 - 3028/1.8=7, 3062/2.9=6...(19) HD2 LYS 86 - HB3 LYS 93 OK 12 96 - 12 - 3028/1.8=2, 3016/3.0=1...(4) HB3 ARG 109 - HB3 LYS 93 lone 4 62 - 6 - 1.8/10728=1 Peak 3041 from aliabs.peaks (1.66, 1.89, 32.09 ppm; 3.00 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 93 + HB3 LYS 93 OK 98 100 - 98 - 3.4=66, 3080/1.8=20...(78) HD2 LYS 48 + HB3 LYS 93 OK 81 100 - 81 - 3080/1.8=10, ~3069=6...(50) HD3 LYS 48 + HB3 LYS 93 OK 73 92 - 80 - 3080/1.8=7, ~3080=6...(51) HB2 LEU 95 - HB3 LYS 93 OK 40 100 - 41 - 1.8/3040=7, 3130/3.4=4...(15) HG13 ILE 136 - HB3 LYS 93 OK 37 100 - 37 - 3080/1.8=5, 3081=3...(14) HG2 ARG 89 - HB3 LYS 93 OK 30 100 - 30 - 2877=3, 1.8/2885=3...(13) HB2 PRO 57 - HB3 LYS 93 OK 21 94 - 23 - 3029/1.8=2, 1517/2.9=2...(7) HB2 LYS 114 - HB3 LYS 93 OK 21 68 - 31 - 3.6/3039=4, ~3760=3...(17) HG2 ARG 140 - HB3 LYS 93 OK 20 85 - 23 - 4735=3, 1.8/4744=2...(5) HB VAL 71 - HB3 LYS 93 lone 6 100 - 6 - 2.1/8520=1 HB2 MET 68 - HB3 LYS 93 lone 5 94 - 5 - HG2 ARG 124 - HB3 LYS 93 lone 4 85 - 4 - HB2 ARG 145 - HB3 LYS 93 lone 2 99 - 2 - Peak 3042 from aliabs.peaks (2.95, 1.89, 32.09 ppm; 3.77 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 93 + HB3 LYS 93 OK 99 100 - 99 - 5.1=40, ~3069=18...(90) HE2 LYS 48 + HB3 LYS 93 OK 93 100 - 93 - 3091/1.8=8, 3.0/3040=8...(94) HE2 LYS 85 + HB3 LYS 93 OK 92 100 - 92 - 3091/1.8=8, ~3102=7...(92) HE3 LYS 48 + HB3 LYS 93 OK 90 100 - 90 - 3.0/3040=8, 3091/1.8=8...(83) HE3 LYS 85 + HB3 LYS 93 OK 88 96 - 91 - 3102/1.8=8, 3.5/3038=6...(99) HE3 LYS 93 + HB3 LYS 93 OK 84 85 - 99 - 5.1=40, ~3069=18...(99) HB2 TYR 115 - HB3 LYS 93 lone 5 100 - 5 - 9366/10229=1 HB2 PHE 106 - HB3 LYS 93 lone 4 100 - 4 - HB3 ASN 130 - HB3 LYS 93 lone 3 68 - 4 - 4.0/10093=2 HB3 PHE 67 - HB3 LYS 93 lone 2 100 - 2 - HB2 TYR 119 - HB3 LYS 93 lone 1 72 - 2 - Peak 3043 from aliabs.peaks (2.94, 1.89, 32.09 ppm; 3.73 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 93 + HB3 LYS 93 OK 99 100 - 99 - 5.1=38, ~3069=18...(100) HE3 LYS 85 + HB3 LYS 93 OK 90 99 - 91 - 3102/1.8=10, 3103=6...(94) HE3 LYS 48 + HB3 LYS 93 OK 85 94 - 90 - 3102/1.8=8, 3.0/3040=8...(82) HE2 LYS 93 + HB3 LYS 93 OK 84 85 - 98 - 5.1=38, ~3069=18...(88) HE2 LYS 85 + HB3 LYS 93 OK 81 89 - 91 - 3102/1.8=7, ~3102=6...(90) HE2 LYS 48 + HB3 LYS 93 OK 75 81 - 92 - 3.0/3040=8, 3.0/3041=6...(90) HB3 ASN 130 - HB3 LYS 93 lone 5 99 - 5 - 4.0/10093=2 HB2 TYR 115 - HB3 LYS 93 lone 3 81 - 4 - HB2 PHE 106 - HB3 LYS 93 lone 2 77 - 3 - HB2 TYR 119 - HB3 LYS 93 lone 2 100 - 2 - HB3 PHE 67 - HB3 LYS 93 lone 1 77 - 1 - Peak 3046 from aliabs.peaks (4.22, 1.54, 24.58 ppm; 3.20 A): 2 out of 16 assignments used, quality = 0.97: * HA LYS 93 + HG2 LYS 93 OK 94 100 - 94 - 4.0=53, 3015/1.8=20...(38) HA LYS 85 + HG2 LYS 93 OK 49 92 - 54 - 2574=7, 3057/1.8=7...(22) HA LYS 93 - HG3 LYS 76 OK 42 80 - 53 - 3014=9, 10090/1.8=8...(22) HA LYS 85 - HG3 LYS 76 OK 31 68 - 45 - 2574=6, 2572/3.0=4...(23) HA THR 102 - HG2 LYS 93 OK 21 92 - 23 - 3023/2.9=3, 3035/2.9=3...(7) HA ILE 101 - HG2 LYS 93 OK 17 85 - 20 - 3035/2.9=3, 3057/1.8=3...(6) HB THR 102 - HG2 LYS 93 OK 17 85 - 20 - 3057/1.8=2, 3035/2.9=2...(6) HA ARG 141 - HG2 LYS 93 OK 15 62 - 23 - 3057/1.8=2, 3.0/3048=2...(8) HA ALA 134 - HG3 LYS 76 OK 13 62 - 20 - 9650/1.8=3, ~10321=2...(11) HA ALA 134 - HG2 LYS 93 OK 11 85 - 13 - ~9637=2, 3057/1.8=1...(7) HA PHE 45 - HG2 LYS 93 lone 7 98 - 7 - 3035/2.9=1, 3057/1.8=1 HA ILE 101 - HG3 LYS 76 lone 2 62 - 4 - HA THR 102 - HG3 LYS 76 lone 2 68 - 3 - HB THR 102 - HG3 LYS 76 lone 2 62 - 3 - HA PHE 45 - HG3 LYS 76 lone 2 76 - 2 - HA ARG 141 - HG3 LYS 76 lone 1 43 - 2 - Peak 3047 from aliabs.peaks (1.84, 1.54, 24.58 ppm; 2.99 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 93 + HG2 LYS 93 OK 100 100 - 100 - 2.9=100 HB2 LYS 93 + HG3 LYS 76 OK 49 80 - 61 - 3026=8, 1.8/3038=6...(27) HB3 GLU 28 - HG2 LYS 93 OK 16 62 - 25 - 3058/1.8=4, ~8054=3...(9) HB VAL 80 - HG2 LYS 93 poor 9 68 - 13 - 2.1/8753=3, 3058/1.8=2...(5) HB VAL 80 - HG3 LYS 76 poor 6 47 - 13 - 2.1/8753=3, ~9949=3...(5) HB3 GLU 28 - HG3 LYS 76 poor 6 43 - 14 - 4.3/6122=1, 1.8/11556=1...(4) Peak 3048 from aliabs.peaks (1.89, 1.54, 24.58 ppm; 2.92 A): 3 out of 22 assignments used, quality = 1.00: * HB3 LYS 93 + HG2 LYS 93 OK 100 100 - 100 - 2.9=100 HB3 LYS 24 + HG2 LYS 93 OK 51 94 - 54 - 3059/1.8=7, ~10906=6...(29) HB3 LYS 93 + HG3 LYS 76 OK 50 80 - 62 - 1.8/3047=9, 3038=8...(27) HB3 LYS 48 - HG2 LYS 93 OK 28 57 - 50 - 3.6/3051=4, 3059/1.8=3...(26) HB3 ARG 141 - HG2 LYS 93 OK 26 100 - 26 - 3059/1.8=3, 4791/3.0=2...(6) HB3 ARG 89 - HG2 LYS 93 OK 22 89 - 25 - 3059/1.8=3, 3025/2.9=2...(8) HB3 LEU 69 - HG3 LYS 76 OK 21 47 - 44 - ~2016=3, 3.2/2288=3...(34) HB3 ARG 140 - HG2 LYS 93 OK 20 100 - 20 - 3059/1.8=2, 3025/2.9=2...(6) HB ILE 101 - HG2 LYS 93 OK 15 72 - 20 - 3025/2.9=2, 3059/1.8=2...(5) HB2 LYS 36 - HG2 LYS 93 poor 8 57 - 15 - ~676=1, 3.0/3050=1, 3059/1.8=1 HB3 GLN 111 - HG2 LYS 93 lone 7 94 - 7 - HB3 LYS 48 - HG3 LYS 76 poor 5 39 - 14 - HB3 LEU 69 - HG2 LYS 93 lone 5 68 - 8 - HB3 ARG 89 - HG3 LYS 76 lone 3 65 - 5 - ~8947=2, ~8947=1 HB2 GLN 62 - HG2 LYS 93 lone 3 96 - 3 - HB3 LYS 24 - HG3 LYS 76 lone 3 71 - 4 - HB3 ARG 141 - HG3 LYS 76 lone 1 79 - 2 - HB3 ARG 140 - HG3 LYS 76 lone 1 80 - 1 - HB2 GLN 62 - HG3 LYS 76 lone 1 74 - 2 - HB ILE 101 - HG3 LYS 76 lone 1 51 - 2 - HB3 GLN 111 - HG3 LYS 76 lone 1 71 - 1 - HB2 LYS 36 - HG3 LYS 76 lone 1 39 - 1 - Peak 3049 from aliabs.peaks (1.54, 1.54, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 93 + HG2 LYS 93 OK 100 100 - 100 HG3 LYS 76 + HG3 LYS 76 OK 71 71 - 100 Peak 3050 from aliabs.peaks (1.41, 1.54, 24.58 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 93 + HG2 LYS 93 OK 100 100 - 100 - 1.8=100 HG3 LYS 93 - HG3 LYS 76 OK 41 80 - 51 - 3060=9, 2.9/3047=4...(17) HD2 LYS 114 - HG2 LYS 93 OK 27 85 - 32 - 3072/3.0=3, 3039/2.9=3...(15) HG LEU 116 - HG2 LYS 93 OK 15 81 - 18 - 3027/2.9=2, 3072/3.0=2...(8) HG2 LYS 36 - HG2 LYS 93 OK 11 77 - 15 - 3072/3.0=2, 3039/2.9=2 HD2 LYS 114 - HG3 LYS 76 OK 11 62 - 17 - 3795/3.9=2, 3795/3.9=2 HB2 ARG 35 - HG2 LYS 93 lone 6 89 - 7 - HG LEU 116 - HG3 LYS 76 lone 2 59 - 4 - ~10296=1 HG2 LYS 36 - HG3 LYS 76 lone 1 55 - 1 - HB2 ARG 35 - HG3 LYS 76 lone 1 65 - 1 - Peak 3051 from aliabs.peaks (1.71, 1.54, 24.58 ppm; 2.71 A): 1 out of 10 assignments used, quality = 0.97: * HD2 LYS 93 + HG2 LYS 93 OK 97 100 - 97 - 3.0=76, 3069/2.9=19...(52) HB2 LYS 85 - HG2 LYS 93 OK 40 77 - 52 - 3062/1.8=7, 3040/2.9=4...(25) HD2 LYS 93 - HG3 LYS 76 OK 40 80 - 50 - 3071=8, 3.0/3050=4...(18) HB3 LEU 95 - HG2 LYS 93 OK 37 99 - 38 - 3062/1.8=6, 3040/2.9=4...(11) HB2 LYS 85 - HG3 LYS 76 OK 25 55 - 45 - 3.0/2609=3, 1.8/2287=3...(21) HD2 LYS 86 - HG2 LYS 93 lone 10 96 - 10 - 3062/1.8=2, 3028/2.9=1 HD2 LYS 86 - HG3 LYS 76 lone 7 74 - 10 - 2730/3.0=2 HB3 LEU 95 - HG3 LYS 76 lone 4 77 - 6 - HB3 ARG 109 - HG2 LYS 93 lone 2 62 - 4 - HB3 ARG 109 - HG3 LYS 76 lone 0 43 - 1 - Peak 3052 from aliabs.peaks (1.66, 1.54, 24.58 ppm; 2.61 A): 3 out of 26 assignments used, quality = 0.99: * HD3 LYS 93 + HG2 LYS 93 OK 94 100 - 94 - 3.0=68, 1.8/3051=11...(42) HD2 LYS 48 + HG2 LYS 93 OK 69 100 - 69 - 3063/1.8=6, 3080/2.9=5...(33) HD3 LYS 48 + HG2 LYS 93 OK 61 92 - 67 - 3063/1.8=5, 3071=4...(31) HD3 LYS 93 - HG3 LYS 76 OK 38 80 - 47 - 1.8/3071=5, 3082=5...(15) HG13 ILE 136 - HG2 LYS 93 OK 30 100 - 30 - 2.1/9689=3, 1.8/10339=3...(12) HB2 LEU 95 - HG2 LYS 93 OK 30 100 - 30 - 1.8/3051=4, 3130/3.0=4...(12) HB2 LYS 114 - HG2 LYS 93 OK 19 68 - 28 - ~3760=3, 3748/1.8=2...(14) HG2 ARG 89 - HG2 LYS 93 OK 18 100 - 19 - 2877/2.9=2, 3063/1.8=2...(5) HB2 PRO 57 - HG2 LYS 93 OK 18 94 - 19 - 2.3/1533=2, 3063/1.8=2...(7) HG13 ILE 136 - HG3 LYS 76 OK 12 80 - 15 - 2.1/9689=3, 3082=1, ~10339=1 HG2 ARG 140 - HG2 LYS 93 OK 11 85 - 13 - 4735/2.9=1, 2.9/3048=1 HD2 LYS 48 - HG3 LYS 76 poor 9 80 - 11 - HD3 LYS 48 - HG3 LYS 76 lone 7 68 - 10 - HB VAL 71 - HG2 LYS 93 lone 5 100 - 5 - HB2 PRO 57 - HG3 LYS 76 lone 5 71 - 6 - HB2 LEU 95 - HG3 LYS 76 lone 4 80 - 5 - HB2 MET 68 - HG2 LYS 93 lone 3 94 - 4 - HB2 LYS 114 - HG3 LYS 76 lone 4 47 - 8 - ~8664=2, ~8664=1 HB VAL 71 - HG3 LYS 76 lone 3 80 - 4 - ~8518=2 HG2 ARG 124 - HG2 LYS 93 lone 3 85 - 3 - HG2 ARG 124 - HG3 LYS 76 lone 2 62 - 3 - HB2 MET 68 - HG3 LYS 76 lone 2 71 - 3 - HB2 ARG 145 - HG2 LYS 93 lone 2 99 - 2 - HG2 ARG 89 - HG3 LYS 76 lone 1 80 - 2 - HG2 ARG 140 - HG3 LYS 76 lone 1 62 - 1 - HB2 ARG 145 - HG3 LYS 76 lone 0 77 - 1 - Peak 3053 from aliabs.peaks (2.95, 1.54, 24.58 ppm; 3.50 A): 6 out of 22 assignments used, quality = 1.00: * HE2 LYS 93 + HG2 LYS 93 OK 99 100 - 99 - 3.8=79, 3.0/3051=13...(70) HE2 LYS 48 + HG2 LYS 93 OK 88 100 - 88 - 3.0/3051=7, 3064/1.8=6...(75) HE2 LYS 85 + HG2 LYS 93 OK 85 100 - 85 - 3064/1.8=6, 3091/2.9=5...(68) HE3 LYS 93 + HG2 LYS 93 OK 84 85 - 99 - 3.8=79, 3.0/3051=13...(77) HE3 LYS 48 + HG2 LYS 93 OK 84 100 - 85 - 3.0/3051=7, 3064/1.8=6...(67) HE3 LYS 85 + HG2 LYS 93 OK 81 96 - 84 - 3105/1.8=6, 3.5/2609=5...(74) HE2 LYS 85 - HG3 LYS 76 OK 41 80 - 51 - 3.5/2609=4, 4.8/2586=2...(24) HE3 LYS 85 - HG3 LYS 76 OK 37 74 - 50 - 3.5/2609=4, 4.8/2586=2...(25) HE2 LYS 93 - HG3 LYS 76 OK 31 80 - 39 - 3.0/3071=6, 3.8/3050=5...(14) HE3 LYS 93 - HG3 LYS 76 OK 24 62 - 38 - 3.0/3071=6, 3.8/3050=5...(13) HE2 LYS 48 - HG3 LYS 76 OK 12 80 - 15 - HE3 LYS 48 - HG3 LYS 76 OK 11 79 - 14 - HB2 TYR 115 - HG2 LYS 93 lone 3 100 - 3 - HB2 PHE 106 - HG2 LYS 93 lone 3 100 - 3 - HB3 PHE 67 - HG3 LYS 76 lone 3 80 - 3 - ~9869=2 HB2 TYR 115 - HG3 LYS 76 lone 2 80 - 2 - HB3 PHE 67 - HG2 LYS 93 lone 2 100 - 2 - HB2 TYR 119 - HG2 LYS 93 lone 1 72 - 2 - HB2 TYR 119 - HG3 LYS 76 lone 1 51 - 2 - HB2 PHE 106 - HG3 LYS 76 lone 1 80 - 1 - HB3 ASN 130 - HG2 LYS 93 lone 1 68 - 1 - HB3 ASN 130 - HG3 LYS 76 lone 0 47 - 1 - Peak 3054 from aliabs.peaks (2.94, 1.54, 24.58 ppm; 3.08 A): 6 out of 22 assignments used, quality = 1.00: * HE3 LYS 93 + HG2 LYS 93 OK 94 100 - 94 - 3.8=54, 3.0/3051=10...(70) HE2 LYS 93 + HG2 LYS 93 OK 80 85 - 94 - 3.8=54, 3.0/3051=10...(62) HE3 LYS 85 + HG2 LYS 93 OK 75 99 - 76 - 3105/1.8=6, 3104=5...(56) HE3 LYS 48 + HG2 LYS 93 OK 71 94 - 76 - 3.0/3051=5, 3065/1.8=5...(53) HE2 LYS 85 + HG2 LYS 93 OK 68 89 - 76 - 3065/1.8=5, 1.8/3104=5...(59) HE2 LYS 48 + HG2 LYS 93 OK 64 81 - 78 - 3.0/3051=5, 3065/1.8=5...(62) HE3 LYS 85 - HG3 LYS 76 OK 31 77 - 40 - 3.5/2609=3, 3104=2...(15) HE2 LYS 85 - HG3 LYS 76 OK 26 65 - 40 - 3.5/2609=3, 2.9/2631=2...(16) HE3 LYS 93 - HG3 LYS 76 OK 25 80 - 31 - 3.0/3071=5, 3.8/3050=4...(9) HE2 LYS 93 - HG3 LYS 76 OK 18 62 - 30 - 3.0/3071=5, 3.8/3050=4...(8) HE3 LYS 48 - HG3 LYS 76 poor 8 71 - 11 - HE2 LYS 48 - HG3 LYS 76 poor 6 59 - 10 - HB2 TYR 115 - HG2 LYS 93 lone 2 81 - 2 - HB2 PHE 106 - HG2 LYS 93 lone 2 77 - 2 - HB2 TYR 119 - HG2 LYS 93 lone 1 100 - 1 - HB2 TYR 119 - HG3 LYS 76 lone 1 79 - 2 - HB3 ASN 130 - HG2 LYS 93 lone 1 99 - 1 - HB3 PHE 67 - HG3 LYS 76 lone 1 55 - 2 - ~9869=1 HB3 PHE 67 - HG2 LYS 93 lone 1 77 - 1 - HB3 ASN 130 - HG3 LYS 76 lone 0 77 - 1 - HB2 TYR 115 - HG3 LYS 76 lone 0 59 - 1 - HB2 PHE 106 - HG3 LYS 76 lone 0 55 - 1 - Peak 3057 from aliabs.peaks (4.22, 1.41, 24.58 ppm; 3.23 A): 2 out of 8 assignments used, quality = 0.97: * HA LYS 93 + HG3 LYS 93 OK 94 100 - 94 - 4.0=54, 3012/2.9=18...(39) HA LYS 85 + HG3 LYS 93 OK 48 92 - 52 - 2.9/3062=6, 3023/2.9=6...(24) HA THR 102 - HG3 LYS 93 OK 20 92 - 22 - 3023/2.9=3, 3035/2.9=3...(7) HA ILE 101 - HG3 LYS 93 OK 17 85 - 20 - 3035/2.9=3, 3023/2.9=3...(6) HB THR 102 - HG3 LYS 93 OK 16 85 - 19 - 3035/2.9=2, 3023/2.9=2...(5) HA ARG 141 - HG3 LYS 93 OK 15 62 - 24 - 3.0/3059=2, 3035/2.9=2...(8) HA ALA 134 - HG3 LYS 93 poor 10 85 - 11 - ~9637=2, 3046/1.8=1...(6) HA PHE 45 - HG3 LYS 93 lone 7 98 - 7 - 3035/2.9=1, 3023/2.9=1 Peak 3058 from aliabs.peaks (1.84, 1.41, 24.58 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 93 + HG3 LYS 93 OK 100 100 - 100 - 2.9=100 HB3 GLU 28 - HG3 LYS 93 OK 14 62 - 22 - 3.0/8054=4, 3069/3.0=3...(9) HB VAL 80 - HG3 LYS 93 poor 7 68 - 11 - ~8753=2, 3047/1.8=2...(5) Peak 3059 from aliabs.peaks (1.89, 1.41, 24.58 ppm; 2.90 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 93 + HG3 LYS 93 OK 100 100 - 100 - 2.9=100 HB3 LYS 24 + HG3 LYS 93 OK 60 94 - 64 - 3.0/10906=14...(30) HB3 LYS 48 - HG3 LYS 93 OK 29 57 - 51 - 3.6/3063=4, 3.6/3062=4...(28) HB3 ARG 141 - HG3 LYS 93 OK 26 100 - 26 - 4791/3.0=2, 3025/2.9=2...(7) HB3 ARG 89 - HG3 LYS 93 OK 23 89 - 26 - 3025/2.9=2, 3070/3.0=2...(8) HB3 ARG 140 - HG3 LYS 93 OK 20 100 - 20 - 3025/2.9=2, 3048/1.8=2...(6) HB ILE 101 - HG3 LYS 93 OK 16 72 - 22 - 3025/2.9=2, 3048/1.8=2...(5) HB2 LYS 36 - HG3 LYS 93 OK 10 57 - 18 - 1.8/676=2, 3.0/698=1...(4) HB3 GLN 111 - HG3 LYS 93 lone 7 94 - 7 - HB3 LEU 69 - HG3 LYS 93 lone 6 68 - 8 - HB2 GLN 62 - HG3 LYS 93 lone 3 96 - 3 - Peak 3060 from aliabs.peaks (1.54, 1.41, 24.58 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HG3 LYS 93 OK 100 100 - 100 - 1.8=100 HG3 LYS 76 + HG3 LYS 93 OK 47 94 - 50 - 3050=10, 3047/2.9=4...(17) HD2 LYS 76 - HG3 LYS 93 OK 44 99 - 45 - 3.0/3050=4, 3071/3.0=3...(20) HG3 LYS 85 - HG3 LYS 93 OK 43 81 - 53 - 3.0/3062=4, 3071/3.0=3...(18) HB2 LEU 29 - HG3 LYS 93 lone 8 96 - 8 - QB ALA 135 - HG3 LYS 93 lone 6 100 - 6 - HB3 LEU 79 - HG3 LYS 93 lone 3 89 - 3 - HB2 GLU 122 - HG3 LYS 93 lone 2 81 - 2 - Peak 3061 from aliabs.peaks (1.41, 1.41, 24.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 93 + HG3 LYS 93 OK 100 100 - 100 Peak 3062 from aliabs.peaks (1.71, 1.41, 24.58 ppm; 2.80 A): 1 out of 5 assignments used, quality = 0.98: * HD2 LYS 93 + HG3 LYS 93 OK 98 100 - 98 - 3.0=84, 3069/2.9=20...(58) HB2 LYS 85 - HG3 LYS 93 OK 42 77 - 55 - 3051/1.8=5, 3040/2.9=5...(36) HB3 LEU 95 - HG3 LYS 93 OK 39 99 - 39 - 3051/1.8=5, 3040/2.9=4...(11) HD2 LYS 86 - HG3 LYS 93 lone 9 96 - 10 - 3051/1.8=1, 3028/2.9=1 HB3 ARG 109 - HG3 LYS 93 lone 3 62 - 4 - Peak 3063 from aliabs.peaks (1.66, 1.41, 24.58 ppm; 2.67 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 93 + HG3 LYS 93 OK 96 100 - 96 - 3.0=73, 1.8/3072=17...(43) HD2 LYS 48 + HG3 LYS 93 OK 72 100 - 72 - 3083=9, 3080/2.9=6...(36) HD3 LYS 48 + HG3 LYS 93 OK 64 92 - 70 - 3083=6, 1.8/3083=5...(34) HG13 ILE 136 - HG3 LYS 93 OK 32 100 - 32 - 3083=4, 3080/2.9=3...(13) HB2 LEU 95 - HG3 LYS 93 OK 31 100 - 31 - 1.8/3062=6, 3130/3.0=4...(12) HB2 LYS 114 - HG3 LYS 93 OK 21 68 - 31 - 1.8/3760=4, 2.9/3771=3...(13) HG2 ARG 89 - HG3 LYS 93 OK 19 100 - 19 - 2877/2.9=2, 2.8/3059=2...(5) HB2 PRO 57 - HG3 LYS 93 OK 18 94 - 20 - 3052/1.8=2, 3041/2.9=1...(7) HG2 ARG 140 - HG3 LYS 93 OK 12 85 - 14 - 2.9/3059=1, 4735/2.9=1 HB VAL 71 - HG3 LYS 93 lone 4 100 - 4 - HB2 MET 68 - HG3 LYS 93 lone 3 94 - 3 - HG2 ARG 124 - HG3 LYS 93 lone 3 85 - 3 - HB2 ARG 145 - HG3 LYS 93 lone 2 99 - 2 - Peak 3064 from aliabs.peaks (2.95, 1.41, 24.58 ppm; 3.48 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 93 + HG3 LYS 93 OK 99 100 - 99 - 3.8=77, 3.0/3072=18...(74) HE2 LYS 48 + HG3 LYS 93 OK 88 100 - 88 - 3094=7, 3.0/3063=7...(79) HE2 LYS 85 + HG3 LYS 93 OK 86 100 - 86 - 1.8/3105=7, 3094=7...(73) HE3 LYS 48 + HG3 LYS 93 OK 85 100 - 85 - 3094=7, 3.0/3063=7...(71) HE3 LYS 93 + HG3 LYS 93 OK 84 85 - 99 - 3.8=77, 3.0/3072=18...(82) HE3 LYS 85 + HG3 LYS 93 OK 81 96 - 85 - 3105=7, 1.8/3094=5...(79) HB2 TYR 115 - HG3 LYS 93 lone 6 100 - 6 - 4.5/9354=1 HB2 PHE 106 - HG3 LYS 93 lone 3 100 - 3 - HB3 PHE 67 - HG3 LYS 93 lone 2 100 - 2 - HB2 TYR 119 - HG3 LYS 93 lone 2 72 - 2 - HB3 ASN 130 - HG3 LYS 93 lone 1 68 - 2 - Peak 3065 from aliabs.peaks (2.94, 1.41, 24.58 ppm; 3.11 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 93 + HG3 LYS 93 OK 95 100 - 95 - 3.8=55, 3.0/3072=15...(76) HE2 LYS 93 + HG3 LYS 93 OK 80 85 - 94 - 3.8=55, 3.0/3072=15...(65) HE3 LYS 85 + HG3 LYS 93 OK 77 99 - 78 - 3105=8, 3102/2.9=5...(61) HE3 LYS 48 + HG3 LYS 93 OK 73 94 - 77 - 3105=6, 3.0/3063=5...(58) HE2 LYS 85 + HG3 LYS 93 OK 68 89 - 77 - 1.8/3105=6, 3105=5...(64) HE2 LYS 48 + HG3 LYS 93 OK 65 81 - 80 - 3.0/3063=5, 3.0/3062=5...(67) HB2 TYR 115 - HG3 LYS 93 lone 3 81 - 4 - 4.5/9354=1 HB3 ASN 130 - HG3 LYS 93 lone 2 99 - 2 - HB2 TYR 119 - HG3 LYS 93 lone 2 100 - 2 - HB2 PHE 106 - HG3 LYS 93 lone 2 77 - 2 - HB3 PHE 67 - HG3 LYS 93 lone 1 77 - 1 - Peak 3068 from aliabs.peaks (4.22, 1.71, 28.90 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 93 + HD2 LYS 93 OK 97 100 - 97 - 4.9=44, 3.0/3069=32...(48) HA LYS 85 + HD2 LYS 93 OK 63 92 - 69 - 3068=7, 3057/3.0=7...(38) HA THR 102 - HD2 LYS 93 OK 28 92 - 30 - 3035/3.4=3, 3023/3.4=3...(9) HA ARG 141 - HD2 LYS 93 OK 25 62 - 39 - 2.9/7844=4, 3.0/3070=4...(14) HA ILE 101 - HD2 LYS 93 OK 24 85 - 28 - 3035/3.4=3, 11215/1.8=3...(7) HB THR 102 - HD2 LYS 93 OK 23 85 - 27 - 3023/3.4=2, 3035/3.4=2...(12) HA ALA 134 - HD2 LYS 93 OK 15 85 - 18 - ~9637=4, ~10324=2...(8) HA PHE 45 - HD2 LYS 93 OK 12 98 - 12 - 11215/1.8=2, 3068=1...(6) Peak 3069 from aliabs.peaks (1.84, 1.71, 28.90 ppm; 2.63 A): 2 out of 3 assignments used, quality = 0.94: * HB2 LYS 93 + HD2 LYS 93 OK 93 100 - 93 - 3.4=44, 3080/1.8=16...(58) HB3 GLU 28 + HD2 LYS 93 OK 12 62 - 19 - 3069=3, ~8049=2...(8) HB VAL 80 - HD2 LYS 93 lone 6 68 - 8 - 3058/3.0=1 Peak 3070 from aliabs.peaks (1.89, 1.71, 28.90 ppm; 2.84 A): 2 out of 11 assignments used, quality = 0.99: * HB3 LYS 93 + HD2 LYS 93 OK 97 100 - 97 - 3.4=56, 1.8/3069=30...(69) HB3 LYS 24 + HD2 LYS 93 OK 55 94 - 59 - 3.7/10911=14...(33) HB3 LYS 48 - HD2 LYS 93 OK 40 57 - 70 - 2.9/1179=5, 2.9/1190=4...(38) HB3 ARG 141 - HD2 LYS 93 OK 33 100 - 33 - 4791=5, 1.8/4782=3...(9) HB3 ARG 89 - HD2 LYS 93 OK 27 89 - 31 - 3070=3, 2870/1.8=3...(12) HB3 ARG 140 - HD2 LYS 93 OK 24 100 - 24 - 3070=3, 3081/1.8=2...(6) HB ILE 101 - HD2 LYS 93 OK 15 72 - 20 - 3070=2, 3025/3.4=1...(6) HB2 LYS 36 - HD2 LYS 93 poor 8 57 - 14 - 3.0/3072=2 HB3 GLN 111 - HD2 LYS 93 lone 7 94 - 8 - HB3 LEU 69 - HD2 LYS 93 lone 6 68 - 8 - 3.2/9893=1 HB2 GLN 62 - HD2 LYS 93 lone 3 96 - 3 - Peak 3071 from aliabs.peaks (1.54, 1.71, 28.90 ppm; 2.83 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 93 + HD2 LYS 93 OK 99 100 - 99 - 3.0=87, 2.9/3069=21...(58) HG3 LYS 85 + HD2 LYS 93 OK 57 81 - 70 - 3071=7, 3082/1.8=5...(31) HD2 LYS 76 + HD2 LYS 93 OK 51 99 - 51 - 3071=6, 3060/3.0=4...(22) HG3 LYS 76 + HD2 LYS 93 OK 50 94 - 53 - 3051=8, 3050/3.0=5...(20) HB2 LEU 29 - HD2 LYS 93 poor 10 96 - 10 - 3071=1 QB ALA 135 - HD2 LYS 93 lone 8 100 - 8 - HB3 LEU 79 - HD2 LYS 93 lone 4 89 - 4 - HB2 GLU 122 - HD2 LYS 93 lone 2 81 - 3 - Peak 3072 from aliabs.peaks (1.41, 1.71, 28.90 ppm; 2.79 A): 1 out of 5 assignments used, quality = 0.98: * HG3 LYS 93 + HD2 LYS 93 OK 98 100 - 98 - 3.0=83, 2.9/3069=20...(57) HD2 LYS 114 - HD2 LYS 93 OK 35 85 - 42 - 3789/1.8=4, 3039/3.4=3...(22) HG LEU 116 - HD2 LYS 93 OK 19 81 - 23 - 3072=2, 3027/3.4=2...(9) HG2 LYS 36 - HD2 LYS 93 OK 17 77 - 21 - 3072=2, 3083/1.8=2...(6) HB2 ARG 35 - HD2 LYS 93 lone 8 89 - 9 - Peak 3073 from aliabs.peaks (1.71, 1.71, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 93 + HD2 LYS 93 OK 100 100 - 100 Peak 3074 from aliabs.peaks (1.66, 1.71, 28.90 ppm; 2.50 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 93 + HD2 LYS 93 OK 100 100 - 100 - 1.8=100 HD2 LYS 48 + HD2 LYS 93 OK 70 100 - 70 - 3084=9, 3.0/1179=4...(33) HD3 LYS 48 + HD2 LYS 93 OK 62 92 - 68 - 3084=6, 1.8/3084=5...(31) HB2 LEU 95 - HD2 LYS 93 OK 35 100 - 35 - 3130=4, 3.0/3122=3...(19) HG13 ILE 136 - HD2 LYS 93 OK 29 100 - 29 - 3074=3, 3080/3.4=2...(14) HG2 ARG 89 - HD2 LYS 93 OK 22 100 - 22 - 2.8/3070=2, 1.8/2886=1...(4) HB2 LYS 114 - HD2 LYS 93 OK 19 68 - 29 - 3.6/3072=3, 3074=2...(11) HB2 PRO 57 - HD2 LYS 93 OK 18 94 - 19 - 3074=2, ~1522=1...(5) HG2 ARG 140 - HD2 LYS 93 OK 12 85 - 14 - 2.9/3070=1, 3074=1 HB VAL 71 - HD2 LYS 93 lone 5 100 - 5 - HB2 MET 68 - HD2 LYS 93 lone 5 94 - 5 - HG2 ARG 124 - HD2 LYS 93 lone 3 85 - 3 - HB2 ARG 145 - HD2 LYS 93 lone 2 99 - 2 - Peak 3075 from aliabs.peaks (2.95, 1.71, 28.90 ppm; 2.79 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 93 + HD2 LYS 93 OK 97 100 - 97 - 3.0=83, 3.8/3072=9...(68) HE3 LYS 93 + HD2 LYS 93 OK 83 85 - 97 - 3.0=83, 3.8/3072=9...(72) HE2 LYS 48 + HD2 LYS 93 OK 72 100 - 72 - 3086/1.8=5, 3.0/3074=4...(51) HE2 LYS 85 + HD2 LYS 93 OK 70 100 - 70 - 3086/1.8=5, 3095=4...(45) HE3 LYS 48 + HD2 LYS 93 OK 68 100 - 69 - 3086/1.8=5, 3.0/3074=4...(41) HE3 LYS 85 + HD2 LYS 93 OK 66 96 - 69 - 3086/1.8=5, 3106=4...(46) HB2 PHE 106 - HD2 LYS 93 lone 5 100 - 5 - HB2 TYR 115 - HD2 LYS 93 lone 4 100 - 4 - HB3 PHE 67 - HD2 LYS 93 lone 2 100 - 2 - HB3 ASN 130 - HD2 LYS 93 lone 2 68 - 2 - HB2 TYR 119 - HD2 LYS 93 lone 1 72 - 1 - Peak 3076 from aliabs.peaks (2.94, 1.71, 28.90 ppm; 2.79 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 93 + HD2 LYS 93 OK 97 100 - 97 - 3.0=83, 3.8/3072=9...(72) HE2 LYS 93 + HD2 LYS 93 OK 83 85 - 97 - 3.0=83, 3.8/3072=9...(68) HE3 LYS 85 + HD2 LYS 93 OK 69 99 - 70 - 3106=5, 3087/1.8=5...(46) HE3 LYS 48 + HD2 LYS 93 OK 65 94 - 69 - 3087/1.8=5, 3.0/3074=4...(41) HE2 LYS 85 + HD2 LYS 93 OK 62 89 - 70 - 3087/1.8=4, 3076=4...(45) HE2 LYS 48 + HD2 LYS 93 OK 58 81 - 71 - 3.0/3074=4, 3086/1.8=4...(50) HB2 PHE 106 - HD2 LYS 93 lone 3 77 - 4 - HB3 ASN 130 - HD2 LYS 93 lone 3 99 - 3 - HB2 TYR 115 - HD2 LYS 93 lone 3 81 - 3 - HB3 PHE 67 - HD2 LYS 93 lone 2 77 - 2 - HB2 TYR 119 - HD2 LYS 93 lone 1 100 - 1 - Peak 3079 from aliabs.peaks (4.22, 1.66, 28.90 ppm; 3.71 A): 4 out of 32 assignments used, quality = 1.00: * HA LYS 93 + HD3 LYS 93 OK 97 100 - 97 - 4.9=44, 3015/3.0=20...(46) HA LYS 93 + HD2 LYS 48 OK 80 100 - 80 - 3.0/3080=10, 3017=9...(49) HA LYS 85 + HD3 LYS 93 OK 60 92 - 65 - 3068/1.8=8, 3057/3.0=7...(33) HA LYS 93 + HD3 LYS 48 OK 57 73 - 78 - 3017=8, 3017/1.8=7...(48) HA LYS 85 - HD2 LYS 48 OK 42 91 - 46 - 1148/3.6=4, 1160/3.6=4...(18) HA ILE 101 - HG13 ILE 136 OK 32 66 - 48 - 11215=6, 3.2/4630=4...(24) HA LYS 93 - HG13 ILE 136 OK 30 85 - 36 - 2.9/3078=6, 3017=5...(11) HA PHE 45 - HD2 LYS 48 OK 29 98 - 30 - 1019/6.0=7, 1020/3.6=6...(7) HA LYS 85 - HD3 LYS 48 OK 28 62 - 45 - 1148/3.6=4, 1160/3.6=4...(18) HA THR 102 - HD3 LYS 93 OK 25 92 - 27 - 3068/1.8=4, 3035/3.4=3...(8) HA ILE 101 - HD3 LYS 93 OK 24 85 - 29 - 11215=4, 3035/3.4=3...(8) HA ARG 141 - HD2 LYS 48 OK 23 62 - 37 - 8186/3.0=4, 10502/5.3=3...(18) HA ARG 141 - HD3 LYS 93 OK 22 62 - 36 - 3068/1.8=3, 2.9/7836=3...(16) HB THR 102 - HD3 LYS 93 OK 21 85 - 25 - 3068/1.8=3, 3023/3.4=2...(10) HA PHE 45 - HD3 LYS 48 OK 20 69 - 30 - 1019/6.0=7, 1020/3.6=6...(7) HA ALA 134 - HD3 LYS 93 OK 17 85 - 20 - 2.1/9637=6, ~10324=2...(7) HA ALA 134 - HG13 ILE 136 OK 17 66 - 26 - 7742/4.5=5, 2.1/9637=5...(8) HA ILE 101 - HD2 LYS 48 OK 14 85 - 16 - 1020/3.6=2, 1021/3.6=2...(7) HA ALA 134 - HD2 LYS 48 OK 13 85 - 15 - 2.1/9637=5, ~9637=3...(4) HA PHE 45 - HD3 LYS 93 OK 12 98 - 12 - 11215=2, 3068/1.8=2...(5) HA ARG 141 - HD3 LYS 48 OK 12 39 - 31 - 8186/3.0=4, 10502/5.3=3...(11) HA THR 102 - HG13 ILE 136 OK 11 73 - 15 - 9189/2.3=2, ~7201=1...(6) HA ILE 101 - HD3 LYS 48 poor 9 56 - 16 - 1020/3.6=2, 1021/3.6=2...(7) HA ALA 134 - HD3 LYS 48 poor 8 56 - 15 - 2.1/9637=4, ~9637=3...(4) HB THR 102 - HG13 ILE 136 poor 8 66 - 12 - ~9191=2, 9190/2.3=1...(7) HA THR 102 - HD2 LYS 48 lone 7 91 - 7 - HB THR 102 - HD2 LYS 48 lone 5 85 - 6 - HA PHE 45 - HG13 ILE 136 lone 4 80 - 6 - 4.9/10461=1 HA THR 102 - HD3 LYS 48 lone 4 62 - 7 - HA LYS 85 - HG13 ILE 136 lone 4 73 - 5 - HB THR 102 - HD3 LYS 48 lone 3 56 - 6 - HA ARG 141 - HG13 ILE 136 lone 3 46 - 7 - 2.9/7836=3 Peak 3080 from aliabs.peaks (1.84, 1.66, 28.90 ppm; 2.72 A): 3 out of 12 assignments used, quality = 0.99: * HB2 LYS 93 + HD3 LYS 93 OK 95 100 - 95 - 3.4=49, 3069/1.8=28...(57) HB2 LYS 93 + HD2 LYS 48 OK 74 100 - 74 - 3028/1.8=6, 3029=6...(35) HB2 LYS 93 + HD3 LYS 48 OK 53 73 - 73 - 3029=5, 3028/1.8=5...(38) HB2 LYS 93 - HG13 ILE 136 OK 25 85 - 30 - 3029=4, 1.8/3041=3...(12) HB3 GLU 28 - HD3 LYS 93 OK 13 62 - 20 - 3069/1.8=4, ~8049=3...(7) HB VAL 80 - HD3 LYS 93 lone 6 68 - 9 - 3069/1.8=2, 3058/3.0=1 HB VAL 80 - HG13 ILE 136 poor 6 50 - 12 - ~4638=1 HB3 GLU 28 - HD2 LYS 48 lone 3 62 - 5 - HB3 GLU 28 - HD3 LYS 48 lone 2 39 - 5 - HB VAL 80 - HD2 LYS 48 lone 1 67 - 2 - HB VAL 80 - HD3 LYS 48 lone 1 42 - 1 - HB3 GLU 28 - HG13 ILE 136 lone 0 46 - 1 - Peak 3081 from aliabs.peaks (1.89, 1.66, 28.90 ppm; 2.69 A): 4 out of 44 assignments used, quality = 1.00: * HB3 LYS 93 + HD3 LYS 93 OK 95 100 - 95 - 3.4=47, 1.8/3080=16...(57) HB3 LYS 93 + HD2 LYS 48 OK 74 100 - 74 - 1.8/3080=8, 3041=7...(38) HB3 LYS 93 + HD3 LYS 48 OK 53 73 - 72 - 1.8/3080=6, 3041=6...(40) HB3 LYS 48 + HD2 LYS 48 OK 52 57 - 91 - 3.6=42, 2.9/1198=9...(64) HB3 LYS 24 - HD3 LYS 93 OK 43 94 - 46 - 3070/1.8=5, 10887/3.0=5...(22) HB3 ARG 140 - HG13 ILE 136 OK 42 84 - 50 - 4727=4, 2.9/4745=3...(25) HB3 LYS 48 - HD3 LYS 93 OK 33 57 - 58 - 2.9/1189=5, 2.9/1178=5...(26) HB3 LYS 48 - HD3 LYS 48 OK 32 35 - 91 - 3.6=42, 2.9/1198=7...(63) HB3 ARG 141 - HD2 LYS 48 OK 27 99 - 27 - 4791/1.8=3, 4790/3.0=2...(8) HB3 LYS 93 - HG13 ILE 136 OK 26 85 - 31 - 3041=4, 1.8/3080=4...(12) HB3 ARG 89 - HD3 LYS 93 OK 25 89 - 29 - 2870=3, 1.8/2862=3...(12) HB3 ARG 141 - HD3 LYS 93 OK 25 100 - 25 - 4791/1.8=3, 3059/3.0=2...(9) HB3 ARG 140 - HD3 LYS 93 OK 21 100 - 21 - 3070/1.8=2, 4727=2...(8) HB3 ARG 89 - HG13 ILE 136 OK 20 70 - 29 - 1.8/2862=3, 2870=3...(11) HB3 GLN 111 - HG13 ILE 136 OK 17 75 - 23 - 3.0/11485=3, ~10341=3...(9) HB ILE 101 - HG13 ILE 136 OK 17 55 - 31 - 2.1/4630=3, ~4622=3...(11) HB3 ARG 141 - HD3 LYS 48 OK 15 72 - 21 - 4790/3.0=2, 4791=1...(4) HB ILE 101 - HD3 LYS 93 OK 11 72 - 16 - 3070/1.8=1, 3.0/11215=1...(4) HB3 LYS 24 - HD2 LYS 48 OK 11 94 - 12 - ~11320=1, ~10883=1 HB2 LYS 36 - HD2 LYS 48 OK 11 57 - 19 - 3.0/1199=2, 1175/3.0=2...(7) HB3 LEU 69 - HG13 ILE 136 poor 9 50 - 18 - 3.2/9934=2, ~9688=2...(6) HB3 ARG 89 - HD2 LYS 48 lone 8 88 - 9 - HB2 LYS 36 - HD3 LYS 93 poor 7 57 - 13 - 3.0/3083=1 HB3 LYS 24 - HD3 LYS 48 poor 7 65 - 11 - ~11320=1, ~10883=1 HB2 LYS 36 - HD3 LYS 48 poor 6 35 - 18 - 1175/3.0=2, ~677=2...(6) HB3 GLN 111 - HD3 LYS 93 lone 6 94 - 6 - HB3 ARG 89 - HD3 LYS 48 lone 5 59 - 9 - HB3 ARG 140 - HD2 LYS 48 lone 5 100 - 5 - HB3 ARG 141 - HG13 ILE 136 lone 4 83 - 5 - HB3 LEU 69 - HD3 LYS 93 lone 4 68 - 6 - 3.2/9934=1 HB ILE 101 - HD2 LYS 48 lone 3 72 - 5 - HB3 LYS 24 - HG13 ILE 136 lone 3 75 - 4 - HB3 ARG 140 - HD3 LYS 48 lone 3 73 - 4 - HB3 LEU 69 - HD2 LYS 48 lone 3 67 - 4 - HB2 GLN 62 - HD3 LYS 93 lone 3 96 - 3 - HB ILE 101 - HD3 LYS 48 lone 2 46 - 5 - HB2 GLN 62 - HG13 ILE 136 lone 2 78 - 3 - HB3 GLN 111 - HD2 LYS 48 lone 2 94 - 2 - HB3 LEU 69 - HD3 LYS 48 lone 2 42 - 4 - HB3 LYS 48 - HG13 ILE 136 lone 2 42 - 4 - HB3 GLN 111 - HD3 LYS 48 lone 1 65 - 2 - HB2 GLN 62 - HD2 LYS 48 lone 1 96 - 1 - HB2 LYS 36 - HG13 ILE 136 lone 1 42 - 2 - HB2 GLN 62 - HD3 LYS 48 lone 0 67 - 1 - Peak 3082 from aliabs.peaks (1.54, 1.66, 28.90 ppm; 2.89 A): 6 out of 32 assignments used, quality = 1.00: * HG2 LYS 93 + HD3 LYS 93 OK 99 100 - 99 - 3.0=92, 3051/1.8=13...(58) HG2 LYS 93 + HD2 LYS 48 OK 78 100 - 78 - 3052=8, 3051/1.8=7...(46) HG3 LYS 85 + HD3 LYS 93 OK 57 81 - 70 - 3071/1.8=7, 3060/3.0=4...(34) HG2 LYS 93 + HD3 LYS 48 OK 56 73 - 76 - 3052=7, 1.8/3063=6...(47) HG3 LYS 76 + HD3 LYS 93 OK 51 94 - 55 - 3071/1.8=6, 3052=5...(19) HD2 LYS 76 + HD3 LYS 93 OK 51 99 - 52 - 3071/1.8=6, 3060/3.0=5...(23) QB ALA 135 - HG13 ILE 136 OK 41 84 - 49 - 10964/1.8=18...(11) HG3 LYS 85 - HD2 LYS 48 OK 35 81 - 44 - 2618/3.6=2, 2623/3.0=2...(16) HG2 LYS 93 - HG13 ILE 136 OK 31 85 - 37 - 9689/2.1=4, 3052=4...(12) HG3 LYS 85 - HD3 LYS 48 OK 23 53 - 43 - 2618/3.6=2, 2623/3.0=2...(13) HD2 LYS 76 - HG13 ILE 136 OK 17 82 - 21 - 9689/2.1=3, 10339/1.8=2...(8) HG3 LYS 76 - HG13 ILE 136 OK 14 75 - 18 - 9689/2.1=3, 3052=2...(8) QB ALA 135 - HD3 LYS 93 OK 13 100 - 13 - 4.0/9637=2, 3.7/7750=1 HG3 LYS 76 - HD2 LYS 48 OK 13 94 - 14 - 3052=1 HB2 LEU 29 - HD3 LYS 93 OK 11 96 - 11 - 3.1/10843=1, 3.2/10842=1 HD2 LYS 76 - HD2 LYS 48 poor 10 99 - 10 - 2297/3.0=1 HB2 LEU 29 - HG13 ILE 136 poor 9 78 - 11 - ~9672=2, 3.1/10843=2...(5) HG3 LYS 76 - HD3 LYS 48 poor 8 65 - 12 - HD2 LYS 76 - HD3 LYS 48 lone 7 70 - 9 - 2297/3.0=1 QB ALA 135 - HD2 LYS 48 lone 4 100 - 4 - 4.0/9637=2 HB2 GLU 122 - HG13 ILE 136 lone 4 62 - 7 - 9689/2.1=1 HB3 LEU 79 - HD3 LYS 93 lone 4 89 - 4 - HG3 LYS 85 - HG13 ILE 136 lone 4 62 - 6 - HB2 LEU 29 - HD2 LYS 48 lone 3 96 - 3 - HB2 GLU 122 - HD3 LYS 93 lone 3 81 - 3 - QB ALA 135 - HD3 LYS 48 lone 3 73 - 4 - 4.0/9637=1 HB3 LEU 79 - HD2 LYS 48 lone 2 88 - 2 - HB2 LEU 29 - HD3 LYS 48 lone 2 67 - 3 - HB3 LEU 79 - HG13 ILE 136 lone 1 70 - 2 - HB3 LEU 79 - HD3 LYS 48 lone 1 59 - 2 - HB2 GLU 122 - HD2 LYS 48 lone 1 81 - 1 - HB2 GLU 122 - HD3 LYS 48 lone 0 53 - 1 - Peak 3083 from aliabs.peaks (1.41, 1.66, 28.90 ppm; 2.65 A): 3 out of 20 assignments used, quality = 0.99: * HG3 LYS 93 + HD3 LYS 93 OK 95 100 - 95 - 3.0=71, 3072/1.8=16...(40) HG3 LYS 93 + HD2 LYS 48 OK 71 100 - 72 - 3063=9, 3062/1.8=6...(34) HG3 LYS 93 + HD3 LYS 48 OK 51 73 - 70 - 3063=8, 3063/1.8=6...(31) HD2 LYS 114 - HD3 LYS 93 OK 35 85 - 41 - 3072/1.8=6, 3789=4...(16) HG3 LYS 93 - HG13 ILE 136 OK 27 85 - 32 - 3063=4, 2.9/3080=3...(13) HG LEU 116 - HG13 ILE 136 OK 25 62 - 39 - 3883/1.8=5, ~10227=5...(15) HG2 LYS 36 - HD2 LYS 48 OK 23 77 - 31 - 1.8/1199=3, 688/3.0=2...(6) HG LEU 116 - HD3 LYS 93 OK 17 81 - 21 - 3072/1.8=3, 3027/3.4=2...(7) HG2 LYS 36 - HD3 LYS 48 OK 15 49 - 30 - 688/3.0=2, 1.8/1199=2...(7) HG2 LYS 36 - HD3 LYS 93 OK 14 77 - 18 - 3072/1.8=3, 3039/3.4=1...(4) HD2 LYS 114 - HD2 LYS 48 OK 12 85 - 15 - 3790/3.0=2, 3.6/1198=1 HD2 LYS 114 - HD3 LYS 48 poor 9 56 - 16 - 3790/3.0=2, 3789/1.8=1 HB2 ARG 35 - HD3 LYS 93 lone 7 89 - 8 - 3072/1.8=1 HD2 LYS 114 - HG13 ILE 136 poor 7 66 - 10 - 1.8/3800=2, 3789=1 HG LEU 116 - HD2 LYS 48 lone 5 81 - 6 - HG LEU 116 - HD3 LYS 48 lone 3 53 - 5 - HB2 ARG 35 - HD2 LYS 48 lone 1 88 - 2 - HB2 ARG 35 - HG13 ILE 136 lone 1 70 - 2 - HG2 LYS 36 - HG13 ILE 136 lone 1 59 - 2 - HB2 ARG 35 - HD3 LYS 48 lone 1 59 - 1 - Peak 3084 from aliabs.peaks (1.71, 1.66, 28.90 ppm; 2.50 A): 3 out of 20 assignments used, quality = 1.00: * HD2 LYS 93 + HD3 LYS 93 OK 100 100 - 100 - 1.8=100 HD2 LYS 93 + HD2 LYS 48 OK 70 100 - 71 - 3074=9, 3074/1.8=5...(33) HD2 LYS 93 + HD3 LYS 48 OK 50 73 - 68 - 3074=8, 3074/1.8=6...(31) HB2 LYS 85 - HD3 LYS 93 OK 40 77 - 52 - 3062/3.0=4, 3040/3.4=3...(19) HB3 LEU 95 - HD3 LYS 93 OK 38 99 - 39 - 3062/3.0=3, 3040/3.4=3...(17) HD2 LYS 93 - HG13 ILE 136 OK 25 85 - 29 - 3074=4, 3.4/3080=2...(14) HB2 LYS 85 - HD2 LYS 48 OK 24 77 - 31 - 1.8/1196=2, 2650/3.0=1...(4) HB2 LYS 85 - HD3 LYS 48 OK 15 49 - 30 - 2650/3.0=1, 2650/3.0=1...(4) HB3 LEU 95 - HD2 LYS 48 lone 9 99 - 9 - HD2 LYS 86 - HD3 LYS 93 lone 9 96 - 9 - HB3 LEU 95 - HG13 ILE 136 poor 9 82 - 11 - HB3 LEU 95 - HD3 LYS 48 lone 6 70 - 9 - HD2 LYS 86 - HG13 ILE 136 lone 6 78 - 8 - ~9672=2 HB3 ARG 109 - HG13 ILE 136 lone 2 46 - 5 - HB3 ARG 109 - HD3 LYS 93 lone 2 62 - 3 - HB2 LYS 85 - HG13 ILE 136 lone 2 59 - 3 - HD2 LYS 86 - HD2 LYS 48 lone 1 96 - 1 - HD2 LYS 86 - HD3 LYS 48 lone 1 67 - 1 - HB3 ARG 109 - HD2 LYS 48 lone 1 62 - 1 - HB3 ARG 109 - HD3 LYS 48 lone 0 39 - 1 - Peak 3085 from aliabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 93 + HD3 LYS 93 OK 100 100 - 100 HD2 LYS 48 + HD2 LYS 48 OK 100 100 - 100 HG13 ILE 136 + HG13 ILE 136 OK 84 84 - 100 HD3 LYS 48 + HD3 LYS 48 OK 62 62 - 100 Peak 3086 from aliabs.peaks (2.95, 1.66, 28.90 ppm; 2.52 A): 11 out of 44 assignments used, quality = 1.00: * HE2 LYS 93 + HD3 LYS 93 OK 87 100 - 87 - 3.0=61, 1.8/3107=6...(41) HE2 LYS 48 + HD2 LYS 48 OK 81 100 - 81 - 3.0=61, 3.6/1198=6...(42) HE3 LYS 48 + HD2 LYS 48 OK 80 99 - 80 - 3.0=61, 3.6/1198=6...(38) HE3 LYS 93 + HD3 LYS 93 OK 74 85 - 87 - 3.0=61, 3075/1.8=5...(41) HE2 LYS 48 + HD3 LYS 93 OK 61 100 - 61 - 3096=5, 3075/1.8=4...(23) HE2 LYS 85 + HD3 LYS 93 OK 60 100 - 60 - 3096=5, 3075/1.8=4...(20) HE2 LYS 48 + HD3 LYS 48 OK 59 73 - 80 - 3.0=61, 3.6/1198=5...(42) HE3 LYS 48 + HD3 LYS 48 OK 57 72 - 80 - 3.0=61, 3.6/1198=5...(38) HE3 LYS 48 + HD3 LYS 93 OK 57 100 - 58 - 3096=5, 3075/1.8=4...(22) HE3 LYS 85 + HD3 LYS 93 OK 56 96 - 58 - 3107=5, 3075/1.8=4...(18) HE2 LYS 93 + HD2 LYS 48 OK 46 100 - 46 - 3.0/3074=4, 1222=2...(17) HE3 LYS 93 - HD2 LYS 48 OK 40 85 - 48 - 3.0/3074=4, 3107=2...(20) HE2 LYS 93 - HD3 LYS 48 OK 33 73 - 45 - 3.0/3074=3, 1191/3.0=2...(15) HE2 LYS 85 - HD2 LYS 48 OK 33 100 - 33 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD2 LYS 48 OK 31 96 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 93 - HD3 LYS 48 OK 26 56 - 47 - 3.0/3074=3, 3107=2...(18) HE2 LYS 85 - HD3 LYS 48 OK 24 73 - 32 - 1191/3.0=2, 1180/3.0=2...(5) HE3 LYS 85 - HD3 LYS 48 OK 21 67 - 32 - 1191/3.0=2, 1180/3.0=2...(4) HE2 LYS 93 - HG13 ILE 136 OK 13 85 - 16 - 3.0/3074=1, 3096=1...(6) HB2 PHE 106 - HD2 LYS 48 OK 12 100 - 12 - 3.0/1195=1 HE3 LYS 93 - HG13 ILE 136 OK 10 66 - 16 - 3.0/3074=1, 3107=1...(5) HB2 PHE 106 - HD3 LYS 48 poor 8 73 - 11 - HB2 TYR 115 - HD2 LYS 48 lone 6 100 - 6 - HB2 TYR 115 - HG13 ILE 136 lone 5 84 - 6 - ~4728=1, 9366/1.8=1, ~10217=1 HE2 LYS 48 - HG13 ILE 136 lone 5 84 - 5 - HE3 LYS 48 - HG13 ILE 136 lone 4 83 - 5 - HB2 TYR 115 - HD3 LYS 93 lone 4 100 - 4 - 4.0/7420=1 HB2 TYR 115 - HD3 LYS 48 lone 4 73 - 5 - HB2 PHE 106 - HD3 LYS 93 lone 4 100 - 4 - HB3 PHE 67 - HG13 ILE 136 lone 3 84 - 4 - ~9665=1 HB3 PHE 67 - HD2 LYS 48 lone 2 100 - 2 - HE2 LYS 85 - HG13 ILE 136 lone 2 84 - 2 - HE3 LYS 85 - HG13 ILE 136 lone 2 78 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 2 100 - 2 - HB3 PHE 67 - HD3 LYS 48 lone 2 73 - 2 - HB2 TYR 119 - HG13 ILE 136 lone 2 55 - 3 - ~9669=1 HB3 ASN 130 - HD3 LYS 93 lone 1 68 - 2 - HB2 TYR 119 - HD3 LYS 93 lone 1 72 - 1 - HB2 PHE 106 - HG13 ILE 136 lone 0 84 - 1 - HB3 ASN 130 - HD2 LYS 48 lone 0 67 - 1 - HB2 TYR 119 - HD2 LYS 48 lone 0 72 - 0 - HB3 ASN 130 - HD3 LYS 48 lone 0 42 - 1 - HB2 TYR 119 - HD3 LYS 48 lone 0 46 - 0 - HB3 ASN 130 - HG13 ILE 136 lone 0 50 - 0 - Peak 3087 from aliabs.peaks (2.94, 1.66, 28.90 ppm; 2.50 A): 10 out of 44 assignments used, quality = 1.00: * HE3 LYS 93 + HD3 LYS 93 OK 86 100 - 86 - 3.0=60, 3076/1.8=6...(36) HE3 LYS 48 + HD2 LYS 48 OK 74 94 - 79 - 3.0=60, 3.6/1198=6...(36) HE2 LYS 93 + HD3 LYS 93 OK 73 85 - 86 - 3.0=60, 1.8/3107=6...(38) HE2 LYS 48 + HD2 LYS 48 OK 64 81 - 79 - 3.0=60, 3.6/1198=6...(38) HE3 LYS 85 + HD3 LYS 93 OK 58 99 - 59 - 3107=6, 3076/1.8=4...(17) HE3 LYS 48 + HD3 LYS 93 OK 54 94 - 57 - 3107=5, 3076/1.8=4...(20) HE2 LYS 85 + HD3 LYS 93 OK 52 89 - 58 - 3107=4, 1.8/3107=4...(20) HE3 LYS 48 + HD3 LYS 48 OK 51 65 - 79 - 3.0=60, 3.6/1198=5...(35) HE2 LYS 48 + HD3 LYS 93 OK 48 81 - 59 - 3096=4, 3076/1.8=3...(23) HE3 LYS 93 + HD2 LYS 48 OK 47 100 - 47 - 3.0/3074=4, 3107=3...(20) HE2 LYS 48 - HD3 LYS 48 OK 42 53 - 79 - 3.0=60, 3.6/1198=5...(38) HE2 LYS 93 - HD2 LYS 48 OK 37 85 - 44 - 3.0/3074=4, 3.8/3063=2...(16) HE3 LYS 93 - HD3 LYS 48 OK 34 73 - 46 - 3.0/3074=3, 3107=3...(18) HE3 LYS 85 - HD2 LYS 48 OK 31 99 - 32 - 3107=2, 3106/1.8=1...(5) HE2 LYS 85 - HD2 LYS 48 OK 27 88 - 31 - 1181/3.0=1, 3107=1...(4) HE2 LYS 93 - HD3 LYS 48 OK 24 56 - 43 - 3.0/3074=3, 3.8/3063=2...(14) HE3 LYS 85 - HD3 LYS 48 OK 22 70 - 31 - 3107=2, 1181/3.0=1...(4) HE2 LYS 85 - HD3 LYS 48 OK 18 59 - 30 - 1181/3.0=1, 1192/3.0=1...(4) HE3 LYS 93 - HG13 ILE 136 OK 13 85 - 16 - 3107=2, 3.0/3074=1...(4) HE2 LYS 93 - HG13 ILE 136 poor 10 66 - 15 - 3.0/3074=1, 1.8/3107=1...(4) HB2 PHE 106 - HD2 LYS 48 poor 8 77 - 11 - 3.0/1195=1 HB2 PHE 106 - HD3 LYS 48 poor 5 49 - 11 - HB2 TYR 115 - HD2 LYS 48 lone 4 81 - 5 - HE3 LYS 48 - HG13 ILE 136 lone 4 75 - 5 - HB2 TYR 115 - HG13 ILE 136 lone 3 62 - 5 - ~4728=1, ~10217=1, 9366/1.8=1 HB2 TYR 115 - HD3 LYS 93 lone 3 81 - 4 - HE2 LYS 48 - HG13 ILE 136 lone 3 62 - 5 - HB2 TYR 115 - HD3 LYS 48 lone 3 53 - 5 - HB2 PHE 106 - HD3 LYS 93 lone 2 77 - 3 - HB2 TYR 119 - HG13 ILE 136 lone 2 83 - 3 - ~9669=1 HB3 PHE 67 - HG13 ILE 136 lone 2 59 - 4 - ~9665=1 HE3 LYS 85 - HG13 ILE 136 lone 2 82 - 2 - HB3 ASN 130 - HD3 LYS 93 lone 2 99 - 2 - HB3 PHE 67 - HD2 LYS 48 lone 2 77 - 2 - HE2 LYS 85 - HG13 ILE 136 lone 2 70 - 2 - HB3 PHE 67 - HD3 LYS 93 lone 1 77 - 2 - HB2 TYR 119 - HD3 LYS 93 lone 1 100 - 1 - HB3 PHE 67 - HD3 LYS 48 lone 1 49 - 2 - HB3 ASN 130 - HD2 LYS 48 lone 1 99 - 1 - HB2 TYR 119 - HD2 LYS 48 lone 0 99 - 0 - HB3 ASN 130 - HD3 LYS 48 lone 0 70 - 1 - HB3 ASN 130 - HG13 ILE 136 lone 0 82 - 0 - HB2 PHE 106 - HG13 ILE 136 lone 0 59 - 0 - HB2 TYR 119 - HD3 LYS 48 lone 0 72 - 0 - Peak 3090 from aliabs.peaks (4.22, 2.95, 41.80 ppm; 3.62 A): 8 out of 40 assignments used, quality = 1.00: * HA LYS 93 + HE2 LYS 93 OK 89 100 - 89 - 5.9=23, 3015/3.8=15...(41) HA LYS 85 + HE2 LYS 85 OK 81 91 - 89 - 5.8=24, 2573/3.5=21...(49) HA LYS 93 + HE2 LYS 48 OK 74 100 - 74 - 3016/3.0=6, 3018=6...(44) HA LYS 93 + HE3 LYS 48 OK 69 98 - 71 - 3016/3.0=6, 3018=6...(40) HA LYS 93 + HE2 LYS 85 OK 69 100 - 69 - 2605/3.5=7, 2616/3.5=7...(35) HA LYS 85 + HE3 LYS 85 OK 66 75 - 89 - 5.8=24, 2573/3.5=21...(50) HA LYS 93 + HE3 LYS 85 OK 58 87 - 67 - 2605/3.5=7, 2616/3.5=7...(35) HA LYS 85 + HE2 LYS 93 OK 51 92 - 56 - 3068/3.0=6, 3057/3.8=5...(24) HA LYS 85 - HE2 LYS 48 OK 44 91 - 49 - 2577=3, 2.9/2650=3...(18) HA LYS 85 - HE3 LYS 48 OK 42 88 - 48 - 2577=3, 2.9/2650=3...(18) HA PHE 45 - HE2 LYS 48 OK 20 98 - 20 - 1019/7.0=4, 1020/4.9=3...(7) HA PHE 45 - HE3 LYS 48 OK 19 95 - 20 - 1019/7.0=4, 1020/4.9=3...(7) HA THR 102 - HE2 LYS 85 OK 18 91 - 20 - 2605/3.5=3, 2616/3.5=3...(9) HA THR 102 - HE2 LYS 93 OK 16 92 - 17 - 3068/3.0=3, 3057/3.8=2...(7) HB THR 102 - HE2 LYS 85 OK 15 85 - 17 - 2605/3.5=3, 2616/3.5=3...(6) HA THR 102 - HE3 LYS 85 OK 15 75 - 20 - 2605/3.5=3, 2616/3.5=3...(9) HA ARG 141 - HE2 LYS 48 OK 14 62 - 23 - 8186/3.6=3, 10469/3.6=2...(5) HA ILE 101 - HE2 LYS 93 OK 14 85 - 16 - 11215/3.0=2, 3068/3.0=2...(6) HA ARG 141 - HE3 LYS 48 OK 13 59 - 22 - 8186/3.6=3, 10469/3.6=2...(5) HA ALA 134 - HE2 LYS 93 OK 13 85 - 15 - 2.1/10324=4, ~9637=3...(6) HA ARG 141 - HE2 LYS 93 OK 13 62 - 20 - 3068/3.0=2, 3057/3.8=2...(8) HB THR 102 - HE2 LYS 93 OK 12 85 - 14 - 3068/3.0=2, 3057/3.8=2...(8) HA ALA 134 - HE2 LYS 48 OK 12 85 - 14 - 2.1/10324=4, ~10324=3, ~9637=2 HB THR 102 - HE3 LYS 85 OK 11 68 - 16 - 2605/3.5=3, 2616/3.5=3...(6) HA ALA 134 - HE3 LYS 48 OK 11 81 - 14 - 2.1/10324=4, ~10324=3, ~9637=2 HA ILE 101 - HE2 LYS 48 poor 9 85 - 11 - 1020/4.9=1, 1021/4.9=1...(6) HA ILE 101 - HE3 LYS 48 poor 9 81 - 11 - 1020/4.9=1, 1021/4.9=1...(6) HA PHE 45 - HE2 LYS 85 lone 7 98 - 7 - 1020/4.8=1 HA PHE 45 - HE2 LYS 93 lone 7 98 - 7 - 11215/3.0=1, 3068/3.0=1 HA ILE 101 - HE2 LYS 85 lone 6 85 - 7 - 2605/3.5=1 HA ALA 134 - HE2 LYS 85 lone 6 85 - 7 - 2.1/10324=2, ~10324=1 HA PHE 45 - HE3 LYS 85 lone 6 82 - 7 - 1020/4.8=1 HA THR 102 - HE2 LYS 48 lone 6 91 - 6 - HA THR 102 - HE3 LYS 48 lone 5 88 - 6 - HA ILE 101 - HE3 LYS 85 lone 5 68 - 7 - 2605/3.5=1 HA ALA 134 - HE3 LYS 85 lone 5 68 - 7 - 2.1/10324=2, ~10324=1 HB THR 102 - HE2 LYS 48 lone 4 85 - 5 - HA ARG 141 - HE2 LYS 85 lone 4 62 - 6 - HB THR 102 - HE3 LYS 48 lone 4 81 - 5 - HA ARG 141 - HE3 LYS 85 lone 3 48 - 6 - Peak 3091 from aliabs.peaks (1.84, 2.95, 41.80 ppm; 3.24 A): 5 out of 15 assignments used, quality = 1.00: * HB2 LYS 93 + HE2 LYS 93 OK 94 100 - 94 - 3069/3.0=26, 5.1=25...(78) HB2 LYS 93 + HE2 LYS 48 OK 82 100 - 83 - 3069/3.0=9, 3080/3.0=8...(66) HB2 LYS 93 + HE2 LYS 85 OK 80 100 - 80 - 3026/3.5=5, 1.8/3042=5...(63) HB2 LYS 93 + HE3 LYS 48 OK 78 98 - 80 - 3069/3.0=9, 3080/3.0=8...(59) HB2 LYS 93 + HE3 LYS 85 OK 69 87 - 79 - 3026/3.5=5, 1.8/3042=4...(61) HB3 GLU 28 - HE2 LYS 93 OK 16 62 - 25 - ~8049=6, 3069/3.0=3...(10) HB3 GLU 28 - HE2 LYS 85 lone 6 62 - 9 - 3.0/8049=2, ~8050=1...(4) HB3 GLU 28 - HE2 LYS 48 lone 5 62 - 8 - 3.0/8049=2, ~8049=1 HB3 GLU 28 - HE3 LYS 48 lone 5 59 - 8 - 3.0/8049=2, ~8049=1 HB VAL 80 - HE2 LYS 93 lone 5 68 - 7 - 3069/3.0=2, 3058/3.8=1 HB3 GLU 28 - HE3 LYS 85 lone 4 48 - 9 - 3.0/8049=2, 3.0/8050=1, ~8049=1 HB VAL 80 - HE2 LYS 85 lone 2 67 - 3 - HB VAL 80 - HE3 LYS 85 lone 1 52 - 3 - HB VAL 80 - HE2 LYS 48 lone 1 67 - 2 - HB VAL 80 - HE3 LYS 48 lone 1 63 - 2 - Peak 3092 from aliabs.peaks (1.89, 2.95, 41.80 ppm; 3.24 A): 7 out of 55 assignments used, quality = 1.00: * HB3 LYS 93 + HE2 LYS 93 OK 94 100 - 94 - 5.1=25, ~3069=13...(78) HB3 LYS 93 + HE2 LYS 48 OK 82 100 - 82 - 3040/3.0=6, 3042=5...(65) HB3 LYS 93 + HE2 LYS 85 OK 80 100 - 80 - 3042=5, 3043/1.8=5...(63) HB3 LYS 93 + HE3 LYS 48 OK 77 98 - 79 - 3040/3.0=6, 3042=5...(58) HB3 LYS 93 + HE3 LYS 85 OK 69 87 - 79 - 3042=5, 3038/3.5=5...(61) HB3 LYS 48 + HE2 LYS 48 OK 49 57 - 87 - 4.9=29, 2.9/1191=6...(75) HB3 LYS 48 + HE3 LYS 48 OK 46 54 - 87 - 4.9=29, 2.9/1191=6...(74) HB3 LYS 24 - HE2 LYS 93 OK 41 94 - 44 - 10887/3.8=6, 3070/3.0=5...(21) HB3 LYS 48 - HE2 LYS 93 OK 39 57 - 68 - 2.9/1191=4, 2.9/1180=4...(65) HB3 LYS 48 - HE2 LYS 85 OK 28 57 - 49 - 2.9/1180=3, 2.9/1191=3...(35) HB3 LYS 48 - HE3 LYS 85 OK 21 44 - 49 - 2.9/1191=3, 2.9/1180=3...(36) HB3 ARG 141 - HE2 LYS 48 OK 20 99 - 20 - 4791/3.0=2, 4790/3.6=2...(5) HB3 ARG 141 - HE2 LYS 93 OK 20 100 - 20 - 3070/3.0=3, 3081/3.0=2...(7) HB3 ARG 141 - HE3 LYS 48 OK 19 97 - 20 - 4791/3.0=2, 4790/3.6=2...(5) HB3 ARG 89 - HE2 LYS 93 OK 17 89 - 19 - 3070/3.0=2, 2870/3.0=2...(6) HB3 ARG 140 - HE2 LYS 93 OK 15 100 - 15 - 3070/3.0=2, 3081/3.0=2...(4) HB ILE 101 - HE2 LYS 93 poor 9 72 - 13 - 3070/3.0=1, 3059/3.8=1...(4) HB3 LYS 24 - HE2 LYS 48 lone 9 94 - 10 - HB2 LYS 36 - HE2 LYS 48 poor 9 57 - 15 - 1175/3.6=2, 1186/3.6=1 HB3 LYS 24 - HE3 LYS 48 lone 8 90 - 9 - HB2 LYS 36 - HE3 LYS 48 poor 8 54 - 14 - 1175/3.6=2, 1186/3.6=1 HB3 LYS 24 - HE2 LYS 85 lone 7 94 - 7 - HB2 LYS 36 - HE2 LYS 93 poor 6 57 - 10 - HB3 ARG 89 - HE2 LYS 48 lone 6 88 - 6 - HB3 ARG 89 - HE3 LYS 48 lone 5 85 - 6 - HB3 LYS 24 - HE3 LYS 85 lone 5 78 - 6 - HB2 LYS 36 - HE2 LYS 85 lone 5 57 - 8 - ~677=1 HB3 GLN 111 - HE2 LYS 93 lone 5 94 - 5 - HB3 ARG 140 - HE2 LYS 48 lone 4 100 - 4 - HB3 ARG 141 - HE2 LYS 85 lone 4 99 - 4 - HB3 ARG 140 - HE3 LYS 48 lone 4 98 - 4 - HB3 ARG 141 - HE3 LYS 85 lone 3 85 - 4 - HB2 LYS 36 - HE3 LYS 85 lone 3 44 - 8 - ~677=1 HB3 LEU 69 - HE2 LYS 93 lone 3 68 - 5 - HB ILE 101 - HE2 LYS 48 lone 3 72 - 4 - HB ILE 101 - HE2 LYS 85 lone 3 72 - 4 - ~10177=1 HB ILE 101 - HE3 LYS 48 lone 3 68 - 4 - HB2 GLN 62 - HE2 LYS 93 lone 2 96 - 3 - HB3 LEU 69 - HE2 LYS 85 lone 2 67 - 3 - HB ILE 101 - HE3 LYS 85 lone 2 56 - 4 - ~10177=1 HB3 ARG 89 - HE2 LYS 85 lone 2 88 - 2 - HB3 LEU 69 - HE2 LYS 48 lone 2 67 - 3 - HB3 LEU 69 - HE3 LYS 48 lone 2 63 - 3 - HB3 LEU 69 - HE3 LYS 85 lone 2 52 - 3 - HB3 ARG 140 - HE2 LYS 85 lone 2 100 - 2 - HB3 ARG 89 - HE3 LYS 85 lone 2 72 - 2 - HB3 GLN 111 - HE2 LYS 48 lone 1 94 - 2 - HB2 GLN 62 - HE2 LYS 85 lone 1 96 - 1 - HB3 GLN 111 - HE3 LYS 48 lone 1 90 - 2 - HB3 ARG 140 - HE3 LYS 85 lone 1 87 - 1 - HB2 GLN 62 - HE3 LYS 85 lone 1 80 - 1 - HB3 GLN 111 - HE2 LYS 85 lone 1 94 - 1 - HB2 GLN 62 - HE2 LYS 48 lone 1 96 - 1 - HB2 GLN 62 - HE3 LYS 48 lone 1 93 - 1 - HB3 GLN 111 - HE3 LYS 85 lone 1 78 - 1 - Peak 3093 from aliabs.peaks (1.54, 2.95, 41.80 ppm; 2.56 A): 7 out of 40 assignments used, quality = 1.00: * HG2 LYS 93 + HE2 LYS 93 OK 80 100 - 80 - 3.8=31, 3051/3.0=7...(51) HG3 LYS 85 + HE2 LYS 85 OK 64 81 - 80 - 3.5=40, 1.8/2652=6...(40) HG2 LYS 93 + HE2 LYS 48 OK 62 100 - 63 - 3051/3.0=4, 1.8/3064=3...(39) HG2 LYS 93 + HE2 LYS 85 OK 59 100 - 60 - 3054/1.8=3, 1.8/3064=3...(35) HG2 LYS 93 + HE3 LYS 48 OK 57 98 - 58 - 3051/3.0=4, 3052/3.0=3...(33) HG3 LYS 85 + HE3 LYS 85 OK 51 64 - 79 - 3.5=40, 1.8/2663=6...(40) HG2 LYS 93 + HE3 LYS 85 OK 50 87 - 58 - 1.8/3065=3, 3054=3...(33) HG3 LYS 85 - HE2 LYS 93 OK 42 81 - 51 - 1.8/2652=4, 3071/3.0=4...(22) HG3 LYS 85 - HE2 LYS 48 OK 32 81 - 40 - 1.8/2652=3, 2623=2...(16) HG3 LYS 85 - HE3 LYS 48 OK 30 77 - 39 - 1.8/2652=3, ~2652=2...(16) HG3 LYS 76 - HE2 LYS 85 OK 23 94 - 25 - 2609/3.5=2, 3053=1...(7) HG3 LYS 76 - HE3 LYS 85 OK 19 78 - 24 - 2609/3.5=2, 3053=1...(5) HG3 LYS 76 - HE2 LYS 93 OK 18 94 - 19 - 3071/3.0=3, 3050/3.8=3...(6) HD2 LYS 76 - HE2 LYS 93 OK 18 99 - 18 - 3071/3.0=3, 3060/3.8=2...(5) HD2 LYS 76 - HE2 LYS 85 OK 18 99 - 18 - 2609/3.5=1, 2298/4.8=1 HD2 LYS 76 - HE3 LYS 85 OK 15 84 - 17 - 2609/3.5=1, 2298/4.8=1 HB2 LEU 29 - HE2 LYS 85 OK 10 96 - 11 - ~10042=2 HB2 LEU 29 - HE3 LYS 85 poor 8 80 - 10 - ~10042=2 HG3 LYS 76 - HE2 LYS 48 lone 7 94 - 7 - HG3 LYS 76 - HE3 LYS 48 lone 6 90 - 7 - HD2 LYS 76 - HE2 LYS 48 lone 6 99 - 6 - HD2 LYS 76 - HE3 LYS 48 lone 5 96 - 6 - QB ALA 135 - HE2 LYS 93 lone 5 100 - 5 - 4.0/10324=1 QB ALA 135 - HE2 LYS 85 lone 4 100 - 4 - HB2 LEU 29 - HE2 LYS 93 lone 4 96 - 4 - QB ALA 135 - HE3 LYS 85 lone 4 86 - 4 - HB3 LEU 79 - HE2 LYS 85 lone 3 88 - 3 - QB ALA 135 - HE2 LYS 48 lone 3 100 - 3 - 4.0/10324=1 QB ALA 135 - HE3 LYS 48 lone 3 98 - 3 - 4.0/10324=1 HB3 LEU 79 - HE3 LYS 85 lone 2 72 - 3 - 8890/10052=1 HB2 GLU 122 - HE2 LYS 85 lone 2 81 - 3 - HB2 LEU 29 - HE3 LYS 48 lone 2 93 - 2 - HB2 LEU 29 - HE2 LYS 48 lone 2 96 - 2 - HB2 GLU 122 - HE3 LYS 85 lone 2 64 - 3 - HB3 LEU 79 - HE2 LYS 93 lone 2 89 - 2 - HB3 LEU 79 - HE2 LYS 48 lone 1 88 - 1 - HB3 LEU 79 - HE3 LYS 48 lone 1 85 - 1 - HB2 GLU 122 - HE2 LYS 93 lone 1 81 - 1 - HB2 GLU 122 - HE2 LYS 48 lone 0 81 - 0 - HB2 GLU 122 - HE3 LYS 48 lone 0 77 - 0 - Peak 3094 from aliabs.peaks (1.41, 2.95, 41.80 ppm; 3.25 A): 5 out of 25 assignments used, quality = 1.00: * HG3 LYS 93 + HE2 LYS 93 OK 96 100 - 96 - 3.8=63, 3072/3.0=16...(69) HG3 LYS 93 + HE2 LYS 48 OK 84 100 - 84 - 3064=7, 3063/3.0=6...(71) HG3 LYS 93 + HE2 LYS 85 OK 81 100 - 81 - 3064=7, 3065/1.8=6...(64) HG3 LYS 93 + HE3 LYS 48 OK 79 98 - 81 - 3064=6, 3063/3.0=6...(62) HG3 LYS 93 + HE3 LYS 85 OK 69 87 - 80 - 3065=6, 3065/1.8=5...(63) HD2 LYS 114 - HE2 LYS 93 OK 25 85 - 30 - 3072/3.0=6, 3789/3.0=4...(14) HG2 LYS 36 - HE2 LYS 48 OK 20 77 - 26 - 688/3.6=3, 3072/3.0=2...(7) HG2 LYS 36 - HE3 LYS 48 OK 19 73 - 26 - 688/3.6=3, 3072/3.0=2...(7) HG LEU 116 - HE2 LYS 93 OK 15 81 - 19 - 3072/3.0=3, 2.1/10225=2...(11) HG2 LYS 36 - HE2 LYS 93 OK 14 77 - 18 - 3072/3.0=3, 3083/3.0=2...(5) HG2 LYS 36 - HE2 LYS 85 OK 12 77 - 15 - 688/2.9=1 HD2 LYS 114 - HE2 LYS 48 OK 12 85 - 14 - 3790/3.6=2, 3789/3.0=1 HD2 LYS 114 - HE3 LYS 48 OK 11 81 - 13 - 3790/3.6=2, 3789/3.0=1 HG2 LYS 36 - HE3 LYS 85 poor 9 61 - 14 - 688/2.9=1 HG LEU 116 - HE2 LYS 48 lone 7 81 - 9 - 2.1/10224=1, 2.1/10225=1 HG LEU 116 - HE3 LYS 48 lone 7 77 - 9 - 2.1/10290=1, ~10224=1 HG LEU 116 - HE2 LYS 85 lone 6 81 - 7 - 2.1/10225=1 HB2 ARG 35 - HE2 LYS 93 lone 5 89 - 6 - 3072/3.0=1 HG LEU 116 - HE3 LYS 85 lone 5 64 - 7 - 2.1/10290=1 HD2 LYS 114 - HE2 LYS 85 lone 3 85 - 4 - HD2 LYS 114 - HE3 LYS 85 lone 2 68 - 3 - HB2 ARG 35 - HE2 LYS 48 lone 2 88 - 2 - HB2 ARG 35 - HE3 LYS 48 lone 2 85 - 2 - HB2 ARG 35 - HE2 LYS 85 lone 1 88 - 2 - HB2 ARG 35 - HE3 LYS 85 lone 1 72 - 1 - Peak 3095 from aliabs.peaks (1.71, 2.95, 41.80 ppm; 2.94 A): 7 out of 25 assignments used, quality = 1.00: * HD2 LYS 93 + HE2 LYS 93 OK 99 100 - 99 - 3.0=97, 3072/3.8=10...(74) HD2 LYS 93 + HE2 LYS 48 OK 74 100 - 74 - 3075=8, 1.8/3086=5...(57) HD2 LYS 93 + HE2 LYS 85 OK 72 100 - 72 - 3075=7, 3076/1.8=6...(47) HD2 LYS 93 + HE3 LYS 48 OK 70 98 - 71 - 3075=7, 3075/1.8=5...(54) HB2 LYS 85 + HE2 LYS 85 OK 65 77 - 85 - 4.8=22, 2639/2.9=6...(70) HD2 LYS 93 + HE3 LYS 85 OK 61 87 - 71 - 3075=7, 3075/1.8=5...(44) HB2 LYS 85 + HE3 LYS 85 OK 51 61 - 85 - 4.8=22, 2639/2.9=6...(67) HB2 LYS 85 - HE2 LYS 93 OK 45 77 - 58 - 3062/3.8=4, 3.0/2652=4...(38) HB2 LYS 85 - HE2 LYS 48 OK 36 77 - 47 - 3.0/2652=3, 3.0/2623=2...(26) HB2 LYS 85 - HE3 LYS 48 OK 33 73 - 46 - 3.0/2652=3, 3.0/2623=2...(26) HB3 LEU 95 - HE2 LYS 93 OK 28 99 - 29 - 3062/3.8=4, 3137/3.0=3...(11) HB3 ARG 109 - HE2 LYS 85 OK 14 62 - 23 - 2606/3.5=2, 2617/3.5=1...(6) HD2 LYS 86 - HE2 LYS 85 OK 12 96 - 13 - 2617/3.5=3, 2606/3.5=3...(6) HB3 ARG 109 - HE3 LYS 85 OK 10 48 - 22 - 2606/3.5=2, 2617/3.5=1...(6) HD2 LYS 86 - HE3 LYS 85 OK 10 80 - 13 - 2617/3.5=3, 2606/3.5=3...(6) HB3 LEU 95 - HE2 LYS 85 lone 9 99 - 9 - 2617/3.5=2, 2606/3.5=2 HD2 LYS 86 - HE2 LYS 93 lone 8 96 - 8 - HB3 LEU 95 - HE3 LYS 85 lone 8 84 - 9 - 2617/3.5=2, 2606/3.5=2 HB3 LEU 95 - HE2 LYS 48 lone 6 99 - 6 - HB3 LEU 95 - HE3 LYS 48 lone 6 96 - 6 - HD2 LYS 86 - HE2 LYS 48 lone 2 96 - 2 - HD2 LYS 86 - HE3 LYS 48 lone 2 93 - 2 - HB3 ARG 109 - HE2 LYS 93 lone 2 62 - 3 - HB3 ARG 109 - HE2 LYS 48 lone 1 62 - 2 - HB3 ARG 109 - HE3 LYS 48 lone 1 59 - 2 - Peak 3096 from aliabs.peaks (1.66, 2.95, 41.80 ppm; 2.50 A): 10 out of 65 assignments used, quality = 1.00: * HD3 LYS 93 + HE2 LYS 93 OK 86 100 - 86 - 3.0=60, 3087/1.8=6...(40) HD2 LYS 48 + HE2 LYS 48 OK 80 100 - 80 - 3.0=60, 1198/3.6=6...(37) HD2 LYS 48 + HE3 LYS 48 OK 78 98 - 80 - 3.0=60, 1198/3.6=6...(37) HD3 LYS 48 + HE2 LYS 48 OK 73 91 - 79 - 3.0=60, 1198/3.6=5...(36) HD3 LYS 48 + HE3 LYS 48 OK 70 88 - 79 - 3.0=60, 1198/3.6=5...(36) HD3 LYS 93 + HE2 LYS 48 OK 60 100 - 60 - 3086=7, 1.8/3075=4...(22) HD3 LYS 93 + HE2 LYS 85 OK 58 100 - 58 - 3086=7, 3087/1.8=4...(19) HD3 LYS 93 + HE3 LYS 48 OK 56 98 - 57 - 3086=6, 3086/1.8=4...(21) HD3 LYS 93 + HE3 LYS 85 OK 49 87 - 57 - 3086=6, 3086/1.8=4...(17) HD2 LYS 48 + HE2 LYS 93 OK 47 100 - 47 - 1202=4, 3074/3.0=4...(15) HD3 LYS 48 - HE2 LYS 93 OK 42 92 - 46 - 1202=3, 3074/3.0=3...(14) HD2 LYS 48 - HE2 LYS 85 OK 33 100 - 34 - 1202=3, 3.0/1191=2...(5) HD3 LYS 48 - HE2 LYS 85 OK 29 91 - 32 - 1202=2, 3.0/1191=2...(5) HD2 LYS 48 - HE3 LYS 85 OK 29 87 - 33 - 1203=3, 1202/1.8=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 23 75 - 31 - 1203=2, 3.0/1191=2...(5) HB2 LEU 95 - HE2 LYS 93 OK 16 100 - 16 - 3130/3.0=3, ~3137=1, 3063/3.8=1 HG13 ILE 136 - HE2 LYS 93 OK 15 100 - 16 - 3074/3.0=1, 3086=1...(4) HG2 ARG 89 - HE2 LYS 93 lone 9 100 - 9 - 3074/3.0=1 HB2 PRO 57 - HE2 LYS 93 lone 9 94 - 10 - 1517/3.8=1 HB2 LYS 114 - HE2 LYS 93 poor 9 68 - 13 - 3748/3.8=1, ~3756=1 HG13 ILE 136 - HE2 LYS 48 lone 5 100 - 5 - HG2 ARG 140 - HE2 LYS 93 lone 5 85 - 6 - HG13 ILE 136 - HE3 LYS 48 lone 5 98 - 5 - HB2 ARG 145 - HE2 LYS 85 lone 5 99 - 5 - HB2 LYS 114 - HE2 LYS 48 lone 5 67 - 8 - HB2 LYS 114 - HE3 LYS 48 lone 5 63 - 8 - HB2 ARG 145 - HE3 LYS 85 lone 4 84 - 5 - HB2 PRO 57 - HE2 LYS 85 lone 4 94 - 4 - HB2 LEU 95 - HE2 LYS 48 lone 4 100 - 4 - HB2 LEU 95 - HE2 LYS 85 lone 4 100 - 4 - HB2 LEU 95 - HE3 LYS 48 lone 4 98 - 4 - HB2 MET 68 - HE2 LYS 48 lone 3 94 - 4 - HB2 MET 68 - HE3 LYS 48 lone 3 90 - 3 - HB2 PRO 57 - HE3 LYS 85 lone 3 78 - 4 - HB2 LEU 95 - HE3 LYS 85 lone 3 87 - 4 - HG2 ARG 89 - HE2 LYS 48 lone 3 100 - 3 - HG2 ARG 89 - HE3 LYS 48 lone 3 98 - 3 - HG13 ILE 136 - HE2 LYS 85 lone 2 100 - 2 - HB2 MET 68 - HE2 LYS 93 lone 2 94 - 2 - HB VAL 71 - HE2 LYS 93 lone 2 100 - 2 - HG13 ILE 136 - HE3 LYS 85 lone 2 86 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 2 85 - 2 - HB2 ARG 145 - HE2 LYS 48 lone 2 99 - 2 - HG2 ARG 124 - HE2 LYS 93 lone 2 85 - 2 - HB2 ARG 145 - HE3 LYS 48 lone 2 96 - 2 - HG2 ARG 124 - HE2 LYS 48 lone 2 85 - 2 - HB2 PRO 57 - HE2 LYS 48 lone 1 94 - 2 - HG2 ARG 140 - HE2 LYS 48 lone 1 85 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 1 81 - 2 - HB VAL 71 - HE2 LYS 48 lone 1 100 - 1 - HB2 PRO 57 - HE3 LYS 48 lone 1 90 - 1 - HG2 ARG 124 - HE3 LYS 85 lone 1 68 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 98 - 1 - HB2 ARG 145 - HE2 LYS 93 lone 1 99 - 1 - HG2 ARG 140 - HE3 LYS 48 lone 1 81 - 2 - HG2 ARG 89 - HE2 LYS 85 lone 1 100 - 1 - HB2 LYS 114 - HE2 LYS 85 lone 1 67 - 2 - HG2 ARG 89 - HE3 LYS 85 lone 1 87 - 1 - HB2 MET 68 - HE2 LYS 85 lone 1 94 - 1 - HB2 LYS 114 - HE3 LYS 85 lone 1 52 - 2 - HB VAL 71 - HE2 LYS 85 lone 1 100 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 78 - 1 - HB VAL 71 - HE3 LYS 85 lone 1 87 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 1 85 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 0 68 - 1 - Peak 3097 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 93 + HE2 LYS 93 OK 100 100 - 100 HE2 LYS 85 + HE2 LYS 85 OK 100 100 - 100 HE2 LYS 48 + HE2 LYS 48 OK 100 100 - 100 HE3 LYS 48 + HE3 LYS 48 OK 97 97 - 100 HE3 LYS 85 + HE3 LYS 85 OK 80 80 - 100 Peak 3098 from aliabs.peaks (2.94, 2.95, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 48 + HE3 LYS 48 OK 90 90 - 100 HE2 LYS 85 + HE2 LYS 85 OK 88 88 - 100 HE2 LYS 93 + HE2 LYS 93 OK 85 85 - 100 HE3 LYS 85 + HE3 LYS 85 OK 84 84 - 100 HE2 LYS 48 + HE2 LYS 48 OK 81 81 - 100 Reference assignment not found: HE3 LYS 93 - HE2 LYS 93 Peak 3101 from aliabs.peaks (4.22, 2.94, 41.80 ppm; 3.73 A): 7 out of 32 assignments used, quality = 1.00: * HA LYS 93 + HE3 LYS 93 OK 91 100 - 91 - 5.9=25, 3015/3.8=16...(41) HA LYS 85 + HE3 LYS 85 OK 76 84 - 91 - 5.8=26, 2573/3.5=22...(52) HA LYS 93 + HE3 LYS 85 OK 69 96 - 72 - 3.0/3102=7, 2605/3.5=7...(36) HA LYS 93 + HE3 LYS 48 OK 59 81 - 74 - 3019=6, 3.0/3102=6...(40) HA LYS 85 + HE3 LYS 93 OK 55 92 - 60 - 3068/3.0=6, 3057/3.8=6...(25) HA LYS 85 + HE2 LYS 85 OK 49 55 - 90 - 5.8=26, 2573/3.5=22...(50) HA LYS 93 + HE2 LYS 85 OK 46 65 - 71 - 2605/3.5=7, 2616/3.5=7...(36) HA LYS 85 - HE3 LYS 48 OK 34 69 - 50 - 2578=3, 10469/3.6=3...(21) HA THR 102 - HE3 LYS 85 OK 18 84 - 21 - 2605/3.5=3, 2616/3.5=3...(9) HA THR 102 - HE3 LYS 93 OK 16 92 - 18 - 3068/3.0=3, 3057/3.8=2...(7) HA PHE 45 - HE3 LYS 48 OK 16 76 - 22 - 1019/7.0=5, 1020/4.9=4...(7) HA ILE 101 - HE3 LYS 93 OK 14 85 - 17 - 11215/3.0=3, 3068/3.0=2...(6) HB THR 102 - HE3 LYS 85 OK 14 78 - 18 - 2605/3.5=3, 2616/3.5=3...(6) HA ARG 141 - HE3 LYS 93 OK 14 62 - 22 - 3068/3.0=2, 3057/3.8=2...(10) HB THR 102 - HE3 LYS 93 OK 13 85 - 15 - 3068/3.0=2, 3057/3.8=2...(8) HA ALA 134 - HE3 LYS 93 OK 12 85 - 14 - ~10324=3, ~9637=3...(6) HA THR 102 - HE2 LYS 85 OK 12 55 - 21 - 2605/3.5=3, 2616/3.5=3...(9) HA ARG 141 - HE3 LYS 48 OK 10 43 - 23 - 8186/3.6=3, 10502/6.0=2...(5) HB THR 102 - HE2 LYS 85 poor 9 49 - 18 - 2605/3.5=3, 2616/3.5=3...(6) HA ALA 134 - HE3 LYS 48 poor 8 62 - 13 - ~10324=3, 2.1/10324=3, ~9637=2 HA PHE 45 - HE3 LYS 93 lone 7 98 - 7 - 11215/3.0=1, 3068/3.0=1 HA PHE 45 - HE3 LYS 85 lone 7 92 - 8 - 1020/4.8=1, 2605/3.5=1 HA ILE 101 - HE3 LYS 48 poor 7 62 - 11 - 1020/4.9=1, 1021/4.9=1...(6) HA ILE 101 - HE3 LYS 85 lone 6 78 - 8 - 2605/3.5=1 HA ALA 134 - HE3 LYS 85 lone 5 78 - 7 - ~10324=1, 2.1/10324=1 HA PHE 45 - HE2 LYS 85 lone 5 61 - 8 - 1020/4.8=1, 2605/3.5=1 HA THR 102 - HE3 LYS 48 lone 4 69 - 6 - HA ARG 141 - HE3 LYS 85 lone 4 56 - 6 - HA ILE 101 - HE2 LYS 85 lone 4 49 - 7 - 2605/3.5=1 HA ALA 134 - HE2 LYS 85 lone 3 49 - 6 - 2.1/10324=1, ~10324=1 HB THR 102 - HE3 LYS 48 lone 3 62 - 5 - HA ARG 141 - HE2 LYS 85 lone 2 34 - 6 - Peak 3102 from aliabs.peaks (1.84, 2.94, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 93 + HE3 LYS 93 OK 96 100 - 96 - 5.1=29, 3069/3.0=28...(93) HB2 LYS 93 + HE3 LYS 85 OK 80 96 - 84 - 3031=6, 1.8/3043=5...(72) HB2 LYS 93 + HE3 LYS 48 OK 67 81 - 84 - 3069/3.0=10, 3080/3.0=9...(67) HB2 LYS 93 + HE2 LYS 85 OK 55 65 - 84 - 3026/3.5=5, 3031=5...(74) HB3 GLU 28 - HE3 LYS 93 OK 17 62 - 27 - 3.0/8049=6, 3.0/8050=4...(10) HB3 GLU 28 - HE3 LYS 85 poor 6 56 - 10 - 3.0/8050=2, 3.0/8049=1...(5) HB VAL 80 - HE3 LYS 93 lone 5 68 - 7 - 3069/3.0=2, 3058/3.8=1 HB3 GLU 28 - HE3 LYS 48 lone 4 43 - 8 - 3.0/8049=2, 3.0/8050=1, ~8049=1 HB3 GLU 28 - HE2 LYS 85 lone 3 34 - 10 - 3.0/8050=2, 3.0/8049=1...(4) HB VAL 80 - HE3 LYS 85 lone 2 60 - 3 - HB VAL 80 - HE2 LYS 85 lone 1 37 - 3 - HB VAL 80 - HE3 LYS 48 lone 1 47 - 2 - Peak 3103 from aliabs.peaks (1.89, 2.94, 41.80 ppm; 3.30 A): 5 out of 44 assignments used, quality = 1.00: * HB3 LYS 93 + HE3 LYS 93 OK 95 100 - 95 - 5.1=27, ~3069=13...(89) HB3 LYS 93 + HE3 LYS 85 OK 78 96 - 82 - 3043=6, 3038/3.5=5...(67) HB3 LYS 93 + HE3 LYS 48 OK 65 81 - 81 - 3040/3.0=6, 3043=6...(61) HB3 LYS 93 + HE2 LYS 85 OK 53 65 - 82 - 3043=5, 3043/1.8=5...(70) HB3 LYS 24 + HE3 LYS 93 OK 52 94 - 55 - 3.7/10909=15...(23) HB3 LYS 48 - HE3 LYS 93 OK 41 57 - 72 - 3070/3.0=4, 2.9/1192=3...(70) HB3 LYS 48 - HE3 LYS 48 OK 35 39 - 88 - 4.9=31, 2.9/1191=4...(75) HB3 LYS 48 - HE3 LYS 85 OK 25 51 - 50 - 2.9/1192=3, 2.9/1181=3...(39) HB3 ARG 141 - HE3 LYS 93 OK 21 100 - 21 - 3070/3.0=3, 3081/3.0=2...(7) HB3 ARG 89 - HE3 LYS 93 OK 19 89 - 21 - 3070/3.0=3, 2870/3.0=2...(7) HB3 ARG 141 - HE3 LYS 48 OK 16 79 - 21 - 4791/3.0=3, 4790/3.6=2...(6) HB3 ARG 140 - HE3 LYS 93 OK 16 100 - 16 - 3070/3.0=2, 3081/3.0=2...(4) HB3 LYS 48 - HE2 LYS 85 OK 15 31 - 50 - 2.9/1181=3, 2.9/1192=3...(36) HB ILE 101 - HE3 LYS 93 OK 10 72 - 14 - 3070/3.0=1, 3059/3.8=1...(4) HB3 LYS 24 - HE3 LYS 85 lone 9 87 - 10 - 3.7/10909=2 HB3 LYS 24 - HE3 LYS 48 poor 8 71 - 11 - 3.7/10909=1, 3.0/11315=1 HB2 LYS 36 - HE3 LYS 93 lone 6 57 - 10 - HB2 LYS 36 - HE3 LYS 48 poor 6 39 - 15 - 1175/3.6=2, 1186/3.6=1 HB3 GLN 111 - HE3 LYS 93 lone 5 94 - 6 - HB3 ARG 89 - HE3 LYS 48 lone 4 66 - 6 - HB3 ARG 141 - HE3 LYS 85 lone 4 94 - 4 - HB2 LYS 36 - HE3 LYS 85 lone 4 51 - 8 - ~677=1 HB3 LYS 24 - HE2 LYS 85 lone 4 57 - 7 - HB3 LEU 69 - HE3 LYS 93 lone 3 68 - 5 - HB3 ARG 140 - HE3 LYS 48 lone 3 80 - 4 - HB2 GLN 62 - HE3 LYS 93 lone 3 96 - 3 - HB ILE 101 - HE3 LYS 85 lone 3 65 - 4 - ~10177=1 HB3 ARG 141 - HE2 LYS 85 lone 3 64 - 4 - HB2 LYS 36 - HE2 LYS 85 lone 3 31 - 8 - ~677=1 HB3 LEU 69 - HE3 LYS 85 lone 2 60 - 4 - HB3 ARG 89 - HE3 LYS 85 lone 2 81 - 2 - HB ILE 101 - HE3 LYS 48 lone 2 51 - 4 - HB3 ARG 140 - HE3 LYS 85 lone 2 95 - 2 - HB ILE 101 - HE2 LYS 85 lone 2 40 - 4 - ~10177=1 HB2 GLN 62 - HE3 LYS 85 lone 1 90 - 2 - HB3 LEU 69 - HE3 LYS 48 lone 1 47 - 3 - HB3 LEU 69 - HE2 LYS 85 lone 1 37 - 4 - HB3 ARG 89 - HE2 LYS 85 lone 1 52 - 2 - HB3 GLN 111 - HE3 LYS 48 lone 1 71 - 2 - HB3 ARG 140 - HE2 LYS 85 lone 1 65 - 1 - HB2 GLN 62 - HE2 LYS 85 lone 1 59 - 1 - HB3 GLN 111 - HE3 LYS 85 lone 1 87 - 1 - HB2 GLN 62 - HE3 LYS 48 lone 1 74 - 1 - HB3 GLN 111 - HE2 LYS 85 lone 0 57 - 1 - Peak 3104 from aliabs.peaks (1.54, 2.94, 41.80 ppm; 2.51 A): 4 out of 32 assignments used, quality = 0.98: * HG2 LYS 93 + HE3 LYS 93 OK 79 100 - 79 - 3.8=29, 3051/3.0=7...(47) HG3 LYS 85 + HE3 LYS 85 OK 57 74 - 78 - 3.5=38, 1.8/2663=6...(38) HG2 LYS 93 + HE3 LYS 85 OK 55 96 - 58 - 1.8/3065=4, 3054=4...(32) HG2 LYS 93 + HE3 LYS 48 OK 46 81 - 57 - 3051/3.0=4, 1.8/3065=3...(31) HG3 LYS 85 - HE3 LYS 93 OK 42 81 - 51 - 1.8/2663=4, 3071/3.0=4...(22) HG2 LYS 93 - HE2 LYS 85 OK 38 65 - 58 - 1.8/3065=3, 3054=3...(33) HG3 LYS 85 - HE2 LYS 85 OK 36 46 - 78 - 3.5=38, 1.8/2663=6...(38) HG3 LYS 85 - HE3 LYS 48 OK 22 59 - 37 - 1.8/2663=3, ~2652=2...(14) HG3 LYS 76 - HE3 LYS 85 OK 20 87 - 23 - 2609/3.5=2, 3054=1...(5) HG3 LYS 76 - HE3 LYS 93 OK 17 94 - 18 - 3071/3.0=3, 3050/3.8=2...(6) HD2 LYS 76 - HE3 LYS 93 OK 17 99 - 17 - 3071/3.0=3, 3060/3.8=2...(5) HD2 LYS 76 - HE3 LYS 85 OK 15 93 - 17 - 2609/3.5=1, 2298/4.8=1 HG3 LYS 76 - HE2 LYS 85 OK 13 57 - 22 - 2609/3.5=2, 3054/1.8=1...(4) HD2 LYS 76 - HE2 LYS 85 OK 10 63 - 16 - 2609/3.5=1, 2298/4.8=1 HB2 LEU 29 - HE3 LYS 85 lone 8 90 - 9 - ~10042=2 HB2 LEU 29 - HE2 LYS 85 lone 5 59 - 9 - ~10042=2 HG3 LYS 76 - HE3 LYS 48 lone 5 71 - 7 - HD2 LYS 76 - HE3 LYS 48 lone 4 78 - 5 - QB ALA 135 - HE3 LYS 93 lone 4 100 - 4 - QB ALA 135 - HE3 LYS 85 lone 3 95 - 4 - HB2 LEU 29 - HE3 LYS 93 lone 3 96 - 3 - HB3 LEU 79 - HE3 LYS 85 lone 3 81 - 3 - 8890/10052=1 QB ALA 135 - HE2 LYS 85 lone 2 65 - 4 - HB2 GLU 122 - HE3 LYS 85 lone 2 74 - 2 - HB3 LEU 79 - HE2 LYS 85 lone 2 52 - 3 - 8890/10052=1 HB3 LEU 79 - HE3 LYS 93 lone 2 89 - 2 - QB ALA 135 - HE3 LYS 48 lone 1 80 - 2 - HB2 LEU 29 - HE3 LYS 48 lone 1 74 - 1 - HB2 GLU 122 - HE2 LYS 85 lone 1 46 - 2 - HB2 GLU 122 - HE3 LYS 93 lone 1 81 - 1 - HB3 LEU 79 - HE3 LYS 48 lone 1 66 - 1 - HB2 GLU 122 - HE3 LYS 48 lone 0 59 - 0 - Peak 3105 from aliabs.peaks (1.41, 2.94, 41.80 ppm; 3.32 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 93 + HE3 LYS 93 OK 98 100 - 98 - 3.8=67, 3072/3.0=17...(82) HG3 LYS 93 + HE3 LYS 85 OK 79 96 - 83 - 3065=8, 2.9/3102=6...(66) HG3 LYS 93 + HE3 LYS 48 OK 67 81 - 83 - 3065=8, 3063/3.0=6...(64) HG3 LYS 93 + HE2 LYS 85 OK 54 65 - 82 - 3065=7, 3065/1.8=6...(68) HD2 LYS 114 - HE3 LYS 93 OK 27 85 - 32 - 3072/3.0=6, 3789/3.0=4...(15) HG LEU 116 - HE3 LYS 93 OK 16 81 - 19 - 3072/3.0=3, 2.1/10290=2...(11) HG2 LYS 36 - HE3 LYS 93 OK 15 77 - 20 - 3072/3.0=3, 3083/3.0=2...(6) HG2 LYS 36 - HE3 LYS 48 OK 15 55 - 27 - 688/3.6=3, 3072/3.0=2...(7) HG2 LYS 36 - HE3 LYS 85 OK 11 70 - 15 - 688/2.9=1 HD2 LYS 114 - HE3 LYS 48 poor 9 62 - 14 - 3790/3.6=2, 3789/3.0=1 HG2 LYS 36 - HE2 LYS 85 poor 7 43 - 15 - 688/2.9=1 HB2 ARG 35 - HE3 LYS 93 lone 6 89 - 6 - 3072/3.0=1 HG LEU 116 - HE3 LYS 85 lone 5 74 - 7 - 2.1/10290=1 HG LEU 116 - HE3 LYS 48 lone 5 59 - 8 - 2.1/10290=2, ~10224=1 HG LEU 116 - HE2 LYS 85 lone 3 46 - 7 - 2.1/10290=1, ~10290=1 HD2 LYS 114 - HE3 LYS 85 lone 3 78 - 4 - HD2 LYS 114 - HE2 LYS 85 lone 2 49 - 3 - HB2 ARG 35 - HE3 LYS 48 lone 1 66 - 2 - HB2 ARG 35 - HE3 LYS 85 lone 1 81 - 2 - HB2 ARG 35 - HE2 LYS 85 lone 1 52 - 1 - Peak 3106 from aliabs.peaks (1.71, 2.94, 41.80 ppm; 2.98 A): 6 out of 20 assignments used, quality = 1.00: * HD2 LYS 93 + HE3 LYS 93 OK 100 100 - 100 - 3.0=100 HD2 LYS 93 + HE3 LYS 85 OK 70 96 - 73 - 3076=8, 1.8/3087=5...(45) HB2 LYS 85 + HE3 LYS 85 OK 60 70 - 86 - 4.8=23, 2639/2.9=6...(70) HD2 LYS 93 + HE3 LYS 48 OK 59 81 - 73 - 3076=7, 3075/1.8=6...(55) HD2 LYS 93 + HE2 LYS 85 OK 48 65 - 73 - 3076=7, 3076/1.8=6...(48) HB2 LYS 85 + HE3 LYS 93 OK 47 77 - 62 - 3062/3.8=4, 3.0/2663=4...(39) HB2 LYS 85 - HE2 LYS 85 OK 37 43 - 86 - 4.8=23, 2639/2.9=6...(71) HB3 LEU 95 - HE3 LYS 93 OK 29 99 - 30 - 3062/3.8=4, 3137/3.0=3...(11) HB2 LYS 85 - HE3 LYS 48 OK 26 55 - 47 - 3.0/2663=3, 3.0/2624=2...(28) HB3 ARG 109 - HE3 LYS 85 OK 13 56 - 23 - 2606/3.5=2, 2617/3.5=2...(7) HD2 LYS 86 - HE3 LYS 85 OK 12 90 - 13 - 2617/3.5=3, 2606/3.5=3...(6) HB3 LEU 95 - HE3 LYS 85 lone 9 93 - 10 - 2617/3.5=2, 2606/3.5=2 HD2 LYS 86 - HE3 LYS 93 lone 9 96 - 9 - HD2 LYS 86 - HE2 LYS 85 poor 8 59 - 13 - 2617/3.5=3, 2606/3.5=3...(6) HB3 ARG 109 - HE2 LYS 85 poor 8 34 - 23 - 2606/3.5=2, 2617/3.5=2...(7) HB3 LEU 95 - HE2 LYS 85 lone 6 63 - 9 - 2617/3.5=2, 2606/3.5=2 HB3 LEU 95 - HE3 LYS 48 lone 5 78 - 6 - HB3 ARG 109 - HE3 LYS 93 lone 2 62 - 3 - HD2 LYS 86 - HE3 LYS 48 lone 2 74 - 2 - HB3 ARG 109 - HE3 LYS 48 lone 1 43 - 2 - Peak 3107 from aliabs.peaks (1.66, 2.94, 41.80 ppm; 2.64 A): 7 out of 52 assignments used, quality = 1.00: * HD3 LYS 93 + HE3 LYS 93 OK 91 100 - 91 - 3.0=70, 3086/1.8=6...(52) HD2 LYS 48 + HE3 LYS 48 OK 70 80 - 87 - 3.0=70, 1198/3.6=6...(42) HD3 LYS 93 + HE3 LYS 85 OK 60 96 - 63 - 3087=7, 1.8/3076=5...(23) HD3 LYS 48 + HE3 LYS 48 OK 59 69 - 86 - 3.0=70, 1198/3.6=5...(42) HD2 LYS 48 + HE3 LYS 93 OK 52 100 - 52 - 3074/3.0=4, 1203=3...(28) HD3 LYS 93 + HE3 LYS 48 OK 50 81 - 62 - 3087=6, 3086/1.8=5...(26) HD3 LYS 48 + HE3 LYS 93 OK 47 92 - 51 - 3074/3.0=4, 3084/3.0=3...(27) HD3 LYS 93 - HE2 LYS 85 OK 41 65 - 62 - 3087=6, 3087/1.8=5...(24) HD2 LYS 48 - HE3 LYS 85 OK 35 95 - 36 - 1203=2, 1202/1.8=2...(5) HD3 LYS 48 - HE3 LYS 85 OK 29 84 - 35 - 1203=2, 1.8/1203=2...(5) HD2 LYS 48 - HE2 LYS 85 OK 24 65 - 36 - 1203=2, 1203/1.8=2...(5) HD3 LYS 48 - HE2 LYS 85 OK 19 55 - 34 - 1203=2, 1.8/1203=2...(5) HB2 LEU 95 - HE3 LYS 93 OK 18 100 - 18 - 3130/3.0=4, ~3137=1...(5) HG13 ILE 136 - HE3 LYS 93 OK 18 100 - 18 - 3074/3.0=2, 3087=1...(6) HG2 ARG 89 - HE3 LYS 93 OK 11 100 - 11 - 3074/3.0=1 HB2 PRO 57 - HE3 LYS 93 OK 11 94 - 11 - 1517/3.8=1, 3074/3.0=1 HB2 LYS 114 - HE3 LYS 93 poor 10 68 - 15 - 3748/3.8=1, ~3756=1, 3074/3.0=1 HG2 ARG 140 - HE3 LYS 93 lone 6 85 - 7 - HB2 ARG 145 - HE3 LYS 85 lone 5 93 - 6 - HB2 LYS 114 - HE3 LYS 48 poor 5 47 - 10 - 3745/3.6=1 HG13 ILE 136 - HE3 LYS 48 lone 5 80 - 6 - HB2 PRO 57 - HE3 LYS 85 lone 4 87 - 5 - HB2 LEU 95 - HE3 LYS 85 lone 4 95 - 4 - HB2 ARG 145 - HE2 LYS 85 lone 4 63 - 5 - HB2 LEU 95 - HE3 LYS 48 lone 3 80 - 4 - HB2 MET 68 - HE3 LYS 48 lone 3 71 - 4 - HB2 PRO 57 - HE2 LYS 85 lone 3 57 - 5 - HG2 ARG 89 - HE3 LYS 48 lone 3 80 - 3 - HG13 ILE 136 - HE3 LYS 85 lone 3 95 - 3 - HB2 LEU 95 - HE2 LYS 85 lone 3 65 - 4 - HB VAL 71 - HE3 LYS 93 lone 3 100 - 2 - HB2 MET 68 - HE3 LYS 93 lone 2 94 - 2 - HG2 ARG 124 - HE3 LYS 93 lone 2 85 - 2 - HG2 ARG 124 - HE3 LYS 85 lone 2 78 - 2 - HG13 ILE 136 - HE2 LYS 85 lone 2 65 - 2 - HB2 ARG 145 - HE3 LYS 93 lone 2 99 - 1 - HB2 ARG 145 - HE3 LYS 48 lone 1 78 - 2 - HG2 ARG 124 - HE3 LYS 48 lone 1 62 - 2 - HB VAL 71 - HE3 LYS 48 lone 1 80 - 1 - HG2 ARG 89 - HE3 LYS 85 lone 1 95 - 1 - HB2 PRO 57 - HE3 LYS 48 lone 1 71 - 2 - HG2 ARG 124 - HE2 LYS 85 lone 1 49 - 2 - HG2 ARG 140 - HE3 LYS 48 lone 1 62 - 2 - HB2 LYS 114 - HE3 LYS 85 lone 1 60 - 2 - HG2 ARG 89 - HE2 LYS 85 lone 1 65 - 1 - HB VAL 71 - HE3 LYS 85 lone 1 95 - 1 - HB2 MET 68 - HE3 LYS 85 lone 1 87 - 1 - HG2 ARG 140 - HE3 LYS 85 lone 1 78 - 1 - HB2 LYS 114 - HE2 LYS 85 lone 1 37 - 2 - HB2 MET 68 - HE2 LYS 85 lone 0 57 - 1 - HB VAL 71 - HE2 LYS 85 lone 0 65 - 1 - HG2 ARG 140 - HE2 LYS 85 lone 0 49 - 1 - Peak 3108 from aliabs.peaks (2.95, 2.94, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 85 + HE3 LYS 85 OK 90 90 - 100 HE3 LYS 93 + HE3 LYS 93 OK 85 85 - 100 HE3 LYS 48 + HE3 LYS 48 OK 79 79 - 100 HE2 LYS 85 + HE2 LYS 85 OK 65 65 - 100 Reference assignment not found: HE2 LYS 93 - HE3 LYS 93 Peak 3109 from aliabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 93 + HE3 LYS 93 OK 100 100 - 100 HE3 LYS 85 + HE3 LYS 85 OK 93 93 - 100 HE3 LYS 48 + HE3 LYS 48 OK 71 71 - 100 HE2 LYS 85 + HE2 LYS 85 OK 52 52 - 100 Peak 3112 from aliabs.peaks (3.65, 3.65, 46.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 94 + HA2 GLY 94 OK 100 100 - 100 Peak 3113 from aliabs.peaks (3.96, 3.65, 46.49 ppm; 3.76 A): 1 out of 9 assignments used, quality = 1.00: * HA3 GLY 94 + HA2 GLY 94 OK 100 100 - 100 - 1.8=100 HA ALA 60 - HA2 GLY 94 OK 41 100 - 41 - 8310=20, 2.1/8312=8...(7) HA LYS 48 - HA2 GLY 94 lone 7 96 - 8 - 7109/3.0=2, 7114/3.5=1, ~6442=1 HA LEU 29 - HA2 GLY 94 lone 6 77 - 7 - ~10856=3 HA PHE 106 - HA2 GLY 94 lone 6 100 - 6 - 7109/3.0=1 HB3 SER 103 - HA2 GLY 94 lone 5 98 - 5 - 7109/3.0=1 HD3 PRO 129 - HA2 GLY 94 lone 3 81 - 4 - HA LYS 86 - HA2 GLY 94 lone 2 85 - 2 - HA3 GLY 143 - HA2 GLY 94 lone 1 99 - 1 - Peak 3116 from aliabs.peaks (3.65, 3.96, 46.49 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 94 + HA3 GLY 94 OK 100 100 - 100 - 1.8=100 HA THR 92 - HA3 GLY 94 OK 38 77 - 50 - 10095/3.0=9, ~10087=9...(14) HD3 PRO 12 - HA3 GLY 94 OK 25 77 - 33 - ~58=5, ~106=5, ~98=5...(12) Peak 3117 from aliabs.peaks (3.96, 3.96, 46.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 94 + HA3 GLY 94 OK 100 100 - 100 Peak 3120 from aliabs.peaks (4.28, 4.28, 54.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 95 + HA LEU 95 OK 100 100 - 100 Peak 3121 from aliabs.peaks (1.67, 4.28, 54.31 ppm; 3.39 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 95 + HA LEU 95 OK 100 100 - 100 - 3.0=100 HD3 LYS 93 - HA LEU 95 OK 43 100 - 43 - 1.8/3122=9, 3137/3.0=4...(18) HB2 MET 68 - HA LEU 95 OK 37 96 - 39 - 2.9/10942=11, 8430/3.9=7...(12) HG13 ILE 136 - HA LEU 95 OK 16 100 - 16 - 2.1/10755=2, 2.3/10329=2 HG2 ARG 124 - HA LEU 95 OK 14 81 - 17 - 11070/3.9=2, 3137/3.0=2...(6) HG2 ARG 140 - HA LEU 95 OK 12 81 - 15 - 4733=2, 1.8/4742=2, 2.9/4724=1 HD2 LYS 48 - HA LEU 95 OK 12 100 - 11 - 3137/3.0=1, 7116/3.0=1 HB VAL 71 - HA LEU 95 OK 11 100 - 11 - 3137/3.0=1 HD3 LYS 48 - HA LEU 95 OK 11 94 - 11 - 3137/3.0=1, 7116/3.0=1 HB2 ARG 145 - HA LEU 95 OK 11 100 - 11 - 3.4/11646=2, 3.4/11646=2 HG2 ARG 89 - HA LEU 95 OK 10 100 - 10 - 7116/3.0=1 HB2 PRO 57 - HA LEU 95 lone 3 92 - 3 - HB2 LYS 114 - HA LEU 95 lone 2 62 - 3 - Peak 3122 from aliabs.peaks (1.70, 4.28, 54.31 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 95 + HA LEU 95 OK 100 100 - 100 - 3.0=100 HD2 LYS 93 + HA LEU 95 OK 48 99 - 48 - 3130/3.0=6, 3121=5...(20) HD2 LYS 86 - HA LEU 95 OK 41 100 - 41 - 3130/3.0=7, 3146/4.3=4...(16) HG LEU 26 - HA LEU 95 lone 7 72 - 9 - 2.1/9063=2 Peak 3123 from aliabs.peaks (1.76, 4.28, 54.31 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.95: * HG LEU 95 + HA LEU 95 OK 92 100 - 92 - 4.3=54, 2.1/3125=27...(21) HB ILE 83 + HA LEU 95 OK 40 77 - 52 - 3.0/9061=17, 3.2/10038=5...(16) HB2 PRO 12 - HA LEU 95 OK 32 100 - 32 - 3139/3.0=6, 3131/3.0=6...(10) HG LEU 66 - HA LEU 95 OK 11 100 - 11 - 3131/3.0=2, 3139/3.0=2...(5) HB3 ARG 35 - HA LEU 95 lone 5 89 - 6 - 3139/3.0=1, 3131/3.0=1 HG LEU 39 - HA LEU 95 lone 4 68 - 5 - Peak 3124 from aliabs.peaks (0.80, 4.28, 54.31 ppm; 2.79 A): 5 out of 6 assignments used, quality = 0.89: * QD2 LEU 95 + HA LEU 95 OK 76 100 - 76 - 3.9=36, 7119/3.0=13...(18) QD1 LEU 79 + HA LEU 95 OK 34 100 - 34 - 3152=7, 3140/3.0=5...(9) QD2 LEU 72 + HA LEU 95 OK 12 96 - 13 - 3.2/9063=3, ~9913=2...(5) QD2 LEU 126 + HA LEU 95 OK 12 85 - 15 - 2.1/10253=4, 3140/3.0=2...(5) QG2 THR 74 + HA LEU 95 OK 10 100 - 10 - 7119/3.0=2, 7128/3.6=2...(4) QG1 VAL 80 - HA LEU 95 lone 5 85 - 6 - Peak 3125 from aliabs.peaks (0.83, 4.28, 54.31 ppm; 2.97 A): 2 out of 2 assignments used, quality = 0.89: * QD1 LEU 95 + HA LEU 95 OK 81 100 - 81 - 4.0=42, 7120/3.0=15...(18) HG LEU 42 + HA LEU 95 OK 40 99 - 40 - 3141/3.0=8, 3133/3.0=8...(8) Peak 3128 from aliabs.peaks (4.28, 1.67, 42.25 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 + HB2 LEU 95 OK 52 98 - 53 - 8708/1.8=20, 8710/3.1=7...(13) HA SER 138 - HB2 LEU 95 OK 44 94 - 47 - 10345/1.8=16, 10468=5...(14) HA ALA 135 - HB2 LEU 95 OK 26 72 - 37 - ~9643=6, ~9643=5...(15) HA ARG 49 - HB2 LEU 95 OK 21 94 - 22 - 3136/1.8=5, 7124/4.6=3...(10) HB THR 99 - HB2 LEU 95 OK 17 94 - 18 - 2.1/9154=3, 3136/1.8=3...(9) Peak 3129 from aliabs.peaks (1.67, 1.67, 42.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 95 + HB2 LEU 95 OK 100 100 - 100 Peak 3130 from aliabs.peaks (1.70, 1.67, 42.25 ppm; 3.63 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 1.8=100 HD2 LYS 93 + HB2 LEU 95 OK 61 99 - 62 - 3122/3.0=7, 3154/3.1=5...(27) HD2 LYS 86 + HB2 LEU 95 OK 60 100 - 61 - 3146/3.0=8, 3122/3.0=7...(25) HG LEU 26 - HB2 LEU 95 poor 9 72 - 12 - ~9063=2, 3122/3.0=1 Peak 3131 from aliabs.peaks (1.76, 1.67, 42.25 ppm; 4.22 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.0=100 HB2 PRO 12 + HB2 LEU 95 OK 73 100 - 74 - 3139/1.8=11, ~8732=7...(27) HB ILE 83 + HB2 LEU 95 OK 64 77 - 83 - ~9061=14, 2.1/11042=11...(38) HG LEU 66 - HB2 LEU 95 OK 23 100 - 23 - 3139/1.8=3, 3149/3.1=2...(10) HB3 ARG 35 - HB2 LEU 95 OK 14 89 - 15 - 3139/1.8=2, ~596=1...(5) HG LEU 39 - HB2 LEU 95 poor 9 68 - 12 - ~8113=1, ~8113=1 Peak 3132 from aliabs.peaks (0.80, 1.67, 42.25 ppm; 3.83 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.1=100 QD1 LEU 79 + HB2 LEU 95 OK 69 100 - 69 - 3140/1.8=13, 3148/3.0=11...(25) QD2 LEU 126 - HB2 LEU 95 OK 28 85 - 32 - 3140/1.8=4, ~10253=4...(13) QD2 LEU 72 - HB2 LEU 95 OK 26 96 - 27 - ~9063=3, 3140/1.8=3...(11) QG2 THR 74 - HB2 LEU 95 OK 21 100 - 20 - 3140/1.8=3, 3124/3.0=3...(6) QG1 VAL 80 - HB2 LEU 95 OK 13 85 - 16 - 3140/1.8=2, 3164/3.1=2...(6) Peak 3133 from aliabs.peaks (0.83, 1.67, 42.25 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + HB2 LEU 95 OK 100 100 - 100 - 3.1=100 HG LEU 42 + HB2 LEU 95 OK 79 99 - 80 - 3141/1.8=17, 3149/3.0=14...(22) Peak 3136 from aliabs.peaks (4.28, 1.70, 42.25 ppm; 4.95 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.0=100 HA3 GLY 78 + HB3 LEU 95 OK 58 98 - 59 - 8708=22, 3128/1.8=8...(14) HA SER 138 + HB3 LEU 95 OK 47 94 - 50 - 10345=18, 3128/1.8=7...(14) HA ARG 49 - HB3 LEU 95 OK 38 94 - 40 - 3.6/11579=23, 3128/1.8=3...(11) HA ALA 135 - HB3 LEU 95 OK 26 72 - 37 - ~9643=6, ~9643=5...(14) HB THR 99 - HB3 LEU 95 OK 20 94 - 21 - ~9154=3, 3128/1.8=3...(10) Peak 3137 from aliabs.peaks (1.67, 1.70, 42.25 ppm; 3.76 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 1.8=100 HD3 LYS 93 + HB3 LEU 95 OK 68 100 - 69 - 3.0/3062=7, ~3130=7...(36) HB2 MET 68 + HB3 LEU 95 OK 58 96 - 61 - 8430/3.1=11, ~10095=8...(28) HG2 ARG 124 - HB3 LEU 95 OK 26 81 - 32 - 11070/3.1=3, 3145/3.0=3...(21) HG13 ILE 136 - HB3 LEU 95 OK 24 100 - 24 - ~10759=2, ~11135=2...(10) HD2 LYS 48 - HB3 LEU 95 OK 20 100 - 20 - 3121/3.0=1, 3145/3.0=1...(5) HD3 LYS 48 - HB3 LEU 95 OK 19 94 - 20 - 3121/3.0=1, 1.8/3084=1...(4) HB VAL 71 - HB3 LEU 95 OK 17 100 - 17 - 3145/3.0=1, ~8496=1...(11) HG2 ARG 89 - HB3 LEU 95 OK 13 100 - 13 - 3121/3.0=1, 7116/3.9=1 HB2 ARG 145 - HB3 LEU 95 OK 12 100 - 12 - 3121/3.0=1, ~11646=1 HG2 ARG 140 - HB3 LEU 95 OK 12 81 - 15 - 3121/3.0=1, 3.8/3136=1 HB2 PRO 57 - HB3 LEU 95 lone 5 92 - 5 - 3.9/6528=1 HB2 LYS 114 - HB3 LEU 95 lone 3 62 - 5 - Peak 3138 from aliabs.peaks (1.70, 1.70, 42.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 95 + HB3 LEU 95 OK 100 100 - 100 Peak 3139 from aliabs.peaks (1.76, 1.70, 42.25 ppm; 4.69 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.0=100 HB2 PRO 12 + HB3 LEU 95 OK 81 100 - 81 - 3131/1.8=12, ~8732=9...(28) HB ILE 83 + HB3 LEU 95 OK 69 77 - 89 - ~9061=17, ~9075=12...(38) HG LEU 66 - HB3 LEU 95 OK 27 100 - 27 - 3131/1.8=4, 3146=3...(10) HB3 ARG 35 - HB3 LEU 95 OK 17 89 - 18 - 3131/1.8=2, ~596=2...(9) HG LEU 39 - HB3 LEU 95 poor 9 68 - 13 - 3131/1.8=1 Peak 3140 from aliabs.peaks (0.80, 1.70, 42.25 ppm; 3.90 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.1=100 QD1 LEU 79 + HB3 LEU 95 OK 71 100 - 71 - 3132/1.8=13, 3148/3.0=11...(25) QD2 LEU 126 - HB3 LEU 95 OK 29 85 - 34 - ~10257=4, 3132/1.8=4...(14) QD2 LEU 72 - HB3 LEU 95 OK 23 96 - 24 - 3132/1.8=4, ~9063=3...(11) QG2 THR 74 - HB3 LEU 95 OK 21 100 - 20 - 3132/1.8=4, 3124/3.0=3...(7) QG1 VAL 80 - HB3 LEU 95 OK 13 85 - 15 - 3132/1.8=2, 3164/3.1=2...(6) Peak 3141 from aliabs.peaks (0.83, 1.70, 42.25 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + HB3 LEU 95 OK 100 100 - 100 - 3.1=100 HG LEU 42 + HB3 LEU 95 OK 82 99 - 83 - 3133/1.8=18, 3149/3.0=15...(22) Peak 3144 from aliabs.peaks (4.28, 1.76, 26.21 ppm; 5.13 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 95 + HG LEU 95 OK 100 100 - 100 - 4.3=100 HA3 GLY 78 + HG LEU 95 OK 50 98 - 51 - 8708/3.0=20, 8710/2.1=8...(10) HA SER 138 - HG LEU 95 OK 40 94 - 42 - 10345/3.0=15, 3128/3.0=6...(11) HA ALA 135 - HG LEU 95 OK 25 72 - 35 - 2.1/9643=10, ~9627=6...(9) HA ALA 135 - HG LEU 66 OK 22 60 - 37 - ~10317=12, ~9628=11...(5) HA LEU 95 - HG LEU 66 OK 21 91 - 23 - 3.0/3139=3, 3.0/3131=3...(8) HA3 GLY 78 - HG LEU 66 OK 17 86 - 20 - ~8701=15 HA ARG 49 - HG LEU 95 OK 16 94 - 17 - 3136/3.0=5, 3128/3.0=3...(5) HB THR 99 - HG LEU 95 OK 15 94 - 16 - 3128/3.0=3, 3136/3.0=2...(7) HB THR 99 - HG LEU 66 OK 11 82 - 14 - ~10123=6, ~10164=3 HA SER 138 - HG LEU 66 poor 9 82 - 11 - 4.9/9703=5, 10755/10759=1 HA ARG 49 - HG LEU 66 lone 5 82 - 7 - Peak 3145 from aliabs.peaks (1.67, 1.76, 26.21 ppm; 4.10 A): 5 out of 26 assignments used, quality = 1.00: * HB2 LEU 95 + HG LEU 95 OK 100 100 - 100 - 3.0=100 HB2 MET 68 + HG LEU 95 OK 64 96 - 67 - 8430/2.1=15, ~10095=14...(26) HG13 ILE 136 + HG LEU 66 OK 60 91 - 67 - 2.1/10759=13, ~9892=9...(16) HD3 LYS 93 + HG LEU 95 OK 60 100 - 61 - 1.8/3146=8, 3137/3.0=6...(25) HB VAL 71 + HG LEU 66 OK 56 91 - 61 - ~9898=12, 2090/2.1=10...(15) HB2 PRO 57 - HG LEU 66 OK 33 79 - 42 - ~10423=12, ~8521=9...(7) HG2 ARG 124 - HG LEU 95 OK 30 81 - 36 - 11070/2.1=4, ~10677=3...(19) HG13 ILE 136 - HG LEU 95 OK 24 100 - 24 - 2.1/10759=5, 3137/3.0=2...(7) HB2 LEU 95 - HG LEU 66 OK 21 91 - 23 - 3131=4, 1.8/3139=3...(10) HB VAL 71 - HG LEU 95 OK 21 100 - 21 - ~8496=2, ~8516=2...(8) HB2 LYS 114 - HG LEU 66 OK 20 51 - 38 - ~9862=9, ~9900=5...(15) HG2 ARG 124 - HG LEU 66 OK 17 69 - 25 - ~1916=2, ~11074=2...(13) HG2 ARG 89 - HG LEU 66 OK 17 91 - 18 - 2.8/2871=2, 2879=2...(11) HD2 LYS 48 - HG LEU 95 OK 16 100 - 16 - 3137/3.0=2, 3153/2.1=1...(6) HD3 LYS 48 - HG LEU 95 OK 15 94 - 16 - 3137/3.0=2, 3153/2.1=1...(6) HG2 ARG 89 - HG LEU 95 OK 14 100 - 14 - 3137/3.0=1, 10372/9703=1 HD2 LYS 48 - HG LEU 66 OK 13 91 - 14 - 9684/2.1=2, ~9860=1...(7) HB2 ARG 145 - HG LEU 66 OK 12 89 - 13 - 2.9/3552=1 HD3 LYS 48 - HG LEU 66 OK 12 82 - 14 - 9684/2.1=1, ~9860=1...(7) HG2 ARG 140 - HG LEU 95 OK 11 81 - 13 - 3.8/3144=1, 3121/4.3=1 HB2 ARG 145 - HG LEU 95 OK 11 100 - 11 - 3137/3.0=1 HB2 MET 68 - HG LEU 66 OK 10 84 - 12 - ~8434=3, ~8434=3, ~8438=2 HD3 LYS 93 - HG LEU 66 poor 10 91 - 11 - 9684/2.1=2, 1.8/3146=1 HB2 PRO 57 - HG LEU 95 lone 5 92 - 5 - HB2 LYS 114 - HG LEU 95 lone 3 62 - 5 - HG2 ARG 140 - HG LEU 66 lone 3 69 - 4 - Peak 3146 from aliabs.peaks (1.70, 1.76, 26.21 ppm; 3.92 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 95 + HG LEU 95 OK 100 100 - 100 - 3.0=100 HD2 LYS 93 + HG LEU 95 OK 60 99 - 61 - 3130/3.0=9, 3154/2.1=7...(25) HD2 LYS 86 + HG LEU 95 OK 59 100 - 60 - 3130/3.0=10, 3154/2.1=9...(25) HG LEU 26 - HG LEU 66 OK 44 60 - 73 - 2.1/11466=20...(12) HB3 LEU 95 - HG LEU 66 OK 19 91 - 20 - 1.8/3131=3, 3139=3...(9) HD2 LYS 86 - HG LEU 66 OK 16 90 - 18 - 2730/2.9=4, ~2741=2...(9) HD2 LYS 93 - HG LEU 66 lone 8 88 - 9 - HG LEU 26 - HG LEU 95 poor 8 72 - 10 - 3130/3.0=1, 3154/2.1=1 Peak 3147 from aliabs.peaks (1.76, 1.76, 26.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 95 + HG LEU 95 OK 100 100 - 100 HG LEU 66 + HG LEU 66 OK 90 90 - 100 Peak 3148 from aliabs.peaks (0.80, 1.76, 26.21 ppm; 3.40 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 95 + HG LEU 95 OK 100 100 - 100 - 2.1=100 QD1 LEU 79 + HG LEU 95 OK 63 100 - 63 - 3157/2.1=8, 3140/3.0=8...(24) QD2 LEU 126 - HG LEU 66 OK 32 72 - 44 - ~1917=3, ~1909=3...(27) QG1 VAL 80 - HG LEU 66 OK 27 72 - 38 - ~9984=6, ~9946=5...(14) QD2 LEU 126 - HG LEU 95 OK 19 85 - 22 - 3140/3.0=3, 3132/3.0=3...(9) QG2 THR 74 - HG LEU 95 OK 17 100 - 17 - 4.3/11680=4, 3132/3.0=2...(6) QD2 LEU 95 - HG LEU 66 OK 17 91 - 18 - 3155=2, 3.1/3131=2...(8) QD2 LEU 72 - HG LEU 95 OK 17 96 - 17 - 3132/3.0=2, 3140/3.0=2...(9) QD1 LEU 79 - HG LEU 66 OK 15 90 - 17 - 2.1/8736=3, 11441/4.8=2...(4) QG1 VAL 80 - HG LEU 95 OK 12 85 - 14 - 3.2/2412=2, 3164/2.1=2...(6) QD2 LEU 72 - HG LEU 66 OK 12 84 - 14 - 9947/2.1=8 QG2 THR 74 - HG LEU 66 lone 6 89 - 6 - 11441/4.8=1, 9947/2.1=1 Peak 3149 from aliabs.peaks (0.83, 1.76, 26.21 ppm; 3.60 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 95 + HG LEU 95 OK 100 100 - 100 - 2.1=100 HG LEU 42 + HG LEU 95 OK 79 99 - 79 - 3141/3.0=12, 3157/2.1=12...(22) HG LEU 42 + HG LEU 66 OK 53 88 - 61 - ~8405=19, ~9893=13...(11) QD1 LEU 95 - HG LEU 66 OK 17 91 - 18 - 3.1/3131=2, 3163=2...(9) Peak 3152 from aliabs.peaks (4.28, 0.80, 22.82 ppm; 2.82 A): 4 out of 12 assignments used, quality = 0.92: * HA LEU 95 + QD2 LEU 95 OK 80 100 - 80 - 3.9=37, 3125/2.1=20...(19) HA LEU 95 + QD1 LEU 79 OK 36 93 - 38 - 3124=13, 3.0/3140=5...(9) HA3 GLY 78 + QD2 LEU 95 OK 24 98 - 24 - 8708/3.1=4, 3152=4...(9) HA3 GLY 78 + QD1 LEU 79 OK 23 89 - 25 - 8711/2.1=6, 3.6/2397=6...(6) HA SER 138 - QD2 LEU 95 OK 19 94 - 21 - 10345/3.1=4, 3152=4...(6) HA ALA 135 - QD1 LEU 79 OK 15 62 - 24 - ~9631=7, 2.1/9627=6...(5) HA ALA 135 - QD2 LEU 95 OK 13 72 - 18 - 2.1/9627=3, 3152=3...(8) HA SER 138 - QD1 LEU 79 poor 9 84 - 10 - 3.6/9937=3, 3152=1 HA ARG 49 - QD2 LEU 95 lone 8 94 - 8 - 3152=2, 3136/3.1=1 HB THR 99 - QD2 LEU 95 lone 6 94 - 6 - 3152=1 HA ARG 49 - QD1 LEU 79 lone 4 84 - 5 - HB THR 99 - QD1 LEU 79 lone 2 84 - 2 - Peak 3153 from aliabs.peaks (1.67, 0.80, 22.82 ppm; 2.72 A): 3 out of 26 assignments used, quality = 0.96: * HB2 LEU 95 + QD2 LEU 95 OK 87 100 - 87 - 3.1=65, 1.8/3154=14...(19) HB2 MET 68 + QD2 LEU 95 OK 45 96 - 47 - 2.9/10095=11, 8430=9...(13) HB2 LEU 95 + QD1 LEU 79 OK 40 93 - 44 - 3132=7, 1.8/3140=6...(15) HG2 ARG 124 - QD1 LEU 79 OK 35 71 - 49 - ~9478=6, 11070=5...(24) HD3 LYS 93 - QD2 LEU 95 OK 32 100 - 32 - 1.8/3154=5, 3161/2.1=3...(13) HB2 MET 68 - QD1 LEU 79 OK 24 87 - 28 - 8430=7, 2.9/10095=5...(6) HG2 ARG 124 - QD2 LEU 95 OK 16 81 - 20 - 3153=2, 3.0/9477=2...(9) HB VAL 71 - QD2 LEU 95 OK 14 100 - 14 - 3.0/8496=2, 3153=2...(4) HG13 ILE 136 - QD2 LEU 95 OK 13 100 - 13 - ~10759=1, ~11135=1, 3161/2.1=1 HB2 PRO 57 - QD1 LEU 79 OK 12 82 - 15 - ~10426=7, ~8268=3...(4) HB VAL 71 - QD1 LEU 79 OK 11 93 - 12 - 10593/2.1=4, 3.0/8496=2...(4) HD2 LYS 48 - QD2 LEU 95 lone 10 100 - 10 - 3153=1 HD3 LYS 48 - QD2 LEU 95 lone 9 94 - 10 - 3153=1 HG2 ARG 89 - QD2 LEU 95 lone 7 100 - 7 - HB2 ARG 145 - QD2 LEU 95 lone 6 100 - 6 - HG2 ARG 140 - QD2 LEU 95 lone 6 81 - 7 - HD3 LYS 93 - QD1 LEU 79 lone 5 93 - 6 - HG13 ILE 136 - QD1 LEU 79 lone 4 93 - 5 - HB2 ARG 145 - QD1 LEU 79 lone 4 92 - 5 - HD2 LYS 48 - QD1 LEU 79 lone 3 93 - 3 - HG2 ARG 140 - QD1 LEU 79 lone 3 71 - 4 - HD3 LYS 48 - QD1 LEU 79 lone 3 84 - 3 - HB2 PRO 57 - QD2 LEU 95 lone 2 92 - 2 - HG2 ARG 89 - QD1 LEU 79 lone 2 93 - 2 - HB2 LYS 114 - QD1 LEU 79 lone 2 53 - 4 - HB2 LYS 114 - QD2 LEU 95 lone 2 62 - 3 - Peak 3154 from aliabs.peaks (1.70, 0.80, 22.82 ppm; 2.70 A): 4 out of 8 assignments used, quality = 0.96: * HB3 LEU 95 + QD2 LEU 95 OK 84 100 - 84 - 3.1=63, 3.0/3124=12...(18) HB3 LEU 95 + QD1 LEU 79 OK 41 93 - 44 - 3154=9, 1.8/3132=6...(14) HD2 LYS 86 + QD2 LEU 95 OK 37 100 - 38 - 3154=9, 3146/2.1=6...(12) HD2 LYS 93 + QD2 LEU 95 OK 33 99 - 33 - 3162/2.1=4, 3130/3.1=4...(10) HD2 LYS 93 - QD1 LEU 79 lone 6 90 - 7 - HD2 LYS 86 - QD1 LEU 79 lone 5 92 - 6 - 3154=1 HG LEU 26 - QD2 LEU 95 lone 4 72 - 6 - 3154=1 HG LEU 26 - QD1 LEU 79 lone 1 62 - 2 - Peak 3155 from aliabs.peaks (1.76, 0.80, 22.82 ppm; 2.74 A): 3 out of 12 assignments used, quality = 1.00: * HG LEU 95 + QD2 LEU 95 OK 100 100 - 100 - 2.1=100 HB2 PRO 12 + QD2 LEU 95 OK 48 100 - 48 - 3155=8, 3.0/8732=6...(23) HG LEU 95 + QD1 LEU 79 OK 45 93 - 49 - 3148=12, 2.1/3157=6...(20) HB ILE 83 - QD2 LEU 95 OK 36 77 - 47 - 3.0/9075=10, 3155=4...(25) HB ILE 83 - QD1 LEU 79 OK 24 67 - 35 - 3.0/9075=6, ~2518=3...(18) HG LEU 66 - QD2 LEU 95 OK 12 100 - 12 - 3148=1, 3149/2.1=1 HB3 ARG 35 - QD1 LEU 79 OK 10 78 - 13 - ~8737=3, ~8737=2...(7) HG LEU 66 - QD1 LEU 79 lone 8 92 - 9 - 8736/2.1=1, 3148=1, 4.8/11441=1 HB3 ARG 35 - QD2 LEU 95 lone 8 89 - 9 - 3155=1 HB2 PRO 12 - QD1 LEU 79 lone 7 93 - 8 - 3.0/8732=1, 3155=1 HG LEU 39 - QD2 LEU 95 lone 4 68 - 5 - HG LEU 39 - QD1 LEU 79 lone 1 58 - 3 - Peak 3156 from aliabs.peaks (0.80, 0.80, 22.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 95 + QD2 LEU 95 OK 100 100 - 100 QD1 LEU 79 + QD1 LEU 79 OK 92 92 - 100 Peak 3157 from aliabs.peaks (0.83, 0.80, 22.82 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 95 + QD2 LEU 95 OK 100 100 - 100 - 2.1=100 HG LEU 42 + QD2 LEU 95 OK 52 99 - 53 - 3157=13, 3149/2.1=8...(19) QD1 LEU 95 - QD1 LEU 79 OK 39 93 - 42 - 3164=9, 2.1/3148=6...(16) HG LEU 42 - QD1 LEU 79 lone 8 90 - 8 - 3164=2, ~11003=1 Peak 3160 from aliabs.peaks (4.28, 0.83, 26.88 ppm; 3.57 A): 2 out of 12 assignments used, quality = 0.98: * HA LEU 95 + QD1 LEU 95 OK 96 100 - 96 - 4.0=72, 3124/2.1=25...(18) HA LEU 95 + HG LEU 42 OK 54 95 - 57 - 3125=16, 3.0/3141=12...(8) HA3 GLY 78 - QD1 LEU 95 OK 28 98 - 28 - 8708/3.1=8, 8710/2.1=5...(8) HA SER 138 - QD1 LEU 95 OK 26 94 - 27 - 10345/3.1=7, 3152/2.1=3...(8) HA ALA 135 - QD1 LEU 95 OK 18 72 - 25 - ~9643=4, ~9643=3...(10) HA ARG 49 - QD1 LEU 95 OK 11 94 - 12 - 3136/3.1=2, 3.6/10118=2...(5) HB THR 99 - QD1 LEU 95 OK 10 94 - 11 - 10162/9074=1, 3128/3.1=1...(6) HB THR 99 - HG LEU 42 lone 7 86 - 8 - ~10124=3, 10162/9074=1 HA SER 138 - HG LEU 42 lone 7 86 - 8 - 10345/3141=1 HA3 GLY 78 - HG LEU 42 lone 4 91 - 5 - 8708/3141=2 HA ALA 135 - HG LEU 42 lone 4 64 - 7 - 10445/8849=1, ~10739=1 HA ARG 49 - HG LEU 42 lone 3 86 - 4 - Peak 3161 from aliabs.peaks (1.67, 0.83, 26.88 ppm; 3.04 A): 2 out of 26 assignments used, quality = 0.99: * HB2 LEU 95 + QD1 LEU 95 OK 99 100 - 99 - 3.1=95, 3.0/3125=17...(19) HB2 LEU 95 + HG LEU 42 OK 62 95 - 66 - 3133=13, 1.8/3141=12...(22) HB2 MET 68 - QD1 LEU 95 OK 44 96 - 46 - 8430/2.1=10, ~10095=7...(15) HD3 LYS 93 - QD1 LEU 95 OK 37 100 - 37 - 1.8/3162=5, 3137/3.1=3...(16) HG2 ARG 124 - QD1 LEU 95 OK 18 81 - 21 - 11070/2.1=3, 3145/2.1=2...(6) HG13 ILE 136 - QD1 LEU 95 OK 15 100 - 15 - ~10759=2, 1.8/10116=1...(6) HB VAL 71 - QD1 LEU 95 OK 12 100 - 12 - 3145/2.1=1, 3153/2.1=1...(5) HD2 LYS 48 - QD1 LEU 95 lone 10 100 - 10 - HD3 LYS 48 - QD1 LEU 95 lone 9 94 - 10 - HB2 MET 68 - HG LEU 42 lone 8 89 - 9 - 1966/5.1=3, 4.4/938=2 HG13 ILE 136 - HG LEU 42 lone 8 95 - 8 - HG2 ARG 89 - QD1 LEU 95 lone 7 100 - 7 - HB2 ARG 145 - QD1 LEU 95 lone 6 100 - 6 - HG2 ARG 140 - QD1 LEU 95 lone 6 81 - 7 - HD3 LYS 93 - HG LEU 42 lone 5 95 - 5 - HB2 ARG 145 - HG LEU 42 lone 4 93 - 4 - ~8150=1 HD2 LYS 48 - HG LEU 42 lone 3 95 - 3 - HB2 LYS 114 - HG LEU 42 lone 3 55 - 5 - ~8145=2, ~8154=2 HD3 LYS 48 - HG LEU 42 lone 3 86 - 3 - HG2 ARG 89 - HG LEU 42 lone 3 95 - 3 - HB VAL 71 - HG LEU 42 lone 2 95 - 2 - HG2 ARG 124 - HG LEU 42 lone 2 73 - 3 - HB2 LYS 114 - QD1 LEU 95 lone 2 62 - 3 - HB2 PRO 57 - QD1 LEU 95 lone 2 92 - 2 - HG2 ARG 140 - HG LEU 42 lone 2 73 - 3 - HB2 PRO 57 - HG LEU 42 lone 1 84 - 2 - Peak 3162 from aliabs.peaks (1.70, 0.83, 26.88 ppm; 2.98 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LEU 95 + QD1 LEU 95 OK 97 100 - 97 - 3.1=90, 3.0/3125=16...(18) HB3 LEU 95 + HG LEU 42 OK 61 95 - 64 - 3141=13, 1.8/3133=11...(22) HD2 LYS 86 - QD1 LEU 95 OK 40 100 - 41 - 3146/2.1=7, 3154/2.1=6...(17) HD2 LYS 93 - QD1 LEU 95 OK 40 99 - 40 - 3154/2.1=5, 3130/3.1=5...(17) HD2 LYS 93 - HG LEU 42 lone 6 92 - 7 - HD2 LYS 86 - HG LEU 42 lone 6 94 - 6 - 3146/3149=1, 3130/3133=1 HG LEU 26 - QD1 LEU 95 lone 5 72 - 6 - HG LEU 26 - HG LEU 42 lone 5 64 - 7 - ~10573=5 Peak 3163 from aliabs.peaks (1.76, 0.83, 26.88 ppm; 2.96 A): 3 out of 12 assignments used, quality = 1.00: * HG LEU 95 + QD1 LEU 95 OK 100 100 - 100 - 2.1=100 HG LEU 95 + HG LEU 42 OK 64 95 - 68 - 3149=18, 2.1/3157=10...(22) HB2 PRO 12 + QD1 LEU 95 OK 51 100 - 51 - 3155/2.1=5, 3139/3.1=4...(24) HG LEU 66 - HG LEU 42 OK 42 94 - 45 - ~8405=12, ~9893=8...(11) HB ILE 83 - QD1 LEU 95 OK 39 77 - 51 - 3.0/9067=7, ~9075=6...(26) HB ILE 83 - HG LEU 42 OK 24 69 - 36 - 10016/2.1=5, 3.0/9067=4...(13) HG LEU 66 - QD1 LEU 95 OK 13 100 - 13 - 3149=2, 3155/2.1=1...(4) HG LEU 39 - HG LEU 42 OK 12 60 - 20 - ~8122=11, ~8156=5, 3.0/9073=3 HB3 ARG 35 - QD1 LEU 95 lone 8 89 - 9 - HB2 PRO 12 - HG LEU 42 lone 5 95 - 5 - HG LEU 39 - QD1 LEU 95 lone 4 68 - 6 - HB3 ARG 35 - HG LEU 42 lone 2 80 - 2 - Peak 3164 from aliabs.peaks (0.80, 0.83, 26.88 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 95 + QD1 LEU 95 OK 100 100 - 100 - 2.1=100 QD2 LEU 95 + HG LEU 42 OK 50 95 - 53 - 3157=13, 2.1/3149=8...(19) QD1 LEU 79 - QD1 LEU 95 OK 42 100 - 43 - 3157=10, 3148/2.1=6...(16) QD2 LEU 72 - QD1 LEU 95 OK 11 96 - 12 - 3.2/9074=1, 3132/3.1=1 QD2 LEU 126 - QD1 LEU 95 OK 10 85 - 12 - 3148/2.1=2, 3140/3.1=1 QG1 VAL 80 - QD1 LEU 95 poor 10 85 - 12 - 8765/8849=3, 8766/8847=3 QG2 THR 74 - QD1 LEU 95 lone 8 100 - 8 - 3148/2.1=2, 3132/3.1=1 QD1 LEU 79 - HG LEU 42 lone 8 94 - 9 - 3157=2, ~11003=1 QD2 LEU 72 - HG LEU 42 lone 7 89 - 8 - 8542/2.1=2, ~8541=1 QG1 VAL 80 - HG LEU 42 lone 4 77 - 5 - 8765/8849=1, 8766/8847=1 QD2 LEU 126 - HG LEU 42 lone 3 77 - 4 - ~8156=2 QG2 THR 74 - HG LEU 42 lone 2 93 - 2 - Peak 3165 from aliabs.peaks (0.83, 0.83, 26.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 95 + QD1 LEU 95 OK 100 100 - 100 HG LEU 42 + HG LEU 42 OK 92 92 - 100 Peak 3168 from aliabs.peaks (4.38, 4.38, 53.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 96 + HA ASN 96 OK 100 100 - 100 Peak 3169 from aliabs.peaks (2.74, 4.38, 53.63 ppm; 3.09 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASN 96 + HA ASN 96 OK 100 100 - 100 - 3.0=100 HG3 MET 113 - HA ASN 96 OK 10 99 - 10 - 3183/3.0=2 HB3 PHE 43 - HA ASN 96 lone 6 100 - 6 - HB3 ASP 137 - HA ASN 96 lone 3 68 - 5 - HB2 ASN 54 - HA ASN 96 lone 2 100 - 1 - HB3 ASP 40 - HA ASN 96 lone 1 89 - 1 - HE2 LYS 76 - HA ASN 96 lone 1 77 - 1 - HB3 ASP 16 - HA ASN 96 lone 0 100 - 0 - Peak 3170 from aliabs.peaks (3.12, 4.38, 53.63 ppm; 2.97 A): 1 out of 8 assignments used, quality = 0.99: * HB3 ASN 96 + HA ASN 96 OK 99 100 - 99 - 3.0=96, 1.8/3175=32...(15) HD2 ARG 145 - HA ASN 96 OK 10 100 - 10 - 7132/3.0=2, 3177/3.0=2 HD3 ARG 145 - HA ASN 96 OK 10 100 - 10 - 7132/3.0=2, 3177/3.0=2 HD2 ARG 109 - HA ASN 96 lone 5 99 - 5 - 7132/3.0=1, 7152/3.6=1 HA ALA 105 - HA ASN 96 lone 4 77 - 5 - 7152/3.6=1, 7132/3.0=1 HA VAL 80 - HA ASN 96 lone 3 62 - 5 - 3.2/9083=2 HB3 PHE 106 - HA ASN 96 lone 3 96 - 3 - HA TYR 119 - HA ASN 96 lone 1 77 - 2 - Peak 3175 from aliabs.peaks (4.38, 2.74, 36.78 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.99: * HA ASN 96 + HB2 ASN 96 OK 99 100 - 99 - 3.0=95, 3182/1.8=33...(15) HA ARG 144 - HB2 ASN 96 lone 3 92 - 4 - 3182/1.8=1 HA ASP 30 - HB2 ASN 96 lone 2 72 - 3 - HA ASP 65 - HB2 ASN 96 lone 2 72 - 2 - HA3 GLY 77 - HB2 ASN 96 lone 1 96 - 1 - Peak 3176 from aliabs.peaks (2.74, 2.74, 36.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 96 + HB2 ASN 96 OK 100 100 - 100 Peak 3177 from aliabs.peaks (3.12, 2.74, 36.78 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASN 96 + HB2 ASN 96 OK 100 100 - 100 - 1.8=100 HD2 ARG 145 - HB2 ASN 96 lone 7 100 - 7 - 3170/3.0=1 HD3 ARG 145 - HB2 ASN 96 lone 7 100 - 7 - 3170/3.0=1 HD2 ARG 109 - HB2 ASN 96 lone 4 99 - 4 - HA ALA 105 - HB2 ASN 96 lone 3 77 - 3 - HB3 PHE 106 - HB2 ASN 96 lone 2 96 - 2 - HA VAL 80 - HB2 ASN 96 lone 2 62 - 3 - HA TYR 119 - HB2 ASN 96 lone 1 77 - 1 - Peak 3182 from aliabs.peaks (4.38, 3.12, 36.78 ppm; 2.82 A): 1 out of 5 assignments used, quality = 0.96: * HA ASN 96 + HB3 ASN 96 OK 96 100 - 96 - 3.0=82, 3175/1.8=29...(15) HA ARG 144 - HB3 ASN 96 lone 3 92 - 3 - 3175/1.8=1 HA ASP 30 - HB3 ASN 96 lone 2 72 - 3 - HA ASP 65 - HB3 ASN 96 lone 1 72 - 2 - HA3 GLY 77 - HB3 ASN 96 lone 0 96 - 0 - Peak 3183 from aliabs.peaks (2.74, 3.12, 36.78 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASN 96 + HB3 ASN 96 OK 100 100 - 100 - 1.8=100 HG3 MET 113 - HB3 ASN 96 lone 7 99 - 7 - 3169/3.0=1 HB3 PHE 43 - HB3 ASN 96 lone 3 100 - 3 - HB3 ASP 137 - HB3 ASN 96 lone 2 68 - 3 - HB2 ASN 54 - HB3 ASN 96 lone 1 100 - 1 - HB3 ASP 40 - HB3 ASN 96 lone 1 89 - 1 - HE2 LYS 76 - HB3 ASN 96 lone 0 77 - 0 - HB3 ASP 16 - HB3 ASN 96 lone 0 100 - 0 - Peak 3184 from aliabs.peaks (3.12, 3.12, 36.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 96 + HB3 ASN 96 OK 100 100 - 100 Peak 3188 from aliabs.peaks (7.66, 4.56, 52.55 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 97 + HA LEU 97 OK 100 100 - 100 - 2.9=100 Peak 3189 from aliabs.peaks (4.56, 4.56, 52.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 97 + HA LEU 97 OK 100 100 - 100 Peak 3190 from aliabs.peaks (1.60, 4.56, 52.55 ppm; 4.86 A): 5 out of 11 assignments used, quality = 1.00: * HB2 LEU 97 + HA LEU 97 OK 100 100 - 100 - 3.0=100 HG2 ARG 141 + HA LEU 97 OK 75 100 - 75 - 1.8/3192=11, ~3199=8...(24) HD2 LYS 61 + HA LEU 97 OK 63 89 - 72 - 3.0/3191=8, 3.0/3191=7...(41) HD3 LYS 61 + HA LEU 97 OK 61 85 - 71 - 3.0/3191=8, 3.0/3191=7...(41) HG3 ARG 49 + HA LEU 97 OK 55 89 - 62 - ~11422=11, 9802/3.8=10...(22) HG LEU 108 - HA LEU 97 OK 26 100 - 26 - ~3505=2, 10404/1634=2...(15) HG3 LYS 48 - HA LEU 97 OK 24 89 - 26 - 3.0/3192=2, 3204/3.0=2...(12) HB2 LEU 79 - HA LEU 97 OK 22 85 - 26 - ~11419=6, 7156/2.9=2...(13) HG2 ARG 144 - HA LEU 97 OK 19 100 - 19 - 3204/3.0=2, 3225/3.7=2...(6) HG3 ARG 144 - HA LEU 97 OK 15 81 - 18 - 3204/3.0=1, 3225/3.7=1...(7) HB2 LEU 87 - HA LEU 97 OK 14 62 - 22 - 9134/3.8=3, 7156/2.9=2...(8) Peak 3191 from aliabs.peaks (1.26, 4.56, 52.55 ppm; 4.37 A): 5 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + HA LEU 97 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HA LEU 97 OK 78 100 - 78 - 3198/3.0=8, 3226/3.7=7...(49) QG2 THR 99 + HA LEU 97 OK 73 99 - 74 - 9156=20, 2.1/9159=14...(20) HG2 LYS 61 + HA LEU 97 OK 67 89 - 76 - 3198/3.0=6, 3226/3.7=6...(48) QG2 THR 102 + HA LEU 97 OK 49 98 - 51 - 9191/3.7=8, ~3376=6...(17) HB2 LEU 132 - HA LEU 97 OK 41 100 - 41 - 9593/3.7=5, 3198/3.0=4...(18) Peak 3192 from aliabs.peaks (1.68, 4.56, 52.55 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + HA LEU 97 OK 100 100 - 100 - 4.3=100 HG LEU 26 + HA LEU 97 OK 89 96 - 92 - ~10548=44, ~10558=42...(14) HG3 ARG 141 + HA LEU 97 OK 80 100 - 81 - 3199/3.0=14, 3206/3.0=14...(19) HD3 LYS 48 - HA LEU 97 OK 26 81 - 31 - 3199/3.0=4, 3206/3.0=4...(12) HB2 MET 68 - HA LEU 97 lone 8 77 - 10 - 3199/3.0=1, 3206/3.0=1 HB2 ARG 145 - HA LEU 97 lone 5 62 - 8 - ~7152=2 Peak 3193 from aliabs.peaks (0.85, 4.56, 52.55 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.94: * QD2 LEU 97 + HA LEU 97 OK 92 100 - 92 - 4.1=52, 7159/2.9=19...(28) QG2 ILE 83 + HA LEU 97 OK 23 68 - 34 - 3207/3.0=7, 3200/3.0=6...(10) Peak 3194 from aliabs.peaks (0.89, 4.56, 52.55 ppm; 3.87 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 97 + HA LEU 97 OK 100 100 - 100 - 3.7=100 QD1 ILE 101 + HA LEU 97 OK 85 100 - 85 - 9175/3.8=27, 9173/3.8=25...(22) QG2 ILE 101 + HA LEU 97 OK 71 100 - 72 - 10140=16, 3.1/9172=12...(23) QG2 ILE 56 - HA LEU 97 OK 32 98 - 32 - 10140=7, 11010/3.0=7...(8) QG2 ILE 136 - HA LEU 97 OK 22 100 - 21 - 3208/3.0=3, 3201/3.0=3...(7) QG2 VAL 80 - HA LEU 97 poor 9 81 - 11 - 8754/3.0=3, 3201/3.0=1 Peak 3196 from aliabs.peaks (4.56, 1.60, 41.43 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.0=100 HA MET 59 + HB2 LEU 97 OK 70 98 - 72 - 3203/1.8=10, 3217/3.1=10...(27) HA PRO 98 + HB2 LEU 97 OK 55 68 - 81 - 3.6/9111=21, 3.6/9110=17...(19) HA GLU 28 - HB2 LEU 97 OK 17 72 - 22 - 3203/1.8=3, 3230/4.8=2...(12) HA ASN 130 - HB2 LEU 97 OK 13 85 - 15 - ~10136=3, 3203/1.8=2...(8) Peak 3197 from aliabs.peaks (1.60, 1.60, 41.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 97 + HB2 LEU 97 OK 100 100 - 100 Peak 3198 from aliabs.peaks (1.26, 1.60, 41.43 ppm; 3.63 A): 5 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 1.8=100 HG3 LYS 61 + HB2 LEU 97 OK 71 100 - 71 - 3219/3.1=6, 3226/3.2=6...(47) HG2 LYS 61 + HB2 LEU 97 OK 61 89 - 69 - 3226/3.2=5, 3219/3.1=5...(47) QG2 THR 99 + HB2 LEU 97 OK 57 99 - 58 - 9156/3.0=12, 9155/3.2=10...(19) QG2 THR 102 + HB2 LEU 97 OK 47 98 - 49 - 9191/3.2=6, ~3376=6...(19) HB2 LEU 132 - HB2 LEU 97 OK 40 100 - 40 - 9593/3.2=4, ~4488=3...(19) Peak 3199 from aliabs.peaks (1.68, 1.60, 41.43 ppm; 4.14 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.0=100 HG3 ARG 141 + HB2 LEU 97 OK 83 100 - 83 - 3206/1.8=12, 3220/3.1=10...(38) HG LEU 26 + HB2 LEU 97 OK 70 96 - 72 - 3206/1.8=10, 3227/3.2=9...(24) HD3 LYS 48 - HB2 LEU 97 OK 22 81 - 27 - 3206/1.8=3, 3227/3.2=2...(9) HB2 MET 68 - HB2 LEU 97 lone 6 77 - 8 - HB2 ARG 145 - HB2 LEU 97 lone 4 62 - 5 - Peak 3200 from aliabs.peaks (0.85, 1.60, 41.43 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.1=100 QG2 ILE 83 - HB2 LEU 97 OK 34 68 - 50 - 3207/1.8=9, 3228/3.2=6...(23) Peak 3201 from aliabs.peaks (0.89, 1.60, 41.43 ppm; 3.47 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 97 + HB2 LEU 97 OK 100 100 - 100 - 3.2=100 QD1 ILE 101 + HB2 LEU 97 OK 78 100 - 79 - 10130=22, 9175/4.8=15...(35) QG2 ILE 101 + HB2 LEU 97 OK 70 100 - 70 - 3.1/10130=13, 3208/1.8=9...(33) QG2 ILE 56 - HB2 LEU 97 OK 39 98 - 40 - 11010=9, 3208/1.8=4...(16) QG2 ILE 136 - HB2 LEU 97 OK 29 100 - 29 - 3208/1.8=4, 3222/3.1=3...(13) QG2 VAL 80 - HB2 LEU 97 OK 12 81 - 15 - 8754/1.8=3, ~10110=2 Peak 3203 from aliabs.peaks (4.56, 1.26, 41.43 ppm; 4.31 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.0=100 HA MET 59 + HB3 LEU 97 OK 67 98 - 68 - 3196/1.8=10, 3217/3.1=10...(22) HA PRO 98 + HB3 LEU 97 OK 57 68 - 84 - 3.6/9108=23, 3.6/9107=20...(21) HA GLU 28 - HB3 LEU 97 OK 16 72 - 22 - 3196/1.8=3, 3230/4.8=2...(12) HA ASN 130 - HB3 LEU 97 OK 15 85 - 17 - ~10136=3, 3196/1.8=2...(8) Peak 3204 from aliabs.peaks (1.60, 1.26, 41.43 ppm; 3.71 A): 4 out of 11 assignments used, quality = 1.00: * HB2 LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 1.8=100 HG2 ARG 141 + HB3 LEU 97 OK 75 100 - 75 - 1.8/3206=10, ~3199=7...(38) HD2 LYS 61 + HB3 LEU 97 OK 57 89 - 64 - 5.2/11426=5, 3.6/1665=5...(43) HD3 LYS 61 + HB3 LEU 97 OK 55 85 - 64 - 5.2/11426=5, 3.6/1665=5...(43) HG3 ARG 49 - HB3 LEU 97 OK 36 89 - 40 - 9802/4.8=5, ~11586=4...(19) HG LEU 108 - HB3 LEU 97 OK 21 100 - 21 - ~3505=2, ~3513=2...(11) HG3 LYS 48 - HB3 LEU 97 OK 21 89 - 23 - 3.0/3206=2, 3225/3.2=2...(9) HG2 ARG 144 - HB3 LEU 97 OK 17 100 - 16 - 3218/3.1=1, 4800/3.0=1 HG3 ARG 144 - HB3 LEU 97 OK 14 81 - 17 - 3218/3.1=1, 3225/3.2=1 HB2 LEU 79 - HB3 LEU 97 OK 13 85 - 15 - ~10110=2, ~2375=1, ~2357=1 HB2 LEU 87 - HB3 LEU 97 poor 10 62 - 16 - 9134/4.8=2, ~11006=1...(4) Peak 3205 from aliabs.peaks (1.26, 1.26, 41.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 97 + HB3 LEU 97 OK 100 100 - 100 Peak 3206 from aliabs.peaks (1.68, 1.26, 41.43 ppm; 3.87 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.0=100 HG3 ARG 141 + HB3 LEU 97 OK 76 100 - 76 - 3199/1.8=11, 3220/3.1=9...(38) HG LEU 26 + HB3 LEU 97 OK 66 96 - 69 - 2.1/10129=11, 3199/1.8=9...(23) HD3 LYS 48 - HB3 LEU 97 OK 19 81 - 23 - 3199/1.8=3, 3227/3.2=2...(7) HB2 MET 68 - HB3 LEU 97 lone 6 77 - 7 - HB2 ARG 145 - HB3 LEU 97 lone 3 62 - 4 - Peak 3207 from aliabs.peaks (0.85, 1.26, 41.43 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.1=100 QG2 ILE 83 - HB3 LEU 97 OK 35 68 - 52 - 3200/1.8=9, 3228/3.2=7...(23) Peak 3208 from aliabs.peaks (0.89, 1.26, 41.43 ppm; 3.42 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 97 + HB3 LEU 97 OK 100 100 - 100 - 3.2=100 QD1 ILE 101 + HB3 LEU 97 OK 74 100 - 74 - 10130/1.8=18...(33) QG2 ILE 101 + HB3 LEU 97 OK 67 100 - 68 - 3201/1.8=9, 10140/3.0=8...(33) QG2 ILE 56 - HB3 LEU 97 OK 36 98 - 37 - 11010/1.8=7, 10140/3.0=4...(15) QG2 ILE 136 - HB3 LEU 97 OK 30 100 - 29 - 3.0/10340=4, 3201/1.8=3...(11) QG2 VAL 80 - HB3 LEU 97 OK 16 81 - 19 - 8754=4, ~10110=2, 3201/1.8=1 Peak 3210 from aliabs.peaks (4.56, 1.68, 26.52 ppm; 4.93 A): 4 out of 10 assignments used, quality = 1.00: * HA LEU 97 + HG LEU 97 OK 100 100 - 100 - 4.3=100 HA MET 59 + HG LEU 97 OK 64 98 - 66 - 3224/2.1=13, 3217/2.1=12...(13) HA LEU 97 + HG LEU 26 OK 53 65 - 82 - ~10548=28, ~10558=25...(12) HA PRO 98 + HG LEU 97 OK 47 68 - 70 - ~8304=14, 3224/2.1=13...(11) HA ASN 130 - HG LEU 97 OK 13 85 - 15 - ~10136=4, 3224/2.1=3...(6) HA GLU 28 - HG LEU 97 poor 10 72 - 13 - 3196/3.0=3, 3203/3.0=3...(5) HA MET 59 - HG LEU 26 poor 9 60 - 14 - 8301/11455=4...(7) HA PRO 98 - HG LEU 26 poor 6 36 - 16 - 4.8/3192=7, 3217/3220=1...(6) HA ASN 130 - HG LEU 26 lone 1 49 - 3 - HA GLU 28 - HG LEU 26 lone 1 39 - 3 - Peak 3211 from aliabs.peaks (1.60, 1.68, 26.52 ppm; 3.34 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 97 + HG LEU 97 OK 100 100 - 100 - 3.0=100 HG2 ARG 141 + HG LEU 97 OK 71 100 - 71 - 4800=9, 3218/2.1=6...(31) HD2 LYS 61 - HG LEU 97 OK 45 89 - 50 - 3225/2.1=4, 3218/2.1=4...(25) HD3 LYS 61 - HG LEU 97 OK 43 85 - 50 - 3225/2.1=4, 3218/2.1=4...(25) HB2 LEU 97 - HG LEU 26 OK 38 65 - 58 - 3199=9, 1.8/3206=7...(22) HG2 ARG 141 - HG LEU 26 OK 29 64 - 45 - ~10505=17, 4800=4...(15) HG LEU 108 - HG LEU 26 OK 26 64 - 41 - 3496/2.1=5, ~10906=4...(19) HG3 ARG 49 - HG LEU 97 OK 25 89 - 28 - ~11586=5, ~11585=5...(11) HG3 LYS 48 - HG LEU 97 OK 17 89 - 18 - 3225/2.1=2, 3218/2.1=2...(4) HG2 ARG 144 - HG LEU 97 OK 14 100 - 14 - 4800=2, 3218/2.1=1, 3225/2.1=1 HG LEU 108 - HG LEU 97 OK 13 100 - 13 - 3218/2.1=2, 3225/2.1=1 HG3 ARG 144 - HG LEU 97 OK 11 81 - 14 - 1.8/4800=1, 3218/2.1=1 HB2 LEU 79 - HG LEU 97 lone 8 85 - 10 - ~10110=2 HB2 LEU 87 - HG LEU 97 poor 7 62 - 11 - 4.6/10140=2, ~11006=1...(4) HG3 ARG 49 - HG LEU 26 poor 7 51 - 13 - 3496/2.1=1 HD2 LYS 61 - HG LEU 26 lone 4 51 - 9 - HD3 LYS 61 - HG LEU 26 lone 4 49 - 9 - HG2 ARG 144 - HG LEU 26 lone 1 63 - 2 - HG3 LYS 48 - HG LEU 26 lone 1 51 - 2 - HG3 ARG 144 - HG LEU 26 lone 1 46 - 2 - HB2 LEU 79 - HG LEU 26 lone 1 49 - 2 - HB2 LEU 87 - HG LEU 26 lone 1 33 - 2 - Peak 3212 from aliabs.peaks (1.26, 1.68, 26.52 ppm; 4.78 A): 7 out of 12 assignments used, quality = 1.00: * HB3 LEU 97 + HG LEU 97 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HG LEU 97 OK 87 100 - 88 - 3226/2.1=9, 3219/2.1=9...(53) HG2 LYS 61 + HG LEU 97 OK 77 89 - 87 - ~9129=8, 3226/2.1=8...(53) QG2 THR 99 + HG LEU 97 OK 67 99 - 68 - 9155/2.1=15, 9156/4.3=14...(15) QG2 THR 102 + HG LEU 97 OK 65 98 - 66 - 9191/2.1=12, ~9122=8...(18) HB3 LEU 97 + HG LEU 26 OK 54 65 - 83 - 10129/2.1=14, 3206=12...(24) HB2 LEU 132 + HG LEU 97 OK 54 100 - 53 - 9593/2.1=8, ~9594=5...(21) HB2 LEU 132 - HG LEU 26 OK 23 64 - 35 - ~10577=7, ~10914=4...(13) HG3 LYS 61 - HG LEU 26 OK 21 64 - 33 - ~10584=5, ~269=3, ~269=3...(15) HG2 LYS 61 - HG LEU 26 OK 16 51 - 32 - ~10584=5, ~269=3, ~269=3...(15) QG2 THR 99 - HG LEU 26 lone 5 62 - 8 - 9156/3192=2, 9155/3227=2 QG2 THR 102 - HG LEU 26 lone 3 60 - 5 - 9191/3227=1 Peak 3213 from aliabs.peaks (1.68, 1.68, 26.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 97 + HG LEU 97 OK 100 100 - 100 HG LEU 26 + HG LEU 26 OK 59 59 - 100 Peak 3214 from aliabs.peaks (0.85, 1.68, 26.52 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 97 + HG LEU 97 OK 100 100 - 100 - 2.1=100 QD2 LEU 97 - HG LEU 26 OK 40 65 - 62 - 3220=11, 2.1/3227=8...(23) QG2 ILE 83 - HG LEU 97 OK 35 68 - 51 - 3228/2.1=8, 3207/3.0=6...(22) QG2 ILE 83 - HG LEU 26 poor 6 36 - 17 - ~10571=4, 10659/3.0=3...(6) Peak 3215 from aliabs.peaks (0.89, 1.68, 26.52 ppm; 3.52 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 97 + HG LEU 97 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HG LEU 97 OK 66 100 - 67 - 3222/2.1=8, 3201/3.0=7...(34) QD1 ILE 101 + HG LEU 97 OK 65 100 - 65 - 10130/3.0=14, 3222/2.1=9...(28) QD1 LEU 97 + HG LEU 26 OK 45 65 - 70 - 10908/2.1=13, 3227=11...(24) QG2 ILE 56 - HG LEU 97 OK 36 98 - 37 - 11010/3.0=6, ~9129=5...(14) QG2 ILE 136 - HG LEU 97 OK 33 100 - 33 - 3222/2.1=4, 3208/3.0=3...(18) QG2 ILE 56 - HG LEU 26 OK 27 60 - 44 - ~10595=12, ~10428=11...(16) QG2 VAL 80 - HG LEU 97 OK 15 81 - 18 - ~10110=3, 8754/3.0=2...(5) QG2 VAL 80 - HG LEU 26 OK 14 46 - 31 - 10908/2.1=10, 9948/3.0=5...(8) QD1 ILE 101 - HG LEU 26 poor 9 64 - 14 - 10908/2.1=4...(3) QG2 ILE 101 - HG LEU 26 poor 8 63 - 12 - 10908/2.1=3, 1462/2.1=2 QG2 ILE 136 - HG LEU 26 lone 6 64 - 9 - 10908/2.1=3 Peak 3217 from aliabs.peaks (4.56, 0.85, 22.49 ppm; 3.13 A): 3 out of 5 assignments used, quality = 0.96: * HA LEU 97 + QD2 LEU 97 OK 89 100 - 89 - 4.1=45, 2.9/7159=17...(27) HA MET 59 + QD2 LEU 97 OK 45 98 - 47 - 3.7/9127=10, 3.0/10108=8...(15) HA PRO 98 + QD2 LEU 97 OK 38 68 - 57 - 3.6/9125=16, 3.6/9123=14...(12) HA ASN 130 - QD2 LEU 97 lone 7 85 - 8 - ~10136=2, 3224/2.1=1 HA GLU 28 - QD2 LEU 97 lone 6 72 - 8 - 3224/2.1=1, 3203/3.1=1 Peak 3218 from aliabs.peaks (1.60, 0.85, 22.49 ppm; 3.16 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 97 + QD2 LEU 97 OK 100 100 - 100 - 3.1=100 HG2 ARG 141 + QD2 LEU 97 OK 63 100 - 64 - 1.8/3220=10, 4800/2.1=7...(30) HD2 LYS 61 - QD2 LEU 97 OK 40 89 - 45 - 3.0/3219=5, 3.0/3219=4...(18) HD3 LYS 61 - QD2 LEU 97 OK 38 85 - 45 - 3.0/3219=5, 3.0/3219=4...(18) HG3 ARG 49 - QD2 LEU 97 OK 29 89 - 33 - 3.0/11586=10, ~11585=4...(11) HG LEU 108 - QD2 LEU 97 OK 18 100 - 18 - 3.7/11018=4...(3) HG3 LYS 48 - QD2 LEU 97 OK 15 89 - 17 - 3225/2.1=2, 3.0/3220=1...(4) HG2 ARG 144 - QD2 LEU 97 OK 13 100 - 13 - 3.9/11427=2, 3225/2.1=1 HG3 ARG 144 - QD2 LEU 97 OK 12 81 - 14 - 3.9/11427=2, 3225/2.1=1 HB2 LEU 87 - QD2 LEU 97 poor 8 62 - 13 - 4.6/10137=3, 3.0/11006=3 HB2 LEU 79 - QD2 LEU 97 lone 8 85 - 10 - ~10110=1 Peak 3219 from aliabs.peaks (1.26, 0.85, 22.49 ppm; 3.25 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + QD2 LEU 97 OK 100 100 - 100 - 3.1=100 HG3 LYS 61 + QD2 LEU 97 OK 58 100 - 58 - 3226/2.1=6, 3198/3.1=5...(39) HG2 LYS 61 + QD2 LEU 97 OK 50 89 - 57 - 3226/2.1=5, ~3226=4...(38) QG2 THR 99 + QD2 LEU 97 OK 46 99 - 47 - 9155/2.1=11, 9154/2.1=7...(17) QG2 THR 102 - QD2 LEU 97 OK 41 98 - 42 - 2.1/9122=7, 9191/2.1=6...(17) HB2 LEU 132 - QD2 LEU 97 OK 29 100 - 29 - 9593/2.1=3, 3198/3.1=2...(11) Peak 3220 from aliabs.peaks (1.68, 0.85, 22.49 ppm; 2.93 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + QD2 LEU 97 OK 100 100 - 100 - 2.1=100 HG3 ARG 141 + QD2 LEU 97 OK 57 100 - 57 - 3227/2.1=8, 1.8/3218=6...(23) HG LEU 26 + QD2 LEU 97 OK 50 96 - 52 - 3214=8, 3227/2.1=7...(22) HD3 LYS 48 - QD2 LEU 97 OK 11 81 - 13 - 3227/2.1=2, 3.0/3218=1...(4) HB2 MET 68 - QD2 LEU 97 lone 5 77 - 6 - HB2 ARG 145 - QD2 LEU 97 lone 2 62 - 4 - Peak 3221 from aliabs.peaks (0.85, 0.85, 22.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 97 + QD2 LEU 97 OK 100 100 - 100 Peak 3222 from aliabs.peaks (0.89, 0.85, 22.49 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 97 + QD2 LEU 97 OK 100 100 - 100 - 2.1=100 QD1 ILE 101 - QD2 LEU 97 OK 45 100 - 45 - 10130/3.1=6, 3.2/10108=4...(16) QG2 ILE 101 - QD2 LEU 97 OK 40 100 - 40 - 2.1/10108=5, 3215/2.1=3...(13) QG2 ILE 56 - QD2 LEU 97 OK 21 98 - 21 - 11010/3.1=3, ~9129=2...(7) QG2 ILE 136 - QD2 LEU 97 OK 19 100 - 19 - 2.1/10131=2, 3215/2.1=2...(6) QG2 VAL 80 - QD2 LEU 97 lone 7 81 - 8 - ~10110=1, 8754/3.1=1 Peak 3224 from aliabs.peaks (4.56, 0.89, 26.03 ppm; 3.78 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 97 + QD1 LEU 97 OK 100 100 - 100 - 3.7=100 HA MET 59 + QD1 LEU 97 OK 64 98 - 65 - 3.7/9128=11, 3217/2.1=10...(21) HA PRO 98 + QD1 LEU 97 OK 50 68 - 74 - 3.6/9117=21, 3.6/9115=20...(17) HA ASN 130 - QD1 LEU 97 OK 13 85 - 15 - 2.9/10136=4, 3.6/9552=2...(6) HA GLU 28 - QD1 LEU 97 poor 9 72 - 13 - 3196/3.2=2, 3203/3.2=2...(6) Peak 3225 from aliabs.peaks (1.60, 0.89, 26.03 ppm; 3.09 A): 2 out of 11 assignments used, quality = 0.99: * HB2 LEU 97 + QD1 LEU 97 OK 98 100 - 98 - 3.2=91, 1.8/3208=12...(22) HG2 ARG 141 + QD1 LEU 97 OK 60 100 - 60 - 1.8/3227=9, 2.8/10132=8...(26) HD2 LYS 61 - QD1 LEU 97 OK 41 89 - 46 - 3.6/9129=5, 3.0/3226=4...(20) HD3 LYS 61 - QD1 LEU 97 OK 40 85 - 46 - 3.6/9129=5, 3.0/3226=4...(20) HG3 ARG 49 - QD1 LEU 97 OK 26 89 - 29 - 3.0/11585=7, ~11586=4...(8) HG3 LYS 48 - QD1 LEU 97 OK 16 89 - 18 - 2.9/10132=2, 3.0/3227=1...(5) HG LEU 108 - QD1 LEU 97 OK 13 100 - 13 - 3218/2.1=2 HG2 ARG 144 - QD1 LEU 97 OK 12 100 - 12 - 3218/2.1=1, 4800/2.1=1 HG3 ARG 144 - QD1 LEU 97 OK 10 81 - 13 - 3.0/10132=1, 3218/2.1=1 HB2 LEU 79 - QD1 LEU 97 lone 8 85 - 9 - 3.0/10110=2 HB2 LEU 87 - QD1 LEU 97 poor 7 62 - 11 - 4.6/9103=2, ~11006=1...(4) Peak 3226 from aliabs.peaks (1.26, 0.89, 26.03 ppm; 3.06 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 97 + QD1 LEU 97 OK 97 100 - 97 - 3.2=88, 1.8/3201=12...(23) HG3 LYS 61 + QD1 LEU 97 OK 56 100 - 56 - 3219/2.1=6, 3.0/9129=6...(26) HG2 LYS 61 + QD1 LEU 97 OK 48 89 - 54 - 3.0/9129=6, 3219/2.1=4...(25) QG2 THR 99 + QD1 LEU 97 OK 45 99 - 46 - 9155=9, 9156/3.7=7...(15) QG2 THR 102 - QD1 LEU 97 OK 38 98 - 39 - 9191=6, 4.0/10134=5...(16) HB2 LEU 132 - QD1 LEU 97 OK 29 100 - 29 - 3219/2.1=3, 1.8/9594=3...(10) Peak 3227 from aliabs.peaks (1.68, 0.89, 26.03 ppm; 2.90 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 97 + QD1 LEU 97 OK 100 100 - 100 - 2.1=100 HG3 ARG 141 + QD1 LEU 97 OK 56 100 - 56 - 3220/2.1=8, 2.8/10132=7...(23) HG LEU 26 + QD1 LEU 97 OK 51 96 - 53 - 2.1/10908=9, 3220/2.1=7...(23) HD3 LYS 48 - QD1 LEU 97 OK 13 81 - 15 - 3220/2.1=1, 3.6/10132=1...(5) HB2 MET 68 - QD1 LEU 97 lone 4 77 - 6 - HB2 ARG 145 - QD1 LEU 97 lone 2 62 - 3 - Peak 3228 from aliabs.peaks (0.85, 0.89, 26.03 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 97 + QD1 LEU 97 OK 100 100 - 100 - 2.1=100 QG2 ILE 83 - QD1 LEU 97 OK 22 68 - 33 - 3214/2.1=4, 3207/3.2=3...(14) Peak 3229 from aliabs.peaks (0.89, 0.89, 26.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 97 + QD1 LEU 97 OK 100 100 - 100 Peak 3230 from aliabs.peaks (4.56, 3.42, 50.11 ppm; 3.38 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 97 + HD2 PRO 98 OK 97 100 - 97 - 3.8=72, 3233/1.8=21...(24) HA PRO 98 + HD2 PRO 98 OK 62 68 - 92 - 3.6=83, 3232/1.8=13...(12) HA MET 59 - HD2 PRO 98 OK 31 98 - 32 - 3232/1.8=5, 3224/4.6=4...(14) HA GLU 28 - HD2 PRO 98 OK 12 72 - 17 - 3232/1.8=3, 3266/3.0=2...(6) HA ASN 130 - HD2 PRO 98 lone 4 85 - 4 - Peak 3231 from aliabs.peaks (3.42, 4.56, 52.55 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HA LEU 97 OK 100 100 - 100 - 3.8=100 HB3 TYR 112 - HA LEU 97 OK 28 68 - 41 - 3247/3.8=7, 9108/3.0=6...(13) HA THR 74 - HA LEU 97 poor 9 72 - 12 - 9108/3.0=2, ~11419=2...(6) Peak 3232 from aliabs.peaks (4.56, 3.89, 50.11 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 97 + HD3 PRO 98 OK 97 100 - 97 - 3.8=71, 3231/1.8=26...(21) HA PRO 98 + HD3 PRO 98 OK 61 68 - 90 - 3.6=82, 3230/1.8=13...(11) HA MET 59 - HD3 PRO 98 OK 27 98 - 28 - 3230/1.8=5, 3224/4.6=4...(11) HA GLU 28 - HD3 PRO 98 OK 12 72 - 16 - 3230/1.8=3, 3266/3.0=2...(6) HA ASN 130 - HD3 PRO 98 lone 3 85 - 4 - Peak 3233 from aliabs.peaks (3.89, 4.56, 52.55 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HA LEU 97 OK 100 100 - 100 - 3.8=100 HA MET 46 - HA LEU 97 OK 19 62 - 31 - 9107/3.0=7, 9110/3.0=6...(7) Peak 3234 from aliabs.peaks (4.55, 3.42, 50.11 ppm; 3.56 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 98 + HD2 PRO 98 OK 99 100 - 99 - 3.6=97, 3242/1.8=19...(13) HA LEU 97 + HD2 PRO 98 OK 66 68 - 98 - 3.8=84, 3.0/9108=19...(25) HA GLU 28 - HD2 PRO 98 OK 27 100 - 26 - 3242/1.8=5, 3266/3.0=5...(10) Peak 3235 from aliabs.peaks (2.35, 3.42, 50.11 ppm; 4.50 A): 4 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 GLN 47 + HD2 PRO 98 OK 71 81 - 88 - ~10678=12, 3283/2.3=10...(32) HE2 LYS 123 + HD2 PRO 98 OK 71 100 - 72 - 9469/2.3=24, 3275/2.3=9...(18) HB2 GLN 47 + HD2 PRO 98 OK 70 81 - 85 - 10678/2.3=12...(31) Peak 3236 from aliabs.peaks (1.95, 3.42, 50.11 ppm; 3.79 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 + HD2 PRO 98 OK 64 77 - 83 - 2.9/9131=19, 2.9/9138=12...(46) HG2 PRO 52 + HD2 PRO 98 OK 62 72 - 86 - 2.3/3238=10, 3284/2.3=8...(50) HB3 PRO 52 + HD2 PRO 98 OK 60 68 - 89 - 1.8/3238=11, 3284/2.3=8...(57) HB2 LYS 61 + HD2 PRO 98 OK 52 96 - 54 - 3.0/9132=6, 3244/1.8=5...(23) HB3 GLU 122 - HD2 PRO 98 OK 16 100 - 15 - 1.8/9138=2, 3244/1.8=1...(6) HB3 LEU 132 - HD2 PRO 98 poor 10 72 - 13 - 9594/4.6=2, 4488/4.8=1...(4) HG2 PRO 12 - HD2 PRO 98 lone 7 100 - 7 - HB3 MET 11 - HD2 PRO 98 lone 7 72 - 9 - 9129/4.6=1 Peak 3237 from aliabs.peaks (2.04, 3.42, 50.11 ppm; 3.35 A): 4 out of 5 assignments used, quality = 1.00: * HG2 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HD2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD2 PRO 98 OK 63 89 - 71 - 3245/1.8=7, 3261/3.0=6...(37) HB3 LYS 34 + HD2 PRO 98 OK 50 68 - 75 - 2.9/9131=14, 2.9/9138=9...(38) HB2 PRO 33 - HD2 PRO 98 OK 23 96 - 23 - 3245/1.8=3, 3261/3.0=2...(11) Peak 3238 from aliabs.peaks (2.06, 3.42, 50.11 ppm; 3.35 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HD2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD2 PRO 98 OK 73 100 - 73 - 3246/1.8=9, 3262/3.0=7...(37) HB3 GLN 62 - HD2 PRO 98 OK 15 99 - 15 - 3246/1.8=2, ~1759=2...(8) HA ARG 35 - HD2 PRO 98 OK 14 72 - 19 - ~11042=5, 3246/1.8=2...(11) Peak 3239 from aliabs.peaks (3.42, 3.42, 50.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 98 + HD2 PRO 98 OK 100 100 - 100 Peak 3240 from aliabs.peaks (3.89, 3.42, 50.11 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HD2 PRO 98 OK 100 100 - 100 - 1.8=100 HA MET 46 - HD2 PRO 98 OK 23 62 - 37 - 3280/2.3=5, 3288/2.3=5...(14) Peak 3242 from aliabs.peaks (4.55, 3.89, 50.11 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.99: * HA PRO 98 + HD3 PRO 98 OK 97 100 - 97 - 3.6=91, 3234/1.8=18...(12) HA LEU 97 + HD3 PRO 98 OK 66 68 - 97 - 3.8=79, 3.7/9115=16...(22) HA GLU 28 - HD3 PRO 98 OK 25 100 - 25 - 3234/1.8=5, 3266/3.0=4...(8) Peak 3243 from aliabs.peaks (2.35, 3.89, 50.11 ppm; 4.44 A): 4 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 GLN 47 + HD3 PRO 98 OK 73 81 - 89 - ~10678=12, 3283/2.3=10...(34) HB2 GLN 47 + HD3 PRO 98 OK 71 81 - 87 - 10678/2.3=12...(32) HE2 LYS 123 + HD3 PRO 98 OK 68 100 - 68 - 9469/2.3=23, 3235/1.8=9...(15) Peak 3244 from aliabs.peaks (1.95, 3.89, 50.11 ppm; 4.04 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 3.0=100 HB2 LYS 34 + HD3 PRO 98 OK 67 77 - 87 - ~9131=14, ~9131=10...(47) HG2 PRO 52 + HD3 PRO 98 OK 64 72 - 89 - 2.3/3246=11, 3284/2.3=8...(50) HB3 PRO 52 + HD3 PRO 98 OK 62 68 - 91 - 1.8/3246=12, ~3238=8...(57) HB2 LYS 61 + HD3 PRO 98 OK 56 96 - 58 - 3.0/9136=6, 3.0/9136=6...(22) HB3 GLU 122 - HD3 PRO 98 OK 17 100 - 17 - ~9138=2, 3236/1.8=2...(7) HB3 LEU 132 - HD3 PRO 98 OK 11 72 - 14 - 1.8/9136=2, 9594/4.6=2...(4) HG2 PRO 12 - HD3 PRO 98 lone 8 100 - 7 - HB3 MET 11 - HD3 PRO 98 lone 7 72 - 9 - 9129/4.6=2 Peak 3245 from aliabs.peaks (2.04, 3.89, 50.11 ppm; 3.40 A): 4 out of 5 assignments used, quality = 1.00: * HG2 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HD3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD3 PRO 98 OK 64 89 - 72 - 3237/1.8=7, 3261/3.0=6...(41) HB3 LYS 34 + HD3 PRO 98 OK 52 68 - 76 - ~9131=9, ~9131=7...(39) HB2 PRO 33 - HD3 PRO 98 OK 22 96 - 23 - 3237/1.8=3, 3261/3.0=2...(16) Peak 3246 from aliabs.peaks (2.06, 3.89, 50.11 ppm; 3.40 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HD3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HD3 PRO 98 OK 74 100 - 74 - 3238/1.8=9, 3262/3.0=8...(41) HB3 GLN 62 - HD3 PRO 98 OK 15 99 - 15 - 3238/1.8=2, ~1759=2...(7) HA ARG 35 - HD3 PRO 98 OK 14 72 - 20 - 3.0/11042=6, 3238/1.8=2...(11) Peak 3247 from aliabs.peaks (3.42, 3.89, 50.11 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HD3 PRO 98 OK 100 100 - 100 - 1.8=100 HB3 TYR 112 - HD3 PRO 98 OK 37 68 - 55 - 3279/2.3=8, 3287/2.3=8...(24) HA THR 74 - HD3 PRO 98 poor 8 72 - 10 - 3287/2.3=1, 3279/2.3=1...(5) Peak 3248 from aliabs.peaks (3.89, 3.89, 50.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 98 + HD3 PRO 98 OK 100 100 - 100 Peak 3250 from aliabs.peaks (4.55, 4.55, 62.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 98 + HA PRO 98 OK 100 100 - 100 Peak 3251 from aliabs.peaks (2.35, 4.55, 62.62 ppm; 3.19 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HA PRO 98 OK 100 100 - 100 - 2.3=100 HB2 GLN 47 - HA PRO 98 OK 42 81 - 52 - 1103/2.3=7, 3267/2.3=7...(15) HB3 GLN 47 - HA PRO 98 OK 41 81 - 51 - 3267/2.3=8, 1112/2.3=7...(15) HE2 LYS 123 - HA PRO 98 OK 40 100 - 40 - 9469/3.8=9, 3267/2.3=6...(13) Peak 3252 from aliabs.peaks (1.95, 4.55, 62.62 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PRO 98 + HA PRO 98 OK 100 100 - 100 - 2.3=100 HB3 PRO 52 + HA PRO 98 OK 45 68 - 67 - 1.8/3254=8, 3260/2.3=6...(39) HG2 PRO 52 - HA PRO 98 OK 45 72 - 62 - 2.3/3254=7, 3260/2.3=6...(34) HB2 LYS 34 - HA PRO 98 OK 38 77 - 49 - 3260/2.3=6, 1.8/3253=4...(22) HB2 LYS 61 - HA PRO 98 OK 36 96 - 37 - 3260/2.3=4, ~1673=4...(19) HB3 GLU 122 - HA PRO 98 lone 10 100 - 9 - 3260/2.3=1 HG2 PRO 12 - HA PRO 98 lone 5 100 - 5 - HB3 LEU 132 - HA PRO 98 lone 5 72 - 7 - 1.8/9139=1 HB3 MET 11 - HA PRO 98 lone 4 72 - 6 - Peak 3253 from aliabs.peaks (2.04, 4.55, 62.62 ppm; 3.57 A): 3 out of 5 assignments used, quality = 0.99: * HG2 PRO 98 + HA PRO 98 OK 91 100 - 91 - 3.8=80, 1.8/3282=21...(9) HG3 PRO 98 + HA PRO 98 OK 70 77 - 91 - 3.8=80, 1.8/3274=21...(8) HB2 PRO 52 + HA PRO 98 OK 52 89 - 58 - 3261/2.3=8, 3269/2.3=7...(28) HB3 LYS 34 - HA PRO 98 OK 32 68 - 48 - 3269/2.3=6, 3261/2.3=6...(20) HB2 PRO 33 - HA PRO 98 OK 13 96 - 13 - 3261/2.3=2, 3269/2.3=2...(5) Peak 3254 from aliabs.peaks (2.06, 4.55, 62.62 ppm; 3.57 A): 3 out of 5 assignments used, quality = 0.99: * HG3 PRO 98 + HA PRO 98 OK 91 100 - 91 - 3.8=80, 1.8/3274=21...(9) HG2 PRO 98 + HA PRO 98 OK 70 77 - 91 - 3.8=80, 1.8/3282=21...(7) HB2 PRO 52 + HA PRO 98 OK 61 100 - 62 - 3262/2.3=10, 3270/2.3=9...(28) HB3 GLN 62 - HA PRO 98 OK 13 99 - 13 - 3262/2.3=2, 3270/2.3=2...(7) HA ARG 35 - HA PRO 98 lone 6 72 - 9 - ~6176=2, 3270/2.3=2...(5) Peak 3255 from aliabs.peaks (3.42, 4.55, 62.62 ppm; 5.31 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HA PRO 98 OK 100 100 - 100 - 3.6=100 HB3 TYR 112 - HA PRO 98 OK 43 68 - 64 - 3271/2.3=14, 3263/2.3=14...(13) HA THR 74 - HA PRO 98 OK 13 72 - 17 - 3263/2.3=3, 3271/2.3=3...(7) Peak 3256 from aliabs.peaks (3.89, 4.55, 62.62 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HA PRO 98 OK 100 100 - 100 - 3.6=100 HA MET 46 - HA PRO 98 OK 24 62 - 38 - 3264/2.3=9, 3272/2.3=8...(8) Peak 3258 from aliabs.peaks (4.55, 2.35, 32.00 ppm; 3.05 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 2.3=100 HA LEU 97 + HB2 PRO 98 OK 49 68 - 73 - 3266/1.8=11, 3282/2.3=10...(28) HA GLU 28 - HB2 PRO 98 OK 24 100 - 24 - 3266/1.8=5, 3274/2.3=3...(10) Peak 3259 from aliabs.peaks (2.35, 2.35, 32.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 98 + HB2 PRO 98 OK 100 100 - 100 Peak 3260 from aliabs.peaks (1.95, 2.35, 32.00 ppm; 2.85 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 1.8=100 HG2 PRO 52 + HB2 PRO 98 OK 52 72 - 71 - 2.3/3262=7, 3284/2.3=5...(58) HB3 PRO 52 + HB2 PRO 98 OK 51 68 - 76 - 1.8/3262=8, 3284/2.3=5...(65) HB2 LYS 34 + HB2 PRO 98 OK 47 77 - 61 - 1.8/3261=4, 3284/2.3=4...(38) HB2 LYS 61 - HB2 PRO 98 OK 33 96 - 35 - ~1673=3, 3252/2.3=3...(21) HB3 GLU 122 - HB2 PRO 98 lone 9 100 - 9 - HB3 LEU 132 - HB2 PRO 98 lone 5 72 - 7 - HG2 PRO 12 - HB2 PRO 98 lone 5 100 - 4 - HB3 MET 11 - HB2 PRO 98 lone 4 72 - 5 - Peak 3261 from aliabs.peaks (2.04, 2.35, 32.00 ppm; 3.14 A): 4 out of 5 assignments used, quality = 1.00: * HG2 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HB2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB2 PRO 98 OK 65 89 - 74 - 1.8/3260=7, 3269/1.8=7...(47) HB3 LYS 34 + HB2 PRO 98 OK 47 68 - 70 - 1.8/3260=6, 2.9/9141=5...(43) HB2 PRO 33 - HB2 PRO 98 OK 20 96 - 21 - 3269/1.8=2, 3237/3.0=2...(6) Peak 3262 from aliabs.peaks (2.06, 2.35, 32.00 ppm; 3.14 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HB2 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB2 PRO 98 OK 75 100 - 75 - 3270/1.8=9, 1.8/3260=7...(47) HB3 GLN 62 - HB2 PRO 98 OK 17 99 - 17 - 4.0/10145=3, 3270/1.8=2...(7) HA ARG 35 - HB2 PRO 98 OK 12 72 - 16 - ~11042=4, ~6176=2...(9) Peak 3263 from aliabs.peaks (3.42, 2.35, 32.00 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 + HB2 PRO 98 OK 47 68 - 70 - 3271/1.8=13, 3287/2.3=11...(21) HA THR 74 - HB2 PRO 98 poor 10 72 - 13 - 3271/1.8=2, 3247/3.0=2...(5) Peak 3264 from aliabs.peaks (3.89, 2.35, 32.00 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HB2 PRO 98 OK 100 100 - 100 - 3.0=100 HA MET 46 - HB2 PRO 98 OK 31 62 - 49 - 3272/1.8=8, 3240/3.0=8...(10) Peak 3266 from aliabs.peaks (4.55, 1.95, 32.00 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 2.3=100 HA LEU 97 + HB3 PRO 98 OK 53 68 - 78 - 3258/1.8=13, 3282/2.3=11...(28) HA GLU 28 - HB3 PRO 98 OK 27 100 - 27 - 3258/1.8=5, 3274/2.3=4...(11) Peak 3267 from aliabs.peaks (2.35, 1.95, 32.00 ppm; 2.93 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 1.8=100 HB3 GLN 47 + HB3 PRO 98 OK 53 81 - 65 - 1112/1.8=7, ~1103=6...(28) HB2 GLN 47 + HB3 PRO 98 OK 51 81 - 62 - 1103/1.8=7, 3283/2.3=5...(26) HE2 LYS 123 - HB3 PRO 98 OK 41 100 - 41 - 9469/2.3=9, ~4192=5...(15) Peak 3268 from aliabs.peaks (1.95, 1.95, 32.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 98 + HB3 PRO 98 OK 100 100 - 100 Peak 3269 from aliabs.peaks (2.04, 1.95, 32.00 ppm; 2.99 A): 3 out of 5 assignments used, quality = 1.00: * HG2 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 2.3=100 HG3 PRO 98 + HB3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB3 PRO 98 OK 54 89 - 60 - 3261/1.8=7, 3253/2.3=5...(34) HB3 LYS 34 - HB3 PRO 98 OK 43 68 - 64 - 3261/1.8=5, ~9131=4...(38) HB2 PRO 33 - HB3 PRO 98 OK 18 96 - 18 - 3261/1.8=2, 3237/3.0=2...(4) Peak 3270 from aliabs.peaks (2.06, 1.95, 32.00 ppm; 2.99 A): 3 out of 5 assignments used, quality = 1.00: * HG3 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 98 + HB3 PRO 98 OK 77 77 - 100 - 2.3=100 HB2 PRO 52 + HB3 PRO 98 OK 62 100 - 63 - 3262/1.8=8, 3254/2.3=6...(34) HB3 GLN 62 - HB3 PRO 98 OK 14 99 - 14 - 4.0/6577=2, 3262/1.8=2...(7) HA ARG 35 - HB3 PRO 98 OK 11 72 - 15 - ~11042=3, 2.8/6176=2...(8) Peak 3271 from aliabs.peaks (3.42, 1.95, 32.00 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 3.0=100 HB3 TYR 112 + HB3 PRO 98 OK 47 68 - 70 - 3263/1.8=13, 3287/2.3=11...(21) HA THR 74 - HB3 PRO 98 poor 10 72 - 13 - 3263/1.8=3, 3247/3.0=2...(5) Peak 3272 from aliabs.peaks (3.89, 1.95, 32.00 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HB3 PRO 98 OK 100 100 - 100 - 3.0=100 HA MET 46 - HB3 PRO 98 OK 25 62 - 40 - 3264/1.8=8, 3240/3.0=7...(8) Peak 3274 from aliabs.peaks (4.55, 2.04, 27.30 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.94: * HA PRO 98 + HG2 PRO 98 OK 83 100 - 83 - 3.8=67, 3242/2.3=15...(7) HA LEU 97 + HG2 PRO 98 OK 54 68 - 80 - 3242/2.3=13, 3234/2.3=13...(22) HA GLU 28 + HG2 PRO 98 OK 18 100 - 18 - 3266/2.3=5, 3258/2.3=5...(4) Peak 3275 from aliabs.peaks (2.35, 2.04, 27.30 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 GLN 47 + HG2 PRO 98 OK 55 81 - 68 - 3267/2.3=8, 1112/2.3=7...(23) HB2 GLN 47 + HG2 PRO 98 OK 54 81 - 67 - 1103/2.3=8, 3267/2.3=7...(23) HE2 LYS 123 + HG2 PRO 98 OK 49 100 - 49 - 9469/1.8=13, 3267/2.3=6...(15) Peak 3276 from aliabs.peaks (1.95, 2.04, 27.30 ppm; 2.85 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HG2 PRO 98 OK 53 72 - 74 - 1.8/1374=6, 2.3/1358=5...(57) HB3 PRO 52 + HG2 PRO 98 OK 52 68 - 77 - 3260/2.3=5, 2.3/1366=5...(50) HB2 LYS 34 + HG2 PRO 98 OK 46 77 - 59 - ~9131=5, 3260/2.3=4...(35) HB2 LYS 61 - HG2 PRO 98 OK 29 96 - 30 - 3.0/9143=3, 3260/2.3=3...(15) HB3 GLU 122 - HG2 PRO 98 lone 8 100 - 8 - HG2 PRO 12 - HG2 PRO 98 lone 4 100 - 4 - HB3 LEU 132 - HG2 PRO 98 lone 4 72 - 5 - HB3 MET 11 - HG2 PRO 98 lone 3 72 - 4 - Peak 3277 from aliabs.peaks (2.04, 2.04, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 98 + HG2 PRO 98 OK 100 100 - 100 Peak 3278 from aliabs.peaks (2.06, 2.04, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HG2 PRO 98 + HG2 PRO 98 OK 77 77 - 100 Reference assignment not found: HG3 PRO 98 - HG2 PRO 98 Peak 3279 from aliabs.peaks (3.42, 2.04, 27.30 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 TYR 112 - HG2 PRO 98 OK 34 68 - 50 - 3247/2.3=9, 3263/2.3=8...(18) HA THR 74 - HG2 PRO 98 lone 5 72 - 7 - 3247/2.3=2, 3263/2.3=1...(4) Peak 3280 from aliabs.peaks (3.89, 2.04, 27.30 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HG2 PRO 98 OK 100 100 - 100 - 2.3=100 HA MET 46 - HG2 PRO 98 OK 20 62 - 32 - 3240/2.3=6, 4.1/10715=5...(9) Peak 3282 from aliabs.peaks (4.55, 2.06, 27.30 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.94: * HA PRO 98 + HG3 PRO 98 OK 84 100 - 84 - 3.8=69, 3242/2.3=16...(9) HA LEU 97 + HG3 PRO 98 OK 54 68 - 80 - 3242/2.3=13, 3234/2.3=13...(23) HA GLU 28 + HG3 PRO 98 OK 18 100 - 18 - 3266/2.3=5, 3258/2.3=5...(4) Peak 3283 from aliabs.peaks (2.35, 2.06, 27.30 ppm; 3.33 A): 4 out of 4 assignments used, quality = 1.00: * HB2 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 GLN 47 + HG3 PRO 98 OK 56 81 - 69 - 3267/2.3=8, 2.9/10472=7...(25) HB2 GLN 47 + HG3 PRO 98 OK 56 81 - 68 - 1103/2.3=8, 3267/2.3=8...(25) HE2 LYS 123 + HG3 PRO 98 OK 49 100 - 50 - 9469=13, 3267/2.3=6...(15) Peak 3284 from aliabs.peaks (1.95, 2.06, 27.30 ppm; 2.89 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HG2 PRO 52 + HG3 PRO 98 OK 55 72 - 76 - 1.8/1374=8, 2.3/1358=7...(57) HB3 PRO 52 + HG3 PRO 98 OK 54 68 - 80 - 2.3/1366=7, 2.3/1374=7...(52) HB2 LYS 34 + HG3 PRO 98 OK 47 77 - 62 - 2.9/10142=6, ~9131=5...(35) HB2 LYS 61 - HG3 PRO 98 OK 28 96 - 29 - 3260/2.3=3, ~1673=3...(18) HB3 GLU 122 - HG3 PRO 98 lone 8 100 - 8 - HG2 PRO 12 - HG3 PRO 98 lone 4 100 - 4 - HB3 LEU 132 - HG3 PRO 98 lone 4 72 - 6 - HB3 MET 11 - HG3 PRO 98 lone 3 72 - 4 - Peak 3285 from aliabs.peaks (2.04, 2.06, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HG3 PRO 98 + HG3 PRO 98 OK 77 77 - 100 Reference assignment not found: HG2 PRO 98 - HG3 PRO 98 Peak 3286 from aliabs.peaks (2.06, 2.06, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 98 + HG3 PRO 98 OK 100 100 - 100 Peak 3287 from aliabs.peaks (3.42, 2.06, 27.30 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HB3 TYR 112 - HG3 PRO 98 OK 35 68 - 51 - 3247/2.3=9, 3263/2.3=8...(18) HA THR 74 - HG3 PRO 98 lone 6 72 - 8 - 3247/2.3=2, 3263/2.3=2...(4) Peak 3288 from aliabs.peaks (3.89, 2.06, 27.30 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 98 + HG3 PRO 98 OK 100 100 - 100 - 2.3=100 HA MET 46 - HG3 PRO 98 OK 19 62 - 31 - 3240/2.3=6, 3264/2.3=5...(8) Peak 3291 from aliabs.peaks (4.11, 4.11, 62.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 99 + HA THR 99 OK 100 100 - 100 Peak 3292 from aliabs.peaks (4.27, 4.11, 62.82 ppm; 2.59 A): 1 out of 7 assignments used, quality = 0.82: * HB THR 99 + HA THR 99 OK 82 100 - 82 - 3.0=63, 2.1/3301=22...(13) HA SER 138 - HA THR 99 lone 4 100 - 4 - 3302/3.2=1 HA ALA 135 - HA THR 99 lone 4 96 - 4 - ~9626=1 HA LEU 95 - HA THR 99 lone 3 94 - 3 - HA2 GLY 50 - HA THR 99 lone 3 68 - 4 - HA ARG 49 - HA THR 99 lone 2 100 - 2 - HA3 GLY 78 - HA THR 99 lone 0 77 - 1 - Peak 3293 from aliabs.peaks (1.27, 4.11, 62.82 ppm; 2.63 A): 3 out of 6 assignments used, quality = 0.86: * QG2 THR 99 + HA THR 99 OK 78 100 - 78 - 3.2=55, 2.1/3292=24...(12) HB3 LEU 97 + HA THR 99 OK 27 99 - 28 - 3298/3.0=4, 3.2/9148=3...(13) HB2 LEU 132 + HA THR 99 OK 13 100 - 14 - 4478/3.6=2, 3298/3.0=2...(5) HG3 LYS 61 - HA THR 99 lone 7 96 - 7 - 7171/3.0=1 HG2 LYS 61 - HA THR 99 lone 4 72 - 6 - QG2 THR 102 - HA THR 99 lone 3 100 - 3 - Peak 3296 from aliabs.peaks (4.11, 4.27, 68.69 ppm; 2.74 A): 2 out of 4 assignments used, quality = 0.91: * HA THR 99 + HB THR 99 OK 89 100 - 89 - 3.0=75, 3301/2.1=24...(13) HA PRO 52 + HB THR 99 OK 18 89 - 21 - 3292=6, 3301/2.1=6...(6) HB THR 110 - HB THR 99 lone 5 98 - 5 - 3301/2.1=2, ~10160=1 HA ARG 145 - HB THR 99 lone 2 68 - 2 - Peak 3297 from aliabs.peaks (4.27, 4.27, 68.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 99 + HB THR 99 OK 100 100 - 100 Peak 3298 from aliabs.peaks (1.27, 4.27, 68.69 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 99 + HB THR 99 OK 100 100 - 100 - 2.1=100 HB3 LEU 97 - HB THR 99 OK 31 99 - 31 - 3.0/9159=4, 3293/3.0=4...(15) HB2 LEU 132 - HB THR 99 OK 13 100 - 13 - 3293/3.0=2, 4478/4.4=2 HG3 LYS 61 - HB THR 99 lone 6 96 - 6 - HG2 LYS 61 - HB THR 99 lone 3 72 - 4 - QG2 THR 102 - HB THR 99 lone 3 100 - 3 - Peak 3301 from aliabs.peaks (4.11, 1.27, 21.65 ppm; 2.53 A): 2 out of 4 assignments used, quality = 0.77: * HA THR 99 + QG2 THR 99 OK 73 100 - 73 - 3.2=49, 3292/2.1=22...(11) HA PRO 52 + QG2 THR 99 OK 17 89 - 19 - 3296/2.1=4, 3293=4...(5) HB THR 110 - QG2 THR 99 lone 5 98 - 5 - 3.0/10160=2, 3296/2.1=1 HA ARG 145 - QG2 THR 99 lone 1 68 - 2 - Peak 3302 from aliabs.peaks (4.27, 1.27, 21.65 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB THR 99 + QG2 THR 99 OK 100 100 - 100 - 2.1=100 HA SER 138 - QG2 THR 99 lone 9 100 - 9 - 3.0/10159=2, 3.0/10159=2 HA ALA 135 - QG2 THR 99 lone 6 96 - 6 - 2.1/9626=2 HA LEU 95 - QG2 THR 99 lone 5 94 - 5 - HA2 GLY 50 - QG2 THR 99 lone 4 68 - 6 - 1.8/10160=2 HA ARG 49 - QG2 THR 99 lone 3 100 - 3 - HA3 GLY 78 - QG2 THR 99 lone 0 77 - 1 - Peak 3303 from aliabs.peaks (1.27, 1.27, 21.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 99 + QG2 THR 99 OK 100 100 - 100 Peak 3306 from aliabs.peaks (4.30, 4.30, 57.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 100 + HA SER 100 OK 100 100 - 100 Peak 3307 from aliabs.peaks (3.83, 4.30, 57.98 ppm; 2.64 A): 1 out of 7 assignments used, quality = 0.86: * HB2 SER 100 + HA SER 100 OK 86 100 - 86 - 3.0=68, 1.8/3316=28...(13) HA GLN 133 - HA SER 100 lone 6 85 - 8 - 7179/2.9=2, 7185/3.6=1 HA ALA 104 - HA SER 100 lone 6 68 - 8 - 7185/3.6=1, 3317/3.0=1 HA LEU 66 - HA SER 100 lone 4 96 - 4 - HB2 SER 127 - HA SER 100 lone 3 77 - 4 - HA3 GLY 50 - HA SER 100 lone 2 85 - 3 - HA THR 110 - HA SER 100 lone 1 62 - 1 - Peak 3308 from aliabs.peaks (4.01, 4.30, 57.98 ppm; 2.68 A): 1 out of 10 assignments used, quality = 0.86: * HB3 SER 100 + HA SER 100 OK 86 100 - 86 - 3.0=71, 1.8/3307=26...(11) HA LEU 69 - HA SER 100 poor 10 99 - 10 - 3313/3.0=2 HA VAL 63 - HA SER 100 lone 8 85 - 9 - 3316=2, 3313/3.0=1, ~9165=1 HB2 SER 103 - HA SER 100 lone 2 100 - 2 - HA GLU 122 - HA SER 100 lone 2 100 - 2 - HB3 SER 138 - HA SER 100 lone 1 68 - 2 - HB2 SER 138 - HA SER 100 lone 1 62 - 2 - HA MET 113 - HA SER 100 lone 1 68 - 1 - HA LYS 114 - HA SER 100 lone 1 77 - 1 - HA GLU 37 - HA SER 100 lone 1 68 - 1 - Peak 3311 from aliabs.peaks (4.30, 3.83, 62.85 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.99: * HA SER 100 + HB2 SER 100 OK 99 100 - 99 - 3.0=97, 3316/1.8=34...(13) HA ARG 89 - HB2 SER 100 lone 9 100 - 9 - 3316/1.8=2, 7178/4.1=1 HA PRO 118 - HB2 SER 100 lone 9 96 - 10 - 3316/1.8=2, 3.8/3977=1 HA ARG 140 - HB2 SER 100 lone 2 92 - 2 - HA THR 18 - HB2 SER 100 lone 1 62 - 1 - Peak 3312 from aliabs.peaks (3.83, 3.83, 62.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 100 + HB2 SER 100 OK 100 100 - 100 Peak 3313 from aliabs.peaks (4.01, 3.83, 62.85 ppm; 2.64 A): 1 out of 10 assignments used, quality = 1.00: * HB3 SER 100 + HB2 SER 100 OK 100 100 - 100 - 1.8=100 HA LEU 69 - HB2 SER 100 OK 15 99 - 16 - 3.9/8462=3, 4.1/8465=3...(6) HA VAL 63 - HB2 SER 100 poor 10 85 - 11 - 3317=3, 3.2/9165=2, 3308/3.0=1 HB2 SER 103 - HB2 SER 100 lone 3 100 - 3 - HA GLU 122 - HB2 SER 100 lone 3 100 - 3 - HA MET 113 - HB2 SER 100 lone 2 68 - 3 - HA LYS 114 - HB2 SER 100 lone 1 77 - 1 - HB3 SER 138 - HB2 SER 100 lone 1 68 - 2 - HB2 SER 138 - HB2 SER 100 lone 1 62 - 2 - HA GLU 37 - HB2 SER 100 lone 1 68 - 1 - Peak 3316 from aliabs.peaks (4.30, 4.01, 62.85 ppm; 2.63 A): 1 out of 10 assignments used, quality = 0.84: * HA SER 100 + HB3 SER 100 OK 84 100 - 84 - 3.0=67, 3307/1.8=25...(11) HA ARG 89 - HB3 SER 100 lone 6 100 - 6 - 3311/1.8=2, 7178/4.1=1 HA SER 100 - HA VAL 63 lone 5 57 - 9 - 3308=3, 3.0/3313=1, ~9165=1 HA PRO 118 - HB3 SER 100 lone 4 96 - 5 - 3311/1.8=2 HA THR 18 - HA VAL 63 lone 3 29 - 9 - 11273/3.6=3, ~10864=2 HA ARG 140 - HB3 SER 100 lone 2 92 - 2 - HA ARG 140 - HA VAL 63 lone 1 47 - 3 - 4.9/10125=1 HA THR 18 - HB3 SER 100 lone 0 62 - 1 - HA ARG 89 - HA VAL 63 lone 0 57 - 1 - HA PRO 118 - HA VAL 63 lone 0 51 - 0 - Peak 3317 from aliabs.peaks (3.83, 4.01, 62.85 ppm; 2.66 A): 1 out of 14 assignments used, quality = 1.00: * HB2 SER 100 + HB3 SER 100 OK 100 100 - 100 - 1.8=100 HA ALA 104 - HB3 SER 100 poor 7 68 - 11 - 2.1/9203=2, 3403=1...(4) HB2 SER 100 - HA VAL 63 poor 7 57 - 12 - 3313=4, 9165/3.2=2, 3.0/3308=1 HA GLN 133 - HB3 SER 100 lone 5 85 - 6 - 7179/4.1=1, 3307/3.0=1 HA LEU 66 - HB3 SER 100 lone 5 96 - 5 - HA ALA 104 - HA VAL 63 poor 3 32 - 11 - 2.1/8354=3, 10155/3.0=2...(5) HB2 SER 127 - HB3 SER 100 lone 3 77 - 4 - HA3 GLY 50 - HB3 SER 100 lone 2 85 - 2 - HA LEU 66 - HA VAL 63 lone 1 51 - 3 - HA GLN 133 - HA VAL 63 lone 1 43 - 3 - HB2 SER 127 - HA VAL 63 lone 1 37 - 3 - HA THR 110 - HB3 SER 100 lone 1 62 - 1 - HA THR 110 - HA VAL 63 lone 1 29 - 2 - HA3 GLY 50 - HA VAL 63 lone 0 43 - 0 - Peak 3318 from aliabs.peaks (4.01, 4.01, 62.85 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 100 + HB3 SER 100 OK 100 100 - 100 HA VAL 63 - HA VAL 63 OK 43 43 - 100 Peak 3321 from aliabs.peaks (4.21, 4.21, 60.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 101 + HA ILE 101 OK 100 100 - 100 HA PHE 45 + HA PHE 45 OK 87 87 - 100 Peak 3322 from aliabs.peaks (1.90, 4.21, 60.96 ppm; 3.08 A): 1 out of 20 assignments used, quality = 1.00: * HB ILE 101 + HA ILE 101 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 - HA ILE 101 OK 32 96 - 33 - 11352/3.0=7, ~11349=5...(12) HB ILE 101 - HA PHE 45 OK 32 92 - 35 - 3329=6, 2.1/3337=4...(19) HB2 MET 59 - HA ILE 101 OK 23 92 - 25 - 4.8/9851=5, 3362/4.1=2...(11) HB3 LYS 93 - HA ILE 101 OK 20 72 - 27 - 1.8/3023=3, 3035=3...(12) HB3 ARG 140 - HA ILE 101 OK 18 77 - 24 - 3338/3.2=2, 2.9/11215=2...(12) HB3 LEU 69 - HA ILE 101 OK 17 100 - 17 - 3.2/9933=2, 7188/3.0=1...(7) HB3 GLN 111 - HA ILE 101 OK 12 96 - 12 - ~11023=1, 3338/3.2=1 HB3 ARG 89 - HA ILE 101 OK 11 99 - 11 - 3338/3.2=1, 7188/3.0=1 HB3 LEU 69 - HA PHE 45 lone 8 92 - 9 - ~9880=3, 3.2/9933=3, 3.0/1020=1 HB3 LYS 93 - HA PHE 45 lone 6 61 - 10 - 1.8/3023=1, 3035=1 HB2 GLN 62 - HA ILE 101 lone 5 94 - 6 - 8342/4.1=1 QE MET 68 - HA ILE 101 lone 4 81 - 5 - HB2 MET 59 - HA PHE 45 lone 3 80 - 4 - HB3 LYS 24 - HA PHE 45 lone 2 85 - 2 - HB3 GLN 111 - HA PHE 45 lone 2 85 - 2 - HB3 ARG 140 - HA PHE 45 lone 1 65 - 2 - HB3 ARG 89 - HA PHE 45 lone 1 89 - 1 - QE MET 68 - HA PHE 45 lone 1 69 - 2 - HB2 GLN 62 - HA PHE 45 lone 0 83 - 1 - Peak 3323 from aliabs.peaks (0.89, 4.21, 60.96 ppm; 2.75 A): 2 out of 12 assignments used, quality = 0.97: * QG2 ILE 101 + HA ILE 101 OK 87 100 - 87 - 3.2=63, 3336/3.0=11...(34) QD1 ILE 101 + HA ILE 101 OK 79 100 - 79 - 4.1=29, 2.1/3324=11...(28) QG2 ILE 136 - HA ILE 101 OK 31 100 - 31 - 3331/3.0=3, 4.3/7756=2...(12) QD1 LEU 97 - HA ILE 101 OK 31 100 - 31 - 2.1/9122=5, 10134/3.6=3...(13) QG2 ILE 101 - HA PHE 45 OK 25 92 - 27 - 3337=5, 2.1/3329=3...(10) QG2 ILE 56 - HA ILE 101 OK 14 100 - 14 - 3337=3, 3331/3.0=1...(4) QD1 ILE 101 - HA PHE 45 OK 14 91 - 15 - 3361=2, 3.1/3337=2...(7) QG2 VAL 80 - HA ILE 101 lone 5 68 - 8 - ~8766=2, 7192/3.0=1 QG2 ILE 136 - HA PHE 45 lone 4 91 - 4 - 9679/4.9=1 QD1 LEU 97 - HA PHE 45 lone 3 90 - 3 - QG2 ILE 56 - HA PHE 45 lone 2 91 - 2 - QG2 VAL 80 - HA PHE 45 lone 0 57 - 1 - Peak 3324 from aliabs.peaks (1.23, 4.21, 60.96 ppm; 3.26 A): 2 out of 10 assignments used, quality = 0.96: * HG12 ILE 101 + HA ILE 101 OK 94 100 - 94 - 3.8=64, 3344/3.0=16...(26) HB3 LEU 87 + HA ILE 101 OK 32 99 - 33 - 3340/3.2=6, 3332/3.0=6...(11) HG12 ILE 58 - HA ILE 101 OK 27 89 - 31 - 10176/3.0=7, ~10135=6...(11) HD3 LYS 123 - HA ILE 101 OK 21 98 - 21 - 3356/3.8=4, 3332/3.0=4...(7) HG13 ILE 58 - HA ILE 101 OK 18 62 - 28 - ~10135=6, 10176/3.0=5...(11) HG12 ILE 101 - HA PHE 45 OK 17 92 - 19 - 3345=4, 3.0/3329=3...(6) HB3 LEU 87 - HA PHE 45 lone 3 89 - 3 - HD3 LYS 123 - HA PHE 45 lone 3 87 - 3 - HG12 ILE 58 - HA PHE 45 lone 1 77 - 1 - HG13 ILE 58 - HA PHE 45 lone 1 52 - 1 - Peak 3325 from aliabs.peaks (1.49, 4.21, 60.96 ppm; 3.50 A): 1 out of 10 assignments used, quality = 0.97: * HG13 ILE 101 + HA ILE 101 OK 97 100 - 97 - 3.8=79, 3352/3.0=20...(27) QB ALA 134 - HA ILE 101 OK 39 89 - 44 - 4576=6, 3333/3.0=6...(16) HG13 ILE 101 - HA PHE 45 OK 21 92 - 22 - 3353=4, 3.0/3329=4...(7) HG2 LYS 34 - HA ILE 101 OK 19 62 - 31 - 3341/3.2=5, 3333/3.0=5...(11) HD3 LYS 114 - HA ILE 101 OK 15 100 - 15 - 3333/3.0=3, 3341/3.2=3...(5) HB3 LEU 29 - HA ILE 101 OK 11 89 - 13 - 7191/3.0=4, 3333/3.0=2...(5) QB ALA 134 - HA PHE 45 lone 6 77 - 8 - HD3 LYS 114 - HA PHE 45 lone 2 92 - 2 - HG2 LYS 34 - HA PHE 45 lone 1 52 - 3 - HB3 LEU 29 - HA PHE 45 lone 1 77 - 1 - Peak 3326 from aliabs.peaks (0.89, 4.21, 60.96 ppm; 2.77 A): 2 out of 12 assignments used, quality = 0.98: QG2 ILE 101 + HA ILE 101 OK 88 100 - 88 - 3.2=65, 3336/3.0=11...(35) * QD1 ILE 101 + HA ILE 101 OK 80 100 - 80 - 4.1=30, 2.1/3324=11...(28) QD1 LEU 97 - HA ILE 101 OK 31 100 - 31 - 2.1/9122=5, 10134/3.6=3...(13) QG2 ILE 136 - HA ILE 101 OK 31 100 - 31 - 3331/3.0=3, 4.3/7756=3...(14) QG2 ILE 101 - HA PHE 45 OK 25 91 - 27 - 3337=5, 2.1/3329=3...(10) QG2 ILE 56 - HA ILE 101 OK 14 99 - 14 - 3337=3, 3331/3.0=1...(4) QD1 ILE 101 - HA PHE 45 OK 14 92 - 15 - 3361=3, 3.1/3337=2...(7) QG2 VAL 80 - HA ILE 101 lone 6 77 - 8 - ~8766=2, 7192/3.0=1 QG2 ILE 136 - HA PHE 45 lone 4 92 - 4 - 9679/4.9=1 QD1 LEU 97 - HA PHE 45 lone 3 92 - 3 - QG2 ILE 56 - HA PHE 45 lone 2 89 - 2 - QG2 VAL 80 - HA PHE 45 lone 0 65 - 1 - Peak 3329 from aliabs.peaks (4.21, 1.90, 37.21 ppm; 3.22 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 101 + HB ILE 101 OK 100 100 - 100 - 3.0=100 HA THR 102 + HB ILE 101 OK 56 100 - 56 - 3.2/10127=8, 3337/2.1=8...(23) HA ALA 134 + HB ILE 101 OK 50 100 - 50 - 2.1/3333=7, 3337/2.1=6...(24) HA PHE 45 - HB ILE 101 OK 36 98 - 37 - 3322=5, 3337/2.1=4...(20) HA LYS 93 - HB ILE 101 OK 25 85 - 29 - 3337/2.1=3, 3013=3...(10) HA PHE 67 - HB ILE 101 poor 9 85 - 11 - 5.0/1881=2, ~11232=2...(5) HA PHE 43 - HB ILE 101 lone 3 62 - 5 - 10829/10127=1 Peak 3330 from aliabs.peaks (1.90, 1.90, 37.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 101 + HB ILE 101 OK 100 100 - 100 Peak 3331 from aliabs.peaks (0.89, 1.90, 37.21 ppm; 2.61 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 101 + HB ILE 101 OK 100 100 - 100 - 2.1=100 QD1 ILE 101 + HB ILE 101 OK 83 100 - 83 - 3.2=53, 3360/3.9=7...(32) QG2 ILE 136 - HB ILE 101 OK 37 100 - 37 - 3347/3.0=3, 4613=2...(17) QD1 LEU 97 - HB ILE 101 OK 36 100 - 37 - 2.1/10108=5, 10109=3...(18) QG2 ILE 56 - HB ILE 101 OK 18 100 - 18 - 3338=3, 3341/3.0=2...(7) QG2 VAL 80 - HB ILE 101 lone 5 68 - 7 - Peak 3332 from aliabs.peaks (1.23, 1.90, 37.21 ppm; 3.34 A): 4 out of 5 assignments used, quality = 1.00: * HG12 ILE 101 + HB ILE 101 OK 100 100 - 100 - 3.0=100 HB3 LEU 87 + HB ILE 101 OK 53 99 - 53 - 3340/2.1=9, 3364/3.2=7...(22) HG12 ILE 58 + HB ILE 101 OK 48 89 - 54 - 10176=13, ~10135=10...(17) HD3 LYS 123 + HB ILE 101 OK 46 98 - 47 - 3356/3.0=6, 3346=6...(23) HG13 ILE 58 - HB ILE 101 OK 32 62 - 52 - ~10135=10, 10176=10...(17) Peak 3333 from aliabs.peaks (1.49, 1.90, 37.21 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 101 + HB ILE 101 OK 100 100 - 100 - 3.0=100 QB ALA 134 + HB ILE 101 OK 48 89 - 54 - 3341/2.1=7, 2.1/3329=6...(24) HG2 LYS 34 - HB ILE 101 OK 31 62 - 49 - 3341/2.1=7, 2.9/10534=6...(20) HD3 LYS 114 - HB ILE 101 OK 26 100 - 26 - 3341/2.1=4, 3349/3.0=3...(13) HB3 LEU 29 - HB ILE 101 OK 18 89 - 20 - 3341/2.1=3, 7191/3.9=2...(7) Peak 3334 from aliabs.peaks (0.89, 1.90, 37.21 ppm; 2.65 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 101 + HB ILE 101 OK 100 100 - 100 - 2.1=100 * QD1 ILE 101 + HB ILE 101 OK 85 100 - 85 - 3.2=55, 3360/3.9=7...(32) QG2 ILE 136 - HB ILE 101 OK 38 100 - 38 - 4613=3, 3347/3.0=3...(18) QD1 LEU 97 - HB ILE 101 OK 38 100 - 38 - 2.1/10108=6, 10109=3...(18) QG2 ILE 56 - HB ILE 101 OK 18 99 - 18 - 3338=3, 3341/3.0=2...(7) QG2 VAL 80 - HB ILE 101 lone 6 77 - 8 - Peak 3337 from aliabs.peaks (4.21, 0.89, 17.24 ppm; 2.56 A): 3 out of 14 assignments used, quality = 0.93: * HA ILE 101 + QG2 ILE 101 OK 81 100 - 81 - 3.2=51, 3.0/3336=9...(35) HA THR 102 + QG2 ILE 101 OK 42 100 - 42 - 3.0/3343=8, 3329/2.1=4...(19) HA ALA 134 + QG2 ILE 101 OK 35 100 - 35 - 2.1/3341=4, 3329/2.1=4...(14) HA PHE 45 - QG2 ILE 101 OK 21 98 - 22 - 3326=4, 3329/2.1=3...(9) HA LYS 93 - QG2 ILE 101 OK 13 85 - 15 - 3329/2.1=2, 3361/3.1=1...(5) HA ILE 101 - QG2 ILE 56 OK 12 99 - 12 - 3323=2, 3.0/3331=1, 3.8/3341=1 HA PHE 67 - QG2 ILE 101 lone 6 85 - 7 - 2.8/11232=1, 4.9/8436=1 HA ALA 134 - QG2 ILE 56 lone 3 99 - 3 - HA THR 102 - QG2 ILE 56 lone 3 99 - 3 - HA LYS 93 - QG2 ILE 56 lone 3 83 - 3 - 11040/3.2=1 HA PHE 43 - QG2 ILE 101 lone 2 62 - 3 - HA PHE 67 - QG2 ILE 56 lone 2 83 - 2 - HA PHE 43 - QG2 ILE 56 lone 1 60 - 2 - HA PHE 45 - QG2 ILE 56 lone 1 96 - 1 - Peak 3338 from aliabs.peaks (1.90, 0.89, 17.24 ppm; 2.50 A): 1 out of 20 assignments used, quality = 1.00: * HB ILE 101 + QG2 ILE 101 OK 100 100 - 100 - 2.1=100 HB3 LYS 24 - QG2 ILE 101 OK 26 96 - 27 - 3.0/10133=4, 11352/4.0=4...(9) HB2 MET 59 - QG2 ILE 101 OK 25 92 - 27 - 3.0/10140=3, 3.0/9186=3...(13) HB3 ARG 140 - QG2 ILE 101 OK 18 77 - 23 - 2.9/11575=3, 2.9/11015=2...(8) HB ILE 101 - QG2 ILE 56 OK 16 99 - 16 - 3331=3, 3.0/3341=2...(4) HB3 LEU 69 - QG2 ILE 101 OK 14 100 - 14 - HB3 LYS 93 - QG2 ILE 101 OK 13 72 - 17 - 3.0/3337=1, 3322/3.2=1 HB3 ARG 89 - QG2 ILE 101 OK 12 99 - 12 - 3.5/10143=2, 3.5/10143=1 HB3 GLN 111 - QG2 ILE 101 OK 11 96 - 11 - 1.8/1459=2 HB2 MET 59 - QG2 ILE 56 lone 9 89 - 10 - 1.8/11009=2, 8299=2...(4) HB3 GLN 111 - QG2 ILE 56 lone 8 94 - 9 - 1.8/1459=2, 3629/2.1=1 HB2 GLN 62 - QG2 ILE 101 lone 7 94 - 7 - 8342/3.1=1 HB3 LEU 69 - QG2 ILE 56 lone 6 99 - 6 - QE MET 68 - QG2 ILE 101 lone 5 81 - 6 - 4.6/8436=1 HB3 ARG 140 - QG2 ILE 56 lone 4 74 - 6 - 4.0/10604=2 HB3 ARG 89 - QG2 ILE 56 lone 4 97 - 4 - HB3 LYS 24 - QG2 ILE 56 lone 2 94 - 2 - HB2 GLN 62 - QG2 ILE 56 lone 2 92 - 2 - QE MET 68 - QG2 ILE 56 lone 2 79 - 2 - HB3 LYS 93 - QG2 ILE 56 lone 1 70 - 1 - Peak 3339 from aliabs.peaks (0.89, 0.89, 17.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 101 + QG2 ILE 101 OK 100 100 - 100 QG2 ILE 56 + QG2 ILE 56 OK 99 99 - 100 Peak 3340 from aliabs.peaks (1.23, 0.89, 17.24 ppm; 2.56 A): 4 out of 10 assignments used, quality = 0.94: * HG12 ILE 101 + QG2 ILE 101 OK 81 100 - 81 - 3.2=51, 1.8/3341=12...(32) HG12 ILE 58 + QG2 ILE 101 OK 35 89 - 40 - 2.1/10135=9, 1.8/10181=7...(13) HB3 LEU 87 + QG2 ILE 101 OK 34 99 - 35 - 3.0/10133=8, 3332/2.1=4...(11) HD3 LYS 123 + QG2 ILE 101 OK 28 98 - 29 - 3347=3, 3356/3.2=3...(11) HG13 ILE 58 - QG2 ILE 101 OK 24 62 - 38 - 2.1/10135=9, 1.8/10181=5...(13) HG12 ILE 101 - QG2 ILE 56 OK 15 99 - 15 - 1.8/3341=2, 3347=2...(4) HG12 ILE 58 - QG2 ILE 56 lone 5 86 - 6 - 2.1/10135=3, 9825/4.0=2 HD3 LYS 123 - QG2 ILE 56 lone 4 96 - 4 - HB3 LEU 87 - QG2 ILE 56 lone 3 97 - 3 - HG13 ILE 58 - QG2 ILE 56 lone 3 60 - 4 - 2.1/10135=3 Peak 3341 from aliabs.peaks (1.49, 0.89, 17.24 ppm; 2.79 A): 2 out of 10 assignments used, quality = 0.93: * HG13 ILE 101 + QG2 ILE 101 OK 90 100 - 90 - 3.2=67, 1.8/3340=17...(33) QB ALA 134 + QG2 ILE 101 OK 36 89 - 41 - 2.1/3337=5, 3333/2.1=5...(20) HG2 LYS 34 - QG2 ILE 101 OK 24 62 - 38 - 3333/2.1=4, 2.9/10128=4...(17) HG13 ILE 101 - QG2 ILE 56 OK 19 99 - 19 - 3355=3, 1.8/3340=2...(4) HD3 LYS 114 - QG2 ILE 101 OK 18 100 - 18 - 3333/2.1=3, 3365/3.1=2...(6) HB3 LEU 29 - QG2 ILE 101 OK 13 89 - 14 - 3333/2.1=2, 3365/3.1=2...(4) HG2 LYS 34 - QG2 ILE 56 lone 5 60 - 9 - 2.9/1459=2, 2.9/11009=1 QB ALA 134 - QG2 ILE 56 lone 5 86 - 5 - 4.0/10319=1 HB3 LEU 29 - QG2 ILE 56 lone 4 86 - 4 - ~8254=1 HD3 LYS 114 - QG2 ILE 56 lone 3 99 - 3 - Peak 3342 from aliabs.peaks (0.89, 0.89, 17.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 101 + QG2 ILE 101 OK 100 100 - 100 QG2 ILE 56 + QG2 ILE 56 OK 97 97 - 100 Reference assignment not found: QD1 ILE 101 - QG2 ILE 101 Peak 3345 from aliabs.peaks (4.21, 1.23, 27.13 ppm; 3.36 A): 3 out of 14 assignments used, quality = 0.99: * HA ILE 101 + HG12 ILE 101 OK 96 100 - 96 - 3.8=70, 3.0/3344=17...(26) HA THR 102 + HG12 ILE 101 OK 52 100 - 52 - 3.0/10173=8, 9189/2.1=8...(16) HA ALA 134 + HG12 ILE 101 OK 49 100 - 49 - 4569/1.8=8, 3361/2.1=7...(18) HA PHE 45 - HG12 ILE 101 OK 20 98 - 21 - 3324=5, 3329/3.0=4...(6) HA ILE 101 - HD3 LYS 123 OK 20 84 - 23 - 3324=5, 3.8/3356=4...(7) HA LYS 93 - HG12 ILE 101 OK 18 85 - 21 - 3361/2.1=3, 3329/3.0=3...(8) HA PHE 67 - HG12 ILE 101 lone 7 85 - 8 - ~11232=2, 3361/2.1=1 HA THR 102 - HD3 LYS 123 lone 6 84 - 7 - ~10335=2, 3.0/7199=1, ~10327=1 HA ALA 134 - HD3 LYS 123 lone 3 84 - 4 - HA PHE 45 - HD3 LYS 123 lone 3 80 - 3 - HA PHE 43 - HG12 ILE 101 lone 2 62 - 3 - HA LYS 93 - HD3 LYS 123 lone 2 66 - 3 - HA PHE 67 - HD3 LYS 123 lone 1 66 - 2 - HA PHE 43 - HD3 LYS 123 lone 0 46 - 1 - Peak 3346 from aliabs.peaks (1.90, 1.23, 27.13 ppm; 3.38 A): 1 out of 20 assignments used, quality = 1.00: * HB ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 - HG12 ILE 101 OK 44 96 - 46 - 11352/4.7=7, ~10177=6...(18) HB ILE 101 - HD3 LYS 123 OK 42 84 - 49 - 3332=8, 3.0/3356=6...(23) HB2 MET 59 - HG12 ILE 101 OK 39 92 - 42 - 3362/2.1=6, 3.0/10412=5...(18) HB3 ARG 140 - HG12 ILE 101 OK 24 77 - 31 - 3362/2.1=4, 3354/1.8=3...(13) HB3 LEU 69 - HG12 ILE 101 OK 21 100 - 21 - 3354/1.8=3, 3362/2.1=2...(8) HB3 LYS 93 - HG12 ILE 101 OK 18 72 - 24 - 3354/1.8=3, 3362/2.1=2...(12) HB3 GLN 111 - HG12 ILE 101 OK 17 96 - 18 - 1.8/10132=3, ~11023=2...(6) HB3 ARG 89 - HG12 ILE 101 OK 12 99 - 12 - 3362/2.1=2, 3338/3.2=2...(4) HB2 GLN 62 - HG12 ILE 101 OK 11 94 - 11 - 8342/2.1=3, ~10131=1...(4) HB2 MET 59 - HD3 LYS 123 lone 5 72 - 7 - 4.2/10567=2, 3.0/10412=1 QE MET 68 - HG12 ILE 101 lone 5 81 - 6 - 3362/2.1=1 HB3 LYS 24 - HD3 LYS 123 lone 5 78 - 6 - HB3 LEU 69 - HD3 LYS 123 lone 3 84 - 4 - ~9935=2 HB3 GLN 111 - HD3 LYS 123 lone 3 78 - 3 - HB3 LYS 93 - HD3 LYS 123 lone 2 54 - 4 - HB2 GLN 62 - HD3 LYS 123 lone 2 75 - 3 - HB3 ARG 89 - HD3 LYS 123 lone 1 81 - 1 - HB3 ARG 140 - HD3 LYS 123 lone 1 58 - 1 - QE MET 68 - HD3 LYS 123 lone 0 62 - 1 - Peak 3347 from aliabs.peaks (0.89, 1.23, 27.13 ppm; 2.74 A): 2 out of 12 assignments used, quality = 1.00: QD1 ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 2.1=100 * QG2 ILE 101 + HG12 ILE 101 OK 88 100 - 88 - 3.2=64, 3341/1.8=13...(33) QD1 LEU 97 - HG12 ILE 101 OK 37 100 - 37 - 4.6/9184=5, 3355/1.8=5...(16) QG2 ILE 136 - HG12 ILE 101 OK 35 100 - 35 - 3355/1.8=4, 4.3/10174=4...(17) QD1 ILE 101 - HD3 LYS 123 OK 35 84 - 41 - 3364=8, 2.1/3356=5...(20) QG2 ILE 101 - HD3 LYS 123 OK 30 84 - 35 - 3340=7, 2.1/3332=4...(15) QG2 ILE 56 - HG12 ILE 101 OK 19 100 - 19 - 3340=3, 3341/1.8=3...(5) QG2 ILE 136 - HD3 LYS 123 OK 13 84 - 15 - 9687/2.9=12 QG2 VAL 80 - HG12 ILE 101 lone 5 68 - 7 - QG2 ILE 56 - HD3 LYS 123 lone 4 84 - 5 - QD1 LEU 97 - HD3 LYS 123 lone 3 83 - 4 - 4.6/10138=1 QG2 VAL 80 - HD3 LYS 123 lone 2 50 - 4 - 8756/2.9=1 Peak 3348 from aliabs.peaks (1.23, 1.23, 27.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 101 + HG12 ILE 101 OK 100 100 - 100 HD3 LYS 123 + HD3 LYS 123 OK 80 80 - 100 Peak 3349 from aliabs.peaks (1.49, 1.23, 27.13 ppm; 2.69 A): 1 out of 10 assignments used, quality = 1.00: * HG13 ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 1.8=100 HG13 ILE 101 - HD3 LYS 123 OK 36 84 - 42 - 3356=9, 2.1/3364=5...(21) QB ALA 134 - HG12 ILE 101 OK 32 89 - 36 - 3365/2.1=5, 2.1/3345=4...(18) HG2 LYS 34 - HG12 ILE 101 OK 23 62 - 37 - 3365/2.1=5, ~9180=4...(15) HD3 LYS 114 - HG12 ILE 101 OK 22 100 - 21 - 3365/2.1=3, ~3794=3...(11) HB3 LEU 29 - HG12 ILE 101 OK 14 89 - 15 - 3365/2.1=2, ~350=2...(6) HG2 LYS 34 - HD3 LYS 123 lone 3 46 - 6 - ~9470=2, ~9470=2 HD3 LYS 114 - HD3 LYS 123 lone 2 84 - 2 - HB3 LEU 29 - HD3 LYS 123 lone 1 69 - 2 - QB ALA 134 - HD3 LYS 123 lone 1 69 - 1 - Peak 3350 from aliabs.peaks (0.89, 1.23, 27.13 ppm; 2.78 A): 2 out of 12 assignments used, quality = 1.00: * QD1 ILE 101 + HG12 ILE 101 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HG12 ILE 101 OK 89 100 - 89 - 3.2=66, 3341/1.8=13...(33) QD1 LEU 97 - HG12 ILE 101 OK 38 100 - 38 - 4.6/9184=6, 3355/1.8=5...(16) QG2 ILE 136 - HG12 ILE 101 OK 36 100 - 36 - 3355/1.8=4, 4.3/10174=4...(18) QD1 ILE 101 - HD3 LYS 123 OK 36 84 - 42 - 3364=8, 2.1/3356=6...(20) QG2 ILE 101 - HD3 LYS 123 OK 30 84 - 36 - 3340=7, 2.1/3332=4...(16) QG2 ILE 56 - HG12 ILE 101 OK 19 99 - 19 - 3340=3, 3341/1.8=3...(5) QG2 ILE 136 - HD3 LYS 123 OK 13 84 - 16 - 9687/2.9=12 QG2 VAL 80 - HG12 ILE 101 lone 6 77 - 7 - QG2 ILE 56 - HD3 LYS 123 lone 4 81 - 5 - QD1 LEU 97 - HD3 LYS 123 lone 3 84 - 4 - 4.6/10138=1 QG2 VAL 80 - HD3 LYS 123 lone 3 58 - 5 - 8756/2.9=1, 8756/4167=1 Peak 3353 from aliabs.peaks (4.21, 1.49, 27.13 ppm; 3.41 A): 3 out of 7 assignments used, quality = 0.99: * HA ILE 101 + HG13 ILE 101 OK 96 100 - 96 - 3.8=74, 3.0/3352=19...(27) HA ALA 134 + HG13 ILE 101 OK 58 100 - 58 - 4569=7, 3345/1.8=7...(24) HA THR 102 + HG13 ILE 101 OK 54 100 - 54 - 9189/2.1=8, 3345/1.8=7...(17) HA PHE 45 - HG13 ILE 101 OK 21 98 - 22 - 3325=4, 3329/3.0=4...(7) HA LYS 93 - HG13 ILE 101 OK 18 85 - 21 - 3345/1.8=3, 3361/2.1=3...(8) HA PHE 67 - HG13 ILE 101 lone 6 85 - 7 - ~11232=2, 3361/2.1=1 HA PHE 43 - HG13 ILE 101 lone 4 62 - 6 - 10829/10198=2 Peak 3354 from aliabs.peaks (1.90, 1.49, 27.13 ppm; 3.16 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 - HG13 ILE 101 OK 39 96 - 41 - 11352/4.7=6, ~10177=5...(15) HB2 MET 59 - HG13 ILE 101 OK 31 92 - 33 - 3362/2.1=5, ~9181=4...(14) HB3 ARG 140 - HG13 ILE 101 OK 21 77 - 27 - 3362/2.1=3, 3346/1.8=3...(11) HB3 LEU 69 - HG13 ILE 101 OK 18 100 - 18 - 3346/1.8=2, 3362/2.1=2...(7) HB3 LYS 93 - HG13 ILE 101 OK 16 72 - 22 - 3346/1.8=2, 3362/2.1=2...(8) HB3 GLN 111 - HG13 ILE 101 OK 15 96 - 15 - 3362/2.1=2, 3346/1.8=2...(5) HB3 ARG 89 - HG13 ILE 101 OK 10 99 - 11 - 3362/2.1=1, 3338/3.2=1 HB2 GLN 62 - HG13 ILE 101 lone 9 94 - 9 - 8342/2.1=2, ~10131=1 QE MET 68 - HG13 ILE 101 lone 5 81 - 6 - Peak 3355 from aliabs.peaks (0.89, 1.49, 27.13 ppm; 2.69 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 2.1=100 * QG2 ILE 101 + HG13 ILE 101 OK 86 100 - 86 - 3.2=60, 3340/1.8=16...(29) QD1 LEU 97 - HG13 ILE 101 OK 42 100 - 42 - 4.6/9171=6, 4.6/10183=5...(19) QG2 ILE 136 - HG13 ILE 101 OK 34 100 - 34 - 3347/1.8=4, 2.1/3354=3...(17) QG2 ILE 56 - HG13 ILE 101 OK 18 100 - 18 - 3341=4, 3340/1.8=2...(4) QG2 VAL 80 - HG13 ILE 101 lone 5 68 - 8 - Peak 3356 from aliabs.peaks (1.23, 1.49, 27.13 ppm; 2.65 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 1.8=100 HD3 LYS 123 - HG13 ILE 101 OK 40 98 - 41 - 3349=7, 3364/2.1=4...(21) HB3 LEU 87 - HG13 ILE 101 OK 38 99 - 38 - 3364/2.1=6, 3340/3.2=4...(19) HG12 ILE 58 - HG13 ILE 101 OK 27 89 - 30 - 10176/3.0=4, ~10179=4...(13) HG13 ILE 58 - HG13 ILE 101 OK 18 62 - 29 - ~10179=4, ~10135=4...(15) Peak 3357 from aliabs.peaks (1.49, 1.49, 27.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 101 + HG13 ILE 101 OK 100 100 - 100 Peak 3358 from aliabs.peaks (0.89, 1.49, 27.13 ppm; 2.70 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 101 + HG13 ILE 101 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HG13 ILE 101 OK 86 100 - 86 - 3.2=61, 3340/1.8=16...(29) QD1 LEU 97 - HG13 ILE 101 OK 42 100 - 42 - 4.6/9171=6, 4.6/10183=6...(19) QG2 ILE 136 - HG13 ILE 101 OK 34 100 - 34 - 3347/1.8=4, 2.1/3354=3...(17) QG2 ILE 56 - HG13 ILE 101 OK 18 99 - 18 - 3341=4, 3340/1.8=2...(4) QG2 VAL 80 - HG13 ILE 101 lone 6 77 - 8 - Peak 3361 from aliabs.peaks (4.21, 0.89, 13.44 ppm; 3.21 A): 3 out of 7 assignments used, quality = 0.98: * HA ILE 101 + QD1 ILE 101 OK 91 100 - 91 - 4.1=47, 3324/2.1=15...(29) HA THR 102 + QD1 ILE 101 OK 56 100 - 56 - 3.0/10172=8, 9189=8...(19) HA ALA 134 + QD1 ILE 101 OK 49 100 - 49 - 4569/2.1=7, 2.1/3365=7...(20) HA PHE 45 - QD1 ILE 101 OK 20 98 - 20 - 3337/3.1=3, 3329/3.2=3...(7) HA LYS 93 - QD1 ILE 101 OK 18 85 - 21 - 3345/2.1=3, 3329/3.2=2...(6) HA PHE 67 - QD1 ILE 101 poor 10 85 - 11 - 2.8/11232=3, 4.9/8436=2...(4) HA PHE 43 - QD1 ILE 101 lone 3 62 - 5 - Peak 3362 from aliabs.peaks (1.90, 0.89, 13.44 ppm; 2.97 A): 2 out of 10 assignments used, quality = 0.97: * HB ILE 101 + QD1 ILE 101 OK 95 100 - 95 - 3.2=78, 3.9/3360=9...(35) HB2 MET 59 + QD1 ILE 101 OK 40 92 - 44 - 3.0/9181=7, 3.0/9181=6...(18) HB3 LYS 24 - QD1 ILE 101 OK 38 96 - 40 - 3.0/10177=10...(15) HB3 ARG 140 - QD1 ILE 101 OK 24 77 - 31 - 2.9/11575=4, 2.9/11574=3...(15) HB3 LEU 69 - QD1 ILE 101 OK 17 100 - 17 - 3.0/9179=2, 3354/2.1=2...(4) HB3 LYS 93 - QD1 ILE 101 OK 15 72 - 21 - 3354/2.1=2, 3.0/3361=2...(6) HB3 GLN 111 - QD1 ILE 101 OK 15 96 - 16 - 1.8/11023=2, 3354/2.1=2...(6) HB3 ARG 89 - QD1 ILE 101 OK 12 99 - 12 - 3338/3.1=1, 3354/2.1=1 HB2 GLN 62 - QD1 ILE 101 OK 11 94 - 12 - 2.9/10131=2, 2.9/10131=1...(4) QE MET 68 - QD1 ILE 101 lone 7 81 - 8 - 4.6/8436=1 Peak 3363 from aliabs.peaks (0.89, 0.89, 13.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 101 + QD1 ILE 101 OK 100 100 - 100 Reference assignment not found: QG2 ILE 101 - QD1 ILE 101 Peak 3364 from aliabs.peaks (1.23, 0.89, 13.44 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 101 + QD1 ILE 101 OK 100 100 - 100 - 2.1=100 HB3 LEU 87 - QD1 ILE 101 OK 44 99 - 45 - 3.0/10129=9, 3356/2.1=6...(19) HD3 LYS 123 - QD1 ILE 101 OK 38 98 - 39 - 3356/2.1=5, 3347=5...(20) HG12 ILE 58 - QD1 ILE 101 OK 34 89 - 38 - 2.9/10179=9, 10176/3.2=4...(14) HG13 ILE 58 - QD1 ILE 101 OK 23 62 - 36 - 2.9/10179=9, ~10135=4...(15) Peak 3365 from aliabs.peaks (1.49, 0.89, 13.44 ppm; 2.80 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 101 + QD1 ILE 101 OK 100 100 - 100 - 2.1=100 QB ALA 134 - QD1 ILE 101 OK 37 89 - 42 - 2.1/3361=5, 3349/2.1=4...(19) HG2 LYS 34 - QD1 ILE 101 OK 26 62 - 42 - 2.9/9180=11, 1.8/10178=6...(15) HD3 LYS 114 - QD1 ILE 101 OK 23 100 - 23 - 3349/2.1=3, ~3794=2...(11) HB3 LEU 29 - QD1 ILE 101 OK 15 89 - 17 - 3349/2.1=2, 3341/3.1=2...(6) Peak 3366 from aliabs.peaks (0.89, 0.89, 13.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 101 + QD1 ILE 101 OK 100 100 - 100 Peak 3369 from aliabs.peaks (4.21, 4.21, 63.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 102 + HA THR 102 OK 100 100 - 100 Peak 3370 from aliabs.peaks (4.23, 4.21, 63.05 ppm; 2.50 A): 3 out of 5 assignments used, quality = 0.78: * HB THR 102 + HA THR 102 OK 71 100 - 71 - 3.0=57, 2.1/3371=15...(8) HA LYS 93 + HA THR 102 OK 15 85 - 17 - 2.9/7087=2, 3.0/3023=2...(7) HA LYS 85 + HA THR 102 OK 12 100 - 12 - 3374/3.0=1, 3380/3.2=1...(4) HA PHE 45 - HA THR 102 lone 4 62 - 7 - 2.8/6365=1 HA ARG 141 - HA THR 102 lone 3 98 - 3 - Peak 3371 from aliabs.peaks (1.27, 4.21, 63.05 ppm; 2.85 A): 2 out of 6 assignments used, quality = 0.87: * QG2 THR 102 + HA THR 102 OK 82 100 - 82 - 3.2=70, 2.1/3370=23...(8) HB3 LEU 97 + HA THR 102 OK 30 98 - 30 - 3376/3.0=5, 3.1/9122=4...(12) QG2 THR 99 - HA THR 102 lone 6 100 - 6 - 7204/3.0=1 HB2 LEU 132 - HA THR 102 lone 4 99 - 4 - HG3 LYS 61 - HA THR 102 lone 3 94 - 3 - HG2 LYS 61 - HA THR 102 lone 2 68 - 3 - Peak 3374 from aliabs.peaks (4.21, 4.23, 69.08 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.81: * HA THR 102 + HB THR 102 OK 71 100 - 71 - 3.0=57, 3371/2.1=15...(8) HA ILE 101 + HB THR 102 OK 25 100 - 25 - 3.6/7203=7, 3379/2.1=5...(9) HA LYS 93 + HB THR 102 OK 14 92 - 15 - 3379/2.1=3, 2.9/7085=2, ~10103=1 HA PHE 45 - HB THR 102 lone 6 100 - 6 - 3379/2.1=1, 3327/3.9=1 HA ALA 134 - HB THR 102 lone 3 100 - 3 - HA PHE 67 - HB THR 102 lone 0 77 - 0 - Peak 3375 from aliabs.peaks (4.23, 4.23, 69.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 102 + HB THR 102 OK 100 100 - 100 Peak 3376 from aliabs.peaks (1.27, 4.23, 69.08 ppm; 2.90 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 102 + HB THR 102 OK 100 100 - 100 - 2.1=100 HB3 LEU 97 - HB THR 102 OK 35 98 - 35 - 3371/3.0=5, 3.1/9122=4...(16) QG2 THR 99 - HB THR 102 lone 6 100 - 6 - 3371/3.0=1 HB2 LEU 132 - HB THR 102 lone 6 99 - 5 - HG3 LYS 61 - HB THR 102 lone 3 94 - 4 - HG2 LYS 61 - HB THR 102 lone 2 68 - 3 - Peak 3379 from aliabs.peaks (4.21, 1.27, 22.25 ppm; 4.00 A): 2 out of 6 assignments used, quality = 1.00: * HA THR 102 + QG2 THR 102 OK 100 100 - 100 - 3.2=100 HA ILE 101 + QG2 THR 102 OK 53 100 - 53 - 3374/2.1=10, 7196/4.0=10...(15) HA LYS 93 - QG2 THR 102 OK 29 92 - 31 - 2.9/10103=6, 3374/2.1=6...(13) HA PHE 45 - QG2 THR 102 OK 18 100 - 18 - 3327/4.0=3, 3374/2.1=2...(10) HA ALA 134 - QG2 THR 102 lone 9 100 - 9 - 7196/4.0=1, 3374/2.1=1 HA PHE 67 - QG2 THR 102 lone 1 77 - 2 - Peak 3380 from aliabs.peaks (4.23, 1.27, 22.25 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 102 + QG2 THR 102 OK 100 100 - 100 - 2.1=100 HA LYS 93 - QG2 THR 102 OK 28 85 - 33 - 2.9/10103=6, 3370/3.2=6...(13) HA LYS 85 - QG2 THR 102 OK 23 100 - 23 - 3370/3.2=5, 3374/2.1=4...(10) HA ARG 141 - QG2 THR 102 OK 10 98 - 10 - 7209/4.2=2, 3370/3.2=1 HA PHE 45 - QG2 THR 102 poor 9 62 - 15 - 3370/3.2=2, 7203/4.0=1...(11) Peak 3381 from aliabs.peaks (1.27, 1.27, 22.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 102 + QG2 THR 102 OK 100 100 - 100 Peak 3384 from aliabs.peaks (4.47, 4.47, 57.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 103 + HA SER 103 OK 100 100 - 100 Peak 3385 from aliabs.peaks (4.01, 4.47, 57.87 ppm; 3.04 A): 1 out of 10 assignments used, quality = 1.00: * HB2 SER 103 + HA SER 103 OK 100 100 - 100 - 3.0=100 HA VAL 63 - HA SER 103 OK 16 85 - 19 - 8364=13, 3395/3.0=2, 7218/3.6=1 HB3 SER 100 - HA SER 103 lone 3 100 - 3 - 7218/3.6=1 HA LEU 69 - HA SER 103 lone 3 99 - 3 - HB3 SER 138 - HA SER 103 lone 3 68 - 4 - 4.0/7777=1, 4.7/7789=1 HB2 SER 138 - HA SER 103 lone 3 62 - 4 - 4.0/7777=1, 4.7/7789=1 HA GLU 122 - HA SER 103 lone 2 100 - 2 - HA LYS 114 - HA SER 103 lone 1 77 - 2 - HA MET 113 - HA SER 103 lone 1 68 - 1 - HA GLU 37 - HA SER 103 lone 1 68 - 1 - Peak 3386 from aliabs.peaks (3.96, 4.47, 57.87 ppm; 3.05 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 103 + HA SER 103 OK 100 100 - 100 - 3.0=100 HA PHE 106 - HA SER 103 OK 39 92 - 42 - 3391/3.0=7, 3.0/10149=5...(18) HA LYS 48 - HA SER 103 lone 9 100 - 9 - 3.0/6430=3, 3391/3.0=1 HA3 GLY 94 - HA SER 103 lone 3 98 - 3 - HA ALA 60 - HA SER 103 lone 2 98 - 2 - HA3 GLY 143 - HA SER 103 lone 1 100 - 1 - HA LYS 86 - HA SER 103 lone 0 62 - 0 - Peak 3389 from aliabs.peaks (4.47, 4.01, 62.40 ppm; 3.00 A): 1 out of 5 assignments used, quality = 0.99: * HA SER 103 + HB2 SER 103 OK 99 100 - 99 - 3.0=98, 3394/1.8=27...(5) HA3 GLY 31 - HB2 SER 103 OK 16 99 - 17 - 3394/1.8=4, 406/4.1=3...(9) HA ASP 137 - HB2 SER 103 lone 8 100 - 8 - 3394/1.8=2, 7217/4.6=1 HA SER 44 - HB2 SER 103 lone 6 98 - 6 - 3394/1.8=2, 996/4.6=1 HA ASP 41 - HB2 SER 103 lone 4 100 - 4 - 3394/1.8=1 Peak 3390 from aliabs.peaks (4.01, 4.01, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 103 + HB2 SER 103 OK 100 100 - 100 Peak 3391 from aliabs.peaks (3.96, 4.01, 62.40 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 103 + HB2 SER 103 OK 100 100 - 100 - 1.8=100 HA PHE 106 - HB2 SER 103 OK 32 92 - 34 - 3.0/10147=6, 3.0/10148=5...(14) HA LYS 48 - HB2 SER 103 lone 6 100 - 6 - HA3 GLY 94 - HB2 SER 103 lone 2 98 - 2 - HA ALA 60 - HB2 SER 103 lone 1 98 - 1 - HA3 GLY 143 - HB2 SER 103 lone 1 100 - 1 - HA LYS 86 - HB2 SER 103 lone 0 62 - 0 - Peak 3394 from aliabs.peaks (4.47, 3.96, 62.40 ppm; 2.80 A): 2 out of 5 assignments used, quality = 0.88: * HA SER 103 + HB3 SER 103 OK 86 100 - 86 - 3.0=80, 3389/1.8=22...(4) HA3 GLY 31 + HB3 SER 103 OK 14 99 - 14 - 3389/1.8=4, 406/4.1=3...(8) HA ASP 137 - HB3 SER 103 lone 6 100 - 6 - 3389/1.8=2, 7217/4.6=1 HA SER 44 - HB3 SER 103 lone 6 98 - 6 - 4.9/10152=1, 3389/1.8=1 HA ASP 41 - HB3 SER 103 lone 4 100 - 4 - Peak 3395 from aliabs.peaks (4.01, 3.96, 62.40 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HB2 SER 103 + HB3 SER 103 OK 100 100 - 100 - 1.8=100 HA VAL 63 - HB3 SER 103 lone 8 85 - 9 - 8364/3.0=5 HB3 SER 100 - HB3 SER 103 lone 2 100 - 2 - HA LEU 69 - HB3 SER 103 lone 2 99 - 2 - HA GLU 122 - HB3 SER 103 lone 2 100 - 2 - HB3 SER 138 - HB3 SER 103 lone 1 68 - 1 - HB2 SER 138 - HB3 SER 103 lone 1 62 - 1 - HA LYS 114 - HB3 SER 103 lone 1 77 - 1 - HA MET 113 - HB3 SER 103 lone 1 68 - 1 - HA GLU 37 - HB3 SER 103 lone 0 68 - 1 - Peak 3396 from aliabs.peaks (3.96, 3.96, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 103 + HB3 SER 103 OK 100 100 - 100 Peak 3399 from aliabs.peaks (3.85, 3.85, 54.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 104 + HA ALA 104 OK 100 100 - 100 Peak 3400 from aliabs.peaks (1.29, 3.85, 54.97 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 104 + HA ALA 104 OK 100 100 - 100 - 2.1=100 HG3 LYS 24 - HA ALA 104 lone 7 81 - 9 - ~10884=2 HG LEU 79 - HA ALA 104 lone 1 68 - 2 - Peak 3403 from aliabs.peaks (4.03, 3.85, 54.97 ppm; 3.79 A): 3 out of 5 assignments used, quality = 0.71: * HB THR 107 + HA ALA 104 OK 47 100 - 47 - 3453=20, 4.1/3402=9...(11) HA VAL 63 + HA ALA 104 OK 27 96 - 28 - 8354/2.1=11, 3.0/10155=7...(5) HA LYS 123 + HA ALA 104 OK 25 100 - 25 - ~10190=13, 9203/2.1=6 HA GLU 81 - HA ALA 104 lone 7 100 - 7 - 9203/2.1=2, 4.8/8444=1 HA GLU 37 - HA ALA 104 lone 4 100 - 4 - 9203/2.1=2 Peak 3405 from aliabs.peaks (3.85, 1.29, 18.45 ppm; 2.75 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 104 + QB ALA 104 OK 100 100 - 100 - 2.1=100 HA GLN 133 - QB ALA 104 OK 15 99 - 15 - 3.6/10192=4, 7226/3.7=1 HB2 SER 127 - QB ALA 104 OK 12 100 - 12 - 10265/8760=2, ~4326=1...(5) HB2 SER 100 - QB ALA 104 OK 10 68 - 15 - 4.5/10193=4, 1.8/9203=3...(5) HA MET 68 - QB ALA 104 poor 9 68 - 13 - 3400=2, 7220/2.9=1...(4) HA LEU 66 - QB ALA 104 lone 4 92 - 5 - HD2 PRO 118 - QB ALA 104 lone 4 89 - 4 - HA LYS 36 - QB ALA 104 lone 1 68 - 2 - Peak 3406 from aliabs.peaks (1.29, 1.29, 18.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 104 + QB ALA 104 OK 100 100 - 100 Peak 3409 from aliabs.peaks (3.10, 3.10, 54.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 105 + HA ALA 105 OK 100 100 - 100 Peak 3410 from aliabs.peaks (1.13, 3.10, 54.99 ppm; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 105 + HA ALA 105 OK 100 100 - 100 - 2.1=100 HD2 LYS 123 - HA ALA 105 OK 26 72 - 35 - ~4168=5, ~10335=4...(14) Peak 3413 from aliabs.peaks (0.93, 3.10, 54.99 ppm; 5.53 A): 3 out of 5 assignments used, quality = 0.93: * HB2 LEU 108 + HA ALA 105 OK 86 100 - 86 - 1.8/3414=37, 3.2/9263=29...(11) QG1 VAL 63 + HA ALA 105 OK 34 100 - 34 - 9220/2.1=11, 10935=8...(8) HB2 LEU 64 + HA ALA 105 OK 25 85 - 30 - ~9224=7, 1.8/9223=6...(8) QD2 LEU 29 - HA ALA 105 OK 25 98 - 26 - 10834/3.6=7...(8) QG1 VAL 53 - HA ALA 105 OK 16 92 - 17 - 9220/2.1=6, 9225/3.6=3...(5) Peak 3414 from aliabs.peaks (1.19, 3.10, 54.99 ppm; 3.98 A): 3 out of 7 assignments used, quality = 0.76: * HB3 LEU 108 + HA ALA 105 OK 64 100 - 64 - 3.2/9263=18, 3.2/9260=13...(9) HB2 LEU 72 + HA ALA 105 OK 25 85 - 29 - 3.1/10166=6, 3.2/9954=4...(11) QD1 LEU 26 + HA ALA 105 OK 12 98 - 12 - ~9224=2, 3504/9263=1...(6) QD1 LEU 69 - HA ALA 105 poor 9 77 - 11 - 8473/9263=3, 8473/9219=1 HG13 ILE 56 - HA ALA 105 lone 8 92 - 9 - 3504/9263=1, 3.2/9185=1, ~9220=1 HG12 ILE 56 - HA ALA 105 lone 7 98 - 7 - 3.2/9185=1, ~9220=1, 3504/9263=1 QG2 THR 18 - HA ALA 105 lone 2 92 - 3 - Peak 3416 from aliabs.peaks (3.10, 1.13, 17.85 ppm; 2.60 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 105 + QB ALA 105 OK 100 100 - 100 - 2.1=100 HD2 ARG 109 - QB ALA 105 OK 24 92 - 26 - 3416=7, 1.8/9211=5...(7) HD2 ARG 145 - QB ALA 105 lone 6 81 - 7 - 3416=2, 1.8/3416=1 HD3 ARG 145 - QB ALA 105 lone 6 77 - 7 - 3416=2, 1.8/3416=1 HA TYR 119 - QB ALA 105 lone 6 100 - 6 - HB3 ASN 96 - QB ALA 105 lone 3 77 - 4 - 3416=1 Peak 3417 from aliabs.peaks (1.13, 1.13, 17.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 105 + QB ALA 105 OK 100 100 - 100 Peak 3420 from aliabs.peaks (3.95, 3.95, 60.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 106 + HA PHE 106 OK 100 100 - 100 Peak 3421 from aliabs.peaks (2.95, 3.95, 60.28 ppm; 3.77 A): 1 out of 10 assignments used, quality = 1.00: * HB2 PHE 106 + HA PHE 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 48 - HA PHE 106 OK 34 100 - 34 - 3.6/1173=4, 7239/3.0=4...(16) HE3 LYS 48 - HA PHE 106 OK 33 98 - 34 - 3.6/1173=4, 7239/3.0=4...(16) HE2 LYS 85 - HA PHE 106 OK 18 100 - 18 - 3440/3.0=2, 7239/3.0=2...(11) HE3 LYS 85 - HA PHE 106 OK 16 92 - 18 - 3440/3.0=2, 7239/3.0=2...(10) HB3 PHE 67 - HA PHE 106 OK 14 100 - 14 - 3440/3.0=2, 5640/3.7=2...(8) HE2 LYS 93 - HA PHE 106 OK 11 100 - 11 - 7239/3.0=1, 3440/3.0=1 HB2 TYR 115 - HA PHE 106 lone 8 100 - 8 - 3440/3.0=1 HE3 LYS 93 - HA PHE 106 poor 8 77 - 10 - 7239/3.0=1, 3440/3.0=1 HB2 TYR 119 - HA PHE 106 lone 3 62 - 4 - 5640/3.7=1 Peak 3422 from aliabs.peaks (3.12, 3.95, 60.28 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PHE 106 + HA PHE 106 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 - HA PHE 106 OK 39 85 - 45 - 3.6/3539=9, 3.0/11591=8...(15) HD3 ARG 145 - HA PHE 106 OK 31 96 - 32 - 3433/3.0=5, 5641/3.7=4...(10) HD2 ARG 145 - HA PHE 106 OK 30 94 - 32 - 3433/3.0=5, 5641/3.7=3...(10) HA VAL 80 - HA PHE 106 OK 17 89 - 19 - 3.6/3427=3, ~9961=3...(7) HB3 ASN 96 - HA PHE 106 lone 5 96 - 5 - 3.9/9087=1 Peak 3423 from aliabs.peaks (7.13, 3.95, 60.28 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 106 + HA PHE 106 OK 100 100 - 100 - 3.7=100 HZ PHE 106 + HA PHE 106 OK 58 100 - 58 - 4830/3.7=33, 7.1=21...(4) QD TYR 117 - HA PHE 106 OK 31 77 - 40 - 3442/3.0=11, 3434/3.0=11...(8) QE PHE 45 - HA PHE 106 lone 6 68 - 9 - 4645/5.6=3, 3442/3.0=2...(4) Peak 3428 from aliabs.peaks (1.39, 3.95, 60.28 ppm; 5.31 A): 3 out of 9 assignments used, quality = 0.88: * HB2 ARG 109 + HA PHE 106 OK 80 100 - 80 - 4.0/3427=22, 1.8/3429=22...(25) HB VAL 82 + HA PHE 106 OK 28 100 - 28 - 2.1/8825=13, 2478/3.0=4...(7) HG2 LYS 86 + HA PHE 106 OK 14 100 - 13 - 2704=2, 2.9/2682=1...(5) HG2 ARG 49 - HA PHE 106 poor 10 94 - 10 - 5.0/6454=2, 1.8/11130=1 HG2 LYS 36 - HA PHE 106 poor 9 72 - 12 - 1.8/11130=3, 2.9/3429=2 HB2 LEU 69 - HA PHE 106 lone 8 96 - 9 - 7292/3427=1, 3542/3429=1 HG LEU 132 - HA PHE 106 lone 7 77 - 9 - ~9581=2, ~9581=2 HG LEU 116 - HA PHE 106 lone 5 68 - 7 - 10720/3423=1 HB3 LEU 39 - HA PHE 106 lone 5 72 - 6 - Peak 3429 from aliabs.peaks (1.72, 3.95, 60.28 ppm; 5.12 A): 3 out of 8 assignments used, quality = 0.88: * HB3 ARG 109 + HA PHE 106 OK 80 100 - 80 - 3539=22, 4.0/3427=21...(24) HB3 GLU 81 + HA PHE 106 OK 24 98 - 24 - 4.0/3427=5, ~10219=4...(9) HB2 LYS 85 + HA PHE 106 OK 21 100 - 21 - 4.8/3421=2, 4.8/3421=2...(6) HD2 LYS 36 - HA PHE 106 poor 9 85 - 11 - 2.9/11130=2, 2.9/3428=2...(4) HD2 LYS 93 - HA PHE 106 poor 9 62 - 13 - 3.0/3421=2, 3.0/3421=1, ~7239=1 HB ILE 58 - HA PHE 106 lone 8 85 - 10 - ~9226=3, 10582/3.0=3 HG3 ARG 89 - HA PHE 106 lone 5 100 - 5 - 3533/3428=1 HB3 ARG 144 - HA PHE 106 lone 5 92 - 5 - 3.0/11130=1 Peak 3431 from aliabs.peaks (3.95, 2.95, 38.76 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HA PHE 106 + HB2 PHE 106 OK 100 100 - 100 - 3.0=100 HB3 SER 103 + HB2 PHE 106 OK 61 92 - 66 - 10145/1.8=17, ~10147=13...(15) HA LYS 48 - HB2 PHE 106 OK 14 89 - 15 - 3439/1.8=2, 7251/4.6=2...(7) HA LEU 29 - HB2 PHE 106 lone 8 89 - 9 - 10838/4.0=2, 3439/1.8=1 HA3 GLY 94 - HB2 PHE 106 lone 6 100 - 6 - 3439/1.8=1 HA ALA 60 - HB2 PHE 106 lone 5 100 - 5 - 3439/1.8=1 HD3 PRO 129 - HB2 PHE 106 lone 4 92 - 4 - HA LYS 86 - HB2 PHE 106 lone 2 94 - 3 - HA3 GLY 143 - HB2 PHE 106 lone 2 94 - 2 - Peak 3432 from aliabs.peaks (2.95, 2.95, 38.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 106 + HB2 PHE 106 OK 100 100 - 100 Peak 3433 from aliabs.peaks (3.12, 2.95, 38.76 ppm; 3.07 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PHE 106 + HB2 PHE 106 OK 100 100 - 100 - 1.8=100 HD3 ARG 145 - HB2 PHE 106 OK 29 96 - 30 - ~10385=5, 5641/2.5=3...(10) HD2 ARG 145 - HB2 PHE 106 OK 28 94 - 30 - ~10385=5, 5641/2.5=3...(10) HD2 ARG 109 - HB2 PHE 106 OK 23 85 - 27 - ~10732=4, 3422/3.0=3...(13) HA VAL 80 - HB2 PHE 106 OK 13 89 - 14 - ~9955=2, 4.9/10219=2...(5) HB3 ASN 96 - HB2 PHE 106 lone 3 96 - 3 - Peak 3434 from aliabs.peaks (7.13, 2.95, 38.76 ppm; 3.54 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 106 + HB2 PHE 106 OK 100 100 - 100 - 2.5=100 HZ PHE 106 + HB2 PHE 106 OK 59 100 - 60 - 4830/2.5=35, 5.8=23...(5) QD TYR 117 - HB2 PHE 106 OK 33 77 - 43 - 3442/1.8=10, 3423/3.0=6...(13) QE PHE 45 - HB2 PHE 106 OK 12 68 - 17 - ~5590=3, 4645/4.4=3...(8) Peak 3439 from aliabs.peaks (3.95, 3.12, 38.76 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HA PHE 106 + HB3 PHE 106 OK 100 100 - 100 - 3.0=100 HB3 SER 103 + HB3 PHE 106 OK 61 92 - 67 - 10145=18, 1.8/10147=18...(14) HA LYS 48 - HB3 PHE 106 OK 14 89 - 16 - 3431/1.8=2, 7251/4.6=2...(6) HA LEU 29 - HB3 PHE 106 lone 7 89 - 8 - 10838/4.0=2, 3431/1.8=1 HA3 GLY 94 - HB3 PHE 106 lone 6 100 - 6 - 3431/1.8=1 HA ALA 60 - HB3 PHE 106 lone 6 100 - 6 - HD3 PRO 129 - HB3 PHE 106 lone 4 92 - 5 - HA LYS 86 - HB3 PHE 106 lone 3 94 - 3 - HA3 GLY 143 - HB3 PHE 106 lone 2 94 - 2 - Peak 3440 from aliabs.peaks (2.95, 3.12, 38.76 ppm; 3.10 A): 1 out of 10 assignments used, quality = 1.00: * HB2 PHE 106 + HB3 PHE 106 OK 100 100 - 100 - 1.8=100 HE2 LYS 48 - HB3 PHE 106 OK 19 100 - 20 - 3421/3.0=3, 7239/4.0=2...(7) HE3 LYS 48 - HB3 PHE 106 OK 19 98 - 19 - 3421/3.0=3, 7239/4.0=2...(8) HE2 LYS 85 - HB3 PHE 106 OK 12 100 - 11 - 3421/3.0=1 HB3 PHE 67 - HB3 PHE 106 OK 11 100 - 11 - 5640/2.5=1, ~1936=1...(4) HE3 LYS 85 - HB3 PHE 106 OK 11 92 - 11 - 3421/3.0=1 HE2 LYS 93 - HB3 PHE 106 lone 7 100 - 7 - HB2 TYR 115 - HB3 PHE 106 lone 6 100 - 6 - HE3 LYS 93 - HB3 PHE 106 lone 6 77 - 7 - HB2 TYR 119 - HB3 PHE 106 lone 4 62 - 7 - ~9428=2, ~9428=2 Peak 3441 from aliabs.peaks (3.12, 3.12, 38.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 106 + HB3 PHE 106 OK 100 100 - 100 Peak 3442 from aliabs.peaks (7.13, 3.12, 38.76 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 106 + HB3 PHE 106 OK 100 100 - 100 - 2.5=100 HZ PHE 106 + HB3 PHE 106 OK 61 100 - 61 - 4830/2.5=36, 5.8=24...(5) QD TYR 117 - HB3 PHE 106 OK 35 77 - 45 - 3434/1.8=11, 3423/3.0=6...(13) QE PHE 45 - HB3 PHE 106 OK 12 68 - 18 - ~5590=3, 4645/4.4=3...(7) Peak 3447 from aliabs.peaks (3.71, 3.71, 66.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 107 + HA THR 107 OK 100 100 - 100 Peak 3448 from aliabs.peaks (4.03, 3.71, 66.06 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 107 + HA THR 107 OK 100 100 - 100 - 3.0=100 HA LYS 123 - HA THR 107 OK 40 100 - 40 - 4101/3.2=8, 4.7/3449=6...(14) HA VAL 63 - HA THR 107 OK 31 96 - 32 - 3461/3.2=4, 3.0/9250=3...(17) HA GLU 81 - HA THR 107 lone 8 100 - 8 - 7258/3.0=2, 3461/3.2=1 HA GLU 37 - HA THR 107 lone 8 100 - 8 - 3461/3.2=2 Peak 3449 from aliabs.peaks (1.22, 3.71, 66.06 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 107 + HA THR 107 OK 100 100 - 100 - 3.2=100 HD3 LYS 123 - HA THR 107 OK 42 81 - 52 - 3457/3.0=9, 7259/3.0=5...(25) HG13 ILE 56 - HA THR 107 poor 7 62 - 12 - 9286/3452=3, 3.0/9250=1 Peak 3452 from aliabs.peaks (4.11, 3.71, 66.06 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.74: * HB THR 110 + HA THR 107 OK 74 100 - 74 - 3593=39, 2.1/9241=27...(7) HA PRO 52 - HA THR 107 lone 4 99 - 5 - 3601/9241=2, 7314/3451=1 HA THR 99 - HA THR 107 lone 3 98 - 3 - ~10118=1 HD3 PRO 33 - HA THR 107 lone 2 72 - 2 - Peak 3453 from aliabs.peaks (3.85, 4.03, 68.28 ppm; 3.60 A): 4 out of 8 assignments used, quality = 0.68: * HA ALA 104 + HB THR 107 OK 44 100 - 44 - 3403=18, 3402/4.1=8...(10) HB2 SER 100 + HB THR 107 OK 23 68 - 35 - ~10473=9, ~10352=5...(11) HA GLN 133 + HB THR 107 OK 16 99 - 16 - 7247/4.1=3, 11631/2.1=3...(5) HD2 PRO 118 + HB THR 107 OK 11 89 - 12 - 4.6/9236=4, 4.8/9387=2...(6) HA LEU 66 - HB THR 107 lone 5 92 - 5 - 11631/2.1=2 HB2 SER 127 - HB THR 107 lone 5 100 - 5 - HA MET 68 - HB THR 107 lone 5 68 - 7 - 3403=1, 7247/4.1=1 HA LYS 36 - HB THR 107 lone 3 68 - 4 - 3.6/6226=2 Peak 3455 from aliabs.peaks (3.71, 4.03, 68.28 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 107 + HB THR 107 OK 100 100 - 100 - 3.0=100 HA ILE 136 - HB THR 107 OK 39 99 - 40 - 3460/2.1=9, 3.2/9243=6...(12) HA ILE 91 - HB THR 107 OK 27 100 - 27 - 3460/2.1=5, 8964=3...(13) HB THR 74 - HB THR 107 OK 10 100 - 10 - 3460/2.1=2, 7271/4.7=2 Peak 3456 from aliabs.peaks (4.03, 4.03, 68.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 107 + HB THR 107 OK 100 100 - 100 Peak 3457 from aliabs.peaks (1.22, 4.03, 68.28 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 107 + HB THR 107 OK 100 100 - 100 - 2.1=100 HD3 LYS 123 - HB THR 107 OK 44 81 - 55 - 1.8/4152=9, 4163=8...(22) HG13 ILE 56 - HB THR 107 lone 6 62 - 9 - 3.2/9243=2, ~9245=1...(4) Peak 3460 from aliabs.peaks (3.71, 1.22, 21.95 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 107 + QG2 THR 107 OK 100 100 - 100 - 3.2=100 HA ILE 136 - QG2 THR 107 OK 33 99 - 34 - 3.2/9245=7, 3455/2.1=6...(13) HA ILE 91 - QG2 THR 107 OK 19 100 - 19 - 3455/2.1=4, 3.0/9253=3...(5) HB THR 74 - QG2 THR 107 lone 9 100 - 9 - 3455/2.1=1, 7271/4.4=1 Peak 3461 from aliabs.peaks (4.03, 1.22, 21.95 ppm; 2.98 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 107 + QG2 THR 107 OK 100 100 - 100 - 2.1=100 HA LYS 123 - QG2 THR 107 OK 38 100 - 38 - 4101=8, 3.0/4113=4...(17) HA VAL 63 - QG2 THR 107 OK 20 96 - 21 - 3.0/9251=3, 3448/3.2=3...(10) HA GLU 37 - QG2 THR 107 lone 7 100 - 7 - 3.8/9253=2 HA GLU 81 - QG2 THR 107 lone 7 100 - 7 - Peak 3462 from aliabs.peaks (1.22, 1.22, 21.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 107 + QG2 THR 107 OK 100 100 - 100 Peak 3465 from aliabs.peaks (3.73, 3.73, 57.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 108 + HA LEU 108 OK 100 100 - 100 Peak 3466 from aliabs.peaks (0.93, 3.73, 57.74 ppm; 4.23 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 108 + HA LEU 108 OK 100 100 - 100 - 3.0=100 HB2 LEU 64 + HA LEU 108 OK 57 85 - 67 - 3.2/11018=14, 3487/3.0=8...(24) QG1 VAL 63 + HA LEU 108 OK 50 100 - 51 - 3487/3.0=7, 2.1/3473=6...(19) QD2 LEU 29 - HA LEU 108 OK 28 98 - 28 - 3487/3.0=3, 10840/3472=3...(13) QG1 VAL 53 - HA LEU 108 OK 23 92 - 24 - 10631/3.6=6, 2.1/10220=4...(10) Peak 3467 from aliabs.peaks (1.19, 3.73, 57.74 ppm; 4.16 A): 6 out of 7 assignments used, quality = 1.00: * HB3 LEU 108 + HA LEU 108 OK 100 100 - 100 - 3.0=100 HB2 LEU 72 + HA LEU 108 OK 56 85 - 65 - 3.1/3510=11, 8536/3.0=8...(27) QD1 LEU 26 + HA LEU 108 OK 55 98 - 57 - 10906/3.0=12, ~10569=5...(19) HG12 ILE 56 + HA LEU 108 OK 55 98 - 56 - 2.1/10223=17, 3479/3.0=5...(25) HG13 ILE 56 + HA LEU 108 OK 54 92 - 59 - 2.1/10223=17, 3479/3.0=6...(24) QD1 LEU 69 + HA LEU 108 OK 50 77 - 64 - 2.1/10224=28...(15) QG2 THR 18 - HA LEU 108 OK 13 92 - 14 - 10856=3, 10865/10220=1, ~10853=1 Peak 3468 from aliabs.peaks (1.61, 3.73, 57.74 ppm; 5.25 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 108 + HA LEU 108 OK 100 100 - 100 - 3.7=100 HG3 LYS 48 + HA LEU 108 OK 46 94 - 49 - 1183/2.8=11, 4.9/3464=10...(13) HG3 ARG 49 - HA LEU 108 OK 43 94 - 46 - 3494=9, 3498/4.0=7...(9) HB2 LEU 97 - HA LEU 108 OK 38 100 - 38 - 3.1/11018=14...(11) HG2 ARG 144 - HA LEU 108 OK 24 98 - 25 - 3480/3.0=3, 3489/3.0=3...(11) HB2 LEU 79 - HA LEU 108 OK 24 77 - 31 - ~10546=6, 3.1/11017=5...(10) HG3 ARG 144 - HA LEU 108 OK 21 89 - 24 - 3480/3.0=3, 3489/3.0=3...(11) HD2 LYS 61 - HA LEU 108 OK 15 81 - 19 - 1705/4.9=3, 7288/3.6=3...(6) HD3 LYS 61 - HA LEU 108 OK 14 77 - 18 - 1716/4.9=3, 7288/3.6=3...(6) HG2 ARG 141 - HA LEU 108 OK 14 100 - 14 - 3489/3.0=2, 3513/3.8=2...(7) HB2 LEU 87 - HA LEU 108 OK 13 72 - 18 - 3505/4.0=3, 3480/3.0=2...(7) Peak 3469 from aliabs.peaks (0.76, 3.73, 57.74 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 108 + HA LEU 108 OK 95 100 - 95 - 4.0=64, 7275/2.8=24...(20) QD1 LEU 108 + HA LEU 108 OK 92 96 - 96 - 3.8=74, 2.1/3502=35...(17) QD1 LEU 72 - HA LEU 108 OK 43 81 - 53 - 3510=14, 3491/3.0=5...(20) QG2 VAL 73 - HA LEU 108 OK 24 68 - 36 - 2.1/10220=8, 3482/3.0=4...(12) Peak 3470 from aliabs.peaks (0.76, 3.73, 57.74 ppm; 3.43 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 108 + HA LEU 108 OK 96 100 - 96 - 3.8=74, 2.1/3502=35...(17) QD2 LEU 108 + HA LEU 108 OK 91 96 - 94 - 4.0=64, 7275/2.8=23...(20) QD1 LEU 72 + HA LEU 108 OK 53 98 - 54 - 3510=15, 3511/3.0=5...(21) QG2 VAL 73 - HA LEU 108 OK 35 92 - 38 - 2.1/10220=8, 3482/3.0=4...(13) QD1 ILE 136 - HA LEU 108 OK 22 81 - 27 - 7276/2.8=3, 7290/3.6=3...(11) Peak 3473 from aliabs.peaks (1.99, 3.73, 57.74 ppm; 5.81 A): 4 out of 10 assignments used, quality = 0.98: * HB2 GLN 111 + HA LEU 108 OK 79 100 - 79 - 3616=36, 3.9/3472=33...(11) HB ILE 56 + HA LEU 108 OK 69 94 - 74 - 3.2/10223=27, 3.0/3467=8...(23) HB VAL 63 + HA LEU 108 OK 51 85 - 60 - 2.1/3466=10, 2.1/3466=9...(14) QE MET 59 + HA LEU 108 OK 45 68 - 67 - 10408/4.0=25, 10403=17...(11) QE MET 11 - HA LEU 108 OK 39 100 - 39 - 10592=26, 10598/3.7=4...(6) QE MET 113 - HA LEU 108 OK 29 85 - 34 - 9331/4.0=6, 9333/10224=6...(9) HG3 PRO 52 - HA LEU 108 OK 21 96 - 22 - 3616=7, 9288/10177=4...(5) HB3 ARG 124 - HA LEU 108 OK 18 100 - 18 - 9483/10223=2...(7) HB2 GLU 142 - HA LEU 108 poor 9 81 - 11 - 10232/3.8=3, 10170/4.0=1 HB3 GLU 90 - HA LEU 108 lone 6 85 - 8 - ~10972=3 Peak 3474 from aliabs.peaks (1.90, 3.73, 57.74 ppm; 6.80 A): 2 out of 10 assignments used, quality = 0.96: * HB3 GLN 111 + HA LEU 108 OK 85 100 - 85 - 3626=42, 3.9/3472=39...(10) HB3 LEU 69 + HA LEU 108 OK 76 94 - 80 - 3.2/10224=40, ~9894=16...(18) HB2 MET 59 - HA LEU 108 OK 25 68 - 37 - 4.2/10403=31...(3) HB3 LYS 24 - HA LEU 108 OK 22 100 - 22 - 11342/3.6=14...(3) HB ILE 101 - HA LEU 108 OK 18 96 - 19 - ~7270=4, ~1019=3...(6) HB3 ARG 141 - HA LEU 108 OK 13 85 - 15 - 10131/11018=2...(7) HB3 ARG 140 - HA LEU 108 lone 9 96 - 10 - 7329/3472=2, 3620/3616=1 HB3 LYS 93 - HA LEU 108 lone 9 94 - 9 - 7329/3472=1 HB2 GLN 62 - HA LEU 108 lone 9 100 - 8 - 8342/3466=1, 8347/9582=1 HB3 ARG 89 - HA LEU 108 lone 8 100 - 8 - 2047/10224=2 Peak 3477 from aliabs.peaks (3.73, 0.93, 41.53 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.0=100 HA2 GLY 15 - HB2 LEU 108 OK 10 94 - 11 - 3494/3.0=3, 3486/1.8=2...(4) QA GLY 2 - HB2 LEU 108 lone 1 68 - 2 - Peak 3478 from aliabs.peaks (0.93, 0.93, 41.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 108 + HB2 LEU 108 OK 100 100 - 100 Peak 3479 from aliabs.peaks (1.19, 0.93, 41.53 ppm; 3.57 A): 6 out of 7 assignments used, quality = 1.00: * HB3 LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 1.8=100 HB2 LEU 72 + HB2 LEU 108 OK 59 85 - 69 - 8536=7, 3.1/3511=5...(41) QD1 LEU 26 + HB2 LEU 108 OK 57 98 - 59 - 10906=14, 2.1/10569=7...(18) HG12 ILE 56 + HB2 LEU 108 OK 54 98 - 55 - ~10223=7, 3504/3.2=4...(30) HG13 ILE 56 + HB2 LEU 108 OK 53 92 - 58 - ~10223=7, 3504/3.2=5...(33) QD1 LEU 69 + HB2 LEU 108 OK 48 77 - 62 - ~8477=14, 9894=11...(17) QG2 THR 18 - HB2 LEU 108 OK 10 92 - 11 - 10856/3.0=3, ~10853=1 Peak 3480 from aliabs.peaks (1.61, 0.93, 41.53 ppm; 4.35 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.0=100 HG3 ARG 49 + HB2 LEU 108 OK 48 94 - 51 - 3498/3.2=7, 3489/1.8=6...(27) HG3 LYS 48 - HB2 LEU 108 OK 29 94 - 30 - 1183/3.6=8, 4.9/3476=7...(9) HB2 LEU 97 - HB2 LEU 108 OK 28 100 - 28 - ~11018=5, 3489/1.8=4...(9) HG2 ARG 144 - HB2 LEU 108 OK 25 98 - 25 - 3489/1.8=3, 3505/3.2=3...(13) HG3 ARG 144 - HB2 LEU 108 OK 23 89 - 25 - 3489/1.8=3, 3505/3.2=2...(13) HB2 LEU 79 - HB2 LEU 108 OK 22 77 - 28 - 3.0/10546=5, 7288/4.4=3...(13) HB2 LEU 87 - HB2 LEU 108 OK 17 72 - 23 - 3505/3.2=3, ~10231=2...(10) HG2 ARG 141 - HB2 LEU 108 OK 12 100 - 12 - 3489/1.8=2, 3513/3.2=1 HD2 LYS 61 - HB2 LEU 108 OK 11 81 - 13 - 7288/4.4=2, 3489/1.8=1...(4) HD3 LYS 61 - HB2 LEU 108 OK 10 77 - 13 - 7288/4.4=2, 3489/1.8=1 Peak 3481 from aliabs.peaks (0.76, 0.93, 41.53 ppm; 3.70 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.2=100 QD1 LEU 108 + HB2 LEU 108 OK 96 96 - 100 - 3.2=100 QD1 LEU 72 + HB2 LEU 108 OK 58 81 - 71 - 3510/3.0=9, 3491/1.8=8...(36) QG2 VAL 73 - HB2 LEU 108 OK 33 68 - 48 - ~10220=6, 3491/1.8=5...(20) Peak 3482 from aliabs.peaks (0.76, 0.93, 41.53 ppm; 3.70 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 108 + HB2 LEU 108 OK 100 100 - 100 - 3.2=100 QD2 LEU 108 + HB2 LEU 108 OK 96 96 - 100 - 3.2=100 QD1 LEU 72 + HB2 LEU 108 OK 70 98 - 72 - 3510/3.0=10, 3511=8...(37) QG2 VAL 73 + HB2 LEU 108 OK 49 92 - 53 - ~10220=6, 3491/1.8=6...(22) QD1 ILE 136 - HB2 LEU 108 OK 27 81 - 33 - 3491/1.8=4, 7276/3.6=3...(13) Peak 3486 from aliabs.peaks (3.73, 1.19, 41.53 ppm; 6.10 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.0=100 HA2 GLY 15 - HB3 LEU 108 OK 15 94 - 16 - 3477/1.8=5, 3494/3.0=4...(5) QA GLY 2 - HB3 LEU 108 lone 3 68 - 4 - Peak 3487 from aliabs.peaks (0.93, 1.19, 41.53 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 1.8=100 HB2 LEU 64 + HB3 LEU 108 OK 63 85 - 74 - 3503/3.2=8, 1.8/3489=6...(34) QG1 VAL 63 + HB3 LEU 108 OK 54 100 - 54 - 3503/3.2=7, 1801/1.8=6...(22) QD2 LEU 29 - HB3 LEU 108 OK 28 98 - 28 - 3503/3.2=4, 3466/3.0=3...(12) QG1 VAL 53 - HB3 LEU 108 OK 22 92 - 24 - 10631/4.4=5, 3503/3.2=3...(9) Peak 3488 from aliabs.peaks (1.19, 1.19, 41.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 108 + HB3 LEU 108 OK 100 100 - 100 Peak 3489 from aliabs.peaks (1.61, 1.19, 41.53 ppm; 4.36 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.0=100 HG3 ARG 49 + HB3 LEU 108 OK 49 94 - 52 - 3498/3.2=7, 3480/1.8=6...(27) HB2 LEU 97 - HB3 LEU 108 OK 30 100 - 30 - ~11018=5, 3480/1.8=3...(10) HG3 LYS 48 - HB3 LEU 108 OK 29 94 - 31 - 1183/3.6=8, 4.9/3485=7...(9) HG2 ARG 144 - HB3 LEU 108 OK 25 98 - 26 - 3480/1.8=3, 3505/3.2=3...(13) HG3 ARG 144 - HB3 LEU 108 OK 23 89 - 25 - 3480/1.8=3, 3505/3.2=2...(13) HB2 LEU 79 - HB3 LEU 108 OK 22 77 - 28 - ~10546=5, 3.0/10545=3...(13) HB2 LEU 87 - HB3 LEU 108 OK 16 72 - 22 - 8880/8800=3, 3505/3.2=3...(9) HG2 ARG 141 - HB3 LEU 108 OK 13 100 - 12 - 3480/1.8=1, 3513/3.2=1 HD2 LYS 61 - HB3 LEU 108 OK 10 81 - 12 - 7288/4.4=2, 3480/1.8=1 HD3 LYS 61 - HB3 LEU 108 poor 10 77 - 12 - 7288/4.4=2, 3480/1.8=1 Peak 3490 from aliabs.peaks (0.76, 1.19, 41.53 ppm; 3.69 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.2=100 QD1 LEU 108 + HB3 LEU 108 OK 96 96 - 100 - 3.2=100 QD1 LEU 72 + HB3 LEU 108 OK 57 81 - 70 - 3510/3.0=9, 3482/1.8=8...(38) QG2 VAL 73 - HB3 LEU 108 OK 29 68 - 43 - ~10220=6, 3482/1.8=6...(15) Peak 3491 from aliabs.peaks (0.76, 1.19, 41.53 ppm; 3.69 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 108 + HB3 LEU 108 OK 100 100 - 100 - 3.2=100 QD2 LEU 108 + HB3 LEU 108 OK 96 96 - 100 - 3.2=100 QD1 LEU 72 + HB3 LEU 108 OK 69 98 - 70 - 3510/3.0=10, 3511/1.8=8...(38) QG2 VAL 73 - HB3 LEU 108 OK 43 92 - 47 - 8594/8800=6, 3482/1.8=6...(16) QD1 ILE 136 - HB3 LEU 108 OK 27 81 - 33 - 3482/1.8=4, 7276/3.6=3...(13) Peak 3494 from aliabs.peaks (3.73, 1.61, 26.57 ppm; 4.58 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 108 + HG LEU 108 OK 100 100 - 100 - 3.7=100 HA LEU 108 - HG3 ARG 49 OK 25 68 - 37 - 4.0/3498=6, 3.0/3489=5...(9) HA2 GLY 15 - HG LEU 108 OK 11 94 - 12 - 3477/3.0=3, 3502/2.1=3...(4) QA GLY 2 - HG LEU 108 lone 2 68 - 2 - HA2 GLY 15 - HG3 ARG 49 lone 1 59 - 2 - QA GLY 2 - HG3 ARG 49 lone 0 38 - 1 - Peak 3495 from aliabs.peaks (0.93, 1.61, 26.57 ppm; 4.01 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 108 + HG LEU 108 OK 100 100 - 100 - 3.0=100 HB2 LEU 64 + HG LEU 108 OK 60 85 - 71 - 3503/2.1=10, ~9266=9...(30) QG1 VAL 63 + HG LEU 108 OK 49 100 - 50 - 3503/2.1=8, 3487/3.0=6...(16) HB2 LEU 108 - HG3 ARG 49 OK 31 68 - 46 - 3.2/3498=6, 3480=6...(24) QD2 LEU 29 - HG LEU 108 OK 25 98 - 25 - 3503/2.1=5, 3487/3.0=3...(7) QG1 VAL 53 - HG LEU 108 OK 16 92 - 17 - 3503/2.1=3, ~10175=3...(7) HB2 LEU 64 - HG3 ARG 49 OK 13 51 - 26 - ~9881=2, 1819=2, ~8368=2...(13) QD2 LEU 29 - HG3 ARG 49 poor 10 63 - 15 - 8073/3.9=2, ~10659=2...(6) QG1 VAL 63 - HG3 ARG 49 lone 6 66 - 10 - ~10468=3, ~10467=1, 8350/9863=1 QG1 VAL 53 - HG3 ARG 49 lone 2 57 - 3 - Peak 3496 from aliabs.peaks (1.19, 1.61, 26.57 ppm; 4.10 A): 6 out of 14 assignments used, quality = 1.00: * HB3 LEU 108 + HG LEU 108 OK 100 100 - 100 - 3.0=100 HB2 LEU 72 + HG LEU 108 OK 67 85 - 78 - 8536/3.0=8, 3504/2.1=7...(40) HG12 ILE 56 + HG LEU 108 OK 57 98 - 58 - 3.2/11010=8, ~10170=6...(25) HG13 ILE 56 + HG LEU 108 OK 56 92 - 61 - 3.2/11010=8, 3504/2.1=7...(27) QD1 LEU 26 + HG LEU 108 OK 55 98 - 56 - 10906/3.0=11, 3504/2.1=7...(18) QD1 LEU 69 + HG LEU 108 OK 50 77 - 65 - ~8477=28, 8473/2.1=14...(13) HB3 LEU 108 - HG3 ARG 49 OK 33 68 - 48 - 3.2/3498=6, 3489=6...(27) QD1 LEU 26 - HG3 ARG 49 OK 13 63 - 20 - 269/3.0=2, 10548/7156=1...(5) QD1 LEU 69 - HG3 ARG 49 OK 11 45 - 25 - 2038/1.8=2, ~2046=2...(11) QG2 THR 18 - HG LEU 108 OK 11 92 - 12 - 10856/3.7=4, 3504/2.1=1 HB2 LEU 72 - HG3 ARG 49 lone 2 51 - 5 - HG12 ILE 56 - HG3 ARG 49 lone 2 63 - 4 - HG13 ILE 56 - HG3 ARG 49 lone 2 57 - 4 - QG2 THR 18 - HG3 ARG 49 lone 1 57 - 2 - Peak 3497 from aliabs.peaks (1.61, 1.61, 26.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 108 + HG LEU 108 OK 100 100 - 100 HG3 ARG 49 + HG3 ARG 49 OK 59 59 - 100 Peak 3498 from aliabs.peaks (0.76, 1.61, 26.57 ppm; 3.17 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 108 + HG LEU 108 OK 100 100 - 100 - 2.1=100 QD1 LEU 108 + HG LEU 108 OK 96 96 - 100 - 2.1=100 QD1 LEU 72 + HG LEU 108 OK 47 81 - 58 - 3513=7, 3507/2.1=7...(34) QD2 LEU 108 - HG3 ARG 49 OK 24 68 - 35 - 3505=7, 2.1/3513=4...(19) QD1 LEU 108 - HG3 ARG 49 OK 21 62 - 35 - 3513=5, 2.1/3505=4...(19) QG2 VAL 73 - HG LEU 108 OK 19 68 - 28 - 3507/2.1=5, 3482/3.0=3...(12) QG2 VAL 73 - HG3 ARG 49 lone 2 38 - 6 - 9924/3.9=2, 8596/1.8=1 QD1 LEU 72 - HG3 ARG 49 lone 2 48 - 4 - Peak 3499 from aliabs.peaks (0.76, 1.61, 26.57 ppm; 3.17 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 108 + HG LEU 108 OK 100 100 - 100 - 2.1=100 QD2 LEU 108 + HG LEU 108 OK 96 96 - 100 - 2.1=100 QD1 LEU 72 + HG LEU 108 OK 57 98 - 58 - 3513=8, 3507/2.1=6...(34) QG2 VAL 73 - HG LEU 108 OK 27 92 - 29 - 3507/2.1=5, 3482/3.0=3...(12) QD1 LEU 108 - HG3 ARG 49 OK 24 68 - 35 - 3513=5, 2.1/3505=4...(19) QD2 LEU 108 - HG3 ARG 49 OK 21 62 - 35 - 3505=6, 2.1/3513=4...(19) QD1 ILE 136 - HG LEU 108 OK 18 81 - 22 - 3507/2.1=3, 3491/3.0=2...(9) QD1 ILE 136 - HG3 ARG 49 poor 8 48 - 17 - 9669/3.0=5, 9688/3.0=2...(6) QG2 VAL 73 - HG3 ARG 49 lone 5 57 - 9 - 9924/3.9=3, 8596/1.8=2 QD1 LEU 72 - HG3 ARG 49 lone 3 63 - 4 - Peak 3502 from aliabs.peaks (3.73, 0.76, 23.80 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.88: * HA LEU 108 + QD2 LEU 108 OK 88 100 - 88 - 3469=50, 2.8/7275=19...(20) HA2 GLY 15 - QD2 LEU 108 lone 5 94 - 5 - 3510/2.1=1, 3477/3.2=1 QA GLY 2 - QD2 LEU 108 lone 1 68 - 1 - Peak 3503 from aliabs.peaks (0.93, 0.76, 23.80 ppm; 2.73 A): 3 out of 5 assignments used, quality = 0.96: * HB2 LEU 108 + QD2 LEU 108 OK 90 100 - 90 - 3.2=64, 3.0/3469=19...(22) HB2 LEU 64 + QD2 LEU 108 OK 38 85 - 45 - 3503=8, 3.0/9266=6...(15) QG1 VAL 63 + QD2 LEU 108 OK 32 100 - 32 - 2.1/3503=4, 3511/2.1=3...(11) QD2 LEU 29 - QD2 LEU 108 OK 18 98 - 18 - 3503=2, 3511/2.1=2...(6) QG1 VAL 53 - QD2 LEU 108 OK 12 92 - 13 - 2.1/10175=3...(5) Peak 3504 from aliabs.peaks (1.19, 0.76, 23.80 ppm; 2.67 A): 3 out of 7 assignments used, quality = 0.96: * HB3 LEU 108 + QD2 LEU 108 OK 89 100 - 89 - 3.2=61, 3.0/3469=18...(20) HB2 LEU 72 + QD2 LEU 108 OK 43 85 - 50 - 3.1/3507=3, 8536/3.2=3...(29) QD1 LEU 69 + QD2 LEU 108 OK 39 77 - 50 - 2.1/8477=18, 8473=14...(12) HG13 ILE 56 - QD2 LEU 108 OK 38 92 - 41 - 3504=8, 3.0/10170=5...(16) QD1 LEU 26 - QD2 LEU 108 OK 35 98 - 35 - 3504=7, 10906/3.2=5...(12) HG12 ILE 56 - QD2 LEU 108 OK 34 98 - 35 - 1.8/3504=5, 3.0/10170=5...(15) QG2 THR 18 - QD2 LEU 108 lone 6 92 - 7 - 10856/4.0=1 Peak 3505 from aliabs.peaks (1.61, 0.76, 23.80 ppm; 3.06 A): 1 out of 11 assignments used, quality = 1.00: * HG LEU 108 + QD2 LEU 108 OK 100 100 - 100 - 2.1=100 HG3 ARG 49 - QD2 LEU 108 OK 33 94 - 35 - 3498=8, 3513/2.1=3...(14) HB2 LEU 97 - QD2 LEU 108 OK 18 100 - 18 - 3505=3, 3513/2.1=2...(5) HG3 LYS 48 - QD2 LEU 108 OK 18 94 - 19 - 4.9/3501=3, 1183/4.8=3...(7) HG2 ARG 144 - QD2 LEU 108 OK 16 98 - 16 - 3505=3, 3513/2.1=2...(5) HG3 ARG 144 - QD2 LEU 108 OK 15 89 - 16 - 3505=2, 1.8/3505=2, 3513/2.1=2 HB2 LEU 87 - QD2 LEU 108 OK 14 72 - 19 - 3505=3, 8881/8810=3...(6) HB2 LEU 79 - QD2 LEU 108 OK 11 77 - 14 - 3505=2, ~10546=2, 3513/2.1=1 HG2 ARG 141 - QD2 LEU 108 lone 8 100 - 7 - 3505=1, 3513/2.1=1 HD2 LYS 61 - QD2 LEU 108 lone 5 81 - 7 - HD3 LYS 61 - QD2 LEU 108 lone 5 77 - 6 - Peak 3506 from aliabs.peaks (0.76, 0.76, 23.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 108 + QD2 LEU 108 OK 100 100 - 100 Peak 3507 from aliabs.peaks (0.76, 0.76, 23.80 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 108 + QD2 LEU 108 OK 96 96 - 100 Reference assignment not found: QD1 LEU 108 - QD2 LEU 108 Peak 3510 from aliabs.peaks (3.73, 0.76, 26.39 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.97: * HA LEU 108 + QD1 LEU 108 OK 94 100 - 94 - 3.8=66, 3469/2.1=36...(17) HA LEU 108 + QD1 LEU 72 OK 45 90 - 50 - 3470=8, 3470/2.1=5...(22) HA2 GLY 15 - QD1 LEU 108 lone 7 94 - 7 - 3502/2.1=2, 3477/3.2=2...(4) QA GLY 2 - QD1 LEU 108 lone 1 68 - 1 - HA2 GLY 15 - QD1 LEU 72 lone 1 81 - 1 - QA GLY 2 - QD1 LEU 72 lone 0 55 - 0 - Peak 3511 from aliabs.peaks (0.93, 0.76, 26.39 ppm; 2.79 A): 3 out of 10 assignments used, quality = 0.97: * HB2 LEU 108 + QD1 LEU 108 OK 91 100 - 91 - 3.2=68, 1.8/3512=19...(19) HB2 LEU 108 + QD1 LEU 72 OK 44 90 - 49 - 3.0/3510=6, 3482=4...(23) HB2 LEU 64 + QD1 LEU 108 OK 39 85 - 45 - 3511=8, 3503/2.1=6...(15) QG1 VAL 63 - QD1 LEU 108 OK 31 100 - 32 - 3503/2.1=5, 2.1/3511=4...(10) QD2 LEU 29 - QD1 LEU 108 OK 17 98 - 17 - 3503/2.1=3, 3511=2...(5) QG1 VAL 63 - QD1 LEU 72 OK 15 89 - 17 - 9871/3.1=4, ~8356=2 QD2 LEU 29 - QD1 LEU 72 OK 12 86 - 14 - 8074/3.1=4, ~8075=2...(5) QG1 VAL 53 - QD1 LEU 108 poor 10 92 - 10 - 3503/2.1=2, ~10175=1, 3487/3.2=1 HB2 LEU 64 - QD1 LEU 72 poor 10 72 - 13 - ~9838=1, 3.0/9878=1...(4) QG1 VAL 53 - QD1 LEU 72 lone 4 78 - 5 - Peak 3512 from aliabs.peaks (1.19, 0.76, 26.39 ppm; 2.79 A): 2 out of 14 assignments used, quality = 0.96: * HB3 LEU 108 + QD1 LEU 108 OK 90 100 - 90 - 3.2=67, 3504/2.1=16...(20) HB2 LEU 72 + QD1 LEU 72 OK 64 72 - 90 - 3.1=70, 1.8/2152=12...(26) HB3 LEU 108 - QD1 LEU 72 OK 42 90 - 47 - 3.0/3510=6, 1.8/3511=5...(21) HB2 LEU 72 - QD1 LEU 108 OK 42 85 - 49 - 3504/2.1=5, 1.8/2131=4...(23) QD1 LEU 69 - QD1 LEU 108 OK 36 77 - 47 - ~8477=12, 8473/2.1=9...(11) QD1 LEU 69 - QD1 LEU 72 OK 32 64 - 50 - 8473=8, 2.1/8477=6...(24) HG12 ILE 56 - QD1 LEU 108 OK 31 98 - 32 - 3504/2.1=4, ~10170=2...(16) HG13 ILE 56 - QD1 LEU 108 OK 31 92 - 33 - 3504/2.1=5, 3496/2.1=3...(17) QD1 LEU 26 - QD1 LEU 108 OK 30 98 - 31 - 10906/3.2=5, 3504/2.1=5...(12) QD1 LEU 26 - QD1 LEU 72 lone 9 86 - 10 - QG2 THR 18 - QD1 LEU 108 lone 7 92 - 7 - 10856/3.8=2 HG12 ILE 56 - QD1 LEU 72 lone 4 86 - 5 - QG2 THR 18 - QD1 LEU 72 lone 4 78 - 5 - HG13 ILE 56 - QD1 LEU 72 lone 4 78 - 5 - Peak 3513 from aliabs.peaks (1.61, 0.76, 26.39 ppm; 3.07 A): 2 out of 22 assignments used, quality = 1.00: * HG LEU 108 + QD1 LEU 108 OK 100 100 - 100 - 2.1=100 HG LEU 108 + QD1 LEU 72 OK 52 90 - 57 - 3499=8, 2.1/3507=6...(33) HG3 ARG 49 - QD1 LEU 108 OK 32 94 - 34 - 3498/2.1=6, 3513=5...(15) HG3 LYS 48 - QD1 LEU 108 OK 21 94 - 22 - 4.9/3509=3, 1183/4.4=3...(8) HB2 LEU 97 - QD1 LEU 108 OK 20 100 - 20 - 3513=3, 3505/2.1=2...(7) HG2 ARG 144 - QD1 LEU 108 OK 17 98 - 18 - 3513=3, 3505/2.1=2...(6) HG3 ARG 144 - QD1 LEU 108 OK 16 89 - 17 - 3513=2, 1.8/3513=2...(5) HB2 LEU 87 - QD1 LEU 108 OK 11 72 - 16 - 3.0/10231=3, 3513=2, 3505/2.1=2 HB2 LEU 79 - QD1 LEU 108 OK 11 77 - 15 - 3513=2, ~10546=2, 3505/2.1=1 HG2 ARG 141 - QD1 LEU 108 OK 11 100 - 11 - 3.8/9259=2, 3513=2, 3505/2.1=1 HB2 LEU 97 - QD1 LEU 72 lone 6 90 - 7 - 10128/9028=2 HD2 LYS 61 - QD1 LEU 108 lone 6 81 - 7 - HG2 ARG 141 - QD1 LEU 72 lone 5 90 - 6 - HD3 LYS 61 - QD1 LEU 108 lone 5 77 - 7 - HB2 LEU 79 - QD1 LEU 72 lone 5 64 - 8 - 3.1/2154=1 HG3 LYS 48 - QD1 LEU 72 lone 3 81 - 4 - HG3 ARG 49 - QD1 LEU 72 lone 3 81 - 4 - HB2 LEU 87 - QD1 LEU 72 lone 3 60 - 4 - 4.6/9913=2 HG2 ARG 144 - QD1 LEU 72 lone 2 86 - 3 - HG3 ARG 144 - QD1 LEU 72 lone 2 75 - 3 - HD2 LYS 61 - QD1 LEU 72 lone 1 68 - 1 - HD3 LYS 61 - QD1 LEU 72 lone 1 64 - 1 - Peak 3514 from aliabs.peaks (0.76, 0.76, 26.39 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 108 + QD1 LEU 108 OK 96 96 - 100 QD1 LEU 72 + QD1 LEU 72 OK 68 68 - 100 Reference assignment not found: QD2 LEU 108 - QD1 LEU 108 Peak 3515 from aliabs.peaks (0.76, 0.76, 26.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 108 + QD1 LEU 108 OK 100 100 - 100 QD1 LEU 72 + QD1 LEU 72 OK 86 86 - 100 Peak 3518 from aliabs.peaks (3.61, 3.61, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 109 + HA ARG 109 OK 100 100 - 100 Peak 3519 from aliabs.peaks (1.39, 3.61, 60.23 ppm; 4.09 A): 3 out of 9 assignments used, quality = 1.00: * HB2 ARG 109 + HA ARG 109 OK 100 100 - 100 - 3.0=100 HB2 LEU 69 + HA ARG 109 OK 48 96 - 50 - 3.2/10176=9, ~11115=5...(23) HB VAL 82 + HA ARG 109 OK 46 100 - 46 - ~9977=6, ~9974=6...(16) HG2 LYS 36 - HA ARG 109 OK 30 72 - 42 - 2.9/3520=4, 3542/3.0=4...(22) HG2 LYS 86 - HA ARG 109 OK 30 100 - 30 - 3.9/9276=4, 3542/3.0=3...(16) HG2 ARG 49 - HA ARG 109 OK 27 94 - 28 - 3542/3.0=3, 7292/2.9=3...(18) HB3 LEU 39 - HA ARG 109 OK 26 72 - 36 - 3.2/9272=8, 3542/3.0=3...(18) HG LEU 132 - HA ARG 109 OK 18 77 - 23 - 7292/2.9=2, 3542/3.0=2...(10) HG LEU 116 - HA ARG 109 OK 15 68 - 22 - 2.1/10176=5, ~9273=5...(7) Peak 3520 from aliabs.peaks (1.72, 3.61, 60.23 ppm; 4.40 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 109 + HA ARG 109 OK 100 100 - 100 - 3.0=100 HG3 ARG 89 + HA ARG 109 OK 46 100 - 46 - 3.0/3527=7, 3533/3.0=6...(20) HD2 LYS 36 - HA ARG 109 OK 39 85 - 46 - 3533/3.0=6, 3561/3.9=5...(21) HB2 LYS 85 - HA ARG 109 OK 38 100 - 38 - 3561/3.9=8, 3533/3.0=6...(11) HB3 GLU 81 - HA ARG 109 OK 35 98 - 35 - 7293/2.9=5, 4.0/3517=4...(17) HB ILE 58 - HA ARG 109 OK 26 85 - 31 - 2.1/8279=10, 3.2/8286=6...(9) HB3 ARG 144 - HA ARG 109 OK 11 92 - 12 - 7293/2.9=1, 3533/3.0=1 HD2 LYS 93 - HA ARG 109 lone 5 62 - 8 - Peak 3521 from aliabs.peaks (1.56, 3.61, 60.23 ppm; 3.89 A): 3 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HA ARG 109 OK 100 100 - 100 - 3.9=100 HG2 ARG 145 + HA ARG 109 OK 71 99 - 72 - 3562/3.9=6, 3550=6...(38) HG3 ARG 145 + HA ARG 109 OK 71 99 - 72 - 3562/3.9=6, 3550=6...(38) HD2 LYS 85 - HA ARG 109 OK 38 99 - 38 - 3544/3.0=4, 3534/3.0=4...(20) HB3 LEU 79 - HA ARG 109 OK 35 72 - 49 - 3.1/9271=14, 3.1/8728=9...(21) HD3 LYS 85 - HA ARG 109 OK 27 77 - 35 - 3.6/3520=3, 3544/3.0=3...(20) HB2 LEU 126 - HA ARG 109 OK 21 96 - 22 - 3.1/9272=9, 3534/3.0=2...(7) HG2 ARG 55 - HA ARG 109 lone 4 100 - 4 - HG3 ARG 55 - HA ARG 109 lone 4 98 - 4 - Peak 3522 from aliabs.peaks (1.58, 3.61, 60.23 ppm; 3.89 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 109 + HA ARG 109 OK 100 100 - 100 - 3.9=100 HB2 LEU 66 + HA ARG 109 OK 54 100 - 54 - 3.1/9272=13, 2.9/3520=6...(20) HG2 ARG 145 + HA ARG 109 OK 52 77 - 68 - 1.8/3550=6, 3.0/3568=6...(38) HG3 ARG 145 + HA ARG 109 OK 52 77 - 67 - 1.8/3550=6, 3.0/3568=6...(38) HG3 ARG 124 - HA ARG 109 OK 37 98 - 38 - 3.0/3524=5, 4237/5.2=5...(15) HD3 LYS 85 - HA ARG 109 OK 36 99 - 36 - 3545/3.0=3, 3535/3.0=3...(21) HG3 LYS 36 - HA ARG 109 OK 35 98 - 36 - 698/3.0=3, 2.9/3520=3...(18) HD2 LYS 85 - HA ARG 109 OK 26 77 - 34 - 3.6/3520=3, 3545/3.0=2...(20) HB2 LEU 126 - HA ARG 109 OK 17 85 - 19 - 3.1/9272=9, 3535/3.0=1...(4) Peak 3523 from aliabs.peaks (3.11, 3.61, 60.23 ppm; 4.91 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 109 + HA ARG 109 OK 96 100 - 96 - 5.2=84, 1.8/3524=23...(13) HD2 ARG 145 + HA ARG 109 OK 86 100 - 87 - 3568=12, 3564/3.9=11...(37) HD3 ARG 145 + HA ARG 109 OK 86 99 - 87 - 3568=12, 1.8/3568=11...(37) HB3 PHE 106 + HA ARG 109 OK 59 85 - 70 - ~3427=13, ~3429=10...(17) HA ALA 105 - HA ARG 109 OK 37 92 - 40 - ~10207=13, 10205/2.9=13...(8) HB3 ASN 96 - HA ARG 109 lone 8 99 - 8 - 10120/9271=1, 7280/2.9=1 HA TYR 119 - HA ARG 109 lone 6 92 - 7 - 8917/10555=2, 9421/8286=1 Peak 3524 from aliabs.peaks (3.33, 3.61, 60.23 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.96: * HD3 ARG 109 + HA ARG 109 OK 93 100 - 93 - 5.2=72, 7297/2.9=17...(19) HD2 ARG 124 + HA ARG 109 OK 42 85 - 49 - 3565/3.9=9, 3547/3.0=7...(18) HB2 TRP 88 - HA ARG 109 OK 41 81 - 50 - 5.3/10555=13...(9) Peak 3526 from aliabs.peaks (9.19, 3.61, 60.23 ppm; 6.64 A): 1 out of 1 assignment used, quality = 0.97: * H TYR 112 + HA ARG 109 OK 97 100 - 97 - 7354=44, 3.9/10554=39...(16) Peak 3527 from aliabs.peaks (3.25, 3.61, 60.23 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.90: * HB2 TYR 112 + HA ARG 109 OK 80 100 - 80 - 4.0/7354=42...(7) HD2 ARG 89 + HA ARG 109 OK 41 98 - 42 - 3.0/3520=8, ~3533=6...(12) HD2 PRO 52 + HA ARG 109 OK 16 72 - 22 - 8231/4.9=10, 7366/7354=4...(4) Peak 3528 from aliabs.peaks (3.41, 3.61, 60.23 ppm; 6.34 A): 2 out of 3 assignments used, quality = 0.92: * HB3 TYR 112 + HA ARG 109 OK 84 100 - 84 - 4.0/7354=40, 3672=34...(10) HA THR 74 + HA ARG 109 OK 51 100 - 51 - 8559/2.9=11, 3.2/9271=10...(13) HD2 PRO 98 - HA ARG 109 poor 9 68 - 13 - 8727/8728=3, 7367/7354=3...(4) Peak 3529 from aliabs.peaks (3.95, 1.39, 29.64 ppm; 6.80 A): 3 out of 9 assignments used, quality = 0.98: * HA PHE 106 + HB2 ARG 109 OK 91 100 - 91 - 3427/4.0=30, 3429/1.8=28...(27) HA LYS 86 + HB2 ARG 109 OK 52 94 - 55 - 9276/3.0=10, ~11118=9...(14) HA3 GLY 94 + HB2 ARG 109 OK 49 100 - 49 - 3.0/3538=8, 3539/1.8=8...(10) HA ALA 60 - HB2 ARG 109 OK 43 100 - 43 - 4.8/3531=13, 11591/2.8=7...(7) HA LYS 48 - HB2 ARG 109 OK 34 89 - 38 - 9276/3.0=8, 7281/4.0=6...(8) HA3 GLY 143 - HB2 ARG 109 OK 31 94 - 33 - ~10745=10, ~11637=9...(7) HB3 SER 103 - HB2 ARG 109 OK 20 92 - 21 - 11591/2.8=4, 7281/4.0=4...(7) HD3 PRO 129 - HB2 ARG 109 OK 19 92 - 21 - 9276/3.0=3, ~10745=2...(6) HA LEU 29 - HB2 ARG 109 poor 9 89 - 10 - 9276/3.0=2...(3) Peak 3531 from aliabs.peaks (3.61, 1.39, 29.64 ppm; 5.35 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 3.0=100 HA LYS 61 + HB2 ARG 109 OK 59 89 - 66 - 3541/1.8=13, 3559/2.8=9...(21) HA2 GLY 31 - HB2 ARG 109 OK 40 99 - 40 - 3541/1.8=8, 4702/10233=7...(12) Peak 3532 from aliabs.peaks (1.39, 1.39, 29.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 109 + HB2 ARG 109 OK 100 100 - 100 Peak 3533 from aliabs.peaks (1.72, 1.39, 29.64 ppm; 3.82 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 1.8=100 HB2 LYS 85 + HB2 ARG 109 OK 54 100 - 55 - 3561/2.8=8, 2587/2.8=5...(28) HG3 ARG 89 + HB2 ARG 109 OK 45 100 - 46 - 2.8/11115=5, ~11118=4...(20) HD2 LYS 36 - HB2 ARG 109 OK 45 85 - 52 - 3561/2.8=5, ~721=4...(29) HB3 GLU 81 - HB2 ARG 109 OK 31 98 - 32 - 4.0/3530=3, 3561/2.8=3...(17) HB ILE 58 - HB2 ARG 109 OK 24 85 - 28 - ~11117=4, ~8279=4...(12) HB3 ARG 144 - HB2 ARG 109 OK 11 92 - 11 - 3561/2.8=1 HD2 LYS 93 - HB2 ARG 109 lone 5 62 - 8 - 3.4/11115=1 Peak 3534 from aliabs.peaks (1.56, 1.39, 29.64 ppm; 3.98 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 2.8=100 HG2 ARG 145 + HB2 ARG 109 OK 88 99 - 89 - 3562/2.8=9, 3544/1.8=7...(74) HG3 ARG 145 + HB2 ARG 109 OK 88 99 - 89 - 3562/2.8=9, 3552/1.8=7...(74) HD2 LYS 85 + HB2 ARG 109 OK 56 99 - 57 - 3544/1.8=5, 3.6/3533=5...(32) HD3 LYS 85 - HB2 ARG 109 OK 42 77 - 55 - 3.6/3533=5, 3544/1.8=4...(29) HB3 LEU 79 - HB2 ARG 109 OK 39 72 - 54 - ~8728=6, ~9271=6...(25) HB2 LEU 126 - HB2 ARG 109 OK 27 96 - 28 - ~9272=5, 3544/1.8=2...(14) HG2 ARG 55 - HB2 ARG 109 lone 4 100 - 4 - HG3 ARG 55 - HB2 ARG 109 lone 4 98 - 4 - Peak 3535 from aliabs.peaks (1.58, 1.39, 29.64 ppm; 3.94 A): 7 out of 9 assignments used, quality = 1.00: * HG3 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 2.8=100 HG2 ARG 145 + HB2 ARG 109 OK 67 77 - 87 - 3.0/3536=6, 3.0/3536=6...(72) HG3 ARG 145 + HB2 ARG 109 OK 67 77 - 87 - 3.0/3536=6, 3.0/3536=6...(72) HB2 LEU 66 + HB2 ARG 109 OK 64 100 - 65 - 2.9/3533=8, ~9272=7...(29) HG3 ARG 124 + HB2 ARG 109 OK 58 98 - 59 - 4237/3.6=8, ~4227=4...(31) HG3 LYS 36 + HB2 ARG 109 OK 55 98 - 57 - 2.9/3533=5, 700/1.8=4...(33) HD3 LYS 85 + HB2 ARG 109 OK 55 99 - 55 - 3.6/3533=5, 3545/1.8=4...(31) HD2 LYS 85 - HB2 ARG 109 OK 41 77 - 53 - 3.6/3533=5, ~2606=3...(31) HB2 LEU 126 - HB2 ARG 109 OK 21 85 - 25 - ~9272=5, ~4284=2...(12) Peak 3536 from aliabs.peaks (3.11, 1.39, 29.64 ppm; 4.43 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 145 + HB2 ARG 109 OK 94 100 - 94 - 3564/2.8=11, 3546/1.8=11...(74) HD3 ARG 145 + HB2 ARG 109 OK 93 99 - 94 - 3564/2.8=11, 3546/1.8=11...(74) HB3 PHE 106 + HB2 ARG 109 OK 55 85 - 65 - 3.0/3428=12, ~10732=10...(16) HA ALA 105 - HB2 ARG 109 OK 27 92 - 29 - 10205/4.0=9, 10202/3.6=8...(7) HB3 ASN 96 - HB2 ARG 109 lone 8 99 - 8 - HA TYR 119 - HB2 ARG 109 lone 5 92 - 5 - Peak 3537 from aliabs.peaks (3.33, 1.39, 29.64 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 109 + HB2 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 124 + HB2 ARG 109 OK 68 85 - 80 - 3565/2.8=17, 3547/1.8=15...(25) HB2 TRP 88 + HB2 ARG 109 OK 51 81 - 63 - 6.5/10233=19...(10) Peak 3539 from aliabs.peaks (3.95, 1.72, 29.64 ppm; 4.45 A): 7 out of 9 assignments used, quality = 0.93: * HA PHE 106 + HB3 ARG 109 OK 69 100 - 70 - 3427/4.0=16, 3429=16...(16) HA LYS 86 + HB3 ARG 109 OK 31 94 - 33 - 3.0/11118=7, 9276/3.0=5...(10) HA3 GLY 94 + HB3 ARG 109 OK 27 100 - 27 - 3.0/3548=4, 7281/4.0=4...(8) HA ALA 60 + HB3 ARG 109 OK 25 100 - 25 - 4.8/3541=7, 11591/2.8=4...(6) HA LYS 48 + HB3 ARG 109 OK 17 89 - 19 - 9276/3.0=4, 7281/4.0=4...(5) HA3 GLY 143 + HB3 ARG 109 OK 16 94 - 17 - 1.8/11637=5, ~10745=5...(4) HB3 SER 103 + HB3 ARG 109 OK 11 92 - 11 - 11591/2.8=3, 7281/4.0=2...(5) HD3 PRO 129 - HB3 ARG 109 lone 9 92 - 9 - 9276/3.0=1, ~10745=1 HA LEU 29 - HB3 ARG 109 lone 4 89 - 4 - Peak 3541 from aliabs.peaks (3.61, 1.72, 29.64 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 3.0=100 HA LYS 61 + HB3 ARG 109 OK 60 89 - 68 - 3.8/11117=12...(24) HA2 GLY 31 - HB3 ARG 109 OK 36 99 - 36 - 3531/1.8=7, 3559/2.8=6...(12) Peak 3542 from aliabs.peaks (1.39, 1.72, 29.64 ppm; 3.52 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 1.8=100 HB VAL 82 - HB3 ARG 109 OK 42 100 - 42 - 3.0/2476=4, 3560/2.8=4...(18) HB2 LEU 69 - HB3 ARG 109 OK 41 96 - 42 - 1.8/11118=8, ~11115=5...(20) HG2 LYS 36 - HB3 ARG 109 OK 32 72 - 45 - 688/2.8=3, 1.8/3545=3...(25) HG2 LYS 86 - HB3 ARG 109 OK 30 100 - 30 - 2.9/11118=5, 3560/2.8=3...(16) HG2 ARG 49 - HB3 ARG 109 OK 24 94 - 26 - 3.9/11120=4, 3519/3.0=2...(17) HB3 LEU 39 - HB3 ARG 109 OK 23 72 - 31 - ~9272=3, 3519/3.0=2...(16) HG LEU 132 - HB3 ARG 109 OK 15 77 - 19 - 3519/3.0=2, ~4514=2...(9) HG LEU 116 - HB3 ARG 109 OK 14 68 - 20 - ~9273=4, 2.1/11089=3...(9) Peak 3543 from aliabs.peaks (1.72, 1.72, 29.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 109 + HB3 ARG 109 OK 100 100 - 100 Peak 3544 from aliabs.peaks (1.56, 1.72, 29.64 ppm; 4.02 A): 5 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 2.8=100 HG2 ARG 145 + HB3 ARG 109 OK 89 99 - 90 - 3562/2.8=9, 3.0/3546=8...(75) HG3 ARG 145 + HB3 ARG 109 OK 89 99 - 90 - 3562/2.8=9, 3.0/3546=8...(75) HD2 LYS 85 + HB3 ARG 109 OK 61 99 - 62 - 3.0/2606=6, 3.0/2617=5...(35) HD3 LYS 85 + HB3 ARG 109 OK 46 77 - 59 - 3.0/2606=6, 3.0/2617=5...(32) HB3 LEU 79 - HB3 ARG 109 OK 42 72 - 58 - ~8728=7, ~9271=6...(30) HB2 LEU 126 - HB3 ARG 109 OK 27 96 - 28 - ~9272=5, 3534/1.8=2...(14) HG2 ARG 55 - HB3 ARG 109 lone 3 100 - 3 - HG3 ARG 55 - HB3 ARG 109 lone 3 98 - 3 - Peak 3545 from aliabs.peaks (1.58, 1.72, 29.64 ppm; 3.81 A): 7 out of 9 assignments used, quality = 1.00: * HG3 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 2.8=100 HB2 LEU 66 + HB3 ARG 109 OK 67 100 - 67 - 3.1/1918=7, 3.1/1910=7...(33) HG2 ARG 145 + HB3 ARG 109 OK 66 77 - 86 - 1.8/3552=7, 3.0/3546=7...(65) HG3 ARG 145 + HB3 ARG 109 OK 66 77 - 85 - 3.0/3546=7, 3.0/3546=7...(65) HD3 LYS 85 + HB3 ARG 109 OK 56 99 - 57 - 3.0/2606=5, 3.0/2617=5...(33) HG3 ARG 124 + HB3 ARG 109 OK 55 98 - 56 - 4237/3.6=8, 3.0/3547=4...(31) HG3 LYS 36 + HB3 ARG 109 OK 51 98 - 52 - 698/1.8=4, 1.8/3542=4...(30) HD2 LYS 85 - HB3 ARG 109 OK 42 77 - 54 - 3.0/2606=5, 3.0/2617=5...(31) HB2 LEU 126 - HB3 ARG 109 OK 20 85 - 23 - ~9272=4, ~4284=2...(10) Peak 3546 from aliabs.peaks (3.11, 1.72, 29.64 ppm; 4.92 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 145 + HB3 ARG 109 OK 96 100 - 97 - 3564/2.8=12, 3536/1.8=11...(75) HD3 ARG 145 + HB3 ARG 109 OK 96 99 - 97 - 3564/2.8=12, 3536/1.8=11...(75) HB3 PHE 106 + HB3 ARG 109 OK 59 85 - 69 - 3.0/3539=17, ~10732=13...(16) HA ALA 105 - HB3 ARG 109 OK 31 92 - 34 - 10205/4.0=12...(10) HB3 ASN 96 - HB3 ARG 109 lone 7 99 - 7 - 3582/3.6=1 HA TYR 119 - HB3 ARG 109 lone 6 92 - 6 - 8917/10556=1 Peak 3547 from aliabs.peaks (3.33, 1.72, 29.64 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 109 + HB3 ARG 109 OK 100 100 - 100 - 3.6=100 HD2 ARG 124 + HB3 ARG 109 OK 60 85 - 70 - 3565/2.8=15, 3524/3.0=10...(24) HB2 TRP 88 - HB3 ARG 109 OK 45 81 - 55 - 5.3/10556=20...(8) Peak 3550 from aliabs.peaks (3.61, 1.56, 26.88 ppm; 4.73 A): 3 out of 9 assignments used, quality = 1.00: * HA ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 3.9=100 HA ARG 109 + HG2 ARG 145 OK 73 86 - 85 - 3521=10, 3521/1.8=9...(38) HA ARG 109 + HG3 ARG 145 OK 73 86 - 85 - 3521=10, 3521/1.8=9...(38) HA LYS 61 - HG2 ARG 109 OK 39 89 - 44 - 3541/2.8=9, 3559/1.8=9...(12) HA2 GLY 31 - HG2 ARG 109 OK 28 99 - 28 - 3559/1.8=7, 3577/3.0=6...(7) HA LYS 61 - HG3 ARG 145 lone 4 71 - 5 - HA LYS 61 - HG2 ARG 145 lone 4 71 - 5 - HA2 GLY 31 - HG3 ARG 145 lone 4 83 - 5 - HA2 GLY 31 - HG2 ARG 145 lone 4 83 - 4 - Peak 3551 from aliabs.peaks (1.39, 1.56, 26.88 ppm; 3.75 A): 4 out of 27 assignments used, quality = 1.00: * HB2 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 2.8=100 HB2 ARG 109 + HG2 ARG 145 OK 74 86 - 87 - 3534=8, 2.8/3562=8...(57) HB2 ARG 109 + HG3 ARG 145 OK 74 86 - 87 - 3534=8, 2.8/3562=8...(57) HB VAL 82 + HG2 ARG 109 OK 48 100 - 48 - 3560/1.8=5, ~8807=5...(20) HG2 LYS 36 - HG2 ARG 109 OK 37 72 - 51 - 688/1.8=5, ~721=4...(33) HB2 LEU 69 - HG2 ARG 109 OK 35 96 - 37 - ~11115=5, 3542/2.8=4...(18) HG2 LYS 86 - HG2 ARG 109 OK 26 100 - 26 - 3560/1.8=4, 3542/2.8=3...(13) HB3 LEU 39 - HG2 ARG 109 OK 23 72 - 32 - ~11496=4, 3560/1.8=3...(16) HG2 ARG 49 - HG2 ARG 109 OK 20 94 - 21 - 3542/2.8=3, 3560/1.8=2...(11) HG LEU 116 - HG2 ARG 109 OK 16 68 - 24 - 2.1/11090=5, ~9273=4...(10) HG LEU 132 - HG2 ARG 109 OK 16 77 - 20 - ~9581=2, 3560/1.8=2...(9) HB VAL 82 - HG2 ARG 145 OK 11 85 - 12 - 2478/3.0=2, 2478/3.0=2...(5) HB VAL 82 - HG3 ARG 145 OK 10 85 - 12 - 2478/3.0=2, 2478/3.0=2...(4) HG2 LYS 86 - HG2 ARG 145 lone 6 86 - 7 - HG2 LYS 86 - HG3 ARG 145 lone 6 86 - 7 - HB2 LEU 69 - HG3 ARG 145 lone 3 79 - 4 - HB2 LEU 69 - HG2 ARG 145 lone 3 79 - 4 - HG LEU 132 - HG2 ARG 145 lone 3 60 - 4 - ~9581=1 HG LEU 132 - HG3 ARG 145 lone 3 60 - 4 - ~9581=1 HG2 LYS 36 - HG2 ARG 145 lone 2 56 - 3 - HG2 LYS 36 - HG3 ARG 145 lone 2 56 - 3 - HG2 ARG 49 - HG3 ARG 145 lone 1 77 - 2 - HG2 ARG 49 - HG2 ARG 145 lone 1 77 - 2 - HB3 LEU 39 - HG2 ARG 145 lone 1 56 - 3 - HB3 LEU 39 - HG3 ARG 145 lone 1 56 - 3 - HG LEU 116 - HG2 ARG 145 lone 1 51 - 2 - HG LEU 116 - HG3 ARG 145 lone 1 51 - 2 - Peak 3552 from aliabs.peaks (1.72, 1.56, 26.88 ppm; 3.05 A): 4 out of 24 assignments used, quality = 1.00: * HB3 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 2.8=100 HB3 ARG 109 + HG2 ARG 145 OK 60 86 - 70 - 2.8/3562=6, 3546/3.0=5...(47) HB3 ARG 109 + HG3 ARG 145 OK 60 86 - 70 - 2.8/3562=6, 3544=5...(46) HB2 LYS 85 + HG2 ARG 109 OK 52 100 - 53 - 3561/1.8=8, 2587=6...(32) HD2 LYS 36 - HG2 ARG 109 OK 31 85 - 36 - 3561/1.8=5, ~721=3...(15) HG3 ARG 89 - HG2 ARG 109 OK 25 100 - 25 - 3561/1.8=4, 3533/2.8=3...(11) HB2 LYS 85 - HG3 ARG 145 OK 21 84 - 24 - 2587=3, 2587/1.8=2...(8) HB2 LYS 85 - HG2 ARG 145 OK 21 84 - 24 - 2587=3, 2587/1.8=2...(8) HB3 GLU 81 - HG2 ARG 109 OK 18 98 - 18 - 3561/1.8=3, 3.0/8786=2...(7) HB ILE 58 - HG2 ARG 109 OK 10 85 - 12 - ~11117=2, 3533/2.8=1...(5) HB3 ARG 144 - HG2 ARG 109 lone 7 92 - 8 - 4.3/7898=2, 3561/1.8=1 HG3 ARG 89 - HG2 ARG 145 lone 6 84 - 6 - HG3 ARG 89 - HG3 ARG 145 lone 6 84 - 6 - HB3 ARG 144 - HG2 ARG 145 lone 5 74 - 6 - 7889/4.9=5 HB3 ARG 144 - HG3 ARG 145 lone 5 74 - 6 - 7889/4.9=5 HB3 GLU 81 - HG2 ARG 145 lone 3 81 - 4 - HD2 LYS 93 - HG2 ARG 109 lone 3 62 - 5 - HB3 GLU 81 - HG3 ARG 145 lone 3 81 - 4 - HD2 LYS 36 - HG2 ARG 145 lone 2 67 - 3 - HD2 LYS 36 - HG3 ARG 145 lone 2 67 - 3 - HD2 LYS 93 - HG2 ARG 145 lone 1 47 - 3 - HD2 LYS 93 - HG3 ARG 145 lone 1 47 - 3 - HB ILE 58 - HG2 ARG 145 lone 1 67 - 1 - HB ILE 58 - HG3 ARG 145 lone 1 67 - 1 - Peak 3553 from aliabs.peaks (1.56, 1.56, 26.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 109 + HG2 ARG 109 OK 100 100 - 100 HG3 ARG 145 + HG3 ARG 145 OK 83 83 - 100 HG2 ARG 145 + HG2 ARG 145 OK 83 83 - 100 Peak 3554 from aliabs.peaks (1.58, 1.56, 26.88 ppm; 2.50 A): 5 out of 25 assignments used, quality = 1.00: * HG3 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 1.8=100 HG2 ARG 145 + HG3 ARG 145 OK 60 60 - 100 - 1.8=100 HG3 ARG 145 + HG2 ARG 145 OK 60 60 - 100 - 1.8=100 HG3 ARG 109 + HG3 ARG 145 OK 53 86 - 62 - 3564/3.0=4, 3564/3.0=4...(31) HG3 ARG 109 + HG2 ARG 145 OK 53 86 - 62 - 3564/3.0=4, 3564/3.0=4...(31) HG2 ARG 145 - HG2 ARG 109 OK 43 77 - 56 - 2.9/4949=3, 2.9/4957=3...(29) HG3 ARG 145 - HG2 ARG 109 OK 43 77 - 56 - 2.9/4949=3, 2.9/4957=3...(28) HG3 ARG 124 - HG2 ARG 109 OK 34 98 - 35 - 4237/3.0=3, ~4227=2...(18) HB2 LEU 66 - HG2 ARG 109 OK 32 100 - 33 - 2.9/3552=3, 3.1/1916=2...(17) HG3 ARG 124 - HG2 ARG 145 OK 28 81 - 34 - 4235/2.9=3, 4233/2.9=2...(11) HD3 LYS 85 - HG2 ARG 109 OK 27 99 - 28 - 3.0/2610=2, 3.6/2587=2...(7) HG3 ARG 124 - HG3 ARG 145 OK 27 81 - 34 - 4235/2.9=3, 4233/2.9=2...(11) HG3 LYS 36 - HG2 ARG 109 OK 24 98 - 25 - ~688=2, 698/2.8=2...(8) HD2 LYS 85 - HG2 ARG 109 OK 20 77 - 26 - 3.0/2610=2, 3.6/2587=2...(4) HB2 LEU 126 - HG2 ARG 109 OK 13 85 - 15 - 3.1/4300=1, 1.8/4284=1 HD3 LYS 85 - HG3 ARG 145 lone 8 83 - 9 - HD3 LYS 85 - HG2 ARG 145 lone 8 83 - 9 - HB2 LEU 126 - HG2 ARG 145 lone 6 67 - 8 - HD2 LYS 85 - HG3 ARG 145 lone 6 60 - 9 - HB2 LEU 66 - HG2 ARG 145 lone 6 84 - 6 - HD2 LYS 85 - HG2 ARG 145 lone 6 60 - 9 - HB2 LEU 126 - HG3 ARG 145 lone 5 67 - 8 - HB2 LEU 66 - HG3 ARG 145 lone 5 84 - 6 - HG3 LYS 36 - HG3 ARG 145 lone 1 81 - 1 - HG3 LYS 36 - HG2 ARG 145 lone 1 81 - 1 - Peak 3555 from aliabs.peaks (3.11, 1.56, 26.88 ppm; 2.83 A): 9 out of 21 assignments used, quality = 1.00: * HD2 ARG 109 + HG2 ARG 109 OK 89 100 - 89 - 3.0=85, 3.6/3552=5...(8) HD2 ARG 145 + HG3 ARG 145 OK 79 84 - 93 - 3.0=87, 3.4/4950=5...(27) HD2 ARG 145 + HG2 ARG 145 OK 79 84 - 93 - 3.0=87, 3.4/4950=5...(27) HD3 ARG 145 + HG3 ARG 145 OK 77 83 - 93 - 3.0=87, 3.4/4949=5...(27) HD3 ARG 145 + HG2 ARG 145 OK 77 83 - 93 - 3.0=87, 3.4/4950=5...(27) HD2 ARG 145 + HG2 ARG 109 OK 67 100 - 67 - 3582/3.0=4, 3546/2.8=4...(41) HD3 ARG 145 + HG2 ARG 109 OK 66 99 - 67 - 3582/3.0=4, 3546/2.8=4...(41) HD2 ARG 109 + HG3 ARG 145 OK 46 86 - 54 - 3.0/3562=5, 4959/2.9=4...(26) HD2 ARG 109 + HG2 ARG 145 OK 46 86 - 54 - 3.0/3562=5, 4959/2.9=4...(26) HB3 PHE 106 - HG2 ARG 109 OK 29 85 - 34 - ~10732=4, ~11591=3...(18) HB3 PHE 106 - HG2 ARG 145 OK 14 67 - 21 - ~10385=5, 2.5/10520=2...(8) HB3 PHE 106 - HG3 ARG 145 OK 14 67 - 21 - ~10385=5, ~10520=2...(8) HA ALA 105 - HG2 ARG 109 OK 12 92 - 13 - 10202/3.0=3, ~9211=2...(5) HB3 ASN 96 - HG2 ARG 145 lone 4 83 - 4 - HB3 ASN 96 - HG3 ARG 145 lone 4 83 - 4 - HB3 ASN 96 - HG2 ARG 109 lone 3 99 - 3 - HA ALA 105 - HG3 ARG 145 lone 2 74 - 3 - HA ALA 105 - HG2 ARG 145 lone 2 74 - 3 - HA TYR 119 - HG2 ARG 109 lone 2 92 - 2 - HA TYR 119 - HG2 ARG 145 lone 1 74 - 1 - HA TYR 119 - HG3 ARG 145 lone 1 74 - 1 - Peak 3556 from aliabs.peaks (3.33, 1.56, 26.88 ppm; 4.46 A): 4 out of 9 assignments used, quality = 1.00: * HD3 ARG 109 + HG2 ARG 109 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 + HG2 ARG 145 OK 81 86 - 95 - 3580=10, 3582/3.0=9...(71) HD3 ARG 109 + HG3 ARG 145 OK 81 86 - 94 - 3580=10, 3.0/3562=9...(71) HD2 ARG 124 + HG2 ARG 109 OK 63 85 - 73 - 4245/1.8=7, ~4254=7...(34) HD2 ARG 124 - HG2 ARG 145 OK 45 67 - 67 - ~4955=4, 4244/2.9=4...(35) HD2 ARG 124 - HG3 ARG 145 OK 44 67 - 66 - ~4955=4, 4244/2.9=4...(35) HB2 TRP 88 - HG2 ARG 109 OK 32 81 - 40 - 7297/4.3=6, 3524/3.9=6...(11) HB2 TRP 88 - HG3 ARG 145 lone 3 64 - 4 - HB2 TRP 88 - HG2 ARG 145 lone 3 64 - 4 - Peak 3559 from aliabs.peaks (3.61, 1.58, 26.88 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 3.9=100 HA LYS 61 - HG3 ARG 109 OK 33 89 - 37 - 3541/2.8=8, 3531/2.8=7...(11) HA2 GLY 31 - HG3 ARG 109 OK 24 99 - 24 - 3577/3.0=5, 3541/2.8=5...(7) Peak 3560 from aliabs.peaks (1.39, 1.58, 26.88 ppm; 3.81 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 2.8=100 HB VAL 82 + HG3 ARG 109 OK 50 100 - 50 - 2.1/8807=8, 3542/2.8=4...(20) HG2 LYS 36 - HG3 ARG 109 OK 41 72 - 57 - 2.9/721=6, 2.9/3561=5...(34) HB2 LEU 69 - HG3 ARG 109 OK 35 96 - 37 - ~11115=5, ~11118=4...(18) HG2 LYS 86 - HG3 ARG 109 OK 34 100 - 34 - 3.9/10745=8, 3542/2.8=3...(14) HB3 LEU 39 - HG3 ARG 109 OK 25 72 - 35 - 3.2/11496=6, 3542/2.8=3...(17) HG2 ARG 49 - HG3 ARG 109 OK 21 94 - 22 - 3542/2.8=3, 3519/3.9=2...(15) HG LEU 116 - HG3 ARG 109 OK 16 68 - 24 - ~9273=4, 2.1/10689=3...(10) HG LEU 132 - HG3 ARG 109 OK 16 77 - 21 - ~9581=3, 3542/2.8=2...(10) Peak 3561 from aliabs.peaks (1.72, 1.58, 26.88 ppm; 2.75 A): 2 out of 8 assignments used, quality = 0.97: * HB3 ARG 109 + HG3 ARG 109 OK 94 100 - 94 - 2.8=90, 3552/1.8=9...(12) HB2 LYS 85 + HG3 ARG 109 OK 44 100 - 44 - 2588=4, 1.8/2600=4...(25) HD2 LYS 36 - HG3 ARG 109 OK 28 85 - 32 - 1.8/721=4, 2.9/688=3...(12) HG3 ARG 89 - HG3 ARG 109 OK 20 100 - 20 - 3533/2.8=2, 3552/1.8=2...(6) HB3 GLU 81 - HG3 ARG 109 OK 15 98 - 16 - 3533/2.8=2, ~8786=2...(6) HB ILE 58 - HG3 ARG 109 lone 8 85 - 9 - ~11117=1, 3533/2.8=1 HB3 ARG 144 - HG3 ARG 109 lone 6 92 - 6 - 4.3/7897=1 HD2 LYS 93 - HG3 ARG 109 lone 2 62 - 4 - Peak 3562 from aliabs.peaks (1.56, 1.58, 26.88 ppm; 2.50 A): 3 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 1.8=100 HG3 ARG 145 + HG3 ARG 109 OK 61 99 - 62 - 3.0/3564=4, 3.0/3564=4...(31) HG2 ARG 145 + HG3 ARG 109 OK 61 99 - 61 - 3.0/3564=4, 3.0/3564=4...(31) HD2 LYS 85 - HG3 ARG 109 OK 28 99 - 29 - 3.6/3561=3, 3.0/2611=2...(7) HD3 LYS 85 - HG3 ARG 109 OK 21 77 - 28 - 3.6/3561=3, 3.0/2611=2...(6) HB3 LEU 79 - HG3 ARG 109 OK 16 72 - 22 - ~2368=2, ~11019=1...(6) HB2 LEU 126 - HG3 ARG 109 OK 15 96 - 15 - HG2 ARG 55 - HG3 ARG 109 lone 1 100 - 1 - HG3 ARG 55 - HG3 ARG 109 lone 1 98 - 1 - Peak 3563 from aliabs.peaks (1.58, 1.58, 26.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 109 + HG3 ARG 109 OK 100 100 - 100 Peak 3564 from aliabs.peaks (3.11, 1.58, 26.88 ppm; 2.91 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 109 + HG3 ARG 109 OK 95 100 - 95 - 3.0=92, 3.6/3561=9...(8) HD2 ARG 145 + HG3 ARG 109 OK 73 100 - 74 - 3.0/3562=5, 3.0/3562=5...(62) HD3 ARG 145 + HG3 ARG 109 OK 73 99 - 74 - 3.0/3562=5, 3.0/3562=5...(62) HB3 PHE 106 - HG3 ARG 109 OK 31 85 - 36 - 3.0/11591=5, 2.5/10732=4...(17) HA ALA 105 - HG3 ARG 109 OK 14 92 - 15 - 10202/3.0=3, 10205/4.3=3...(6) HB3 ASN 96 - HG3 ARG 109 lone 3 99 - 3 - HA TYR 119 - HG3 ARG 109 lone 2 92 - 2 - Peak 3565 from aliabs.peaks (3.33, 1.58, 26.88 ppm; 4.57 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 109 + HG3 ARG 109 OK 100 100 - 100 - 3.0=100 HD2 ARG 124 + HG3 ARG 109 OK 68 85 - 79 - 1.8/4254=9, 3.0/4227=8...(41) HB2 TRP 88 - HG3 ARG 109 OK 34 81 - 42 - 6.5/10235=8, 7297/4.3=7...(10) Peak 3568 from aliabs.peaks (3.61, 3.11, 43.50 ppm; 4.56 A): 3 out of 9 assignments used, quality = 1.00: * HA ARG 109 + HD2 ARG 109 OK 90 100 - 90 - 5.2=67, 3524/1.8=20...(13) HA ARG 109 + HD2 ARG 145 OK 79 96 - 82 - 3.9/3564=10, 3.0/3546=9...(36) HA ARG 109 + HD3 ARG 145 OK 77 93 - 82 - 3.9/3564=10, 3.0/3546=9...(36) HA LYS 61 - HD2 ARG 109 OK 33 89 - 38 - 3541/3.6=8, 3577/1.8=7...(12) HA2 GLY 31 - HD2 ARG 109 OK 26 99 - 26 - 3577/1.8=6, 3559/3.0=5...(7) HA2 GLY 31 - HD2 ARG 145 lone 5 94 - 6 - HA2 GLY 31 - HD3 ARG 145 lone 5 91 - 6 - HA LYS 61 - HD2 ARG 145 lone 5 82 - 6 - HA LYS 61 - HD3 ARG 145 lone 4 78 - 6 - Peak 3569 from aliabs.peaks (1.39, 3.11, 43.50 ppm; 4.10 A): 3 out of 27 assignments used, quality = 1.00: * HB2 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.6=100 HB2 ARG 109 + HD2 ARG 145 OK 88 96 - 92 - 3536=11, 2.8/3564=10...(74) HB2 ARG 109 + HD3 ARG 145 OK 85 93 - 92 - 3536=11, 2.8/3564=10...(74) HB VAL 82 - HD2 ARG 109 OK 45 100 - 45 - 2.1/9986=9, 3578/1.8=5...(16) HG2 LYS 36 - HD2 ARG 109 OK 28 72 - 38 - 688/3.0=4, 3578/1.8=4...(21) HB VAL 82 - HD2 ARG 145 OK 19 95 - 20 - 2.1/9986=3, 2478/1.8=3...(7) HB2 LEU 69 - HD2 ARG 109 OK 19 96 - 20 - 3542/3.6=4, 3560/3.0=3...(6) HB VAL 82 - HD3 ARG 145 OK 19 93 - 20 - 2.1/9986=3, 2478/1.8=3...(8) HB3 LEU 39 - HD2 ARG 109 OK 18 72 - 24 - 3578/1.8=3, 3560/3.0=3...(10) HG2 LYS 86 - HD2 ARG 109 OK 17 100 - 17 - 3560/3.0=3, 3542/3.6=3...(6) HG LEU 132 - HD2 ARG 109 OK 16 77 - 21 - 2.1/9581=6, 3578/1.8=3...(9) HG2 ARG 49 - HD2 ARG 109 OK 14 94 - 15 - 3542/3.6=3, 3560/3.0=2...(7) HG LEU 116 - HD2 ARG 109 OK 12 67 - 18 - ~11090=3, ~9274=2...(9) HG2 LYS 86 - HD2 ARG 145 lone 9 96 - 9 - HG2 LYS 86 - HD3 ARG 145 lone 9 93 - 9 - HG LEU 132 - HD2 ARG 145 poor 7 70 - 10 - 2.1/9581=3, ~9581=2 HG LEU 132 - HD3 ARG 145 lone 7 67 - 10 - 2.1/9581=3, ~9581=2 HB2 LEU 69 - HD2 ARG 145 lone 5 90 - 5 - HB2 LEU 69 - HD3 ARG 145 lone 4 87 - 5 - HG2 ARG 49 - HD2 ARG 145 lone 4 88 - 4 - HG2 ARG 49 - HD3 ARG 145 lone 3 85 - 4 - HB3 LEU 39 - HD2 ARG 145 lone 3 66 - 4 - HG2 LYS 36 - HD2 ARG 145 lone 3 66 - 4 - HG2 LYS 36 - HD3 ARG 145 lone 3 62 - 4 - HB3 LEU 39 - HD3 ARG 145 lone 2 62 - 4 - HG LEU 116 - HD2 ARG 145 lone 2 61 - 3 - HG LEU 116 - HD3 ARG 145 lone 2 58 - 3 - Peak 3570 from aliabs.peaks (1.72, 3.11, 43.50 ppm; 4.17 A): 4 out of 24 assignments used, quality = 1.00: * HB3 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.6=100 HB3 ARG 109 + HD2 ARG 145 OK 89 96 - 92 - 3546=12, 2.8/3564=11...(75) HB3 ARG 109 + HD3 ARG 145 OK 86 93 - 92 - 3546=12, 2.8/3564=11...(75) HB2 LYS 85 + HD2 ARG 109 OK 54 100 - 54 - 3561/3.0=9, 3579/1.8=8...(24) HD2 LYS 36 - HD2 ARG 109 OK 34 85 - 40 - 3561/3.0=6, 3579/1.8=5...(19) HB3 GLU 81 - HD2 ARG 109 OK 24 98 - 24 - 3579/1.8=4, 3561/3.0=3...(10) HB2 LYS 85 - HD2 ARG 145 OK 23 95 - 23 - 2587/3.0=3, 2587/3.0=3...(7) HG3 ARG 89 - HD2 ARG 109 OK 22 100 - 22 - 3533/3.6=5, 3561/3.0=4...(6) HB2 LYS 85 - HD3 ARG 145 OK 22 92 - 23 - 2587/3.0=3, 2587/3.0=3...(7) HG3 ARG 89 - HD2 ARG 145 OK 11 95 - 11 - HG3 ARG 89 - HD3 ARG 145 OK 11 92 - 11 - HB3 ARG 144 - HD2 ARG 109 poor 10 92 - 11 - 4.3/7899=4, 3561/3.0=1...(4) HB ILE 58 - HD2 ARG 109 poor 9 85 - 11 - 3533/3.6=2, ~9824=2...(5) HB3 ARG 144 - HD2 ARG 145 lone 8 85 - 10 - 4.3/7899=7 HB3 ARG 144 - HD3 ARG 145 lone 8 82 - 10 - 4.3/7899=7 HB3 GLU 81 - HD2 ARG 145 lone 6 92 - 6 - 4.0/6870=1 HB3 GLU 81 - HD3 ARG 145 lone 6 89 - 7 - 4.0/6870=1 HD2 LYS 36 - HD2 ARG 145 lone 4 78 - 6 - 7889/6.0=1 HD2 LYS 36 - HD3 ARG 145 lone 4 75 - 6 - 7889/6.0=1 HD2 LYS 93 - HD2 ARG 109 lone 3 62 - 4 - HD2 LYS 93 - HD2 ARG 145 lone 2 56 - 4 - HD2 LYS 93 - HD3 ARG 145 lone 2 53 - 4 - HB ILE 58 - HD2 ARG 145 lone 2 78 - 3 - HB ILE 58 - HD3 ARG 145 lone 2 75 - 3 - Peak 3571 from aliabs.peaks (1.56, 3.11, 43.50 ppm; 3.86 A): 9 out of 27 assignments used, quality = 1.00: * HG2 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 145 OK 94 94 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 94 94 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 145 OK 91 91 - 100 - 3.0=100 HG3 ARG 145 + HD3 ARG 145 OK 91 91 - 100 - 3.0=100 HG2 ARG 109 + HD2 ARG 145 OK 88 96 - 92 - 1.8/3564=12, ~3564=8...(74) HG2 ARG 109 + HD3 ARG 145 OK 86 93 - 92 - 1.8/3564=12, ~3564=8...(74) HG2 ARG 145 + HD2 ARG 109 OK 81 99 - 82 - 3562/3.0=8, 3580/1.8=8...(49) HG3 ARG 145 + HD2 ARG 109 OK 81 99 - 82 - 3562/3.0=8, 3580/1.8=8...(49) HD2 LYS 85 - HD2 ARG 109 OK 44 99 - 44 - ~10238=5, 3580/1.8=4...(21) HB3 LEU 79 - HD2 ARG 109 OK 35 72 - 48 - ~9275=5, ~11019=5...(27) HD3 LYS 85 - HD2 ARG 109 OK 32 77 - 42 - ~10238=5, 3580/1.8=3...(21) HB2 LEU 126 - HD2 ARG 109 OK 28 96 - 29 - ~10254=5, ~11078=3...(13) HD2 LYS 85 - HD2 ARG 145 OK 15 94 - 16 - HD2 LYS 85 - HD3 ARG 145 OK 15 91 - 16 - HD3 LYS 85 - HD2 ARG 145 OK 11 70 - 16 - HD3 LYS 85 - HD3 ARG 145 OK 11 67 - 16 - HB2 LEU 126 - HD2 ARG 145 OK 10 90 - 11 - ~10257=1 HB2 LEU 126 - HD3 ARG 145 poor 10 87 - 11 - ~10257=1 HG2 ARG 55 - HD2 ARG 145 poor 10 95 - 10 - 1416/3.4=1 HG3 ARG 55 - HD2 ARG 145 poor 9 92 - 10 - 1416/3.4=1 HG2 ARG 55 - HD3 ARG 145 poor 9 92 - 10 - 1416/3.4=1 HG3 ARG 55 - HD3 ARG 145 poor 9 89 - 10 - 1416/3.4=1 HB3 LEU 79 - HD2 ARG 145 poor 7 66 - 11 - HB3 LEU 79 - HD3 ARG 145 poor 7 62 - 11 - HG2 ARG 55 - HD2 ARG 109 lone 4 100 - 4 - HG3 ARG 55 - HD2 ARG 109 lone 4 98 - 4 - Peak 3572 from aliabs.peaks (1.58, 3.11, 43.50 ppm; 3.99 A): 13 out of 27 assignments used, quality = 1.00: * HG3 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HD2 ARG 145 OK 91 96 - 95 - 3564=13, 3564/1.8=12...(88) HG3 ARG 109 + HD3 ARG 145 OK 89 93 - 95 - 3564=12, 3564/1.8=12...(88) HG2 ARG 145 + HD2 ARG 145 OK 70 70 - 100 - 3.0=100 HG3 ARG 145 + HD2 ARG 145 OK 70 70 - 100 - 3.0=100 HG3 ARG 124 + HD2 ARG 109 OK 69 98 - 70 - 4237/1.8=12, ~4228=9...(34) HG3 ARG 145 + HD3 ARG 145 OK 67 67 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 145 OK 67 67 - 100 - 3.0=100 HG2 ARG 145 + HD2 ARG 109 OK 63 77 - 82 - 2.9/4959=8, 2.9/4951=8...(53) HG3 ARG 145 + HD2 ARG 109 OK 63 77 - 81 - 2.9/4959=8, 2.9/4951=8...(53) HG3 ARG 124 + HD2 ARG 145 OK 58 92 - 64 - 10847/5.3=6, 4233/3.4=5...(44) HB2 LEU 66 + HD2 ARG 109 OK 57 100 - 58 - ~9274=7, ~9274=6...(25) HG3 ARG 124 + HD3 ARG 145 OK 56 89 - 64 - 10847/5.3=6, 4233/3.4=5...(44) HD3 LYS 85 - HD2 ARG 109 OK 44 99 - 45 - ~10238=5, 3581/1.8=4...(22) HG3 LYS 36 - HD2 ARG 109 OK 40 98 - 41 - ~688=4, 698/3.6=3...(24) HD2 LYS 85 - HD2 ARG 109 OK 33 77 - 43 - ~10238=5, 3581/1.8=3...(24) HB2 LEU 126 - HD2 ARG 109 OK 25 85 - 29 - ~10254=5, ~11078=4...(14) HD3 LYS 85 - HD2 ARG 145 OK 16 94 - 17 - 3.6/3570=1 HD3 LYS 85 - HD3 ARG 145 OK 16 91 - 17 - 3.6/3570=1 HB2 LEU 66 - HD2 ARG 145 OK 14 95 - 15 - 3.0/11127=1 HB2 LEU 66 - HD3 ARG 145 OK 13 92 - 14 - 3.0/11127=1, ~11127=1 HD2 LYS 85 - HD2 ARG 145 OK 12 70 - 16 - 3.6/3570=1 HD2 LYS 85 - HD3 ARG 145 OK 11 67 - 16 - 3.6/3570=1 HB2 LEU 126 - HD2 ARG 145 poor 10 78 - 12 - ~10257=1, ~4284=1 HB2 LEU 126 - HD3 ARG 145 poor 9 75 - 12 - ~10257=1, ~4284=1 HG3 LYS 36 - HD2 ARG 145 lone 4 92 - 5 - HG3 LYS 36 - HD3 ARG 145 lone 4 89 - 5 - Peak 3573 from aliabs.peaks (3.11, 3.11, 43.50 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 109 + HD2 ARG 109 OK 100 100 - 100 HD2 ARG 145 + HD2 ARG 145 OK 95 95 - 100 HD3 ARG 145 + HD3 ARG 145 OK 91 91 - 100 Peak 3574 from aliabs.peaks (3.33, 3.11, 43.50 ppm; 3.69 A): 4 out of 9 assignments used, quality = 1.00: * HD3 ARG 109 + HD2 ARG 109 OK 100 100 - 100 - 1.8=100 HD3 ARG 109 + HD2 ARG 145 OK 80 96 - 84 - 3582=12, 3582/1.8=9...(68) HD3 ARG 109 + HD3 ARG 145 OK 78 93 - 84 - 3582=12, 3582/1.8=9...(68) HD2 ARG 124 + HD2 ARG 109 OK 50 85 - 58 - ~4255=7, 3565/3.0=7...(22) HD2 ARG 124 - HD2 ARG 145 OK 33 78 - 43 - 4244/3.4=3, 4245/3.0=3...(22) HD2 ARG 124 - HD3 ARG 145 OK 32 75 - 43 - 4244/3.4=3, 4245/3.0=3...(22) HB2 TRP 88 - HD2 ARG 109 OK 27 81 - 33 - ~2841=5, ~2841=4...(12) HB2 TRP 88 - HD2 ARG 145 lone 3 74 - 4 - HB2 TRP 88 - HD3 ARG 145 lone 3 71 - 4 - Peak 3577 from aliabs.peaks (3.61, 3.33, 43.50 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 5.2=100 HA LYS 61 - HD3 ARG 109 OK 45 88 - 51 - 3541/3.6=10, 3531/3.6=9...(14) HA2 GLY 31 - HD3 ARG 109 OK 38 99 - 39 - 3559/3.0=7, 3531/3.6=6...(10) Peak 3578 from aliabs.peaks (1.39, 3.33, 43.50 ppm; 4.36 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.6=100 HB VAL 82 - HD3 ARG 109 OK 45 100 - 45 - ~9986=7, 2478/1.8=6...(14) HG2 LYS 36 - HD3 ARG 109 OK 30 72 - 41 - 2.9/3579=5, 3560/3.0=4...(21) HB2 LEU 69 - HD3 ARG 109 OK 24 96 - 25 - 3542/3.6=5, 3560/3.0=4...(8) HG2 LYS 86 - HD3 ARG 109 OK 22 100 - 22 - 3560/3.0=4, 3542/3.6=3...(8) HB3 LEU 39 - HD3 ARG 109 OK 21 72 - 29 - 3578=4, 3.2/9274=4...(11) HG LEU 132 - HD3 ARG 109 OK 18 77 - 24 - ~9581=5, 3578=4...(11) HG2 ARG 49 - HD3 ARG 109 OK 17 94 - 18 - 3542/3.6=3, 3578=3...(9) HG LEU 116 - HD3 ARG 109 OK 15 67 - 22 - 3.0/9274=4...(8) Peak 3579 from aliabs.peaks (1.72, 3.33, 43.50 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.6=100 HB2 LYS 85 + HD3 ARG 109 OK 60 99 - 60 - 3561/3.0=9, 3.0/10238=9...(24) HD2 LYS 36 - HD3 ARG 109 OK 39 85 - 46 - 3579=7, 3561/3.0=6...(18) HG3 ARG 89 - HD3 ARG 109 OK 27 99 - 27 - 3579=5, 3533/3.6=5...(7) HB3 GLU 81 - HD3 ARG 109 OK 26 98 - 26 - 3579=5, 3561/3.0=3...(9) HB ILE 58 - HD3 ARG 109 OK 10 85 - 12 - 3533/3.6=2, ~9824=2...(4) HB3 ARG 144 - HD3 ARG 109 lone 8 91 - 8 - 3579=1, 3561/3.0=1, 3533/3.6=1 HD2 LYS 93 - HD3 ARG 109 lone 3 62 - 5 - Peak 3580 from aliabs.peaks (1.56, 3.33, 43.50 ppm; 3.87 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.0=100 HG2 ARG 145 + HD3 ARG 109 OK 88 99 - 89 - 3580=8, 3562/3.0=8...(71) HG3 ARG 145 + HD3 ARG 109 OK 87 99 - 89 - 3580=9, 3562/3.0=8...(71) HD2 LYS 85 + HD3 ARG 109 OK 49 99 - 50 - 3.0/10238=7, 3.6/3579=5...(20) HD3 LYS 85 - HD3 ARG 109 OK 36 77 - 48 - 3.0/10238=7, 3.6/3579=5...(20) HB3 LEU 79 - HD3 ARG 109 OK 36 72 - 50 - 3.1/9275=8, 3.0/11019=7...(26) HB2 LEU 126 - HD3 ARG 109 OK 30 96 - 31 - 3.1/10254=8, 3.1/10682=3...(12) HG2 ARG 55 - HD3 ARG 109 lone 3 99 - 3 - HG3 ARG 55 - HD3 ARG 109 lone 3 98 - 3 - Peak 3581 from aliabs.peaks (1.58, 3.33, 43.50 ppm; 3.94 A): 6 out of 9 assignments used, quality = 1.00: * HG3 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 3.0=100 HG3 ARG 124 + HD3 ARG 109 OK 73 98 - 75 - 4237=15, 1.8/4228=12...(41) HG2 ARG 145 + HD3 ARG 109 OK 68 77 - 89 - 3.0/3582=8, 3.0/3582=8...(71) HG3 ARG 145 + HD3 ARG 109 OK 68 77 - 88 - 3.0/3582=8, 3.0/3582=8...(71) HB2 LEU 66 + HD3 ARG 109 OK 54 99 - 55 - 3.1/9274=10, 2.9/3579=6...(25) HD3 LYS 85 + HD3 ARG 109 OK 49 99 - 50 - 3.0/10238=7, 3.6/3579=5...(22) HG3 LYS 36 - HD3 ARG 109 OK 39 98 - 41 - 2.9/3579=4, ~688=4...(24) HD2 LYS 85 - HD3 ARG 109 OK 36 77 - 47 - 3.0/10238=7, 3.6/3579=5...(22) HB2 LEU 126 - HD3 ARG 109 OK 26 85 - 31 - 3.1/10254=8, 3.1/10682=3...(12) Peak 3582 from aliabs.peaks (3.11, 3.33, 43.50 ppm; 3.50 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 109 + HD3 ARG 109 OK 100 100 - 100 - 1.8=100 HD2 ARG 145 + HD3 ARG 109 OK 79 99 - 80 - 3582=11, 1.8/3582=8...(67) HD3 ARG 145 + HD3 ARG 109 OK 78 99 - 80 - 3582=11, 1.8/3582=8...(67) HB3 PHE 106 - HD3 ARG 109 OK 35 85 - 42 - ~10732=6, 3582=5...(20) HA ALA 105 - HD3 ARG 109 OK 30 91 - 33 - 2.1/9211=9, 10202=6...(10) HB3 ASN 96 - HD3 ARG 109 lone 9 99 - 9 - 3582=1 HA TYR 119 - HD3 ARG 109 lone 4 91 - 5 - Peak 3583 from aliabs.peaks (3.33, 3.33, 43.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 109 + HD3 ARG 109 OK 100 100 - 100 Peak 3586 from aliabs.peaks (3.82, 3.82, 66.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 110 + HA THR 110 OK 100 100 - 100 Peak 3587 from aliabs.peaks (4.11, 3.82, 66.23 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 110 + HA THR 110 OK 100 100 - 100 - 3.0=100 HA PRO 52 - HA THR 110 OK 40 99 - 40 - 10457=8, 2.3/10642=7...(12) HD3 PRO 33 - HA THR 110 OK 10 72 - 14 - 3601/3.2=2, 424/4.0=1...(5) HA THR 99 - HA THR 110 lone 9 98 - 9 - 3.2/10160=3, 7314/3.0=1 Peak 3588 from aliabs.peaks (1.04, 3.82, 66.23 ppm; 2.88 A): 4 out of 5 assignments used, quality = 0.93: * QG2 THR 110 + HA THR 110 OK 85 100 - 85 - 3.2=73, 7315/3.0=16...(10) QD2 LEU 116 + HA THR 110 OK 26 85 - 30 - 3896/3.2=4, 3597/3.0=3...(14) HB2 LEU 116 + HA THR 110 OK 23 81 - 29 - 3597/3.0=5, 7315/3.0=4...(13) HG3 LYS 114 + HA THR 110 OK 20 85 - 23 - ~10638=4, 3.7/9281=3...(9) HG2 ARG 35 - HA THR 110 lone 3 77 - 4 - Peak 3591 from aliabs.peaks (2.19, 3.82, 66.23 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.82: * HB2 MET 113 + HA THR 110 OK 71 100 - 71 - 1.8/3592=26, 4.1/3590=21...(7) HB2 MET 46 + HA THR 110 OK 17 100 - 17 - 4.0/3589=4, 9291/3.2=3...(6) HB3 PRO 57 + HA THR 110 OK 16 100 - 16 - ~9289=4, ~10451=3...(5) HG2 GLU 75 + HA THR 110 OK 11 81 - 14 - 9291/3.2=3, ~9284=3...(7) HB3 LYS 86 - HA THR 110 lone 4 96 - 4 - HB2 GLN 25 - HA THR 110 lone 4 62 - 6 - 4.6/3585=1 Peak 3592 from aliabs.peaks (2.27, 3.82, 66.23 ppm; 3.99 A): 2 out of 9 assignments used, quality = 0.78: * HB3 MET 113 + HA THR 110 OK 74 100 - 74 - 1.8/3591=24, 4.1/3590=21...(8) HG2 GLU 90 + HA THR 110 OK 17 100 - 17 - 3725/9337=5, 7385/3590=3...(5) HG3 GLU 90 - HA THR 110 poor 8 68 - 11 - 3725/9337=3, 3.0/9280=2...(5) HG3 GLU 142 - HA THR 110 lone 5 100 - 5 - HG3 PRO 129 - HA THR 110 lone 5 92 - 5 - 3725/9337=1, 7385/3590=1 HG2 GLU 131 - HA THR 110 lone 3 100 - 3 - HG2 GLN 62 - HA THR 110 lone 1 85 - 2 - HG3 GLN 62 - HA THR 110 lone 1 81 - 1 - HG2 GLU 120 - HA THR 110 lone 1 77 - 1 - Peak 3593 from aliabs.peaks (3.71, 4.11, 68.41 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.76: * HA THR 107 + HB THR 110 OK 76 100 - 76 - 3452=43, 9241/2.1=27...(7) HA ILE 136 - HB THR 110 lone 9 99 - 9 - 10240/2.1=3, 3460/9286=2...(4) HB THR 74 - HB THR 110 lone 7 100 - 7 - 10240/2.1=2, 7320/4.6=2 HA ILE 91 - HB THR 110 lone 4 100 - 4 - 3460/9286=1 Peak 3595 from aliabs.peaks (3.82, 4.11, 68.41 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 110 + HB THR 110 OK 100 100 - 100 - 3.0=100 HA3 GLY 50 - HB THR 110 OK 11 98 - 11 - 3600/2.1=3, ~1303=2...(5) HA GLN 47 - HB THR 110 lone 5 81 - 6 - 8174=1, 3600/2.1=1 HB2 SER 100 - HB THR 110 lone 2 62 - 4 - 11044/9286=1 Peak 3596 from aliabs.peaks (4.11, 4.11, 68.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 110 + HB THR 110 OK 100 100 - 100 Peak 3597 from aliabs.peaks (1.04, 4.11, 68.41 ppm; 2.89 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 110 + HB THR 110 OK 100 100 - 100 - 2.1=100 QD2 LEU 116 - HB THR 110 OK 27 85 - 32 - 3896/2.1=6, 3588/3.0=4...(14) HB2 LEU 116 - HB THR 110 OK 26 81 - 32 - 3588/3.0=5, ~3872=3...(17) HG3 LYS 114 - HB THR 110 OK 21 85 - 25 - ~10638=6, ~9290=3...(12) HG2 ARG 35 - HB THR 110 lone 3 77 - 4 - Peak 3600 from aliabs.peaks (3.82, 1.04, 21.00 ppm; 2.82 A): 1 out of 4 assignments used, quality = 0.82: * HA THR 110 + QG2 THR 110 OK 82 100 - 82 - 3.2=68, 3.0/7315=15...(10) HA3 GLY 50 - QG2 THR 110 lone 7 98 - 7 - 3595/2.1=2, 7313/4.0=1, ~1303=1 HA GLN 47 - QG2 THR 110 lone 2 81 - 3 - HB2 SER 100 - QG2 THR 110 lone 1 62 - 1 - Peak 3601 from aliabs.peaks (4.11, 1.04, 21.00 ppm; 2.62 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 110 + QG2 THR 110 OK 100 100 - 100 - 2.1=100 HA PRO 52 - QG2 THR 110 OK 17 99 - 17 - 3587/3.2=4, 3.8/9288=2...(10) HD3 PRO 33 - QG2 THR 110 poor 8 72 - 11 - 3.8/9293=2, 424/3.0=1 HA THR 99 - QG2 THR 110 lone 4 98 - 4 - Peak 3602 from aliabs.peaks (1.04, 1.04, 21.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 110 + QG2 THR 110 OK 100 100 - 100 Peak 3605 from aliabs.peaks (4.66, 4.66, 57.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 111 + HA GLN 111 OK 100 100 - 100 Peak 3606 from aliabs.peaks (1.99, 4.66, 57.53 ppm; 4.48 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HA GLN 111 OK 100 100 - 100 - 2.9=100 HG3 PRO 52 + HA GLN 111 OK 77 96 - 80 - 3618=15, 3629/2.9=11...(29) QE MET 11 - HA GLN 111 OK 34 100 - 34 - 42=5, 3.3/36=3...(15) QE MET 113 - HA GLN 111 OK 33 85 - 39 - 9337/5.0=16, 3729/3613=5...(12) HB ILE 56 - HA GLN 111 OK 31 94 - 33 - 3.2/10181=6, ~11023=4...(12) HB3 ARG 124 - HA GLN 111 OK 23 100 - 23 - 3.0/3614=4, ~4207=2...(10) HB3 GLU 90 - HA GLN 111 OK 22 85 - 25 - 3.9/11690=7, 3606=3...(11) HB VAL 63 - HA GLN 111 OK 20 85 - 23 - 3629/2.9=3, ~1804=2...(13) HB2 GLU 142 - HA GLN 111 OK 18 81 - 22 - 1.8/10507=5, 3606=2...(8) QE MET 59 - HA GLN 111 poor 8 68 - 11 - 10409/10181=1 Peak 3607 from aliabs.peaks (1.90, 4.66, 57.53 ppm; 4.40 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + HA GLN 111 OK 100 100 - 100 - 2.9=100 HB3 ARG 140 + HA GLN 111 OK 52 96 - 54 - 1.8/10374=16...(18) HB3 LYS 24 - HA GLN 111 OK 35 100 - 35 - 1.8/11371=6...(16) HB3 LEU 69 - HA GLN 111 OK 34 94 - 36 - 7360/3.6=6, 3607=4...(17) HB3 ARG 89 - HA GLN 111 OK 31 100 - 31 - 4.4/11690=6, 3607=4...(11) HB ILE 101 - HA GLN 111 OK 29 96 - 30 - 3607=4, ~11023=3...(13) HB3 LYS 93 - HA GLN 111 OK 19 94 - 20 - 3607=2, 3.4/3614=2...(6) HB2 MET 59 - HA GLN 111 poor 9 68 - 13 - ~1615=2, 1607/2.9=1...(5) HB2 GLN 62 - HA GLN 111 lone 8 100 - 8 - 11516/5.9=1 HB3 ARG 141 - HA GLN 111 lone 8 85 - 9 - Peak 3608 from aliabs.peaks (2.13, 4.66, 57.53 ppm; 5.12 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 111 + HA GLN 111 OK 100 100 - 100 - 3.9=100 HB VAL 73 - HA GLN 111 OK 30 94 - 32 - 7361/3.6=8, 3631/2.9=7...(8) HB2 GLU 75 - HA GLN 111 OK 29 100 - 29 - 3631/2.9=7, 3649/3.9=6...(7) HB VAL 53 - HA GLN 111 OK 18 100 - 18 - 10627/10178=5...(6) HB2 GLN 133 - HA GLN 111 poor 10 62 - 15 - 3631/2.9=2, 3649/3.9=1...(9) Peak 3609 from aliabs.peaks (2.78, 4.66, 57.53 ppm; 4.80 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 111 + HA GLN 111 OK 100 100 - 100 - 3.9=100 HB3 TYR 119 - HA GLN 111 OK 29 100 - 29 - 3609=7, 7362/3.6=6...(7) HB2 ASP 41 - HA GLN 111 OK 27 77 - 35 - 3609=8, 7362/3.6=6...(10) HB3 ASN 84 - HA GLN 111 OK 23 92 - 25 - 3609=6, 7362/3.6=5...(7) HB3 ASP 41 - HA GLN 111 OK 20 68 - 30 - 1.8/3609=7, 3.8/3613=5...(10) Peak 3614 from aliabs.peaks (1.65, 4.66, 57.53 ppm; 4.64 A): 6 out of 10 assignments used, quality = 0.94: * HB2 LYS 114 + HA GLN 111 OK 74 100 - 74 - 1.8/3615=28, 3741=23...(12) HG2 ARG 140 + HA GLN 111 OK 52 99 - 53 - 2.9/10374=15, 3614=10...(14) HG2 ARG 124 + HA GLN 111 OK 29 99 - 30 - 11485/3.9=4, 3614=4...(10) HG2 ARG 89 + HA GLN 111 OK 16 62 - 25 - 2.8/3607=3, 11485/3.9=3...(8) HB2 PRO 57 + HA GLN 111 OK 13 94 - 14 - 10585/10179=3, 3614=3 HD3 LYS 93 + HA GLN 111 OK 12 68 - 18 - 3614=3, 3.4/3607=2, 3756/3615=1 HB3 LEU 26 - HA GLN 111 lone 8 99 - 9 - ~10919=1, ~10583=1, 3756/3615=1 HD2 LYS 48 - HA GLN 111 poor 7 62 - 11 - 3.0/3615=4, 3614=1 HB VAL 71 - HA GLN 111 lone 6 62 - 9 - 10593/10181=2...(3) HB2 LEU 95 - HA GLN 111 lone 2 62 - 4 - Peak 3615 from aliabs.peaks (1.45, 4.66, 57.53 ppm; 4.31 A): 3 out of 8 assignments used, quality = 0.82: * HB3 LYS 114 + HA GLN 111 OK 69 100 - 69 - 3615=31, 3.9/3613=17...(11) HG LEU 126 + HA GLN 111 OK 28 89 - 31 - ~11592=10, 2.1/10181=10...(7) HG2 LYS 24 + HA GLN 111 OK 21 85 - 25 - 3.0/11371=5, 3.0/3607=3...(10) HG2 LYS 48 - HA GLN 111 poor 9 77 - 12 - 4.9/3613=5, 3615=2, 6457/3613=1 HG12 ILE 91 - HA GLN 111 poor 9 62 - 14 - 3615=4, 8953/11690=2...(4) HB3 LEU 66 - HA GLN 111 poor 8 72 - 11 - 3615=4, 1891/5.0=2, ~1881=1 HB3 LYS 123 - HA GLN 111 lone 6 100 - 7 - 3615=1 HG3 LYS 86 - HA GLN 111 lone 3 85 - 4 - Peak 3616 from aliabs.peaks (3.73, 1.99, 27.32 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.68: * HA LEU 108 + HB2 GLN 111 OK 63 100 - 63 - 3472/3.9=28, 3626/1.8=18...(9) HA LEU 108 + HG3 PRO 52 OK 13 87 - 15 - 10177/9288=4, 3473=3...(5) HA2 GLY 15 - HB2 GLN 111 lone 8 94 - 9 - 10959/4.6=4, 3626/1.8=3 HA2 GLY 15 - HG3 PRO 52 lone 2 78 - 2 - QA GLY 2 - HB2 GLN 111 lone 1 68 - 2 - QA GLY 2 - HG3 PRO 52 lone 1 52 - 1 - Peak 3618 from aliabs.peaks (4.66, 1.99, 27.32 ppm; 4.33 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 2.9=100 HA GLN 111 + HG3 PRO 52 OK 67 87 - 77 - 3606=11, 2.9/3629=11...(29) HA ASN 139 - HB2 GLN 111 OK 25 77 - 32 - 10361=7, 3628/1.8=6...(12) HA MET 11 - HB2 GLN 111 OK 18 68 - 26 - 3.0/29=4, 3.0/23=4...(10) HA ASP 16 - HB2 GLN 111 lone 10 98 - 10 - 10605/3616=3, 3628/1.8=2 HA MET 11 - HG3 PRO 52 lone 3 52 - 6 - HA ASN 139 - HG3 PRO 52 lone 2 60 - 4 - HA ASP 16 - HG3 PRO 52 lone 2 82 - 2 - Peak 3619 from aliabs.peaks (1.99, 1.99, 27.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 111 + HB2 GLN 111 OK 100 100 - 100 HG3 PRO 52 + HG3 PRO 52 OK 80 80 - 100 Peak 3620 from aliabs.peaks (1.90, 1.99, 27.32 ppm; 2.99 A): 2 out of 20 assignments used, quality = 1.00: * HB3 GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 1.8=100 HB3 GLN 111 + HG3 PRO 52 OK 50 87 - 58 - 3629=12, 3.0/3638=5...(26) HB3 ARG 89 - HG3 PRO 52 OK 31 86 - 36 - 2872/2.3=4, 2868/1.8=4...(22) HB2 GLN 62 - HG3 PRO 52 OK 23 87 - 26 - 1759/2.3=4, ~1366=2...(13) HB3 ARG 140 - HB2 GLN 111 OK 22 96 - 23 - ~10374=4, 3607/2.9=2...(9) HB3 LYS 24 - HB2 GLN 111 OK 18 100 - 18 - 11328/1.8=2, ~11371=2...(7) HB ILE 101 - HB2 GLN 111 OK 17 96 - 18 - 2.1/11023=2, 3.2/11023=2...(5) HB3 LEU 69 - HB2 GLN 111 OK 16 94 - 17 - 7360/4.6=2, 3607/2.9=2...(4) HB3 ARG 89 - HB2 GLN 111 OK 14 100 - 14 - 3607/2.9=1, 3639/3.0=1 HB3 LYS 93 - HB2 GLN 111 lone 8 94 - 8 - HB2 MET 59 - HB2 GLN 111 lone 6 68 - 8 - 1.8/1615=1 HB3 ARG 140 - HG3 PRO 52 lone 5 80 - 7 - HB2 GLN 62 - HB2 GLN 111 lone 5 100 - 5 - HB ILE 101 - HG3 PRO 52 lone 4 80 - 5 - HB2 MET 59 - HG3 PRO 52 lone 3 52 - 5 - HB3 ARG 141 - HB2 GLN 111 lone 3 85 - 3 - HB3 LEU 69 - HG3 PRO 52 lone 2 78 - 2 - HB3 LYS 24 - HG3 PRO 52 lone 1 87 - 2 - HB3 LYS 93 - HG3 PRO 52 lone 1 78 - 1 - HB3 ARG 141 - HG3 PRO 52 lone 0 68 - 1 - Peak 3621 from aliabs.peaks (2.13, 1.99, 27.32 ppm; 3.69 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 3.0=100 HG2 GLN 111 + HG3 PRO 52 OK 54 87 - 63 - 3638=12, 3.0/3629=8...(26) HB VAL 73 - HB2 GLN 111 OK 24 94 - 25 - 3631/1.8=5, 3649/3.0=3...(13) HB2 GLU 75 - HB2 GLN 111 OK 23 100 - 23 - 3631/1.8=4, 3649/3.0=3...(8) HB VAL 53 - HB2 GLN 111 OK 10 100 - 10 - 3631/1.8=2, 3608/2.9=2...(4) HB2 GLN 133 - HB2 GLN 111 lone 5 62 - 8 - 3631/1.8=1 HB2 GLU 75 - HG3 PRO 52 lone 3 86 - 4 - HB VAL 73 - HG3 PRO 52 lone 3 78 - 4 - HB2 GLN 133 - HG3 PRO 52 lone 2 48 - 5 - ~10315=1 HB VAL 53 - HG3 PRO 52 lone 2 86 - 2 - Peak 3622 from aliabs.peaks (2.78, 1.99, 27.32 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: * HG3 GLN 111 + HB2 GLN 111 OK 100 100 - 100 - 3.0=100 HG3 GLN 111 + HG3 PRO 52 OK 80 87 - 92 - ~1379=17, ~1379=14...(28) HB3 TYR 119 + HB2 GLN 111 OK 58 100 - 58 - 3632/1.8=10, 3641/3.0=9...(11) HB3 ASN 84 - HB2 GLN 111 OK 41 92 - 44 - 3632/1.8=7, 7362/4.6=7...(10) HB2 ASP 41 - HB2 GLN 111 OK 37 77 - 48 - 7362/4.6=8, 3609/2.9=8...(13) HB3 ASP 41 - HB2 GLN 111 OK 30 68 - 45 - ~3609=7, ~3632=6...(12) HB3 TYR 119 - HG3 PRO 52 OK 13 85 - 15 - ~3989=5, ~3989=3...(4) HB3 ASN 84 - HG3 PRO 52 lone 6 75 - 8 - HB2 ASP 41 - HG3 PRO 52 lone 4 60 - 7 - 3609/3618=1 HB3 ASP 41 - HG3 PRO 52 lone 3 52 - 5 - Peak 3626 from aliabs.peaks (3.73, 1.90, 27.32 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.81: * HA LEU 108 + HB3 GLN 111 OK 78 100 - 78 - 3472/3.9=39, 3616/1.8=36...(10) HA2 GLY 15 + HB3 GLN 111 OK 13 94 - 13 - 10959/4.6=6, 3616/1.8=5 QA GLY 2 - HB3 GLN 111 lone 2 68 - 3 - Peak 3628 from aliabs.peaks (4.66, 1.90, 27.32 ppm; 5.00 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 2.9=100 HA ASN 139 - HB3 GLN 111 OK 31 77 - 41 - 10361/1.8=7, 3.0/10494=6...(14) HA MET 11 - HB3 GLN 111 OK 19 68 - 28 - ~18=4, ~24=4, 3618/1.8=4...(10) HA ASP 16 - HB3 GLN 111 OK 11 98 - 11 - 10605/3626=4, 3618/1.8=2...(4) Peak 3629 from aliabs.peaks (1.99, 1.90, 27.32 ppm; 3.45 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 1.8=100 HG3 PRO 52 + HB3 GLN 111 OK 65 96 - 67 - 3620=8, ~1379=7...(27) HB ILE 56 - HB3 GLN 111 OK 20 94 - 21 - ~11023=3, 3.2/11024=2...(11) QE MET 11 - HB3 GLN 111 OK 19 100 - 19 - 42/2.9=4, 10592/3626=2...(10) HB VAL 63 - HB3 GLN 111 OK 17 85 - 20 - ~9867=3, ~1804=2...(9) HB3 ARG 124 - HB3 GLN 111 OK 13 100 - 13 - ~4207=1, 3638/3.0=1...(7) HB2 GLU 142 - HB3 GLN 111 OK 12 81 - 14 - ~10380=2, ~10507=2, ~4847=1 QE MET 113 - HB3 GLN 111 OK 11 85 - 13 - 7359/4.6=2, 3606/2.9=2 HB3 GLU 90 - HB3 GLN 111 OK 11 85 - 12 - 3.0/2916=2, 3.9/7033=1...(4) QE MET 59 - HB3 GLN 111 lone 6 68 - 8 - Peak 3630 from aliabs.peaks (1.90, 1.90, 27.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 111 + HB3 GLN 111 OK 100 100 - 100 Peak 3631 from aliabs.peaks (2.13, 1.90, 27.32 ppm; 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 3.0=100 HB VAL 73 - HB3 GLN 111 OK 31 94 - 33 - 3621/1.8=5, 3649/3.0=5...(13) HB2 GLU 75 - HB3 GLN 111 OK 29 100 - 29 - 3649/3.0=5, 3621/1.8=5...(14) HB VAL 53 - HB3 GLN 111 OK 14 100 - 14 - 3.0/9846=3, 3608/2.9=2...(4) HB2 GLN 133 - HB3 GLN 111 poor 7 62 - 11 - 3608/2.9=1, 3649/3.0=1 Peak 3632 from aliabs.peaks (2.78, 1.90, 27.32 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 111 + HB3 GLN 111 OK 100 100 - 100 - 3.0=100 HB3 TYR 119 + HB3 GLN 111 OK 56 100 - 56 - 3641/3.0=9, 7362/4.6=8...(11) HB3 ASN 84 - HB3 GLN 111 OK 39 92 - 42 - 7362/4.6=7, 3641/3.0=6...(11) HB2 ASP 41 - HB3 GLN 111 OK 35 77 - 46 - 7362/4.6=8, 3609/2.9=8...(13) HB3 ASP 41 - HB3 GLN 111 OK 28 68 - 42 - ~3609=7, ~3609=6...(12) Peak 3637 from aliabs.peaks (4.66, 2.13, 32.10 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.9=100 HA ASN 139 - HG2 GLN 111 OK 17 77 - 22 - 3628/3.0=6, 10361/3.0=6...(6) HA MET 11 - HG2 GLN 111 OK 12 68 - 17 - 3628/3.0=4, 3618/3.0=3...(8) HA ASP 16 - HG2 GLN 111 lone 6 98 - 6 - 3628/3.0=2, 3618/3.0=2 Peak 3638 from aliabs.peaks (1.99, 2.13, 32.10 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 + HG2 GLN 111 OK 59 96 - 62 - 3621=12, 3629/3.0=8...(26) HB ILE 56 - HG2 GLN 111 OK 20 94 - 22 - ~11023=2, 3629/3.0=2...(13) HB VAL 63 - HG2 GLN 111 OK 18 85 - 21 - 2.1/9867=6, 2.1/9872=3...(8) QE MET 11 - HG2 GLN 111 OK 15 100 - 15 - 42/3.9=4, 3629/3.0=2...(5) HB3 ARG 124 - HG2 GLN 111 OK 14 100 - 14 - 3.0/11485=3, 3629/3.0=1...(5) QE MET 113 - HG2 GLN 111 poor 10 85 - 11 - 3606/3.9=2, 7328/4.7=1...(5) HB3 GLU 90 - HG2 GLN 111 poor 9 85 - 10 - 3629/3.0=1, 3606/3.9=1 HB2 GLU 142 - HG2 GLN 111 lone 8 81 - 9 - 3629/3.0=1 QE MET 59 - HG2 GLN 111 lone 5 68 - 8 - 9251/10165=1 Peak 3639 from aliabs.peaks (1.90, 2.13, 32.10 ppm; 3.42 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 3.0=100 HB3 ARG 140 - HG2 GLN 111 OK 18 96 - 19 - 2.9/11485=4, 3607/3.9=3...(5) HB3 LYS 24 - HG2 GLN 111 OK 17 100 - 17 - 3.0/11316=4, 11328/3.0=2...(7) HB3 LEU 69 - HG2 GLN 111 OK 15 94 - 16 - 3.2/9931=2, 3607/3.9=2...(5) HB ILE 101 - HG2 GLN 111 OK 15 96 - 15 - ~11023=2, 3620/3.0=2...(6) HB3 ARG 89 - HG2 GLN 111 OK 13 100 - 13 - 2.8/11485=3, 3607/3.9=2 HB3 LYS 93 - HG2 GLN 111 lone 8 94 - 8 - 3.4/11485=1 HB2 MET 59 - HG2 GLN 111 lone 5 68 - 8 - HB2 GLN 62 - HG2 GLN 111 lone 5 100 - 5 - HB3 ARG 141 - HG2 GLN 111 lone 2 85 - 3 - Peak 3640 from aliabs.peaks (2.13, 2.13, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 111 + HG2 GLN 111 OK 100 100 - 100 Peak 3641 from aliabs.peaks (2.78, 2.13, 32.10 ppm; 4.63 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 111 + HG2 GLN 111 OK 100 100 - 100 - 1.8=100 HB3 TYR 119 - HG2 GLN 111 OK 35 100 - 35 - ~3993=5, ~3993=5...(11) HB3 ASN 84 - HG2 GLN 111 OK 23 92 - 25 - 3609/3.9=3, ~2557=3...(11) HB2 ASP 41 - HG2 GLN 111 OK 18 77 - 23 - 3609/3.9=5, 7331/4.7=3...(9) HB3 ASP 41 - HG2 GLN 111 OK 12 68 - 18 - 3609/3.9=3, ~3632=2...(8) Peak 3646 from aliabs.peaks (4.66, 2.78, 32.10 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.9=100 HA ASN 139 - HG3 GLN 111 OK 33 77 - 43 - 3628/3.0=9, 4.8/10348=8...(10) HA MET 11 - HG3 GLN 111 OK 20 68 - 29 - 3628/3.0=6, 3637/1.8=4...(8) HA ASP 16 - HG3 GLN 111 OK 11 98 - 11 - 3628/3.0=3, 3637/1.8=2 Peak 3647 from aliabs.peaks (1.99, 2.78, 32.10 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: * HB2 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 + HG3 GLN 111 OK 89 96 - 92 - ~1379=17, ~1379=14...(28) HB ILE 56 + HG3 GLN 111 OK 52 94 - 55 - ~11024=9, ~11484=8...(15) HB VAL 63 - HG3 GLN 111 OK 39 85 - 45 - ~9867=9, ~9872=6...(15) QE MET 11 - HG3 GLN 111 OK 38 100 - 37 - 42/3.9=9, 7328/4.7=4...(11) HB3 ARG 124 - HG3 GLN 111 OK 31 100 - 31 - ~11485=6, ~4207=4...(9) QE MET 113 - HG3 GLN 111 OK 28 85 - 33 - 7328/4.7=4, 3606/3.9=4...(15) HB3 GLU 90 - HG3 GLN 111 OK 24 85 - 27 - ~2916=3, 3606/3.9=3...(13) HB2 GLU 142 - HG3 GLN 111 OK 21 81 - 25 - ~4854=3, 3606/3.9=2...(13) QE MET 59 - HG3 GLN 111 OK 15 68 - 22 - 9251/9254=4...(6) Peak 3648 from aliabs.peaks (1.90, 2.78, 32.10 ppm; 6.72 A): 3 out of 10 assignments used, quality = 1.00: * HB3 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 3.0=100 HB3 ARG 140 + HG3 GLN 111 OK 46 96 - 48 - ~11485=8, 3607/3.9=7...(22) HB3 LYS 24 + HG3 GLN 111 OK 45 100 - 45 - ~11316=13, 3607/3.9=5...(13) HB3 LEU 69 - HG3 GLN 111 OK 44 94 - 47 - 7329/4.7=6, 3607/3.9=5...(18) HB ILE 101 - HG3 GLN 111 OK 44 96 - 45 - ~11023=6, ~11025=6...(19) HB3 ARG 89 - HG3 GLN 111 OK 34 100 - 33 - ~11485=5, 3607/3.9=5...(15) HB3 LYS 93 - HG3 GLN 111 OK 23 94 - 24 - ~11485=3, 3607/3.9=3...(9) HB2 MET 59 - HG3 GLN 111 OK 18 68 - 26 - ~1615=3, ~1599=3...(13) HB2 GLN 62 - HG3 GLN 111 OK 16 100 - 16 - 11516/3.5=4, 3639/1.8=1...(6) HB3 ARG 141 - HG3 GLN 111 lone 8 85 - 10 - 3607/3.9=1 Peak 3649 from aliabs.peaks (2.13, 2.78, 32.10 ppm; 5.06 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 111 + HG3 GLN 111 OK 100 100 - 100 - 1.8=100 HB2 GLU 75 - HG3 GLN 111 OK 37 100 - 37 - 3631/3.0=6, 3621/3.0=5...(15) HB VAL 73 - HG3 GLN 111 OK 37 94 - 39 - 3631/3.0=7, 3621/3.0=5...(12) HB VAL 53 - HG3 GLN 111 OK 16 100 - 16 - 3631/3.0=3, 3608/3.9=3...(8) HB2 GLN 133 - HG3 GLN 111 poor 9 62 - 14 - 4.5/9603=2, 3631/3.0=2...(5) Peak 3650 from aliabs.peaks (2.78, 2.78, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 111 + HG3 GLN 111 OK 100 100 - 100 Peak 3654 from aliabs.peaks (9.19, 3.93, 62.06 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 112 + HA TYR 112 OK 100 100 - 100 - 2.9=100 Peak 3655 from aliabs.peaks (3.93, 3.93, 62.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 112 + HA TYR 112 OK 100 100 - 100 Peak 3656 from aliabs.peaks (3.25, 3.93, 62.06 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 112 + HA TYR 112 OK 100 100 - 100 - 2.9=100 HD2 PRO 52 + HA TYR 112 OK 46 72 - 63 - 3656=14, 3675/2.9=9...(16) HD2 ARG 89 - HA TYR 112 OK 19 98 - 19 - 3656=5, 7366/2.9=4...(5) Peak 3657 from aliabs.peaks (3.41, 3.93, 62.06 ppm; 4.93 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 112 + HA TYR 112 OK 100 100 - 100 - 2.9=100 HA THR 74 + HA TYR 112 OK 76 100 - 76 - 8560/5.6=19, 3657=12...(20) HD2 PRO 98 + HA TYR 112 OK 54 68 - 81 - 3657=12, 3668/2.9=9...(27) Peak 3658 from aliabs.peaks (6.93, 3.93, 62.06 ppm; 5.27 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 112 + HA TYR 112 OK 100 100 - 100 - 3.7=100 QD PHE 23 - HA TYR 112 OK 32 62 - 51 - 3658=12, 3669/2.9=10...(11) HD2 HIS 10 - HA TYR 112 lone 3 68 - 5 - Peak 3665 from aliabs.peaks (9.19, 3.25, 38.88 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 4.0=100 Peak 3666 from aliabs.peaks (3.93, 3.25, 38.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 2.9=100 HD2 PRO 129 + HB2 TYR 112 OK 57 99 - 57 - 3674/1.8=15, ~4404=8...(15) HA2 GLY 143 - HB2 TYR 112 lone 9 99 - 9 - 3674/1.8=2, 9276/3527=2 Peak 3667 from aliabs.peaks (3.25, 3.25, 38.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 112 + HB2 TYR 112 OK 100 100 - 100 Peak 3668 from aliabs.peaks (3.41, 3.25, 38.88 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 1.8=100 HA THR 74 + HB2 TYR 112 OK 86 100 - 86 - 8560/4.5=41, 3657/2.9=16...(16) HD2 PRO 98 + HB2 TYR 112 OK 62 68 - 92 - ~3271=14, ~3263=14...(23) Peak 3669 from aliabs.peaks (6.93, 3.25, 38.88 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 112 + HB2 TYR 112 OK 100 100 - 100 - 2.7=100 QD PHE 23 - HB2 TYR 112 OK 29 62 - 46 - 3658/2.9=10, 7368/4.0=8...(10) HD2 HIS 10 - HB2 TYR 112 lone 3 68 - 4 - Peak 3672 from aliabs.peaks (3.61, 3.41, 38.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.86: * HA ARG 109 + HB3 TYR 112 OK 85 100 - 85 - 7354/4.0=42...(10) HA LYS 61 + HB3 TYR 112 OK 10 89 - 11 - 7373/4.7=2, 7354/4.0=2...(5) HA2 GLY 31 - HB3 TYR 112 lone 7 99 - 7 - 7373/4.7=2, 7354/4.0=2 Peak 3674 from aliabs.peaks (3.93, 3.41, 38.88 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 112 + HB3 TYR 112 OK 100 100 - 100 - 2.9=100 HD2 PRO 129 + HB3 TYR 112 OK 56 99 - 57 - 3666/1.8=15, ~4404=8...(15) HA2 GLY 143 - HB3 TYR 112 lone 7 99 - 7 - 3666/1.8=2, 9276/3672=2 Peak 3675 from aliabs.peaks (3.25, 3.41, 38.88 ppm; 6.21 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TYR 112 + HB3 TYR 112 OK 100 100 - 100 - 1.8=100 HD2 PRO 52 + HB3 TYR 112 OK 57 72 - 79 - 3656/2.9=13, ~1370=12...(15) HD2 ARG 89 - HB3 TYR 112 OK 27 98 - 27 - 3656/2.9=6, 5652/2.7=4...(10) Peak 3676 from aliabs.peaks (3.41, 3.41, 38.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 112 + HB3 TYR 112 OK 100 100 - 100 Peak 3677 from aliabs.peaks (6.93, 3.41, 38.88 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 112 + HB3 TYR 112 OK 100 100 - 100 - 2.7=100 QD PHE 23 - HB3 TYR 112 OK 38 62 - 61 - 3669/1.8=14, 3658/2.9=12...(10) HD2 HIS 10 - HB3 TYR 112 lone 4 68 - 6 - 5656/4.5=1, 3658/2.9=1 Peak 3681 from aliabs.peaks (4.00, 4.00, 60.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 113 + HA MET 113 OK 100 100 - 100 Peak 3682 from aliabs.peaks (2.19, 4.00, 60.14 ppm; 4.34 A): 2 out of 6 assignments used, quality = 1.00: * HB2 MET 113 + HA MET 113 OK 100 100 - 100 - 3.0=100 HB2 MET 46 + HA MET 113 OK 49 100 - 49 - 3700/3.0=7, 7384/3.0=7...(16) HB3 PRO 57 - HA MET 113 OK 42 100 - 42 - 3700/3.0=5, 3716/3.7=5...(17) HG2 GLU 75 - HA MET 113 OK 30 81 - 36 - 5.0/11700=6, 3700/3.0=5...(14) HB3 LYS 86 - HA MET 113 OK 22 96 - 23 - 3700/3.0=3, 3708/3.7=3...(9) HB2 GLN 25 - HA MET 113 lone 2 62 - 4 - Peak 3683 from aliabs.peaks (2.27, 4.00, 60.14 ppm; 4.27 A): 3 out of 9 assignments used, quality = 1.00: * HB3 MET 113 + HA MET 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 90 + HA MET 113 OK 89 100 - 89 - ~3702=12, 3692/3.0=12...(32) HG3 GLU 90 + HA MET 113 OK 51 68 - 76 - 2942/3.0=8, 3.0/3686=8...(27) HG3 PRO 129 - HA MET 113 OK 40 92 - 43 - 3692/3.0=4, 7385/3.0=4...(19) HG3 GLU 142 - HA MET 113 OK 27 100 - 27 - 9567/3.7=4, 3.0/3686=3...(16) HG2 GLU 131 - HA MET 113 OK 20 100 - 20 - 9567/3.7=4, ~4465=2...(8) HG2 GLN 62 - HA MET 113 OK 11 85 - 12 - 8345/9319=2, 8345/9319=1 HG3 GLN 62 - HA MET 113 poor 10 81 - 12 - 8345/9319=1, 8345/9319=1 HG2 GLU 120 - HA MET 113 lone 3 77 - 5 - Peak 3684 from aliabs.peaks (2.25, 4.00, 60.14 ppm; 4.42 A): 2 out of 7 assignments used, quality = 1.00: * HG2 MET 113 + HA MET 113 OK 100 100 - 100 - 3.7=100 HG3 GLU 90 + HA MET 113 OK 83 96 - 87 - 3702/3.0=19, 3693/3.0=16...(28) HG3 PRO 129 - HA MET 113 OK 37 77 - 48 - 3702/3.0=5, 3693/3.0=5...(21) HG3 GLN 62 - HA MET 113 OK 13 89 - 15 - 8345/9319=2, 3693/3.0=2...(5) HG2 GLN 62 - HA MET 113 OK 12 85 - 14 - 3693/3.0=2, 3718/3.7=1...(7) HB3 PRO 12 - HA MET 113 lone 5 77 - 6 - 9384/11700=3 HG2 GLU 37 - HA MET 113 lone 2 62 - 3 - 10768/9309=1 Peak 3685 from aliabs.peaks (2.75, 4.00, 60.14 ppm; 4.63 A): 1 out of 10 assignments used, quality = 1.00: * HG3 MET 113 + HA MET 113 OK 100 100 - 100 - 3.7=100 HE2 LYS 76 - HA MET 113 OK 43 92 - 47 - 3703/3.0=5, 3694/3.0=5...(17) HE2 LYS 114 - HA MET 113 OK 36 62 - 57 - 1.8/3821=8, 7387/3.0=8...(16) HE3 LYS 76 - HA MET 113 OK 32 72 - 45 - 3703/3.0=4, 3694/3.0=4...(17) HB3 ASP 40 - HA MET 113 OK 22 98 - 23 - 4.4/3687=4, 10749/3.6=4...(7) HB3 PHE 43 - HA MET 113 OK 21 100 - 21 - ~971=4, ~971=3...(8) HB2 ASN 54 - HA MET 113 OK 13 99 - 12 - ~10247=3, 3703/3.0=1...(5) HB2 ASN 96 - HA MET 113 OK 12 99 - 12 - 3711/3.7=2, 3703/3.0=2...(4) HB3 ASP 137 - HA MET 113 poor 9 85 - 10 - 3.8/10475=1, 3694/3.0=1 HB3 ASP 16 - HA MET 113 lone 3 98 - 3 - Peak 3686 from aliabs.peaks (2.00, 4.00, 60.14 ppm; 4.35 A): 3 out of 10 assignments used, quality = 1.00: * QE MET 113 + HA MET 113 OK 97 100 - 97 - 5.4=52, 3722/3.0=38...(21) HB3 GLU 90 + HA MET 113 OK 88 100 - 88 - 2928/3.0=15, 3.0/3684=13...(30) HB2 GLU 90 + HA MET 113 OK 63 72 - 87 - 3.0/3684=13, 3.0/3683=10...(32) HB VAL 63 - HA MET 113 OK 23 100 - 23 - ~9873=4, 3695/3.0=3...(8) HG3 GLU 122 - HA MET 113 OK 20 89 - 23 - 4088=3, 1.8/4081=3...(12) HG3 PRO 52 - HA MET 113 OK 15 99 - 15 - ~7379=5, 7388/3.0=2...(5) HB2 GLN 111 - HA MET 113 OK 13 85 - 15 - 7388/3.0=3, 11022/9319=3...(7) QE MET 59 - HA MET 113 OK 12 99 - 12 - 10563=1, 7388/3.0=1...(5) HB3 ARG 124 - HA MET 113 poor 10 81 - 12 - 8735/9319=3, 3.8/10256=2 QE MET 11 - HA MET 113 poor 9 89 - 10 - 10664/3.0=4 Peak 3688 from aliabs.peaks (3.82, 2.19, 33.08 ppm; 5.14 A): 4 out of 4 assignments used, quality = 0.93: * HA THR 110 + HB2 MET 113 OK 87 100 - 87 - 3590/4.1=34, 3592/1.8=33...(7) HA3 GLY 50 + HB2 MET 113 OK 32 98 - 32 - 3697/1.8=9, 7374/4.1=8...(6) HB2 SER 100 + HB2 MET 113 OK 13 62 - 20 - 10196/3.0=4, 3697/1.8=4...(10) HA GLN 47 + HB2 MET 113 OK 10 81 - 13 - 2.9/6400=6, 3697/1.8=3...(4) Peak 3689 from aliabs.peaks (8.87, 2.19, 33.08 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HB2 MET 113 OK 100 100 - 100 - 4.1=100 Peak 3690 from aliabs.peaks (4.00, 2.19, 33.08 ppm; 6.72 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HB2 MET 113 OK 100 100 - 100 - 3.0=100 HA LYS 114 + HB2 MET 113 OK 91 100 - 92 - 3.0/3696=28, ~7399=19...(24) HB2 SER 138 - HB2 MET 113 OK 44 100 - 44 - 3715/3.0=5, 3707/3.0=5...(12) HB3 SER 138 - HB2 MET 113 OK 44 100 - 44 - 3715/3.0=5, 3707/3.0=5...(12) HB3 SER 127 - HB2 MET 113 OK 39 100 - 40 - ~10193=8, ~4322=5...(10) HA LEU 69 - HB2 MET 113 OK 29 85 - 34 - 3723/4.2=5, ~2012=4...(12) HA GLU 122 - HB2 MET 113 OK 18 68 - 27 - ~4066=3, 3723/4.2=3...(13) HB3 SER 100 - HB2 MET 113 OK 18 68 - 26 - ~10196=5, 1.8/3688=4...(8) HB2 SER 103 - HB2 MET 113 lone 4 68 - 6 - Peak 3691 from aliabs.peaks (2.19, 2.19, 33.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 113 + HB2 MET 113 OK 100 100 - 100 Peak 3692 from aliabs.peaks (2.27, 2.19, 33.08 ppm; 3.33 A): 3 out of 9 assignments used, quality = 1.00: * HB3 MET 113 + HB2 MET 113 OK 100 100 - 100 - 1.8=100 HG2 GLU 90 + HB2 MET 113 OK 86 100 - 86 - ~3702=11, ~3702=10...(42) HG3 GLU 90 + HB2 MET 113 OK 50 68 - 74 - 2942/1.8=8, 3.0/3695=6...(36) HG3 PRO 129 - HB2 MET 113 OK 29 92 - 31 - ~4395=3, 3709/3.0=3...(17) HG3 GLU 142 - HB2 MET 113 OK 21 100 - 21 - 3.0/3695=2, 9567/3.0=2...(12) HG2 GLU 131 - HB2 MET 113 OK 14 100 - 14 - 9567/3.0=2, ~4465=2...(6) HG2 GLN 62 - HB2 MET 113 lone 7 85 - 8 - HG3 GLN 62 - HB2 MET 113 lone 6 81 - 8 - HG2 GLU 120 - HB2 MET 113 lone 3 77 - 3 - Peak 3693 from aliabs.peaks (2.25, 2.19, 33.08 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HG2 MET 113 + HB2 MET 113 OK 100 100 - 100 - 3.0=100 HG3 GLU 90 + HB2 MET 113 OK 76 96 - 79 - 3702/1.8=18, 3718/3.0=10...(36) HG3 PRO 129 - HB2 MET 113 OK 25 77 - 32 - 3702/1.8=5, 3684/3.0=3...(16) HG3 GLN 62 - HB2 MET 113 lone 8 89 - 9 - 3702/1.8=1, 3718/3.0=1 HG2 GLN 62 - HB2 MET 113 lone 8 85 - 9 - 3702/1.8=1 HB3 PRO 12 - HB2 MET 113 lone 3 77 - 4 - HG2 GLU 37 - HB2 MET 113 lone 1 62 - 1 - Peak 3694 from aliabs.peaks (2.75, 2.19, 33.08 ppm; 5.51 A): 2 out of 10 assignments used, quality = 1.00: * HG3 MET 113 + HB2 MET 113 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HB2 MET 113 OK 57 92 - 62 - 3703/1.8=8, 3711/3.0=7...(28) HE3 LYS 76 - HB2 MET 113 OK 44 72 - 61 - ~3703=6, ~3703=6...(28) HE2 LYS 114 - HB2 MET 113 OK 39 62 - 62 - 7.0/3696=11, 7387/4.1=8...(20) HB3 PHE 43 - HB2 MET 113 OK 37 100 - 37 - 3.0/971=10, 3703/1.8=5...(13) HB3 ASP 40 - HB2 MET 113 OK 32 98 - 32 - 4.4/3696=5, 10749/4.7=5...(13) HB2 ASN 96 - HB2 MET 113 OK 21 99 - 21 - 3711/3.0=3, 3727/4.2=3...(8) HB2 ASN 54 - HB2 MET 113 OK 17 99 - 17 - 3703/1.8=2, 3685/3.0=2...(9) HB3 ASP 137 - HB2 MET 113 OK 12 85 - 13 - 3703/1.8=1, 3685/3.0=1...(6) HB3 ASP 16 - HB2 MET 113 lone 4 98 - 4 - Peak 3695 from aliabs.peaks (2.00, 2.19, 33.08 ppm; 3.91 A): 3 out of 10 assignments used, quality = 1.00: * QE MET 113 + HB2 MET 113 OK 97 100 - 97 - 4.2=84, 3722/4.1=24...(15) HB3 GLU 90 + HB2 MET 113 OK 92 100 - 92 - 2928/1.8=17, 3.0/3693=13...(38) HB2 GLU 90 + HB2 MET 113 OK 67 72 - 92 - 3.0/3693=13, ~2928=12...(40) HB VAL 63 - HB2 MET 113 OK 25 100 - 25 - 2.1/9873=6, 2.1/9830=4...(8) HG3 GLU 122 - HB2 MET 113 OK 14 89 - 16 - 4088/3.0=2, 3704/1.8=2...(8) HB2 GLN 111 - HB2 MET 113 OK 10 85 - 12 - 7388/4.1=2, 3704/1.8=2...(8) HG3 PRO 52 - HB2 MET 113 lone 10 99 - 10 - 9280/3591=2, 7388/4.1=1...(6) QE MET 11 - HB2 MET 113 poor 9 89 - 10 - 10664=5, 3704/1.8=1 QE MET 59 - HB2 MET 113 lone 8 99 - 8 - 10563/3.0=1, 3704/1.8=1 HB3 ARG 124 - HB2 MET 113 lone 5 81 - 6 - Peak 3697 from aliabs.peaks (3.82, 2.27, 33.08 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.94: * HA THR 110 + HB3 MET 113 OK 90 100 - 90 - 3590/4.1=35, 3592=33...(8) HA3 GLY 50 + HB3 MET 113 OK 33 98 - 33 - 3688/1.8=9, 7374/4.1=8...(6) HB2 SER 100 + HB3 MET 113 OK 13 62 - 21 - 10196/3.0=4, 3688/1.8=4...(9) HA GLN 47 - HB3 MET 113 poor 10 81 - 12 - ~6400=4, 3688/1.8=3...(4) Peak 3698 from aliabs.peaks (8.87, 2.27, 33.08 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HB3 MET 113 OK 100 100 - 100 - 4.1=100 Peak 3699 from aliabs.peaks (4.00, 2.27, 33.08 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HB3 MET 113 OK 100 100 - 100 - 3.0=100 HA LYS 114 + HB3 MET 113 OK 80 100 - 80 - 3.0/7399=18, ~3696=14...(24) HB2 SER 138 - HB3 MET 113 OK 32 100 - 32 - 3690/1.8=4, 3715/3.0=4...(12) HB3 SER 138 - HB3 MET 113 OK 32 100 - 32 - 3690/1.8=4, 3715/3.0=4...(12) HB3 SER 127 - HB3 MET 113 OK 29 100 - 29 - ~10193=4, ~4322=3...(13) HA LEU 69 - HB3 MET 113 OK 21 85 - 25 - 3723/4.2=4, 8729/9323=3...(13) HA GLU 122 - HB3 MET 113 OK 13 68 - 19 - 3690/1.8=2, 3723/4.2=2...(11) HB3 SER 100 - HB3 MET 113 OK 12 68 - 17 - 1.8/3697=3, ~10196=3...(8) HB2 SER 103 - HB3 MET 113 lone 2 68 - 3 - Peak 3700 from aliabs.peaks (2.19, 2.27, 33.08 ppm; 3.13 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 113 + HB3 MET 113 OK 100 100 - 100 - 1.8=100 HB2 MET 46 - HB3 MET 113 OK 30 100 - 30 - 3708/3.0=4, 3716/3.0=4...(13) HB3 PRO 57 - HB3 MET 113 OK 25 100 - 25 - 3708/3.0=3, 3716/3.0=3...(13) HG2 GLU 75 - HB3 MET 113 OK 17 81 - 20 - 3682/3.0=3, 3716/3.0=3...(11) HB3 LYS 86 - HB3 MET 113 OK 15 96 - 15 - 3708/3.0=2, 3716/3.0=2...(5) HB2 GLN 25 - HB3 MET 113 lone 2 62 - 3 - Peak 3701 from aliabs.peaks (2.27, 2.27, 33.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 113 + HB3 MET 113 OK 100 100 - 100 Peak 3702 from aliabs.peaks (2.25, 2.27, 33.08 ppm; 2.68 A): 2 out of 7 assignments used, quality = 0.95: * HG2 MET 113 + HB3 MET 113 OK 85 100 - 85 - 3.0=72, 3706/4.1=9...(18) HG3 GLU 90 + HB3 MET 113 OK 68 96 - 71 - 2942=16, 3693/1.8=10...(37) HG3 PRO 129 - HB3 MET 113 OK 21 77 - 27 - 3693/1.8=3, 1.8/4395=3...(11) HG3 GLN 62 - HB3 MET 113 lone 6 89 - 7 - HG2 GLN 62 - HB3 MET 113 lone 6 85 - 7 - HB3 PRO 12 - HB3 MET 113 lone 2 77 - 2 - HG2 GLU 37 - HB3 MET 113 lone 0 62 - 1 - Peak 3703 from aliabs.peaks (2.75, 2.27, 33.08 ppm; 4.49 A): 2 out of 10 assignments used, quality = 1.00: * HG3 MET 113 + HB3 MET 113 OK 100 100 - 100 - 3.0=100 HE2 LYS 76 + HB3 MET 113 OK 48 92 - 52 - 3694/1.8=6, 3711/3.0=6...(26) HE3 LYS 76 - HB3 MET 113 OK 36 72 - 50 - 3694/1.8=5, ~3694=4...(26) HE2 LYS 114 - HB3 MET 113 OK 31 62 - 49 - 7387/4.1=6, 3694/1.8=6...(18) HB3 PHE 43 - HB3 MET 113 OK 29 100 - 29 - ~971=5, 3694/1.8=4...(13) HB3 ASP 40 - HB3 MET 113 OK 23 98 - 24 - 4.4/3705=4, 10749/4.7=3...(7) HB2 ASN 96 - HB3 MET 113 OK 16 99 - 16 - 3711/3.0=2, 3727/4.2=2...(8) HB2 ASN 54 - HB3 MET 113 OK 12 99 - 12 - 3694/1.8=2, 3711/3.0=1...(5) HB3 ASP 137 - HB3 MET 113 poor 9 85 - 10 - 3694/1.8=1 HB3 ASP 16 - HB3 MET 113 lone 3 98 - 3 - Peak 3704 from aliabs.peaks (2.00, 2.27, 33.08 ppm; 3.71 A): 3 out of 10 assignments used, quality = 1.00: * QE MET 113 + HB3 MET 113 OK 94 100 - 94 - 4.2=71, 3724/1.8=31...(13) HB3 GLU 90 + HB3 MET 113 OK 90 100 - 91 - 2928=18, 3.0/3702=16...(39) HB2 GLU 90 + HB3 MET 113 OK 65 72 - 90 - 1.8/2928=16, 3.0/3702=16...(41) HB VAL 63 - HB3 MET 113 OK 21 100 - 21 - ~9873=4, ~9830=3...(8) HG3 GLU 122 - HB3 MET 113 OK 14 89 - 15 - 4088/3.0=2, 9457/9324=2...(7) HB2 GLN 111 - HB3 MET 113 OK 11 85 - 13 - 7388/4.1=2, 11022/9323=2...(8) HG3 PRO 52 - HB3 MET 113 lone 9 99 - 9 - 9280/3592=2, 7388/4.1=1 QE MET 11 - HB3 MET 113 lone 8 89 - 9 - 10664/1.8=4 QE MET 59 - HB3 MET 113 lone 7 99 - 7 - 10563/3.0=1 HB3 ARG 124 - HB3 MET 113 lone 5 81 - 7 - 8735/9323=2 Peak 3706 from aliabs.peaks (8.87, 2.25, 32.75 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HG2 MET 113 OK 100 100 - 100 - 5.2=100 Peak 3707 from aliabs.peaks (4.00, 2.25, 32.75 ppm; 4.67 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.7=100 HA LYS 114 + HG2 MET 113 OK 76 100 - 76 - 3.0/7400=19, ~3729=11...(21) HB2 SER 138 - HG2 MET 113 OK 32 100 - 32 - 3715/1.8=4, ~3715=3...(14) HB3 SER 138 - HG2 MET 113 OK 32 100 - 32 - 3715/1.8=4, ~3715=3...(14) HA LEU 69 - HG2 MET 113 OK 20 85 - 23 - 3723/3.3=4, 8729/9326=3...(9) HB3 SER 127 - HG2 MET 113 OK 20 100 - 20 - ~10193=4, 3699/3.0=3...(7) HB3 SER 100 - HG2 MET 113 OK 12 68 - 17 - 1.8/10196=4, ~9337=2...(9) HA GLU 122 - HG2 MET 113 OK 12 68 - 17 - 3723/3.3=2, 3715/1.8=2...(9) HB2 SER 103 - HG2 MET 113 lone 2 68 - 2 - Peak 3708 from aliabs.peaks (2.19, 2.25, 32.75 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.0=100 HB2 MET 46 - HG2 MET 113 OK 39 100 - 39 - 3716/1.8=7, 3700/3.0=6...(13) HB3 PRO 57 - HG2 MET 113 OK 33 100 - 33 - 3716/1.8=6, 3700/3.0=5...(15) HG2 GLU 75 - HG2 MET 113 OK 21 81 - 25 - 3716/1.8=5, 3700/3.0=4...(11) HB3 LYS 86 - HG2 MET 113 OK 19 96 - 20 - 3716/1.8=3, 3700/3.0=3...(6) HB2 GLN 25 - HG2 MET 113 lone 2 62 - 4 - Peak 3709 from aliabs.peaks (2.27, 2.25, 32.75 ppm; 3.51 A): 3 out of 9 assignments used, quality = 1.00: * HB3 MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 90 + HG2 MET 113 OK 92 100 - 92 - 2936=13, 3717/1.8=12...(49) HG3 GLU 90 + HG2 MET 113 OK 57 68 - 84 - 1.8/2936=13, 3.0/2929=9...(40) HG3 PRO 129 - HG2 MET 113 OK 34 92 - 37 - 3717/1.8=3, 3692/3.0=3...(22) HG3 GLU 142 - HG2 MET 113 OK 20 100 - 20 - 9567/1.8=3, 3.0/3712=2...(9) HG2 GLU 131 - HG2 MET 113 OK 13 100 - 13 - 9567/1.8=3, 3692/3.0=1...(5) HG2 GLN 62 - HG2 MET 113 poor 10 85 - 11 - 8345/9326=1, ~3718=1 HG3 GLN 62 - HG2 MET 113 poor 9 81 - 10 - 8345/9326=1 HG2 GLU 120 - HG2 MET 113 lone 2 77 - 2 - Peak 3710 from aliabs.peaks (2.25, 2.25, 32.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 113 + HG2 MET 113 OK 100 100 - 100 Peak 3711 from aliabs.peaks (2.75, 2.25, 32.75 ppm; 3.72 A): 1 out of 10 assignments used, quality = 1.00: * HG3 MET 113 + HG2 MET 113 OK 100 100 - 100 - 1.8=100 HE2 LYS 76 - HG2 MET 113 OK 36 92 - 40 - 3703/3.0=4, 3727/3.3=4...(24) HE3 LYS 76 - HG2 MET 113 OK 28 72 - 39 - 3703/3.0=3, 3694/3.0=3...(24) HB3 PHE 43 - HG2 MET 113 OK 21 100 - 21 - ~971=2, 3703/3.0=2...(10) HE2 LYS 114 - HG2 MET 113 OK 17 62 - 28 - 7.0/3713=4, 3703/3.0=4...(11) HB2 ASN 96 - HG2 MET 113 OK 16 99 - 16 - ~3183=2, ~9338=2...(8) HB3 ASP 40 - HG2 MET 113 OK 16 98 - 16 - 4.4/3713=2, 3694/3.0=2...(6) HB2 ASN 54 - HG2 MET 113 lone 9 99 - 9 - ~10442=1 HB3 ASP 137 - HG2 MET 113 lone 6 85 - 7 - HB3 ASP 16 - HG2 MET 113 lone 2 98 - 2 - Peak 3712 from aliabs.peaks (2.00, 2.25, 32.75 ppm; 3.95 A): 3 out of 10 assignments used, quality = 1.00: * QE MET 113 + HG2 MET 113 OK 100 100 - 100 - 3.3=100 HB3 GLU 90 + HG2 MET 113 OK 95 100 - 95 - 11642/1.8=16, 2929=14...(53) HB2 GLU 90 + HG2 MET 113 OK 68 72 - 94 - 1.8/2929=14, ~11642=11...(54) HB VAL 63 - HG2 MET 113 OK 27 100 - 27 - 3720/1.8=4, ~10932=3...(11) HB2 GLN 111 - HG2 MET 113 OK 15 85 - 18 - 11022/9326=2, 7388/5.2=2...(7) HG3 GLU 122 - HG2 MET 113 OK 14 89 - 16 - 9457/9325=2, 4088/3.7=2...(6) HG3 PRO 52 - HG2 MET 113 OK 14 99 - 14 - 3720/1.8=1 QE MET 59 - HG2 MET 113 lone 9 99 - 9 - 3720/1.8=1 QE MET 11 - HG2 MET 113 lone 9 89 - 10 - 10664/3.0=4 HB3 ARG 124 - HG2 MET 113 lone 8 81 - 9 - 8735/9326=3 Peak 3714 from aliabs.peaks (8.87, 2.75, 32.75 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H MET 113 + HG3 MET 113 OK 100 100 - 100 - 5.2=100 Peak 3715 from aliabs.peaks (4.00, 2.75, 32.75 ppm; 4.66 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.7=100 HA LYS 114 + HG3 MET 113 OK 78 100 - 78 - ~7400=13, ~3713=11...(23) HB2 SER 138 - HG3 MET 113 OK 34 100 - 34 - 3707/1.8=4, 3699/3.0=3...(15) HB3 SER 138 - HG3 MET 113 OK 34 100 - 34 - 3707/1.8=4, 3690/3.0=3...(15) HA LEU 69 - HG3 MET 113 OK 21 85 - 25 - 3723/3.3=4, 8729/9327=3...(10) HB3 SER 127 - HG3 MET 113 OK 21 100 - 21 - 1.8/10193=4, 3699/3.0=3...(9) HA GLU 122 - HG3 MET 113 OK 13 68 - 19 - 3723/3.3=2, 3707/1.8=2...(9) HB3 SER 100 - HG3 MET 113 OK 12 68 - 17 - ~10196=3, ~9337=2...(9) HB2 SER 103 - HG3 MET 113 lone 2 68 - 2 - Peak 3716 from aliabs.peaks (2.19, 2.75, 32.75 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.0=100 HB2 MET 46 - HG3 MET 113 OK 41 100 - 41 - 3708/1.8=8, 10711/9327=7...(13) HB3 PRO 57 - HG3 MET 113 OK 35 100 - 35 - 3708/1.8=6, 3700/3.0=5...(15) HG2 GLU 75 - HG3 MET 113 OK 22 81 - 27 - 3708/1.8=5, 3700/3.0=4...(11) HB3 LYS 86 - HG3 MET 113 OK 20 96 - 20 - 3708/1.8=4, 3700/3.0=3...(6) HB2 GLN 25 - HG3 MET 113 lone 2 62 - 3 - Peak 3717 from aliabs.peaks (2.27, 2.75, 32.75 ppm; 3.61 A): 3 out of 9 assignments used, quality = 1.00: * HB3 MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 90 + HG3 MET 113 OK 88 100 - 88 - 2936/1.8=14...(40) HG3 GLU 90 + HG3 MET 113 OK 56 68 - 83 - 3.0/11642=10...(35) HG3 PRO 129 - HG3 MET 113 OK 29 92 - 32 - 3709/1.8=4, 3692/3.0=3...(16) HG3 GLU 142 - HG3 MET 113 OK 23 100 - 23 - 9567=3, 3.0/3720=2...(11) HG2 GLU 131 - HG3 MET 113 OK 15 100 - 15 - 9567=3, 3709/1.8=1...(7) HG2 GLN 62 - HG3 MET 113 poor 9 85 - 11 - 8345/9327=2, 3709/1.8=1 HG3 GLN 62 - HG3 MET 113 poor 8 81 - 10 - 8345/9327=1 HG2 GLU 120 - HG3 MET 113 lone 2 77 - 3 - Peak 3718 from aliabs.peaks (2.25, 2.75, 32.75 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: * HG2 MET 113 + HG3 MET 113 OK 100 100 - 100 - 1.8=100 HG3 GLU 90 + HG3 MET 113 OK 85 96 - 88 - 3702/3.0=15, 3726/3.3=12...(36) HG3 PRO 129 - HG3 MET 113 OK 27 77 - 35 - 3702/3.0=4, 3693/3.0=4...(18) HG3 GLN 62 - HG3 MET 113 OK 12 89 - 13 - 8345/9327=2, 3702/3.0=1 HG2 GLN 62 - HG3 MET 113 OK 11 85 - 12 - 3702/3.0=1, 3693/3.0=1 HB3 PRO 12 - HG3 MET 113 lone 5 77 - 6 - HG2 GLU 37 - HG3 MET 113 lone 1 62 - 2 - Peak 3719 from aliabs.peaks (2.75, 2.75, 32.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 113 + HG3 MET 113 OK 100 100 - 100 Peak 3720 from aliabs.peaks (2.00, 2.75, 32.75 ppm; 4.27 A): 3 out of 10 assignments used, quality = 1.00: * QE MET 113 + HG3 MET 113 OK 100 100 - 100 - 3.3=100 HB3 GLU 90 + HG3 MET 113 OK 97 100 - 97 - 11642=22, 1.8/10071=17...(46) HB2 GLU 90 + HG3 MET 113 OK 70 72 - 96 - 1.8/11642=18...(48) HB VAL 63 - HG3 MET 113 OK 32 100 - 32 - 3712/1.8=4, 2.1/10932=4...(15) HG3 GLU 122 - HG3 MET 113 OK 17 89 - 19 - 9457/9328=3, 4088/3.7=2...(7) HB2 GLN 111 - HG3 MET 113 OK 17 85 - 20 - 11022/9327=3, 7388/5.2=2...(10) HG3 PRO 52 - HG3 MET 113 OK 15 99 - 15 - 3712/1.8=2, 11022/9327=1...(6) QE MET 59 - HG3 MET 113 OK 12 99 - 12 - 3712/1.8=1, 10563/3.7=1 HB3 ARG 124 - HG3 MET 113 OK 10 81 - 13 - 8735/9327=4 QE MET 11 - HG3 MET 113 poor 9 89 - 10 - 10664/3.0=4, 3712/1.8=1 Peak 3722 from aliabs.peaks (8.87, 2.00, 15.64 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.99: * H MET 113 + QE MET 113 OK 99 100 - 99 - 6.2=61, 3714/3.3=43...(23) Peak 3723 from aliabs.peaks (4.00, 2.00, 15.64 ppm; 3.23 A): 6 out of 9 assignments used, quality = 0.94: * HA MET 113 + QE MET 113 OK 81 100 - 81 - 3.0/3722=22, 5.4=21...(18) HA LYS 114 + QE MET 113 OK 38 100 - 38 - 3.0/3729=13, 3715/3.3=4...(10) HA LEU 69 + QE MET 113 OK 18 85 - 22 - 3.9/9333=7, 3.0/9334=3...(7) HB2 SER 138 + QE MET 113 OK 14 100 - 14 - 3715/3.3=2, 3707/3.3=2...(4) HB3 SER 138 + QE MET 113 OK 13 100 - 13 - 3715/3.3=2, 3707/3.3=2...(4) HB3 SER 127 + QE MET 113 OK 11 100 - 11 - 9951/9332=1, ~10193=1 HA GLU 122 - QE MET 113 poor 8 68 - 12 - 3.0/4070=1, 4062=1...(4) HB3 SER 100 - QE MET 113 lone 6 68 - 8 - 1.8/9337=3, ~10196=1 HB2 SER 103 - QE MET 113 lone 1 68 - 1 - Peak 3724 from aliabs.peaks (2.19, 2.00, 15.64 ppm; 2.62 A): 3 out of 6 assignments used, quality = 0.71: * HB2 MET 113 + QE MET 113 OK 64 100 - 64 - 4.2=25, 1.8/3725=12...(12) HB2 MET 46 + QE MET 113 OK 12 100 - 12 - 3708/3.3=2, 3716/3.3=2...(5) HB3 PRO 57 + QE MET 113 OK 11 100 - 11 - 3708/3.3=2, 3716/3.3=2...(4) HG2 GLU 75 - QE MET 113 lone 7 81 - 9 - 3716/3.3=2, 3708/3.3=1 HB3 LYS 86 - QE MET 113 lone 6 96 - 6 - 3708/3.3=1, 3716/3.3=1 HB2 GLN 25 - QE MET 113 lone 1 62 - 2 - Peak 3725 from aliabs.peaks (2.27, 2.00, 15.64 ppm; 2.62 A): 4 out of 9 assignments used, quality = 0.89: * HB3 MET 113 + QE MET 113 OK 64 100 - 64 - 4.2=25, 1.8/3724=20...(10) HG2 GLU 90 + QE MET 113 OK 51 100 - 51 - 2934=11, 1.8/2941=8...(24) HG3 GLU 90 + QE MET 113 OK 30 68 - 45 - 1.8/2934=8, 2941=6...(22) HG3 PRO 129 + QE MET 113 OK 13 92 - 14 - 9532/10189=2, 3709/3.3=1 HG3 GLU 142 - QE MET 113 lone 10 100 - 10 - 4861=2, 1.8/4854=1, 9567/3.3=1 HG2 GLU 131 - QE MET 113 lone 5 100 - 5 - 9567/3.3=1 HG2 GLN 62 - QE MET 113 lone 3 85 - 3 - HG3 GLN 62 - QE MET 113 lone 3 81 - 3 - HG2 GLU 120 - QE MET 113 lone 1 77 - 1 - Peak 3726 from aliabs.peaks (2.25, 2.00, 15.64 ppm; 2.68 A): 3 out of 7 assignments used, quality = 0.90: * HG2 MET 113 + QE MET 113 OK 76 100 - 76 - 3.3=51, 1.8/3727=14...(14) HG3 GLU 90 + QE MET 113 OK 52 96 - 55 - 2941=11, 1.8/2934=8...(25) HG3 PRO 129 + QE MET 113 OK 12 77 - 16 - 9532/10189=2, 3718/3.3=2...(5) HG3 GLN 62 - QE MET 113 lone 4 89 - 5 - HG2 GLN 62 - QE MET 113 lone 4 85 - 5 - HB3 PRO 12 - QE MET 113 lone 2 77 - 2 - HG2 GLU 37 - QE MET 113 lone 0 62 - 0 - Peak 3727 from aliabs.peaks (2.75, 2.00, 15.64 ppm; 3.00 A): 4 out of 10 assignments used, quality = 0.94: * HG3 MET 113 + QE MET 113 OK 90 100 - 90 - 3.3=72, 1.8/3726=21...(15) HE2 LYS 76 + QE MET 113 OK 20 92 - 22 - 3.0/9334=3, 3711/3.3=2...(7) HE3 LYS 76 + QE MET 113 OK 15 72 - 21 - 3.0/9334=3, 1.8/10276=2...(8) HB2 ASN 96 + QE MET 113 OK 11 99 - 11 - 1.8/9338=3, 3.5/10249=2 HE2 LYS 114 - QE MET 113 poor 10 62 - 16 - 7.0/3729=3, 3711/3.3=2...(8) HB3 PHE 43 - QE MET 113 lone 9 100 - 9 - 3711/3.3=1, 3703/4.2=1 HB3 ASP 40 - QE MET 113 lone 8 98 - 9 - 4.4/3729=2, 3711/3.3=1 HB2 ASN 54 - QE MET 113 lone 4 99 - 4 - HB3 ASP 137 - QE MET 113 lone 4 85 - 4 - HB3 ASP 16 - QE MET 113 lone 1 98 - 1 - Peak 3728 from aliabs.peaks (2.00, 2.00, 15.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 113 + QE MET 113 OK 100 100 - 100 Peak 3729 from aliabs.peaks (7.38, 2.00, 15.64 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 114 + QE MET 113 OK 99 100 - 99 - 3.0/3722=50, ~3714=37...(25) H ASP 41 - QE MET 113 OK 38 96 - 40 - 3713/3.3=8, 3705/4.2=8...(8) Peak 3730 from aliabs.peaks (7.38, 4.00, 58.65 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.0=100 H ASP 41 + HA LYS 114 OK 54 96 - 56 - 3742/3.0=9, 3754/3.0=8...(14) Peak 3731 from aliabs.peaks (4.00, 4.00, 58.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 114 + HA LYS 114 OK 100 100 - 100 Peak 3732 from aliabs.peaks (1.65, 4.00, 58.65 ppm; 3.30 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.0=100 HB2 PRO 57 - HA LYS 114 OK 27 94 - 28 - 3756/3.0=4, 3767/3.6=3...(15) HD3 LYS 93 - HA LYS 114 OK 24 68 - 35 - 3.0/3736=5, 3756/3.0=3...(16) HD2 LYS 48 - HA LYS 114 OK 18 62 - 29 - 3.0/3733=4, ~1193=2...(11) HB3 LEU 26 - HA LYS 114 OK 18 99 - 18 - 3756/3.0=2, ~246=2...(8) HG2 ARG 124 - HA LYS 114 OK 17 99 - 18 - 3756/3.0=2, 3767/3.6=2...(5) HG2 ARG 140 - HA LYS 114 OK 12 99 - 12 - 3756/3.0=1, 4.9/9751=1...(4) HB VAL 71 - HA LYS 114 lone 4 62 - 6 - HB2 LEU 95 - HA LYS 114 lone 2 62 - 4 - HG2 ARG 89 - HA LYS 114 lone 2 62 - 3 - Peak 3733 from aliabs.peaks (1.45, 4.00, 58.65 ppm; 3.23 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.0=100 HG12 ILE 91 - HA LYS 114 OK 35 62 - 56 - 1.8/3735=9, 3.2/8975=6...(23) HG2 LYS 48 - HA LYS 114 OK 26 77 - 34 - 4.9/3730=3, 6457/3.0=3...(16) HG2 LYS 24 - HA LYS 114 OK 17 85 - 20 - ~11345=3, ~11344=3...(8) HB3 LYS 123 - HA LYS 114 OK 17 100 - 17 - 3745/3.0=2, ~4109=2...(5) HB3 LEU 66 - HA LYS 114 OK 15 72 - 21 - 7421/3.6=3, 3745/3.0=3...(7) HG LEU 126 - HA LYS 114 lone 9 89 - 10 - 3745/3.0=2, 3768/3.6=2 HG3 LYS 86 - HA LYS 114 lone 8 85 - 10 - 2724/3.6=2 Peak 3734 from aliabs.peaks (0.45, 4.00, 58.65 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HA LYS 114 OK 100 100 - 100 - 3.6=100 QG2 VAL 82 - HA LYS 114 OK 43 85 - 50 - 3758/3.0=10, 3746/3.0=10...(14) Peak 3735 from aliabs.peaks (1.05, 4.00, 58.65 ppm; 3.34 A): 2 out of 5 assignments used, quality = 0.98: * HG3 LYS 114 + HA LYS 114 OK 96 100 - 96 - 3.6=77, 2.9/3737=15...(33) HG13 ILE 91 + HA LYS 114 OK 47 85 - 55 - 1.8/3736=8, 3.2/8975=7...(22) HB2 LEU 116 - HA LYS 114 OK 32 100 - 32 - 3.9/9382=5, 3759/3.0=4...(12) QG2 THR 110 - HA LYS 114 OK 27 85 - 32 - 10638/4.8=7, 9290/4.8=4...(11) HG2 ARG 35 - HA LYS 114 OK 19 100 - 19 - 3747/3.0=3, 3759/3.0=3...(8) Peak 3736 from aliabs.peaks (1.42, 4.00, 58.65 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.96: * HD2 LYS 114 + HA LYS 114 OK 94 100 - 94 - 4.8=36, 1.8/3737=20...(35) HG12 ILE 91 + HA LYS 114 OK 38 62 - 61 - 1.8/3735=10, 3.2/8975=7...(22) HG3 LYS 93 - HA LYS 114 OK 35 85 - 41 - 3748/3.0=6, 3760/3.0=6...(13) Peak 3737 from aliabs.peaks (1.49, 4.00, 58.65 ppm; 3.35 A): 2 out of 5 assignments used, quality = 0.95: * HD3 LYS 114 + HA LYS 114 OK 93 100 - 93 - 4.8=34, 3801/3.0=20...(35) HB3 LEU 29 + HA LYS 114 OK 27 92 - 30 - 3761/3.0=5, 3749/3.0=5...(9) HG13 ILE 101 - HA LYS 114 OK 26 100 - 26 - 3761/3.0=5, 3749/3.0=4...(9) QB ALA 134 - HA LYS 114 OK 13 92 - 14 - 9637/3.0=3, 3761/3.0=2...(6) HG2 LYS 34 - HA LYS 114 poor 6 57 - 11 - 3761/3.0=2, 3749/3.0=2...(5) Peak 3738 from aliabs.peaks (2.76, 4.00, 58.65 ppm; 3.68 A): 2 out of 8 assignments used, quality = 0.95: * HE2 LYS 114 + HA LYS 114 OK 92 100 - 92 - 6.3=20, 3.0/3737=17...(31) HE3 LYS 76 + HA LYS 114 OK 43 100 - 43 - 3813/3.6=7, 3784/3.6=5...(19) HE2 LYS 76 - HA LYS 114 OK 40 94 - 43 - 3813/3.6=7, 3784/3.6=5...(19) HB3 ASP 40 - HA LYS 114 OK 38 85 - 45 - 1.8/3739=8, 4.4/3730=6...(19) HG3 MET 113 - HA LYS 114 OK 37 62 - 59 - ~7400=8, 1.8/3707=7...(19) HB2 ASP 41 - HA LYS 114 OK 21 89 - 24 - 3.8/3730=7, 898/3.0=3...(9) HB3 ASP 137 - HA LYS 114 OK 16 98 - 16 - 9707/4.8=4, ~9710=1...(6) HB2 PHE 38 - HA LYS 114 lone 6 100 - 5 - Peak 3739 from aliabs.peaks (2.82, 4.00, 58.65 ppm; 3.86 A): 2 out of 4 assignments used, quality = 0.98: * HE3 LYS 114 + HA LYS 114 OK 95 100 - 96 - 3824/3.6=29, 6.3=23...(37) HB2 ASP 40 + HA LYS 114 OK 48 94 - 51 - 4.4/3730=6, 3785/3.6=6...(20) HB2 ASN 139 - HA LYS 114 OK 42 92 - 46 - 3785/3.6=6, 3774/3.6=6...(15) HB2 ASN 130 - HA LYS 114 OK 12 100 - 12 - 3785/3.6=2, 3796/4.8=2...(6) Peak 3740 from aliabs.peaks (8.12, 4.00, 58.65 ppm; 4.99 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 115 + HA LYS 114 OK 100 100 - 100 - 3.6=100 H LEU 87 + HA LYS 114 OK 59 100 - 59 - 3764/3.0=17, 3752/3.0=15...(12) Peak 3741 from aliabs.peaks (4.66, 1.65, 33.25 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.89: * HA GLN 111 + HB2 LYS 114 OK 74 100 - 74 - 3615/1.8=29, 3613/3.9=21...(12) HA ASN 139 + HB2 LYS 114 OK 58 77 - 75 - 9339/3.6=25, 3753/1.8=18...(22) HA ASP 16 - HB2 LYS 114 lone 5 98 - 5 - 3753/1.8=1 HA MET 11 - HB2 LYS 114 lone 4 68 - 6 - 9339/3.6=4, 3753/1.8=1 Peak 3743 from aliabs.peaks (4.00, 1.65, 33.25 ppm; 3.58 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 3.0=100 HA MET 113 + HB2 LYS 114 OK 51 100 - 51 - 3.6/3742=13, 3755/1.8=7...(18) HB3 SER 138 - HB2 LYS 114 OK 44 100 - 45 - 3755/1.8=6, 3777/2.9=5...(15) HB2 SER 138 - HB2 LYS 114 OK 44 100 - 45 - 3755/1.8=6, 3777/2.9=5...(15) HA GLU 122 - HB2 LYS 114 OK 14 77 - 18 - 3755/1.8=2, 3734/2.9=2...(6) HA LEU 69 - HB2 LYS 114 OK 13 92 - 14 - 3755/1.8=2, 3777/2.9=1...(5) HB3 SER 127 - HB2 LYS 114 lone 7 99 - 7 - HB3 SER 100 - HB2 LYS 114 lone 2 77 - 3 - HB2 SER 103 - HB2 LYS 114 lone 2 77 - 2 - Peak 3744 from aliabs.peaks (1.65, 1.65, 33.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 Peak 3745 from aliabs.peaks (1.45, 1.65, 33.25 ppm; 3.21 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 1.8=100 HG12 ILE 91 - HB2 LYS 114 OK 43 62 - 69 - 1.8/3747=11, ~3759=7...(31) HG2 LYS 48 - HB2 LYS 114 OK 26 77 - 34 - 4.9/3742=3, 3733/3.0=3...(11) HB3 LEU 66 - HB2 LYS 114 OK 22 72 - 30 - ~9862=3, 3779/2.9=3...(17) HG2 LYS 24 - HB2 LYS 114 OK 20 85 - 23 - 10906/3.6=4, 3760/1.8=3...(8) HB3 LYS 123 - HB2 LYS 114 OK 19 100 - 19 - ~4109=2, 3733/3.0=2...(8) HG LEU 126 - HB2 LYS 114 OK 17 89 - 19 - ~10250=5, 3768/2.9=2...(7) HG3 LYS 86 - HB2 LYS 114 poor 10 85 - 11 - 2724/4.6=2, ~2708=1, 2724/3752=1 Peak 3746 from aliabs.peaks (0.45, 1.65, 33.25 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 2.9=100 QG2 VAL 82 + HB2 LYS 114 OK 60 85 - 70 - 3758/1.8=14, 3780/2.9=12...(20) Peak 3747 from aliabs.peaks (1.05, 1.65, 33.25 ppm; 3.67 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HB2 LYS 114 OK 69 85 - 81 - 1.8/3748=9, 3759/1.8=8...(38) HB2 LEU 116 + HB2 LYS 114 OK 49 100 - 49 - 3.2/10231=9, 3759/1.8=6...(21) QG2 THR 110 - HB2 LYS 114 OK 41 85 - 48 - 10638/3.6=12, 9290/3.6=7...(15) HG2 ARG 35 - HB2 LYS 114 OK 38 100 - 38 - 3759/1.8=5, 2.9/3748=4...(15) Peak 3748 from aliabs.peaks (1.42, 1.65, 33.25 ppm; 3.58 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 3.6=100 HG3 LYS 93 + HB2 LYS 114 OK 50 85 - 58 - 3760/1.8=9, 3782/2.9=8...(24) HG12 ILE 91 + HB2 LYS 114 OK 49 62 - 78 - 1.8/3747=13, 3760/1.8=9...(31) Peak 3749 from aliabs.peaks (1.49, 1.65, 33.25 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.99: * HD3 LYS 114 + HB2 LYS 114 OK 99 100 - 99 - 3.6=85, 3801/1.8=27...(39) HB3 LEU 29 - HB2 LYS 114 OK 38 92 - 41 - 3761/1.8=7, 3783/2.9=6...(11) HG13 ILE 101 - HB2 LYS 114 OK 33 100 - 33 - 3761/1.8=6, 3772/2.9=5...(10) QB ALA 134 - HB2 LYS 114 OK 19 92 - 21 - 9637=3, 3761/1.8=3...(8) HG2 LYS 34 - HB2 LYS 114 poor 8 57 - 14 - 3761/1.8=3, 3772/2.9=2...(5) Peak 3750 from aliabs.peaks (2.76, 1.65, 33.25 ppm; 6.09 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 4.9=100 HE3 LYS 76 + HB2 LYS 114 OK 88 100 - 88 - 3813/2.9=12, ~3813=12...(28) HE2 LYS 76 + HB2 LYS 114 OK 83 94 - 88 - 3813/2.9=12, ~8664=11...(28) HB3 ASP 40 + HB2 LYS 114 OK 70 85 - 82 - 1.8/3751=13, ~3763=11...(18) HG3 MET 113 - HB2 LYS 114 OK 43 62 - 70 - 5.2/9313=9, ~3707=9...(20) HB3 ASP 137 - HB2 LYS 114 OK 36 98 - 36 - 9707/3.6=12, ~9710=4...(13) HB2 ASP 41 - HB2 LYS 114 OK 30 89 - 34 - 3.8/3742=11, 898/3.9=6...(10) HB2 PHE 38 - HB2 LYS 114 OK 12 100 - 12 - 3784/2.9=1...(6) Peak 3751 from aliabs.peaks (2.82, 1.65, 33.25 ppm; 5.35 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 114 + HB2 LYS 114 OK 100 100 - 100 - 4.9=100 HB2 ASP 40 + HB2 LYS 114 OK 73 94 - 77 - 3796/3.6=12, 3785/2.9=12...(18) HB2 ASN 139 + HB2 LYS 114 OK 69 92 - 76 - 3.0/3741=16, 10365=13...(16) HB2 ASN 130 - HB2 LYS 114 OK 23 100 - 23 - 3763/1.8=4, 3796/3.6=4...(7) Peak 3752 from aliabs.peaks (8.12, 1.65, 33.25 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 115 + HB2 LYS 114 OK 100 100 - 100 - 4.6=100 H LEU 87 + HB2 LYS 114 OK 64 100 - 64 - 3764/1.8=19...(12) Peak 3753 from aliabs.peaks (4.66, 1.45, 33.25 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.85: * HA GLN 111 + HB3 LYS 114 OK 70 100 - 70 - 3615=31, 3613/3.9=18...(11) HA ASN 139 + HB3 LYS 114 OK 52 77 - 68 - 9339/3.6=20, 3741/1.8=13...(22) HA ASP 16 - HB3 LYS 114 lone 3 98 - 3 - 3741/1.8=1 HA MET 11 - HB3 LYS 114 lone 3 68 - 5 - 9339/3.6=3, 3741/1.8=1 Peak 3755 from aliabs.peaks (4.00, 1.45, 33.25 ppm; 3.74 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 3.0=100 HA MET 113 + HB3 LYS 114 OK 57 100 - 57 - 3.6/3754=13, 3755=9...(19) HB3 SER 138 + HB3 LYS 114 OK 54 100 - 54 - 3755=8, 1.8/3755=7...(18) HB2 SER 138 + HB3 LYS 114 OK 54 100 - 54 - 3755=8, 1.8/3755=7...(18) HA GLU 122 - HB3 LYS 114 OK 16 77 - 21 - 3755=3, 3743/1.8=2...(7) HA LEU 69 - HB3 LYS 114 OK 15 92 - 16 - 3755=2, 3743/1.8=2...(5) HB3 SER 127 - HB3 LYS 114 lone 8 99 - 8 - HB3 SER 100 - HB3 LYS 114 lone 3 77 - 3 - HB2 SER 103 - HB3 LYS 114 lone 2 77 - 3 - Peak 3756 from aliabs.peaks (1.65, 1.45, 33.25 ppm; 3.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 1.8=100 HB2 PRO 57 - HB3 LYS 114 OK 40 94 - 43 - 3756=6, ~8266=4...(20) HD3 LYS 93 - HB3 LYS 114 OK 34 68 - 51 - 3.0/3760=6, 3756=6...(25) HB3 LEU 26 - HB3 LYS 114 OK 26 99 - 27 - ~246=3, 3778/2.9=2...(12) HG2 ARG 124 - HB3 LYS 114 OK 26 99 - 27 - 3767/2.9=3, 3800/3.6=3...(10) HD2 LYS 48 - HB3 LYS 114 OK 23 62 - 36 - 3756=3, 3.0/1187=3...(21) HG2 ARG 140 - HB3 LYS 114 OK 16 99 - 16 - 3756=2, 3732/3.0=1...(6) HB VAL 71 - HB3 LYS 114 lone 3 62 - 5 - HB2 LEU 95 - HB3 LYS 114 lone 3 62 - 4 - HG2 ARG 89 - HB3 LYS 114 lone 2 62 - 3 - Peak 3757 from aliabs.peaks (1.45, 1.45, 33.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 Peak 3758 from aliabs.peaks (0.45, 1.45, 33.25 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 2.9=100 QG2 VAL 82 + HB3 LYS 114 OK 59 85 - 69 - 3746/1.8=14, 3780/2.9=11...(19) Peak 3759 from aliabs.peaks (1.05, 1.45, 33.25 ppm; 3.74 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HB3 LYS 114 OK 72 85 - 85 - 3759=11, 1.8/3760=9...(39) HB2 LEU 116 + HB3 LYS 114 OK 52 100 - 52 - 3.1/10690=7, ~10231=6...(21) QG2 THR 110 - HB3 LYS 114 OK 42 85 - 50 - 10638/3.6=13, 9290/3.6=8...(15) HG2 ARG 35 - HB3 LYS 114 OK 39 100 - 39 - 3747/1.8=5, 2.9/3760=4...(16) Peak 3760 from aliabs.peaks (1.42, 1.45, 33.25 ppm; 3.54 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 3.6=96, 1.8/3801=28...(46) HG3 LYS 93 + HB3 LYS 114 OK 47 85 - 56 - 3748/1.8=9, 3782/2.9=7...(21) HG12 ILE 91 + HB3 LYS 114 OK 45 62 - 72 - 1.8/3759=12, 3748/1.8=9...(27) Peak 3761 from aliabs.peaks (1.49, 1.45, 33.25 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 3.6=92, 1.8/3790=26...(44) HB3 LEU 29 - HB3 LYS 114 OK 43 92 - 47 - 3761=10, 3749/1.8=8...(12) HG13 ILE 101 - HB3 LYS 114 OK 39 100 - 39 - 3761=9, 3749/1.8=6...(11) QB ALA 134 - HB3 LYS 114 OK 20 92 - 22 - 9637/1.8=4, 3761=3...(8) HG2 LYS 34 - HB3 LYS 114 OK 10 57 - 18 - 3761=4, 3749/1.8=3...(6) Peak 3763 from aliabs.peaks (2.82, 1.45, 33.25 ppm; 5.31 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 114 + HB3 LYS 114 OK 100 100 - 100 - 4.9=100 HB2 ASP 40 + HB3 LYS 114 OK 73 94 - 78 - 3796/3.6=11, 3785/2.9=11...(19) HB2 ASN 139 + HB3 LYS 114 OK 67 92 - 74 - 3.0/3753=17, ~3741=11...(15) HB2 ASN 130 - HB3 LYS 114 OK 25 100 - 25 - 3796/3.6=4, 3807/3.6=4...(8) Peak 3764 from aliabs.peaks (8.12, 1.45, 33.25 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 115 + HB3 LYS 114 OK 100 100 - 100 - 4.6=100 H LEU 87 + HB3 LYS 114 OK 74 100 - 74 - 3764=20, 3752/1.8=17...(19) Peak 3766 from aliabs.peaks (4.00, 0.45, 24.49 ppm; 4.20 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 3.6=100 HB3 SER 138 + HG2 LYS 114 OK 62 100 - 62 - 3777/1.8=8, 3799/2.9=7...(20) HB2 SER 138 + HG2 LYS 114 OK 62 100 - 62 - 3777/1.8=8, 3799/2.9=7...(20) HA MET 113 + HG2 LYS 114 OK 54 100 - 54 - 3.6/7406=18, 3777/1.8=7...(14) HA LEU 69 - HG2 LYS 114 OK 15 92 - 16 - 6753/8578=2, 3777/1.8=2...(6) HA GLU 122 - HG2 LYS 114 OK 15 77 - 19 - 3734=4, 3777/1.8=2...(8) HB3 SER 127 - HG2 LYS 114 lone 7 99 - 7 - HB3 SER 100 - HG2 LYS 114 lone 2 77 - 3 - HB2 SER 103 - HG2 LYS 114 lone 2 77 - 3 - Peak 3767 from aliabs.peaks (1.65, 0.45, 24.49 ppm; 3.60 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HD3 LYS 93 - HG2 LYS 114 OK 39 68 - 58 - 3.0/3771=7, 3778/1.8=5...(28) HB2 PRO 57 - HG2 LYS 114 OK 39 94 - 41 - ~8266=6, 3778/1.8=5...(18) HG2 ARG 124 - HG2 LYS 114 OK 34 99 - 34 - ~10679=5, ~10678=5...(10) HB3 LEU 26 - HG2 LYS 114 OK 25 99 - 25 - 3778/1.8=3, 3756/2.9=3...(10) HD2 LYS 48 - HG2 LYS 114 OK 22 62 - 36 - 3.0/3768=5, 3778/1.8=3...(17) HG2 ARG 140 - HG2 LYS 114 OK 14 99 - 14 - 3778/1.8=2, 3756/2.9=2...(6) HB VAL 71 - HG2 LYS 114 lone 3 62 - 5 - HB2 LEU 95 - HG2 LYS 114 lone 2 62 - 4 - HG2 ARG 89 - HG2 LYS 114 lone 2 62 - 2 - Peak 3768 from aliabs.peaks (1.45, 0.45, 24.49 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HG12 ILE 91 - HG2 LYS 114 OK 44 62 - 71 - 1.8/3770=13, 3779/1.8=8...(30) HG2 LYS 48 - HG2 LYS 114 OK 24 77 - 31 - 4.9/7406=4, 3779/1.8=3...(11) HG2 LYS 24 - HG2 LYS 114 OK 23 85 - 27 - 10906/2.9=5, 3779/1.8=3...(11) HB3 LEU 66 - HG2 LYS 114 OK 22 72 - 31 - ~9862=6, 3779/1.8=4...(12) HG LEU 126 - HG2 LYS 114 OK 20 89 - 23 - 2.1/10250=10, 2.1/8616=3...(6) HB3 LYS 123 - HG2 LYS 114 OK 17 100 - 17 - 3779/1.8=2, 3745/2.9=2...(6) HG3 LYS 86 - HG2 LYS 114 lone 7 85 - 9 - 3779/1.8=1 Peak 3769 from aliabs.peaks (0.45, 0.45, 24.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 Peak 3770 from aliabs.peaks (1.05, 0.45, 24.49 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 1.8=100 HG13 ILE 91 + HG2 LYS 114 OK 61 85 - 71 - 1.8/3771=8, ~2975=5...(37) HB2 LEU 116 - HG2 LYS 114 OK 38 100 - 38 - 3.0/3771=4, 3792/2.9=4...(21) QG2 THR 110 - HG2 LYS 114 OK 31 85 - 36 - 10638/2.9=10, 9290/2.9=6...(12) HG2 ARG 35 - HG2 LYS 114 OK 30 100 - 30 - 2.9/3771=4, 3792/2.9=3...(15) Peak 3771 from aliabs.peaks (1.42, 0.45, 24.49 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HG12 ILE 91 - HG2 LYS 114 OK 41 62 - 66 - 1.8/3770=12, 3782/1.8=8...(29) HG3 LYS 93 - HG2 LYS 114 OK 41 85 - 48 - 3782/1.8=8, 3804/2.9=6...(18) Peak 3772 from aliabs.peaks (1.49, 0.45, 24.49 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 2.9=100 HB3 LEU 29 - HG2 LYS 114 OK 41 92 - 45 - 3783/1.8=8, 3794/2.9=6...(22) HG13 ILE 101 - HG2 LYS 114 OK 33 100 - 33 - 3783/1.8=6, 3794/2.9=5...(13) QB ALA 134 - HG2 LYS 114 OK 18 92 - 19 - 3783/1.8=3, 9637/2.9=3...(7) HG2 LYS 34 - HG2 LYS 114 poor 9 57 - 16 - 3783/1.8=3, 3794/2.9=2...(6) Peak 3773 from aliabs.peaks (2.76, 0.45, 24.49 ppm; 3.77 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 3.7=100 HE3 LYS 76 + HG2 LYS 114 OK 73 100 - 73 - 3813=12, 1.8/3813=12...(28) HE2 LYS 76 + HG2 LYS 114 OK 69 94 - 73 - 3813=12, 1.8/3813=11...(28) HB3 ASP 40 + HG2 LYS 114 OK 51 85 - 60 - 1.8/3774=8, 3784/1.8=6...(21) HB3 ASP 137 - HG2 LYS 114 OK 18 98 - 18 - 9707/2.9=6, 3784/1.8=2...(6) HB2 ASP 41 - HG2 LYS 114 OK 16 89 - 18 - 3.8/3765=5, 898/4.9=2...(8) HG3 MET 113 - HG2 LYS 114 OK 13 62 - 20 - 3.7/3766=4, 3738/3.6=4...(9) HB2 PHE 38 - HG2 LYS 114 lone 7 100 - 7 - 3784/1.8=1, 10796/10262=1 Peak 3774 from aliabs.peaks (2.82, 0.45, 24.49 ppm; 4.13 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 114 + HG2 LYS 114 OK 100 100 - 100 - 3.7=100 HB2 ASP 40 + HG2 LYS 114 OK 60 94 - 64 - 3785/1.8=10, 3796/2.9=10...(19) HB2 ASN 139 + HG2 LYS 114 OK 56 92 - 61 - ~9339=10, 3785/1.8=10...(16) HB2 ASN 130 - HG2 LYS 114 OK 16 100 - 16 - 3796/2.9=3, 3807/2.9=3...(7) Peak 3777 from aliabs.peaks (4.00, 1.05, 24.49 ppm; 3.67 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 3.6=100 HB3 SER 138 + HG3 LYS 114 OK 52 100 - 52 - 3766/1.8=7, 3799/2.9=5...(19) HB2 SER 138 + HG3 LYS 114 OK 52 100 - 52 - 3766/1.8=7, 3799/2.9=5...(19) HA MET 113 - HG3 LYS 114 OK 44 100 - 44 - 3.6/3776=10, 3766/1.8=6...(14) HA LEU 69 - HG3 LYS 114 OK 11 92 - 12 - 3766/1.8=2, 3743/2.9=1...(4) HA GLU 122 - HG3 LYS 114 OK 11 77 - 14 - 3734/1.8=3, 3743/2.9=2...(6) HB3 SER 127 - HG3 LYS 114 lone 6 99 - 5 - HB3 SER 100 - HG3 LYS 114 lone 2 77 - 2 - HB2 SER 103 - HG3 LYS 114 lone 2 77 - 2 - Peak 3778 from aliabs.peaks (1.65, 1.05, 24.49 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HD3 LYS 93 - HG3 LYS 114 OK 41 68 - 61 - 3.0/3782=8, 3767/1.8=5...(31) HB2 PRO 57 - HG3 LYS 114 OK 40 94 - 42 - 1.8/8266=7, 3767/1.8=5...(19) HG2 ARG 124 - HG3 LYS 114 OK 34 99 - 34 - ~10679=5, ~10678=5...(9) HB3 LEU 26 - HG3 LYS 114 OK 29 99 - 29 - 3767/1.8=3, 3756/2.9=3...(12) HD2 LYS 48 - HG3 LYS 114 OK 24 62 - 39 - 3.0/3779=5, 3767/1.8=3...(18) HG2 ARG 140 - HG3 LYS 114 OK 16 99 - 16 - 3767/1.8=2, 3756/2.9=2...(6) HB VAL 71 - HG3 LYS 114 lone 3 62 - 5 - HB2 LEU 95 - HG3 LYS 114 lone 3 62 - 4 - HG2 ARG 89 - HG3 LYS 114 lone 2 62 - 3 - Peak 3779 from aliabs.peaks (1.45, 1.05, 24.49 ppm; 3.16 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HG12 ILE 91 + HG3 LYS 114 OK 45 62 - 72 - 2.1/2991=9, 3768/1.8=8...(29) HB3 LEU 66 - HG3 LYS 114 OK 25 72 - 34 - 3.1/9862=10, 4.4/11233=5...(9) HG2 LYS 48 - HG3 LYS 114 OK 23 77 - 30 - 3768/1.8=3, 4.9/3776=3...(10) HG2 LYS 24 - HG3 LYS 114 OK 22 85 - 26 - 10906/2.9=5, 3768/1.8=3...(10) HG LEU 126 - HG3 LYS 114 OK 18 89 - 20 - ~10250=7, 3768/1.8=3...(6) HB3 LYS 123 - HG3 LYS 114 OK 17 100 - 17 - 3768/1.8=2, 3745/2.9=2...(6) HG3 LYS 86 - HG3 LYS 114 lone 7 85 - 9 - 2724/10266=1 Peak 3780 from aliabs.peaks (0.45, 1.05, 24.49 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 1.8=100 QG2 VAL 82 - HG3 LYS 114 OK 42 85 - 49 - 3791/2.9=7, 3802/2.9=7...(13) Peak 3781 from aliabs.peaks (1.05, 1.05, 24.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 Peak 3782 from aliabs.peaks (1.42, 1.05, 24.49 ppm; 3.18 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HG12 ILE 91 + HG3 LYS 114 OK 46 62 - 73 - 2.1/2991=9, 3771/1.8=8...(31) HG3 LYS 93 + HG3 LYS 114 OK 46 85 - 53 - 3771/1.8=8, 3804/2.9=6...(22) Peak 3783 from aliabs.peaks (1.49, 1.05, 24.49 ppm; 3.27 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 2.9=100 HB3 LEU 29 - HG3 LYS 114 OK 42 92 - 46 - 3772/1.8=8, 3794/2.9=6...(22) HG13 ILE 101 - HG3 LYS 114 OK 33 100 - 33 - 3772/1.8=6, 3794/2.9=5...(13) QB ALA 134 - HG3 LYS 114 OK 18 92 - 19 - 3772/1.8=3, 9637/2.9=3...(7) HG2 LYS 34 - HG3 LYS 114 poor 9 57 - 16 - 3772/1.8=3, 3794/2.9=2...(6) Peak 3784 from aliabs.peaks (2.76, 1.05, 24.49 ppm; 3.62 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 3.7=95, ~3824=26...(32) HE3 LYS 76 + HG3 LYS 114 OK 71 100 - 71 - 3813/1.8=10, ~3813=7...(30) HE2 LYS 76 + HG3 LYS 114 OK 67 94 - 71 - 3813/1.8=10, 3814=7...(29) HB3 ASP 40 + HG3 LYS 114 OK 49 85 - 57 - 1.8/3785=8, 3773/1.8=6...(21) HB3 ASP 137 - HG3 LYS 114 OK 17 98 - 17 - 9707/2.9=6, 3773/1.8=2...(6) HB2 ASP 41 - HG3 LYS 114 OK 15 89 - 17 - 3.8/3776=5, 898/4.9=2...(7) HG3 MET 113 - HG3 LYS 114 OK 12 62 - 20 - 3.7/3777=4, 3738/3.6=3...(8) HB2 PHE 38 - HG3 LYS 114 OK 10 100 - 10 - 4.4/10759=3 Peak 3785 from aliabs.peaks (2.82, 1.05, 24.49 ppm; 3.84 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 114 + HG3 LYS 114 OK 100 100 - 100 - 3.7=100 HB2 ASP 40 + HG3 LYS 114 OK 55 94 - 59 - 3796/2.9=9, 3774/1.8=9...(19) HB2 ASN 139 + HG3 LYS 114 OK 51 92 - 56 - ~9339=9, 3774/1.8=8...(16) HB2 ASN 130 - HG3 LYS 114 OK 16 100 - 15 - 3796/2.9=3, 3807/2.9=3...(7) Peak 3788 from aliabs.peaks (4.00, 1.42, 29.04 ppm; 4.27 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HD2 LYS 114 OK 99 100 - 99 - 4.8=71, 3737/1.8=27...(39) HB3 SER 138 + HD2 LYS 114 OK 72 100 - 72 - 3788=10, 3799/1.8=8...(25) HB2 SER 138 + HD2 LYS 114 OK 72 100 - 72 - 3788=10, 3799/1.8=8...(25) HA MET 113 + HD2 LYS 114 OK 67 100 - 68 - 4.9/9300=14, 3.6/3787=11...(20) HA LEU 69 - HD2 LYS 114 OK 16 92 - 17 - 3788=2, 3743/3.6=2...(7) HA GLU 122 - HD2 LYS 114 OK 15 77 - 19 - 3734/2.9=3, 3788=2...(7) HB3 SER 127 - HD2 LYS 114 lone 8 99 - 8 - HB3 SER 100 - HD2 LYS 114 lone 3 77 - 4 - HB2 SER 103 - HD2 LYS 114 lone 3 77 - 3 - Peak 3789 from aliabs.peaks (1.65, 1.42, 29.04 ppm; 3.38 A): 1 out of 10 assignments used, quality = 0.99: * HB2 LYS 114 + HD2 LYS 114 OK 99 100 - 99 - 3.6=84, 1.8/3790=26...(42) HD3 LYS 93 - HD2 LYS 114 OK 37 68 - 55 - 3789=7, 1.8/3072=7...(22) HG2 ARG 124 - HD2 LYS 114 OK 30 99 - 30 - ~10679=6, ~10678=6...(10) HB2 PRO 57 - HD2 LYS 114 OK 29 94 - 30 - 3789=5, ~8266=4...(11) HB3 LEU 26 - HD2 LYS 114 OK 19 99 - 19 - 3800/1.8=2, 3778/2.9=2...(9) HD2 LYS 48 - HD2 LYS 114 OK 18 62 - 29 - 3.0/3790=4, 3789=3...(14) HG2 ARG 140 - HD2 LYS 114 OK 13 99 - 13 - 3789=2, 3800/1.8=2...(6) HB VAL 71 - HD2 LYS 114 lone 3 62 - 4 - HB2 LEU 95 - HD2 LYS 114 lone 2 62 - 4 - HG2 ARG 89 - HD2 LYS 114 lone 2 62 - 3 - Peak 3790 from aliabs.peaks (1.45, 1.42, 29.04 ppm; 2.65 A): 5 out of 8 assignments used, quality = 0.94: * HB3 LYS 114 + HD2 LYS 114 OK 85 100 - 85 - 3.6=40, 3801/1.8=20...(38) HG12 ILE 91 + HD2 LYS 114 OK 34 62 - 55 - 3790=11, 1.8/3792=8...(25) HG2 LYS 24 + HD2 LYS 114 OK 23 85 - 27 - 10906=8, 3.0/10913=3...(10) HG2 LYS 48 + HD2 LYS 114 OK 15 77 - 19 - 3801/1.8=2, 3790=2...(8) HB3 LEU 66 + HD2 LYS 114 OK 12 72 - 17 - 3790=4, 3.1/9865=2...(7) HG LEU 126 - HD2 LYS 114 poor 9 89 - 10 - ~10250=3, 3801/1.8=2...(4) HB3 LYS 123 - HD2 LYS 114 lone 8 100 - 8 - 3801/1.8=1, 3779/2.9=1...(4) HG3 LYS 86 - HD2 LYS 114 lone 2 85 - 3 - Peak 3791 from aliabs.peaks (0.45, 1.42, 29.04 ppm; 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 2.9=100 QG2 VAL 82 + HD2 LYS 114 OK 48 85 - 56 - 3802/1.8=11, 3780/2.9=9...(15) Peak 3792 from aliabs.peaks (1.05, 1.42, 29.04 ppm; 3.28 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HD2 LYS 114 OK 65 85 - 76 - 3792=11, 1.8/3790=10...(36) HB2 LEU 116 + HD2 LYS 114 OK 46 100 - 46 - 3803/1.8=5, 3770/2.9=4...(23) QG2 THR 110 - HD2 LYS 114 OK 41 85 - 48 - 10638/1.8=14, 9290=9...(14) HG2 ARG 35 - HD2 LYS 114 OK 38 100 - 38 - 613=4, 4.5/10268=4...(18) Peak 3793 from aliabs.peaks (1.42, 1.42, 29.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 114 + HD2 LYS 114 OK 100 100 - 100 Peak 3794 from aliabs.peaks (1.49, 1.42, 29.04 ppm; 2.54 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 1.8=100 HB3 LEU 29 - HD2 LYS 114 OK 34 92 - 37 - 3794=9, 3783/2.9=3...(17) HG13 ILE 101 - HD2 LYS 114 OK 26 100 - 26 - 3794=7, 3772/2.9=3...(12) QB ALA 134 - HD2 LYS 114 OK 14 92 - 15 - 3794=3, 9641/3.0=2...(7) HG2 LYS 34 - HD2 LYS 114 poor 7 57 - 13 - 3794=3, 3783/2.9=1...(4) Peak 3795 from aliabs.peaks (2.76, 1.42, 29.04 ppm; 3.17 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 3.0=100 HE3 LYS 76 + HD2 LYS 114 OK 66 100 - 67 - 3795=9, 1.8/3795=7...(26) HE2 LYS 76 + HD2 LYS 114 OK 63 94 - 67 - 3795=9, 1.8/3795=7...(26) HB3 ASP 40 + HD2 LYS 114 OK 47 85 - 55 - 1.8/3796=9, 3795=8...(24) HB3 ASP 137 - HD2 LYS 114 OK 16 98 - 16 - 9707/1.8=5, 4.5/9700=2...(6) HB2 ASP 41 - HD2 LYS 114 OK 16 89 - 18 - 3.8/3787=4, 3795=2...(5) HG3 MET 113 - HD2 LYS 114 OK 14 62 - 23 - 3795=3, 3.7/3788=3...(9) HB2 PHE 38 - HD2 LYS 114 lone 8 100 - 8 - Peak 3796 from aliabs.peaks (2.82, 1.42, 29.04 ppm; 3.20 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 114 + HD2 LYS 114 OK 100 100 - 100 - 3.0=100 HB2 ASP 40 + HD2 LYS 114 OK 54 94 - 58 - 3796=12, 3807/1.8=8...(26) HB2 ASN 139 - HD2 LYS 114 OK 44 92 - 48 - 3.0/9339=11, 3796=10...(16) HB2 ASN 130 - HD2 LYS 114 OK 18 100 - 18 - 3796=4, 3807/1.8=3...(7) Peak 3799 from aliabs.peaks (4.00, 1.49, 29.04 ppm; 3.99 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HD3 LYS 114 OK 98 100 - 98 - 4.8=58, 3.0/3801=25...(36) HB3 SER 138 + HD3 LYS 114 OK 61 100 - 61 - 3788/1.8=7, 3777/2.9=6...(23) HB2 SER 138 + HD3 LYS 114 OK 61 100 - 61 - 3788/1.8=7, 3777/2.9=6...(23) HA MET 113 + HD3 LYS 114 OK 53 100 - 53 - 3.6/7409=12, 3788/1.8=7...(19) HA GLU 122 - HD3 LYS 114 OK 12 77 - 15 - 3734/2.9=3, 3777/2.9=2...(7) HA LEU 69 - HD3 LYS 114 OK 11 92 - 12 - 3788/1.8=2, 3743/3.6=1...(5) HB3 SER 127 - HD3 LYS 114 lone 6 99 - 6 - HB3 SER 100 - HD3 LYS 114 lone 4 77 - 5 - 4.5/7191=2 HB2 SER 103 - HD3 LYS 114 lone 2 77 - 3 - Peak 3800 from aliabs.peaks (1.65, 1.49, 29.04 ppm; 3.38 A): 1 out of 10 assignments used, quality = 0.99: * HB2 LYS 114 + HD3 LYS 114 OK 99 100 - 99 - 3.6=84, 1.8/3801=27...(39) HD3 LYS 93 - HD3 LYS 114 OK 35 68 - 52 - 3.0/3804=7, ~3072=5...(22) HG2 ARG 124 - HD3 LYS 114 OK 30 99 - 31 - 3.0/10678=9, 3.0/10679=7...(9) HB2 PRO 57 - HD3 LYS 114 OK 26 94 - 28 - ~8266=4, 3789/1.8=4...(10) HB3 LEU 26 - HD3 LYS 114 OK 16 99 - 16 - 3789/1.8=3, 3778/2.9=2...(7) HD2 LYS 48 - HD3 LYS 114 OK 16 62 - 25 - 3.0/3801=3, 3789/1.8=3...(11) HG2 ARG 140 - HD3 LYS 114 OK 12 99 - 12 - 3789/1.8=2, 3822/3.0=1...(5) HB VAL 71 - HD3 LYS 114 lone 3 62 - 4 - HB2 LEU 95 - HD3 LYS 114 lone 2 62 - 3 - HG2 ARG 89 - HD3 LYS 114 lone 1 62 - 2 - Peak 3801 from aliabs.peaks (1.45, 1.49, 29.04 ppm; 2.71 A): 4 out of 8 assignments used, quality = 0.94: * HB3 LYS 114 + HD3 LYS 114 OK 87 100 - 87 - 3.6=43, 3790/1.8=20...(39) HG12 ILE 91 + HD3 LYS 114 OK 33 62 - 52 - 1.8/3803=9, 3790/1.8=8...(28) HG2 LYS 24 + HD3 LYS 114 OK 18 85 - 21 - 10906/1.8=6, ~10887=2...(10) HG2 LYS 48 + HD3 LYS 114 OK 13 77 - 17 - 3790/1.8=3, 4.9/3798=2...(6) HG LEU 126 - HD3 LYS 114 poor 10 89 - 11 - ~10250=3, 3790/1.8=2...(4) HB3 LEU 66 - HD3 LYS 114 poor 9 72 - 13 - 3790/1.8=3, 3779/2.9=2...(7) HB3 LYS 123 - HD3 LYS 114 lone 7 100 - 7 - 3790/1.8=1, 3779/2.9=1...(4) HG3 LYS 86 - HD3 LYS 114 lone 3 85 - 3 - Peak 3802 from aliabs.peaks (0.45, 1.49, 29.04 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 2.9=100 QG2 VAL 82 + HD3 LYS 114 OK 51 85 - 60 - 3791/1.8=13, 3780/2.9=10...(14) Peak 3803 from aliabs.peaks (1.05, 1.49, 29.04 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 2.9=100 HG13 ILE 91 + HD3 LYS 114 OK 62 85 - 73 - 1.8/3801=10, 3792/1.8=8...(35) QG2 THR 110 - HD3 LYS 114 OK 43 85 - 50 - 10638=17, 9290/1.8=9...(15) HB2 LEU 116 - HD3 LYS 114 OK 41 100 - 41 - 3792/1.8=6, 3770/2.9=4...(20) HG2 ARG 35 - HD3 LYS 114 OK 33 100 - 33 - 3792/1.8=5, 2.9/3804=3...(16) Peak 3804 from aliabs.peaks (1.42, 1.49, 29.04 ppm; 2.62 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 1.8=100 HG3 LYS 93 - HD3 LYS 114 OK 35 85 - 41 - 3771/2.9=4, 3782/2.9=4...(17) HG12 ILE 91 - HD3 LYS 114 OK 31 62 - 50 - 1.8/3803=8, ~3792=5...(29) Peak 3805 from aliabs.peaks (1.49, 1.49, 29.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 114 + HD3 LYS 114 OK 100 100 - 100 Peak 3806 from aliabs.peaks (2.76, 1.49, 29.04 ppm; 3.32 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 3.0=100 HE3 LYS 76 + HD3 LYS 114 OK 69 100 - 69 - 3795/1.8=8, 3816=7...(34) HE2 LYS 76 + HD3 LYS 114 OK 65 94 - 69 - 3795/1.8=7, 3813/2.9=7...(33) HB3 ASP 40 + HD3 LYS 114 OK 47 85 - 55 - 1.8/3807=9, 3795/1.8=6...(25) HB3 ASP 137 - HD3 LYS 114 OK 20 98 - 20 - 9707=5, 3.8/9694=3...(7) HB2 ASP 41 - HD3 LYS 114 OK 17 89 - 19 - 3.8/3798=4, 3795/1.8=2...(10) HG3 MET 113 - HD3 LYS 114 OK 14 62 - 23 - 3.7/3799=3, 3795/1.8=2...(11) HB2 PHE 38 - HD3 LYS 114 lone 8 100 - 8 - Peak 3807 from aliabs.peaks (2.82, 1.49, 29.04 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 114 + HD3 LYS 114 OK 100 100 - 100 - 3.0=100 HB2 ASP 40 + HD3 LYS 114 OK 52 94 - 56 - 3796/1.8=9, 1.8/3806=6...(27) HB2 ASN 139 - HD3 LYS 114 OK 41 92 - 44 - ~9339=9, 3796/1.8=8...(16) HB2 ASN 130 - HD3 LYS 114 OK 17 100 - 17 - 3796/1.8=3, 3785/2.9=2...(9) Peak 3809 from aliabs.peaks (7.38, 2.76, 41.80 ppm; 4.93 A): 5 out of 8 assignments used, quality = 1.00: * H LYS 114 + HE2 LYS 114 OK 97 100 - 97 - 7.0=35, 3820/1.8=27...(28) H ASP 41 + HE2 LYS 114 OK 69 96 - 71 - 3820/1.8=18, 3787/3.0=10...(15) H ASP 41 + HB2 ASP 41 OK 59 59 - 100 - 3.8=100 H LYS 114 + HE3 LYS 76 OK 58 99 - 59 - 4.9/3813=6, 3.0/3738=6...(24) H LYS 114 + HE2 LYS 76 OK 46 81 - 58 - 4.9/3813=6, 3.0/3738=6...(23) H LYS 114 - HB2 ASP 41 OK 20 65 - 31 - 889/3.0=8, 904/1.8=7...(10) H ASP 41 - HE3 LYS 76 OK 20 95 - 21 - 6296/1.8=3, 6298=2...(8) H ASP 41 - HE2 LYS 76 OK 15 74 - 21 - 6298/1.8=2, 6296=2...(10) Peak 3810 from aliabs.peaks (4.00, 2.76, 41.80 ppm; 4.26 A): 5 out of 36 assignments used, quality = 1.00: * HA LYS 114 + HE2 LYS 114 OK 97 100 - 97 - 6.3=31, 3737/3.0=22...(32) HB3 SER 138 + HE2 LYS 114 OK 60 100 - 60 - 3799/3.0=7, 3821/1.8=7...(18) HB2 SER 138 + HE2 LYS 114 OK 60 100 - 60 - 3799/3.0=7, 3821/1.8=7...(18) HA MET 113 + HE2 LYS 114 OK 57 100 - 57 - 3.6/3809=8, 3821/1.8=7...(18) HA LYS 114 + HE3 LYS 76 OK 56 99 - 56 - 3738=7, 3.6/3813=7...(21) HA LYS 114 - HE2 LYS 76 OK 44 81 - 55 - 3738=7, 3.6/3813=7...(20) HA MET 113 - HE3 LYS 76 OK 40 99 - 41 - 3685/1.8=5, 3.6/3809=3...(18) HA MET 113 - HE2 LYS 76 OK 29 80 - 37 - 3685/1.8=4, 3.6/3809=3...(18) HA LYS 114 - HB2 ASP 41 OK 21 65 - 32 - 3730/3.8=9, 3738=4...(12) HA LEU 69 - HE3 LYS 76 OK 18 90 - 20 - 2004/3.9=4, 2003/5.1=3...(6) HA LEU 69 - HE2 LYS 114 OK 14 92 - 15 - 3788/3.0=1, 3821/1.8=1...(7) HA LEU 69 - HE2 LYS 76 OK 14 69 - 20 - 2004/3.9=4, 2003/5.1=3...(6) HB3 SER 138 - HE3 LYS 76 OK 13 99 - 13 - 3.0/10470=2, 9719=1...(5) HB2 SER 138 - HE3 LYS 76 OK 13 99 - 13 - 3.0/10470=2, 9719=1...(5) HA GLU 122 - HE2 LYS 114 OK 12 77 - 16 - 3734/3.7=2, 3799/3.0=2...(7) HB3 SER 138 - HE2 LYS 76 OK 10 80 - 13 - 3.0/10470=1, ~10470=1...(4) HB2 SER 138 - HE2 LYS 76 OK 10 79 - 13 - 3.0/10470=1, ~10470=1...(4) HA LEU 69 - HB2 ASP 41 poor 8 54 - 15 - 1999/4.5=5, ~908=2...(5) HB3 SER 138 - HB2 ASP 41 poor 8 64 - 12 - 3.0/10470=3, ~10472=3...(5) HB2 SER 138 - HB2 ASP 41 poor 8 63 - 12 - 3.0/10470=3, ~10472=3...(5) HA GLU 122 - HE3 LYS 76 lone 7 75 - 10 - 2004/3.9=1, 4059/3.9=1 HB3 SER 127 - HE2 LYS 114 lone 7 99 - 7 - HA MET 113 - HB2 ASP 41 lone 6 64 - 10 - 3687/3.8=4, 3.6/898=3 HA GLU 122 - HE2 LYS 76 lone 5 55 - 9 - 2008/3.9=1, 4059/3.9=1 HB3 SER 127 - HE3 LYS 76 lone 5 98 - 5 - 10262/5.1=1, 6806/7.4=1 HB3 SER 127 - HE2 LYS 76 lone 4 78 - 5 - 10262/5.1=1, 6806/7.4=1 HB2 SER 103 - HB2 ASP 41 lone 3 43 - 6 - HB3 SER 100 - HE2 LYS 114 lone 2 77 - 3 - HB2 SER 103 - HE2 LYS 114 lone 2 77 - 3 - HB3 SER 100 - HE3 LYS 76 lone 1 75 - 1 - HA GLU 122 - HB2 ASP 41 lone 1 43 - 2 - HB2 SER 103 - HE3 LYS 76 lone 1 75 - 1 - HB3 SER 100 - HE2 LYS 76 lone 1 55 - 1 - HB3 SER 127 - HB2 ASP 41 lone 1 62 - 1 - HB2 SER 103 - HE2 LYS 76 lone 1 55 - 1 - HB3 SER 100 - HB2 ASP 41 lone 0 43 - 1 - Peak 3811 from aliabs.peaks (1.65, 2.76, 41.80 ppm; 3.77 A): 3 out of 40 assignments used, quality = 1.00: * HB2 LYS 114 + HE2 LYS 114 OK 98 100 - 98 - 4.9=46, ~3824=20...(34) HB2 LYS 114 + HE3 LYS 76 OK 62 99 - 62 - 2.9/3813=7, 2.9/3784=6...(26) HB2 LYS 114 + HE2 LYS 76 OK 50 81 - 62 - 2.9/3813=7, 2.9/3784=6...(25) HD3 LYS 93 - HE3 LYS 76 OK 33 66 - 50 - ~3071=4, 3.0/3815=3...(29) HD3 LYS 93 - HE2 LYS 114 OK 32 68 - 47 - 3822/1.8=5, 3789/3.0=5...(21) HG2 ARG 124 - HE2 LYS 114 OK 29 99 - 29 - ~10679=5, ~10678=5...(8) HD3 LYS 93 - HE2 LYS 76 OK 24 47 - 50 - ~3071=4, 3.0/2293=3...(29) HB2 PRO 57 - HE2 LYS 114 OK 23 94 - 24 - 3789/3.0=4, 3800/3.0=3...(9) HB3 LEU 26 - HE2 LYS 114 OK 16 99 - 16 - 3789/3.0=2, 3778/3.7=2...(6) HD2 LYS 48 - HE2 LYS 114 OK 13 62 - 21 - 3789/3.0=2, 3800/3.0=2...(8) HB2 LYS 114 - HB2 ASP 41 OK 12 65 - 18 - 3742/3.8=6, 3.9/898=2...(8) HG2 ARG 140 - HE2 LYS 114 OK 12 99 - 12 - 3822/1.8=2, 3789/3.0=2...(6) HB2 PRO 57 - HE3 LYS 76 poor 10 93 - 10 - 1517/3.0=1, 1517/3.9=1 HB2 PRO 57 - HE2 LYS 76 poor 7 71 - 10 - 1517/3.0=1, 1517/3.9=1 HG2 ARG 140 - HB2 ASP 41 poor 7 62 - 11 - ~10498=3, ~10373=2...(6) HD2 LYS 48 - HE3 LYS 76 lone 5 61 - 9 - HG2 ARG 124 - HE3 LYS 76 lone 4 98 - 4 - HB3 LEU 26 - HE3 LYS 76 lone 4 98 - 4 - HD2 LYS 48 - HE2 LYS 76 lone 4 43 - 9 - HB VAL 71 - HE3 LYS 76 lone 3 61 - 6 - ~8504=2, 2.1/8504=1 HG2 ARG 124 - HE2 LYS 76 lone 3 78 - 4 - HB3 LEU 26 - HE2 LYS 76 lone 3 78 - 4 - HB VAL 71 - HE2 LYS 114 lone 3 62 - 4 - HG2 ARG 140 - HE3 LYS 76 lone 3 98 - 3 - HB VAL 71 - HE2 LYS 76 lone 2 43 - 6 - ~8504=2, 2.1/8504=2 HB2 LEU 95 - HE2 LYS 114 lone 2 62 - 4 - HG2 ARG 140 - HE2 LYS 76 lone 2 78 - 3 - HB2 LEU 95 - HE3 LYS 76 lone 2 61 - 3 - HG2 ARG 89 - HE2 LYS 114 lone 2 62 - 2 - HG2 ARG 89 - HB2 ASP 41 lone 1 33 - 4 - ~10071=1 HB2 LEU 95 - HE2 LYS 76 lone 1 43 - 3 - HB2 PRO 57 - HB2 ASP 41 lone 1 57 - 2 - HG2 ARG 124 - HB2 ASP 41 lone 1 62 - 1 - HG2 ARG 89 - HE3 LYS 76 lone 1 61 - 1 - HB3 LEU 26 - HB2 ASP 41 lone 1 62 - 1 - HB2 LEU 95 - HB2 ASP 41 lone 1 33 - 2 - 3.1/9070=1 HD3 LYS 93 - HB2 ASP 41 lone 1 37 - 2 - HG2 ARG 89 - HE2 LYS 76 lone 1 43 - 1 - HD2 LYS 48 - HB2 ASP 41 lone 0 33 - 1 - HB VAL 71 - HB2 ASP 41 lone 0 33 - 1 - Peak 3813 from aliabs.peaks (0.45, 2.76, 41.80 ppm; 3.43 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 114 + HE2 LYS 114 OK 98 100 - 98 - 3.7=81, 3824/1.8=38...(30) HG2 LYS 114 + HE3 LYS 76 OK 63 99 - 64 - 3773=8, 1.8/3784=7...(28) QG2 VAL 82 + HE3 LYS 76 OK 52 83 - 62 - 9943/3.9=13, 8664/3.0=12...(12) HG2 LYS 114 + HE2 LYS 76 OK 51 81 - 63 - 3773=7, 1.8/3784=7...(28) QG2 VAL 82 - HE2 LYS 114 OK 40 85 - 46 - 3824/1.8=9, 3791/3.0=8...(9) QG2 VAL 82 - HE2 LYS 76 OK 38 62 - 61 - 9943/3.9=13, 8664/3.0=12...(12) HG2 LYS 114 - HB2 ASP 41 poor 10 65 - 15 - 3765/3.8=4, 3773=2...(8) QG2 VAL 82 - HB2 ASP 41 lone 1 49 - 3 - Peak 3814 from aliabs.peaks (1.05, 2.76, 41.80 ppm; 3.29 A): 3 out of 20 assignments used, quality = 0.99: * HG3 LYS 114 + HE2 LYS 114 OK 96 100 - 96 - 3.7=71, ~3824=22...(31) HG3 LYS 114 + HE3 LYS 76 OK 64 99 - 64 - 3784=8, 1.8/3813=7...(27) HG3 LYS 114 + HE2 LYS 76 OK 52 81 - 64 - 3784=8, 1.8/3813=7...(27) HG13 ILE 91 - HE2 LYS 114 OK 43 85 - 51 - 3825/1.8=7, 3792/3.0=6...(19) HG13 ILE 91 - HE3 LYS 76 OK 42 83 - 50 - ~8666=8, ~8663=8...(15) QG2 THR 110 - HE2 LYS 114 OK 36 85 - 42 - 10638/3.0=11, 9287=9...(10) HB2 LEU 116 - HE2 LYS 114 OK 31 100 - 31 - 3825/1.8=4, 3792/3.0=4...(14) HG13 ILE 91 - HE2 LYS 76 OK 30 62 - 48 - ~8666=8, ~8663=8...(15) HG2 ARG 35 - HE2 LYS 114 OK 23 100 - 23 - 3825/1.8=3, 3792/3.0=3...(11) QG2 THR 110 - HE3 LYS 76 OK 20 83 - 23 - 9287=5, 9287/1.8=4...(9) QG2 THR 110 - HE2 LYS 76 OK 14 62 - 23 - 9287/1.8=4, 9287=4...(9) HG3 LYS 114 - HB2 ASP 41 poor 10 65 - 15 - 3776/3.8=4, 3784=2...(8) HB2 LEU 116 - HE3 LYS 76 lone 8 99 - 8 - 3.2/11093=2 HB2 LEU 116 - HE2 LYS 76 lone 5 80 - 7 - 3.2/11093=1, ~11093=1 HG2 ARG 35 - HE3 LYS 76 lone 3 99 - 3 - QG2 THR 110 - HB2 ASP 41 lone 3 49 - 6 - 9287=1, 3.2/9281=1 HG2 ARG 35 - HE2 LYS 76 lone 2 80 - 3 - HB2 LEU 116 - HB2 ASP 41 lone 2 65 - 3 - 3.2/11093=2 HG13 ILE 91 - HB2 ASP 41 lone 1 49 - 2 - HG2 ARG 35 - HB2 ASP 41 lone 1 64 - 1 - Peak 3815 from aliabs.peaks (1.42, 2.76, 41.80 ppm; 2.99 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 114 + HE2 LYS 114 OK 100 100 - 100 - 3.0=100 HD2 LYS 114 + HE3 LYS 76 OK 61 99 - 61 - 3795=8, 3795/1.8=6...(26) HD2 LYS 114 + HE2 LYS 76 OK 49 81 - 61 - 3795=8, 3795/1.8=6...(26) HG3 LYS 93 - HE2 LYS 114 OK 34 85 - 40 - 3826/1.8=7, 3804/3.0=6...(17) HG3 LYS 93 - HE3 LYS 76 OK 34 83 - 40 - 3060/3.0=4, 3060/3.9=3...(23) HG12 ILE 91 - HE2 LYS 114 OK 30 62 - 48 - 3826/1.8=6, ~3825=6...(18) HG12 ILE 91 - HE3 LYS 76 OK 27 61 - 44 - ~8666=7, ~8663=6...(17) HG3 LYS 93 - HE2 LYS 76 OK 25 62 - 40 - 3060/3.0=4, 3060/3.9=3...(21) HG12 ILE 91 - HE2 LYS 76 OK 19 43 - 43 - ~8666=7, ~8663=6...(17) HD2 LYS 114 - HB2 ASP 41 OK 10 65 - 16 - 3787/3.8=3, 3795=2...(4) HG3 LYS 93 - HB2 ASP 41 lone 1 49 - 1 - HG12 ILE 91 - HB2 ASP 41 lone 0 33 - 1 - Peak 3816 from aliabs.peaks (1.49, 2.76, 41.80 ppm; 2.96 A): 3 out of 20 assignments used, quality = 1.00: * HD3 LYS 114 + HE2 LYS 114 OK 99 100 - 99 - 3.0=98, 3827/1.8=20...(19) HD3 LYS 114 + HE3 LYS 76 OK 59 99 - 60 - 3806=7, 1.8/3795=6...(26) HD3 LYS 114 + HE2 LYS 76 OK 48 81 - 60 - 3806=7, 3806/1.8=6...(26) HB3 LEU 29 - HE2 LYS 114 OK 32 92 - 35 - 3827/1.8=7, 3794/3.0=5...(15) HB3 LEU 29 - HE3 LYS 76 OK 29 90 - 32 - 357/3.0=4, 357/3.9=3...(15) HG13 ILE 101 - HE2 LYS 114 OK 24 100 - 23 - 3827/1.8=4, 3794/3.0=4...(9) QB ALA 134 - HE3 LYS 76 OK 23 90 - 25 - 9641=5, 9641/1.8=4...(9) HB3 LEU 29 - HE2 LYS 76 OK 22 69 - 32 - 357/3.0=4, 357/3.9=3...(15) QB ALA 134 - HE2 LYS 114 OK 18 92 - 19 - 9641=3, 3827/1.8=3...(8) QB ALA 134 - HE2 LYS 76 OK 17 69 - 25 - 9641=5, 9641/1.8=4...(9) HD3 LYS 114 - HB2 ASP 41 poor 10 65 - 15 - 3798/3.8=3, 3806=2...(4) HG2 LYS 34 - HE2 LYS 114 poor 7 57 - 11 - 3827/1.8=2, 3794/3.0=2...(4) HG13 ILE 101 - HE3 LYS 76 lone 3 99 - 3 - HG13 ILE 101 - HE2 LYS 76 lone 2 80 - 3 - QB ALA 134 - HB2 ASP 41 lone 1 54 - 2 - HB3 LEU 29 - HB2 ASP 41 lone 1 54 - 1 - HG2 LYS 34 - HE3 LYS 76 lone 1 56 - 1 - HG13 ILE 101 - HB2 ASP 41 lone 1 65 - 1 - HG2 LYS 34 - HE2 LYS 76 lone 0 39 - 1 - HG2 LYS 34 - HB2 ASP 41 lone 0 30 - 0 - Peak 3817 from aliabs.peaks (2.76, 2.76, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 114 + HE2 LYS 114 OK 100 100 - 100 HE3 LYS 76 + HE3 LYS 76 OK 99 99 - 100 HE2 LYS 76 + HE2 LYS 76 OK 71 71 - 100 HB2 ASP 41 + HB2 ASP 41 OK 52 52 - 100 Peak 3818 from aliabs.peaks (2.82, 2.76, 41.80 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HE3 LYS 114 + HE2 LYS 114 OK 100 100 - 100 - 1.8=100 HE3 LYS 114 - HE3 LYS 76 OK 38 99 - 39 - 3828=8, 3828/1.8=5...(11) HB2 ASP 40 - HE2 LYS 114 OK 33 94 - 35 - 881=5, 3796/3.0=4...(19) HE3 LYS 114 - HE2 LYS 76 OK 31 81 - 38 - 3828=8, 3828/1.8=5...(12) HB2 ASN 139 - HE2 LYS 114 OK 21 92 - 23 - 3796/3.0=3, 3807/3.0=3...(12) HB2 ASN 130 - HE2 LYS 114 lone 10 100 - 10 - 3796/3.0=1, ~4426=1...(4) HE3 LYS 114 - HB2 ASP 41 poor 8 65 - 12 - 6295/3.8=3, 3828=2 HB2 ASP 40 - HE3 LYS 76 lone 6 93 - 7 - HB2 ASN 139 - HB2 ASP 41 poor 5 54 - 10 - 4691/1.8=3, ~892=2...(6) HB2 ASP 40 - HE2 LYS 76 lone 5 71 - 6 - HB2 ASP 40 - HB2 ASP 41 lone 3 57 - 6 - 6295/3.8=4 HB2 ASN 139 - HE3 LYS 76 lone 2 90 - 2 - HB2 ASN 139 - HE2 LYS 76 lone 1 69 - 2 - HB2 ASN 130 - HE3 LYS 76 lone 1 99 - 1 - HB2 ASN 130 - HE2 LYS 76 lone 0 79 - 1 - HB2 ASN 130 - HB2 ASP 41 lone 0 63 - 0 - Peak 3820 from aliabs.peaks (7.38, 2.82, 41.80 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 114 + HE3 LYS 114 OK 94 100 - 94 - 4.9/3824=26, 7.0=26...(26) H ASP 41 + HE3 LYS 114 OK 64 96 - 66 - 6295=12, 6296/1.8=11...(16) Peak 3821 from aliabs.peaks (4.00, 2.82, 41.80 ppm; 4.51 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 114 + HE3 LYS 114 OK 99 100 - 99 - 3.6/3824=37, 6.3=37...(38) HA MET 113 + HE3 LYS 114 OK 64 100 - 64 - 3.6/3820=17...(19) HB3 SER 138 + HE3 LYS 114 OK 62 100 - 62 - 3799/3.0=7, 3788/3.0=7...(19) HB2 SER 138 + HE3 LYS 114 OK 62 100 - 62 - 3799/3.0=7, 3788/3.0=7...(19) HA GLU 122 - HE3 LYS 114 OK 13 77 - 16 - 3734/3.7=3, 3799/3.0=2...(8) HA LEU 69 - HE3 LYS 114 OK 12 92 - 13 - 3788/3.0=2, 3766/3.7=1...(7) HB3 SER 127 - HE3 LYS 114 lone 7 99 - 7 - HB3 SER 100 - HE3 LYS 114 lone 3 77 - 3 - HB2 SER 103 - HE3 LYS 114 lone 2 77 - 3 - Peak 3822 from aliabs.peaks (1.65, 2.82, 41.80 ppm; 4.24 A): 1 out of 10 assignments used, quality = 0.99: * HB2 LYS 114 + HE3 LYS 114 OK 99 100 - 99 - 4.9=65, 2.9/3824=40...(40) HD3 LYS 93 - HE3 LYS 114 OK 41 68 - 61 - 3.0/3826=9, 3789/3.0=6...(31) HG2 ARG 124 - HE3 LYS 114 OK 33 99 - 34 - ~10679=7, ~10678=7...(9) HB2 PRO 57 - HE3 LYS 114 OK 28 94 - 30 - 10585/8139=4, 3789/3.0=4...(9) HB3 LEU 26 - HE3 LYS 114 OK 20 99 - 20 - 3778/3.7=3, 3789/3.0=3...(7) HG2 ARG 140 - HE3 LYS 114 OK 19 99 - 19 - 3.8/10368=4, 4.9/7819=3...(8) HD2 LYS 48 - HE3 LYS 114 OK 16 62 - 25 - 3789/3.0=3, 3767/3.7=2...(13) HB VAL 71 - HE3 LYS 114 lone 3 62 - 5 - HB2 LEU 95 - HE3 LYS 114 lone 3 62 - 4 - HG2 ARG 89 - HE3 LYS 114 lone 2 62 - 4 - Peak 3824 from aliabs.peaks (0.45, 2.82, 41.80 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 114 + HE3 LYS 114 OK 100 100 - 100 - 3.7=97, 1.8/3825=22...(36) QG2 VAL 82 - HE3 LYS 114 OK 36 85 - 42 - 3791/3.0=9, 3802/3.0=9...(8) Peak 3825 from aliabs.peaks (1.05, 2.82, 41.80 ppm; 3.43 A): 2 out of 5 assignments used, quality = 0.99: * HG3 LYS 114 + HE3 LYS 114 OK 98 100 - 98 - 3.7=81, 1.8/3824=38...(34) HG13 ILE 91 + HE3 LYS 114 OK 49 85 - 58 - 1.8/3826=8, 3792/3.0=6...(22) QG2 THR 110 - HE3 LYS 114 OK 36 85 - 42 - 10638/3.0=12, 9287/1.8=9...(11) HB2 LEU 116 - HE3 LYS 114 OK 32 100 - 32 - 3792/3.0=4, 3803/3.0=4...(16) HG2 ARG 35 - HE3 LYS 114 OK 25 100 - 25 - 3792/3.0=4, 2.9/3826=3...(10) Peak 3826 from aliabs.peaks (1.42, 2.82, 41.80 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 114 + HE3 LYS 114 OK 100 100 - 100 - 3.0=100 HG3 LYS 93 - HE3 LYS 114 OK 38 85 - 45 - 3804/3.0=6, 3782/3.7=4...(21) HG12 ILE 91 - HE3 LYS 114 OK 33 62 - 52 - 1.8/3825=10, 3804/3.0=5...(22) Peak 3827 from aliabs.peaks (1.49, 2.82, 41.80 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 114 + HE3 LYS 114 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 - HE3 LYS 114 OK 36 92 - 39 - 3794/3.0=6, 3783/3.7=4...(19) HG13 ILE 101 - HE3 LYS 114 OK 25 100 - 25 - 3794/3.0=4, 3772/3.7=3...(10) QB ALA 134 - HE3 LYS 114 OK 17 92 - 18 - 9641/1.8=3, 3794/3.0=2...(9) HG2 LYS 34 - HE3 LYS 114 poor 7 57 - 12 - 3794/3.0=2, 3772/3.7=1...(4) Peak 3828 from aliabs.peaks (2.76, 2.82, 41.80 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HE2 LYS 114 + HE3 LYS 114 OK 100 100 - 100 - 1.8=100 HE3 LYS 76 - HE3 LYS 114 OK 38 100 - 38 - 3818=7, 1.8/3818=4...(11) HE2 LYS 76 - HE3 LYS 114 OK 36 94 - 38 - 3818=6, 1.8/3818=4...(12) HB3 ASP 40 - HE3 LYS 114 OK 27 85 - 32 - 886=5, 4.4/3820=3...(17) HB2 ASP 41 - HE3 LYS 114 OK 11 89 - 12 - 3.8/3820=3, 3818=2 HG3 MET 113 - HE3 LYS 114 poor 8 62 - 13 - 3.7/3821=1, ~3711=1 HB3 ASP 137 - HE3 LYS 114 lone 8 98 - 8 - 9707/3.0=2 HB2 PHE 38 - HE3 LYS 114 lone 4 100 - 4 - Peak 3829 from aliabs.peaks (2.82, 2.82, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 114 + HE3 LYS 114 OK 100 100 - 100 Peak 3831 from aliabs.peaks (8.12, 4.53, 60.60 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 115 + HA TYR 115 OK 100 100 - 100 - 3.0=100 H LEU 87 + HA TYR 115 OK 53 100 - 53 - 3831=15, 3839/2.9=10...(10) Peak 3832 from aliabs.peaks (4.53, 4.53, 60.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 115 + HA TYR 115 OK 100 100 - 100 Peak 3833 from aliabs.peaks (2.95, 4.53, 60.60 ppm; 4.06 A): 1 out of 11 assignments used, quality = 1.00: * HB2 TYR 115 + HA TYR 115 OK 100 100 - 100 - 2.9=100 HB3 PHE 67 - HA TYR 115 OK 42 100 - 43 - 3833=7, 1941/3.7=7...(14) HE2 LYS 48 - HA TYR 115 OK 24 100 - 24 - 3833=4, 1.8/3833=3...(11) HE3 LYS 48 - HA TYR 115 OK 23 99 - 24 - 3833=4, 1.8/3833=3...(11) HE2 LYS 93 - HA TYR 115 OK 17 100 - 17 - 3833=3, 7429/3.0=2...(8) HE2 LYS 85 - HA TYR 115 OK 16 100 - 16 - 3833=3, 1.8/3833=2...(8) HE3 LYS 85 - HA TYR 115 OK 15 94 - 16 - 3833=2, 1.8/3833=2...(7) HE3 LYS 93 - HA TYR 115 OK 13 81 - 16 - 1.8/3833=2, 3833=2...(8) HB2 PHE 106 - HA TYR 115 OK 12 100 - 12 - 3833=2, 3849/2.9=1, 5659/3.7=1 HB2 TYR 119 - HA TYR 115 poor 8 68 - 12 - 8149/10279=6, 4502/4501=2 HB3 ASN 130 - HA TYR 115 lone 2 62 - 4 - 10691/10488=1 Peak 3834 from aliabs.peaks (2.69, 4.53, 60.60 ppm; 4.99 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 115 + HA TYR 115 OK 100 100 - 100 - 2.9=100 HB2 ASP 32 + HA TYR 115 OK 56 100 - 57 - 4.0/10812=17, 3834=9...(13) HB2 PHE 43 - HA TYR 115 OK 35 99 - 35 - 3842/2.9=5, 3834=5...(14) HB2 ASP 137 - HA TYR 115 OK 25 98 - 25 - 3834=4, 3842/2.9=4...(10) Peak 3835 from aliabs.peaks (7.31, 4.53, 60.60 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 115 + HA TYR 115 OK 100 100 - 100 - 3.7=100 H PHE 67 - HA TYR 115 OK 35 100 - 36 - 6655/2.9=7, 3851/2.9=6...(12) H ASP 30 - HA TYR 115 OK 31 99 - 32 - 3835=8, 7431/3.0=6...(8) Peak 3839 from aliabs.peaks (8.12, 2.95, 41.12 ppm; 6.37 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 4.0=100 H LEU 87 + HB2 TYR 115 OK 55 100 - 55 - 3831/2.9=17...(11) Peak 3840 from aliabs.peaks (4.53, 2.95, 41.12 ppm; 5.40 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 2.9=100 HA ASP 13 + HB2 TYR 115 OK 82 98 - 83 - 4658/2.5=46, 3848/1.8=17...(16) HA HIS 14 - HB2 TYR 115 OK 39 68 - 58 - ~11248=9, 10696/10482=8...(14) Peak 3841 from aliabs.peaks (2.95, 2.95, 41.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 115 + HB2 TYR 115 OK 100 100 - 100 Peak 3842 from aliabs.peaks (2.69, 2.95, 41.12 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 1.8=100 HB2 ASP 32 + HB2 TYR 115 OK 53 100 - 53 - 4.8/10215=13, 3834/2.9=9...(11) HB2 PHE 43 - HB2 TYR 115 OK 36 99 - 36 - 3834/2.9=6, 4660/2.5=4...(14) HB2 ASP 137 - HB2 TYR 115 OK 26 98 - 26 - 3834/2.9=4, 4660/2.5=4...(11) Peak 3843 from aliabs.peaks (7.31, 2.95, 41.12 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 115 + HB2 TYR 115 OK 100 100 - 100 - 2.5=100 H PHE 67 + HB2 TYR 115 OK 62 100 - 63 - 3851/1.8=11, 6655=10...(16) H ASP 30 - HB2 TYR 115 OK 42 99 - 42 - 3835/2.9=8, 5663/4.5=8...(9) Peak 3848 from aliabs.peaks (4.53, 2.69, 41.12 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 115 + HB3 TYR 115 OK 100 100 - 100 - 2.9=100 HA ASP 13 + HB3 TYR 115 OK 76 98 - 78 - 4658/2.5=39, 111=14...(16) HA HIS 14 - HB3 TYR 115 OK 30 68 - 44 - 3.0/6018=8, 3840/1.8=7...(13) Peak 3849 from aliabs.peaks (2.95, 2.69, 41.12 ppm; 4.50 A): 2 out of 11 assignments used, quality = 1.00: * HB2 TYR 115 + HB3 TYR 115 OK 100 100 - 100 - 1.8=100 HB3 PHE 67 + HB3 TYR 115 OK 56 100 - 56 - 1941/2.5=10, 3.7/3851=7...(16) HE2 LYS 48 - HB3 TYR 115 OK 24 100 - 24 - 3.6/10216=4, 3833/2.9=3...(9) HE3 LYS 48 - HB3 TYR 115 OK 24 99 - 24 - 3.6/10216=4, 3833/2.9=3...(9) HE2 LYS 85 - HB3 TYR 115 OK 18 100 - 18 - 3833/2.9=2, 5659/2.5=2...(8) HE2 LYS 93 - HB3 TYR 115 OK 17 100 - 17 - 3833/2.9=2, 5659/2.5=2...(8) HE3 LYS 85 - HB3 TYR 115 OK 16 94 - 17 - 3833/2.9=2, 4659/2.5=2...(7) HB2 PHE 106 - HB3 TYR 115 OK 15 100 - 14 - 5659/2.5=2, 3833/2.9=2...(7) HE3 LYS 93 - HB3 TYR 115 OK 12 81 - 15 - 3833/2.9=2, ~3833=2...(7) HB2 TYR 119 - HB3 TYR 115 lone 6 68 - 9 - 8149/10920=3...(3) HB3 ASN 130 - HB3 TYR 115 lone 2 62 - 3 - Peak 3850 from aliabs.peaks (2.69, 2.69, 41.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 115 + HB3 TYR 115 OK 100 100 - 100 Peak 3851 from aliabs.peaks (7.31, 2.69, 41.12 ppm; 5.54 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 115 + HB3 TYR 115 OK 100 100 - 100 - 2.5=100 H PHE 67 + HB3 TYR 115 OK 66 100 - 66 - 3843/1.8=14, 3835/2.9=10...(17) H ASP 30 - HB3 TYR 115 OK 43 99 - 43 - 3843/1.8=9, 5663/4.5=9...(8) Peak 3855 from aliabs.peaks (4.72, 4.72, 54.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 116 + HA LEU 116 OK 100 100 - 100 Peak 3856 from aliabs.peaks (1.05, 4.72, 54.64 ppm; 6.80 A): 5 out of 5 assignments used, quality = 1.00: * HB2 LEU 116 + HA LEU 116 OK 100 100 - 100 - 3.0=100 HG13 ILE 91 + HA LEU 116 OK 65 89 - 73 - 3888/4.0=11, 3896/3.9=11...(15) HG3 LYS 114 + HA LEU 116 OK 62 100 - 62 - ~7444=9, 3872/3.0=9...(13) HG2 ARG 35 + HA LEU 116 OK 55 100 - 55 - ~624=9, 613/3.6=9...(11) QG2 THR 110 + HA LEU 116 OK 54 81 - 66 - ~3597=12, 3872/3.0=11...(12) Peak 3859 from aliabs.peaks (1.01, 4.72, 54.64 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + HA LEU 116 OK 100 100 - 100 - 4.0=100 HG12 ILE 136 + HA LEU 116 OK 60 99 - 61 - 3867/3.0=16, 3875/3.0=16...(7) QD2 LEU 69 - HA LEU 116 OK 43 68 - 63 - 3876/3.0=15, 3868/3.0=14...(7) Peak 3860 from aliabs.peaks (1.03, 4.72, 54.64 ppm; 5.73 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 116 + HA LEU 116 OK 100 100 - 100 - 3.9=100 QG2 THR 110 + HA LEU 116 OK 51 85 - 60 - 9290/3.6=11, ~3597=10...(12) QD2 LEU 69 - HA LEU 116 OK 35 68 - 52 - 3876/3.0=12, 3868/3.0=12...(6) QG2 VAL 53 - HA LEU 116 OK 18 96 - 18 - 3868/3.0=6, 3876/3.0=4...(4) Peak 3863 from aliabs.peaks (4.72, 1.05, 44.12 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.0=100 HA SER 127 + HB2 LEU 116 OK 69 100 - 69 - 3871/1.8=13, 3887/3.1=12...(15) HA THR 51 + HB2 LEU 116 OK 56 99 - 56 - 3871/1.8=10, 3863=9...(12) HA ARG 55 - HB2 LEU 116 lone 4 72 - 5 - Peak 3864 from aliabs.peaks (1.05, 1.05, 44.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 116 + HB2 LEU 116 OK 100 100 - 100 Peak 3865 from aliabs.peaks (0.67, 1.05, 44.12 ppm; 5.15 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 1.8=100 QD1 ILE 83 + HB2 LEU 116 OK 66 89 - 74 - 10021/3.1=17...(19) QD2 LEU 66 + HB2 LEU 116 OK 55 62 - 87 - ~9393=14, ~9889=13...(27) Peak 3867 from aliabs.peaks (1.01, 1.05, 44.12 ppm; 4.46 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.1=100 HG12 ILE 136 + HB2 LEU 116 OK 76 99 - 77 - 3867=13, 3875/1.8=13...(19) QD2 LEU 69 + HB2 LEU 116 OK 54 68 - 80 - 3868=14, 3876/1.8=14...(18) Peak 3868 from aliabs.peaks (1.03, 1.05, 44.12 ppm; 4.23 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 116 + HB2 LEU 116 OK 100 100 - 100 - 3.2=100 QG2 THR 110 + HB2 LEU 116 OK 50 85 - 58 - 2.1/3597=12, 3.2/3588=10...(15) QD2 LEU 69 + HB2 LEU 116 OK 49 68 - 73 - 3868=12, 3876/1.8=12...(17) QG2 VAL 53 - HB2 LEU 116 OK 28 96 - 29 - 8236/4727=4, 3876/1.8=3...(12) Peak 3870 from aliabs.peaks (8.38, 0.67, 44.12 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.9=100 Peak 3871 from aliabs.peaks (4.72, 0.67, 44.12 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.0=100 HA SER 127 + HB3 LEU 116 OK 65 100 - 65 - 3863/1.8=13, 3887/3.1=12...(14) HA THR 51 + HB3 LEU 116 OK 52 99 - 52 - 3863/1.8=10, 3887/3.1=9...(12) HA ARG 55 - HB3 LEU 116 lone 4 72 - 5 - Peak 3872 from aliabs.peaks (1.05, 0.67, 44.12 ppm; 5.92 A): 5 out of 5 assignments used, quality = 1.00: * HB2 LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 1.8=100 HG3 LYS 114 + HB3 LEU 116 OK 77 100 - 77 - ~10231=12, 3782/3.0=9...(20) HG13 ILE 91 + HB3 LEU 116 OK 75 89 - 84 - ~9394=14, ~10230=13...(20) HG2 ARG 35 + HB3 LEU 116 OK 69 100 - 69 - ~624=9, 613/3.0=8...(23) QG2 THR 110 + HB3 LEU 116 OK 55 81 - 67 - ~3597=13, 9290/3.0=11...(15) Peak 3873 from aliabs.peaks (0.67, 0.67, 44.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 116 + HB3 LEU 116 OK 100 100 - 100 Peak 3875 from aliabs.peaks (1.01, 0.67, 44.12 ppm; 5.22 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.1=100 HG12 ILE 136 + HB3 LEU 116 OK 82 99 - 83 - 3867/1.8=16, ~10227=15...(19) QD2 LEU 69 + HB3 LEU 116 OK 58 68 - 86 - ~10228=17, ~10296=16...(20) Peak 3876 from aliabs.peaks (1.03, 0.67, 44.12 ppm; 4.77 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 116 + HB3 LEU 116 OK 100 100 - 100 - 3.2=100 QD2 LEU 69 + HB3 LEU 116 OK 55 68 - 81 - ~10228=15, ~10296=13...(18) QG2 THR 110 + HB3 LEU 116 OK 52 85 - 60 - ~3597=10, 9290/3.0=10...(13) QG2 VAL 53 - HB3 LEU 116 OK 24 96 - 25 - 3868/1.8=6, 3884/3.0=4...(8) Peak 3877 from aliabs.peaks (8.40, 0.67, 44.12 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 117 + HB3 LEU 116 OK 100 100 - 100 - 4.5=100 H GLU 75 - HB3 LEU 116 OK 43 100 - 43 - 3893/3.1=16, 3901/3.2=15...(5) Peak 3880 from aliabs.peaks (1.05, 1.40, 26.69 ppm; 3.88 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 116 + HG LEU 116 OK 100 100 - 100 - 3.0=100 HG3 LYS 114 + HG LEU 116 OK 65 100 - 65 - 3782=8, 3896/2.1=8...(26) HG13 ILE 91 + HG LEU 116 OK 56 89 - 63 - 3888/2.1=11, 3896/2.1=11...(18) HG2 ARG 35 - HG LEU 116 OK 45 100 - 45 - 613=6, 3888/2.1=5...(18) QG2 THR 110 - HG LEU 116 OK 41 81 - 50 - 9290=11, 3896/2.1=10...(11) HG2 ARG 35 - HG2 ARG 49 OK 37 78 - 48 - ~10468=7, 613=6...(21) HB2 LEU 116 - HG2 ARG 49 OK 16 78 - 20 - 3.1/3890=3, 3.2/3898=3...(5) HG3 LYS 114 - HG2 ARG 49 poor 9 78 - 12 - 3776/5.0=5, 4.9/1265=4 HG13 ILE 91 - HG2 ARG 49 poor 7 63 - 11 - ~8974=2, ~10468=2, 3.0/10700=1 QG2 THR 110 - HG2 ARG 49 lone 2 57 - 3 - 4.0/7307=1 Peak 3881 from aliabs.peaks (0.67, 1.40, 26.69 ppm; 4.27 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 116 + HG LEU 116 OK 100 100 - 100 - 3.0=100 QD1 ILE 83 + HG LEU 116 OK 56 89 - 63 - 10021/2.1=16, 10005=12...(18) QD2 LEU 66 + HG LEU 116 OK 50 62 - 80 - 2.1/9865=17, ~9393=13...(22) QD1 ILE 83 - HG2 ARG 49 OK 33 63 - 52 - ~11136=9, 10005=8...(20) HB3 LEU 116 - HG2 ARG 49 OK 18 78 - 23 - 3.1/3890=3, 3.2/3898=3...(11) QD2 LEU 66 - HG2 ARG 49 lone 3 42 - 6 - Peak 3882 from aliabs.peaks (1.40, 1.40, 26.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 116 + HG LEU 116 OK 100 100 - 100 HG2 ARG 49 + HG2 ARG 49 OK 69 69 - 100 Peak 3883 from aliabs.peaks (1.01, 1.40, 26.69 ppm; 3.83 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 116 + HG LEU 116 OK 100 100 - 100 - 2.1=100 HG12 ILE 136 + HG LEU 116 OK 68 99 - 69 - 3899/2.1=12, ~10227=11...(19) QD2 LEU 69 + HG LEU 116 OK 49 68 - 73 - ~10228=13, 3892/2.1=12...(20) QD1 LEU 116 - HG2 ARG 49 OK 25 78 - 32 - 3890=4, 10691/3.0=4...(16) HG12 ILE 136 - HG2 ARG 49 OK 19 75 - 26 - ~9669=6, ~9669=6...(8) QD2 LEU 69 - HG2 ARG 49 poor 9 45 - 20 - 2.1/2038=2, 3.2/2022=2...(9) Peak 3884 from aliabs.peaks (1.03, 1.40, 26.69 ppm; 3.86 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 116 + HG LEU 116 OK 100 100 - 100 - 2.1=100 QD2 LEU 69 + HG LEU 116 OK 49 68 - 73 - ~10228=13, 3884=12...(18) QG2 THR 110 - HG LEU 116 OK 40 85 - 47 - 9290=12, 3896/2.1=7...(13) QG2 VAL 53 - HG LEU 116 OK 23 96 - 24 - 3868/3.0=3, 3892/2.1=3...(8) QD2 LEU 116 - HG2 ARG 49 OK 22 78 - 28 - 3898=4, 2.1/3890=4...(14) QD2 LEU 69 - HG2 ARG 49 poor 9 45 - 19 - 2.1/2038=2, 3.2/2022=2...(9) QG2 VAL 53 - HG2 ARG 49 lone 4 71 - 5 - 10450/1265=2 QG2 THR 110 - HG2 ARG 49 lone 1 60 - 2 - 4.0/7307=1 Peak 3886 from aliabs.peaks (8.38, 1.01, 27.97 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 4.6=100 Peak 3887 from aliabs.peaks (4.72, 1.01, 27.97 ppm; 5.56 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 4.0=100 HA SER 127 + QD1 LEU 116 OK 49 100 - 49 - 3887=10, 3895/2.1=10...(10) HA THR 51 - QD1 LEU 116 OK 36 99 - 36 - 3887=8, 3863/3.1=7...(8) HA ARG 55 - QD1 LEU 116 lone 2 72 - 3 - Peak 3888 from aliabs.peaks (1.05, 1.01, 27.97 ppm; 2.73 A): 4 out of 5 assignments used, quality = 0.94: * HB2 LEU 116 + QD1 LEU 116 OK 80 100 - 81 - 3.1=65, 3896/2.1=18...(10) HG13 ILE 91 + QD1 LEU 116 OK 40 89 - 45 - 3888=11, 3896/2.1=7...(14) HG3 LYS 114 + QD1 LEU 116 OK 32 100 - 32 - 3896/2.1=5, 3782/2.1=4...(11) QG2 THR 110 + QD1 LEU 116 OK 26 81 - 31 - 3888=10, 3896/2.1=7...(10) HG2 ARG 35 - QD1 LEU 116 OK 22 100 - 22 - 3896/2.1=3, 2.9/3890=3...(8) Peak 3889 from aliabs.peaks (0.67, 1.01, 27.97 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 3.1=100 QD1 ILE 83 - QD1 LEU 116 OK 44 89 - 49 - 10021=10, 10005/2.1=8...(19) QD2 LEU 66 - QD1 LEU 116 OK 42 62 - 68 - 2.1/9393=15, 3897/2.1=8...(25) Peak 3890 from aliabs.peaks (1.40, 1.01, 27.97 ppm; 3.40 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 2.1=100 HG2 LYS 36 + QD1 LEU 116 OK 49 100 - 49 - 3890=6, 3898/2.1=6...(18) HB2 ARG 35 - QD1 LEU 116 OK 43 100 - 43 - 3890=7, 3898/2.1=5...(21) HG3 LYS 93 - QD1 LEU 116 OK 28 81 - 34 - 2.9/10229=6, 3890=5...(15) HG2 ARG 49 - QD1 LEU 116 OK 24 94 - 26 - 3.0/10691=3, 3883=3...(7) HB2 ARG 109 - QD1 LEU 116 OK 13 68 - 19 - 9273/3.1=3, 3.0/10176=3...(6) HB VAL 82 - QD1 LEU 116 poor 9 77 - 11 - ~8809=1 HG2 LYS 86 - QD1 LEU 116 poor 8 72 - 11 - 3890=2, 1.8/10690=1, 3898/2.1=1 Peak 3891 from aliabs.peaks (1.01, 1.01, 27.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 116 + QD1 LEU 116 OK 100 100 - 100 Peak 3892 from aliabs.peaks (1.03, 1.01, 27.97 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 116 + QD1 LEU 116 OK 100 100 - 100 - 2.1=100 QD2 LEU 69 - QD1 LEU 116 OK 32 68 - 47 - 3892=11, 2.1/10228=9...(14) QG2 THR 110 - QD1 LEU 116 OK 20 85 - 23 - 3888=6, 3896/2.1=4...(9) QG2 VAL 53 - QD1 LEU 116 lone 9 96 - 9 - 8241/9374=1, 3884/2.1=1 Peak 3893 from aliabs.peaks (8.40, 1.01, 27.97 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.93: * H TYR 117 + QD1 LEU 116 OK 85 100 - 85 - 7454=30, 3901/2.1=26...(16) H GLU 75 + QD1 LEU 116 OK 52 100 - 52 - 3901/2.1=13, 3893=11...(13) Peak 3894 from aliabs.peaks (8.38, 1.03, 24.44 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 116 + QD2 LEU 116 OK 98 100 - 98 - 5.0=74, 3878/2.1=37...(18) Peak 3895 from aliabs.peaks (4.72, 1.03, 24.44 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 116 + QD2 LEU 116 OK 100 100 - 100 - 3.9=100 HA SER 127 - QD2 LEU 116 OK 30 100 - 30 - 3895=7, 3.0/9375=5...(9) HA THR 51 - QD2 LEU 116 OK 20 99 - 20 - 3895=5, 3863/3.2=4...(6) HA ARG 55 - QD2 LEU 116 lone 1 72 - 1 - Peak 3896 from aliabs.peaks (1.05, 1.03, 24.44 ppm; 2.50 A): 5 out of 5 assignments used, quality = 0.92: * HB2 LEU 116 + QD2 LEU 116 OK 72 100 - 72 - 3.2=49, 3888/2.1=16...(10) HG13 ILE 91 + QD2 LEU 116 OK 36 89 - 41 - 3896=11, 3888/2.1=6...(13) HG3 LYS 114 + QD2 LEU 116 OK 29 100 - 29 - 2.9/10231=4, 3888/2.1=4...(7) QG2 THR 110 + QD2 LEU 116 OK 25 81 - 30 - 3896=11, 3888/2.1=5...(8) HG2 ARG 35 + QD2 LEU 116 OK 16 100 - 16 - 3888/2.1=3, 2.9/3898=2...(4) Peak 3897 from aliabs.peaks (0.67, 1.03, 24.44 ppm; 3.34 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 116 + QD2 LEU 116 OK 100 100 - 100 - 3.2=100 QD2 LEU 66 + QD2 LEU 116 OK 47 62 - 76 - 2.1/9856=14, 4.0/8390=10...(29) QD1 ILE 83 - QD2 LEU 116 OK 43 89 - 48 - 10021/2.1=11...(20) Peak 3898 from aliabs.peaks (1.40, 1.03, 24.44 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 116 + QD2 LEU 116 OK 100 100 - 100 - 2.1=100 HG2 LYS 36 - QD2 LEU 116 OK 42 100 - 42 - 3898=6, 3890/2.1=5...(17) HB2 ARG 35 - QD2 LEU 116 OK 38 100 - 38 - 3898=7, 3890/2.1=5...(19) HG3 LYS 93 - QD2 LEU 116 OK 26 81 - 32 - 3898=4, 3890/2.1=3...(15) HG2 ARG 49 - QD2 LEU 116 OK 19 94 - 21 - 3890/2.1=3, 3884=3...(6) HB2 ARG 109 - QD2 LEU 116 OK 13 68 - 19 - 2.8/11090=3, 9273/3.2=2...(7) HB VAL 82 - QD2 LEU 116 lone 7 77 - 9 - HG2 LYS 86 - QD2 LEU 116 lone 7 72 - 9 - 3898=1 Peak 3899 from aliabs.peaks (1.01, 1.03, 24.44 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 116 + QD2 LEU 116 OK 100 100 - 100 - 2.1=100 HG12 ILE 136 - QD2 LEU 116 OK 45 99 - 45 - 3899=13, 3883/2.1=5...(15) QD2 LEU 69 - QD2 LEU 116 OK 36 68 - 54 - 2.1/2042=9, 3892/2.1=7...(17) Peak 3900 from aliabs.peaks (1.03, 1.03, 24.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 116 + QD2 LEU 116 OK 100 100 - 100 Peak 3901 from aliabs.peaks (8.40, 1.03, 24.44 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.93: * H TYR 117 + QD2 LEU 116 OK 87 100 - 87 - 7455=32, 3.6/3895=24...(16) H GLU 75 + QD2 LEU 116 OK 43 100 - 43 - 3893/2.1=13, 3901=11...(9) Peak 3903 from aliabs.peaks (4.75, 4.75, 62.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 117 + HA TYR 117 OK 100 100 - 100 Peak 3918 from aliabs.peaks (7.14, 3.21, 37.52 ppm; 5.76 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 117 + HB3 TYR 117 OK 100 100 - 100 - 2.7=100 QD PHE 106 + HB3 TYR 117 OK 46 77 - 59 - 3912/1.8=15, ~3442=12...(9) HZ PHE 106 - HB3 TYR 117 OK 19 89 - 22 - ~5645=10, 5648/2.7=6...(4) Peak 3926 from aliabs.peaks (2.41, 3.85, 49.82 ppm; 6.80 A): 7 out of 10 assignments used, quality = 1.00: * HB3 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 3.0=100 HG3 GLN 133 + HD2 PRO 118 OK 94 98 - 96 - 2.9/3928=13, 2.9/3928=13...(46) HG2 GLN 133 + HD2 PRO 118 OK 93 96 - 96 - 2.9/3928=13, 2.9/3928=13...(46) QE MET 46 + HD2 PRO 118 OK 74 94 - 78 - 10478/4.8=19...(24) HG3 GLN 47 + HD2 PRO 118 OK 49 85 - 57 - ~10981=7, 3934/1.8=4...(25) HG2 GLN 47 + HD2 PRO 118 OK 49 85 - 57 - ~10981=7, 3934/1.8=4...(25) HG2 MET 46 + HD2 PRO 118 OK 47 62 - 76 - ~10489=17, ~1080=8...(28) HG3 GLN 25 - HD2 PRO 118 OK 39 68 - 58 - ~11031=11, 2.9/3927=6...(24) HB ILE 91 - HD2 PRO 118 OK 18 89 - 20 - 3.2/8990=3, ~2980=1...(10) HG3 MET 59 - HD2 PRO 118 OK 14 68 - 20 - 3.4/10402=6, ~1635=2...(4) Peak 3927 from aliabs.peaks (2.11, 3.85, 49.82 ppm; 4.70 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HD2 PRO 118 OK 85 92 - 93 - 3975/2.3=13, 472/1.8=12...(45) HB3 LYS 36 + HD2 PRO 118 OK 70 96 - 73 - 673=11, 3.0/684=8...(25) HB3 GLN 25 - HD2 PRO 118 OK 36 94 - 38 - 3975/2.3=4, 3959/3.0=4...(21) HG2 GLU 122 - HD2 PRO 118 OK 11 68 - 17 - 9444/4.6=3, 3927=2...(7) HB VAL 73 - HD2 PRO 118 poor 10 72 - 14 - 3943/3.6=2, 3959/3.0=1 HB3 GLU 142 - HD2 PRO 118 lone 7 81 - 8 - Peak 3928 from aliabs.peaks (2.14, 3.85, 49.82 ppm; 4.87 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 2.3=100 HB3 GLN 133 + HD2 PRO 118 OK 97 100 - 97 - 3968/2.3=12, 3928=11...(61) HB2 GLN 133 + HD2 PRO 118 OK 96 100 - 97 - 3968/2.3=12, 3928=12...(63) HB VAL 53 - HD2 PRO 118 OK 43 62 - 69 - ~8245=8, ~1397=7...(26) HG LEU 29 - HD2 PRO 118 OK 38 77 - 50 - ~10851=11, 2.1/8061=9...(13) HG2 GLU 81 - HD2 PRO 118 OK 38 92 - 41 - 3928=6, ~2466=4...(18) HB2 GLU 75 - HD2 PRO 118 OK 15 62 - 24 - 3.9/11707=4, 3.0/8645=4...(6) Peak 3929 from aliabs.peaks (3.85, 3.85, 49.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 118 + HD2 PRO 118 OK 100 100 - 100 Peak 3930 from aliabs.peaks (4.09, 3.85, 49.82 ppm; 5.29 A): 4 out of 7 assignments used, quality = 1.00: * HD3 PRO 118 + HD2 PRO 118 OK 100 100 - 100 - 1.8=100 HD3 PRO 33 + HD2 PRO 118 OK 92 98 - 94 - ~480=12, 3970/2.3=12...(43) HA VAL 53 + HD2 PRO 118 OK 70 89 - 79 - 3970/2.3=8, 3978/2.3=8...(32) HA LEU 132 + HD2 PRO 118 OK 50 77 - 65 - 3.6/7684=11, 3.8/9572=6...(24) HA LYS 34 - HD2 PRO 118 OK 23 62 - 38 - 10581/2.3=8, ~6161=5...(13) HA PRO 52 - HD2 PRO 118 OK 23 68 - 34 - 10456/3.0=4, 2.3/10642=4...(12) HA GLU 90 - HD2 PRO 118 OK 10 77 - 13 - ~7032=1, ~7038=1...(4) Peak 3935 from aliabs.peaks (2.11, 4.09, 49.82 ppm; 5.87 A): 4 out of 7 assignments used, quality = 1.00: * HG2 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HD3 PRO 118 OK 88 92 - 96 - 3975/2.3=14, 1.8/480=14...(44) HB3 LYS 36 + HD3 PRO 118 OK 76 96 - 79 - 673/1.8=12, ~684=9...(22) HB3 GLN 25 + HD3 PRO 118 OK 49 94 - 52 - 3927/1.8=6, 3959/3.0=5...(25) HG2 GLU 122 - HD3 PRO 118 OK 15 68 - 23 - 9444/4.6=5, 3943/3.6=2...(12) HB VAL 73 - HD3 PRO 118 OK 12 72 - 16 - 3943/3.6=2, 3959/3.0=2...(7) HB3 GLU 142 - HD3 PRO 118 poor 9 81 - 10 - 3927/1.8=1 Peak 3936 from aliabs.peaks (2.14, 4.09, 49.82 ppm; 6.80 A): 6 out of 7 assignments used, quality = 1.00: * HG3 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 2.3=100 HB3 GLN 133 + HD3 PRO 118 OK 100 100 - 100 - 1.8/3936=13, 3.0/3937=13...(68) HB2 GLN 133 + HD3 PRO 118 OK 99 100 - 100 - 3.0/3937=13, ~3977=13...(67) HB VAL 53 + HD3 PRO 118 OK 52 62 - 83 - ~8245=13, ~8245=10...(28) HG LEU 29 + HD3 PRO 118 OK 49 77 - 64 - 2.1/10851=14, ~8061=11...(16) HG2 GLU 81 + HD3 PRO 118 OK 47 92 - 51 - 3936=6, 3928/1.8=6...(17) HB2 GLU 75 - HD3 PRO 118 OK 18 62 - 28 - 2209/4.8=5, ~2216=5...(7) Peak 3937 from aliabs.peaks (3.85, 4.09, 49.82 ppm; 5.41 A): 4 out of 7 assignments used, quality = 1.00: * HD2 PRO 118 + HD3 PRO 118 OK 100 100 - 100 - 1.8=100 HA LYS 36 + HD3 PRO 118 OK 71 98 - 73 - 11600/4.5=18...(21) HA GLN 133 + HD3 PRO 118 OK 66 72 - 91 - ~7684=10, ~3968=9...(38) HA MET 68 + HD3 PRO 118 OK 59 98 - 61 - ~6663=10, 3977/2.3=7...(23) HA LEU 72 - HD3 PRO 118 OK 17 81 - 20 - ~8533=4, 2112/4.8=3...(7) HA ALA 104 - HD3 PRO 118 OK 12 89 - 13 - 3977/2.3=2, ~3405=1...(5) HB2 SER 127 - HD3 PRO 118 poor 9 81 - 11 - ~4326=2, ~4316=1...(5) Peak 3938 from aliabs.peaks (4.09, 4.09, 49.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 118 + HD3 PRO 118 OK 100 100 - 100 Peak 3940 from aliabs.peaks (4.30, 4.30, 66.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 118 + HA PRO 118 OK 100 100 - 100 Peak 3941 from aliabs.peaks (1.93, 4.30, 66.72 ppm; 4.76 A): 6 out of 11 assignments used, quality = 1.00: * HB2 PRO 118 + HA PRO 118 OK 100 100 - 100 - 2.3=100 HB2 ARG 140 + HA PRO 118 OK 83 100 - 84 - 2.9/4733=9, 2.9/4742=9...(41) HB ILE 136 + HA PRO 118 OK 62 98 - 64 - 2.1/10329=9, 9674/2.3=7...(26) HB2 ARG 89 + HA PRO 118 OK 62 100 - 62 - 2859=7, 1.8/2867=6...(31) HB3 LEU 132 + HA PRO 118 OK 47 92 - 51 - 7463/3.6=7, 3957/2.3=5...(19) HG3 PRO 12 + HA PRO 118 OK 45 94 - 48 - ~8001=8, ~10666=5...(23) HB3 PRO 52 - HA PRO 118 OK 41 94 - 43 - ~10640=6, ~10456=5...(20) HG2 PRO 52 - HA PRO 118 OK 34 92 - 37 - ~10640=6, ~10453=5...(16) HB2 LYS 86 - HA PRO 118 OK 17 92 - 18 - 3941=2, 3957/2.3=1...(7) HG13 ILE 83 - HA PRO 118 OK 16 100 - 16 - 3941=1, 3957/2.3=1...(4) QE MET 68 - HA PRO 118 OK 15 62 - 24 - 8420=4, 3.3/3942=2...(12) Peak 3942 from aliabs.peaks (2.41, 4.30, 66.72 ppm; 4.60 A): 4 out of 10 assignments used, quality = 1.00: * HB3 PRO 118 + HA PRO 118 OK 100 100 - 100 - 2.3=100 HG3 GLN 133 + HA PRO 118 OK 70 98 - 71 - 2.9/3944=9, 2.9/3944=9...(24) HG2 GLN 133 + HA PRO 118 OK 69 96 - 71 - 2.9/3944=9, 2.9/3944=9...(24) QE MET 46 + HA PRO 118 OK 55 94 - 58 - 4.2/9415=17...(19) HG2 MET 46 - HA PRO 118 OK 36 62 - 58 - 3.0/9415=22, ~1080=6...(23) HG3 GLN 47 - HA PRO 118 OK 23 85 - 26 - 3942=3, 1.8/3942=3...(11) HG2 GLN 47 - HA PRO 118 OK 23 85 - 26 - 3942=3, 1.8/3942=3...(11) HG3 GLN 25 - HA PRO 118 OK 17 68 - 25 - ~11031=5, 2.9/3943=3...(13) HB ILE 91 - HA PRO 118 OK 10 89 - 12 - 1062/9415=1, 4.0/7047=1 HG3 MET 59 - HA PRO 118 lone 6 68 - 9 - Peak 3943 from aliabs.peaks (2.11, 4.30, 66.72 ppm; 4.37 A): 2 out of 7 assignments used, quality = 1.00: * HG2 PRO 118 + HA PRO 118 OK 100 100 - 100 - 3.8=100 HG2 PRO 33 + HA PRO 118 OK 50 92 - 55 - 3975/3.8=9, 3951/2.3=9...(14) HB3 LYS 36 - HA PRO 118 OK 29 96 - 31 - 673/3.6=7, 3959/2.3=6...(7) HB3 GLN 25 - HA PRO 118 OK 22 94 - 24 - 3959/2.3=4, 3951/2.3=3...(11) HB VAL 73 - HA PRO 118 OK 12 72 - 16 - 2.1/8566=7, 2.1/8574=4...(4) HG2 GLU 122 - HA PRO 118 OK 11 68 - 17 - 7465/3.6=7, 3943=2...(5) HB3 GLU 142 - HA PRO 118 lone 3 81 - 4 - Peak 3944 from aliabs.peaks (2.14, 4.30, 66.72 ppm; 4.32 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 118 + HA PRO 118 OK 100 100 - 100 - 3.8=100 HB3 GLN 133 + HA PRO 118 OK 82 100 - 82 - 3944=11, 1.8/3944=10...(31) HB2 GLN 133 + HA PRO 118 OK 82 100 - 82 - 3944=11, 1.8/3944=10...(31) HB VAL 53 - HA PRO 118 OK 20 62 - 32 - ~8245=8, ~8245=6...(11) HG2 GLU 81 - HA PRO 118 OK 18 92 - 19 - 3960/2.3=3, 3944=3...(8) HG LEU 29 - HA PRO 118 OK 12 77 - 15 - ~8066=5, 9769/3.6=3...(5) HB2 GLU 75 - HA PRO 118 lone 3 62 - 5 - 2208/3.6=2 Peak 3948 from aliabs.peaks (4.30, 1.93, 30.04 ppm; 3.00 A): 4 out of 8 assignments used, quality = 1.00: * HA PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 2.3=100 HA ARG 140 + HB2 ARG 140 OK 96 97 - 100 - 3.0=99, 4724/1.8=14...(48) HA ARG 89 + HB2 ARG 140 OK 65 91 - 71 - 2850=10, 4724/1.8=9...(40) HA PRO 118 + HB2 ARG 140 OK 47 97 - 48 - 4724/1.8=6, 4742/2.9=5...(26) HA ARG 140 - HB2 PRO 118 OK 44 100 - 44 - 4705=7, 3956/1.8=5...(25) HA ARG 89 - HB2 PRO 118 OK 25 96 - 26 - 2850=4, 3.0/2868=2...(11) HA SER 100 - HB2 PRO 118 OK 14 96 - 14 - 3307/3.0=2, 2.9/9166=2...(5) HA SER 100 - HB2 ARG 140 lone 5 91 - 6 - Peak 3949 from aliabs.peaks (1.93, 1.93, 30.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 118 + HB2 PRO 118 OK 100 100 - 100 HB2 ARG 140 + HB2 ARG 140 OK 96 96 - 100 Peak 3950 from aliabs.peaks (2.41, 1.93, 30.04 ppm; 5.52 A): 8 out of 20 assignments used, quality = 1.00: * HB3 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 1.8=100 HG3 GLN 133 + HB2 PRO 118 OK 94 98 - 96 - 4.0/4528=12, 2.9/3952=10...(52) HG2 GLN 133 + HB2 PRO 118 OK 92 96 - 96 - 4.0/4528=12, 2.9/3952=10...(52) HB3 PRO 118 + HB2 ARG 140 OK 90 97 - 93 - 3956/3.0=12, 2.3/3951=8...(47) QE MET 46 + HB2 PRO 118 OK 58 94 - 61 - 10489/2.3=17, 3942/2.3=7...(18) HG2 MET 46 + HB2 PRO 118 OK 48 62 - 77 - ~9415=20, ~9415=14...(27) HG3 GLN 47 + HB2 PRO 118 OK 45 85 - 53 - ~10981=4, 3974/2.3=4...(30) HG2 GLN 47 + HB2 PRO 118 OK 45 85 - 53 - ~10981=4, 3974/2.3=4...(30) HG3 GLN 25 - HB2 PRO 118 OK 36 68 - 53 - 3.5/11031=11, ~3959=4...(26) QE MET 46 - HB2 ARG 140 OK 32 89 - 36 - 10684/4.0=5, 1087/3.4=4...(7) HG3 GLN 47 - HB2 ARG 140 OK 18 80 - 22 - ~10474=6, 4.9/4713=5...(7) HG2 GLN 47 - HB2 ARG 140 OK 18 80 - 22 - ~10474=6, 4.9/4713=5...(7) HG2 MET 46 - HB2 ARG 140 OK 17 57 - 30 - 1071/3.4=3, ~10490=2...(17) HB ILE 91 - HB2 PRO 118 OK 17 89 - 19 - ~8990=2, 4.0/11699=2...(11) HG3 MET 59 - HB2 PRO 118 OK 14 68 - 20 - ~10402=3, ~10564=2...(5) HG3 GLN 133 - HB2 ARG 140 OK 14 93 - 15 - 3.5/9606=3, 4.0/4528=1 HG2 GLN 133 - HB2 ARG 140 OK 13 91 - 15 - 3.5/9606=3, 4.0/4528=1 HB ILE 91 - HB2 ARG 140 poor 9 83 - 10 - 4.0/11699=2...(3) HG3 MET 59 - HB2 ARG 140 lone 4 62 - 7 - HG3 GLN 25 - HB2 ARG 140 lone 3 62 - 4 - 3.5/11031=1 Peak 3951 from aliabs.peaks (2.11, 1.93, 30.04 ppm; 3.36 A): 3 out of 14 assignments used, quality = 1.00: * HG2 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HB2 PRO 118 OK 63 92 - 69 - 3975/2.3=9, 472/3.0=7...(41) HG2 PRO 118 + HB2 ARG 140 OK 49 97 - 51 - 3965=6, 1.8/3973=4...(28) HB3 LYS 36 - HB2 PRO 118 OK 36 96 - 38 - 3975/2.3=5, 673/3.0=5...(21) HB3 GLN 25 - HB2 PRO 118 OK 23 94 - 24 - 3975/2.3=3, 4.4/11031=3...(10) HB VAL 73 - HB2 PRO 118 poor 7 72 - 10 - ~8566=3, ~8574=2, 3943/2.3=1 HG2 GLU 122 - HB2 PRO 118 poor 7 68 - 11 - 7465/4.3=3, 3943/2.3=1 HB VAL 73 - HB2 ARG 140 poor 7 67 - 10 - ~8566=3, ~8574=3...(4) HB3 GLU 142 - HB2 ARG 140 lone 5 76 - 7 - 4.0/4721=3, 4845/4.7=3 HB3 LYS 36 - HB2 ARG 140 lone 4 91 - 4 - HB3 GLU 142 - HB2 PRO 118 lone 3 81 - 4 - HG2 PRO 33 - HB2 ARG 140 lone 2 86 - 2 - HB3 GLN 25 - HB2 ARG 140 lone 1 89 - 1 - HG2 GLU 122 - HB2 ARG 140 lone 1 62 - 1 - Peak 3952 from aliabs.peaks (2.14, 1.93, 30.04 ppm; 3.85 A): 4 out of 14 assignments used, quality = 1.00: * HG3 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 2.3=100 HB3 GLN 133 + HB2 PRO 118 OK 91 100 - 91 - 3968/2.3=10, 3.0/4528=8...(69) HB2 GLN 133 + HB2 PRO 118 OK 91 100 - 91 - 3968/2.3=10, 3.0/4528=8...(69) HG3 PRO 118 + HB2 ARG 140 OK 61 97 - 63 - 1.8/3951=7, 3973=5...(36) HB VAL 53 - HB2 PRO 118 OK 34 62 - 54 - ~8245=8, ~8245=6...(27) HG2 GLU 81 - HB2 PRO 118 OK 25 92 - 27 - 3960/1.8=3, 3968/2.3=3...(13) HG LEU 29 - HB2 PRO 118 OK 24 77 - 32 - ~10851=5, ~8066=4...(13) HG2 GLU 81 - HB2 ARG 140 poor 9 86 - 11 - 3.0/4718=1 HB3 GLN 133 - HB2 ARG 140 lone 8 97 - 8 - 4.5/9606=1, 3.0/4528=1 HB2 GLN 133 - HB2 ARG 140 lone 8 97 - 8 - 4.5/9606=1, 3.0/4528=1 HB2 GLU 75 - HB2 PRO 118 lone 6 62 - 9 - ~2216=2, 2208/3.0=1...(4) HB VAL 53 - HB2 ARG 140 lone 2 57 - 3 - HG LEU 29 - HB2 ARG 140 lone 1 71 - 2 - HB2 GLU 75 - HB2 ARG 140 lone 1 57 - 2 - Peak 3954 from aliabs.peaks (4.09, 1.93, 30.04 ppm; 5.35 A): 5 out of 14 assignments used, quality = 1.00: * HD3 PRO 118 + HB2 PRO 118 OK 100 100 - 100 - 3.0=100 HD3 PRO 33 + HB2 PRO 118 OK 92 98 - 94 - 3970/2.3=12, 3978/2.3=12...(44) HD3 PRO 118 + HB2 ARG 140 OK 79 97 - 81 - 2.3/3951=8, ~3964=7...(39) HA VAL 53 + HB2 PRO 118 OK 71 89 - 80 - ~8245=10, 3970/2.3=8...(32) HA LEU 132 + HB2 PRO 118 OK 56 77 - 73 - 3.6/7680=10, 4.9/4528=9...(27) HA PRO 52 - HB2 PRO 118 OK 30 68 - 44 - 3.6/11712=7, ~10642=5...(17) HA GLU 90 - HB2 ARG 140 OK 22 71 - 31 - 4.9/2850=9, 2.9/7032=7...(7) HA LYS 34 - HB2 PRO 118 OK 22 62 - 35 - 10581/2.3=8, ~6161=4...(12) HA GLU 90 - HB2 PRO 118 OK 15 77 - 19 - 4.9/2850=3, ~7031=3...(6) HA LEU 132 - HB2 ARG 140 OK 13 71 - 18 - 4.9/4528=1, 3.6/7680=1...(5) HA VAL 53 - HB2 ARG 140 poor 9 83 - 11 - 9846/1.8=2, 10626/4.0=2 HA PRO 52 - HB2 ARG 140 poor 7 62 - 11 - HD3 PRO 33 - HB2 ARG 140 lone 5 93 - 6 - HA LYS 34 - HB2 ARG 140 lone 2 57 - 3 - Peak 3956 from aliabs.peaks (4.30, 2.41, 30.04 ppm; 6.05 A): 3 out of 4 assignments used, quality = 1.00: * HA PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 2.3=100 HA ARG 140 + HB3 PRO 118 OK 85 100 - 85 - 3964/2.3=13, 3972/2.3=13...(30) HA ARG 89 + HB3 PRO 118 OK 56 96 - 58 - ~2859=7, 3964/2.3=7...(20) HA SER 100 - HB3 PRO 118 OK 45 96 - 47 - 3972/2.3=7, 3964/2.3=6...(16) Peak 3957 from aliabs.peaks (1.93, 2.41, 30.04 ppm; 5.16 A): 8 out of 11 assignments used, quality = 1.00: * HB2 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 1.8=100 HB2 ARG 140 + HB3 PRO 118 OK 91 100 - 91 - 3.0/3956=11, 3951/2.3=8...(47) HB ILE 136 + HB3 PRO 118 OK 81 98 - 83 - ~9667=13, ~9667=10...(33) HB3 LEU 132 + HB3 PRO 118 OK 71 92 - 77 - 3.8/7688=8, 7463/4.3=7...(36) HB2 ARG 89 + HB3 PRO 118 OK 69 100 - 70 - 2859/2.3=9, ~2867=7...(32) HB3 PRO 52 + HB3 PRO 118 OK 61 94 - 65 - 2.3/10456=8, 3.0/10453=7...(33) HG2 PRO 52 + HB3 PRO 118 OK 53 92 - 58 - 2.3/10453=8, 2.3/10455=7...(25) HG3 PRO 12 + HB3 PRO 118 OK 51 94 - 55 - 2.3/8001=13, 1.8/11051=5...(23) QE MET 68 - HB3 PRO 118 OK 29 62 - 46 - ~1984=4, 8420/2.3=3...(26) HG13 ILE 83 - HB3 PRO 118 OK 22 100 - 22 - ~10031=4, ~10010=2...(8) HB2 LYS 86 - HB3 PRO 118 OK 21 92 - 22 - ~2694=2, ~2705=2...(13) Peak 3958 from aliabs.peaks (2.41, 2.41, 30.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 118 + HB3 PRO 118 OK 100 100 - 100 Peak 3959 from aliabs.peaks (2.11, 2.41, 30.04 ppm; 5.04 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 118 + HB3 PRO 118 OK 100 100 - 100 - 2.3=100 HG2 PRO 33 + HB3 PRO 118 OK 86 92 - 93 - 3975/2.3=14, 472/3.0=11...(45) HB3 LYS 36 + HB3 PRO 118 OK 67 96 - 70 - 673/3.0=10, 3975/2.3=8...(23) HB3 GLN 25 - HB3 PRO 118 OK 41 94 - 44 - 3943/2.3=4, 3927/3.0=4...(23) HB VAL 73 - HB3 PRO 118 OK 15 72 - 21 - ~8566=6, ~8574=4...(7) HG2 GLU 122 - HB3 PRO 118 OK 15 68 - 22 - 7465/4.3=8, 3943/2.3=2...(10) HB3 GLU 142 - HB3 PRO 118 lone 7 81 - 8 - Peak 3964 from aliabs.peaks (4.30, 2.11, 28.88 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 3.8=100 HA ARG 140 + HG2 PRO 118 OK 68 100 - 69 - 3956/2.3=12, 3972/1.8=12...(22) HA ARG 89 - HG2 PRO 118 OK 35 96 - 36 - 3972/1.8=6, 3956/2.3=6...(13) HA SER 100 - HG2 PRO 118 OK 33 96 - 34 - 3972/1.8=6, 3956/2.3=5...(12) Peak 3965 from aliabs.peaks (1.93, 2.11, 28.88 ppm; 3.96 A): 4 out of 11 assignments used, quality = 1.00: * HB2 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 ARG 140 + HG2 PRO 118 OK 65 100 - 65 - 3951=8, 3.0/3964=6...(36) HB ILE 136 + HG2 PRO 118 OK 62 98 - 63 - ~9667=9, ~9667=7...(31) HB3 LEU 132 + HG2 PRO 118 OK 53 92 - 58 - 3965=6, 3973/1.8=6...(35) HB3 PRO 52 - HG2 PRO 118 OK 44 94 - 46 - ~10640=4, ~10456=4...(25) HB2 ARG 89 - HG2 PRO 118 OK 39 100 - 39 - 2859/3.8=5, 3.0/3964=3...(22) HG3 PRO 12 - HG2 PRO 118 OK 37 94 - 39 - ~8001=5, 1.8/3965=4...(21) HG2 PRO 52 - HG2 PRO 118 OK 35 92 - 39 - ~10640=4, ~10453=3...(23) QE MET 68 - HG2 PRO 118 OK 18 62 - 30 - 4.6/3969=3, ~1984=3...(16) HG13 ILE 83 - HG2 PRO 118 OK 14 100 - 13 - ~10031=3, 3965=1...(4) HB2 LYS 86 - HG2 PRO 118 OK 12 92 - 13 - 3965=1, 3973/1.8=1 Peak 3966 from aliabs.peaks (2.41, 2.11, 28.88 ppm; 4.62 A): 4 out of 10 assignments used, quality = 1.00: * HB3 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 GLN 133 + HG2 PRO 118 OK 85 98 - 87 - 2.9/3968=12, 2.9/3968=12...(46) HG2 GLN 133 + HG2 PRO 118 OK 84 96 - 87 - 2.9/3968=12, 2.9/3968=12...(46) QE MET 46 + HG2 PRO 118 OK 51 94 - 55 - 10489=17, 3942/3.8=4...(21) HG2 MET 46 - HG2 PRO 118 OK 36 62 - 58 - 3.3/10489=14, ~1080=6...(27) HG3 GLN 47 - HG2 PRO 118 OK 33 85 - 39 - 3974/1.8=3, ~10981=3...(17) HG2 GLN 47 - HG2 PRO 118 OK 33 85 - 39 - 3974/1.8=3, ~10981=3...(17) HG3 GLN 25 - HG2 PRO 118 OK 27 68 - 39 - ~11031=5, 1.8/221=3...(24) HB ILE 91 - HG2 PRO 118 OK 12 89 - 14 - 1086/10489=2, ~8990=1, ~8990=1 HG3 MET 59 - HG2 PRO 118 poor 9 68 - 13 - ~10402=2, ~10564=2 Peak 3967 from aliabs.peaks (2.11, 2.11, 28.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 118 + HG2 PRO 118 OK 100 100 - 100 Peak 3968 from aliabs.peaks (2.14, 2.11, 28.88 ppm; 3.21 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 1.8=100 HB3 GLN 133 + HG2 PRO 118 OK 79 100 - 79 - 3968=12, 1.8/3968=10...(60) HB2 GLN 133 + HG2 PRO 118 OK 79 100 - 79 - 3968=12, 1.8/3968=10...(60) HB VAL 53 - HG2 PRO 118 OK 26 62 - 41 - ~8245=4, 2.1/1398=4...(22) HG2 GLU 81 - HG2 PRO 118 OK 20 92 - 22 - 3968=3, ~2466=2, ~2466=2...(12) HG LEU 29 - HG2 PRO 118 OK 19 77 - 24 - ~10851=4, 9769/2.3=3...(12) HB2 GLU 75 - HG2 PRO 118 lone 5 62 - 7 - ~2216=2, 2208/2.3=1 Peak 3969 from aliabs.peaks (3.85, 2.11, 28.88 ppm; 5.01 A): 4 out of 7 assignments used, quality = 1.00: * HD2 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HA LYS 36 + HG2 PRO 118 OK 67 98 - 68 - 3977/1.8=7, 3937/2.3=7...(25) HA GLN 133 + HG2 PRO 118 OK 65 72 - 89 - 3.0/3968=13, 3.0/3968=12...(37) HA MET 68 + HG2 PRO 118 OK 56 98 - 57 - ~6663=8, 3977/1.8=7...(23) HA LEU 72 - HG2 PRO 118 OK 14 81 - 17 - ~8533=4, ~2117=2...(8) HA ALA 104 - HG2 PRO 118 lone 9 89 - 10 - 3977/1.8=1, 3937/2.3=1, ~3405=1 HB2 SER 127 - HG2 PRO 118 lone 8 81 - 10 - ~4326=1, ~4316=1, 4.7/9500=1 Peak 3970 from aliabs.peaks (4.09, 2.11, 28.88 ppm; 4.29 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 118 + HG2 PRO 118 OK 100 100 - 100 - 2.3=100 HD3 PRO 33 + HG2 PRO 118 OK 84 98 - 86 - 3978/1.8=10, 1.8/3970=9...(41) HA VAL 53 + HG2 PRO 118 OK 59 89 - 67 - 3978/1.8=7, ~8245=6...(32) HA LEU 132 - HG2 PRO 118 OK 36 77 - 47 - 4.9/3969=6, 2.9/3965=5...(19) HA PRO 52 - HG2 PRO 118 OK 21 68 - 31 - 10456/2.3=4, ~10642=4...(14) HA LYS 34 - HG2 PRO 118 OK 18 62 - 29 - 10581/1.8=7, 3.0/6160=4...(10) HA GLU 90 - HG2 PRO 118 poor 8 77 - 10 - 4.9/3964=2, ~7032=1 Peak 3972 from aliabs.peaks (4.30, 2.14, 28.88 ppm; 5.07 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 3.8=100 HA ARG 140 + HG3 PRO 118 OK 65 100 - 65 - 3956/2.3=12, 3964/1.8=11...(20) HA ARG 89 - HG3 PRO 118 OK 33 96 - 34 - 3964/1.8=6, 3956/2.3=5...(12) HA SER 100 - HG3 PRO 118 OK 32 96 - 33 - 3964/1.8=6, 3956/2.3=4...(12) Peak 3973 from aliabs.peaks (1.93, 2.14, 28.88 ppm; 4.32 A): 5 out of 11 assignments used, quality = 1.00: * HB2 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HB2 ARG 140 + HG3 PRO 118 OK 71 100 - 72 - 3951/1.8=8, 3.0/3972=7...(36) HB ILE 136 + HG3 PRO 118 OK 68 98 - 70 - ~9667=10, ~9667=9...(31) HB3 LEU 132 + HG3 PRO 118 OK 59 92 - 64 - 3.8/7685=7, 3965/1.8=6...(34) HB3 PRO 52 + HG3 PRO 118 OK 49 94 - 52 - ~10640=5, ~10456=4...(29) HB2 ARG 89 - HG3 PRO 118 OK 43 100 - 43 - 2859/3.8=6, 3.0/3972=4...(25) HG2 PRO 52 - HG3 PRO 118 OK 41 92 - 45 - ~10640=5, ~10453=4...(25) HG3 PRO 12 - HG3 PRO 118 OK 38 94 - 40 - ~8001=6, ~10666=4...(21) QE MET 68 - HG3 PRO 118 OK 21 62 - 34 - 4.6/3977=3, ~1984=3...(18) HG13 ILE 83 - HG3 PRO 118 OK 15 100 - 15 - ~10031=3, ~10010=1, 3965/1.8=1 HB2 LYS 86 - HG3 PRO 118 OK 13 92 - 14 - 3965/1.8=1, 3957/2.3=1, ~2694=1 Peak 3974 from aliabs.peaks (2.41, 2.14, 28.88 ppm; 4.93 A): 4 out of 10 assignments used, quality = 1.00: * HB3 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HG3 GLN 133 + HG3 PRO 118 OK 88 98 - 90 - 4.0/3977=11, 3966/1.8=10...(45) HG2 GLN 133 + HG3 PRO 118 OK 86 96 - 90 - 4.0/3977=11, 3966/1.8=10...(45) QE MET 46 + HG3 PRO 118 OK 51 94 - 54 - 10489/1.8=17, 3942/3.8=5...(19) HG2 MET 46 - HG3 PRO 118 OK 37 62 - 59 - ~10489=11, ~1080=6...(26) HG3 GLN 47 - HG3 PRO 118 OK 34 85 - 40 - 3966/1.8=4, ~10981=3...(18) HG2 GLN 47 - HG3 PRO 118 OK 34 85 - 40 - 3966/1.8=4, ~10981=3...(18) HG3 GLN 25 - HG3 PRO 118 OK 29 68 - 43 - ~11031=6, 2.9/3975=4...(24) HB ILE 91 - HG3 PRO 118 OK 12 89 - 13 - ~8990=2, ~8990=1, 3966/1.8=1 HG3 MET 59 - HG3 PRO 118 OK 10 68 - 15 - ~10402=3, ~10564=2, ~1635=1 Peak 3975 from aliabs.peaks (2.11, 2.14, 28.88 ppm; 3.17 A): 2 out of 7 assignments used, quality = 1.00: * HG2 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 1.8=100 HG2 PRO 33 + HG3 PRO 118 OK 62 92 - 68 - 472/2.3=7, 3951/2.3=6...(41) HB3 LYS 36 - HG3 PRO 118 OK 35 96 - 37 - 673/2.3=5, 3951/2.3=3...(20) HB3 GLN 25 - HG3 PRO 118 OK 18 94 - 19 - 3951/2.3=2, 3927/2.3=2...(7) HG2 GLU 122 - HG3 PRO 118 lone 5 68 - 7 - HB VAL 73 - HG3 PRO 118 lone 4 72 - 5 - HB3 GLU 142 - HG3 PRO 118 lone 3 81 - 3 - Peak 3976 from aliabs.peaks (2.14, 2.14, 28.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 118 + HG3 PRO 118 OK 100 100 - 100 Peak 3977 from aliabs.peaks (3.85, 2.14, 28.88 ppm; 5.11 A): 4 out of 7 assignments used, quality = 1.00: * HD2 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HA GLN 133 + HG3 PRO 118 OK 66 72 - 92 - 4.9/9649=14, ~3968=10...(42) HA LYS 36 + HG3 PRO 118 OK 58 98 - 60 - 3969/1.8=9, 3937/2.3=7...(18) HA MET 68 + HG3 PRO 118 OK 57 98 - 58 - ~6663=8, 3969/1.8=7...(23) HA LEU 72 - HG3 PRO 118 OK 14 81 - 17 - 2.9/8533=6, ~2117=2...(6) HA ALA 104 - HG3 PRO 118 OK 12 89 - 13 - 3937/2.3=1, 11634/9649=1...(4) HB2 SER 127 - HG3 PRO 118 lone 8 81 - 10 - ~4326=1, ~4316=1, 3969/1.8=1 Peak 3978 from aliabs.peaks (4.09, 2.14, 28.88 ppm; 4.34 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 118 + HG3 PRO 118 OK 100 100 - 100 - 2.3=100 HD3 PRO 33 + HG3 PRO 118 OK 86 98 - 88 - 2.3/3975=13, 3970/1.8=10...(43) HA VAL 53 + HG3 PRO 118 OK 58 89 - 65 - 3970/1.8=7, ~8245=6...(31) HA LEU 132 - HG3 PRO 118 OK 40 77 - 52 - 3.6/7685=8, 4.9/3977=7...(21) HA PRO 52 - HG3 PRO 118 OK 21 68 - 31 - 10456/2.3=4, ~10642=4...(15) HA LYS 34 - HG3 PRO 118 OK 18 62 - 29 - 10581=8, ~6161=3...(12) HA GLU 90 - HG3 PRO 118 poor 9 77 - 11 - 4.9/3972=2, ~7032=1 Peak 3980 from aliabs.peaks (7.85, 3.10, 61.73 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 119 + HA TYR 119 OK 100 100 - 100 - 2.8=100 Peak 3981 from aliabs.peaks (3.10, 3.10, 61.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 119 + HA TYR 119 OK 100 100 - 100 Peak 3982 from aliabs.peaks (2.94, 3.10, 61.73 ppm; 4.16 A): 1 out of 12 assignments used, quality = 1.00: * HB2 TYR 119 + HA TYR 119 OK 100 100 - 100 - 3.0=100 HB3 ASN 130 - HA TYR 119 OK 26 100 - 26 - ~10287=12, 3.4/9429=5...(5) HB2 PHE 106 - HA TYR 119 OK 13 62 - 20 - 2.5/9428=9, ~9427=6...(6) HE3 LYS 85 - HA TYR 119 lone 6 94 - 7 - 3.5/3988=2, 3999/3.0=1 HE2 LYS 85 - HA TYR 119 lone 5 77 - 7 - 3.5/3988=2, 3999/3.0=1, ~3999=1 HE3 LYS 93 - HA TYR 119 lone 4 100 - 4 - HB2 TYR 115 - HA TYR 119 lone 3 68 - 4 - 10691/10693=1 HB3 HIS 14 - HA TYR 119 lone 3 62 - 5 - 10956/2.8=3 HE2 LYS 93 - HA TYR 119 lone 3 72 - 3 - HB3 PHE 67 - HA TYR 119 lone 2 62 - 4 - 5.8/9429=2 HE3 LYS 48 - HA TYR 119 lone 2 85 - 2 - HE2 LYS 48 - HA TYR 119 lone 1 68 - 2 - Peak 3983 from aliabs.peaks (2.78, 3.10, 61.73 ppm; 4.21 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TYR 119 + HA TYR 119 OK 100 100 - 100 - 3.0=100 HB3 ASN 84 - HA TYR 119 OK 39 81 - 48 - 3983=10, 3993/3.0=7...(12) HG3 GLN 111 - HA TYR 119 OK 33 100 - 33 - 3983=8, 3993/3.0=5...(12) HB2 ASP 41 - HA TYR 119 OK 17 89 - 19 - 3983=4, 4674/3.7=3...(8) HB2 PHE 38 - HA TYR 119 poor 7 62 - 11 - 7485/3.6=2, 800/4.9=2...(4) Peak 3984 from aliabs.peaks (6.33, 3.10, 61.73 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + HA TYR 119 OK 100 100 - 100 - 3.7=100 Peak 3985 from aliabs.peaks (6.24, 3.10, 61.73 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 119 + HA TYR 119 OK 100 100 - 100 - 5.7=100 HZ PHE 38 - HA TYR 119 OK 19 94 - 20 - 5676/3.7=8, 10306/2.8=6...(4) Peak 3988 from aliabs.peaks (1.53, 3.10, 61.73 ppm; 4.84 A): 6 out of 9 assignments used, quality = 0.95: * HB2 GLU 122 + HA TYR 119 OK 80 100 - 80 - 4064=33, 1.8/3989=24...(15) QB ALA 135 + HA TYR 119 OK 38 89 - 42 - 2.9/3980=10, 4587/2.8=7...(12) HB2 LYS 123 + HA TYR 119 OK 30 62 - 48 - 3.0/11097=18, 3.9/7519=9...(12) HB2 LEU 29 + HA TYR 119 OK 18 98 - 19 - ~11101=6, ~10533=3...(5) HG3 LYS 76 + HA TYR 119 OK 17 99 - 17 - 10092/10704=5...(3) HG3 LYS 85 + HA TYR 119 OK 15 100 - 15 - 3988=2, 3.5/3982=1...(6) HG2 LYS 93 - HA TYR 119 lone 8 81 - 9 - 10092/10704=2 HG3 PRO 57 - HA TYR 119 lone 6 85 - 7 - HD2 LYS 76 - HA TYR 119 lone 5 62 - 7 - Peak 3989 from aliabs.peaks (1.95, 3.10, 61.73 ppm; 4.61 A): 4 out of 9 assignments used, quality = 0.87: * HB3 GLU 122 + HA TYR 119 OK 75 100 - 75 - 1.8/4064=27, 3989=27...(14) HB3 LEU 132 + HA TYR 119 OK 35 68 - 51 - 2.9/11039=16...(10) HG2 PRO 52 + HA TYR 119 OK 11 68 - 17 - 3989=5, 2.3/3989=4...(4) HB3 PRO 52 + HA TYR 119 OK 10 62 - 17 - 3989=5, 2.3/3989=4...(4) HG2 PRO 12 - HA TYR 119 lone 10 99 - 10 - 7463/2.8=2, 3989=1, ~7463=1 HB2 LYS 34 - HA TYR 119 lone 6 81 - 8 - 2.9/3988=2, ~7468=2...(4) HB3 PRO 98 - HA TYR 119 lone 4 100 - 4 - 3989=1 HB2 LYS 61 - HA TYR 119 lone 4 98 - 4 - HB3 MET 11 - HA TYR 119 lone 1 77 - 2 - Peak 3991 from aliabs.peaks (3.10, 2.94, 38.09 ppm; 4.77 A): 1 out of 6 assignments used, quality = 1.00: * HA TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 - HB2 TYR 119 lone 6 92 - 6 - 8150/11106=3, 3998/1.8=2 HA ALA 105 - HB2 TYR 119 lone 6 100 - 6 - 8150/11106=2, 3998/1.8=2 HD2 ARG 145 - HB2 TYR 119 lone 5 81 - 6 - 8150/11106=2, 3998/1.8=1 HD3 ARG 145 - HB2 TYR 119 lone 5 77 - 6 - 8150/11106=2, 3998/1.8=1 HB3 ASN 96 - HB2 TYR 119 lone 5 77 - 6 - 8150/11106=3, 3998/1.8=1 Peak 3992 from aliabs.peaks (2.94, 2.94, 38.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 119 + HB2 TYR 119 OK 100 100 - 100 Peak 3993 from aliabs.peaks (2.78, 2.94, 38.09 ppm; 5.11 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 1.8=100 HB3 ASN 84 + HB2 TYR 119 OK 52 81 - 64 - ~2557=12, 3993=11...(13) HG3 GLN 111 - HB2 TYR 119 OK 44 100 - 44 - 3993=7, 3983/3.0=7...(12) HB2 ASP 41 - HB2 TYR 119 OK 24 89 - 26 - 4674/2.7=5, 3993=4...(10) HB2 PHE 38 - HB2 TYR 119 poor 7 62 - 11 - 7485/4.4=2, ~796=2...(4) Peak 3998 from aliabs.peaks (3.10, 2.78, 38.09 ppm; 5.41 A): 1 out of 6 assignments used, quality = 1.00: * HA TYR 119 + HB3 TYR 119 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 - HB3 TYR 119 lone 7 92 - 8 - 3991/1.8=2, 8150/11105=2 HA ALA 105 - HB3 TYR 119 lone 7 100 - 7 - 3991/1.8=2, ~3416=2 HD2 ARG 145 - HB3 TYR 119 lone 6 81 - 7 - 3991/1.8=2, 8150/11105=2 HB3 ASN 96 - HB3 TYR 119 lone 6 77 - 7 - 8150/11105=2, 3991/1.8=2 HD3 ARG 145 - HB3 TYR 119 lone 5 77 - 7 - 3991/1.8=2, ~3991=1 Peak 3999 from aliabs.peaks (2.94, 2.78, 38.09 ppm; 5.78 A): 1 out of 12 assignments used, quality = 1.00: * HB2 TYR 119 + HB3 TYR 119 OK 100 100 - 100 - 1.8=100 HB3 ASN 130 - HB3 TYR 119 OK 21 100 - 21 - 3982/3.0=7, ~9429=5...(5) HB2 PHE 106 - HB3 TYR 119 OK 15 62 - 25 - ~9428=10, ~9428=8...(5) HE3 LYS 85 - HB3 TYR 119 OK 14 94 - 15 - 7.4/6955=4, 3982/3.0=2...(6) HE2 LYS 85 - HB3 TYR 119 OK 11 77 - 15 - 7.4/6955=4, ~3988=2...(6) HB2 TYR 115 - HB3 TYR 119 lone 6 68 - 9 - 4.5/9347=3, 9366/11093=2 HE3 LYS 93 - HB3 TYR 119 lone 5 100 - 5 - 3982/3.0=1 HB3 HIS 14 - HB3 TYR 119 lone 4 62 - 7 - 10956/3.9=4 HE2 LYS 93 - HB3 TYR 119 lone 4 72 - 5 - HE3 LYS 48 - HB3 TYR 119 lone 3 85 - 3 - HB3 PHE 67 - HB3 TYR 119 lone 2 62 - 3 - HE2 LYS 48 - HB3 TYR 119 lone 2 68 - 3 - Peak 4000 from aliabs.peaks (2.78, 2.78, 38.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 119 + HB3 TYR 119 OK 100 100 - 100 Peak 4004 from aliabs.peaks (9.05, 4.16, 60.17 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 120 + HA GLU 120 OK 100 100 - 100 - 2.9=100 Peak 4005 from aliabs.peaks (4.16, 4.16, 60.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 120 + HA GLU 120 OK 100 100 - 100 Peak 4006 from aliabs.peaks (2.61, 4.16, 60.17 ppm; 4.94 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.0=100 HB3 PRO 129 + HA GLU 120 OK 47 100 - 47 - 4023/3.0=12, ~4377=8...(9) HB2 ASP 16 - HA GLU 120 lone 2 89 - 2 - Peak 4007 from aliabs.peaks (2.72, 4.16, 60.17 ppm; 4.44 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.0=100 HB3 MET 46 + HA GLU 120 OK 48 100 - 48 - 7496/3.6=10, 4017/3.0=8...(16) HB2 ASN 84 - HA GLU 120 OK 30 100 - 30 - ~7480=5, ~11109=4...(12) HB3 TYR 70 - HA GLU 120 OK 26 100 - 26 - 4017/3.0=4, 4.5/8486=3...(12) HB3 ASP 13 - HA GLU 120 lone 2 99 - 2 - Peak 4008 from aliabs.peaks (2.28, 4.16, 60.17 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.8=100 HG3 GLU 120 + HA GLU 120 OK 96 96 - 100 - 3.8=100 HG3 GLU 75 - HA GLU 120 OK 29 96 - 30 - 1.8/8646=6, 3.0/8647=6...(8) HG3 GLU 142 - HA GLU 120 OK 24 89 - 26 - ~4019=5, ~4026=5...(9) HG3 GLU 81 - HA GLU 120 lone 5 85 - 6 - 4026/3.0=1 HG2 GLU 90 - HA GLU 120 lone 3 85 - 4 - 4.6/7030=1 HG2 GLU 131 - HA GLU 120 lone 3 89 - 3 - HB3 MET 113 - HA GLU 120 lone 2 77 - 2 - Peak 4009 from aliabs.peaks (2.29, 4.16, 60.17 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 120 + HA GLU 120 OK 100 100 - 100 - 3.8=100 HG2 GLU 120 + HA GLU 120 OK 96 96 - 100 - 3.8=100 HG3 GLU 75 - HA GLU 120 OK 30 100 - 30 - 4039/3.8=5, 1.8/8646=5...(8) HG3 GLU 142 - HA GLU 120 OK 13 62 - 21 - ~7487=4, ~4019=4...(9) HG3 GLU 81 - HA GLU 120 lone 7 99 - 7 - 7497/3.6=1 HG2 GLU 131 - HA GLU 120 lone 1 62 - 2 - Peak 4012 from aliabs.peaks (1.51, 4.16, 60.17 ppm; 5.51 A): 3 out of 5 assignments used, quality = 0.73: * HB2 LYS 123 + HA GLU 120 OK 59 100 - 59 - 1.8/4013=24, 3.9/7520=12...(10) HB2 GLU 122 + HA GLU 120 OK 26 62 - 42 - 4.0/7507=18, 4.7/7520=11...(5) HG3 PRO 57 + HA GLU 120 OK 10 98 - 10 - 9449/3.6=3, 4120/4013=2 HG3 LYS 85 - HA GLU 120 poor 10 62 - 15 - 8864/3.0=4, 9449/3.6=3 HG2 LYS 34 - HA GLU 120 lone 9 94 - 10 - 9449/3.6=3, 9794/5556=2...(4) Peak 4013 from aliabs.peaks (1.45, 4.16, 60.17 ppm; 4.33 A): 0 out of 7 assignments used, low quality = 0.45: ! HB3 LYS 123 - HA GLU 120 OK 31 100 - 31 - 1.8/4012=12, 3.9/7520=8...(4) HG LEU 126 - HA GLU 120 OK 11 77 - 14 - ~9438=6, 5.2/7573=1, 2.1/4299=1 HG12 ILE 91 - HA GLU 120 OK 11 77 - 14 - 2.1/8991=4, 1.8/8989=2...(4) HB3 LYS 114 - HA GLU 120 lone 4 100 - 4 - HG2 LYS 48 - HA GLU 120 lone 3 89 - 3 - HG2 LYS 24 - HA GLU 120 lone 2 94 - 2 - HG3 LYS 86 - HA GLU 120 lone 2 72 - 2 - Peak 4015 from aliabs.peaks (4.16, 2.61, 30.57 ppm; 6.45 A): 3 out of 9 assignments used, quality = 1.00: * HA GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.0=100 HA PHE 38 + HB2 GLU 120 OK 72 98 - 74 - 3.0/4017=10, ~810=9...(21) HA CYS 121 + HB2 GLU 120 OK 70 81 - 86 - 2.9/7495=50, ~7496=24...(10) HB2 SER 44 - HB2 GLU 120 OK 41 99 - 41 - 11500/1.8=6, ~11500=5...(17) HB3 SER 44 - HB2 GLU 120 OK 40 98 - 41 - 11500/1.8=6, ~11500=5...(17) HA LYS 76 - HB2 GLU 120 OK 35 92 - 38 - ~4013=7, ~6810=6...(15) HA LEU 126 - HB2 GLU 120 OK 34 62 - 54 - ~10340=14, ~11582=12...(15) HA3 GLY 125 - HB2 GLU 120 OK 17 85 - 20 - 7494/4.6=4, ~4260=3...(8) HA LEU 64 - HB2 GLU 120 poor 9 62 - 14 - 7494/4.6=2, 4022/1.8=2...(6) Peak 4016 from aliabs.peaks (2.61, 2.61, 30.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 120 + HB2 GLU 120 OK 100 100 - 100 Peak 4017 from aliabs.peaks (2.72, 2.61, 30.57 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 1.8=100 HB3 MET 46 - HB2 GLU 120 OK 38 100 - 38 - 7496/4.6=6, 4007/3.0=6...(13) HB3 TYR 70 - HB2 GLU 120 OK 20 100 - 20 - 4007/3.0=3, ~2065=3...(11) HB2 ASN 84 - HB2 GLU 120 OK 18 100 - 18 - ~2564=4, 4007/3.0=4...(9) HB3 ASP 13 - HB2 GLU 120 lone 1 99 - 1 - Peak 4018 from aliabs.peaks (2.28, 2.61, 30.57 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * HG2 GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.0=100 HG3 GLU 120 + HB2 GLU 120 OK 96 96 - 100 - 3.0=100 HG3 GLU 75 + HB2 GLU 120 OK 78 96 - 82 - ~8646=10, ~2214=10...(23) HG3 GLU 142 + HB2 GLU 120 OK 64 89 - 72 - ~4026=15, ~4842=11...(20) HG3 GLU 81 - HB2 GLU 120 OK 21 85 - 24 - ~2460=4, ~2446=3...(9) HG2 GLU 131 - HB2 GLU 120 OK 11 89 - 12 - HB3 MET 113 - HB2 GLU 120 lone 6 77 - 8 - HG2 GLU 90 - HB2 GLU 120 lone 5 85 - 6 - Peak 4019 from aliabs.peaks (2.29, 2.61, 30.57 ppm; 6.59 A): 3 out of 6 assignments used, quality = 1.00: * HG3 GLU 120 + HB2 GLU 120 OK 100 100 - 100 - 3.0=100 HG2 GLU 120 + HB2 GLU 120 OK 96 96 - 100 - 3.0=100 HG3 GLU 75 + HB2 GLU 120 OK 83 100 - 83 - 4025/1.8=10, ~8646=10...(23) HG3 GLU 142 - HB2 GLU 120 OK 43 62 - 69 - ~4026=14, ~4842=10...(20) HG3 GLU 81 - HB2 GLU 120 OK 25 99 - 26 - ~2460=4, 4026/1.8=4...(11) HG2 GLU 131 - HB2 GLU 120 lone 5 62 - 9 - Peak 4022 from aliabs.peaks (4.16, 2.72, 30.57 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: * HA GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.0=100 HA PHE 38 + HB3 GLU 120 OK 78 98 - 79 - 3.0/810=10, 3.1/5557=10...(24) HA CYS 121 + HB3 GLU 120 OK 70 81 - 86 - ~7495=46, ~7498=26...(10) HB2 SER 44 + HB3 GLU 120 OK 47 99 - 47 - 11500=8, 1.8/11500=7...(18) HB3 SER 44 + HB3 GLU 120 OK 46 98 - 47 - 11500=8, 1.8/11500=7...(18) HA LYS 76 - HB3 GLU 120 OK 37 92 - 41 - ~4013=7, ~6810=6...(15) HA LEU 126 - HB3 GLU 120 OK 36 62 - 57 - ~10340=15, ~11582=13...(15) HA3 GLY 125 - HB3 GLU 120 OK 18 85 - 21 - 7494/4.6=4, ~4260=4...(8) HA LEU 64 - HB3 GLU 120 poor 10 62 - 16 - 7494/4.6=2, 4015/1.8=1...(7) Peak 4023 from aliabs.peaks (2.61, 2.72, 30.57 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 1.8=100 HB3 PRO 129 - HB3 GLU 120 OK 40 100 - 40 - ~4377=7, 4006/3.0=7...(9) HB2 ASP 16 - HB3 GLU 120 lone 2 89 - 2 - Peak 4024 from aliabs.peaks (2.72, 2.72, 30.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 120 + HB3 GLU 120 OK 100 100 - 100 Peak 4025 from aliabs.peaks (2.28, 2.72, 30.57 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * HG2 GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.0=100 HG3 GLU 120 + HB3 GLU 120 OK 96 96 - 100 - 3.0=100 HG3 GLU 75 + HB3 GLU 120 OK 78 96 - 82 - ~8646=10, ~2214=10...(24) HG3 GLU 142 + HB3 GLU 120 OK 63 89 - 71 - ~4019=15, ~4842=11...(20) HG3 GLU 81 - HB3 GLU 120 OK 25 85 - 29 - 3.7/2439=5, ~2460=4...(10) HG2 GLU 131 - HB3 GLU 120 lone 9 89 - 10 - 4018/1.8=1 HB3 MET 113 - HB3 GLU 120 lone 5 77 - 7 - HG2 GLU 90 - HB3 GLU 120 lone 4 85 - 5 - Peak 4026 from aliabs.peaks (2.29, 2.72, 30.57 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HG3 GLU 120 + HB3 GLU 120 OK 100 100 - 100 - 3.0=100 HG2 GLU 120 + HB3 GLU 120 OK 96 96 - 100 - 3.0=100 HG3 GLU 75 + HB3 GLU 120 OK 83 100 - 84 - 4018/1.8=11, ~8646=10...(24) HG3 GLU 142 - HB3 GLU 120 OK 44 62 - 70 - ~4019=15, ~4842=11...(20) HG3 GLU 81 - HB3 GLU 120 OK 31 99 - 31 - 3.7/2439=5, ~2460=4...(13) HG2 GLU 131 - HB3 GLU 120 lone 6 62 - 9 - 4018/1.8=1 Peak 4029 from aliabs.peaks (4.16, 2.28, 36.88 ppm; 3.46 A): 3 out of 36 assignments used, quality = 0.94: * HA GLU 120 + HG2 GLU 120 OK 76 100 - 76 - 3.8=73, 3.6/7497=8 HA GLU 120 + HG3 GLU 120 OK 66 87 - 76 - 3.8=73, 3.6/7498=9 HA LYS 76 + HG3 GLU 75 OK 27 48 - 57 - 8646/1.8=12, ~2230=9...(12) HA CYS 121 - HG2 GLU 120 OK 25 81 - 31 - ~7495=9, 2.9/7497=8...(7) HA PHE 38 - HG2 GLU 120 OK 21 98 - 22 - 789/3.0=4, 4036/1.8=3...(11) HA CYS 121 - HG3 GLU 120 OK 19 64 - 30 - 2.9/7498=10, ~7495=9...(6) HA PHE 38 - HG3 GLU 120 OK 18 82 - 22 - 789/3.0=4, 4036=3...(11) HA LEU 126 - HG2 GLU 120 OK 16 62 - 26 - 3.0/10340=7, 4.0/9494=5...(9) HB2 SER 44 - HG2 GLU 120 OK 12 99 - 12 - 4036/1.8=2, ~4036=1...(6) HB3 SER 44 - HG2 GLU 120 OK 12 98 - 12 - 4036/1.8=2, ~4036=1...(6) HA LYS 76 - HG2 GLU 120 OK 12 92 - 13 - 3.0/6810=2, 2.9/11604=2 HA GLU 120 - HG3 GLU 75 OK 11 58 - 20 - 8646/1.8=5, 8647/3.0=4...(7) HB2 SER 44 - HG3 GLU 120 poor 10 84 - 11 - 4036=2, 1.8/4036=2...(5) HA LEU 126 - HG3 GLU 120 poor 10 48 - 20 - ~10340=5, 4.0/9494=3...(8) HB3 SER 44 - HG3 GLU 120 poor 9 82 - 11 - 4036=2, 1.8/4036=2...(5) HA LYS 76 - HG3 GLU 120 poor 9 75 - 12 - ~6810=2, 4036=2...(4) HA LYS 76 - HG2 GLU 131 poor 9 54 - 16 - 4462/1.8=3, 4448/2.9=2...(7) HA3 GLY 125 - HG2 GLU 120 lone 8 85 - 9 - 3.6/10340=6 HA LEU 126 - HG2 GLU 131 poor 4 33 - 13 - 3.9/9559=3, 4.3/10406=2...(6) HB2 SER 44 - HG3 GLU 75 lone 4 55 - 7 - HB3 SER 44 - HG3 GLU 75 lone 3 54 - 6 - HA LEU 126 - HG3 GLU 75 poor 3 29 - 12 - 4.0/9494=3, 3.9/9989=2...(5) HA LEU 64 - HG3 GLU 75 lone 3 29 - 9 - 8647/3.0=2, ~10634=2 HA3 GLY 125 - HG3 GLU 75 lone 2 43 - 5 - 3.6/10340=1, ~7562=1 HA3 GLY 125 - HG3 GLU 120 lone 2 68 - 3 - HA PHE 38 - HG3 GLU 75 lone 2 54 - 4 - 8509/8512=1 HA CYS 121 - HG3 GLU 75 lone 2 40 - 5 - 8628/5.0=2, 4.9/4009=2 HA LEU 64 - HG2 GLU 120 lone 2 62 - 3 - HA LEU 64 - HG3 GLU 120 lone 1 48 - 3 - HA LEU 64 - HG2 GLU 131 lone 1 33 - 4 - ~11644=1 HA GLU 120 - HG2 GLU 131 lone 1 64 - 2 - HA3 GLY 125 - HG2 GLU 131 lone 1 48 - 2 - HB2 SER 44 - HG2 GLU 131 lone 1 62 - 1 - HB3 SER 44 - HG2 GLU 131 lone 1 60 - 1 - HA PHE 38 - HG2 GLU 131 lone 1 60 - 1 - HA CYS 121 - HG2 GLU 131 lone 0 45 - 1 - Peak 4030 from aliabs.peaks (2.61, 2.28, 36.88 ppm; 5.25 A): 5 out of 12 assignments used, quality = 1.00: * HB2 GLU 120 + HG2 GLU 120 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 + HG3 GLU 120 OK 87 87 - 100 - 3.0=100 HB3 PRO 129 + HG2 GLU 120 OK 53 100 - 53 - 4023/3.0=12, 4006/3.8=10...(8) HB3 PRO 129 + HG3 GLU 120 OK 46 87 - 53 - 4023/3.0=12, 4006/3.8=10...(9) HB3 PRO 129 + HG2 GLU 131 OK 46 64 - 72 - ~4463=8, ~4465=7...(23) HB2 GLU 120 - HG3 GLU 75 OK 39 58 - 68 - ~2229=7, ~8646=7...(23) HB2 GLU 120 - HG2 GLU 131 lone 4 64 - 6 - HB2 ASP 16 - HG2 GLU 120 lone 3 89 - 3 - HB2 ASP 16 - HG3 GLU 120 lone 2 72 - 3 - HB3 PRO 129 - HG3 GLU 75 lone 2 57 - 4 - HB2 ASP 16 - HG3 GLU 75 lone 1 45 - 2 - HB2 ASP 16 - HG2 GLU 131 lone 1 51 - 1 - Peak 4031 from aliabs.peaks (2.72, 2.28, 36.88 ppm; 5.39 A): 3 out of 20 assignments used, quality = 1.00: * HB3 GLU 120 + HG2 GLU 120 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HG3 GLU 120 OK 87 87 - 100 - 3.0=100 HB3 MET 46 + HG2 GLU 120 OK 49 100 - 49 - 4017/3.0=10, 4007/3.8=9...(13) HB3 MET 46 - HG3 GLU 120 OK 43 87 - 50 - 4017/3.0=10, 4007/3.8=9...(14) HB3 GLU 120 - HG3 GLU 75 OK 40 58 - 70 - ~2229=8, ~8646=7...(23) HB3 TYR 70 - HG2 GLU 120 OK 31 100 - 31 - 4017/3.0=5, 4007/3.8=5...(10) HB2 ASN 84 - HG2 GLU 120 OK 26 100 - 26 - 4007/3.8=5, 4017/3.0=5...(8) HB3 TYR 70 - HG3 GLU 120 OK 26 85 - 31 - 4017/3.0=5, 4007/3.8=5...(10) HB3 MET 46 - HG3 GLU 75 OK 25 57 - 44 - 1060/1.8=8, ~2213=6...(11) HB2 ASN 84 - HG3 GLU 120 OK 23 87 - 27 - 4007/3.8=5, 4017/3.0=5...(9) HB3 TYR 70 - HG3 GLU 75 poor 7 56 - 12 - ~2060=6, ~2060=3, 8504/9971=1 HB3 ASP 13 - HG2 GLU 131 lone 5 62 - 9 - ~8006=4, ~8006=1, ~9855=1 HB3 GLU 120 - HG2 GLU 131 lone 5 64 - 7 - HB2 ASN 84 - HG2 GLU 131 lone 3 64 - 5 - 8852/9559=2 HB3 ASP 13 - HG2 GLU 120 lone 3 99 - 3 - HB3 ASP 13 - HG3 GLU 120 lone 2 84 - 3 - HB2 ASN 84 - HG3 GLU 75 lone 2 57 - 4 - HB3 TYR 70 - HG2 GLU 131 lone 2 63 - 3 - HB3 ASP 13 - HG3 GLU 75 lone 2 55 - 3 - HB3 MET 46 - HG2 GLU 131 lone 1 64 - 2 - Peak 4032 from aliabs.peaks (2.28, 2.28, 36.88 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 120 + HG2 GLU 120 OK 100 100 - 100 HG3 GLU 120 + HG3 GLU 120 OK 80 80 - 100 HG3 GLU 75 + HG3 GLU 75 OK 52 52 - 100 HG2 GLU 131 + HG2 GLU 131 OK 51 51 - 100 Peak 4033 from aliabs.peaks (2.29, 2.28, 36.88 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HG2 GLU 120 + HG2 GLU 120 OK 96 96 - 100 HG3 GLU 120 + HG3 GLU 120 OK 87 87 - 100 HG3 GLU 75 + HG3 GLU 75 OK 58 58 - 100 HG2 GLU 131 - HG2 GLU 131 OK 33 33 - 100 Reference assignment not found: HG3 GLU 120 - HG2 GLU 120 Peak 4036 from aliabs.peaks (4.16, 2.29, 36.88 ppm; 3.46 A): 3 out of 27 assignments used, quality = 0.95: * HA GLU 120 + HG3 GLU 120 OK 77 100 - 77 - 3.8=73, 3.6/7498=10 HA GLU 120 + HG2 GLU 120 OK 66 87 - 76 - 3.8=73, 3.6/7497=7 HA LYS 76 + HG3 GLU 75 OK 37 62 - 59 - 8646/1.8=12, 3.0/2237=10...(12) HA CYS 121 - HG3 GLU 120 OK 25 81 - 30 - 2.9/7498=11, ~7495=9...(6) HA PHE 38 - HG3 GLU 120 OK 22 98 - 23 - 4036=4, 789/3.0=4...(11) HA CYS 121 - HG2 GLU 120 OK 20 64 - 30 - ~7495=9, ~7498=8...(7) HA PHE 38 - HG2 GLU 120 OK 18 82 - 22 - 789/3.0=4, 4036/1.8=3...(11) HA GLU 120 - HG3 GLU 75 OK 18 74 - 24 - 8646/1.8=5, 4008=4...(8) HA LEU 126 - HG3 GLU 120 OK 14 62 - 22 - ~10340=5, 4.0/9494=4...(8) HA LYS 76 - HG3 GLU 120 OK 12 92 - 13 - ~6810=2, 4036=2...(4) HB2 SER 44 - HG3 GLU 120 OK 12 99 - 12 - 4036=2, 1.8/4036=2...(5) HB3 SER 44 - HG3 GLU 120 OK 12 98 - 12 - 4036=2, 1.8/4036=2...(5) HA LEU 126 - HG2 GLU 120 OK 12 48 - 24 - 3.0/10340=6, 4.0/9494=4...(8) HB2 SER 44 - HG2 GLU 120 OK 10 84 - 12 - 4036/1.8=2, ~4036=1...(6) HB3 SER 44 - HG2 GLU 120 OK 10 82 - 12 - 4036/1.8=2, ~4036=1...(6) HA LYS 76 - HG2 GLU 120 poor 8 75 - 11 - 4036/1.8=2, 2.9/11604=2 HA3 GLY 125 - HG2 GLU 120 lone 6 68 - 9 - 3.6/10340=6 HA LEU 126 - HG3 GLU 75 poor 6 39 - 15 - 4.0/9494=4, 3.0/10340=3...(5) HB2 SER 44 - HG3 GLU 75 lone 5 71 - 7 - HB3 SER 44 - HG3 GLU 75 lone 5 69 - 7 - HA LEU 64 - HG3 GLU 75 poor 4 39 - 11 - 8647/3.0=2, ~10634=2...(4) HA3 GLY 125 - HG3 GLU 75 lone 4 56 - 7 - 3.6/10340=3, ~7562=1 HA PHE 38 - HG3 GLU 75 lone 4 69 - 5 - 8509/8512=1 HA CYS 121 - HG3 GLU 75 lone 4 53 - 7 - 2.9/7497=2, 4.9/4008=2 HA3 GLY 125 - HG3 GLU 120 lone 3 85 - 4 - HA LEU 64 - HG3 GLU 120 lone 2 62 - 3 - HA LEU 64 - HG2 GLU 120 lone 1 48 - 3 - Peak 4037 from aliabs.peaks (2.61, 2.29, 36.88 ppm; 5.25 A): 5 out of 9 assignments used, quality = 1.00: * HB2 GLU 120 + HG3 GLU 120 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 + HG2 GLU 120 OK 87 87 - 100 - 3.0=100 HB3 PRO 129 + HG3 GLU 120 OK 53 100 - 53 - 4023/3.0=12, 4006/3.8=10...(9) HB2 GLU 120 + HG3 GLU 75 OK 52 74 - 71 - ~2229=7, ~8646=7...(23) HB3 PRO 129 + HG2 GLU 120 OK 45 87 - 53 - 4023/3.0=12, 4006/3.8=10...(8) HB2 ASP 16 - HG3 GLU 120 lone 3 89 - 3 - HB3 PRO 129 - HG3 GLU 75 lone 3 74 - 4 - HB2 ASP 16 - HG2 GLU 120 lone 2 72 - 3 - HB2 ASP 16 - HG3 GLU 75 lone 1 59 - 2 - Peak 4038 from aliabs.peaks (2.72, 2.29, 36.88 ppm; 5.39 A): 4 out of 15 assignments used, quality = 1.00: * HB3 GLU 120 + HG3 GLU 120 OK 100 100 - 100 - 3.0=100 HB3 GLU 120 + HG2 GLU 120 OK 87 87 - 100 - 3.0=100 HB3 GLU 120 + HG3 GLU 75 OK 54 74 - 73 - ~2229=8, ~8646=7...(23) HB3 MET 46 + HG3 GLU 120 OK 51 100 - 51 - 4017/3.0=10, 4007/3.8=9...(14) HB3 MET 46 - HG2 GLU 120 OK 43 87 - 49 - 4017/3.0=10, 4007/3.8=9...(13) HB3 MET 46 - HG3 GLU 75 OK 33 74 - 45 - 1060/1.8=8, ~2213=6...(11) HB3 TYR 70 - HG3 GLU 120 OK 31 100 - 31 - 4017/3.0=5, 4007/3.8=5...(10) HB2 ASN 84 - HG3 GLU 120 OK 27 100 - 27 - 4007/3.8=5, 4017/3.0=5...(9) HB3 TYR 70 - HG2 GLU 120 OK 26 85 - 31 - 4017/3.0=5, 4007/3.8=5...(10) HB2 ASN 84 - HG2 GLU 120 OK 23 87 - 26 - 4007/3.8=5, 4017/3.0=5...(8) HB3 TYR 70 - HG3 GLU 75 poor 10 72 - 14 - ~2060=6, ~2060=3, 8504/9971=2 HB2 ASN 84 - HG3 GLU 75 lone 4 74 - 5 - HB3 ASP 13 - HG3 GLU 120 lone 3 99 - 3 - HB3 ASP 13 - HG3 GLU 75 lone 2 71 - 3 - HB3 ASP 13 - HG2 GLU 120 lone 2 84 - 3 - Peak 4039 from aliabs.peaks (2.28, 2.29, 36.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 120 + HG3 GLU 120 OK 96 96 - 100 HG2 GLU 120 + HG2 GLU 120 OK 87 87 - 100 HG3 GLU 75 + HG3 GLU 75 OK 67 67 - 100 Reference assignment not found: HG2 GLU 120 - HG3 GLU 120 Peak 4040 from aliabs.peaks (2.29, 2.29, 36.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 120 + HG3 GLU 120 OK 100 100 - 100 HG2 GLU 120 + HG2 GLU 120 OK 80 80 - 100 HG3 GLU 75 + HG3 GLU 75 OK 74 74 - 100 Peak 4043 from aliabs.peaks (4.17, 4.17, 63.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 121 + HA CYS 121 OK 100 100 - 100 Peak 4044 from aliabs.peaks (2.87, 4.17, 63.51 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 121 + HA CYS 121 OK 100 100 - 100 - 3.0=100 Peak 4045 from aliabs.peaks (2.71, 4.17, 63.51 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HB3 CYS 121 + HA CYS 121 OK 100 100 - 100 - 3.0=100 HB3 MET 46 - HA CYS 121 OK 29 62 - 47 - 7501/2.9=9, 4.0/4042=7...(18) HB2 ASN 84 - HA CYS 121 poor 6 62 - 10 - 7501/2.9=2, 4050/3.0=2 HB2 ASP 137 - HA CYS 121 lone 1 68 - 2 - HB3 ASP 13 - HA CYS 121 lone 1 77 - 1 - Peak 4048 from aliabs.peaks (4.17, 2.87, 26.59 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 121 + HB2 CYS 121 OK 100 100 - 100 - 3.0=100 HA GLU 120 - HB2 CYS 121 OK 34 81 - 42 - 3.6/7500=29, 7507/4.7=8...(5) HA LEU 64 - HB2 CYS 121 lone 10 99 - 10 - 4053/1.8=2, 1810/9874=2...(5) HA TRP 88 - HB2 CYS 121 lone 7 77 - 9 - 7507/4.7=2, 7494/4.1=2...(4) HA PHE 38 - HB2 CYS 121 lone 6 96 - 6 - 4053/1.8=1, 7494/4.1=1 HB2 SER 44 - HB2 CYS 121 lone 2 62 - 3 - 7494/4.1=1 Peak 4049 from aliabs.peaks (2.87, 2.87, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 121 + HB2 CYS 121 OK 100 100 - 100 Peak 4050 from aliabs.peaks (2.71, 2.87, 26.59 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HB3 CYS 121 + HB2 CYS 121 OK 100 100 - 100 - 1.8=100 HB3 MET 46 - HB2 CYS 121 OK 22 62 - 36 - 4045/3.0=7, 7501/4.1=6...(14) HB2 ASN 84 - HB2 CYS 121 poor 7 62 - 10 - 4045/3.0=2, 7501/4.1=2...(7) HB2 ASP 137 - HB2 CYS 121 lone 1 68 - 1 - HB3 ASP 13 - HB2 CYS 121 lone 1 77 - 1 - Peak 4053 from aliabs.peaks (4.17, 2.71, 26.59 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 121 + HB3 CYS 121 OK 100 100 - 100 - 3.0=100 HA GLU 120 - HB3 CYS 121 OK 27 81 - 33 - 3.6/7501=19, 4048/1.8=8...(5) HA LEU 64 - HB3 CYS 121 lone 7 99 - 7 - 4048/1.8=2, 7507/4.7=1 HA TRP 88 - HB3 CYS 121 lone 6 77 - 7 - 7507/4.7=2, 7494/4.1=2 HA PHE 38 - HB3 CYS 121 lone 5 96 - 5 - 4048/1.8=1, 7494/4.1=1 HB2 SER 44 - HB3 CYS 121 lone 2 62 - 3 - 7494/4.1=1 Peak 4054 from aliabs.peaks (2.87, 2.71, 26.59 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 121 + HB3 CYS 121 OK 100 100 - 100 - 1.8=100 Peak 4055 from aliabs.peaks (2.71, 2.71, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 121 + HB3 CYS 121 OK 100 100 - 100 Peak 4058 from aliabs.peaks (4.01, 4.01, 58.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 122 + HA GLU 122 OK 100 100 - 100 HA LEU 69 + HA LEU 69 OK 88 88 - 100 Peak 4059 from aliabs.peaks (1.53, 4.01, 58.31 ppm; 3.32 A): 1 out of 18 assignments used, quality = 1.00: * HB2 GLU 122 + HA GLU 122 OK 100 100 - 100 - 3.0=100 HG3 LYS 76 - HA LEU 69 OK 30 88 - 34 - 1.8/2004=5, 3.0/2003=4...(14) HB2 LYS 123 - HA GLU 122 OK 28 62 - 45 - 7530/3.6=5, ~11606=4...(20) HB2 GLU 122 - HA LEU 69 OK 22 91 - 25 - 4066=5, 1.8/4074=4...(9) HG3 LYS 76 - HA GLU 122 OK 14 99 - 14 - 4075/3.0=2, 7530/3.6=2...(6) QB ALA 135 - HA GLU 122 OK 13 89 - 14 - 2.1/4585=2, 10450/3.6=2...(6) HG3 PRO 57 - HA GLU 122 OK 12 85 - 14 - 4075/3.0=2, 4082/3.9=1...(5) HG3 LYS 85 - HA GLU 122 OK 12 100 - 12 - ~9460=2, 7513/3.0=1...(4) HD2 LYS 76 - HA LEU 69 OK 10 51 - 20 - 3.0/2004=4, 3.5/2003=3...(9) HG3 LYS 85 - HA LEU 69 lone 8 91 - 9 - 3.0/2003=1, 2618/3.7=1 HB2 LEU 29 - HA GLU 122 lone 7 98 - 7 - QB ALA 135 - HA LEU 69 lone 7 76 - 9 - 2.1/4585=1, 9644/3.0=1 HG2 LYS 93 - HA GLU 122 lone 6 81 - 8 - HD2 LYS 76 - HA GLU 122 lone 5 62 - 9 - 3.0/2004=1 HG3 PRO 57 - HA LEU 69 lone 5 72 - 7 - 10591/4.9=4 HG2 LYS 93 - HA LEU 69 lone 5 69 - 7 - 5.1/9038=1 HB2 LEU 29 - HA LEU 69 lone 3 87 - 4 - 3.2/11533=1 HB2 LYS 123 - HA LEU 69 lone 2 51 - 3 - 3.9/4063=2 Peak 4060 from aliabs.peaks (1.95, 4.01, 58.31 ppm; 3.17 A): 1 out of 18 assignments used, quality = 1.00: * HB3 GLU 122 + HA GLU 122 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 - HA GLU 122 OK 30 68 - 45 - 1.8/4062=6, 4068/3.0=5...(22) HB3 PRO 52 - HA GLU 122 OK 27 62 - 44 - 4068/3.0=5, 2.3/4062=5...(16) HB3 GLU 122 - HA LEU 69 OK 20 91 - 22 - 4074=5, 1.8/4066=3...(9) HB3 LEU 132 - HA GLU 122 OK 17 68 - 25 - ~11037=6, ~11034=3...(10) HB2 LYS 61 - HA GLU 122 OK 16 98 - 17 - 4068/3.0=2, 1.8/4061=2...(10) HB2 LYS 34 - HA GLU 122 OK 10 81 - 12 - 4068/3.0=2, 2.9/4059=1 HB3 LEU 132 - HA LEU 69 poor 10 56 - 18 - 3.2/10419=2, 3.0/2001=2...(7) HB3 PRO 98 - HA GLU 122 lone 8 100 - 8 - 4068/3.0=1 HG2 PRO 12 - HA GLU 122 lone 4 99 - 4 - HB3 MET 11 - HA GLU 122 lone 3 77 - 4 - HG2 PRO 12 - HA LEU 69 lone 3 88 - 3 - 92/4.9=2 HB3 MET 11 - HA LEU 69 lone 2 65 - 3 - HB2 LYS 34 - HA LEU 69 lone 1 69 - 2 - HG2 PRO 52 - HA LEU 69 lone 1 56 - 2 - HB2 LYS 61 - HA LEU 69 lone 1 87 - 1 - HB3 PRO 52 - HA LEU 69 lone 1 51 - 2 - HB3 PRO 98 - HA LEU 69 lone 1 91 - 1 - Peak 4061 from aliabs.peaks (2.09, 4.01, 58.31 ppm; 3.49 A): 2 out of 24 assignments used, quality = 0.92: * HG2 GLU 122 + HA GLU 122 OK 89 100 - 89 - 3.9=73, 1.8/4062=14...(11) HD2 ARG 49 + HA GLU 122 OK 25 81 - 31 - ~4064=4, ~4072=4...(12) HG2 PRO 33 - HA GLU 122 OK 16 96 - 16 - 10994/3.0=3, 4077/3.0=2...(8) HB3 LYS 61 - HA GLU 122 OK 16 89 - 18 - 4077/3.0=4, 4069/3.0=3...(7) HG3 PRO 33 - HA GLU 122 OK 15 98 - 15 - 10997/3.0=4, 4077/3.0=2...(6) HG2 GLU 122 - HA LEU 69 OK 13 91 - 15 - 3.0/4074=3, 3.0/4066=3...(5) HB3 LYS 36 - HA LEU 69 poor 10 79 - 12 - 673/4.9=2, 9892/4.1=2 HD2 ARG 49 - HA LEU 69 poor 9 69 - 14 - 1287/3.0=2, ~1296=1...(6) HB2 PRO 129 - HA GLU 122 lone 9 96 - 10 - 4069/3.0=2, ~10267=2...(5) HB2 GLU 131 - HA GLU 122 lone 9 94 - 9 - ~9556=3, 4077/3.0=2, 4069/3.0=2 HB2 LEU 26 - HA GLU 122 poor 8 77 - 11 - 4069/3.0=2, 4077/3.0=2...(4) HG2 PRO 33 - HA LEU 69 lone 5 84 - 6 - ~1982=2, ~1982=1 HG3 PRO 33 - HA LEU 69 lone 5 87 - 6 - ~1982=2, ~1982=1 HB3 LYS 36 - HA GLU 122 lone 4 92 - 5 - HG2 PRO 118 - HA LEU 69 lone 4 56 - 8 - ~6680=2, ~2010=1, 3969/4.9=1 HG2 PRO 118 - HA GLU 122 lone 3 68 - 5 - 4069/3.0=1 HB2 GLU 131 - HA LEU 69 lone 3 82 - 4 - HB3 GLN 25 - HA LEU 69 lone 3 82 - 3 - 9892/4.1=1 HB2 LEU 26 - HA LEU 69 lone 2 65 - 4 - HB3 GLN 25 - HA GLU 122 lone 2 94 - 2 - HB2 PRO 129 - HA LEU 69 lone 2 84 - 2 - HB3 LYS 61 - HA LEU 69 lone 1 76 - 2 - HB3 GLU 142 - HA GLU 122 lone 1 100 - 1 - HB3 GLU 142 - HA LEU 69 lone 1 89 - 1 - Peak 4062 from aliabs.peaks (2.01, 4.01, 58.31 ppm; 3.08 A): 9 out of 18 assignments used, quality = 0.93: * HG3 GLU 122 + HA GLU 122 OK 76 100 - 76 - 3.9=50, 4078/3.0=12...(11) HG3 PRO 52 + HA GLU 122 OK 28 72 - 39 - 1.8/4060=6, 4078/3.0=5...(16) QE MET 113 + HA LEU 69 OK 15 76 - 20 - 9333/3.9=5, 3723=3...(6) QE MET 113 + HA GLU 122 OK 13 89 - 14 - 3723=2, 4070/3.0=1...(6) HB3 GLU 37 + HA GLU 122 OK 12 81 - 15 - 4070/3.0=2, 4078/3.0=2...(5) QE MET 59 + HA LEU 69 OK 12 87 - 13 - 10401=4, 1635/3.0=2...(4) HB2 GLU 37 + HA GLU 122 OK 11 72 - 15 - 4070/3.0=2, 4078/3.0=2...(6) HG3 GLU 122 + HA LEU 69 OK 10 91 - 11 - 3.0/4074=2, 3.0/4066=2...(5) HB VAL 63 + HA GLU 122 OK 10 89 - 11 - 2.1/11533=2, 4070/3.0=1...(5) HB2 GLU 90 - HA GLU 122 lone 9 99 - 9 - 4078/3.0=2, 4070/3.0=1...(4) HB VAL 63 - HA LEU 69 lone 7 76 - 10 - 8356/4.1=2, 2.1/11533=2 HB3 GLU 90 - HA GLU 122 lone 7 89 - 7 - 4070/3.0=1, 4078/3.0=1 QE MET 59 - HA GLU 122 lone 5 98 - 5 - 10401=2 HB2 GLU 90 - HA LEU 69 lone 2 88 - 2 - HB3 GLU 90 - HA LEU 69 lone 1 76 - 2 - HG3 PRO 52 - HA LEU 69 lone 1 60 - 2 - HB3 GLU 37 - HA LEU 69 lone 1 69 - 1 - HB2 GLU 37 - HA LEU 69 lone 0 60 - 1 - Peak 4064 from aliabs.peaks (3.10, 1.53, 29.51 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.79: * HA TYR 119 + HB2 GLU 122 OK 72 100 - 72 - 4064=22, 3989/1.8=21...(15) HA ALA 105 + HB2 GLU 122 OK 27 100 - 27 - 4072/1.8=8, 9459/3.0=5...(7) HB3 ASN 96 - HB2 GLU 122 lone 3 77 - 4 - HD2 ARG 109 - HB2 GLU 122 lone 3 92 - 3 - HD2 ARG 145 - HB2 GLU 122 lone 2 81 - 3 - HD3 ARG 145 - HB2 GLU 122 lone 2 77 - 3 - Peak 4066 from aliabs.peaks (4.01, 1.53, 29.51 ppm; 3.70 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 3.0=100 HA LEU 69 - HB2 GLU 122 OK 29 99 - 30 - 4066=5, 4074/1.8=5...(11) HB3 SER 138 - HB2 GLU 122 OK 22 68 - 33 - 1.8/4066=5, 4066=5...(13) HB2 SER 138 - HB2 GLU 122 OK 20 62 - 32 - 1.8/4066=5, 4066=4...(13) HA VAL 63 - HB2 GLU 122 OK 15 85 - 17 - 4074/1.8=2, 3.0/4070=2...(5) HA GLU 37 - HB2 GLU 122 OK 14 68 - 21 - 3.0/4070=3, 3.0/4070=3...(8) HA LYS 114 - HB2 GLU 122 OK 14 77 - 18 - 4066=3, 4074/1.8=2...(6) HA MET 113 - HB2 GLU 122 OK 11 68 - 16 - 4066=2, 4074/1.8=2...(5) HB3 SER 100 - HB2 GLU 122 lone 8 100 - 8 - 4074/1.8=1 HB2 SER 103 - HB2 GLU 122 lone 5 100 - 5 - Peak 4067 from aliabs.peaks (1.53, 1.53, 29.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 122 + HB2 GLU 122 OK 100 100 - 100 Peak 4068 from aliabs.peaks (1.95, 1.53, 29.51 ppm; 3.32 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 1.8=100 HG2 PRO 52 + HB2 GLU 122 OK 48 68 - 72 - 4068=10, 1.8/4070=9...(44) HB3 PRO 52 - HB2 GLU 122 OK 45 62 - 72 - 4068=10, 2.3/4068=8...(48) HB2 LYS 61 - HB2 GLU 122 OK 27 98 - 27 - 1.8/4069=4, ~4077=3...(10) HB3 LEU 132 - HB2 GLU 122 OK 25 68 - 37 - 3.2/11037=11, ~11034=5...(11) HB2 LYS 34 - HB2 GLU 122 OK 20 81 - 24 - 2.9/530=2, 497=2...(12) HB3 PRO 98 - HB2 GLU 122 OK 15 100 - 14 - 4068=2, 3.0/9138=1...(4) HG2 PRO 12 - HB2 GLU 122 lone 7 99 - 7 - HB3 MET 11 - HB2 GLU 122 lone 6 77 - 7 - Peak 4069 from aliabs.peaks (2.09, 1.53, 29.51 ppm; 3.59 A): 1 out of 12 assignments used, quality = 1.00: * HG2 GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 3.0=100 HD2 ARG 49 - HB2 GLU 122 OK 35 81 - 43 - 1.8/4064=8, 4069=7...(14) HB3 LYS 61 - HB2 GLU 122 OK 29 89 - 33 - 4069=6, 4077/1.8=5...(15) HG2 PRO 33 - HB2 GLU 122 OK 28 96 - 29 - 1.8/10997=5, 10994=4...(9) HG3 PRO 33 - HB2 GLU 122 OK 26 98 - 27 - 10997=5, 1.8/10994=4...(8) HB2 PRO 129 - HB2 GLU 122 OK 19 96 - 20 - 4069=3, ~10267=3...(5) HB2 GLU 131 - HB2 GLU 122 OK 18 94 - 19 - 4.0/9550=5, 1.8/9556=4...(6) HB2 LEU 26 - HB2 GLU 122 OK 16 77 - 21 - 4069=3, ~9456=3...(7) HG2 PRO 118 - HB2 GLU 122 poor 8 68 - 11 - 4069=2, 4077/1.8=1 HB3 LYS 36 - HB2 GLU 122 lone 6 92 - 7 - HB3 GLU 142 - HB2 GLU 122 lone 2 100 - 2 - HB3 GLN 25 - HB2 GLU 122 lone 2 94 - 2 - Peak 4070 from aliabs.peaks (2.01, 1.53, 29.51 ppm; 3.54 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 122 + HB2 GLU 122 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 + HB2 GLU 122 OK 52 72 - 72 - 1.8/4068=11, 4070=10...(36) HB3 GLU 37 - HB2 GLU 122 OK 24 81 - 29 - 4070=5, 4078/1.8=3...(12) HB2 GLU 37 - HB2 GLU 122 OK 21 72 - 29 - 4070=4, 1.8/4070=4...(12) HB2 GLU 90 - HB2 GLU 122 OK 19 99 - 19 - 4078/1.8=3, 1.8/4070=2...(7) QE MET 113 - HB2 GLU 122 OK 19 89 - 22 - 9330/11037=4, 4070=3...(7) HB VAL 63 - HB2 GLU 122 OK 16 89 - 18 - 4078/1.8=2, 4070=2...(6) HB3 GLU 90 - HB2 GLU 122 OK 14 89 - 16 - 4070=3, 4078/1.8=2...(5) QE MET 59 - HB2 GLU 122 lone 6 98 - 6 - 10401/3.0=1 Peak 4072 from aliabs.peaks (3.10, 1.95, 29.51 ppm; 5.36 A): 2 out of 6 assignments used, quality = 0.89: * HA TYR 119 + HB3 GLU 122 OK 83 100 - 83 - 4064/1.8=32, 3989=28...(14) HA ALA 105 + HB3 GLU 122 OK 35 100 - 35 - 4064/1.8=12, 9459/3.0=8...(6) HB3 ASN 96 - HB3 GLU 122 lone 4 77 - 6 - 4064/1.8=1, 9459/3.0=1 HD2 ARG 109 - HB3 GLU 122 lone 3 92 - 3 - 4064/1.8=1 HD2 ARG 145 - HB3 GLU 122 lone 3 81 - 3 - HD3 ARG 145 - HB3 GLU 122 lone 3 77 - 3 - Peak 4074 from aliabs.peaks (4.01, 1.95, 29.51 ppm; 3.60 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 3.0=100 HA LEU 69 - HB3 GLU 122 OK 26 99 - 27 - 4066/1.8=4, 4060=4...(11) HB3 SER 138 - HB3 GLU 122 OK 17 68 - 25 - 4066/1.8=4, ~4066=3...(11) HB2 SER 138 - HB3 GLU 122 OK 15 62 - 25 - 4066/1.8=3, ~4066=3...(11) HA VAL 63 - HB3 GLU 122 OK 13 85 - 16 - 4066/1.8=2, 4088/3.0=2...(5) HA GLU 37 - HB3 GLU 122 OK 13 68 - 19 - 3.0/4078=3, 3.0/4078=2...(8) HA LYS 114 - HB3 GLU 122 OK 12 77 - 15 - 4066/1.8=2, 7512/4.0=1...(6) HA MET 113 - HB3 GLU 122 poor 8 68 - 12 - 4066/1.8=2, 4088/3.0=1 HB3 SER 100 - HB3 GLU 122 lone 7 100 - 7 - 4066/1.8=1 HB2 SER 103 - HB3 GLU 122 lone 4 100 - 4 - Peak 4075 from aliabs.peaks (1.53, 1.95, 29.51 ppm; 3.46 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 1.8=100 HB2 LYS 123 - HB3 GLU 122 OK 35 62 - 57 - 3.9/4079=13, 3.0/11606=7...(20) QB ALA 135 - HB3 GLU 122 OK 16 89 - 18 - 10318/11034=2...(7) HG3 LYS 76 - HB3 GLU 122 OK 15 99 - 16 - 4089/3.0=2, 4082/3.0=1...(5) HG3 PRO 57 - HB3 GLU 122 OK 15 85 - 18 - 4082/3.0=2, 4089/3.0=2...(9) HG3 LYS 85 - HB3 GLU 122 OK 11 100 - 11 - 4082/3.0=1, 4089/3.0=1...(4) HB2 LEU 29 - HB3 GLU 122 lone 8 98 - 8 - HD2 LYS 76 - HB3 GLU 122 lone 6 62 - 9 - HG2 LYS 93 - HB3 GLU 122 lone 5 81 - 5 - Peak 4076 from aliabs.peaks (1.95, 1.95, 29.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 122 + HB3 GLU 122 OK 100 100 - 100 Peak 4077 from aliabs.peaks (2.09, 1.95, 29.51 ppm; 3.26 A): 1 out of 12 assignments used, quality = 1.00: * HG2 GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 3.0=100 HD2 ARG 49 - HB3 GLU 122 OK 26 81 - 32 - 1.8/4072=5, ~4064=5...(13) HB3 LYS 61 - HB3 GLU 122 OK 26 89 - 29 - 1673=4, 4069/1.8=4...(13) HG2 PRO 33 - HB3 GLU 122 OK 21 96 - 22 - 10994/1.8=3, ~10997=3...(7) HG3 PRO 33 - HB3 GLU 122 OK 20 98 - 20 - 10997/1.8=4, ~10994=3...(6) HB2 PRO 129 - HB3 GLU 122 OK 14 96 - 15 - 2.3/10267=3, 4069/1.8=2 HB2 GLU 131 - HB3 GLU 122 OK 14 94 - 15 - 4.0/9549=3, ~9556=3...(5) HB2 LEU 26 - HB3 GLU 122 OK 12 77 - 15 - 4069/1.8=2, ~9456=2, 4091/3.0=2 HG2 PRO 118 - HB3 GLU 122 lone 5 68 - 8 - 4069/1.8=1 HB3 LYS 36 - HB3 GLU 122 lone 4 92 - 5 - HB3 GLN 25 - HB3 GLU 122 lone 2 94 - 2 - HB3 GLU 142 - HB3 GLU 122 lone 2 100 - 2 - Peak 4078 from aliabs.peaks (2.01, 1.95, 29.51 ppm; 3.19 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 122 + HB3 GLU 122 OK 100 100 - 100 - 3.0=100 HG3 PRO 52 - HB3 GLU 122 OK 39 72 - 55 - 4070/1.8=7, 4085/3.0=6...(28) HB3 GLU 37 - HB3 GLU 122 OK 16 81 - 20 - 4070/1.8=3, 4085/3.0=2...(7) HB2 GLU 90 - HB3 GLU 122 OK 15 99 - 15 - 4070/1.8=2, 4085/3.0=2...(6) HB2 GLU 37 - HB3 GLU 122 OK 14 72 - 20 - 4070/1.8=3, ~4070=2...(8) QE MET 113 - HB3 GLU 122 OK 12 89 - 14 - 9330/11034=2, 4070/1.8=2...(4) HB VAL 63 - HB3 GLU 122 OK 11 89 - 13 - 4070/1.8=2, 3.0/4074=1...(4) HB3 GLU 90 - HB3 GLU 122 OK 10 89 - 11 - 4070/1.8=2, ~4070=1, 4085/3.0=1 QE MET 59 - HB3 GLU 122 lone 4 98 - 4 - 10401/3.0=1 Peak 4081 from aliabs.peaks (4.01, 2.09, 34.87 ppm; 3.81 A): 1 out of 10 assignments used, quality = 0.98: * HA GLU 122 + HG2 GLU 122 OK 98 100 - 98 - 3.9=95, 4062/1.8=16...(12) HB3 SER 138 - HG2 GLU 122 OK 21 68 - 32 - 1.8/4081=5, 4081=5...(12) HB2 SER 138 - HG2 GLU 122 OK 19 62 - 31 - 1.8/4081=5, 4081=4...(12) HA LEU 69 - HG2 GLU 122 OK 17 99 - 17 - 4074/3.0=4, 4066/3.0=4...(5) HA GLU 37 - HG2 GLU 122 OK 13 68 - 18 - 3.0/4085=3, 3.0/4085=2...(7) HA VAL 63 - HG2 GLU 122 OK 12 85 - 14 - 4088/1.8=2, 4074/3.0=2...(4) HA MET 113 - HG2 GLU 122 poor 9 68 - 14 - 4081=2, 4088/1.8=2...(5) HA LYS 114 - HG2 GLU 122 poor 9 77 - 12 - 4081=2, 4074/3.0=2...(6) HB3 SER 100 - HG2 GLU 122 lone 6 100 - 6 - 4088/1.8=1 HB2 SER 103 - HG2 GLU 122 lone 4 100 - 3 - Peak 4082 from aliabs.peaks (1.53, 2.09, 34.87 ppm; 3.50 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 3.0=100 HB2 LYS 123 - HG2 GLU 122 OK 37 62 - 60 - 3.9/4086=9, 3.7/9453=9...(23) HG3 PRO 57 - HG2 GLU 122 OK 12 85 - 14 - 4089/1.8=2, 4075/3.0=2...(4) QB ALA 135 - HG2 GLU 122 OK 11 89 - 13 - 4075/3.0=2, 4089/1.8=2, 4082=2 HG3 LYS 76 - HG2 GLU 122 poor 10 99 - 10 - 4089/1.8=2, 4075/3.0=2 HG3 LYS 85 - HG2 GLU 122 lone 9 100 - 9 - 4089/1.8=2, 4075/3.0=1, 4082=1 HB2 LEU 29 - HG2 GLU 122 lone 6 98 - 6 - 4089/1.8=1, 4075/3.0=1 HD2 LYS 76 - HG2 GLU 122 lone 4 62 - 6 - HG2 LYS 93 - HG2 GLU 122 lone 3 81 - 4 - Peak 4083 from aliabs.peaks (1.95, 2.09, 34.87 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HG2 GLU 122 OK 47 68 - 69 - 1.8/4085=10, 4083=10...(31) HB3 PRO 52 - HG2 GLU 122 OK 43 62 - 70 - 4083=10, 2.3/4085=9...(35) HB2 LYS 61 - HG2 GLU 122 OK 29 98 - 30 - 1663=4, 4090/1.8=3...(14) HB3 LEU 132 - HG2 GLU 122 OK 20 68 - 30 - ~11037=6, ~9457=4...(10) HB2 LYS 34 - HG2 GLU 122 OK 14 81 - 17 - 2.9/4082=2, 4090/1.8=2...(5) HB3 PRO 98 - HG2 GLU 122 OK 11 100 - 11 - 4090/1.8=1, 4083=1, 4068/3.0=1 HG2 PRO 12 - HG2 GLU 122 lone 5 99 - 5 - HB3 MET 11 - HG2 GLU 122 lone 5 77 - 7 - Peak 4084 from aliabs.peaks (2.09, 2.09, 34.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 122 + HG2 GLU 122 OK 100 100 - 100 Peak 4085 from aliabs.peaks (2.01, 2.09, 34.87 ppm; 2.82 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 122 + HG2 GLU 122 OK 100 100 - 100 - 1.8=100 HG3 PRO 52 - HG2 GLU 122 OK 39 72 - 55 - 4085=10, 1.8/4083=6...(21) HB3 GLU 37 - HG2 GLU 122 OK 14 81 - 17 - 4085=3, 1.8/4085=2...(4) HB2 GLU 37 - HG2 GLU 122 OK 12 72 - 17 - 4085=3, 1.8/4085=2...(4) HB2 GLU 90 - HG2 GLU 122 OK 12 99 - 12 - 2920/1.8=2, 1.8/4085=2...(4) HB3 GLU 90 - HG2 GLU 122 lone 9 89 - 10 - 4085=2 HB VAL 63 - HG2 GLU 122 lone 9 89 - 10 - 4085=1, 4070/3.0=1 QE MET 113 - HG2 GLU 122 lone 8 89 - 9 - 4085=1, 4070/3.0=1, 4078/3.0=1 QE MET 59 - HG2 GLU 122 lone 3 98 - 3 - Peak 4088 from aliabs.peaks (4.01, 2.01, 34.87 ppm; 3.90 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 3.9=100 HB3 SER 138 - HG3 GLU 122 OK 17 68 - 26 - 4081/1.8=4, ~4081=4...(10) HA LEU 69 - HG3 GLU 122 OK 17 99 - 17 - 4074/3.0=4, 4066/3.0=4...(5) HB2 SER 138 - HG3 GLU 122 OK 16 62 - 26 - ~4081=4, 4081/1.8=4...(10) HA VAL 63 - HG3 GLU 122 OK 13 85 - 15 - 4081/1.8=2, 4074/3.0=2...(6) HA GLU 37 - HG3 GLU 122 OK 13 68 - 19 - 4081/1.8=2, 4074/3.0=2...(9) HA MET 113 - HG3 GLU 122 poor 9 68 - 13 - 4081/1.8=2, 4066/3.0=2...(5) HA LYS 114 - HG3 GLU 122 poor 9 77 - 11 - 4074/3.0=2, 4066/3.0=2...(4) HB3 SER 100 - HG3 GLU 122 lone 7 100 - 6 - 4081/1.8=1, 4066/3.0=1 HB2 SER 103 - HG3 GLU 122 lone 4 100 - 4 - Peak 4089 from aliabs.peaks (1.53, 2.01, 34.87 ppm; 3.60 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 3.0=100 HB2 LYS 123 - HG3 GLU 122 OK 36 62 - 58 - 3.9/4093=8, 3.7/9455=7...(22) HG3 PRO 57 - HG3 GLU 122 OK 12 85 - 14 - 4082/1.8=2, 4075/3.0=2, ~1533=1 HG3 LYS 76 - HG3 GLU 122 OK 12 99 - 12 - 4075/3.0=2, 4082/1.8=2 QB ALA 135 - HG3 GLU 122 OK 11 89 - 13 - 4082/1.8=2, 4075/3.0=2...(4) HG3 LYS 85 - HG3 GLU 122 lone 9 100 - 9 - 4082/1.8=2, 4075/3.0=2 HB2 LEU 29 - HG3 GLU 122 lone 6 98 - 6 - 4082/1.8=1, 4075/3.0=1 HD2 LYS 76 - HG3 GLU 122 lone 4 62 - 7 - HG2 LYS 93 - HG3 GLU 122 lone 3 81 - 4 - Peak 4090 from aliabs.peaks (1.95, 2.01, 34.87 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 3.0=100 HG2 PRO 52 + HG3 GLU 122 OK 46 68 - 68 - 2.3/1361=8, 4083/1.8=8...(28) HB3 PRO 52 - HG3 GLU 122 OK 41 62 - 67 - 2.3/1369=8, 1.8/1353=8...(30) HB2 LYS 61 - HG3 GLU 122 OK 25 98 - 25 - 1663/1.8=4, 1.8/4091=4...(11) HB3 LEU 132 - HG3 GLU 122 OK 20 68 - 29 - ~11037=7, 3.2/9457=6...(9) HB2 LYS 34 - HG3 GLU 122 OK 16 81 - 19 - 2.9/4089=2, 4083/1.8=2...(7) HB3 PRO 98 - HG3 GLU 122 OK 11 100 - 11 - 4083/1.8=2, 4068/3.0=1 HB3 MET 11 - HG3 GLU 122 lone 7 77 - 8 - 1.8/23=1 HG2 PRO 12 - HG3 GLU 122 lone 6 99 - 6 - Peak 4091 from aliabs.peaks (2.09, 2.01, 34.87 ppm; 2.86 A): 1 out of 12 assignments used, quality = 1.00: * HG2 GLU 122 + HG3 GLU 122 OK 100 100 - 100 - 1.8=100 HD2 ARG 49 - HG3 GLU 122 OK 17 81 - 21 - ~4064=3, 4069/3.0=3...(10) HB3 LYS 61 - HG3 GLU 122 OK 16 89 - 18 - 4077/3.0=2, 1.8/4090=2...(6) HG2 PRO 33 - HG3 GLU 122 OK 14 96 - 15 - 10994/3.0=2, 4077/3.0=2...(4) HG3 PRO 33 - HG3 GLU 122 OK 14 98 - 14 - 10997/3.0=2, 4077/3.0=2...(4) HB2 PRO 129 - HG3 GLU 122 OK 10 96 - 10 - 4069/3.0=1, 4077/3.0=1, ~10267=1 HB2 LEU 26 - HG3 GLU 122 poor 9 77 - 11 - 3.2/9456=2, 4069/3.0=1...(5) HB2 GLU 131 - HG3 GLU 122 lone 7 94 - 8 - ~9556=2, 4077/3.0=1, 4069/3.0=1 HB3 LYS 36 - HG3 GLU 122 lone 4 92 - 4 - HG2 PRO 118 - HG3 GLU 122 lone 4 68 - 5 - HB3 GLN 25 - HG3 GLU 122 lone 2 94 - 2 - HB3 GLU 142 - HG3 GLU 122 lone 1 100 - 1 - Peak 4092 from aliabs.peaks (2.01, 2.01, 34.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 122 + HG3 GLU 122 OK 100 100 - 100 Peak 4095 from aliabs.peaks (4.03, 4.03, 55.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + HA LYS 123 OK 100 100 - 100 Peak 4096 from aliabs.peaks (1.51, 4.03, 55.70 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.0=100 HB2 GLU 122 - HA LYS 123 OK 38 62 - 61 - ~4079=11, 4071/2.9=8...(21) HG3 PRO 57 - HA LYS 123 OK 29 98 - 29 - 4120/3.0=4, 4142/3.7=3...(15) HG2 LYS 34 - HA LYS 123 OK 18 94 - 19 - 4120/3.0=3, 4142/3.7=3...(9) HG3 LYS 85 - HA LYS 123 poor 8 62 - 12 - 5.1/6948=1, 4120/3.0=1 Peak 4097 from aliabs.peaks (1.45, 4.03, 55.70 ppm; 3.91 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.0=100 HG12 ILE 91 - HA LYS 123 OK 36 77 - 47 - 2.1/4098=10, ~4110=6...(16) HB3 LYS 114 - HA LYS 123 OK 25 100 - 25 - 4109/3.0=4, 4132/3.7=3...(11) HG LEU 126 - HA LYS 123 OK 19 77 - 25 - 7543/3.6=6, 4109/3.0=3...(7) HG2 LYS 48 - HA LYS 123 OK 18 89 - 20 - 4109/3.0=3, 4132/3.7=2...(9) HG2 LYS 24 - HA LYS 123 lone 9 94 - 9 - 4109/3.0=1, 4132/3.7=1 HG3 LYS 86 - HA LYS 123 lone 3 72 - 4 - Peak 4098 from aliabs.peaks (0.34, 4.03, 55.70 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.7=100 QD1 ILE 91 + HA LYS 123 OK 54 100 - 54 - 4110/3.0=11, 4122/3.0=10...(13) QD2 LEU 42 - HA LYS 123 OK 19 85 - 22 - 4122/3.0=4, 4110/3.0=4...(8) Peak 4099 from aliabs.peaks (0.39, 4.03, 55.70 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.7=100 Peak 4100 from aliabs.peaks (1.12, 4.03, 55.70 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.92: * HD2 LYS 123 + HA LYS 123 OK 90 100 - 90 - 4.7=42, 3.0/4103=17...(21) QB ALA 105 + HA LYS 123 OK 24 72 - 33 - 4146/3.7=5, 4135/3.7=5...(12) Peak 4101 from aliabs.peaks (1.23, 4.03, 55.70 ppm; 3.45 A): 3 out of 5 assignments used, quality = 0.96: * HD3 LYS 123 + HA LYS 123 OK 91 100 - 91 - 4.7=40, 1.8/4100=28...(21) QG2 THR 107 + HA LYS 123 OK 36 81 - 44 - 3461=8, 3.2/3448=5...(17) HG12 ILE 101 + HA LYS 123 OK 34 98 - 34 - 4167/3.7=6, 10174/2.9=5...(10) HB3 LEU 87 - HA LYS 123 OK 33 89 - 37 - ~9465=8, 4113/3.0=4...(14) HG12 ILE 58 - HA LYS 123 lone 6 68 - 8 - 2.1/8284=3, 3.2/8281=1 Peak 4102 from aliabs.peaks (2.35, 4.03, 55.70 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 123 + HA LYS 123 OK 99 100 - 99 - 6.2=49, 1.8/4103=41...(25) HB2 PRO 98 + HA LYS 123 OK 53 100 - 53 - 10144/3.6=13...(10) HB2 GLN 47 - HA LYS 123 OK 29 92 - 31 - 4148/3.7=6, 4137/3.7=6...(9) HB3 GLN 47 - HA LYS 123 OK 14 68 - 21 - 4148/3.7=4, 4137/3.7=4...(9) Peak 4103 from aliabs.peaks (2.64, 4.03, 55.70 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: * HE3 LYS 123 + HA LYS 123 OK 99 100 - 99 - 6.2=50, 4188/3.7=41...(25) Peak 4105 from aliabs.peaks (4.16, 1.51, 31.59 ppm; 4.69 A): 5 out of 9 assignments used, quality = 0.94: HA LYS 76 + HB2 LYS 123 OK 72 92 - 78 - 4117/1.8=13...(26) * HA GLU 120 + HB2 LYS 123 OK 52 100 - 52 - 4013/1.8=21, 4012=16...(7) HA CYS 121 + HB2 LYS 123 OK 43 81 - 53 - 9488/4.2=16, 7522/3.9=14...(7) HA LEU 126 + HB2 LYS 123 OK 11 62 - 18 - 4.3/4109=3, 4117/1.8=2...(8) HA PHE 38 + HB2 LYS 123 OK 11 98 - 11 - 4.9/4107=3, 4117/1.8=2...(4) HB2 SER 44 - HB2 LYS 123 lone 10 99 - 10 - 4117/1.8=2, ~4117=1, 7520/3.9=1 HB3 SER 44 - HB2 LYS 123 lone 10 98 - 10 - 4117/1.8=2, ~4117=1, 7520/3.9=1 HA3 GLY 125 - HB2 LYS 123 poor 10 85 - 11 - ~10326=3, ~10327=3, 4117/1.8=2 HA LEU 64 - HB2 LYS 123 poor 9 62 - 14 - 3.9/10626=3, 4.0/11012=2...(6) Peak 4107 from aliabs.peaks (4.03, 1.51, 31.59 ppm; 4.28 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.0=100 HB THR 107 + HB2 LYS 123 OK 74 100 - 74 - 3457/3.7=10, 2.1/4113=9...(23) HA GLU 81 - HB2 LYS 123 OK 30 100 - 30 - 3.6/10325=4, 4119/1.8=3...(12) HA GLU 37 - HB2 LYS 123 OK 27 99 - 27 - 4119/1.8=4, 4152/3.7=3...(10) HA VAL 63 - HB2 LYS 123 OK 26 92 - 28 - 4119/1.8=3, 4141/3.0=3...(14) Peak 4108 from aliabs.peaks (1.51, 1.51, 31.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 Peak 4109 from aliabs.peaks (1.45, 1.51, 31.59 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 1.8=100 HG12 ILE 91 - HB2 LYS 123 OK 42 77 - 55 - 2.1/4110=11, ~4122=7...(19) HB3 LYS 114 - HB2 LYS 123 OK 28 100 - 28 - 4097/3.0=3, 4132/3.0=3...(13) HG LEU 126 - HB2 LYS 123 OK 22 77 - 29 - 7543/4.2=5, 4097/3.0=2...(15) HG2 LYS 48 - HB2 LYS 123 OK 22 89 - 24 - 4097/3.0=2, 4132/3.0=2...(12) HG2 LYS 24 - HB2 LYS 123 OK 11 94 - 11 - 10772/9465=2, 4097/3.0=1 HG3 LYS 86 - HB2 LYS 123 lone 5 72 - 7 - Peak 4110 from aliabs.peaks (0.34, 1.51, 31.59 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.0=100 QD1 ILE 91 + HB2 LYS 123 OK 75 100 - 75 - 4122/1.8=14, 4144/3.0=12...(25) QD2 LEU 42 - HB2 LYS 123 OK 28 85 - 33 - 4122/1.8=6, 4144/3.0=5...(12) Peak 4111 from aliabs.peaks (0.39, 1.51, 31.59 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.0=100 Peak 4112 from aliabs.peaks (1.12, 1.51, 31.59 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.7=100 QB ALA 105 - HB2 LYS 123 OK 44 72 - 61 - 4146/3.0=13, 4135/3.0=12...(9) Peak 4113 from aliabs.peaks (1.23, 1.51, 31.59 ppm; 4.70 A): 4 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.7=100 HB3 LEU 87 + HB2 LYS 123 OK 72 89 - 81 - 3.2/9465=30, 3.1/9465=13...(19) HG12 ILE 101 + HB2 LYS 123 OK 59 98 - 60 - 4167/3.0=13, 4168/3.7=10...(13) QG2 THR 107 + HB2 LYS 123 OK 57 81 - 71 - 2.1/4107=12, 4101/3.0=9...(17) HG12 ILE 58 - HB2 LYS 123 poor 10 68 - 14 - ~8284=2, ~8284=2...(6) Peak 4117 from aliabs.peaks (4.16, 1.45, 31.59 ppm; 4.82 A): 3 out of 9 assignments used, quality = 0.93: HA LYS 76 + HB3 LYS 123 OK 78 92 - 85 - 4105/1.8=13...(34) * HA GLU 120 + HB3 LYS 123 OK 46 100 - 46 - 4013=25, 4012/1.8=16 HA CYS 121 + HB3 LYS 123 OK 39 81 - 48 - 9488/4.2=16, 7522/3.9=15...(6) HB2 SER 44 - HB3 LYS 123 OK 11 99 - 11 - 4105/1.8=2, ~4105=1...(4) HA PHE 38 - HB3 LYS 123 OK 11 98 - 11 - 4.9/4119=3, 4105/1.8=2...(4) HA3 GLY 125 - HB3 LYS 123 OK 11 85 - 12 - ~10326=3, ~10327=3...(4) HA LEU 126 - HB3 LYS 123 OK 11 62 - 17 - 4105/1.8=2, 3.0/4278=2...(6) HB3 SER 44 - HB3 LYS 123 OK 11 98 - 11 - 4105/1.8=2, ~4105=1...(4) HA LEU 64 - HB3 LYS 123 lone 6 62 - 9 - 4105/1.8=2, ~11413=2...(4) Peak 4119 from aliabs.peaks (4.03, 1.45, 31.59 ppm; 4.96 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.0=100 HB THR 107 + HB3 LYS 123 OK 83 100 - 84 - 4107/1.8=13, 3457/3.7=13...(23) HA GLU 37 - HB3 LYS 123 OK 34 99 - 34 - 4107/1.8=5, 4152/3.7=4...(11) HA VAL 63 - HB3 LYS 123 OK 32 92 - 35 - 4107/1.8=5, 4141/3.0=4...(17) HA GLU 81 - HB3 LYS 123 OK 32 100 - 32 - 4107/1.8=5, 4141/3.0=4...(14) Peak 4120 from aliabs.peaks (1.51, 1.45, 31.59 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 1.8=100 HB2 GLU 122 - HB3 LYS 123 OK 39 62 - 63 - 4.7/7531=8, ~4075=7...(23) HG3 PRO 57 - HB3 LYS 123 OK 34 98 - 35 - 4096/3.0=4, 4142/3.0=4...(19) HG2 LYS 34 - HB3 LYS 123 OK 22 94 - 23 - 4142/3.0=3, 4131/3.0=3...(10) HG3 LYS 85 - HB3 LYS 123 OK 10 62 - 16 - 4131/3.0=1, 4096/3.0=1...(4) Peak 4121 from aliabs.peaks (1.45, 1.45, 31.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 Peak 4122 from aliabs.peaks (0.34, 1.45, 31.59 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.0=100 QD1 ILE 91 + HB3 LYS 123 OK 76 100 - 77 - 4110/1.8=14, 4144/3.0=12...(31) QD2 LEU 42 - HB3 LYS 123 OK 31 85 - 36 - 4110/1.8=5, 4144/3.0=5...(14) Peak 4123 from aliabs.peaks (0.39, 1.45, 31.59 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.0=100 Peak 4124 from aliabs.peaks (1.12, 1.45, 31.59 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.7=100 QB ALA 105 + HB3 LYS 123 OK 53 72 - 73 - 4146/3.0=16, 4135/3.0=16...(9) Peak 4125 from aliabs.peaks (1.23, 1.45, 31.59 ppm; 4.91 A): 4 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.7=100 HB3 LEU 87 + HB3 LYS 123 OK 71 89 - 80 - ~9465=24, 3.2/10772=11...(18) QG2 THR 107 + HB3 LYS 123 OK 60 81 - 74 - 2.1/4119=11, ~4107=9...(17) HG12 ILE 101 + HB3 LYS 123 OK 59 98 - 60 - 4167/3.0=14, 4168/3.7=10...(12) HG12 ILE 58 - HB3 LYS 123 poor 9 68 - 14 - ~8284=2, ~8284=2...(5) Peak 4130 from aliabs.peaks (4.03, 0.34, 22.91 ppm; 4.92 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.7=100 HB THR 107 + HG2 LYS 123 OK 83 100 - 83 - 3457/2.9=14, 4141/1.8=14...(21) HA GLU 37 - HG2 LYS 123 OK 32 99 - 32 - 4141/1.8=5, 4152/2.9=5...(10) HA VAL 63 - HG2 LYS 123 OK 29 92 - 31 - 4141/1.8=4, 4152/2.9=4...(11) HA GLU 81 - HG2 LYS 123 OK 27 100 - 27 - 4107/3.0=5, 4141/1.8=4...(9) Peak 4131 from aliabs.peaks (1.51, 0.34, 22.91 ppm; 4.25 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 GLU 122 + HG2 LYS 123 OK 54 62 - 86 - 4.7/7532=23, ~9455=9...(30) HG3 PRO 57 - HG2 LYS 123 OK 44 98 - 45 - 4142/1.8=7, 4120/3.0=6...(20) HG2 LYS 34 - HG2 LYS 123 OK 37 94 - 39 - 4142/1.8=6, ~9470=6...(12) HG3 LYS 85 - HG2 LYS 123 OK 13 62 - 21 - 4142/1.8=2, 4120/3.0=2...(9) Peak 4132 from aliabs.peaks (1.45, 0.34, 22.91 ppm; 4.95 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.0=100 HG12 ILE 91 + HG2 LYS 123 OK 64 77 - 84 - 1.8/2984=13, ~4144=12...(25) HB3 LYS 114 - HG2 LYS 123 OK 45 100 - 45 - 4143/1.8=6, 4109/3.0=5...(20) HG LEU 126 - HG2 LYS 123 OK 36 77 - 46 - 7543/4.8=7, 4143/1.8=4...(25) HG2 LYS 48 - HG2 LYS 123 OK 34 89 - 37 - 4143/1.8=4, 4109/3.0=4...(13) HG2 LYS 24 - HG2 LYS 123 OK 18 94 - 19 - 4143/1.8=2, 4109/3.0=2...(8) HG3 LYS 86 - HG2 LYS 123 OK 10 72 - 14 - 2724/11412=3 Peak 4133 from aliabs.peaks (0.34, 0.34, 22.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 Peak 4134 from aliabs.peaks (0.39, 0.34, 22.91 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 4135 from aliabs.peaks (1.12, 0.34, 22.91 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 QB ALA 105 + HG2 LYS 123 OK 47 72 - 64 - 4146/1.8=13, 4190/3.8=9...(12) Peak 4136 from aliabs.peaks (1.23, 0.34, 22.91 ppm; 4.44 A): 4 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 HB3 LEU 87 + HG2 LYS 123 OK 75 89 - 84 - 3.1/10060=18...(30) HG12 ILE 101 + HG2 LYS 123 OK 72 98 - 74 - 4167/1.8=15, 4166=10...(25) QG2 THR 107 + HG2 LYS 123 OK 65 81 - 80 - 2.1/4130=10, 4147/1.8=9...(23) HG12 ILE 58 - HG2 LYS 123 lone 6 68 - 9 - 2804/10060=1 Peak 4137 from aliabs.peaks (2.35, 0.34, 22.91 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.8=100 HB2 PRO 98 + HG2 LYS 123 OK 63 100 - 63 - 4170/2.9=13, 4159/2.9=13...(11) HB2 GLN 47 - HG2 LYS 123 OK 40 92 - 43 - 4148/1.8=9, 4170/2.9=8...(11) HB3 GLN 47 - HG2 LYS 123 OK 31 68 - 46 - ~4148=7, ~4170=6...(14) Peak 4138 from aliabs.peaks (2.64, 0.34, 22.91 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.8=100 Peak 4141 from aliabs.peaks (4.03, 0.39, 22.91 ppm; 4.50 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.7=100 HB THR 107 + HG3 LYS 123 OK 78 100 - 78 - 3457/2.9=13, 4152/2.9=12...(23) HA GLU 37 - HG3 LYS 123 OK 27 99 - 27 - 4152/2.9=4, 4130/1.8=4...(9) HA GLU 81 - HG3 LYS 123 OK 25 100 - 25 - 4107/3.0=4, 4130/1.8=3...(10) HA VAL 63 - HG3 LYS 123 OK 24 92 - 27 - 4130/1.8=4, 4152/2.9=3...(11) Peak 4142 from aliabs.peaks (1.51, 0.39, 22.91 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 GLU 122 + HG3 LYS 123 OK 52 62 - 84 - 4.7/7533=15, ~11606=11...(30) HG3 PRO 57 - HG3 LYS 123 OK 42 98 - 43 - 4131/1.8=6, 4120/3.0=6...(20) HG2 LYS 34 - HG3 LYS 123 OK 35 94 - 37 - 4131/1.8=5, ~9470=5...(12) HG3 LYS 85 - HG3 LYS 123 OK 11 62 - 17 - 4131/1.8=2, 4120/3.0=2...(6) Peak 4143 from aliabs.peaks (1.45, 0.39, 22.91 ppm; 4.67 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.0=100 HG12 ILE 91 + HG3 LYS 123 OK 57 77 - 74 - 2.1/4144=15, ~2984=10...(20) HB3 LYS 114 - HG3 LYS 123 OK 34 100 - 34 - 4132/1.8=5, 4109/3.0=5...(16) HG2 LYS 48 - HG3 LYS 123 OK 27 89 - 30 - 4132/1.8=4, 4109/3.0=4...(11) HG LEU 126 - HG3 LYS 123 OK 26 77 - 34 - 7543/4.8=6, 4132/1.8=4...(18) HG2 LYS 24 - HG3 LYS 123 OK 12 94 - 13 - 4132/1.8=2, 4109/3.0=2...(6) HG3 LYS 86 - HG3 LYS 123 lone 6 72 - 7 - 4132/1.8=1 Peak 4144 from aliabs.peaks (0.34, 0.39, 22.91 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 1.8=100 QD1 ILE 91 + HG3 LYS 123 OK 60 100 - 61 - 4155/2.9=8, 4110/3.0=8...(19) QD2 LEU 42 - HG3 LYS 123 OK 24 85 - 28 - 8162/9464=5, 4122/3.0=3...(12) Peak 4145 from aliabs.peaks (0.39, 0.39, 22.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 Peak 4146 from aliabs.peaks (1.12, 0.39, 22.91 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 QB ALA 105 + HG3 LYS 123 OK 47 72 - 64 - 4135/1.8=12...(13) Peak 4147 from aliabs.peaks (1.23, 0.39, 22.91 ppm; 4.30 A): 4 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 HG12 ILE 101 + HG3 LYS 123 OK 70 98 - 72 - 4167=18, 4168/2.9=10...(22) HB3 LEU 87 + HG3 LYS 123 OK 69 89 - 77 - ~9465=13, ~10060=12...(28) QG2 THR 107 + HG3 LYS 123 OK 64 81 - 78 - 2.1/4141=10, 4136/1.8=8...(25) HG12 ILE 58 - HG3 LYS 123 lone 5 68 - 7 - Peak 4148 from aliabs.peaks (2.35, 0.39, 22.91 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.8=100 HB2 PRO 98 + HG3 LYS 123 OK 58 100 - 58 - 4170/2.9=12, 4159/2.9=12...(11) HB2 GLN 47 - HG3 LYS 123 OK 38 92 - 41 - 4137/1.8=8, 4170/2.9=8...(12) HB3 GLN 47 - HG3 LYS 123 OK 29 68 - 43 - ~4137=6, ~4170=5...(15) Peak 4149 from aliabs.peaks (2.64, 0.39, 22.91 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.8=100 Peak 4152 from aliabs.peaks (4.03, 1.12, 27.29 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.98: * HA LYS 123 + HD2 LYS 123 OK 95 100 - 95 - 4.7=54, 4103/3.0=21...(22) HB THR 107 + HD2 LYS 123 OK 67 100 - 67 - 3457/1.8=13, 2.1/4158=10...(20) HA GLU 37 - HD2 LYS 123 OK 23 99 - 24 - ~10331=6, 4163/1.8=4...(9) HA VAL 63 - HD2 LYS 123 OK 20 92 - 22 - ~9468=3, 4163/1.8=3...(12) HA GLU 81 - HD2 LYS 123 OK 15 100 - 15 - 4107/3.7=2, 4163/1.8=2...(8) Peak 4153 from aliabs.peaks (1.51, 1.12, 27.29 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.7=100 HB2 GLU 122 + HD2 LYS 123 OK 47 62 - 75 - 3.0/9453=13, 4.7/4151=13...(20) HG2 LYS 34 - HD2 LYS 123 OK 30 94 - 31 - 2.9/9470=8, 4142/2.9=4...(8) HG3 PRO 57 - HD2 LYS 123 OK 27 98 - 28 - 4142/2.9=5, 4131/2.9=5...(9) HG3 LYS 85 - HD2 LYS 123 poor 7 62 - 11 - 4131/2.9=2, 4120/3.7=1...(5) Peak 4154 from aliabs.peaks (1.45, 1.12, 27.29 ppm; 3.95 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.7=100 HG12 ILE 91 - HD2 LYS 123 OK 42 77 - 54 - 2.1/4155=12, ~4144=6...(16) HB3 LYS 114 - HD2 LYS 123 OK 17 100 - 17 - 4109/3.7=3, 4132/2.9=3...(7) HG2 LYS 48 - HD2 LYS 123 OK 15 89 - 16 - 4165/1.8=3, 4132/2.9=3...(7) HG LEU 126 - HD2 LYS 123 OK 12 77 - 16 - 4132/2.9=3, 4109/3.7=2...(8) HG2 LYS 24 - HD2 LYS 123 lone 8 94 - 8 - 4132/2.9=1, 4109/3.7=1...(4) HG3 LYS 86 - HD2 LYS 123 lone 3 72 - 4 - Peak 4155 from aliabs.peaks (0.34, 1.12, 27.29 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 2.9=100 QD1 ILE 91 + HD2 LYS 123 OK 64 100 - 65 - 4144/2.9=11, 4166/1.8=9...(18) QD2 LEU 42 - HD2 LYS 123 OK 24 85 - 28 - 4144/2.9=4, 4188/3.0=4...(11) Peak 4156 from aliabs.peaks (0.39, 1.12, 27.29 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 4157 from aliabs.peaks (1.12, 1.12, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 Peak 4158 from aliabs.peaks (1.23, 1.12, 27.29 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 1.8=100 HG12 ILE 101 + HD2 LYS 123 OK 54 98 - 55 - 4168=12, 4171/3.0=6...(22) QG2 THR 107 + HD2 LYS 123 OK 46 81 - 56 - 2.1/4152=8, ~3457=6...(24) HB3 LEU 87 - HD2 LYS 123 OK 38 89 - 43 - 4147/2.9=4, 4136/2.9=4...(23) HG12 ILE 58 - HD2 LYS 123 lone 2 68 - 3 - Peak 4159 from aliabs.peaks (2.35, 1.12, 27.29 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 PRO 98 + HD2 LYS 123 OK 70 100 - 71 - 4170/1.8=13, ~9469=11...(21) HB2 GLN 47 - HD2 LYS 123 OK 40 92 - 43 - 4170/1.8=8, 4148/2.9=5...(16) HB3 GLN 47 - HD2 LYS 123 OK 30 68 - 44 - ~4170=6, ~4148=4...(19) Peak 4160 from aliabs.peaks (2.64, 1.12, 27.29 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.0=100 Peak 4163 from aliabs.peaks (4.03, 1.23, 27.29 ppm; 3.54 A): 2 out of 10 assignments used, quality = 0.97: * HA LYS 123 + HD3 LYS 123 OK 92 100 - 92 - 4.7=43, 4100/1.8=29...(21) HB THR 107 + HD3 LYS 123 OK 68 100 - 68 - 3457=15, 4152/1.8=11...(22) HB THR 107 - HG12 ILE 101 OK 37 84 - 44 - 3457=7, 9243/2.1=5...(16) HA LYS 123 - HG12 ILE 101 OK 32 84 - 38 - 4101=8, 3.7/4167=7...(11) HA GLU 37 - HD3 LYS 123 OK 20 99 - 20 - ~10331=5, 4152/1.8=3...(8) HA VAL 63 - HD3 LYS 123 OK 18 92 - 20 - 4152/1.8=3, ~9468=2...(10) HA GLU 81 - HD3 LYS 123 OK 13 100 - 13 - 4152/1.8=2, 4107/3.7=2...(7) HA GLU 37 - HG12 ILE 101 lone 6 81 - 8 - ~9180=2, ~9180=2 HA VAL 63 - HG12 ILE 101 lone 5 72 - 6 - 10429/3.2=1 HA GLU 81 - HG12 ILE 101 lone 4 84 - 4 - ~6875=1 Peak 4164 from aliabs.peaks (1.51, 1.23, 27.29 ppm; 2.77 A): 6 out of 10 assignments used, quality = 0.93: * HB2 LYS 123 + HD3 LYS 123 OK 79 100 - 79 - 3.7=41, 1.8/4165=15...(21) HG2 LYS 34 + HG12 ILE 101 OK 28 75 - 37 - ~9180=4, ~530=4, ~9180=3...(15) HB2 GLU 122 + HD3 LYS 123 OK 25 62 - 40 - ~9453=4, ~9453=4...(18) HB2 LYS 123 + HG12 ILE 101 OK 21 84 - 25 - 3.0/4167=4, 3.7/4168=4...(9) HG2 LYS 34 + HD3 LYS 123 OK 15 94 - 16 - ~9470=2, 4153/1.8=2...(7) HG3 PRO 57 + HD3 LYS 123 OK 13 98 - 14 - 4142/2.9=2, 4131/2.9=2...(8) HG3 PRO 57 - HG12 ILE 101 poor 8 80 - 10 - ~8263=2, ~10631=1 HG3 LYS 85 - HG12 ILE 101 lone 3 46 - 7 - ~10177=3, ~10179=1 HB2 GLU 122 - HG12 ILE 101 lone 3 46 - 7 - 4.7/10174=2, 3.0/9458=1 HG3 LYS 85 - HD3 LYS 123 lone 3 62 - 5 - Peak 4165 from aliabs.peaks (1.45, 1.23, 27.29 ppm; 3.39 A): 1 out of 14 assignments used, quality = 0.95: * HB3 LYS 123 + HD3 LYS 123 OK 95 100 - 95 - 3.7=76, 1.8/4164=20...(22) HG2 LYS 24 - HG12 ILE 101 OK 33 75 - 44 - ~10177=10, ~10129=7...(19) HG12 ILE 91 - HD3 LYS 123 OK 33 77 - 42 - 2.1/4166=6, 4154/1.8=6...(15) HB3 LYS 123 - HG12 ILE 101 OK 31 84 - 36 - 3.0/4167=7, 3.7/4168=5...(9) HB3 LYS 114 - HG12 ILE 101 OK 27 83 - 32 - 3761/1.8=6, ~3749=4...(12) HB3 LYS 114 - HD3 LYS 123 OK 14 100 - 14 - 4154/1.8=2, 4109/3.7=2...(5) HG2 LYS 48 - HD3 LYS 123 OK 11 89 - 13 - 4154/1.8=2, 4132/2.9=2...(7) HG LEU 126 - HD3 LYS 123 poor 9 77 - 12 - 4109/3.7=2, 4132/2.9=2...(5) HG2 LYS 24 - HD3 LYS 123 lone 6 94 - 7 - 4154/1.8=1 HG12 ILE 91 - HG12 ILE 101 lone 4 58 - 7 - 2.1/4166=1 HG2 LYS 48 - HG12 ILE 101 lone 4 69 - 6 - HG3 LYS 86 - HD3 LYS 123 lone 2 72 - 3 - HG3 LYS 86 - HG12 ILE 101 lone 2 54 - 3 - HG LEU 126 - HG12 ILE 101 lone 2 58 - 3 - Peak 4166 from aliabs.peaks (0.34, 1.23, 27.29 ppm; 4.04 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 2.9=100 QD1 ILE 91 + HD3 LYS 123 OK 67 100 - 68 - 4155/1.8=13, 4144/2.9=11...(19) HG2 LYS 123 + HG12 ILE 101 OK 56 84 - 67 - 1.8/4167=13, 2.9/4168=9...(23) QD2 LEU 42 - HD3 LYS 123 OK 26 85 - 30 - 4155/1.8=5, 4144/2.9=4...(11) QD1 ILE 91 - HG12 ILE 101 OK 14 83 - 17 - 10062/2812=2...(6) QD2 LEU 42 - HG12 ILE 101 poor 8 66 - 12 - 4767/10332=4 Peak 4167 from aliabs.peaks (0.39, 1.23, 27.29 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 2.9=100 HG3 LYS 123 + HG12 ILE 101 OK 58 84 - 69 - 4147=11, 2.9/4168=10...(22) Peak 4168 from aliabs.peaks (1.12, 1.23, 27.29 ppm; 3.10 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 1.8=100 HD2 LYS 123 - HG12 ILE 101 OK 44 84 - 52 - 4158=10, 3.0/4171=6...(22) QB ALA 105 - HD3 LYS 123 OK 27 72 - 37 - ~3410=5, 4179/3.0=4...(13) QB ALA 105 - HG12 ILE 101 OK 14 54 - 26 - 9220/2.1=4, 2.9/10173=4...(9) Peak 4169 from aliabs.peaks (1.23, 1.23, 27.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 HG12 ILE 101 + HG12 ILE 101 OK 80 80 - 100 Peak 4170 from aliabs.peaks (2.35, 1.23, 27.29 ppm; 3.89 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 3.0=100 HB2 PRO 98 + HG12 ILE 101 OK 79 83 - 95 - ~9175=18, ~9175=17...(29) HB2 PRO 98 + HD3 LYS 123 OK 68 100 - 68 - 4159/1.8=12, 4192/3.0=10...(23) HE2 LYS 123 + HG12 ILE 101 OK 54 84 - 64 - 1.8/4171=12, 3.0/4168=9...(25) HB2 GLN 47 - HD3 LYS 123 OK 39 92 - 42 - 4159/1.8=7, 4192/3.0=5...(16) HB3 GLN 47 - HD3 LYS 123 OK 30 68 - 43 - ~4159=5, 4159/1.8=4...(19) HB2 GLN 47 - HG12 ILE 101 OK 21 72 - 29 - ~10182=12, 10474/3.0=4...(8) HB3 GLN 47 - HG12 ILE 101 poor 9 50 - 18 - ~10474=3, ~10675=3...(7) Peak 4171 from aliabs.peaks (2.64, 1.23, 27.29 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 3.0=100 HE3 LYS 123 + HG12 ILE 101 OK 55 84 - 65 - 4191=11, 3.0/4168=9...(23) Peak 4174 from aliabs.peaks (4.03, 2.35, 41.80 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 6.2=100 HB THR 107 + HE2 LYS 123 OK 87 100 - 87 - 4152/3.0=15, 3457/3.0=15...(19) HA GLU 37 + HE2 LYS 123 OK 52 99 - 53 - 2.8/10331=26, 4185/1.8=7...(9) HA VAL 63 - HE2 LYS 123 OK 44 92 - 48 - 3.0/9468=13, ~10329=7...(11) HA GLU 81 - HE2 LYS 123 OK 33 100 - 33 - 4107/4.8=5, 4141/3.8=5...(9) Peak 4175 from aliabs.peaks (1.51, 2.35, 41.80 ppm; 6.16 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 4.8=100 HB2 GLU 122 + HE2 LYS 123 OK 56 62 - 90 - 4.7/10333=25, ~9455=22...(17) HG2 LYS 34 + HE2 LYS 123 OK 52 94 - 54 - ~9470=13, ~9470=10...(13) HG3 PRO 57 - HE2 LYS 123 OK 44 98 - 45 - 4142/3.8=8, 4131/3.8=8...(9) HG3 LYS 85 - HE2 LYS 123 poor 10 62 - 16 - 4131/3.8=2, 4120/4.8=2...(8) Peak 4176 from aliabs.peaks (1.45, 2.35, 41.80 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 4.8=100 HG12 ILE 91 + HE2 LYS 123 OK 57 77 - 73 - 2.1/4177=17, ~4155=15...(13) HB3 LYS 114 - HE2 LYS 123 OK 36 100 - 36 - 4132/3.8=7, 4143/3.8=6...(10) HG2 LYS 48 - HE2 LYS 123 OK 30 89 - 33 - 4.9/6436=5, 4132/3.8=5...(9) HG LEU 126 - HE2 LYS 123 OK 23 77 - 30 - 4132/3.8=5, 4143/3.8=5...(9) HG2 LYS 24 - HE2 LYS 123 OK 18 94 - 19 - 4187/1.8=3, 4132/3.8=3...(7) HG3 LYS 86 - HE2 LYS 123 lone 7 72 - 9 - 4132/3.8=2, 4109/4.8=1...(4) Peak 4177 from aliabs.peaks (0.34, 2.35, 41.80 ppm; 5.39 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.8=100 QD1 ILE 91 + HE2 LYS 123 OK 72 100 - 72 - 4155/3.0=15, 4188/1.8=15...(14) QD2 LEU 42 - HE2 LYS 123 OK 35 85 - 40 - 4767/9461=11, 4188/1.8=7...(8) Peak 4178 from aliabs.peaks (0.39, 2.35, 41.80 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.8=100 Peak 4179 from aliabs.peaks (1.12, 2.35, 41.80 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.0=100 QB ALA 105 - HE2 LYS 123 OK 43 72 - 59 - ~10335=14, 4190/1.8=12...(13) Peak 4180 from aliabs.peaks (1.23, 2.35, 41.80 ppm; 4.80 A): 4 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.0=100 HG12 ILE 101 + HE2 LYS 123 OK 77 98 - 79 - 4171/1.8=16, 4167/3.8=12...(26) QG2 THR 107 + HE2 LYS 123 OK 62 81 - 76 - 2.1/4174=10, 4191/1.8=9...(19) HB3 LEU 87 + HE2 LYS 123 OK 50 89 - 57 - 4158/3.0=7, 4136/3.8=7...(19) HG12 ILE 58 - HE2 LYS 123 lone 5 68 - 7 - Peak 4181 from aliabs.peaks (2.35, 2.35, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 Peak 4182 from aliabs.peaks (2.64, 2.35, 41.80 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 4185 from aliabs.peaks (4.03, 2.64, 41.80 ppm; 5.73 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 6.2=77, 3.7/4188=47...(26) HB THR 107 + HE3 LYS 123 OK 82 100 - 82 - 3457/3.0=15, 4152/3.0=15...(17) HA GLU 37 - HE3 LYS 123 OK 42 99 - 43 - ~10331=18, 4174/1.8=6...(9) HA VAL 63 - HE3 LYS 123 OK 36 92 - 39 - ~9468=9, 3.0/10329=6...(11) HA GLU 81 - HE3 LYS 123 OK 26 100 - 26 - 4107/4.8=4, 4141/3.8=4...(8) Peak 4186 from aliabs.peaks (1.51, 2.64, 41.80 ppm; 5.04 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 4.8=100 HB2 GLU 122 + HE3 LYS 123 OK 51 62 - 81 - 4.7/7537=23, ~9455=14...(17) HG2 LYS 34 - HE3 LYS 123 OK 40 94 - 42 - ~9470=8, ~9470=7...(12) HG3 PRO 57 - HE3 LYS 123 OK 34 98 - 35 - 4142/3.8=6, 4131/3.8=6...(9) HG3 LYS 85 - HE3 LYS 123 poor 7 62 - 12 - 4131/3.8=2, 4142/3.8=2...(6) Peak 4187 from aliabs.peaks (1.45, 2.64, 41.80 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 4.8=100 HG12 ILE 91 + HE3 LYS 123 OK 56 77 - 72 - 2.1/4188=15, ~4155=15...(11) HB3 LYS 114 - HE3 LYS 123 OK 36 100 - 36 - 4132/3.8=7, 4143/3.8=6...(9) HG2 LYS 48 - HE3 LYS 123 OK 27 89 - 30 - 4132/3.8=5, 4176/1.8=5...(8) HG LEU 126 - HE3 LYS 123 OK 21 77 - 28 - 4132/3.8=5, 4143/3.8=5...(8) HG2 LYS 24 - HE3 LYS 123 OK 17 94 - 18 - 4176/1.8=3, 4132/3.8=3...(8) HG3 LYS 86 - HE3 LYS 123 lone 6 72 - 9 - 4132/3.8=2, 4109/4.8=1...(4) Peak 4188 from aliabs.peaks (0.34, 2.64, 41.80 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.8=100 QD1 ILE 91 + HE3 LYS 123 OK 56 100 - 56 - 4155/3.0=12, 4144/3.8=10...(12) QD2 LEU 42 - HE3 LYS 123 OK 24 85 - 28 - 8162/9462=7, 4155/3.0=4...(8) Peak 4189 from aliabs.peaks (0.39, 2.64, 41.80 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.8=100 Peak 4190 from aliabs.peaks (1.12, 2.64, 41.80 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.0=100 QB ALA 105 + HE3 LYS 123 OK 47 72 - 65 - 2.9/10335=21...(13) Peak 4191 from aliabs.peaks (1.23, 2.64, 41.80 ppm; 4.33 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.0=100 HG12 ILE 101 + HE3 LYS 123 OK 69 98 - 71 - 4171=18, 4168/3.0=10...(24) QG2 THR 107 + HE3 LYS 123 OK 55 81 - 68 - 4180/1.8=9, 2.1/4185=8...(19) HB3 LEU 87 - HE3 LYS 123 OK 43 89 - 49 - 4158/3.0=7, 4136/3.8=6...(19) HG12 ILE 58 - HE3 LYS 123 lone 4 68 - 5 - Peak 4192 from aliabs.peaks (2.35, 2.64, 41.80 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 1.8=100 HB2 PRO 98 + HE3 LYS 123 OK 54 100 - 54 - ~9469=8, ~9469=8...(21) HB2 GLN 47 - HE3 LYS 123 OK 26 92 - 28 - 4170/3.0=4, 4159/3.0=4...(11) HB3 GLN 47 - HE3 LYS 123 OK 16 68 - 24 - 1112/1.8=3, ~4170=2...(13) Peak 4193 from aliabs.peaks (2.64, 2.64, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 Peak 4196 from aliabs.peaks (4.63, 4.63, 54.27 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ARG 124 + HA ARG 124 OK 100 100 - 100 HA LEU 87 - HA LEU 87 OK 30 30 - 100 Peak 4197 from aliabs.peaks (1.81, 4.63, 54.27 ppm; 3.81 A): 2 out of 20 assignments used, quality = 1.00: * HB2 ARG 124 + HA ARG 124 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HA ARG 124 OK 61 98 - 62 - 23/3.0=10, 4.0/11245=8...(29) HB3 LEU 72 - HA ARG 124 OK 40 100 - 40 - 4215/3.0=4, 4224/3.8=3...(24) HD3 LYS 34 - HA ARG 124 OK 35 81 - 44 - 3.4/10799=10, 4215/3.0=4...(17) HG2 PRO 57 - HA ARG 124 OK 15 77 - 20 - 2.3/4199=2, ~7542=2...(8) HB2 LYS 24 - HA LEU 87 OK 14 37 - 37 - 10882/3.0=6, 11326/4.3=5...(16) HD3 LYS 86 - HA LEU 87 OK 12 27 - 46 - ~11563=10, ~2724=8...(11) HD3 LYS 86 - HA ARG 124 OK 12 81 - 15 - 3.0/10671=2, 4215/3.0=1...(4) HB3 MET 68 - HA ARG 124 OK 11 81 - 14 - 4215/3.0=1, 4224/3.8=1...(4) HB2 LYS 24 - HA ARG 124 OK 11 99 - 10 - 11323/3.0=2, 4215/3.0=1 HD3 LYS 36 - HA ARG 124 poor 9 85 - 11 - 721/3.8=1, 2.9/4200=1 HB2 ARG 124 - HA LEU 87 poor 8 39 - 21 - 1.8/4214=4, 4205=4...(6) HD3 LYS 34 - HA LEU 87 poor 7 27 - 27 - 3.4/10799=6, 5.8/10798=2...(10) HB2 ARG 141 - HA ARG 124 lone 6 77 - 8 - HB3 LEU 72 - HA LEU 87 lone 2 38 - 4 - ~8908=2 HG2 PRO 57 - HA LEU 87 lone 2 25 - 6 - ~6993=2, 8267/11244=2 HD3 LYS 36 - HA LEU 87 lone 1 29 - 4 - ~8887=2 HB2 MET 11 - HA LEU 87 lone 1 36 - 3 - HB2 ARG 141 - HA LEU 87 lone 1 25 - 3 - HB3 MET 68 - HA LEU 87 lone 0 27 - 1 - Peak 4198 from aliabs.peaks (1.99, 4.63, 54.27 ppm; 3.67 A): 1 out of 22 assignments used, quality = 1.00: * HB3 ARG 124 + HA ARG 124 OK 100 100 - 100 - 3.0=100 QE MET 11 - HA ARG 124 OK 32 100 - 32 - 43/3.0=6, 44/3.0=5...(14) HB ILE 56 - HA ARG 124 OK 26 96 - 27 - 4207/3.0=3, 4234/3.8=3...(13) HB2 GLU 142 - HA ARG 124 OK 20 85 - 23 - 3.0/10379=7, 3.0/11001=2...(8) HB3 GLU 75 - HA ARG 124 OK 16 62 - 25 - 3.0/9775=7, ~2212=2...(11) HB2 GLN 111 - HA ARG 124 OK 14 100 - 14 - 11592/10342=2...(6) QE MET 113 - HA ARG 124 poor 9 81 - 11 - 10189/4730=3, 9329/9592=1 HB3 ARG 124 - HA LEU 87 poor 8 39 - 20 - 4214=4, 3.8/4241=3...(6) HB3 GLU 90 - HA LEU 87 poor 7 27 - 27 - ~10973=6, ~11492=5...(9) HG3 PRO 52 - HA ARG 124 lone 5 94 - 5 - HB2 GLN 111 - HA LEU 87 poor 5 39 - 12 - ~2786=2, ~7000=2...(4) HB VAL 63 - HA ARG 124 lone 4 81 - 5 - QE MET 59 - HA ARG 124 lone 2 62 - 4 - HB3 GLU 90 - HA ARG 124 lone 2 81 - 2 - HB ILE 56 - HA LEU 87 lone 2 35 - 5 - QE MET 113 - HA LEU 87 lone 1 27 - 5 - HB2 GLU 142 - HA LEU 87 lone 1 29 - 5 - 3.0/10379=1 QE MET 59 - HA LEU 87 lone 1 19 - 7 - 10566/4.3=2, 10567/3.0=1 QE MET 11 - HA LEU 87 lone 1 39 - 3 - HB3 GLU 75 - HA LEU 87 lone 1 19 - 6 - 3.0/9775=2 HG3 PRO 52 - HA LEU 87 lone 1 34 - 2 - HB VAL 63 - HA LEU 87 lone 1 27 - 2 - Peak 4199 from aliabs.peaks (1.65, 4.63, 54.27 ppm; 3.70 A): 1 out of 24 assignments used, quality = 0.98: * HG2 ARG 124 + HA ARG 124 OK 98 100 - 98 - 3.8=89, 3.0/4250=20...(17) HG2 ARG 140 - HA ARG 124 OK 35 100 - 35 - 2.9/4202=6, 2.9/4202=6...(11) HG13 ILE 136 - HA ARG 124 OK 26 77 - 34 - ~4611=4, 4627/3.0=4...(15) HB2 ARG 145 - HA ARG 124 OK 23 68 - 34 - 4208/3.0=5, 4217/3.0=4...(15) HB2 PRO 57 - HA ARG 124 OK 17 100 - 17 - 4208/3.0=2, 4217/3.0=2...(6) HB2 LYS 114 - HA LEU 87 OK 16 37 - 43 - 3752/3.0=9, ~3764=7...(13) HB2 LEU 95 - HA ARG 124 OK 13 81 - 16 - 4208/3.0=2, 4217/3.0=2...(8) HB2 LYS 114 - HA ARG 124 OK 11 99 - 11 - 4217/3.0=2, 4208/3.0=2...(6) HB VAL 71 - HA ARG 124 OK 10 81 - 13 - 4208/3.0=2, 4217/3.0=1...(6) HG2 ARG 89 - HA ARG 124 lone 8 81 - 10 - 4217/3.0=1, 4208/3.0=1...(4) HG2 ARG 124 - HA LEU 87 poor 8 39 - 20 - 3.0/4241=4, 3.0/4250=4...(6) HB3 LEU 26 - HA ARG 124 lone 6 92 - 6 - HD2 LYS 48 - HA ARG 124 lone 5 81 - 6 - HD3 LYS 93 - HA ARG 124 lone 4 85 - 5 - HB2 PRO 57 - HA LEU 87 lone 2 38 - 6 - ~6993=2, 10585/4715=1 HB VAL 71 - HA LEU 87 lone 2 27 - 9 - ~8889=3, ~8889=2...(4) HD2 LYS 48 - HA LEU 87 lone 2 27 - 9 - ~2787=1 HD3 LYS 93 - HA LEU 87 lone 2 29 - 8 - ~11673=2, ~11144=2 HB2 LEU 95 - HA LEU 87 lone 2 27 - 8 - 3127/3.6=3, ~6996=3 HG2 ARG 140 - HA LEU 87 lone 1 39 - 3 - HB3 LEU 26 - HA LEU 87 lone 1 32 - 4 - HG13 ILE 136 - HA LEU 87 lone 1 25 - 3 - HG2 ARG 89 - HA LEU 87 lone 0 27 - 2 - HB2 ARG 145 - HA LEU 87 lone 0 21 - 2 - Peak 4200 from aliabs.peaks (1.58, 4.63, 54.27 ppm; 3.57 A): 2 out of 18 assignments used, quality = 0.97: * HG3 ARG 124 + HA ARG 124 OK 95 100 - 95 - 3.8=80, 3.0/4250=19...(18) HB2 LEU 126 + HA ARG 124 OK 45 62 - 72 - 3.1/10342=15...(25) HG3 ARG 109 - HA ARG 124 OK 39 98 - 40 - 3.0/4201=7, 4209/3.0=6...(15) HB2 LEU 79 - HA ARG 124 OK 31 77 - 41 - 3.1/10672=7, 3.1/10673=5...(17) HB2 LEU 66 - HA ARG 124 OK 25 100 - 25 - ~9475=7, 7554/3.0=3...(9) HG3 LYS 36 - HA ARG 124 OK 10 100 - 10 - 4209/3.0=2, 10796/4730=1...(4) HG3 ARG 124 - HA LEU 87 poor 7 39 - 18 - 3.0/4241=4, 3.0/4250=4...(6) HD3 LYS 85 - HA ARG 124 lone 6 89 - 6 - HB2 LEU 79 - HA LEU 87 poor 5 25 - 21 - 2369/4.3=3, ~2789=2...(13) HB2 LEU 126 - HA LEU 87 poor 4 19 - 19 - ~11673=5, ~11144=3...(6) HD3 LYS 85 - HA LEU 87 lone 3 30 - 8 - 10051/4.0=3, ~8886=2 HG3 ARG 109 - HA LEU 87 lone 1 36 - 4 - HD3 LYS 61 - HA ARG 124 lone 1 77 - 2 - HD2 LYS 61 - HA ARG 124 lone 1 72 - 2 - HG3 LYS 36 - HA LEU 87 lone 1 39 - 2 - HB2 LEU 66 - HA LEU 87 lone 1 39 - 2 - HD3 LYS 61 - HA LEU 87 lone 0 25 - 2 - HD2 LYS 61 - HA LEU 87 lone 0 23 - 2 - Peak 4201 from aliabs.peaks (3.32, 4.63, 54.27 ppm; 3.56 A): 3 out of 6 assignments used, quality = 0.87: * HD2 ARG 124 + HA ARG 124 OK 76 100 - 76 - 5.2=31, 1.8/4250=24...(19) HD3 ARG 109 + HA ARG 124 OK 34 89 - 39 - 4237/3.8=6, 4228/3.8=6...(16) HB2 TRP 88 + HA ARG 124 OK 17 100 - 16 - 4237/3.8=3, 4228/3.8=3...(7) HB2 TRP 88 - HA LEU 87 poor 10 39 - 25 - 7016/3.6=17, ~6999=2...(6) HD2 ARG 124 - HA LEU 87 poor 9 39 - 23 - 4241=7, 1.8/4250=5...(7) HD3 ARG 109 - HA LEU 87 lone 2 30 - 8 - 7016/3.6=4 Peak 4202 from aliabs.peaks (3.22, 4.63, 54.27 ppm; 3.35 A): 3 out of 12 assignments used, quality = 0.85: * HD3 ARG 124 + HA ARG 124 OK 71 100 - 71 - 4250=30, 1.8/4241=20...(17) HD3 ARG 140 + HA ARG 124 OK 28 96 - 30 - 4229/3.8=5, 4238/3.8=5...(12) HD2 ARG 140 + HA ARG 124 OK 28 96 - 29 - 4238/3.8=5, 4229/3.8=4...(12) HB3 TYR 117 - HA ARG 124 lone 9 94 - 9 - 4.5/4730=6 HD3 ARG 124 - HA LEU 87 poor 7 39 - 18 - 4250=6, 1.8/4241=5...(6) HD3 ARG 89 - HA ARG 124 lone 5 77 - 7 - 4229/3.8=1 HG3 MET 46 - HA ARG 124 lone 3 92 - 3 - HG3 MET 46 - HA LEU 87 lone 1 32 - 3 - ~10479=1 HB3 TYR 117 - HA LEU 87 lone 1 34 - 3 - 4.5/4730=2 HD3 ARG 140 - HA LEU 87 lone 1 35 - 2 - HD2 ARG 140 - HA LEU 87 lone 1 35 - 2 - HD3 ARG 89 - HA LEU 87 lone 0 25 - 1 - Peak 4205 from aliabs.peaks (4.63, 1.81, 31.29 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 3.0=100 HA PRO 129 + HB2 ARG 124 OK 48 100 - 48 - 4214/1.8=11, 4241/3.8=7...(12) HA LEU 87 - HB2 ARG 124 OK 25 89 - 28 - 4214/1.8=6, 4241/3.8=5...(7) HA GLN 62 - HB2 ARG 124 OK 13 85 - 16 - 4214/1.8=3, 4232/3.0=2...(5) Peak 4206 from aliabs.peaks (1.81, 1.81, 31.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 124 + HB2 ARG 124 OK 100 100 - 100 Peak 4207 from aliabs.peaks (1.99, 1.81, 31.29 ppm; 4.35 A): 3 out of 11 assignments used, quality = 1.00: * HB3 ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 1.8=100 QE MET 11 + HB2 ARG 124 OK 55 100 - 55 - 43=8, 3.3/37=7, 4.2/25=7...(16) HB ILE 56 + HB2 ARG 124 OK 48 96 - 50 - 4234/3.0=5, 3.2/9482=5...(17) HB2 GLU 142 - HB2 ARG 124 OK 27 85 - 31 - ~10379=5, ~11001=3...(15) HB2 GLN 111 - HB2 ARG 124 OK 27 100 - 27 - 11592/9482=4, 4234/3.0=3...(12) HB3 GLU 75 - HB2 ARG 124 OK 22 62 - 36 - ~9775=5, ~2212=4...(16) QE MET 113 - HB2 ARG 124 OK 10 81 - 13 - 4198/3.0=1, 4225/3.0=1...(5) HB VAL 63 - HB2 ARG 124 poor 10 81 - 12 - ~8352=2, ~8352=2, 4234/3.0=1 HG3 PRO 52 - HB2 ARG 124 lone 8 94 - 9 - 11592/9482=1 QE MET 59 - HB2 ARG 124 lone 4 62 - 7 - HB3 GLU 90 - HB2 ARG 124 lone 3 81 - 3 - Peak 4208 from aliabs.peaks (1.65, 1.81, 31.29 ppm; 2.50 A): 5 out of 12 assignments used, quality = 0.88: * HG2 ARG 124 + HB2 ARG 124 OK 76 100 - 76 - 3.0=60, 1.8/4209=10...(19) HG2 ARG 140 + HB2 ARG 124 OK 22 100 - 22 - 4235/3.0=2, 4217/1.8=2...(8) HB2 ARG 145 + HB2 ARG 124 OK 20 68 - 30 - 4948=3, 4217/1.8=3...(12) HG13 ILE 136 + HB2 ARG 124 OK 12 77 - 16 - ~10341=2, 2.3/9485=2...(7) HB2 PRO 57 + HB2 ARG 124 OK 11 100 - 11 - 4217/1.8=1, 4235/3.0=1 HB2 LEU 95 - HB2 ARG 124 poor 9 81 - 11 - 4217/1.8=1, 3.1/9481=1 HB VAL 71 - HB2 ARG 124 lone 8 81 - 9 - 2.1/9939=1 HB2 LYS 114 - HB2 ARG 124 lone 7 99 - 7 - HG2 ARG 89 - HB2 ARG 124 lone 5 81 - 6 - HB3 LEU 26 - HB2 ARG 124 lone 4 92 - 4 - HD2 LYS 48 - HB2 ARG 124 lone 2 81 - 2 - HD3 LYS 93 - HB2 ARG 124 lone 2 85 - 2 - Peak 4209 from aliabs.peaks (1.58, 1.81, 31.29 ppm; 2.93 A): 2 out of 9 assignments used, quality = 0.99: * HG3 ARG 124 + HB2 ARG 124 OK 98 100 - 98 - 3.0=96, 1.8/4208=17...(19) HB2 LEU 126 + HB2 ARG 124 OK 46 62 - 73 - 3.1/9482=9, 3.1/9481=6...(41) HG3 ARG 109 - HB2 ARG 124 OK 43 98 - 44 - 4227/3.0=4, 4218/1.8=4...(17) HB2 LEU 79 - HB2 ARG 124 OK 31 77 - 40 - ~8735=4, 3.1/9481=4...(22) HB2 LEU 66 - HB2 ARG 124 OK 16 100 - 16 - 7554/3.9=2, 4200/3.0=2...(6) HG3 LYS 36 - HB2 ARG 124 OK 11 100 - 11 - 701=1, 4218/1.8=1, 4227/3.0=1 HD3 LYS 85 - HB2 ARG 124 lone 4 89 - 4 - HD3 LYS 61 - HB2 ARG 124 lone 1 77 - 1 - HD2 LYS 61 - HB2 ARG 124 lone 1 72 - 1 - Peak 4210 from aliabs.peaks (3.32, 1.81, 31.29 ppm; 4.95 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 3.8=100 HD3 ARG 109 + HB2 ARG 124 OK 68 89 - 77 - 4237/3.0=14, 4228/3.0=13...(31) HB2 TRP 88 - HB2 ARG 124 OK 32 100 - 32 - 4228/3.0=7, 4237/3.0=7...(6) Peak 4211 from aliabs.peaks (3.22, 1.81, 31.29 ppm; 5.22 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 124 + HB2 ARG 124 OK 100 100 - 100 - 3.8=100 HD2 ARG 140 + HB2 ARG 124 OK 79 96 - 82 - 4229/3.0=11, 4238/3.0=11...(30) HD3 ARG 140 + HB2 ARG 124 OK 79 96 - 82 - 4229/3.0=12, 4238/3.0=12...(30) HD3 ARG 89 - HB2 ARG 124 OK 19 77 - 24 - 4229/3.0=3, 4238/3.0=2...(14) HB3 TYR 117 - HB2 ARG 124 poor 10 94 - 10 - 4202/3.0=3, 4229/3.0=1...(5) HG3 MET 46 - HB2 ARG 124 lone 9 92 - 10 - 4229/3.0=1, 4238/3.0=1...(5) Peak 4214 from aliabs.peaks (4.63, 1.99, 31.29 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.0=100 HA PRO 129 + HB3 ARG 124 OK 49 100 - 49 - 4205/1.8=10, 4241/3.8=7...(13) HA LEU 87 - HB3 ARG 124 OK 25 89 - 28 - 4205/1.8=5, 4241/3.8=5...(7) HA GLN 62 - HB3 ARG 124 OK 14 85 - 16 - 4205/1.8=3, 4232/3.0=2...(6) Peak 4215 from aliabs.peaks (1.81, 1.99, 31.29 ppm; 3.50 A): 3 out of 10 assignments used, quality = 1.00: * HB2 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 1.8=100 HB2 MET 11 + HB3 ARG 124 OK 68 98 - 70 - 23=13, 1.8/29=12...(28) HB3 LEU 72 + HB3 ARG 124 OK 46 100 - 46 - 3.2/11609=5, 4215=5...(24) HD3 LYS 34 - HB3 ARG 124 OK 39 81 - 48 - 4215=5, 1.8/4215=5...(23) HG2 PRO 57 - HB3 ARG 124 OK 19 77 - 24 - 2.3/4217=2, 4233/3.0=2...(9) HB3 MET 68 - HB3 ARG 124 OK 14 81 - 18 - 1.8/4217=2, ~4208=1...(4) HB2 LYS 24 - HB3 ARG 124 OK 14 99 - 14 - 11323/1.8=2, 1.8/4215=1 HD3 LYS 86 - HB3 ARG 124 OK 13 81 - 16 - 4215=2 HD3 LYS 36 - HB3 ARG 124 OK 11 85 - 13 - 721/3.0=2, 2.9/4218=1 HB2 ARG 141 - HB3 ARG 124 lone 6 77 - 7 - Peak 4216 from aliabs.peaks (1.99, 1.99, 31.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 124 + HB3 ARG 124 OK 100 100 - 100 Peak 4217 from aliabs.peaks (1.65, 1.99, 31.29 ppm; 3.71 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.0=100 HG2 ARG 140 + HB3 ARG 124 OK 52 100 - 52 - 4208/1.8=6, 4235/3.0=5...(24) HB2 ARG 145 - HB3 ARG 124 OK 42 68 - 62 - 4217=7, 4208/1.8=7...(33) HB2 PRO 57 - HB3 ARG 124 OK 29 100 - 29 - 4208/1.8=3, 4235/3.0=2...(13) HG13 ILE 136 - HB3 ARG 124 OK 28 77 - 37 - 2.1/10341=7, 4208/1.8=3...(15) HB2 LEU 95 - HB3 ARG 124 OK 24 81 - 29 - 4217=3, 4208/1.8=3...(13) HB2 LYS 114 - HB3 ARG 124 OK 20 99 - 20 - 4208/1.8=2, ~3756=2...(10) HB VAL 71 - HB3 ARG 124 OK 16 81 - 20 - 4217=2, 4208/1.8=2...(5) HG2 ARG 89 - HB3 ARG 124 OK 15 81 - 18 - 4217=2, 4208/1.8=2...(5) HB3 LEU 26 - HB3 ARG 124 OK 11 92 - 12 - ~246=1, 3.1/10583=1, 4208/1.8=1 HD2 LYS 48 - HB3 ARG 124 lone 7 81 - 8 - HD3 LYS 93 - HB3 ARG 124 lone 6 85 - 7 - Peak 4218 from aliabs.peaks (1.58, 1.99, 31.29 ppm; 4.11 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HB3 ARG 124 OK 74 98 - 75 - 4209/1.8=8, 4227/3.0=7...(42) HB2 LEU 126 + HB3 ARG 124 OK 59 62 - 95 - 3.0/11081=19...(44) HB2 LEU 79 + HB3 ARG 124 OK 49 77 - 64 - 3.1/9483=9, 3.1/9484=6...(27) HB2 LEU 66 - HB3 ARG 124 OK 32 100 - 32 - 7554/3.9=3, 4200/3.0=3...(15) HG3 LYS 36 - HB3 ARG 124 OK 20 100 - 19 - 4209/1.8=2, 4227/3.0=2...(10) HD3 LYS 85 - HB3 ARG 124 poor 10 89 - 11 - 4218=1 HD3 LYS 61 - HB3 ARG 124 lone 2 77 - 3 - HD2 LYS 61 - HB3 ARG 124 lone 2 72 - 3 - Peak 4219 from aliabs.peaks (3.32, 1.99, 31.29 ppm; 5.76 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.8=100 HD3 ARG 109 + HB3 ARG 124 OK 76 89 - 85 - 4210/1.8=16, 4237/3.0=16...(39) HB2 TRP 88 - HB3 ARG 124 OK 39 100 - 39 - 4228/3.0=9, 4210/1.8=8...(6) Peak 4220 from aliabs.peaks (3.22, 1.99, 31.29 ppm; 6.39 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 124 + HB3 ARG 124 OK 100 100 - 100 - 3.8=100 HD2 ARG 140 + HB3 ARG 124 OK 86 96 - 89 - 4211/1.8=13, 4229/3.0=13...(32) HD3 ARG 140 + HB3 ARG 124 OK 86 96 - 89 - 4211/1.8=13, 4229/3.0=13...(32) HD3 ARG 89 - HB3 ARG 124 OK 23 77 - 30 - 4229/3.0=3, 4211/1.8=3...(16) HB3 TYR 117 - HB3 ARG 124 OK 13 94 - 14 - 4202/3.0=3, 8726/8735=2...(6) HG3 MET 46 - HB3 ARG 124 OK 12 92 - 13 - ~10490=2, 4229/3.0=2...(5) Peak 4223 from aliabs.peaks (4.63, 1.65, 26.40 ppm; 6.48 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.8=100 HA PRO 129 + HG2 ARG 124 OK 50 100 - 50 - 4214/3.0=13, 4205/3.0=12...(8) HA LEU 87 - HG2 ARG 124 OK 34 89 - 38 - 4241/3.0=7, 4232/1.8=7...(8) HA GLN 62 - HG2 ARG 124 OK 18 85 - 21 - 4232/1.8=4, 4214/3.0=4...(5) Peak 4224 from aliabs.peaks (1.81, 1.65, 26.40 ppm; 3.95 A): 3 out of 10 assignments used, quality = 1.00: * HB2 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HG2 ARG 124 OK 67 98 - 69 - 23/3.0=10, 1.8/4225=8...(31) HB3 LEU 72 + HG2 ARG 124 OK 48 100 - 49 - 4233/1.8=5, 3.2/10675=5...(27) HD3 LYS 34 - HG2 ARG 124 OK 41 81 - 50 - 4233/1.8=5, 3.4/4225=5...(21) HG2 PRO 57 - HG2 ARG 124 OK 26 77 - 34 - 4233/1.8=3, 1.8/1538=3...(20) HB3 MET 68 - HG2 ARG 124 OK 18 81 - 22 - 4233/1.8=2, 4215/3.0=1...(10) HD3 LYS 36 - HG2 ARG 124 OK 15 85 - 18 - 721/1.8=2, 2.9/4227=2...(6) HB2 LYS 24 - HG2 ARG 124 OK 14 99 - 14 - 11323/3.0=2, 4233/1.8=2...(5) HD3 LYS 86 - HG2 ARG 124 OK 13 81 - 16 - ~11075=2, 4233/1.8=2...(7) HB2 ARG 141 - HG2 ARG 124 poor 9 77 - 12 - 4.0/4222=2 Peak 4225 from aliabs.peaks (1.99, 1.65, 26.40 ppm; 4.61 A): 3 out of 11 assignments used, quality = 1.00: * HB3 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HB ILE 56 + HG2 ARG 124 OK 54 96 - 56 - 3.2/10597=11, 4234/1.8=7...(17) QE MET 11 + HG2 ARG 124 OK 50 100 - 50 - 43/3.0=8, 4234/1.8=7...(16) HB2 GLN 111 - HG2 ARG 124 OK 32 100 - 32 - 3.0/11485=5, 2.9/3614=4...(11) HB2 GLU 142 - HG2 ARG 124 OK 21 85 - 25 - 4207/3.0=3, 4234/1.8=3...(13) HB3 GLU 75 - HG2 ARG 124 OK 19 62 - 31 - ~2212=4, 4234/1.8=3...(15) QE MET 113 - HG2 ARG 124 OK 13 81 - 17 - 4234/1.8=2, 4243/3.0=1...(7) HG3 PRO 52 - HG2 ARG 124 OK 11 94 - 11 - 4234/1.8=1...(3) HB VAL 63 - HG2 ARG 124 OK 11 81 - 13 - 2.1/8352=4, 4234/1.8=1...(5) QE MET 59 - HG2 ARG 124 lone 5 62 - 8 - HB3 GLU 90 - HG2 ARG 124 lone 4 81 - 4 - Peak 4226 from aliabs.peaks (1.65, 1.65, 26.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 124 + HG2 ARG 124 OK 100 100 - 100 Peak 4227 from aliabs.peaks (1.58, 1.65, 26.40 ppm; 2.69 A): 1 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 1.8=100 HG3 ARG 109 - HG2 ARG 124 OK 43 98 - 45 - 3.0/4228=4, 4209/3.0=3...(18) HB2 LEU 126 - HG2 ARG 124 OK 43 62 - 69 - 3.1/11071=9, 3.1/11070=6...(51) HB2 LEU 79 - HG2 ARG 124 OK 33 77 - 43 - 3.1/11070=5, ~9478=4...(26) HB2 LEU 66 - HG2 ARG 124 OK 14 100 - 14 - 4209/3.0=1, 4245/3.0=1...(5) HG3 LYS 36 - HG2 ARG 124 lone 10 100 - 10 - HD3 LYS 85 - HG2 ARG 124 lone 4 89 - 4 - HD3 LYS 61 - HG2 ARG 124 lone 1 77 - 1 - HD2 LYS 61 - HG2 ARG 124 lone 1 72 - 1 - Peak 4228 from aliabs.peaks (3.32, 1.65, 26.40 ppm; 4.59 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 + HG2 ARG 124 OK 70 89 - 79 - 4237/1.8=15, 4255/3.0=10...(38) HB2 TRP 88 - HG2 ARG 124 OK 41 100 - 40 - 4237/1.8=7, 4255/3.0=5...(11) Peak 4229 from aliabs.peaks (3.22, 1.65, 26.40 ppm; 3.85 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 124 + HG2 ARG 124 OK 100 100 - 100 - 3.0=100 HD2 ARG 140 + HG2 ARG 124 OK 70 96 - 73 - 4238/1.8=10, 4247/3.0=8...(35) HD3 ARG 140 + HG2 ARG 124 OK 70 96 - 73 - 4238/1.8=11, 4247/3.0=9...(35) HD3 ARG 89 - HG2 ARG 124 OK 18 77 - 23 - 1.8/2894=2, 4238/1.8=2...(8) HB3 TYR 117 - HG2 ARG 124 lone 9 94 - 9 - 4202/3.8=1, 4238/1.8=1...(5) HG3 MET 46 - HG2 ARG 124 lone 8 92 - 9 - 4238/1.8=1, 3.3/10490=1 Peak 4232 from aliabs.peaks (4.63, 1.58, 26.40 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.8=100 HA PRO 129 - HG3 ARG 124 OK 37 100 - 38 - 4214/3.0=9, 4205/3.0=9...(7) HA LEU 87 - HG3 ARG 124 OK 24 89 - 27 - 4241/3.0=6, 4250/3.0=6...(6) HA GLN 62 - HG3 ARG 124 OK 12 85 - 14 - 4214/3.0=3, 4250/3.0=2...(5) Peak 4233 from aliabs.peaks (1.81, 1.58, 26.40 ppm; 3.16 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HG3 ARG 124 OK 48 98 - 50 - 23/3.0=7, 1.8/4234=5...(25) HB3 LEU 72 - HG3 ARG 124 OK 30 100 - 30 - 4224/1.8=3, 4215/3.0=3...(14) HD3 LYS 34 - HG3 ARG 124 OK 27 81 - 33 - 4224/1.8=4, 3.4/4234=3...(13) HG2 PRO 57 - HG3 ARG 124 OK 16 77 - 21 - 2.3/4235=2, 4224/1.8=2...(7) HD3 LYS 36 - HG3 ARG 124 OK 13 85 - 15 - 721=2, 2.9/688=2...(5) HB3 MET 68 - HG3 ARG 124 OK 11 81 - 13 - 1.8/4235=2, 4224/1.8=1 HB2 LYS 24 - HG3 ARG 124 lone 9 99 - 9 - 11323/3.0=1 HD3 LYS 86 - HG3 ARG 124 lone 8 81 - 10 - 4224/1.8=1 HB2 ARG 141 - HG3 ARG 124 lone 6 77 - 7 - Peak 4234 from aliabs.peaks (1.99, 1.58, 26.40 ppm; 4.25 A): 2 out of 11 assignments used, quality = 1.00: * HB3 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HB ILE 56 + HG3 ARG 124 OK 49 96 - 51 - ~10597=7, 3.2/10676=6...(18) QE MET 11 - HG3 ARG 124 OK 44 100 - 44 - 43/3.0=7, 44/3.0=6...(16) HB2 GLN 111 - HG3 ARG 124 OK 27 100 - 27 - 11592/11072=4...(10) HB2 GLU 142 - HG3 ARG 124 OK 18 85 - 21 - 4207/3.0=3, 10378/3.8=2...(10) HB3 GLU 75 - HG3 ARG 124 OK 16 62 - 26 - ~2212=3, 4225/1.8=3...(15) QE MET 113 - HG3 ARG 124 OK 10 81 - 12 - 4225/1.8=1, 4243/3.0=1...(4) HB VAL 63 - HG3 ARG 124 poor 9 81 - 11 - ~8352=2, ~8352=2, 4225/1.8=1 HG3 PRO 52 - HG3 ARG 124 lone 8 94 - 8 - 4225/1.8=1, 11592/11072=1 QE MET 59 - HG3 ARG 124 lone 4 62 - 6 - HB3 GLU 90 - HG3 ARG 124 lone 2 81 - 3 - Peak 4235 from aliabs.peaks (1.65, 1.58, 26.40 ppm; 3.04 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 1.8=100 HG2 ARG 140 + HG3 ARG 124 OK 47 100 - 47 - 2.9/4238=6, 2.9/4238=5...(26) HB2 ARG 145 - HG3 ARG 124 OK 34 68 - 51 - 1.8/4233=5, 3.0/10847=5...(24) HG13 ILE 136 - HG3 ARG 124 OK 25 77 - 32 - ~9668=3, ~9668=3...(21) HB2 PRO 57 - HG3 ARG 124 OK 21 100 - 21 - 4208/3.0=2, 2.3/4233=2...(7) HB2 LEU 95 - HG3 ARG 124 OK 18 81 - 23 - 3.1/10677=2, 4208/3.0=1...(10) HB2 LYS 114 - HG3 ARG 124 OK 14 99 - 15 - ~3756=2, 4244/3.0=1...(8) HG2 ARG 89 - HG3 ARG 124 OK 13 81 - 15 - 2881/3.0=1, ~2886=1 HB VAL 71 - HG3 ARG 124 poor 9 81 - 11 - 4208/3.0=1, 4217/3.0=1 HB3 LEU 26 - HG3 ARG 124 lone 8 92 - 8 - 3.1/11465=1 HD3 LYS 93 - HG3 ARG 124 lone 4 85 - 5 - HD2 LYS 48 - HG3 ARG 124 lone 4 81 - 5 - Peak 4236 from aliabs.peaks (1.58, 1.58, 26.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 124 + HG3 ARG 124 OK 100 100 - 100 Peak 4237 from aliabs.peaks (3.32, 1.58, 26.40 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 109 + HG3 ARG 124 OK 60 89 - 67 - 4228/1.8=11, 4255/3.0=8...(37) HB2 TRP 88 - HG3 ARG 124 OK 30 100 - 30 - 4228/1.8=6, 4255/3.0=4...(11) Peak 4238 from aliabs.peaks (3.22, 1.58, 26.40 ppm; 3.22 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 124 + HG3 ARG 124 OK 100 100 - 100 - 3.0=100 HD3 ARG 140 + HG3 ARG 124 OK 55 96 - 57 - 4229/1.8=8, 4247/3.0=7...(24) HD2 ARG 140 + HG3 ARG 124 OK 54 96 - 56 - 4229/1.8=7, 4247/3.0=6...(24) HD3 ARG 89 - HG3 ARG 124 poor 10 77 - 13 - 4229/1.8=2, 3.0/4235=1, ~2894=1 HB3 TYR 117 - HG3 ARG 124 lone 6 94 - 7 - 4202/3.8=1 HG3 MET 46 - HG3 ARG 124 lone 5 92 - 6 - Peak 4241 from aliabs.peaks (4.63, 3.32, 40.91 ppm; 3.52 A): 3 out of 4 assignments used, quality = 0.84: * HA ARG 124 + HD2 ARG 124 OK 75 100 - 75 - 5.2=30, 4250/1.8=24...(19) HA PRO 129 + HD2 ARG 124 OK 24 100 - 24 - 4250/1.8=6, 4241=5...(6) HA LEU 87 + HD2 ARG 124 OK 17 89 - 19 - 4250/1.8=5, 3.6/7016=3...(7) HA GLN 62 - HD2 ARG 124 lone 6 85 - 7 - 4250/1.8=2, 4232/3.0=1...(4) Peak 4242 from aliabs.peaks (1.81, 3.32, 40.91 ppm; 4.44 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.8=100 HB2 MET 11 + HD2 ARG 124 OK 49 98 - 51 - 23/3.8=10, 4233/3.0=8...(12) HD3 LYS 34 - HD2 ARG 124 OK 39 81 - 48 - 2.9/10678=9, 4242=5...(16) HB3 LEU 72 - HD2 ARG 124 OK 33 100 - 33 - 4224/3.0=5, 3.2/9477=5...(11) HG2 PRO 57 - HD2 ARG 124 OK 22 77 - 28 - 4251/1.8=3, 2.3/4244=3...(12) HB2 LYS 24 - HD2 ARG 124 OK 16 99 - 16 - 4251/1.8=2, 11323/3.8=2...(7) HB3 MET 68 - HD2 ARG 124 OK 15 81 - 18 - 1.8/4244=2, 4251/1.8=2...(7) HD3 LYS 36 - HD2 ARG 124 OK 14 85 - 16 - 721/3.0=2, 4251/1.8=2...(7) HD3 LYS 86 - HD2 ARG 124 OK 13 81 - 16 - ~11075=3, 3.0/11074=3...(8) HB2 ARG 141 - HD2 ARG 124 poor 9 77 - 11 - 4251/1.8=1 Peak 4243 from aliabs.peaks (1.99, 3.32, 40.91 ppm; 4.46 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.8=100 HB ILE 56 - HD2 ARG 124 OK 40 96 - 42 - ~10143=9, 4252/1.8=6...(10) QE MET 11 - HD2 ARG 124 OK 33 100 - 34 - 43/3.8=6, 4234/3.0=5...(8) HB2 GLN 111 - HD2 ARG 124 OK 26 100 - 26 - 11022/9478=4, 4252/1.8=4...(11) HB2 GLU 142 - HD2 ARG 124 OK 12 85 - 14 - 4207/3.8=2, 4234/3.0=2...(5) QE MET 113 - HD2 ARG 124 OK 11 81 - 13 - 8735/9478=2, 4252/1.8=2...(6) HB3 GLU 75 - HD2 ARG 124 OK 11 62 - 17 - 4243=2, 4225/3.0=2...(7) HB VAL 63 - HD2 ARG 124 lone 8 81 - 10 - ~8352=2, ~8352=2...(5) HG3 PRO 52 - HD2 ARG 124 lone 8 94 - 8 - 11022/9478=1, 4252/1.8=1 QE MET 59 - HD2 ARG 124 lone 4 62 - 6 - HB3 GLU 90 - HD2 ARG 124 lone 3 81 - 3 - Peak 4244 from aliabs.peaks (1.65, 3.32, 40.91 ppm; 3.61 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.0=100 HG2 ARG 140 + HD2 ARG 124 OK 60 100 - 60 - 2.9/4247=8, 2.9/4247=8...(31) HB2 ARG 145 - HD2 ARG 124 OK 39 68 - 58 - 4244=6, ~10523=5...(27) HG13 ILE 136 - HD2 ARG 124 OK 30 77 - 39 - 2.1/9668=8, ~10334=5...(16) HB2 LYS 114 - HD2 ARG 124 OK 25 99 - 25 - 3.6/10678=9, 4253/1.8=3...(10) HB2 PRO 57 - HD2 ARG 124 OK 23 100 - 24 - 4253/1.8=2, 4235/3.0=2...(8) HB2 LEU 95 - HD2 ARG 124 OK 23 81 - 28 - 3.1/9477=3, 4244=3...(13) HG2 ARG 89 - HD2 ARG 124 OK 17 81 - 20 - 4244=2, 2881/1.8=2...(8) HB VAL 71 - HD2 ARG 124 OK 11 81 - 13 - 4244=2, 4208/3.8=1...(5) HB3 LEU 26 - HD2 ARG 124 lone 8 92 - 9 - ~246=1 HD2 LYS 48 - HD2 ARG 124 lone 6 81 - 7 - HD3 LYS 93 - HD2 ARG 124 lone 6 85 - 7 - Peak 4245 from aliabs.peaks (1.58, 3.32, 40.91 ppm; 3.58 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HD2 ARG 124 OK 63 98 - 65 - 4254/1.8=7, 4245=7...(31) HB2 LEU 126 + HD2 ARG 124 OK 52 62 - 83 - 3.1/10254=12...(37) HB2 LEU 79 + HD2 ARG 124 OK 48 77 - 62 - 3.1/9478=19, 3.1/9477=7...(23) HB2 LEU 66 - HD2 ARG 124 OK 25 100 - 25 - 1.8/11074=3, 4245=3...(9) HG3 LYS 36 - HD2 ARG 124 OK 14 100 - 14 - 4254/1.8=2, 4227/3.0=1...(5) HD3 LYS 85 - HD2 ARG 124 lone 7 89 - 7 - HD3 LYS 61 - HD2 ARG 124 lone 2 77 - 2 - HD2 LYS 61 - HD2 ARG 124 lone 2 72 - 2 - Peak 4246 from aliabs.peaks (3.32, 3.32, 40.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 124 + HD2 ARG 124 OK 100 100 - 100 Peak 4247 from aliabs.peaks (3.22, 3.32, 40.91 ppm; 2.78 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 124 + HD2 ARG 124 OK 100 100 - 100 - 1.8=100 HD3 ARG 140 + HD2 ARG 124 OK 48 96 - 50 - 4247=11, 1.8/4247=7...(17) HD2 ARG 140 + HD2 ARG 124 OK 46 96 - 48 - 4247=8, 1.8/4247=8...(17) HD3 ARG 89 - HD2 ARG 124 lone 6 77 - 8 - HB3 TYR 117 - HD2 ARG 124 lone 6 94 - 6 - 4247=1 HG3 MET 46 - HD2 ARG 124 lone 5 92 - 5 - 4247=1 Peak 4250 from aliabs.peaks (4.63, 3.22, 40.91 ppm; 3.44 A): 3 out of 4 assignments used, quality = 0.81: * HA ARG 124 + HD3 ARG 124 OK 73 100 - 73 - 5.2=28, 4241/1.8=21...(18) HA PRO 129 + HD3 ARG 124 OK 19 100 - 20 - 4241/1.8=7, 4214/3.8=4...(5) HA LEU 87 + HD3 ARG 124 OK 14 89 - 16 - 4241/1.8=5, 4202=2...(6) HA GLN 62 - HD3 ARG 124 lone 6 85 - 7 - 4241/1.8=2, 4232/3.0=1...(4) Peak 4251 from aliabs.peaks (1.81, 3.22, 40.91 ppm; 4.28 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.8=100 HB2 MET 11 + HD3 ARG 124 OK 47 98 - 49 - 23/3.8=9, 4233/3.0=7...(12) HD3 LYS 34 - HD3 ARG 124 OK 32 81 - 39 - ~10678=6, 4242/1.8=5...(14) HB3 LEU 72 - HD3 ARG 124 OK 28 100 - 29 - 4224/3.0=5, 4233/3.0=4...(10) HG2 PRO 57 - HD3 ARG 124 OK 22 77 - 28 - 2.3/4253=3, 4242/1.8=3...(13) HB3 MET 68 - HD3 ARG 124 OK 14 81 - 17 - 4224/3.0=2, 4242/1.8=2...(7) HB2 LYS 24 - HD3 ARG 124 OK 13 99 - 13 - 4242/1.8=2, 11323/3.8=2...(6) HD3 LYS 36 - HD3 ARG 124 OK 13 85 - 15 - 721/3.0=2, 2.9/4254=2...(7) HD3 LYS 86 - HD3 ARG 124 OK 11 81 - 14 - 3.0/11075=4, ~11074=2...(7) HB2 ARG 141 - HD3 ARG 124 lone 8 77 - 10 - 4.0/4249=2, 4242/1.8=1 Peak 4252 from aliabs.peaks (1.99, 3.22, 40.91 ppm; 4.48 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.8=100 HB ILE 56 - HD3 ARG 124 OK 41 96 - 43 - 2.1/10143=8, 4243/1.8=6...(11) QE MET 11 - HD3 ARG 124 OK 32 100 - 33 - 43/3.8=6, 4234/3.0=5...(8) HB2 GLN 111 - HD3 ARG 124 OK 25 100 - 25 - 4243/1.8=4, 4234/3.0=3...(10) HB2 GLU 142 - HD3 ARG 124 OK 12 85 - 14 - 4207/3.8=2, 4234/3.0=2...(5) QE MET 113 - HD3 ARG 124 OK 11 81 - 13 - 4243/1.8=2, 4225/3.0=1...(5) HB3 GLU 75 - HD3 ARG 124 poor 9 62 - 15 - 4225/3.0=2, 4234/3.0=2...(6) HB VAL 63 - HD3 ARG 124 lone 8 81 - 10 - ~8352=2, ~8352=2...(5) HG3 PRO 52 - HD3 ARG 124 lone 7 94 - 7 - 4243/1.8=1, 4225/3.0=1 QE MET 59 - HD3 ARG 124 lone 4 62 - 6 - HB3 GLU 90 - HD3 ARG 124 lone 2 81 - 3 - Peak 4253 from aliabs.peaks (1.65, 3.22, 40.91 ppm; 3.69 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.0=100 HG2 ARG 140 + HD3 ARG 124 OK 54 100 - 55 - 4244/1.8=6, 4739=5...(25) HB2 ARG 145 - HD3 ARG 124 OK 40 68 - 59 - 3.0/10523=7, 4235/3.0=5...(28) HG13 ILE 136 - HD3 ARG 124 OK 32 77 - 42 - ~9668=7, 2.3/10334=7...(15) HB2 LYS 114 - HD3 ARG 124 OK 25 99 - 25 - 3.6/10679=9, 4244/1.8=3...(9) HB2 PRO 57 - HD3 ARG 124 OK 24 100 - 24 - 4244/1.8=3, 4235/3.0=2...(10) HB2 LEU 95 - HD3 ARG 124 OK 23 81 - 28 - 3.1/9479=3, 3.1/9479=3...(13) HG2 ARG 89 - HD3 ARG 124 OK 17 81 - 21 - 4244/1.8=2, 1.8/2889=2...(7) HB VAL 71 - HD3 ARG 124 OK 10 81 - 13 - 4208/3.8=1, 4244/1.8=1...(4) HB3 LEU 26 - HD3 ARG 124 lone 8 92 - 9 - ~246=1 HD3 LYS 93 - HD3 ARG 124 lone 6 85 - 7 - HD2 LYS 48 - HD3 ARG 124 lone 6 81 - 7 - Peak 4254 from aliabs.peaks (1.58, 3.22, 40.91 ppm; 3.58 A): 3 out of 9 assignments used, quality = 1.00: * HG3 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 3.0=100 HG3 ARG 109 + HD3 ARG 124 OK 60 98 - 62 - 3.0/4255=8, 3565/1.8=7...(31) HB2 LEU 126 + HD3 ARG 124 OK 51 62 - 82 - 3.1/10255=13...(37) HB2 LEU 79 - HD3 ARG 124 OK 45 77 - 58 - ~9478=13, 3.1/8726=8...(22) HB2 LEU 66 - HD3 ARG 124 OK 21 100 - 22 - 4245/1.8=3, ~11074=3...(8) HG3 LYS 36 - HD3 ARG 124 OK 13 100 - 13 - 4245/1.8=2, 4227/3.0=1...(6) HD3 LYS 85 - HD3 ARG 124 lone 5 89 - 6 - HD3 LYS 61 - HD3 ARG 124 lone 1 77 - 2 - HD2 LYS 61 - HD3 ARG 124 lone 1 72 - 2 - Peak 4255 from aliabs.peaks (3.32, 3.22, 40.91 ppm; 2.80 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 124 + HD3 ARG 124 OK 100 100 - 100 - 1.8=100 HD3 ARG 109 - HD3 ARG 124 OK 32 89 - 36 - 4237/3.0=5, 4228/3.0=4...(15) HB2 TRP 88 - HD3 ARG 124 OK 16 100 - 16 - 4237/3.0=2, ~2841=2...(8) Peak 4256 from aliabs.peaks (3.22, 3.22, 40.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 124 + HD3 ARG 124 OK 100 100 - 100 Peak 4259 from aliabs.peaks (3.77, 3.77, 47.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 Peak 4260 from aliabs.peaks (4.15, 3.77, 47.69 ppm; 3.27 A): 1 out of 8 assignments used, quality = 1.00: * HA3 GLY 125 + HA2 GLY 125 OK 100 100 - 100 - 1.8=100 HA LEU 126 - HA2 GLY 125 OK 34 98 - 35 - ~7569=8, 7568/3.0=7...(10) HA GLU 120 - HA2 GLY 125 OK 12 85 - 15 - 4.9/10317=10, 7573/3.6=2 HA LYS 76 - HA2 GLY 125 OK 12 100 - 12 - 7574/3.6=3, 7568/3.0=2...(5) HA GLU 131 - HA2 GLY 125 lone 4 85 - 5 - 7574/3.6=1 HB3 SER 44 - HA2 GLY 125 lone 1 98 - 1 - HB2 SER 44 - HA2 GLY 125 lone 1 96 - 1 - HA PHE 38 - HA2 GLY 125 lone 1 62 - 1 - Peak 4263 from aliabs.peaks (3.77, 4.15, 47.69 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 125 + HA3 GLY 125 OK 100 100 - 100 - 1.8=100 HA TYR 27 - HA3 GLY 125 lone 0 62 - 1 - Peak 4264 from aliabs.peaks (4.15, 4.15, 47.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 Peak 4267 from aliabs.peaks (4.15, 4.15, 56.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 126 + HA LEU 126 OK 100 100 - 100 Peak 4268 from aliabs.peaks (1.57, 4.15, 56.34 ppm; 3.78 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 126 + HA LEU 126 OK 100 100 - 100 - 3.0=100 HG3 ARG 124 - HA LEU 126 OK 39 62 - 63 - 3.0/10251=8, 11072/4.0=8...(23) HD2 LYS 85 - HA LEU 126 OK 32 100 - 32 - 3.6/4269=3, 4284/3.0=3...(14) HD3 LYS 85 - HA LEU 126 OK 31 96 - 32 - 3.6/4269=3, 4284/3.0=3...(13) HB2 LEU 66 - HA LEU 126 OK 29 72 - 40 - 1.8/4270=6, ~4278=4...(20) HG2 ARG 109 - HA LEU 126 OK 24 96 - 25 - 4284/3.0=3, 4300/4.0=2...(8) HG3 ARG 109 - HA LEU 126 OK 21 85 - 24 - 4284/3.0=2, 4300/4.0=2...(8) HG2 ARG 145 - HA LEU 126 OK 14 100 - 14 - 4284/3.0=1, 4300/4.0=1...(4) HG3 ARG 145 - HA LEU 126 OK 14 100 - 13 - 4284/3.0=1, 4300/4.0=1...(4) HG2 ARG 55 - HA LEU 126 lone 3 89 - 3 - HG3 ARG 55 - HA LEU 126 lone 3 81 - 3 - HG3 LYS 36 - HA LEU 126 lone 2 62 - 3 - Peak 4269 from aliabs.peaks (1.86, 4.15, 56.34 ppm; 3.96 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 126 + HA LEU 126 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HA LEU 126 OK 75 100 - 75 - 2263=12, 1.8/4270=10...(31) HB3 LYS 85 - HA LEU 126 OK 38 98 - 39 - ~11084=3, 3.6/4268=3...(16) HG LEU 69 - HA LEU 126 OK 31 100 - 32 - 8472/4.0=6, 4277/3.0=5...(8) HB2 LYS 48 - HA LEU 126 poor 10 92 - 11 - 4277/3.0=1, 4301/4.0=1 HB3 GLU 28 - HA LEU 126 lone 7 100 - 7 - HB3 LYS 48 - HA LEU 126 lone 6 68 - 9 - HB2 ARG 144 - HA LEU 126 lone 3 81 - 3 - HB2 LYS 36 - HA LEU 126 lone 3 68 - 4 - Peak 4270 from aliabs.peaks (1.46, 4.15, 56.34 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.98: * HG LEU 126 + HA LEU 126 OK 97 100 - 97 - 4.3=77, 4290/3.0=26...(21) HB2 LYS 76 + HA LEU 126 OK 48 72 - 67 - 1.8/4269=10, 3.0/2274=6...(30) HB3 LEU 66 - HA LEU 126 OK 39 99 - 40 - 4278/3.0=7, 4302/4.0=5...(17) HG3 LYS 86 - HA LEU 126 OK 26 100 - 26 - 4278/3.0=4, 4286/3.0=4...(8) HB3 LYS 123 - HA LEU 126 OK 12 77 - 15 - 4278/3.0=2, 4286/3.0=2...(5) HB3 LYS 114 - HA LEU 126 lone 7 89 - 8 - 4302/4.0=2, 4278/3.0=2 Peak 4271 from aliabs.peaks (0.65, 4.15, 56.34 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.99: * QD1 LEU 126 + HA LEU 126 OK 99 100 - 99 - 4.0=95, 2.1/4272=24...(24) QD2 LEU 64 - HA LEU 126 OK 36 96 - 37 - 4287/3.0=9, 4279/3.0=8...(7) QD2 LEU 79 - HA LEU 126 OK 30 81 - 37 - 4287/3.0=6, 4279/3.0=6...(10) QD1 ILE 56 - HA LEU 126 OK 12 100 - 12 - 4279/3.0=3, 4287/3.0=3...(5) Peak 4272 from aliabs.peaks (0.81, 4.15, 56.34 ppm; 2.97 A): 4 out of 5 assignments used, quality = 0.90: * QD2 LEU 126 + HA LEU 126 OK 79 100 - 79 - 3.9=45, 4306/3.0=11...(14) QG1 VAL 80 + HA LEU 126 OK 23 100 - 23 - 4307=3, 4280/3.0=3...(7) QG2 THR 74 + HA LEU 126 OK 23 94 - 24 - 4309/3.0=4, 4280/3.0=4...(7) QD1 LEU 79 + HA LEU 126 OK 20 92 - 22 - 2.1/4271=3, 4288/3.0=3...(9) QD2 LEU 95 - HA LEU 126 lone 7 85 - 8 - 4280/3.0=1, 4288/3.0=1 Peak 4275 from aliabs.peaks (4.15, 1.57, 41.41 ppm; 4.39 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.0=100 HA LYS 76 + HB2 LEU 126 OK 73 94 - 77 - 4283/1.8=10, 2.9/4278=9...(30) HA3 GLY 125 + HB2 LEU 126 OK 67 98 - 68 - 10337/4.2=17, ~9496=15...(13) HA GLU 131 - HB2 LEU 126 OK 41 98 - 42 - 9554/3.1=6, 4283/1.8=5...(16) HA GLU 120 - HB2 LEU 126 OK 16 62 - 25 - 3.8/11582=6, ~9438=5...(8) HB3 SER 44 - HB2 LEU 126 OK 14 85 - 16 - 4283/1.8=2, 4299/3.1=2...(6) HB2 SER 44 - HB2 LEU 126 OK 14 81 - 16 - 4283/1.8=2, 4299/3.1=1...(8) Peak 4276 from aliabs.peaks (1.57, 1.57, 41.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 Peak 4277 from aliabs.peaks (1.86, 1.57, 41.41 ppm; 4.47 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 1.8=100 HB3 LYS 76 + HB2 LEU 126 OK 87 100 - 87 - 1.8/4278=11, 4269/3.0=10...(41) HG LEU 69 + HB2 LEU 126 OK 70 100 - 70 - ~11376=14, 8472/3.1=10...(17) HB3 LYS 85 - HB2 LEU 126 OK 37 98 - 38 - 4269/3.0=5, 4293/3.0=4...(14) HB2 LYS 48 - HB2 LEU 126 OK 16 92 - 17 - 4301/3.1=2, 4293/3.0=1...(4) HB3 LYS 48 - HB2 LEU 126 OK 11 68 - 15 - ~4301=1, 4301/3.1=1, 2.9/4278=1 HB3 GLU 28 - HB2 LEU 126 lone 9 100 - 9 - HB2 LYS 36 - HB2 LEU 126 lone 4 68 - 6 - HB2 ARG 144 - HB2 LEU 126 lone 4 81 - 4 - Peak 4278 from aliabs.peaks (1.46, 1.57, 41.41 ppm; 3.59 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.0=100 HB3 LEU 66 + HB2 LEU 126 OK 60 99 - 60 - 4302/3.1=6, 1892=5...(34) HB2 LYS 76 + HB2 LEU 126 OK 49 72 - 67 - 1.8/4277=6, 2.9/4275=5...(37) HG3 LYS 86 - HB2 LEU 126 OK 38 100 - 38 - 4286/1.8=4, 4302/3.1=4...(16) HB3 LYS 123 - HB2 LEU 126 OK 16 77 - 21 - 4.2/7554=3, 4286/1.8=2...(8) HB3 LYS 114 - HB2 LEU 126 OK 13 89 - 15 - ~10250=5, 4302/3.1=2...(5) Peak 4279 from aliabs.peaks (0.65, 1.57, 41.41 ppm; 4.11 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB2 LEU 126 OK 57 96 - 59 - 4287/1.8=12, 4295/3.0=9...(16) QD2 LEU 79 + HB2 LEU 126 OK 51 81 - 63 - 4287/1.8=9, 2.1/4280=7...(23) QD1 ILE 56 - HB2 LEU 126 OK 24 100 - 23 - 4287/1.8=4, 4295/3.0=3...(10) Peak 4280 from aliabs.peaks (0.81, 1.57, 41.41 ppm; 3.78 A): 4 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + HB2 LEU 126 OK 100 100 - 100 - 3.1=100 QG2 THR 74 + HB2 LEU 126 OK 71 94 - 75 - ~9492=12, ~8605=11...(23) QG1 VAL 80 + HB2 LEU 126 OK 52 100 - 52 - 4288/1.8=6, 4296/3.0=5...(22) QD1 LEU 79 + HB2 LEU 126 OK 51 92 - 56 - 2.1/4279=7, 4288/1.8=7...(22) QD2 LEU 95 - HB2 LEU 126 OK 21 85 - 25 - 3.9/11077=3, 4288/1.8=3...(11) Peak 4283 from aliabs.peaks (4.15, 1.86, 41.41 ppm; 4.91 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.0=100 HA LYS 76 + HB3 LEU 126 OK 84 94 - 89 - 4283=12, 4275/1.8=11...(40) HA3 GLY 125 + HB3 LEU 126 OK 80 98 - 82 - 3.6/7576=28...(14) HA GLU 131 + HB3 LEU 126 OK 52 98 - 54 - 9554/3.1=7, 4283=6...(17) HB3 SER 44 - HB3 LEU 126 OK 21 85 - 24 - 4283=2, 1.8/4283=2...(12) HB2 SER 44 - HB3 LEU 126 OK 20 81 - 24 - 4283=2, 1.8/4283=2...(12) HA GLU 120 - HB3 LEU 126 OK 19 62 - 31 - ~9438=7, 3.8/11604=5...(13) Peak 4284 from aliabs.peaks (1.57, 1.86, 41.41 ppm; 4.18 A): 6 out of 12 assignments used, quality = 1.00: * HB2 LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 1.8=100 HG3 ARG 124 + HB3 LEU 126 OK 60 62 - 96 - ~11071=15, 11072/3.1=11...(50) HD2 LYS 85 + HB3 LEU 126 OK 53 100 - 53 - 4284=5, 1.8/4284=4...(30) HB2 LEU 66 + HB3 LEU 126 OK 52 72 - 71 - ~4278=7, 1.8/4286=7...(37) HD3 LYS 85 + HB3 LEU 126 OK 51 96 - 53 - 4284=5, 1.8/4284=4...(30) HG2 ARG 109 + HB3 LEU 126 OK 49 96 - 51 - 4284=5, ~10254=4...(29) HG3 ARG 109 - HB3 LEU 126 OK 43 85 - 50 - ~10254=4, 4284=4...(27) HG2 ARG 145 - HB3 LEU 126 OK 27 100 - 27 - 4284=3, 1.8/4284=2...(11) HG3 ARG 145 - HB3 LEU 126 OK 27 100 - 27 - 4284=3, 1.8/4284=2...(12) HG2 ARG 55 - HB3 LEU 126 lone 6 89 - 6 - HG3 ARG 55 - HB3 LEU 126 lone 5 81 - 6 - HG3 LYS 36 - HB3 LEU 126 lone 4 62 - 6 - Peak 4285 from aliabs.peaks (1.86, 1.86, 41.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 126 + HB3 LEU 126 OK 100 100 - 100 Peak 4286 from aliabs.peaks (1.46, 1.86, 41.41 ppm; 4.75 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.0=100 HB3 LEU 66 + HB3 LEU 126 OK 79 99 - 80 - 4278/1.8=11, ~10786=9...(37) HB2 LYS 76 + HB3 LEU 126 OK 65 72 - 90 - 2.9/2241=9, 4278/1.8=9...(43) HG3 LYS 86 + HB3 LEU 126 OK 62 100 - 62 - 4286=8, 4278/1.8=7...(18) HB3 LYS 123 - HB3 LEU 126 OK 27 77 - 35 - 4286=3, 4278/1.8=3...(18) HB3 LYS 114 - HB3 LEU 126 OK 25 89 - 28 - ~10250=9, 4302/3.1=3...(10) Peak 4287 from aliabs.peaks (0.65, 1.86, 41.41 ppm; 3.97 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 126 OK 61 96 - 63 - 4287=14, 4279/1.8=11...(17) QD2 LEU 79 + HB3 LEU 126 OK 50 81 - 62 - 4279/1.8=8, 2.1/4288=7...(25) QD1 ILE 56 - HB3 LEU 126 OK 21 100 - 21 - 4279/1.8=4, 4295/3.0=3...(10) Peak 4288 from aliabs.peaks (0.81, 1.86, 41.41 ppm; 3.82 A): 4 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + HB3 LEU 126 OK 100 100 - 100 - 3.1=100 QG2 THR 74 + HB3 LEU 126 OK 75 94 - 80 - 4288=12, ~9492=12...(25) QD1 LEU 79 + HB3 LEU 126 OK 55 92 - 60 - 4288=9, 2.1/4287=7...(24) QG1 VAL 80 + HB3 LEU 126 OK 52 100 - 52 - 4288=8, 4280/1.8=7...(20) QD2 LEU 95 - HB3 LEU 126 OK 22 85 - 26 - 4288=3, 4280/1.8=3...(12) Peak 4291 from aliabs.peaks (4.15, 1.46, 27.00 ppm; 4.46 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 126 + HG LEU 126 OK 100 100 - 100 - 4.3=100 HA LYS 76 + HG LEU 126 OK 75 94 - 80 - 4299/2.1=11, 2.9/4293=9...(30) HA3 GLY 125 + HG LEU 126 OK 69 98 - 70 - 3.6/4290=28, ~9496=20...(10) HA GLU 131 - HG LEU 126 OK 39 98 - 40 - 9554/2.1=7, 4.2/10406=6...(11) HB3 SER 44 - HG LEU 126 OK 15 85 - 18 - 4299/2.1=2, 4283/3.0=2...(9) HB2 SER 44 - HG LEU 126 OK 15 81 - 18 - 4299/2.1=2, 4283/3.0=2...(11) HA GLU 120 - HG LEU 126 OK 12 62 - 19 - ~9438=6, 4013=3...(7) Peak 4292 from aliabs.peaks (1.57, 1.46, 27.00 ppm; 3.59 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 126 + HG LEU 126 OK 100 100 - 100 - 3.0=100 HG3 ARG 124 + HG LEU 126 OK 58 62 - 93 - ~11071=15, 3.0/11081=14...(47) HB2 LEU 66 - HG LEU 126 OK 42 72 - 59 - ~10786=6, ~11154=6...(30) HG2 ARG 109 - HG LEU 126 OK 34 96 - 35 - ~10254=4, 4300/2.1=4...(13) HD2 LYS 85 - HG LEU 126 OK 32 100 - 32 - 4300/2.1=3, 3.6/4293=3...(14) HG3 ARG 109 - HG LEU 126 OK 31 85 - 36 - ~10254=4, 4300/2.1=3...(14) HD3 LYS 85 - HG LEU 126 OK 30 96 - 32 - 4300/2.1=3, 3.6/4293=3...(14) HG2 ARG 145 - HG LEU 126 OK 18 100 - 18 - 4300/2.1=2, ~10257=2...(6) HG3 ARG 145 - HG LEU 126 OK 18 100 - 18 - 4300/2.1=2, ~10257=2...(6) HG2 ARG 55 - HG LEU 126 lone 4 89 - 5 - HG3 ARG 55 - HG LEU 126 lone 4 81 - 4 - HG3 LYS 36 - HG LEU 126 lone 3 62 - 5 - Peak 4293 from aliabs.peaks (1.86, 1.46, 27.00 ppm; 3.85 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 126 + HG LEU 126 OK 100 100 - 100 - 3.0=100 HB3 LYS 76 + HG LEU 126 OK 78 100 - 79 - 2264=10, 4301/2.1=10...(35) HG LEU 69 + HG LEU 126 OK 64 100 - 64 - ~11376=14, ~10917=8...(17) HB3 LYS 85 - HG LEU 126 OK 36 98 - 37 - 4301/2.1=4, 4.6/6983=3...(15) HB2 LYS 48 - HG LEU 126 OK 12 92 - 12 - 4301/2.1=2, 4277/3.0=1 HB3 LYS 48 - HG LEU 126 poor 7 68 - 11 - 4301/2.1=1, ~4301=1 HB3 GLU 28 - HG LEU 126 lone 7 100 - 7 - HB2 LYS 36 - HG LEU 126 lone 3 68 - 4 - HB2 ARG 144 - HG LEU 126 lone 2 81 - 3 - Peak 4294 from aliabs.peaks (1.46, 1.46, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 126 + HG LEU 126 OK 100 100 - 100 Peak 4295 from aliabs.peaks (0.65, 1.46, 27.00 ppm; 4.15 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 126 + HG LEU 126 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 + HG LEU 126 OK 60 96 - 62 - 4287/3.0=10, 4279/3.0=9...(18) QD2 LEU 79 + HG LEU 126 OK 54 81 - 67 - 2.1/4296=7, 4287/3.0=7...(24) QD1 ILE 56 - HG LEU 126 OK 26 100 - 26 - 3.2/10683=3, 4279/3.0=3...(12) Peak 4296 from aliabs.peaks (0.81, 1.46, 27.00 ppm; 3.66 A): 4 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + HG LEU 126 OK 100 100 - 100 - 2.1=100 QG2 THR 74 + HG LEU 126 OK 76 94 - 81 - ~9492=15, ~8605=14...(23) QG1 VAL 80 + HG LEU 126 OK 55 100 - 55 - 4304/2.1=6, ~2428=5...(22) QD1 LEU 79 + HG LEU 126 OK 51 92 - 55 - 4304/2.1=7, 2.1/4295=6...(21) QD2 LEU 95 - HG LEU 126 OK 21 85 - 25 - 4304/2.1=3, ~10257=2...(12) Peak 4299 from aliabs.peaks (4.15, 0.65, 24.26 ppm; 3.40 A): 3 out of 7 assignments used, quality = 0.98: * HA LEU 126 + QD1 LEU 126 OK 91 100 - 91 - 4.0=63, 4272/2.1=20...(21) HA LYS 76 + QD1 LEU 126 OK 56 94 - 60 - 3.6/8673=10, 2.9/4302=7...(24) HA3 GLY 125 + QD1 LEU 126 OK 50 98 - 51 - 3.0/9496=19, 3.6/4298=15...(10) HA GLU 131 - QD1 LEU 126 OK 22 98 - 23 - 9554/2.1=4, ~9557=3...(10) HA GLU 120 - QD1 LEU 126 OK 12 62 - 19 - 3.8/9494=5, 3.8/9494=4...(6) HB3 SER 44 - QD1 LEU 126 poor 10 85 - 11 - 4307/2.1=1, 4291/2.1=1 HB2 SER 44 - QD1 LEU 126 poor 9 81 - 11 - 4307/2.1=1, 4291/2.1=1 Peak 4300 from aliabs.peaks (1.57, 0.65, 24.26 ppm; 3.13 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 3.1=100 HG3 ARG 124 + QD1 LEU 126 OK 53 62 - 86 - 1.8/11071=17...(39) HB2 LEU 66 - QD1 LEU 126 OK 33 72 - 45 - 3.0/10786=7, 1.8/4302=6...(22) HG2 ARG 109 - QD1 LEU 126 OK 30 96 - 32 - 3.0/10254=5, 3.9/9272=5...(10) HG3 ARG 109 - QD1 LEU 126 OK 27 85 - 32 - 3.0/10254=5, 3.9/9272=5...(12) HD2 LYS 85 - QD1 LEU 126 OK 24 100 - 24 - 4292/2.1=2, 4308/2.1=2...(10) HD3 LYS 85 - QD1 LEU 126 OK 23 96 - 24 - 4292/2.1=2, 4308/2.1=2...(10) HG2 ARG 145 - QD1 LEU 126 OK 16 100 - 16 - 2.9/10257=2, 4292/2.1=1 HG3 ARG 145 - QD1 LEU 126 OK 16 100 - 16 - 2.9/10257=2, 4292/2.1=1 HG2 ARG 55 - QD1 LEU 126 lone 4 89 - 5 - HG3 ARG 55 - QD1 LEU 126 lone 4 81 - 5 - HG3 LYS 36 - QD1 LEU 126 lone 3 62 - 4 - Peak 4301 from aliabs.peaks (1.86, 0.65, 24.26 ppm; 3.20 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 3.1=100 HB3 LYS 76 + QD1 LEU 126 OK 63 100 - 64 - 1.8/4302=9, 2264/2.1=7...(31) HG LEU 69 + QD1 LEU 126 OK 53 100 - 53 - 2.1/11376=17...(16) HB3 LYS 85 - QD1 LEU 126 OK 25 98 - 25 - 4293/2.1=3, 4269/4.0=2...(8) HB2 LYS 48 - QD1 LEU 126 OK 11 92 - 12 - 3.6/10257=2, 3.6/10257=1 HB3 LYS 48 - QD1 LEU 126 poor 7 68 - 11 - 3.6/10257=2, 3.6/10257=1 HB3 GLU 28 - QD1 LEU 126 lone 6 100 - 6 - HB2 ARG 144 - QD1 LEU 126 lone 4 81 - 4 - HB2 LYS 36 - QD1 LEU 126 lone 3 68 - 4 - Peak 4302 from aliabs.peaks (1.46, 0.65, 24.26 ppm; 3.11 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 2.1=100 HB3 LEU 66 + QD1 LEU 126 OK 47 99 - 47 - 3.0/10786=6, 4310/2.1=5...(23) HB2 LYS 76 - QD1 LEU 126 OK 41 72 - 57 - 1.8/4301=8, 4.6/8673=6...(29) HG3 LYS 86 - QD1 LEU 126 OK 37 100 - 37 - ~2708=4, ~2708=3...(17) HB3 LYS 114 - QD1 LEU 126 OK 18 89 - 20 - 2.9/10250=8...(6) HB3 LYS 123 - QD1 LEU 126 OK 13 77 - 17 - ~4109=1, 4310/2.1=1...(5) Peak 4303 from aliabs.peaks (0.65, 0.65, 24.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 126 + QD1 LEU 126 OK 100 100 - 100 Peak 4304 from aliabs.peaks (0.81, 0.65, 24.26 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 126 + QD1 LEU 126 OK 100 100 - 100 - 2.1=100 QG2 THR 74 + QD1 LEU 126 OK 48 94 - 51 - 2.1/9492=11, 3.2/9493=11...(17) QD1 LEU 79 - QD1 LEU 126 OK 38 92 - 41 - 4.2/10350=6, 2402=4...(17) QG1 VAL 80 - QD1 LEU 126 OK 33 100 - 33 - 4311=5, 4296/2.1=3...(16) QD2 LEU 95 - QD1 LEU 126 OK 16 85 - 18 - 3.9/10253=2, 3.1/10257=2...(4) Peak 4307 from aliabs.peaks (4.15, 0.81, 22.01 ppm; 2.59 A): 7 out of 21 assignments used, quality = 0.94: * HA LEU 126 + QD2 LEU 126 OK 65 100 - 65 - 3.9=30, 3.0/4306=8...(14) HA LYS 76 + QD2 LEU 126 OK 36 94 - 38 - 4307=8, 4299/2.1=4...(16) HA GLU 131 + QG1 VAL 80 OK 34 84 - 40 - 3.0/10404=6, 3.6/9547=5...(16) HA3 GLY 125 + QD2 LEU 126 OK 33 98 - 34 - 3.6/4306=7, 4307=7...(11) HA GLU 131 + QD2 LEU 126 OK 17 98 - 17 - 4307=3, 4.2/9559=2...(10) HA LEU 126 + QG1 VAL 80 OK 16 89 - 19 - 4272=5, 3.0/4280=2...(7) HA LEU 126 + QG2 THR 74 OK 11 58 - 20 - 4272=5, 3.0/4309=3...(7) HB3 SER 44 - QD2 LEU 126 lone 7 85 - 7 - 4307=1 HA3 GLY 125 - QG1 VAL 80 lone 6 84 - 8 - 3.0/9490=4, 3.6/7579=2 HA GLU 120 - QD2 LEU 126 poor 6 62 - 10 - 2.9/9438=2, 3.8/9989=1...(4) HB2 SER 44 - QD2 LEU 126 lone 6 81 - 7 - 4307=1 HA LYS 76 - QG2 THR 74 poor 5 50 - 10 - ~6804=3, 3.0/8620=2...(4) HA3 GLY 125 - QG2 THR 74 lone 4 54 - 7 - 3.6/7579=2, 4262/4.0=1 HA LYS 76 - QG1 VAL 80 lone 4 79 - 5 - HA GLU 131 - QG2 THR 74 lone 2 54 - 3 - HA GLU 120 - QG2 THR 74 lone 1 29 - 3 - HA GLU 120 - QG1 VAL 80 lone 0 49 - 1 - HB3 SER 44 - QG1 VAL 80 lone 0 70 - 1 - HB2 SER 44 - QG1 VAL 80 lone 0 66 - 0 - HB3 SER 44 - QG2 THR 74 lone 0 43 - 1 - HB2 SER 44 - QG2 THR 74 lone 0 40 - 1 - Peak 4308 from aliabs.peaks (1.57, 0.81, 22.01 ppm; 2.72 A): 3 out of 36 assignments used, quality = 0.93: * HB2 LEU 126 + QD2 LEU 126 OK 83 100 - 83 - 3.1=65, 1.8/4309=13...(15) HG3 ARG 124 + QD2 LEU 126 OK 45 62 - 72 - ~11071=8, 1.8/11070=8...(34) HB2 LEU 66 + QD2 LEU 126 OK 29 72 - 40 - 1.8/4310=4, ~10786=3...(22) HB2 LEU 126 - QG2 THR 74 OK 27 58 - 47 - 1.8/4309=5, 4280=5...(20) HB2 LEU 126 - QG1 VAL 80 OK 26 89 - 29 - 4280=3, 3.1/4304=3...(11) HG2 ARG 109 - QD2 LEU 126 OK 24 96 - 25 - 4308=2, 4300/2.1=2...(9) HG3 ARG 109 - QD2 LEU 126 OK 21 85 - 25 - 4308=2, 4300/2.1=2...(11) HD2 LYS 85 - QD2 LEU 126 OK 21 100 - 21 - 4308=2, 4300/2.1=2...(6) HD3 LYS 85 - QD2 LEU 126 OK 20 96 - 20 - 4308=2, 4300/2.1=2...(6) HG2 ARG 145 - QD2 LEU 126 OK 13 100 - 13 - 4308=1, 4300/2.1=1 HG3 ARG 145 - QD2 LEU 126 OK 13 100 - 13 - 4308=1, 4300/2.1=1 HG3 ARG 124 - QG1 VAL 80 OK 12 49 - 24 - 3.0/9481=3, 4.9/9490=3...(9) HB2 LEU 66 - QG1 VAL 80 OK 12 58 - 21 - ~9984=2, ~9946=2...(13) HG3 LYS 36 - QG1 VAL 80 lone 5 49 - 10 - 2.9/2421=1 HG2 ARG 109 - QG1 VAL 80 lone 4 82 - 5 - HD2 LYS 85 - QG1 VAL 80 lone 4 88 - 5 - HD3 LYS 85 - QG1 VAL 80 lone 3 82 - 4 - HG3 ARG 124 - QG2 THR 74 poor 3 29 - 12 - 1.8/11070=2, 3.0/9479=1...(7) HG3 ARG 109 - QG1 VAL 80 lone 3 70 - 5 - HG2 ARG 145 - QG1 VAL 80 lone 3 88 - 3 - HG3 ARG 145 - QG1 VAL 80 lone 2 88 - 3 - HG2 ARG 55 - QD2 LEU 126 lone 2 89 - 3 - HG2 ARG 55 - QG1 VAL 80 lone 2 73 - 3 - ~8249=1 HG3 ARG 55 - QD2 LEU 126 lone 2 81 - 3 - HG3 ARG 55 - QG1 VAL 80 lone 2 66 - 3 - ~8249=1 HG3 LYS 36 - QD2 LEU 126 lone 2 62 - 3 - HG2 ARG 109 - QG2 THR 74 lone 1 52 - 3 - HB2 LEU 66 - QG2 THR 74 lone 1 35 - 4 - 4.4/11231=1 HG3 ARG 109 - QG2 THR 74 lone 1 43 - 3 - HD2 LYS 85 - QG2 THR 74 lone 1 57 - 1 - HD3 LYS 85 - QG2 THR 74 lone 1 52 - 1 - HG3 ARG 145 - QG2 THR 74 lone 1 57 - 1 - HG2 ARG 145 - QG2 THR 74 lone 1 57 - 1 - HG2 ARG 55 - QG2 THR 74 lone 0 46 - 1 - HG3 ARG 55 - QG2 THR 74 lone 0 40 - 1 - HG3 LYS 36 - QG2 THR 74 lone 0 29 - 1 - Peak 4309 from aliabs.peaks (1.86, 0.81, 22.01 ppm; 2.80 A): 3 out of 27 assignments used, quality = 0.95: * HB3 LEU 126 + QD2 LEU 126 OK 84 100 - 84 - 3.1=71, 3.0/4272=11...(13) HB3 LYS 76 + QD2 LEU 126 OK 48 100 - 49 - 2264/2.1=6, 4301/2.1=6...(25) HG LEU 69 + QD2 LEU 126 OK 40 100 - 40 - ~11376=7, 4301/2.1=5...(15) HB3 LEU 126 - QG2 THR 74 OK 30 58 - 52 - 4309=8, ~9492=5, ~8605=5...(21) HB3 LEU 126 - QG1 VAL 80 OK 26 89 - 29 - 4309=4, 1.8/4280=3...(12) HB3 LYS 85 - QD2 LEU 126 OK 16 98 - 17 - 4301/2.1=2, 4293/2.1=2...(4) HB3 LYS 76 - QG1 VAL 80 lone 7 88 - 8 - ~8753=2, ~8753=1 HB2 LYS 48 - QD2 LEU 126 lone 6 92 - 6 - 4301/2.1=1 HB3 LYS 76 - QG2 THR 74 lone 5 57 - 9 - 8627/4.3=2, 4.6/8672=2 HB3 GLU 28 - QG1 VAL 80 lone 5 87 - 6 - 4.0/9961=1 HG LEU 69 - QG2 THR 74 lone 5 58 - 9 - ~9928=2, 3.0/8469=1 HB2 LYS 36 - QG1 VAL 80 lone 4 54 - 8 - HG LEU 69 - QG1 VAL 80 lone 4 88 - 5 - 3.0/8470=1 HB3 GLU 28 - QD2 LEU 126 lone 4 100 - 4 - HB3 LYS 48 - QD2 LEU 126 lone 4 68 - 5 - HB3 LYS 85 - QG1 VAL 80 lone 2 84 - 3 - HB2 LYS 36 - QD2 LEU 126 lone 2 68 - 2 - HB3 LYS 85 - QG2 THR 74 lone 1 54 - 2 - HB2 ARG 144 - QD2 LEU 126 lone 1 81 - 1 - HB2 LYS 48 - QG1 VAL 80 lone 1 77 - 1 - HB2 ARG 144 - QG1 VAL 80 lone 1 66 - 1 - HB3 GLU 28 - QG2 THR 74 lone 1 56 - 1 - HB3 LYS 48 - QG1 VAL 80 lone 1 54 - 1 - HB2 LYS 48 - QG2 THR 74 lone 0 48 - 1 - HB2 LYS 36 - QG2 THR 74 lone 0 32 - 1 - HB2 ARG 144 - QG2 THR 74 lone 0 40 - 0 - HB3 LYS 48 - QG2 THR 74 lone 0 32 - 0 - Peak 4310 from aliabs.peaks (1.46, 0.81, 22.01 ppm; 2.76 A): 1 out of 18 assignments used, quality = 1.00: * HG LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 2.1=100 HB3 LEU 66 - QD2 LEU 126 OK 42 99 - 42 - 4302/2.1=5, 4278/3.1=3...(22) HG LEU 126 - QG2 THR 74 OK 34 58 - 58 - ~9492=8, ~8605=7...(22) HB2 LYS 76 - QD2 LEU 126 OK 34 72 - 46 - 1.8/4309=5, 4302/2.1=4...(24) HG LEU 126 - QG1 VAL 80 OK 31 89 - 35 - 2.1/4304=5, 4296=4...(18) HG3 LYS 86 - QD2 LEU 126 OK 29 100 - 29 - 4302/2.1=4, 4310=4...(16) HB3 LEU 66 - QG1 VAL 80 OK 17 86 - 19 - ~9984=2, ~9946=2...(11) HB3 LYS 123 - QD2 LEU 126 OK 12 77 - 15 - 4.2/9476=3, 4310=2...(4) HB3 LYS 114 - QD2 LEU 126 poor 9 89 - 10 - ~10250=3, 4302/2.1=2 HB3 LYS 123 - QG1 VAL 80 poor 7 62 - 11 - 4.2/9476=3, ~8753=2, ~8753=1 HB2 LYS 76 - QG1 VAL 80 lone 5 58 - 8 - ~8753=1, ~8753=1 HG3 LYS 86 - QG1 VAL 80 lone 3 88 - 3 - HB3 LEU 66 - QG2 THR 74 lone 3 55 - 5 - 4.4/11231=1, 3.9/11441=1 HB2 LYS 76 - QG2 THR 74 lone 2 35 - 7 - 4.6/8672=2, 4.0/8620=2 HB3 LYS 123 - QG2 THR 74 lone 1 38 - 4 - HB3 LYS 114 - QG1 VAL 80 lone 1 73 - 1 - HG3 LYS 86 - QG2 THR 74 lone 1 58 - 2 - HB3 LYS 114 - QG2 THR 74 lone 0 46 - 1 - Peak 4311 from aliabs.peaks (0.65, 0.81, 22.01 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * QD1 LEU 126 + QD2 LEU 126 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 - QD2 LEU 126 OK 33 96 - 34 - 4311=6, 4295/2.1=4...(13) QD1 LEU 126 - QG2 THR 74 OK 30 58 - 51 - 9492/2.1=11, 9493/3.2=11...(17) QD1 LEU 126 - QG1 VAL 80 OK 29 89 - 33 - 4304=7, 2.1/4296=3...(15) QD2 LEU 79 - QD2 LEU 126 OK 27 81 - 33 - 2395=3, 4295/2.1=2...(17) QD2 LEU 79 - QG1 VAL 80 OK 19 66 - 29 - 6860/4.0=5, 2395=3...(15) QD1 ILE 56 - QD2 LEU 126 OK 11 100 - 11 - 4295/2.1=1 QD2 LEU 79 - QG2 THR 74 poor 10 40 - 24 - 8605/2.1=3, 2395=3...(11) QD2 LEU 64 - QG1 VAL 80 lone 7 82 - 8 - 6860/4.0=2 QD1 ILE 56 - QG2 THR 74 poor 6 58 - 10 - 8623/4.3=4, 8601/4.0=3...(4) QD2 LEU 64 - QG2 THR 74 poor 6 52 - 11 - 8605/2.1=2, 8603/3.2=1...(4) QD1 ILE 56 - QG1 VAL 80 lone 5 88 - 6 - 8755/2.1=2 Peak 4312 from aliabs.peaks (0.81, 0.81, 22.01 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 126 + QD2 LEU 126 OK 100 100 - 100 QG1 VAL 80 + QG1 VAL 80 OK 89 89 - 100 QG2 THR 74 + QG2 THR 74 OK 50 50 - 100 Peak 4315 from aliabs.peaks (4.72, 4.72, 57.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 127 + HA SER 127 OK 100 100 - 100 Peak 4316 from aliabs.peaks (3.84, 4.72, 57.07 ppm; 5.29 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 127 + HA SER 127 OK 100 100 - 100 - 3.0=100 HA ALA 104 - HA SER 127 OK 19 100 - 19 - 4326/3.0=6, 7596/3.6=3...(6) HA LEU 66 - HA SER 127 OK 15 96 - 16 - 4326/3.0=3, ~7586=3...(7) HA GLN 133 - HA SER 127 OK 13 100 - 13 - 4326/3.0=4, 7596/3.6=2...(4) HD2 PRO 118 - HA SER 127 poor 9 81 - 11 - 4.8/7450=3, 4326/3.0=2 HB2 SER 100 - HA SER 127 lone 7 77 - 10 - 4326/3.0=2, 7596/3.6=2 Peak 4317 from aliabs.peaks (4.00, 4.72, 57.07 ppm; 5.32 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 127 + HA SER 127 OK 100 100 - 100 - 3.0=100 HA GLU 75 - HA SER 127 OK 33 62 - 53 - 4322/3.0=9, ~2208=9...(11) HA MET 113 - HA SER 127 OK 32 100 - 32 - ~10352=16, 4322/3.0=5...(10) HA LEU 69 - HA SER 127 OK 23 77 - 30 - 7597/3.6=5, 4322/3.0=4...(12) HB3 SER 138 - HA SER 127 OK 13 100 - 13 - 4322/3.0=2, ~4322=2...(6) HB2 SER 138 - HA SER 127 OK 13 100 - 13 - 4322/3.0=2, ~4322=2...(6) HA LYS 114 - HA SER 127 lone 9 99 - 9 - 4322/3.0=2 Peak 4320 from aliabs.peaks (4.72, 3.84, 64.70 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 127 + HB2 SER 127 OK 100 100 - 100 - 3.0=100 HA LEU 116 - HB2 SER 127 OK 22 100 - 22 - 4325/1.8=5, 3.9/9375=4...(9) HA THR 51 - HB2 SER 127 OK 17 100 - 17 - 4325/1.8=5, 3.2/8213=3...(9) HA ARG 55 - HB2 SER 127 lone 0 68 - 1 - Peak 4321 from aliabs.peaks (3.84, 3.84, 64.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 127 + HB2 SER 127 OK 100 100 - 100 Peak 4322 from aliabs.peaks (4.00, 3.84, 64.70 ppm; 3.77 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 127 + HB2 SER 127 OK 100 100 - 100 - 1.8=100 HA GLU 75 - HB2 SER 127 OK 33 62 - 54 - 3.0/2208=9, 3.0/2216=9...(14) HA MET 113 - HB2 SER 127 OK 23 100 - 23 - 3.0/10352=9, 4317/3.0=2...(6) HA LEU 69 - HB2 SER 127 OK 18 77 - 23 - 2.9/6684=3, 3.6/6702=3...(8) HB2 SER 138 - HB2 SER 127 OK 11 100 - 11 - 4.0/10474=2 HB3 SER 138 - HB2 SER 127 OK 11 100 - 11 - 4.0/10474=2 HA LYS 114 - HB2 SER 127 lone 7 99 - 7 - Peak 4325 from aliabs.peaks (4.72, 4.00, 64.70 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 127 + HB3 SER 127 OK 100 100 - 100 - 3.0=100 HA THR 51 - HB3 SER 127 OK 20 100 - 19 - 4320/1.8=5, ~8213=3...(10) HA LEU 116 - HB3 SER 127 OK 19 100 - 19 - 4320/1.8=6, ~3863=2...(7) HA ARG 55 - HB3 SER 127 lone 0 68 - 1 - Peak 4326 from aliabs.peaks (3.84, 4.00, 64.70 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 127 + HB3 SER 127 OK 100 100 - 100 - 1.8=100 HA ALA 104 - HB3 SER 127 OK 22 100 - 22 - 3.6/9207=5, ~3405=2...(8) HA GLN 133 - HB3 SER 127 OK 14 100 - 14 - 9617/9521=3, 4316/3.0=1 HA LEU 66 - HB3 SER 127 poor 10 96 - 10 - 4316/3.0=2, 8747/9521=1 HB2 SER 100 - HB3 SER 127 lone 7 77 - 9 - 9165/9521=2 HD2 PRO 118 - HB3 SER 127 lone 6 81 - 7 - Peak 4327 from aliabs.peaks (4.00, 4.00, 64.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 127 + HB3 SER 127 OK 100 100 - 100 Peak 4330 from aliabs.peaks (5.28, 5.28, 50.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HA ASN 128 OK 100 100 - 100 Peak 4331 from aliabs.peaks (2.80, 5.28, 50.43 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 128 + HA ASN 128 OK 100 100 - 100 - 3.0=100 HB3 ASN 139 - HA ASN 128 OK 29 100 - 28 - 4331=8, 10369/3.8=4...(9) HB3 ASP 41 - HA ASN 128 OK 23 98 - 23 - 4331=7, 4343/3.0=3...(9) HB3 ASN 84 - HA ASN 128 lone 1 81 - 1 - Peak 4332 from aliabs.peaks (3.00, 5.28, 50.43 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 128 + HA ASN 128 OK 100 100 - 100 - 3.0=100 HA VAL 82 - HA ASN 128 OK 35 98 - 35 - 4332=10, 4338/3.0=6...(14) Peak 4336 from aliabs.peaks (5.28, 2.80, 39.64 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HB2 ASN 128 OK 100 100 - 100 - 3.0=100 Peak 4337 from aliabs.peaks (2.80, 2.80, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 128 + HB2 ASN 128 OK 100 100 - 100 Peak 4338 from aliabs.peaks (3.00, 2.80, 39.64 ppm; 2.79 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 128 + HB2 ASN 128 OK 100 100 - 100 - 1.8=100 HA VAL 82 - HB2 ASN 128 OK 22 98 - 23 - 4332/3.0=4, 7607/3.4=3...(11) Peak 4342 from aliabs.peaks (5.28, 3.00, 39.64 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 3.0=100 Peak 4343 from aliabs.peaks (2.80, 3.00, 39.64 ppm; 2.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 128 + HB3 ASN 128 OK 100 100 - 100 - 1.8=100 HB3 ASN 139 - HB3 ASN 128 OK 16 100 - 16 - 4331/3.0=3, 10369/4.8=2...(8) HB3 ASP 41 - HB3 ASN 128 OK 13 98 - 13 - 4331/3.0=3, 7612/3.4=2...(6) HB3 ASN 84 - HB3 ASN 128 lone 2 81 - 2 - Peak 4344 from aliabs.peaks (3.00, 3.00, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 128 + HB3 ASN 128 OK 100 100 - 100 Peak 4347 from aliabs.peaks (5.28, 3.92, 50.80 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 128 + HD2 PRO 129 OK 99 100 - 99 - 3.8=85, 4349/1.8=39...(30) Peak 4348 from aliabs.peaks (3.92, 5.28, 50.43 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.97: * HD2 PRO 129 + HA ASN 128 OK 97 100 - 97 - 3.8=70, 1.8/4349=35...(30) HA2 GLY 143 - HA ASN 128 OK 33 100 - 33 - 4350=7, 4364/3.8=7...(12) HA TYR 112 - HA ASN 128 lone 10 99 - 10 - 4364/3.8=3, 4372/4.8=2...(5) HA MET 46 - HA ASN 128 lone 2 72 - 2 - Peak 4349 from aliabs.peaks (5.28, 3.95, 50.80 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 128 + HD3 PRO 129 OK 99 100 - 99 - 3.8=85, 4347/1.8=40...(30) Peak 4350 from aliabs.peaks (3.95, 5.28, 50.43 ppm; 3.32 A): 1 out of 7 assignments used, quality = 0.97: * HD3 PRO 129 + HA ASN 128 OK 97 100 - 97 - 3.8=68, 1.8/4347=35...(29) HA LYS 86 - HA ASN 128 OK 37 100 - 37 - 4348=8, 4357/3.8=6...(13) HA LEU 29 - HA ASN 128 OK 21 100 - 21 - 3.7/10263=9, 4350=5...(4) HA3 GLY 143 - HA ASN 128 OK 13 62 - 21 - 1.8/4348=8, 4871/3.8=3...(9) HA ALA 60 - HA ASN 128 lone 3 81 - 3 - HA PHE 106 - HA ASN 128 lone 2 92 - 2 - HA3 GLY 94 - HA ASN 128 lone 1 81 - 1 - Peak 4351 from aliabs.peaks (4.63, 3.92, 50.80 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 3.6=100 HA GLN 62 + HD2 PRO 129 OK 67 94 - 71 - 4359/1.8=11, 4375/3.0=11...(20) HA LEU 87 - HD2 PRO 129 OK 41 96 - 43 - 4359/1.8=7, ~6993=6...(11) HA ARG 124 - HD2 PRO 129 OK 38 100 - 39 - 4383/3.0=7, 4351=7...(7) HA ASP 32 - HD2 PRO 129 poor 9 72 - 12 - 4375/3.0=2, ~8088=2...(7) Peak 4352 from aliabs.peaks (2.09, 3.92, 50.80 ppm; 4.38 A): 6 out of 11 assignments used, quality = 1.00: * HB2 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 3.0=100 HB2 GLU 131 + HD2 PRO 129 OK 82 100 - 83 - 4.0/10376=15...(38) HD2 ARG 49 + HD2 PRO 129 OK 57 98 - 58 - 3.7/9824=9, 3.0/9825=7...(20) HB3 GLN 25 + HD2 PRO 129 OK 55 72 - 76 - 1.8/4354=12, ~4362=9...(26) HB3 LYS 61 + HD2 PRO 129 OK 48 100 - 48 - 4360/1.8=5, 4400/2.3=5...(20) HB3 GLU 142 + HD2 PRO 129 OK 46 89 - 52 - 9500/4.8=5, 4.7/7870=4...(29) HG3 PRO 33 - HD2 PRO 129 OK 33 100 - 33 - 4384/3.0=3, 4368/3.6=3...(15) HG2 PRO 33 - HD2 PRO 129 OK 28 77 - 37 - 10525/3.6=5, 4384/3.0=2...(17) HB2 LEU 26 - HD2 PRO 129 OK 23 96 - 23 - 4392/2.3=2, 4360/1.8=2...(11) HG2 GLU 122 - HD2 PRO 129 OK 19 96 - 19 - 4360/1.8=2, 4384/3.0=2...(11) HB3 LYS 36 - HD2 PRO 129 OK 10 68 - 15 - 10612/3.8=7 Peak 4353 from aliabs.peaks (2.60, 3.92, 50.80 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 + HD2 PRO 129 OK 56 100 - 56 - 4361/1.8=11, 4393/2.3=11...(10) HB2 ASP 16 - HD2 PRO 129 OK 27 92 - 30 - 4361/1.8=6, 4401/2.3=5...(8) Peak 4354 from aliabs.peaks (2.17, 3.92, 50.80 ppm; 4.02 A): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HD2 PRO 129 OK 82 85 - 96 - 4402/2.3=14, 4362/1.8=14...(54) HB2 GLN 25 + HD2 PRO 129 OK 68 100 - 68 - 4362/1.8=11, 4402/2.3=10...(22) Peak 4355 from aliabs.peaks (2.26, 3.92, 50.80 ppm; 4.01 A): 6 out of 9 assignments used, quality = 1.00: * HG3 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLU 131 + HD2 PRO 129 OK 58 81 - 72 - 5.0/10376=11, 4363/1.8=6...(31) HG2 GLN 62 + HD2 PRO 129 OK 53 100 - 54 - 3.9/4351=5, 2.9/4352=5...(24) HG3 GLN 62 + HD2 PRO 129 OK 53 100 - 53 - 3.9/4351=5, 2.9/4352=5...(24) HB3 MET 113 + HD2 PRO 129 OK 53 92 - 57 - 4363/1.8=5, 4395/2.3=5...(33) HG3 GLU 90 + HD2 PRO 129 OK 50 96 - 51 - 4395/2.3=5, 4363/1.8=5...(25) HG2 GLU 90 - HD2 PRO 129 OK 44 85 - 51 - 4363/1.8=5, 4395/2.3=5...(25) HG2 MET 113 - HD2 PRO 129 OK 39 77 - 51 - 4363/1.8=4, 4395/2.3=4...(30) HG3 GLU 142 - HD2 PRO 129 OK 34 81 - 42 - 10395/4.8=4, 4363/1.8=3...(23) Peak 4356 from aliabs.peaks (3.92, 3.92, 50.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 129 + HD2 PRO 129 OK 100 100 - 100 Peak 4357 from aliabs.peaks (3.95, 3.92, 50.80 ppm; 3.51 A): 2 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HD2 PRO 129 OK 100 100 - 100 - 1.8=100 HA LYS 86 + HD2 PRO 129 OK 80 100 - 80 - 4364/1.8=11, 4397/2.3=10...(33) HA3 GLY 143 - HD2 PRO 129 OK 42 62 - 67 - ~4364=8, 4871=6, ~4396=6...(27) HA LEU 29 - HD2 PRO 129 OK 29 100 - 29 - 4405/2.3=3, 4397/2.3=3...(11) HA ALA 60 - HD2 PRO 129 poor 9 81 - 11 - ~9852=2, 4381/3.0=1...(7) HA PHE 106 - HD2 PRO 129 lone 5 92 - 5 - HA3 GLY 94 - HD2 PRO 129 lone 3 81 - 3 - Peak 4359 from aliabs.peaks (4.63, 3.95, 50.80 ppm; 4.76 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 3.6=100 HA GLN 62 + HD3 PRO 129 OK 65 94 - 69 - 4375/3.0=10, 4391/2.3=10...(21) HA LEU 87 - HD3 PRO 129 OK 42 96 - 44 - 3.6/11698=6, 4351/1.8=6...(12) HA ARG 124 - HD3 PRO 129 OK 37 100 - 37 - 4359=7, 4383/3.0=7...(7) HA ASP 32 - HD3 PRO 129 poor 8 72 - 12 - 4375/3.0=2, ~8088=1...(7) Peak 4360 from aliabs.peaks (2.09, 3.95, 50.80 ppm; 4.28 A): 5 out of 11 assignments used, quality = 1.00: * HB2 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 3.0=100 HB2 GLU 131 + HD3 PRO 129 OK 77 100 - 78 - 11644/4.8=14, 4444/2.3=8...(37) HB3 GLN 25 + HD3 PRO 129 OK 55 72 - 76 - 1.8/4362=12, ~4354=8...(27) HD2 ARG 49 + HD3 PRO 129 OK 52 98 - 53 - ~8194=7, ~9825=6...(19) HB3 LYS 61 + HD3 PRO 129 OK 47 100 - 47 - 3.0/8334=6, 4352/1.8=5...(21) HB3 GLU 142 - HD3 PRO 129 OK 44 89 - 50 - 9500/4.8=5, 4.7/7870=5...(29) HG3 PRO 33 - HD3 PRO 129 OK 32 100 - 32 - 4384/3.0=3, 4368/3.6=3...(15) HG2 PRO 33 - HD3 PRO 129 OK 28 77 - 36 - 10525/3.6=5, 4392/2.3=2...(17) HB2 LEU 26 - HD3 PRO 129 OK 22 96 - 22 - 4392/2.3=2, 4352/1.8=2...(10) HG2 GLU 122 - HD3 PRO 129 OK 17 96 - 18 - 4352/1.8=2, 4400/2.3=2...(10) HB3 LYS 36 - HD3 PRO 129 poor 9 68 - 14 - 10612/3.8=6 Peak 4361 from aliabs.peaks (2.60, 3.95, 50.80 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 3.0=100 HB2 GLU 120 + HD3 PRO 129 OK 58 100 - 58 - 4353/1.8=12, 4393/2.3=12...(10) HB2 ASP 16 - HD3 PRO 129 OK 29 92 - 31 - 4353/1.8=6, 4401/2.3=6...(8) Peak 4362 from aliabs.peaks (2.17, 3.95, 50.80 ppm; 4.04 A): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HD3 PRO 129 OK 82 85 - 97 - 1.8/2682=15, 4402/2.3=14...(50) HB2 GLN 25 + HD3 PRO 129 OK 73 100 - 73 - 4402/2.3=10, 4354/1.8=10...(25) Peak 4363 from aliabs.peaks (2.26, 3.95, 50.80 ppm; 4.05 A): 6 out of 9 assignments used, quality = 1.00: * HG3 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLU 131 + HD3 PRO 129 OK 55 81 - 68 - 4355/1.8=6, 9504/3.8=6...(29) HG2 GLN 62 + HD3 PRO 129 OK 53 100 - 53 - 3.9/4359=5, 2.9/4360=5...(23) HG3 GLN 62 + HD3 PRO 129 OK 52 100 - 53 - 3.9/4359=5, 2.9/4360=5...(23) HB3 MET 113 + HD3 PRO 129 OK 52 92 - 56 - 4355/1.8=6, 4395/2.3=5...(31) HG3 GLU 90 + HD3 PRO 129 OK 50 96 - 52 - 4395/2.3=5, 4355/1.8=5...(25) HG2 GLU 90 - HD3 PRO 129 OK 44 85 - 52 - 4355/1.8=5, 4395/2.3=5...(26) HG2 MET 113 - HD3 PRO 129 OK 39 77 - 51 - 4355/1.8=4, 4395/2.3=4...(29) HG3 GLU 142 - HD3 PRO 129 OK 34 81 - 42 - 10395/4.8=4, 4.9/7870=4...(23) Peak 4364 from aliabs.peaks (3.92, 3.95, 50.80 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HD3 PRO 129 OK 100 100 - 100 - 1.8=100 HA2 GLY 143 + HD3 PRO 129 OK 65 100 - 65 - 4396/2.3=9, 4404/2.3=8...(22) HA TYR 112 - HD3 PRO 129 OK 27 99 - 27 - 4404/2.3=5, 4396/2.3=5...(11) HA MET 46 - HD3 PRO 129 lone 3 72 - 5 - Peak 4365 from aliabs.peaks (3.95, 3.95, 50.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 129 + HD3 PRO 129 OK 100 100 - 100 Peak 4367 from aliabs.peaks (4.63, 4.63, 65.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 129 + HA PRO 129 OK 100 100 - 100 Peak 4368 from aliabs.peaks (2.09, 4.63, 65.40 ppm; 3.69 A): 3 out of 11 assignments used, quality = 1.00: * HB2 PRO 129 + HA PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 131 + HA PRO 129 OK 60 100 - 60 - 4.6/10403=13, 4384/2.3=6...(25) HB3 LYS 61 + HA PRO 129 OK 46 100 - 46 - 1.8/10267=8, 3.0/10269=5...(19) HD2 ARG 49 - HA PRO 129 OK 42 98 - 43 - 2.9/11684=11, 4384/2.3=4...(15) HG3 PRO 33 - HA PRO 129 OK 34 100 - 33 - 1.8/10525=9, 4384/2.3=3...(13) HB3 GLN 25 - HA PRO 129 OK 31 72 - 43 - 1.8/4370=8, ~4386=6...(14) HB3 GLU 142 - HA PRO 129 OK 30 89 - 34 - 3.0/10379=8, 1.8/10378=3...(14) HG2 PRO 33 - HA PRO 129 OK 25 77 - 32 - 10525=8, 4384/2.3=2...(14) HB2 LEU 26 - HA PRO 129 OK 20 96 - 20 - 4384/2.3=2, 4368=2...(10) HG2 GLU 122 - HA PRO 129 OK 20 96 - 20 - 3.0/10267=4, 4368=2...(7) HB3 LYS 36 - HA PRO 129 poor 9 68 - 14 - 10612/4.8=4, 10613/10276=3 Peak 4369 from aliabs.peaks (2.60, 4.63, 65.40 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 129 + HA PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 120 - HA PRO 129 OK 39 100 - 39 - 4377/2.3=9, 4353/3.6=6...(10) HB2 ASP 16 - HA PRO 129 OK 17 92 - 18 - 4377/2.3=4, 4353/3.6=3...(7) Peak 4370 from aliabs.peaks (2.17, 4.63, 65.40 ppm; 3.95 A): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.8=100 HB3 LYS 86 + HA PRO 129 OK 61 85 - 71 - 4378/2.3=14, 4370=13...(16) HB2 GLN 25 + HA PRO 129 OK 50 100 - 50 - 4386/2.3=10, 4378/2.3=10...(12) Peak 4371 from aliabs.peaks (2.26, 4.63, 65.40 ppm; 4.12 A): 4 out of 9 assignments used, quality = 1.00: * HG3 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.8=100 HG2 GLN 62 + HA PRO 129 OK 47 100 - 47 - 2.9/1765=7, 1773=5...(18) HG3 GLN 62 + HA PRO 129 OK 47 100 - 47 - 2.9/1765=7, 1773=5...(17) HG2 GLU 131 + HA PRO 129 OK 47 81 - 57 - 4371=7, 4.2/10402=7...(19) HG3 GLU 90 - HA PRO 129 OK 43 96 - 44 - 4371=6, 4387/2.3=6...(15) HB3 MET 113 - HA PRO 129 OK 40 92 - 44 - 4371=6, 4387/2.3=6...(16) HG2 GLU 90 - HA PRO 129 OK 35 85 - 41 - 4371=5, 1.8/4371=5...(14) HG3 GLU 142 - HA PRO 129 OK 31 81 - 38 - 4.0/10379=8, 4371=5...(15) HG2 MET 113 - HA PRO 129 OK 30 77 - 39 - 9576/10270=5, 4387/2.3=4...(16) Peak 4372 from aliabs.peaks (3.92, 4.63, 65.40 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.6=100 HA2 GLY 143 + HA PRO 129 OK 69 100 - 69 - 4380/2.3=14, 4388/2.3=14...(13) HA TYR 112 - HA PRO 129 OK 33 99 - 33 - 4388/2.3=7, 4380/2.3=7...(8) HA MET 46 - HA PRO 129 lone 6 72 - 8 - 11504/2.3=2 Peak 4373 from aliabs.peaks (3.95, 4.63, 65.40 ppm; 4.32 A): 2 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HA PRO 129 OK 100 100 - 100 - 3.6=100 HA LYS 86 + HA PRO 129 OK 72 100 - 73 - 4381/2.3=11, 4389/2.3=10...(16) HA3 GLY 143 - HA PRO 129 OK 36 62 - 57 - 1.8/4372=11, ~4380=8...(15) HA LEU 29 - HA PRO 129 OK 25 100 - 25 - 4389/2.3=5, 4381/2.3=4...(8) HA ALA 60 - HA PRO 129 OK 12 81 - 14 - 4381/2.3=2, 4389/2.3=2...(7) HA PHE 106 - HA PRO 129 lone 5 92 - 5 - HA3 GLY 94 - HA PRO 129 lone 4 81 - 4 - Peak 4375 from aliabs.peaks (4.63, 2.09, 31.98 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 2.3=100 HA GLN 62 + HB2 PRO 129 OK 55 94 - 59 - 4383/1.8=8, 1751=8...(25) HA ARG 124 - HB2 PRO 129 OK 37 100 - 37 - 4375=7, 4383/1.8=6...(12) HA LEU 87 - HB2 PRO 129 OK 25 96 - 26 - 4383/1.8=4, 4391/2.3=3...(9) HA ASP 32 - HB2 PRO 129 poor 10 72 - 13 - 3.8/430=2, 3.8/438=2...(5) Peak 4376 from aliabs.peaks (2.09, 2.09, 31.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 129 + HB2 PRO 129 OK 100 100 - 100 Peak 4377 from aliabs.peaks (2.60, 2.09, 31.98 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 1.8=100 HB2 GLU 120 - HB2 PRO 129 OK 36 100 - 36 - 4369/2.3=7, 4393/2.3=7...(10) HB2 ASP 16 - HB2 PRO 129 OK 16 92 - 17 - 4401/2.3=3, 4393/2.3=3...(7) Peak 4378 from aliabs.peaks (2.17, 2.09, 31.98 ppm; 3.41 A): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HB2 PRO 129 OK 72 85 - 84 - 4386/1.8=12, 4402/2.3=12...(46) HB2 GLN 25 + HB2 PRO 129 OK 59 100 - 59 - 4386/1.8=9, 4402/2.3=8...(25) Peak 4379 from aliabs.peaks (2.26, 2.09, 31.98 ppm; 3.52 A): 4 out of 9 assignments used, quality = 1.00: * HG3 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLN 62 + HB2 PRO 129 OK 54 100 - 54 - 2.9/1759=5, 3.9/4375=5...(30) HG3 GLN 62 + HB2 PRO 129 OK 54 100 - 54 - 2.9/1759=5, 3.9/4375=5...(30) HG2 GLU 131 + HB2 PRO 129 OK 49 81 - 60 - 1.8/4463=6, 4387/1.8=5...(31) HB3 MET 113 - HB2 PRO 129 OK 43 92 - 47 - 4387/1.8=5, 4395/2.3=5...(26) HG3 GLU 90 - HB2 PRO 129 OK 43 96 - 45 - 4387/1.8=5, 4395/2.3=5...(23) HG2 GLU 90 - HB2 PRO 129 OK 38 85 - 44 - 4387/1.8=5, 4395/2.3=4...(23) HG2 MET 113 - HB2 PRO 129 OK 33 77 - 43 - 4387/1.8=4, 4395/2.3=3...(27) HG3 GLU 142 - HB2 PRO 129 OK 29 81 - 35 - 1.8/4855=4, 4387/1.8=3...(19) Peak 4380 from aliabs.peaks (3.92, 2.09, 31.98 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 3.0=100 HA2 GLY 143 + HB2 PRO 129 OK 69 100 - 69 - 4396/2.3=12, 4364/3.0=12...(17) HA TYR 112 - HB2 PRO 129 OK 36 99 - 36 - 4404/2.3=6, 4388/1.8=6...(10) HA MET 46 - HB2 PRO 129 lone 6 72 - 9 - 11504=1 Peak 4381 from aliabs.peaks (3.95, 2.09, 31.98 ppm; 4.19 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HB2 PRO 129 OK 100 100 - 100 - 3.0=100 HA LYS 86 + HB2 PRO 129 OK 86 100 - 86 - 3.0/4378=13, 4397/2.3=13...(27) HA3 GLY 143 + HB2 PRO 129 OK 47 62 - 75 - ~4388=9, ~4396=8...(24) HA LEU 29 - HB2 PRO 129 OK 34 100 - 34 - 4389/1.8=5, 4405/2.3=4...(11) HA ALA 60 - HB2 PRO 129 OK 18 81 - 22 - 4.8/1652=3, ~9852=3...(11) HA PHE 106 - HB2 PRO 129 lone 7 92 - 8 - HA3 GLY 94 - HB2 PRO 129 lone 4 81 - 5 - Peak 4383 from aliabs.peaks (4.63, 2.60, 31.98 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 2.3=100 HA GLN 62 + HB3 PRO 129 OK 49 94 - 52 - 4375/1.8=9, 4391/2.3=6...(23) HA ARG 124 - HB3 PRO 129 OK 37 100 - 37 - 4383=7, 4375/1.8=6...(13) HA LEU 87 - HB3 PRO 129 OK 24 96 - 25 - 4375/1.8=4, 4391/2.3=3...(10) HA ASP 32 - HB3 PRO 129 lone 6 72 - 9 - 4375/1.8=2, ~8088=1 Peak 4384 from aliabs.peaks (2.09, 2.60, 31.98 ppm; 3.22 A): 2 out of 11 assignments used, quality = 1.00: * HB2 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 1.8=100 HB2 GLU 131 + HB3 PRO 129 OK 58 100 - 59 - 4444/2.3=6, 4384=6...(32) HB3 GLN 25 - HB3 PRO 129 OK 40 72 - 56 - 1.8/4386=8, ~4378=5...(27) HD2 ARG 49 - HB3 PRO 129 OK 39 98 - 40 - ~11684=6, 4384=5...(17) HB3 LYS 61 - HB3 PRO 129 OK 36 100 - 37 - 4384=5, ~10267=4...(20) HB3 GLU 142 - HB3 PRO 129 OK 30 89 - 34 - ~10379=4, 4850/2.3=3...(16) HG3 PRO 33 - HB3 PRO 129 OK 27 100 - 26 - ~10525=4, 4384=2...(11) HG2 PRO 33 - HB3 PRO 129 OK 22 77 - 28 - 10525/2.3=4, 1.8/4384=2...(9) HB2 LEU 26 - HB3 PRO 129 OK 16 96 - 16 - 4384=2, 4392/2.3=2...(8) HG2 GLU 122 - HB3 PRO 129 OK 14 96 - 15 - 4384=2, ~10267=1...(7) HB3 LYS 36 - HB3 PRO 129 lone 5 68 - 7 - 10613/9530=2 Peak 4385 from aliabs.peaks (2.60, 2.60, 31.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 129 + HB3 PRO 129 OK 100 100 - 100 Peak 4386 from aliabs.peaks (2.17, 2.60, 31.98 ppm; 3.61 A): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 2.3=100 HB3 LYS 86 + HB3 PRO 129 OK 76 85 - 90 - 4386=16, 4378/1.8=13...(46) HB2 GLN 25 + HB3 PRO 129 OK 65 100 - 65 - 4378/1.8=10, 4402/2.3=9...(24) Peak 4387 from aliabs.peaks (2.26, 2.60, 31.98 ppm; 3.66 A): 6 out of 9 assignments used, quality = 1.00: * HG3 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 2.3=100 HG2 GLN 62 + HB3 PRO 129 OK 53 100 - 54 - 3.9/4383=5, 2.9/4384=5...(28) HG3 GLN 62 + HB3 PRO 129 OK 53 100 - 54 - 3.9/4383=5, 2.9/4384=5...(28) HG3 GLU 90 + HB3 PRO 129 OK 51 96 - 53 - 4387=7, 4379/1.8=5...(30) HB3 MET 113 + HB3 PRO 129 OK 51 92 - 55 - 4387=7, 4379/1.8=5...(31) HG2 GLU 131 + HB3 PRO 129 OK 50 81 - 62 - 4387=7, 4379/1.8=6...(30) HG2 GLU 90 - HB3 PRO 129 OK 45 85 - 52 - 4387=6, 1.8/4387=6...(29) HG2 MET 113 - HB3 PRO 129 OK 40 77 - 51 - 4387=5, 3.0/4387=4...(31) HG3 GLU 142 - HB3 PRO 129 OK 29 81 - 36 - 4387=4, 4379/1.8=3...(19) Peak 4388 from aliabs.peaks (3.92, 2.60, 31.98 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 3.0=100 HA2 GLY 143 + HB3 PRO 129 OK 77 100 - 77 - 4380/1.8=14, 4396/2.3=13...(19) HA TYR 112 - HB3 PRO 129 OK 40 99 - 40 - 4380/1.8=7, 4404/2.3=7...(12) HA MET 46 - HB3 PRO 129 lone 5 72 - 7 - 11504/1.8=2 Peak 4389 from aliabs.peaks (3.95, 2.60, 31.98 ppm; 4.30 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HB3 PRO 129 OK 100 100 - 100 - 3.0=100 HA LYS 86 + HB3 PRO 129 OK 89 100 - 89 - 3.0/4386=14, 4397/2.3=13...(29) HA3 GLY 143 + HB3 PRO 129 OK 49 62 - 79 - 1.8/4388=13, ~4380=9...(25) HA LEU 29 - HB3 PRO 129 OK 39 100 - 39 - 4389=6, 4381/1.8=5...(12) HA ALA 60 - HB3 PRO 129 OK 15 81 - 18 - ~9852=4, 4381/1.8=2...(10) HA PHE 106 - HB3 PRO 129 lone 7 92 - 7 - 4381/1.8=1 HA3 GLY 94 - HB3 PRO 129 lone 5 81 - 6 - Peak 4391 from aliabs.peaks (4.63, 2.17, 27.79 ppm; 4.52 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 3.8=100 HA GLN 62 + HG2 PRO 129 OK 63 94 - 67 - 4375/2.3=11, 4383/2.3=10...(20) HA ARG 124 - HG2 PRO 129 OK 37 100 - 37 - 4383/2.3=7, 4375/2.3=7...(8) HA LEU 87 - HG2 PRO 129 OK 36 96 - 37 - 3.0/6993=8, 4399/1.8=6...(11) HA ASP 32 - HG2 PRO 129 poor 9 72 - 12 - 4375/2.3=2, ~8088=1...(7) Peak 4392 from aliabs.peaks (2.09, 2.17, 27.79 ppm; 3.01 A): 2 out of 11 assignments used, quality = 1.00: * HB2 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 131 + HG2 PRO 129 OK 46 100 - 46 - 4444/1.8=7, 4384/2.3=4...(24) HB3 GLN 25 - HG2 PRO 129 OK 40 72 - 55 - 2.9/228=6, 212=6...(26) HD2 ARG 49 - HG2 PRO 129 OK 29 98 - 30 - 1.8/11512=4, 4384/2.3=3...(14) HB3 LYS 61 - HG2 PRO 129 OK 24 100 - 24 - 4400/1.8=3, 4384/2.3=3...(12) HB3 GLU 142 - HG2 PRO 129 OK 22 89 - 25 - 4850/1.8=3, 4384/2.3=2...(10) HG3 PRO 33 - HG2 PRO 129 OK 17 100 - 17 - 4384/2.3=2, 4400/1.8=2...(5) HG2 PRO 33 - HG2 PRO 129 OK 15 77 - 20 - 10525/3.8=2, 4384/2.3=1...(4) HB2 LEU 26 - HG2 PRO 129 OK 13 96 - 14 - 3.9/10916=3, 4400/1.8=1...(6) HG2 GLU 122 - HG2 PRO 129 lone 9 96 - 9 - 4384/2.3=1, 4400/1.8=1 HB3 LYS 36 - HG2 PRO 129 lone 3 68 - 4 - Peak 4393 from aliabs.peaks (2.60, 2.17, 27.79 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 120 + HG2 PRO 129 OK 49 100 - 49 - 4401/1.8=11, 4377/2.3=10...(10) HB2 ASP 16 - HG2 PRO 129 OK 23 92 - 24 - 4401/1.8=5, 4353/2.3=5...(7) Peak 4394 from aliabs.peaks (2.17, 2.17, 27.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 129 + HG2 PRO 129 OK 100 100 - 100 Peak 4395 from aliabs.peaks (2.26, 2.17, 27.79 ppm; 3.38 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 1.8=100 HG2 GLU 131 - HG2 PRO 129 OK 43 81 - 52 - 4379/2.3=5, 2.9/4392=4...(26) HG2 GLN 62 - HG2 PRO 129 OK 42 100 - 42 - 2.9/4392=4, 3.9/4391=4...(22) HG3 GLN 62 - HG2 PRO 129 OK 41 100 - 42 - 2.9/4392=4, 3.9/4391=4...(22) HB3 MET 113 - HG2 PRO 129 OK 41 92 - 44 - 3702/1.8=5, 4387/2.3=4...(24) HG3 GLU 90 - HG2 PRO 129 OK 40 96 - 41 - 2942/1.8=4, 4387/2.3=4...(24) HG2 GLU 90 - HG2 PRO 129 OK 35 85 - 40 - 4387/2.3=4, 4379/2.3=4...(24) HG2 MET 113 - HG2 PRO 129 OK 31 77 - 41 - 4387/2.3=3, 4379/2.3=3...(28) HG3 GLU 142 - HG2 PRO 129 OK 22 81 - 28 - 4379/2.3=3, 4387/2.3=2...(15) Peak 4396 from aliabs.peaks (3.92, 2.17, 27.79 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HA2 GLY 143 + HG2 PRO 129 OK 60 100 - 60 - 4364/2.3=12, 4404/1.8=10...(15) HA TYR 112 - HG2 PRO 129 OK 29 99 - 29 - 4404/1.8=6, 4364/2.3=5...(10) HA MET 46 - HG2 PRO 129 lone 4 72 - 5 - Peak 4397 from aliabs.peaks (3.95, 2.17, 27.79 ppm; 3.60 A): 2 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HG2 PRO 129 OK 100 100 - 100 - 2.3=100 HA LYS 86 + HG2 PRO 129 OK 83 100 - 83 - 2673=14, 4357/2.3=10...(30) HA3 GLY 143 - HG2 PRO 129 OK 39 62 - 62 - ~4364=7, ~4404=7...(21) HA LEU 29 - HG2 PRO 129 OK 28 100 - 28 - 4405/1.8=4, 4357/2.3=4...(11) HA ALA 60 - HG2 PRO 129 OK 10 81 - 12 - ~9852=3, 4381/2.3=2...(5) HA PHE 106 - HG2 PRO 129 lone 5 92 - 5 - HA3 GLY 94 - HG2 PRO 129 lone 4 81 - 4 - Peak 4399 from aliabs.peaks (4.63, 2.26, 27.79 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 3.8=100 HA GLN 62 + HG3 PRO 129 OK 60 94 - 64 - 4375/2.3=11, 4391/1.8=10...(16) HA ARG 124 - HG3 PRO 129 OK 40 100 - 40 - 4383/2.3=8, 4375/2.3=7...(8) HA LEU 87 - HG3 PRO 129 OK 36 96 - 37 - ~6993=6, 4391/1.8=6...(9) HA ASP 32 - HG3 PRO 129 poor 8 72 - 12 - 4375/2.3=2, ~8088=2...(7) Peak 4400 from aliabs.peaks (2.09, 2.26, 27.79 ppm; 3.50 A): 3 out of 11 assignments used, quality = 1.00: * HB2 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 131 + HG3 PRO 129 OK 60 100 - 60 - 4444=6, 4392/1.8=6...(32) HB3 GLN 25 + HG3 PRO 129 OK 45 72 - 63 - 1.8/4402=10, 212/1.8=7...(25) HD2 ARG 49 - HG3 PRO 129 OK 37 98 - 38 - 4392/1.8=5, 4384/2.3=4...(15) HB3 LYS 61 - HG3 PRO 129 OK 35 100 - 35 - 4384/2.3=4, 4392/1.8=4...(17) HB3 GLU 142 - HG3 PRO 129 OK 32 89 - 36 - 4392/1.8=3, 1.8/4843=3...(18) HG3 PRO 33 - HG3 PRO 129 OK 22 100 - 22 - 4384/2.3=2, 4392/1.8=2...(9) HG2 PRO 33 - HG3 PRO 129 OK 20 77 - 26 - 10525/3.8=3, 4392/1.8=2...(13) HB2 LEU 26 - HG3 PRO 129 OK 16 96 - 16 - 4392/1.8=2, 4384/2.3=2...(8) HG2 GLU 122 - HG3 PRO 129 OK 13 96 - 13 - 4384/2.3=2, 4392/1.8=1...(7) HB3 LYS 36 - HG3 PRO 129 lone 6 68 - 9 - 10613/9532=3, 10612/9528=2 Peak 4401 from aliabs.peaks (2.60, 2.26, 27.79 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HB2 GLU 120 + HG3 PRO 129 OK 50 100 - 51 - 4393/1.8=11, 4377/2.3=10...(10) HB2 ASP 16 - HG3 PRO 129 OK 24 92 - 26 - 4393/1.8=5, 4353/2.3=5...(8) Peak 4402 from aliabs.peaks (2.17, 2.26, 27.79 ppm; 3.32 A): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 1.8=100 HB3 LYS 86 + HG3 PRO 129 OK 71 85 - 84 - 4378/2.3=10, 4386/2.3=10...(42) HB2 GLN 25 + HG3 PRO 129 OK 57 100 - 57 - 4378/2.3=8, 4386/2.3=7...(21) Peak 4403 from aliabs.peaks (2.26, 2.26, 27.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 129 + HG3 PRO 129 OK 100 100 - 100 Peak 4404 from aliabs.peaks (3.92, 2.26, 27.79 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HA2 GLY 143 + HG3 PRO 129 OK 66 100 - 66 - 4364/2.3=13, 4396/1.8=13...(15) HA TYR 112 - HG3 PRO 129 OK 36 99 - 36 - 4396/1.8=6, 4380/2.3=5...(12) HA MET 46 - HG3 PRO 129 lone 5 72 - 6 - 11504/2.3=1 Peak 4405 from aliabs.peaks (3.95, 2.26, 27.79 ppm; 3.91 A): 2 out of 7 assignments used, quality = 1.00: * HD3 PRO 129 + HG3 PRO 129 OK 100 100 - 100 - 2.3=100 HA LYS 86 + HG3 PRO 129 OK 82 100 - 82 - 4397/1.8=13, 3.0/4402=13...(26) HA3 GLY 143 - HG3 PRO 129 OK 43 62 - 69 - ~4396=9, ~4364=8...(21) HA LEU 29 - HG3 PRO 129 OK 32 100 - 32 - 4397/1.8=4, 4357/2.3=4...(11) HA ALA 60 - HG3 PRO 129 OK 13 81 - 15 - 2.1/9852=4, 4381/2.3=2...(7) HA PHE 106 - HG3 PRO 129 lone 6 92 - 6 - 3.0/9527=1 HA3 GLY 94 - HG3 PRO 129 lone 4 81 - 4 - Peak 4408 from aliabs.peaks (4.57, 4.57, 55.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 130 + HA ASN 130 OK 100 100 - 100 Peak 4409 from aliabs.peaks (2.82, 4.57, 55.90 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 130 + HA ASN 130 OK 100 100 - 100 - 3.0=100 HE3 LYS 114 - HA ASN 130 OK 14 100 - 14 - 4426/3.0=2, 7624/2.9=2...(5) HB2 ASN 139 - HA ASN 130 lone 8 98 - 8 - 7624/2.9=2, 4426/3.0=1 HB2 ASP 40 - HA ASN 130 lone 6 99 - 6 - 4426/3.0=1, 7624/2.9=1 Peak 4410 from aliabs.peaks (2.94, 4.57, 55.90 ppm; 2.75 A): 1 out of 10 assignments used, quality = 0.91: * HB3 ASN 130 + HA ASN 130 OK 91 100 - 91 - 3.0=74, 1.8/4418=26...(12) HB2 TYR 119 - HA ASN 130 lone 8 100 - 8 - 3.9/10287=6 HE3 LYS 93 - HA ASN 130 lone 4 99 - 4 - HE3 LYS 85 - HA ASN 130 lone 3 92 - 3 - HE2 LYS 93 - HA ASN 130 lone 2 68 - 3 - HE2 LYS 85 - HA ASN 130 lone 2 72 - 3 - HB3 HIS 14 - HA ASN 130 lone 2 68 - 2 - HE3 LYS 48 - HA ASN 130 lone 1 81 - 2 - HE2 LYS 48 - HA ASN 130 lone 1 62 - 1 - HB2 TYR 115 - HA ASN 130 lone 1 62 - 1 - Peak 4415 from aliabs.peaks (2.14, 4.57, 55.90 ppm; 3.62 A): 4 out of 8 assignments used, quality = 0.90: * HB2 GLN 133 + HA ASN 130 OK 64 100 - 64 - 4529=23, 4.0/7674=18...(10) HB3 GLN 133 + HA ASN 130 OK 64 100 - 64 - 4529=23, 4.0/7674=18...(10) HB VAL 53 + HA ASN 130 OK 14 72 - 19 - 9541/3.0=4, 3.9/4407=4...(7) HG3 PRO 118 + HA ASN 130 OK 13 100 - 13 - 2.3/10285=3, ~9541=2...(6) HG LEU 29 - HA ASN 130 lone 2 68 - 3 - 10833/7710=1, 7686/7674=1 HG2 GLU 81 - HA ASN 130 lone 1 85 - 2 - HB2 GLU 75 - HA ASN 130 lone 1 72 - 1 - HG2 GLN 111 - HA ASN 130 lone 1 62 - 1 - Peak 4416 from aliabs.peaks (2.14, 4.57, 55.90 ppm; 3.62 A): 4 out of 7 assignments used, quality = 0.90: * HB3 GLN 133 + HA ASN 130 OK 64 100 - 64 - 4539=23, 4.0/7674=18...(10) HB2 GLN 133 + HA ASN 130 OK 64 100 - 64 - 4529=23, 4.0/7674=18...(10) HG3 PRO 118 + HA ASN 130 OK 13 100 - 13 - 2.3/10285=3, 7685/7674=2...(6) HB VAL 53 + HA ASN 130 OK 13 68 - 19 - 9541/3.0=4, 3.9/4407=4...(7) HG LEU 29 - HA ASN 130 lone 2 72 - 3 - 10833/7710=1, 7686/7674=1 HG2 GLU 81 - HA ASN 130 lone 2 89 - 2 - HB2 GLU 75 - HA ASN 130 lone 1 68 - 1 - Peak 4418 from aliabs.peaks (4.57, 2.82, 37.39 ppm; 3.09 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 130 + HB2 ASN 130 OK 100 100 - 100 - 3.0=100 HA MET 59 - HB2 ASN 130 OK 13 98 - 13 - 4425/1.8=4, 7632/3.4=2...(5) HA LEU 97 - HB2 ASN 130 lone 8 85 - 9 - 2.9/4421=2, 4425/1.8=2...(4) HA HIS 10 - HB2 ASN 130 lone 3 72 - 4 - 7616/4.0=1 Peak 4419 from aliabs.peaks (2.82, 2.82, 37.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 130 + HB2 ASN 130 OK 100 100 - 100 Peak 4420 from aliabs.peaks (2.94, 2.82, 37.39 ppm; 2.56 A): 1 out of 10 assignments used, quality = 1.00: * HB3 ASN 130 + HB2 ASN 130 OK 100 100 - 100 - 1.8=100 HB2 TYR 119 - HB2 ASN 130 lone 4 100 - 4 - 4410/3.0=1 HE3 LYS 93 - HB2 ASN 130 lone 4 99 - 4 - HE3 LYS 85 - HB2 ASN 130 lone 3 92 - 3 - HE2 LYS 93 - HB2 ASN 130 lone 2 68 - 3 - HE2 LYS 85 - HB2 ASN 130 lone 2 72 - 3 - HB3 HIS 14 - HB2 ASN 130 lone 2 68 - 2 - HE3 LYS 48 - HB2 ASN 130 lone 1 81 - 1 - HB2 TYR 115 - HB2 ASN 130 lone 1 62 - 1 - HE2 LYS 48 - HB2 ASN 130 lone 1 62 - 1 - Peak 4425 from aliabs.peaks (4.57, 2.94, 37.39 ppm; 3.19 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 130 + HB3 ASN 130 OK 100 100 - 100 - 3.0=100 HA MET 59 - HB3 ASN 130 OK 13 98 - 13 - 4418/1.8=4, 7632/3.4=2...(5) HA LEU 97 - HB3 ASN 130 lone 8 85 - 10 - 2.9/4428=2, 4418/1.8=2...(4) HA HIS 10 - HB3 ASN 130 lone 3 72 - 4 - 7616/4.0=2 Peak 4426 from aliabs.peaks (2.82, 2.94, 37.39 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 130 + HB3 ASN 130 OK 100 100 - 100 - 1.8=100 HE3 LYS 114 - HB3 ASN 130 OK 10 100 - 10 - 4409/3.0=2, 7639/3.4=1...(4) HB2 ASN 139 - HB3 ASN 130 lone 6 98 - 6 - 4409/3.0=1 HB2 ASP 40 - HB3 ASN 130 lone 5 99 - 4 - Peak 4427 from aliabs.peaks (2.94, 2.94, 37.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 130 + HB3 ASN 130 OK 100 100 - 100 Peak 4432 from aliabs.peaks (4.14, 4.14, 58.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 131 + HA GLU 131 OK 100 100 - 100 Peak 4433 from aliabs.peaks (2.09, 4.14, 58.26 ppm; 3.70 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLU 131 + HA GLU 131 OK 100 100 - 100 - 3.0=100 HB2 PRO 129 + HA GLU 131 OK 61 100 - 61 - 4.1/9546=9, 2.3/10402=8...(27) HB3 GLU 142 + HA GLU 131 OK 51 85 - 60 - 3.0/4435=8, 4.0/4431=6...(29) HB3 LYS 61 - HA GLU 131 OK 36 100 - 36 - 4441=6, 1681/3.6=5...(13) HG3 PRO 33 - HA GLU 131 OK 31 100 - 31 - 2.3/4436=4, 4449/3.0=3...(11) HG2 PRO 33 - HA GLU 131 OK 20 72 - 28 - 2.3/4436=4, 4449/3.0=2...(10) HG2 GLU 122 - HA GLU 131 OK 16 94 - 17 - ~9550=3, ~9549=3...(5) HB2 LEU 26 - HA GLU 131 OK 10 98 - 11 - 4449/3.0=1 HD2 ARG 49 - HA GLU 131 lone 4 99 - 4 - HB3 LYS 36 - HA GLU 131 lone 3 62 - 5 - HB3 GLN 25 - HA GLU 131 lone 3 68 - 5 - Peak 4434 from aliabs.peaks (2.47, 4.14, 58.26 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 131 + HA GLU 131 OK 100 100 - 100 - 3.0=100 HG3 GLU 131 + HA GLU 131 OK 61 68 - 90 - 4.2=66, 1.8/4455=19...(21) HB2 ASP 65 - HA GLU 131 lone 6 92 - 7 - ~1868=1, ~1858=1 Peak 4435 from aliabs.peaks (2.27, 4.14, 58.26 ppm; 3.48 A): 3 out of 10 assignments used, quality = 0.97: * HG2 GLU 131 + HA GLU 131 OK 88 100 - 88 - 4.2=59, 1.8/4462=21...(14) HG3 GLU 142 + HA GLU 131 OK 53 100 - 53 - 4455=9, 4444/3.0=8...(19) HG3 PRO 129 + HA GLU 131 OK 41 81 - 50 - ~10376=7, 3.8/10402=7...(21) HB3 MET 113 - HA GLU 131 OK 12 100 - 12 - 7663/3.6=2, 4451/3.0=2...(5) HG2 GLU 90 - HA GLU 131 lone 7 100 - 7 - 7663/3.6=2, 7652/3.0=1...(4) HG3 GLN 62 - HA GLU 131 lone 5 68 - 7 - 4.9/4437=2, 1780/3.6=1 HG2 GLN 62 - HA GLU 131 lone 5 72 - 7 - 4.9/4437=2, 1780/3.6=1 HG2 GLU 120 - HA GLU 131 lone 3 89 - 4 - HG3 GLU 75 - HA GLU 131 lone 3 62 - 4 - HG3 GLU 120 - HA GLU 131 lone 2 62 - 3 - Peak 4436 from aliabs.peaks (2.46, 4.14, 58.26 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.96: * HG3 GLU 131 + HA GLU 131 OK 88 100 - 88 - 4.2=56, 1.8/4455=17...(23) HB3 GLU 131 + HA GLU 131 OK 68 68 - 100 - 3.0=100 HG3 GLU 28 - HA GLU 131 OK 19 100 - 19 - 4443/3.0=3, ~330=3...(9) Peak 4439 from aliabs.peaks (1.48, 4.14, 58.26 ppm; 3.36 A): 4 out of 5 assignments used, quality = 0.86: * QB ALA 134 + HA GLU 131 OK 73 100 - 73 - 4574=35, 2.9/4438=18...(9) HB3 LEU 29 + HA GLU 131 OK 26 100 - 26 - 10531/3.0=5, 10425/3.6=4...(11) HB2 LYS 76 + HA GLU 131 OK 17 92 - 19 - 10406/4.2=2, 9561/4.2=2...(7) HG13 ILE 101 + HA GLU 131 OK 17 89 - 19 - 2.1/9555=3, 3.2/9555=3...(9) HD3 LYS 114 - HA GLU 131 lone 5 92 - 6 - 10425/3.6=1, ~7645=1 Peak 4441 from aliabs.peaks (4.14, 2.09, 30.00 ppm; 4.20 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 3.0=100 HA GLU 131 - HB3 LYS 61 OK 38 90 - 42 - 3.6/1681=6, 4433=5...(16) HA LEU 126 - HB2 GLU 131 OK 37 98 - 38 - 4448/1.8=9, 4462/2.9=7...(12) HA LYS 76 - HB2 GLU 131 OK 25 77 - 32 - 4448/1.8=7, 4462/2.9=6...(11) HA3 GLY 125 - HB2 GLU 131 lone 8 85 - 9 - 4448/1.8=2, 4462/2.9=1 HA LEU 126 - HB3 LYS 61 lone 3 86 - 4 - HA LYS 76 - HB3 LYS 61 lone 1 64 - 2 - HB3 SER 44 - HB2 GLU 131 lone 1 62 - 2 - HA3 GLY 125 - HB3 LYS 61 lone 1 72 - 1 - HB3 SER 44 - HB3 LYS 61 lone 0 51 - 1 - Peak 4442 from aliabs.peaks (2.09, 2.09, 30.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 131 + HB2 GLU 131 OK 100 100 - 100 HB3 LYS 61 + HB3 LYS 61 OK 90 90 - 100 Peak 4443 from aliabs.peaks (2.47, 2.09, 30.00 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 1.8=100 HG3 GLU 131 + HB2 GLU 131 OK 68 68 - 100 - 2.9=100 HB3 GLU 131 - HB3 LYS 61 OK 32 90 - 35 - 3.0/4441=4, 4.6/1681=4...(15) HG3 GLU 131 - HB3 LYS 61 OK 14 55 - 25 - 4.2/4441=3, 1.8/4444=3...(10) HB2 ASP 65 - HB2 GLU 131 lone 8 92 - 9 - ~1868=2, ~1858=2...(4) HB2 ASP 65 - HB3 LYS 61 lone 1 79 - 2 - Peak 4444 from aliabs.peaks (2.27, 2.09, 30.00 ppm; 3.49 A): 3 out of 20 assignments used, quality = 1.00: * HG2 GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 2.9=100 HG3 GLU 142 + HB2 GLU 131 OK 65 100 - 66 - 4451/1.8=9, 4465/2.9=8...(29) HG3 PRO 129 + HB2 GLU 131 OK 50 81 - 62 - 4451/1.8=7, 1.8/4392=6...(32) HG2 GLU 131 - HB3 LYS 61 OK 25 90 - 27 - 2.9/4443=4, 1.8/4445=4...(10) HG3 PRO 129 - HB3 LYS 61 OK 24 68 - 35 - 2.3/4384=4, 1.8/4392=4...(17) HB3 MET 113 - HB2 GLU 131 OK 18 100 - 18 - 4451/1.8=3, 4465/2.9=2...(6) HG2 GLN 62 - HB3 LYS 61 OK 11 60 - 19 - 4.9/1681=5, 3.9/1751=2...(8) HG2 GLU 90 - HB2 GLU 131 OK 10 100 - 10 - 4451/1.8=1, 7663/4.6=1 HG3 GLN 62 - HB3 LYS 61 poor 10 55 - 18 - 4.9/1681=5, 3.9/1751=2...(7) HG2 GLN 62 - HB2 GLU 131 lone 7 72 - 9 - 4.9/4446=2, 1780/4.6=1 HG3 GLN 62 - HB2 GLU 131 lone 7 68 - 10 - 4.9/4446=2 HG2 GLU 120 - HB2 GLU 131 lone 5 89 - 5 - HG3 GLU 75 - HB2 GLU 131 lone 4 62 - 6 - HG3 GLU 142 - HB3 LYS 61 lone 4 90 - 4 - HB3 MET 113 - HB3 LYS 61 lone 3 89 - 4 - HG3 GLU 120 - HB2 GLU 131 lone 3 62 - 5 - HG3 GLU 75 - HB3 LYS 61 lone 2 51 - 5 - 5.0/1671=1, 8643/8275=1 HG2 GLU 90 - HB3 LYS 61 lone 2 90 - 2 - HG2 GLU 120 - HB3 LYS 61 lone 1 75 - 1 - HG3 GLU 120 - HB3 LYS 61 lone 0 51 - 1 - Peak 4445 from aliabs.peaks (2.46, 2.09, 30.00 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 131 + HB2 GLU 131 OK 100 100 - 100 - 2.9=100 HB3 GLU 131 + HB2 GLU 131 OK 68 68 - 100 - 1.8=100 HG3 GLU 28 - HB2 GLU 131 OK 28 100 - 28 - ~330=5, ~323=4, ~316=4...(10) HG3 GLU 131 - HB3 LYS 61 OK 25 90 - 28 - 4463=4, 4.2/4441=3...(10) HB3 GLU 131 - HB3 LYS 61 OK 18 55 - 32 - 3.0/4441=4, 4.6/1681=3...(15) HG3 GLU 28 - HB3 LYS 61 lone 4 90 - 5 - 8049/4.8=2 Peak 4448 from aliabs.peaks (4.14, 2.47, 30.00 ppm; 4.83 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 3.0=100 HA LEU 126 + HB3 GLU 131 OK 49 98 - 51 - 4448=11, 4441/1.8=9...(14) HA LYS 76 - HB3 GLU 131 OK 33 77 - 43 - 4448=8, 4462/2.9=7...(14) HA3 GLY 125 - HB3 GLU 131 OK 11 85 - 12 - 4448=2, 4462/2.9=2...(5) HB3 SER 44 - HB3 GLU 131 lone 2 62 - 3 - Peak 4449 from aliabs.peaks (2.09, 2.47, 30.00 ppm; 4.11 A): 5 out of 11 assignments used, quality = 1.00: * HB2 GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 1.8=100 HB2 PRO 129 + HB3 GLU 131 OK 83 100 - 83 - 4.1/9545=9, ~10402=9...(43) HB3 GLU 142 + HB3 GLU 131 OK 73 85 - 86 - 3.0/4451=9, 4.0/4447=9...(43) HG3 PRO 33 + HB3 GLU 131 OK 51 100 - 51 - 4449=5, 476/2.9=4...(34) HB3 LYS 61 + HB3 GLU 131 OK 46 100 - 46 - 4443=7, 1681/4.6=5...(17) HG2 PRO 33 - HB3 GLU 131 OK 36 72 - 49 - 1.8/4449=5, 4449=4...(31) HB2 LEU 26 - HB3 GLU 131 OK 20 98 - 21 - ~10568=4, ~253=2...(10) HG2 GLU 122 - HB3 GLU 131 OK 19 94 - 21 - 3.0/9556=5, 4433/3.0=2...(10) HD2 ARG 49 - HB3 GLU 131 lone 6 99 - 6 - HB3 LYS 36 - HB3 GLU 131 lone 5 62 - 8 - HB3 GLN 25 - HB3 GLU 131 lone 5 68 - 7 - Peak 4450 from aliabs.peaks (2.47, 2.47, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 131 + HB3 GLU 131 OK 100 100 - 100 Peak 4451 from aliabs.peaks (2.27, 2.47, 30.00 ppm; 4.44 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLU 131 + HB3 GLU 131 OK 100 100 - 100 - 2.9=100 HG3 GLU 142 + HB3 GLU 131 OK 84 100 - 85 - 4451=13, 4444/1.8=12...(32) HG3 PRO 129 + HB3 GLU 131 OK 65 81 - 80 - 4451=10, 4444/1.8=9...(38) HB3 MET 113 - HB3 GLU 131 OK 29 100 - 29 - 4451=4, 7663/4.6=3...(10) HG2 GLU 90 - HB3 GLU 131 OK 16 100 - 16 - 4451=2, 7663/4.6=2...(6) HG3 GLN 62 - HB3 GLU 131 OK 10 68 - 15 - 4.9/4453=3, 1780/4.6=1 HG2 GLN 62 - HB3 GLU 131 OK 10 72 - 14 - 4.9/4453=3, 1780/4.6=2 HG3 GLU 75 - HB3 GLU 131 poor 8 62 - 12 - 8640/9501=1 HG2 GLU 120 - HB3 GLU 131 lone 7 89 - 7 - HG3 GLU 120 - HB3 GLU 131 lone 5 62 - 7 - Peak 4452 from aliabs.peaks (2.46, 2.47, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HB3 GLU 131 + HB3 GLU 131 OK 68 68 - 100 Reference assignment not found: HG3 GLU 131 - HB3 GLU 131 Peak 4455 from aliabs.peaks (4.14, 2.27, 36.81 ppm; 3.50 A): 3 out of 15 assignments used, quality = 0.95: * HA GLU 131 + HG2 GLU 131 OK 89 100 - 89 - 4.2=60, 4462/1.8=21...(14) HA GLU 131 + HG3 GLU 142 OK 36 66 - 55 - 4435=12, 3.0/4444=8...(19) HA LEU 126 + HG2 GLU 131 OK 28 98 - 29 - 4462/1.8=7, 4448/2.9=5...(7) HA LYS 76 - HG2 GLU 131 OK 18 77 - 24 - 4462/1.8=5, 4448/2.9=4...(8) HA LEU 126 - HG2 GLU 120 OK 14 60 - 23 - 3.0/10340=6, 4.0/9494=5...(7) HA LEU 126 - HG3 GLU 142 poor 7 62 - 12 - ~11582=3, 3.9/9559=2...(4) HA3 GLY 125 - HG2 GLU 131 lone 5 85 - 5 - 4462/1.8=1, 4448/2.9=1 HA LYS 76 - HG2 GLU 120 lone 4 42 - 10 - 3.0/6810=3, 2.9/11604=1 HA3 GLY 125 - HG2 GLU 120 lone 4 48 - 7 - 3.6/10340=5 HB3 SER 44 - HG2 GLU 120 poor 3 33 - 10 - ~4036=2, ~8168=1...(4) HA LYS 76 - HG3 GLU 142 lone 3 44 - 7 - 3.6/8679=1, ~6808=1 HA GLU 131 - HG2 GLU 120 lone 3 64 - 4 - HB3 SER 44 - HG2 GLU 131 lone 1 62 - 2 - HA3 GLY 125 - HG3 GLU 142 lone 1 50 - 2 - HB3 SER 44 - HG3 GLU 142 lone 1 34 - 2 - Peak 4456 from aliabs.peaks (2.09, 2.27, 36.81 ppm; 3.43 A): 4 out of 33 assignments used, quality = 1.00: * HB2 GLU 131 + HG2 GLU 131 OK 100 100 - 100 - 2.9=100 HB2 PRO 129 + HG2 GLU 131 OK 56 100 - 56 - 4463/1.8=6, 4379=5...(30) HB3 GLU 142 + HG2 GLU 131 OK 55 85 - 64 - 1.8/4843=10, 4850=9...(26) HB3 GLU 142 + HG3 GLU 142 OK 50 50 - 100 - 3.0=100 HB2 GLU 131 - HG3 GLU 142 OK 44 66 - 67 - 4444=12, 1.8/4451=9...(27) HG3 PRO 33 - HG2 GLU 131 OK 32 100 - 32 - 476/1.8=4, 4449/2.9=3...(14) HB3 LYS 61 - HG2 GLU 131 OK 27 100 - 27 - 4443/2.9=4, 4445/1.8=3...(10) HG2 PRO 33 - HG2 GLU 131 OK 23 72 - 31 - 2.3/4459=3, 4463/1.8=3...(13) HB2 PRO 129 - HG3 GLU 142 OK 21 66 - 32 - 4855/1.8=3, 4379=3...(18) HB3 GLU 142 - HG2 GLU 120 OK 21 48 - 43 - 4849/1.8=8, ~4842=6...(14) HB2 PRO 129 - HG2 GLU 120 OK 17 64 - 27 - 4377/3.0=6, ~4023=4...(9) HG3 PRO 33 - HG3 GLU 142 OK 13 65 - 20 - 4855/1.8=2, 4841/3.0=2...(7) HB2 LEU 26 - HG2 GLU 131 OK 12 98 - 12 - ~10568=4, 4463/1.8=1 HG2 GLU 122 - HG2 GLU 131 OK 10 94 - 11 - ~9556=2, 4463/1.8=1 HG2 PRO 33 - HG3 GLU 142 poor 8 41 - 20 - 4855/1.8=3, 4841/3.0=2...(7) HD2 ARG 49 - HG2 GLU 131 lone 5 99 - 5 - HB2 GLU 131 - HG2 GLU 120 lone 4 64 - 5 - HB3 GLN 25 - HG2 GLU 131 lone 3 68 - 4 - HB3 LYS 36 - HG2 GLU 131 lone 3 62 - 4 - HB3 LYS 61 - HG3 GLU 142 lone 3 65 - 4 - HB3 GLN 25 - HG3 GLU 142 lone 3 37 - 7 - HB3 LYS 36 - HG3 GLU 142 lone 2 34 - 6 - HD2 ARG 49 - HG3 GLU 142 lone 1 63 - 2 - HB2 LEU 26 - HG3 GLU 142 lone 1 62 - 2 - HG2 GLU 122 - HG3 GLU 142 lone 1 58 - 2 - HB3 LYS 61 - HG2 GLU 120 lone 1 64 - 1 - HG3 PRO 33 - HG2 GLU 120 lone 1 64 - 1 - HG2 GLU 122 - HG2 GLU 120 lone 1 56 - 1 - HB3 LYS 36 - HG2 GLU 120 lone 0 33 - 1 - HD2 ARG 49 - HG2 GLU 120 lone 0 62 - 1 - HG2 PRO 33 - HG2 GLU 120 lone 0 39 - 1 - HB2 LEU 26 - HG2 GLU 120 lone 0 60 - 0 - HB3 GLN 25 - HG2 GLU 120 lone 0 36 - 0 - Peak 4457 from aliabs.peaks (2.47, 2.27, 36.81 ppm; 3.07 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 131 + HG2 GLU 131 OK 100 100 - 100 - 2.9=100 HG3 GLU 131 + HG2 GLU 131 OK 68 68 - 100 - 1.8=100 HB3 GLU 131 - HG3 GLU 142 OK 39 66 - 59 - 1.8/4444=10, 4451=8...(24) HG3 GLU 131 - HG3 GLU 142 OK 21 37 - 57 - 2.9/4444=7, 4465=7...(27) HB2 ASP 65 - HG2 GLU 131 lone 4 92 - 4 - ~1868=1 HB3 GLU 131 - HG2 GLU 120 lone 2 64 - 4 - HG3 GLU 131 - HG2 GLU 120 lone 1 36 - 3 - HB2 ASP 65 - HG3 GLU 142 lone 0 55 - 1 - HB2 ASP 65 - HG2 GLU 120 lone 0 54 - 0 - Peak 4458 from aliabs.peaks (2.27, 2.27, 36.81 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 131 + HG2 GLU 131 OK 100 100 - 100 HG3 GLU 142 + HG3 GLU 142 OK 66 66 - 100 HG2 GLU 120 + HG2 GLU 120 OK 51 51 - 100 Peak 4459 from aliabs.peaks (2.46, 2.27, 36.81 ppm; 2.93 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 131 + HG2 GLU 131 OK 100 100 - 100 - 1.8=100 HB3 GLU 131 + HG2 GLU 131 OK 68 68 - 100 - 2.9=100 HG3 GLU 131 - HG3 GLU 142 OK 38 66 - 58 - 4465=12, 2.9/4444=6...(26) HB3 GLU 131 - HG3 GLU 142 OK 19 37 - 51 - 1.8/4444=9, 2.9/4465=6...(24) HG3 GLU 28 - HG2 GLU 131 OK 17 100 - 17 - ~330=3, ~323=2, ~316=2...(8) HG3 GLU 131 - HG2 GLU 120 lone 2 64 - 4 - HB3 GLU 131 - HG2 GLU 120 lone 1 36 - 3 - HG3 GLU 28 - HG3 GLU 142 lone 1 65 - 1 - HG3 GLU 28 - HG2 GLU 120 lone 0 64 - 0 - Peak 4462 from aliabs.peaks (4.14, 2.46, 36.81 ppm; 3.61 A): 2 out of 5 assignments used, quality = 0.94: * HA GLU 131 + HG3 GLU 131 OK 92 100 - 92 - 4.2=66, 3.0/4461=19...(23) HA LEU 126 + HG3 GLU 131 OK 30 98 - 31 - 4462=10, 4455/1.8=6...(6) HA LYS 76 - HG3 GLU 131 OK 21 77 - 27 - 4462=8, 4455/1.8=4...(8) HA3 GLY 125 - HG3 GLU 131 lone 6 85 - 7 - 4462=2, 4448/2.9=1, 4441/2.9=1 HB3 SER 44 - HG3 GLU 131 lone 1 62 - 2 - Peak 4463 from aliabs.peaks (2.09, 2.46, 36.81 ppm; 3.65 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLU 131 + HG3 GLU 131 OK 100 100 - 100 - 2.9=100 HB2 PRO 129 + HG3 GLU 131 OK 67 100 - 67 - 4.1/9545=7, 2.3/4465=7...(38) HB3 GLU 142 + HG3 GLU 131 OK 65 85 - 77 - 4463=9, 3.0/4465=9...(35) HG3 PRO 33 - HG3 GLU 131 OK 41 100 - 41 - 4463=6, 1.8/468=4...(18) HB3 LYS 61 - HG3 GLU 131 OK 31 100 - 31 - 4445=5, 4443/2.9=4...(11) HG2 PRO 33 - HG3 GLU 131 OK 28 72 - 38 - 1.8/4463=4, 4463=4...(16) HB2 LEU 26 - HG3 GLU 131 OK 16 98 - 17 - 3.2/10568=5, 4463=1...(4) HG2 GLU 122 - HG3 GLU 131 OK 13 94 - 13 - ~9556=2, 4449/2.9=1 HD2 ARG 49 - HG3 GLU 131 lone 5 99 - 5 - HB3 LYS 36 - HG3 GLU 131 lone 4 62 - 6 - HB3 GLN 25 - HG3 GLU 131 lone 3 68 - 5 - Peak 4464 from aliabs.peaks (2.47, 2.46, 36.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG3 GLU 131 + HG3 GLU 131 OK 68 68 - 100 Reference assignment not found: HB3 GLU 131 - HG3 GLU 131 Peak 4465 from aliabs.peaks (2.27, 2.46, 36.81 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 131 + HG3 GLU 131 OK 100 100 - 100 - 1.8=100 HG3 GLU 142 + HG3 GLU 131 OK 59 100 - 60 - 4465=12, 4444/2.9=6...(27) HG3 PRO 129 - HG3 GLU 131 OK 41 81 - 50 - 4465=8, 4444/2.9=5...(28) HB3 MET 113 - HG3 GLU 131 OK 16 100 - 16 - 4465=3, 4444/2.9=1...(4) HG2 GLU 90 - HG3 GLU 131 lone 8 100 - 8 - 4465=2 HG3 GLN 62 - HG3 GLU 131 lone 4 68 - 6 - 4.9/4467=1 HG2 GLN 62 - HG3 GLU 131 lone 4 72 - 6 - 4.9/4467=1 HG2 GLU 120 - HG3 GLU 131 lone 3 89 - 3 - HG3 GLU 75 - HG3 GLU 131 lone 3 62 - 4 - HG3 GLU 120 - HG3 GLU 131 lone 2 62 - 3 - Peak 4466 from aliabs.peaks (2.46, 2.46, 36.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 131 + HG3 GLU 131 OK 100 100 - 100 Peak 4469 from aliabs.peaks (4.08, 4.08, 57.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 132 + HA LEU 132 OK 100 100 - 100 Peak 4470 from aliabs.peaks (1.26, 4.08, 57.69 ppm; 4.11 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + HA LEU 132 OK 100 100 - 100 - 2.9=100 HG3 LYS 61 + HA LEU 132 OK 59 100 - 59 - 4488/2.9=7, 7666/2.8=7...(23) HG2 LYS 61 + HA LEU 132 OK 47 85 - 55 - 4488/2.9=5, 4512/4.0=5...(23) HB3 LEU 97 - HA LEU 132 OK 40 100 - 40 - 4488/2.9=5, 4504/3.8=4...(21) QG2 THR 99 - HA LEU 132 OK 39 100 - 39 - 10150/2.8=6, 4.0/4468=5...(15) QG2 THR 102 - HA LEU 132 lone 10 99 - 10 - 4488/2.9=1 Peak 4471 from aliabs.peaks (1.94, 4.08, 57.69 ppm; 3.68 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 132 + HA LEU 132 OK 100 100 - 100 - 2.9=100 HB ILE 136 + HA LEU 132 OK 69 100 - 69 - 2.5/10292=13...(29) HB2 PRO 118 - HA LEU 132 OK 44 92 - 48 - 4.3/4476=7, 7680/3.6=6...(27) HG13 ILE 83 - HA LEU 132 OK 33 89 - 37 - 2.1/10031=10, 4505/3.8=3...(14) HG2 PRO 12 - HA LEU 132 OK 21 85 - 25 - 4481/2.9=2, ~103=1...(11) HB3 PRO 52 - HA LEU 132 OK 18 100 - 18 - 3.9/6498=3, 4481/2.9=1...(5) HG3 PRO 12 - HA LEU 132 OK 14 62 - 23 - 4481/2.9=1, 103/2.9=1...(11) HB3 GLU 122 - HA LEU 132 OK 14 68 - 20 - 1.8/4477=5, 11034/3.8=4...(7) HG2 PRO 52 - HA LEU 132 OK 13 100 - 13 - 4481/2.9=1, 4505/3.8=1 HB2 ARG 89 - HA LEU 132 OK 12 98 - 12 - ~8949=2, 4.4/7038=2, ~8949=2 HB2 ARG 140 - HA LEU 132 lone 7 81 - 9 - HB3 PRO 98 - HA LEU 132 lone 6 72 - 9 - ~10145=1 Peak 4472 from aliabs.peaks (1.38, 4.08, 57.69 ppm; 4.35 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 132 + HA LEU 132 OK 100 100 - 100 - 3.7=100 HB3 LEU 39 - HA LEU 132 OK 32 100 - 33 - 7681/3.6=5, 4482/2.9=5...(9) HB VAL 82 - HA LEU 132 OK 30 68 - 44 - ~8816=12, ~11009=9...(13) HB2 LEU 69 - HA LEU 132 OK 29 96 - 30 - 4514/4.0=5, 4506/3.8=5...(7) HB3 ARG 49 - HA LEU 132 OK 21 72 - 29 - 3.7/11610=3, 4482/2.9=3...(14) HG2 LYS 86 - HA LEU 132 OK 21 72 - 29 - 4490/2.9=3, 4482/2.9=3...(14) HB2 ARG 109 - HA LEU 132 OK 13 77 - 17 - 3.6/11039=3, 4514/4.0=2...(9) Peak 4473 from aliabs.peaks (0.41, 4.08, 57.69 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + HA LEU 132 OK 100 100 - 100 - 3.8=100 Peak 4474 from aliabs.peaks (0.60, 4.08, 57.69 ppm; 3.42 A): 3 out of 3 assignments used, quality = 0.94: * QD1 LEU 132 + HA LEU 132 OK 87 100 - 87 - 4.0=64, 7670/2.8=12...(17) QD1 LEU 66 + HA LEU 132 OK 33 100 - 33 - 4508/3.8=6, 4484/2.9=6...(9) QG1 VAL 71 + HA LEU 132 OK 31 92 - 34 - 4492/2.9=5, 4484/2.9=5...(10) Peak 4477 from aliabs.peaks (1.54, 4.08, 57.69 ppm; 3.50 A): 7 out of 8 assignments used, quality = 0.91: * QB ALA 135 + HA LEU 132 OK 72 100 - 72 - 4586=22, 9626/2.9=16...(14) HG3 LYS 76 + HA LEU 132 OK 22 98 - 22 - 10092/3.8=12...(3) HB2 GLU 122 + HA LEU 132 OK 21 89 - 23 - 11037/3.8=10...(5) HB2 LEU 29 + HA LEU 132 OK 19 99 - 19 - 3.1/8060=4, ~10425=4...(7) HG2 LYS 93 + HA LEU 132 OK 16 100 - 16 - 10092/3.8=4, 2.9/3033=3...(6) HB3 LEU 79 + HA LEU 132 OK 12 81 - 15 - 9599/3.8=4, 10298/4.0=3...(6) HD2 LYS 76 + HA LEU 132 OK 12 96 - 13 - 3.0/9890=3, 9599/3.8=3 HG3 LYS 85 - HA LEU 132 lone 5 89 - 6 - Peak 4479 from aliabs.peaks (4.08, 1.26, 40.08 ppm; 4.81 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 2.9=100 HA VAL 53 + HB2 LEU 132 OK 64 100 - 64 - 4487/1.8=8, 4511/3.2=8...(22) HD3 PRO 118 + HB2 LEU 132 OK 51 77 - 66 - 4487/1.8=6, 4503/3.2=5...(32) HA GLU 90 + HB2 LEU 132 OK 45 100 - 45 - 4503/3.2=6, 4511/3.2=6...(19) HA LYS 34 - HB2 LEU 132 OK 27 100 - 27 - 10871/3.2=5, 4487/1.8=4...(8) HA LEU 26 - HB2 LEU 132 OK 23 62 - 37 - 10547/3.2=6, 4487/1.8=5...(13) Peak 4480 from aliabs.peaks (1.26, 1.26, 40.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 132 + HB2 LEU 132 OK 100 100 - 100 Peak 4481 from aliabs.peaks (1.94, 1.26, 40.08 ppm; 4.19 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 1.8=100 HB ILE 136 + HB2 LEU 132 OK 96 100 - 96 - 2.5/10340=17, ~9686=16...(47) HG13 ILE 83 + HB2 LEU 132 OK 66 89 - 74 - ~10018=19, ~9999=16...(25) HB2 PRO 118 + HB2 LEU 132 OK 56 92 - 61 - 7680/3.8=7, 3.0/4479=5...(33) HG2 PRO 12 - HB2 LEU 132 OK 36 85 - 43 - ~10423=3, ~103=3...(26) HB3 GLU 122 - HB2 LEU 132 OK 35 68 - 51 - ~11037=15, 11034/3.2=6...(20) HB3 PRO 52 - HB2 LEU 132 OK 27 100 - 26 - 4471/2.9=2, 4505/3.2=2...(7) HG3 PRO 12 - HB2 LEU 132 OK 25 62 - 41 - ~10423=3, ~79=2, ~63=2...(29) HG2 PRO 52 - HB2 LEU 132 OK 25 100 - 24 - ~9577=2, 4505/3.2=2...(7) HB2 ARG 89 - HB2 LEU 132 OK 16 98 - 16 - 3.0/8949=4, 4471/2.9=1 HB2 ARG 140 - HB2 LEU 132 OK 10 81 - 13 - HB3 PRO 98 - HB2 LEU 132 OK 10 72 - 14 - 4.2/7171=2, 2.3/9139=2...(4) Peak 4482 from aliabs.peaks (1.38, 1.26, 40.08 ppm; 4.29 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.0=100 HB3 LEU 39 + HB2 LEU 132 OK 48 100 - 48 - 4514/3.2=6, 4490/1.8=6...(21) HB2 LEU 69 + HB2 LEU 132 OK 47 96 - 48 - ~8474=7, 4514/3.2=6...(20) HB VAL 82 - HB2 LEU 132 OK 40 68 - 59 - 3.0/8816=18...(17) HG2 LYS 86 - HB2 LEU 132 OK 34 72 - 46 - 4490/1.8=4, 4.9/8868=4...(28) HB3 ARG 49 - HB2 LEU 132 OK 30 72 - 41 - 4490/1.8=4, 4506/3.2=3...(21) HB2 ARG 109 - HB2 LEU 132 OK 18 77 - 23 - 4514/3.2=2, 4490/1.8=2...(11) Peak 4483 from aliabs.peaks (0.41, 1.26, 40.08 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.2=100 Peak 4484 from aliabs.peaks (0.60, 1.26, 40.08 ppm; 4.27 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 132 + HB2 LEU 132 OK 100 100 - 100 - 3.2=100 QD1 LEU 66 + HB2 LEU 132 OK 61 100 - 61 - 4492/1.8=11, 4500/3.0=10...(20) QG1 VAL 71 + HB2 LEU 132 OK 53 92 - 58 - 4492/1.8=10, 4500/3.0=8...(17) Peak 4487 from aliabs.peaks (4.08, 1.94, 40.08 ppm; 4.96 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 2.9=100 HA VAL 53 + HB3 LEU 132 OK 65 100 - 66 - 4479/1.8=9, 4511/3.2=8...(21) HD3 PRO 118 + HB3 LEU 132 OK 52 77 - 68 - 4479/1.8=7, 2.3/3965=6...(31) HA GLU 90 - HB3 LEU 132 OK 45 100 - 44 - 4503/3.2=6, 4511/3.2=6...(17) HA LYS 34 - HB3 LEU 132 OK 30 100 - 30 - 10871/3.2=5, 4479/1.8=4...(10) HA LEU 26 - HB3 LEU 132 OK 23 62 - 37 - 10547/3.2=6, 4479/1.8=5...(12) Peak 4488 from aliabs.peaks (1.26, 1.94, 40.08 ppm; 4.26 A): 4 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 1.8=100 HG3 LYS 61 + HB3 LEU 132 OK 74 100 - 74 - 4512/3.2=8, ~8331=7...(34) HG2 LYS 61 + HB3 LEU 132 OK 62 85 - 72 - ~8331=7, 4512/3.2=6...(33) HB3 LEU 97 + HB3 LEU 132 OK 53 100 - 53 - 4512/3.2=5, 4496/3.0=5...(23) QG2 THR 99 - HB3 LEU 132 OK 42 100 - 42 - 4.0/9166=8, 10150/3.6=6...(11) QG2 THR 102 - HB3 LEU 132 OK 12 99 - 12 - ~3376=1, 4512/3.2=1...(5) Peak 4489 from aliabs.peaks (1.94, 1.94, 40.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 132 + HB3 LEU 132 OK 100 100 - 100 Peak 4490 from aliabs.peaks (1.38, 1.94, 40.08 ppm; 4.49 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.0=100 HB3 LEU 39 + HB3 LEU 132 OK 50 100 - 51 - 4482/1.8=6, 4514/3.2=6...(18) HB2 LEU 69 + HB3 LEU 132 OK 49 96 - 51 - ~8474=7, 4514/3.2=6...(19) HB VAL 82 - HB3 LEU 132 OK 42 68 - 62 - ~8816=17, ~8816=13...(18) HG2 LYS 86 - HB3 LEU 132 OK 38 72 - 52 - 4482/1.8=4, 1.8/2716=4...(31) HB3 ARG 49 - HB3 LEU 132 OK 32 72 - 45 - 3.7/11511=4, 4482/1.8=4...(24) HB2 ARG 109 - HB3 LEU 132 OK 18 77 - 23 - 4514/3.2=3, 4482/1.8=3...(11) Peak 4491 from aliabs.peaks (0.41, 1.94, 40.08 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.2=100 Peak 4492 from aliabs.peaks (0.60, 1.94, 40.08 ppm; 4.21 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 132 + HB3 LEU 132 OK 100 100 - 100 - 3.2=100 QD1 LEU 66 + HB3 LEU 132 OK 58 100 - 58 - 4484/1.8=11, 4500/3.0=10...(15) QG1 VAL 71 + HB3 LEU 132 OK 53 92 - 58 - 4484/1.8=9, 4500/3.0=8...(17) Peak 4495 from aliabs.peaks (4.08, 1.38, 26.96 ppm; 4.91 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 132 + HG LEU 132 OK 100 100 - 100 - 3.7=100 HA VAL 53 + HG LEU 132 OK 55 100 - 55 - 4511/2.1=9, 4503/2.1=8...(14) HD3 PRO 118 - HG LEU 132 OK 44 77 - 57 - 4503/2.1=6, 4511/2.1=6...(21) HA GLU 90 - HG LEU 132 OK 38 100 - 38 - 4503/2.1=7, 4511/2.1=7...(12) HA LYS 34 - HG LEU 132 OK 24 100 - 24 - 10871/2.1=6, 4503/2.1=4...(7) HA LEU 26 - HG LEU 132 OK 21 62 - 34 - 10547/2.1=7, ~10868=6...(9) Peak 4496 from aliabs.peaks (1.26, 1.38, 26.96 ppm; 4.10 A): 4 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + HG LEU 132 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HG LEU 132 OK 69 100 - 69 - 4512/2.1=9, ~8331=9...(25) HG2 LYS 61 + HG LEU 132 OK 57 85 - 67 - ~8331=9, 4512/2.1=7...(25) HB3 LEU 97 + HG LEU 132 OK 47 100 - 47 - 4512/2.1=6, 4504/2.1=5...(26) QG2 THR 99 - HG LEU 132 OK 36 100 - 36 - 4504/2.1=5, 4512/2.1=5...(12) QG2 THR 102 - HG LEU 132 lone 10 99 - 9 - 4512/2.1=1, 4504/2.1=1 Peak 4497 from aliabs.peaks (1.94, 1.38, 26.96 ppm; 3.96 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LEU 132 + HG LEU 132 OK 100 100 - 100 - 3.0=100 HB ILE 136 + HG LEU 132 OK 95 100 - 96 - ~9686=21, ~9686=17...(45) HG13 ILE 83 + HG LEU 132 OK 68 89 - 76 - ~10018=22, ~9999=19...(26) HB2 PRO 118 + HG LEU 132 OK 46 92 - 50 - 7680/4.9=5, 4513/2.1=4...(27) HB3 GLU 122 - HG LEU 132 OK 33 68 - 49 - ~11037=16, ~9457=6...(15) HG2 PRO 12 - HG LEU 132 OK 31 85 - 36 - ~10423=3, 4513/2.1=3...(17) HB3 PRO 52 - HG LEU 132 OK 22 100 - 22 - 4505/2.1=2, 4513/2.1=2...(7) HG3 PRO 12 - HG LEU 132 OK 21 62 - 34 - ~10423=3, 4513/2.1=2...(17) HG2 PRO 52 - HG LEU 132 OK 21 100 - 21 - ~9577=2, 4505/2.1=2...(8) HB2 ARG 89 - HG LEU 132 OK 14 98 - 14 - ~8949=2, ~8949=2...(4) HB2 ARG 140 - HG LEU 132 poor 9 81 - 11 - HB3 PRO 98 - HG LEU 132 lone 6 72 - 9 - Peak 4498 from aliabs.peaks (1.38, 1.38, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 132 + HG LEU 132 OK 100 100 - 100 Peak 4499 from aliabs.peaks (0.41, 1.38, 26.96 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + HG LEU 132 OK 100 100 - 100 - 2.1=100 Peak 4500 from aliabs.peaks (0.60, 1.38, 26.96 ppm; 3.53 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 132 + HG LEU 132 OK 100 100 - 100 - 2.1=100 QD1 LEU 66 + HG LEU 132 OK 53 100 - 53 - 4508/2.1=10, 4484/3.0=6...(18) QG1 VAL 71 - HG LEU 132 OK 43 92 - 47 - 4508/2.1=8, 4492/3.0=5...(16) Peak 4503 from aliabs.peaks (4.08, 0.41, 25.33 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.99: * HA LEU 132 + QD2 LEU 132 OK 99 100 - 99 - 3.8=94, 2.8/7669=23...(18) HA VAL 53 - QD2 LEU 132 OK 44 100 - 44 - 3.2/9596=8, 4511/2.1=7...(15) HA GLU 90 - QD2 LEU 132 OK 38 100 - 38 - 4511/2.1=5, 3.8/9576=5...(15) HD3 PRO 118 - QD2 LEU 132 OK 32 77 - 42 - 4511/2.1=5, 9667/9686=4...(21) HA LYS 34 - QD2 LEU 132 OK 20 100 - 20 - 10871/2.1=4...(8) HA LEU 26 - QD2 LEU 132 OK 15 62 - 25 - 4511/2.1=5, ~10868=3...(10) Peak 4504 from aliabs.peaks (1.26, 0.41, 25.33 ppm; 3.37 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 3.2=100 HG3 LYS 61 + QD2 LEU 132 OK 53 100 - 54 - 4512/2.1=7, ~8331=5...(24) HG2 LYS 61 - QD2 LEU 132 OK 44 85 - 51 - ~8331=5, 4512/2.1=5...(22) HB3 LEU 97 - QD2 LEU 132 OK 35 100 - 34 - 4512/2.1=4, 4496/2.1=4...(15) QG2 THR 99 - QD2 LEU 132 OK 35 100 - 35 - 4.0/4502=4, 4512/2.1=4...(15) QG2 THR 102 - QD2 LEU 132 lone 8 99 - 8 - Peak 4505 from aliabs.peaks (1.94, 0.41, 25.33 ppm; 3.29 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 3.2=100 HB ILE 136 + QD2 LEU 132 OK 88 100 - 88 - 2.5/9686=28, 2.1/9596=10...(41) HG13 ILE 83 + QD2 LEU 132 OK 50 89 - 56 - 2.1/10018=26, ~10004=7...(18) HB2 PRO 118 - QD2 LEU 132 OK 37 92 - 40 - 4.3/10409=3, 7680/4.7=3...(25) HB3 GLU 122 - QD2 LEU 132 OK 28 68 - 41 - 1.8/11037=8, 3.0/9457=6...(13) HG2 PRO 12 - QD2 LEU 132 OK 22 85 - 26 - ~10423=2, 2.3/9576=2...(7) HB3 PRO 52 - QD2 LEU 132 OK 18 100 - 18 - 2.3/9577=2, 4513/2.1=1 HG2 PRO 52 - QD2 LEU 132 OK 17 100 - 17 - 1.8/9577=3, 4513/2.1=1...(4) HG3 PRO 12 - QD2 LEU 132 OK 15 62 - 25 - ~10423=2, 2.3/9576=2...(10) HB2 ARG 89 - QD2 LEU 132 poor 10 98 - 10 - ~8949=1, ~8949=1 HB2 ARG 140 - QD2 LEU 132 lone 8 81 - 9 - 4637/9686=1 HB3 PRO 98 - QD2 LEU 132 lone 5 72 - 7 - Peak 4506 from aliabs.peaks (1.38, 0.41, 25.33 ppm; 3.09 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 2.1=100 HB2 LEU 69 - QD2 LEU 132 OK 33 96 - 34 - 4514/2.1=4, ~8474=4...(17) HB3 LEU 39 - QD2 LEU 132 OK 32 100 - 32 - 4514/2.1=4, ~10423=2...(16) HB VAL 82 - QD2 LEU 132 OK 24 68 - 36 - ~8816=4, ~11009=4...(16) HB3 ARG 49 - QD2 LEU 132 OK 20 72 - 28 - 3.0/4499=3, 4514/2.1=2...(11) HG2 LYS 86 - QD2 LEU 132 OK 20 72 - 27 - 2.9/10301=3, 4514/2.1=2...(11) HB2 ARG 109 - QD2 LEU 132 OK 13 77 - 16 - 4514/2.1=2, ~3542=1...(5) Peak 4507 from aliabs.peaks (0.41, 0.41, 25.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + QD2 LEU 132 OK 100 100 - 100 Peak 4508 from aliabs.peaks (0.60, 0.41, 25.33 ppm; 2.72 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 132 + QD2 LEU 132 OK 100 100 - 100 - 2.1=100 QD1 LEU 66 - QD2 LEU 132 OK 40 100 - 40 - 4500/2.1=5, 9329/9330=3...(17) QG1 VAL 71 - QD2 LEU 132 OK 30 92 - 33 - 4500/2.1=4, 4492/3.2=3...(17) Peak 4511 from aliabs.peaks (4.08, 0.60, 23.67 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.94: * HA LEU 132 + QD1 LEU 132 OK 86 100 - 86 - 4.0=62, 2.8/7670=12...(17) HA VAL 53 + QD1 LEU 132 OK 42 100 - 42 - 4511=8, 3.2/9600=7...(14) HA GLU 90 + QD1 LEU 132 OK 32 100 - 32 - 4511=6, 4503/2.1=4...(13) HD3 PRO 118 - QD1 LEU 132 OK 28 77 - 36 - 4503/2.1=4, 4.6/10415=4...(16) HA LYS 34 - QD1 LEU 132 OK 20 100 - 20 - 10871=4, 4503/2.1=2...(8) HA LEU 26 - QD1 LEU 132 OK 20 62 - 32 - 4511=6, 4.0/10577=5...(13) Peak 4512 from aliabs.peaks (1.26, 0.60, 23.67 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 3.2=100 HG3 LYS 61 + QD1 LEU 132 OK 69 100 - 70 - 4512=10, 3.0/8331=9...(27) HG2 LYS 61 + QD1 LEU 132 OK 57 85 - 67 - 3.0/8331=9, 1.8/4512=8...(27) HB3 LEU 97 - QD1 LEU 132 OK 44 100 - 44 - 4512=6, 4504/2.1=5...(17) QG2 THR 99 - QD1 LEU 132 OK 38 100 - 38 - 4512=5, 4504/2.1=5...(13) QG2 THR 102 - QD1 LEU 132 OK 10 99 - 10 - 4512=1, 4504/2.1=1 Peak 4513 from aliabs.peaks (1.94, 0.60, 23.67 ppm; 3.59 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 3.2=100 HB ILE 136 + QD1 LEU 132 OK 91 100 - 92 - ~9686=17, 2.5/9685=16...(42) HG13 ILE 83 + QD1 LEU 132 OK 61 89 - 69 - ~10018=18, ~9999=16...(22) HB2 PRO 118 + QD1 LEU 132 OK 47 92 - 51 - 4.3/10411=6, 4513=5...(27) HB3 GLU 122 - QD1 LEU 132 OK 31 68 - 46 - ~11037=13, 1.8/10298=6...(14) HG2 PRO 12 - QD1 LEU 132 OK 30 85 - 35 - 2.3/10423=4, 4513=3...(12) HB3 PRO 52 - QD1 LEU 132 OK 21 100 - 21 - 4505/2.1=2, ~9577=1...(6) HG3 PRO 12 - QD1 LEU 132 OK 21 62 - 33 - 2.3/10423=4, 1.8/4513=3...(13) HG2 PRO 52 - QD1 LEU 132 OK 20 100 - 20 - ~9577=2, 4505/2.1=2...(5) HB2 ARG 89 - QD1 LEU 132 OK 14 98 - 14 - ~8949=1, ~8949=1 HB2 ARG 140 - QD1 LEU 132 OK 10 81 - 12 - 2.9/10422=1 HB3 PRO 98 - QD1 LEU 132 lone 6 72 - 9 - Peak 4514 from aliabs.peaks (1.38, 0.60, 23.67 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 2.1=100 HB2 LEU 69 - QD1 LEU 132 OK 43 96 - 45 - 3.2/8474=9, 4514=7...(20) HB3 LEU 39 - QD1 LEU 132 OK 42 100 - 42 - 4514=6, 4506/2.1=5...(19) HB VAL 82 - QD1 LEU 132 OK 28 68 - 41 - ~8816=5, ~11009=5...(17) HG2 LYS 86 - QD1 LEU 132 OK 24 72 - 33 - 4514=4, 4506/2.1=3...(14) HB3 ARG 49 - QD1 LEU 132 OK 22 72 - 30 - 4506/2.1=3, 3.0/4514=3...(15) HB2 ARG 109 - QD1 LEU 132 OK 17 77 - 22 - 4514=3, 3.6/9581=3...(6) Peak 4515 from aliabs.peaks (0.41, 0.60, 23.67 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 132 + QD1 LEU 132 OK 100 100 - 100 - 2.1=100 Peak 4516 from aliabs.peaks (0.60, 0.60, 23.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 132 + QD1 LEU 132 OK 100 100 - 100 Peak 4519 from aliabs.peaks (3.84, 3.84, 58.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 133 + HA GLN 133 OK 100 100 - 100 Peak 4520 from aliabs.peaks (2.14, 3.84, 58.15 ppm; 3.22 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 133 + HA GLN 133 OK 100 100 - 100 - 3.0=100 HB3 GLN 133 + HA GLN 133 OK 100 100 - 100 - 3.0=100 HG3 PRO 118 + HA GLN 133 OK 67 100 - 67 - 3977=8, 2.3/4528=7...(40) HG LEU 29 - HA GLN 133 OK 28 68 - 41 - 2.1/9616=10, 3.0/9614=6...(17) HB VAL 53 - HA GLN 133 poor 8 72 - 11 - 2.1/9617=4, ~9622=2, ~7678=1 HG2 GLU 81 - HA GLN 133 lone 6 85 - 7 - HB2 GLU 75 - HA GLN 133 lone 5 72 - 7 - 3.0/8640=1, 3.0/8645=1 HG2 GLN 111 - HA GLN 133 lone 3 62 - 5 - Peak 4521 from aliabs.peaks (2.14, 3.84, 58.15 ppm; 3.22 A): 3 out of 7 assignments used, quality = 1.00: * HB3 GLN 133 + HA GLN 133 OK 100 100 - 100 - 3.0=100 HB2 GLN 133 + HA GLN 133 OK 100 100 - 100 - 3.0=100 HG3 PRO 118 + HA GLN 133 OK 67 100 - 67 - 3977=8, 2.3/4528=7...(40) HG LEU 29 - HA GLN 133 OK 30 72 - 41 - 2.1/9616=10, 3.0/9614=6...(17) HB VAL 53 - HA GLN 133 poor 8 68 - 11 - 2.1/9617=4, ~9622=2, ~7678=1 HG2 GLU 81 - HA GLN 133 lone 7 89 - 8 - HB2 GLU 75 - HA GLN 133 lone 5 68 - 7 - 3.0/8640=1, 3.0/8645=1 Peak 4522 from aliabs.peaks (2.42, 3.84, 58.15 ppm; 3.35 A): 3 out of 9 assignments used, quality = 1.00: * HG2 GLN 133 + HA GLN 133 OK 91 100 - 91 - 4.0=59, 3.5/4525=15...(29) HG3 GLN 133 + HA GLN 133 OK 91 100 - 91 - 4.0=59, 3.5/4525=15...(29) HB3 PRO 118 + HA GLN 133 OK 63 96 - 66 - 1.8/4528=9, 2.3/3977=7...(33) HG3 GLN 47 - HA GLN 133 OK 32 99 - 33 - 4550=3, 4549/2.8=3...(11) HG2 GLN 47 - HA GLN 133 OK 32 99 - 33 - 4550=3, 4549/2.8=3...(11) HG2 MET 68 - HA GLN 133 OK 16 85 - 19 - 2.9/9613=3, 4.4/6663=2...(6) QE MET 46 - HA GLN 133 lone 9 100 - 9 - 10694/4.9=1 HB3 PRO 33 - HA GLN 133 lone 3 72 - 4 - HB ILE 91 - HA GLN 133 lone 3 62 - 4 - 3.2/8990=1 Peak 4523 from aliabs.peaks (2.42, 3.84, 58.15 ppm; 3.35 A): 3 out of 9 assignments used, quality = 1.00: HG2 GLN 133 + HA GLN 133 OK 91 100 - 91 - 4.0=59, 3.5/4525=15...(29) * HG3 GLN 133 + HA GLN 133 OK 91 100 - 91 - 4.0=59, 3.5/4525=15...(29) HB3 PRO 118 + HA GLN 133 OK 64 98 - 66 - 1.8/4528=9, 2.3/3977=7...(33) HG3 GLN 47 - HA GLN 133 OK 32 98 - 33 - 4550=3, 4549/2.8=3...(11) HG2 GLN 47 - HA GLN 133 OK 32 98 - 33 - 4550=3, 4549/2.8=3...(11) HG2 MET 68 - HA GLN 133 OK 15 81 - 18 - 2.9/9613=3, 4.4/6663=2...(6) QE MET 46 - HA GLN 133 lone 9 100 - 9 - 10694/4.9=1 HB ILE 91 - HA GLN 133 lone 3 68 - 5 - 3.2/8990=1 HB3 PRO 33 - HA GLN 133 lone 3 68 - 4 - Peak 4528 from aliabs.peaks (1.93, 3.84, 58.15 ppm; 3.56 A): 3 out of 11 assignments used, quality = 0.97: HB2 PRO 118 + HA GLN 133 OK 74 98 - 76 - 2.3/3977=8, 1.8/4523=8...(41) * HB ILE 136 + HA GLN 133 OK 68 100 - 68 - 2.5/9618=16, 4.6/9601=14...(13) HB3 LEU 132 + HA GLN 133 OK 58 100 - 58 - 3.2/9619=10, 3.2/9620=10...(13) HG13 ILE 83 - HA GLN 133 OK 13 96 - 14 - 4528=2, 4471/4.9=1, 7680/2.8=1 HB3 PRO 52 - HA GLN 133 lone 10 100 - 10 - 9606/5.3=2, 9609/5.3=2 HB2 ARG 140 - HA GLN 133 lone 9 92 - 10 - 2.9/9613=1, 9606/5.3=1 HG2 PRO 52 - HA GLN 133 lone 9 100 - 9 - 9606/5.3=2, 9609/5.3=2 HB2 ARG 89 - HA GLN 133 lone 8 100 - 8 - 9606/5.3=1 HG2 PRO 12 - HA GLN 133 lone 6 72 - 9 - HG3 PRO 12 - HA GLN 133 lone 5 77 - 7 - HB2 LYS 86 - HA GLN 133 lone 5 72 - 7 - 7680/2.8=1 Peak 4529 from aliabs.peaks (4.57, 2.14, 27.86 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.93: * HA ASN 130 + HB2 GLN 133 OK 75 100 - 75 - 7674/4.0=26, 4416=22...(10) HA ASN 130 + HB3 GLN 133 OK 74 100 - 75 - 7674/4.0=26, 4416=22...(10) HA MET 59 - HB2 GLN 133 lone 9 98 - 9 - 7674/4.0=4, 7710/4.5=3 HA MET 59 - HB3 GLN 133 lone 9 98 - 9 - 7674/4.0=4, 7710/4.5=3 HA HIS 10 - HB2 GLN 133 lone 1 72 - 2 - HA HIS 10 - HB3 GLN 133 lone 1 72 - 2 - HA LEU 97 - HB3 GLN 133 lone 1 85 - 1 - HA LEU 97 - HB2 GLN 133 lone 1 85 - 1 - Peak 4531 from aliabs.peaks (3.84, 2.14, 27.86 ppm; 3.70 A): 4 out of 12 assignments used, quality = 1.00: * HA GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 3.0=100 HD2 PRO 118 + HB2 GLN 133 OK 60 72 - 82 - 2.3/3968=10, ~3968=7...(61) HD2 PRO 118 + HB3 GLN 133 OK 59 72 - 82 - 2.3/3968=10, ~3968=7...(61) HA LEU 66 - HB2 GLN 133 OK 17 99 - 17 - 7684/4.0=2, ~6637=2...(8) HA LEU 66 - HB3 GLN 133 OK 17 99 - 17 - 7684/4.0=2, ~6637=2...(8) HA ALA 104 - HB2 GLN 133 OK 14 99 - 14 - 7715/4.5=2, ~3405=2...(6) HA ALA 104 - HB3 GLN 133 OK 14 99 - 14 - 7715/4.5=2, ~3405=2...(6) HB2 SER 100 - HB2 GLN 133 poor 10 85 - 11 - 7684/4.0=2, 7715/4.5=1 HB2 SER 100 - HB3 GLN 133 poor 9 85 - 11 - 7684/4.0=2, 7715/4.5=1 HB2 SER 127 - HB2 GLN 133 lone 9 100 - 9 - ~4326=2 HB2 SER 127 - HB3 GLN 133 lone 9 100 - 9 - ~4326=2 Peak 4532 from aliabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 Peak 4533 from aliabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 Reference assignment not found: HB3 GLN 133 - HB2 GLN 133 Peak 4534 from aliabs.peaks (2.42, 2.14, 27.86 ppm; 3.01 A): 6 out of 18 assignments used, quality = 1.00: * HG2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HG3 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HG2 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HG3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HB3 PRO 118 + HB2 GLN 133 OK 69 96 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HB3 PRO 118 + HB3 GLN 133 OK 68 96 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HG3 GLN 47 - HB2 GLN 133 OK 33 99 - 34 - 4551=2, 4522/3.0=2...(12) HG2 GLN 47 - HB2 GLN 133 OK 33 99 - 34 - 4551=2, 4522/3.0=2...(12) HG2 GLN 47 - HB3 GLN 133 OK 33 99 - 34 - 4552=2, 4522/3.0=2...(12) HG3 GLN 47 - HB3 GLN 133 OK 33 99 - 34 - 4552=2, 4522/3.0=2...(12) HG2 MET 68 - HB2 GLN 133 poor 10 85 - 11 - 4522/3.0=1 HG2 MET 68 - HB3 GLN 133 poor 10 85 - 11 - 4522/3.0=1 QE MET 46 - HB2 GLN 133 lone 7 100 - 7 - QE MET 46 - HB3 GLN 133 lone 7 100 - 7 - HB3 PRO 33 - HB2 GLN 133 lone 3 72 - 4 - HB3 PRO 33 - HB3 GLN 133 lone 3 72 - 4 - HB ILE 91 - HB2 GLN 133 lone 1 62 - 2 - HB ILE 91 - HB3 GLN 133 lone 1 62 - 2 - Peak 4535 from aliabs.peaks (2.42, 2.14, 27.86 ppm; 3.01 A): 6 out of 18 assignments used, quality = 1.00: * HG3 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HG2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HG3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HG2 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HB3 PRO 118 + HB2 GLN 133 OK 70 98 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HB3 PRO 118 + HB3 GLN 133 OK 70 98 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HG3 GLN 47 - HB2 GLN 133 OK 33 98 - 34 - 4551=2, 4522/3.0=2...(12) HG2 GLN 47 - HB2 GLN 133 OK 33 98 - 34 - 4551=2, 4522/3.0=2...(12) HG2 GLN 47 - HB3 GLN 133 OK 33 98 - 34 - 4552=2, 4522/3.0=2...(12) HG3 GLN 47 - HB3 GLN 133 OK 33 98 - 34 - 4552=2, 4522/3.0=2...(12) HG2 MET 68 - HB2 GLN 133 poor 9 81 - 11 - 4522/3.0=1 HG2 MET 68 - HB3 GLN 133 poor 9 81 - 11 - 4522/3.0=1 QE MET 46 - HB2 GLN 133 lone 7 100 - 7 - QE MET 46 - HB3 GLN 133 lone 7 100 - 7 - HB3 PRO 33 - HB2 GLN 133 lone 3 68 - 4 - HB3 PRO 33 - HB3 GLN 133 lone 3 67 - 4 - HB ILE 91 - HB2 GLN 133 lone 1 68 - 2 - HB ILE 91 - HB3 GLN 133 lone 1 67 - 2 - Peak 4539 from aliabs.peaks (4.57, 2.14, 27.86 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.93: * HA ASN 130 + HB3 GLN 133 OK 74 100 - 75 - 7674/4.0=26, 4416=22...(10) HA ASN 130 + HB2 GLN 133 OK 74 100 - 75 - 7674/4.0=26, 4416=22...(10) HA MET 59 - HB3 GLN 133 lone 9 98 - 9 - 7674/4.0=4, 7710/4.5=3 HA MET 59 - HB2 GLN 133 lone 9 98 - 9 - 7674/4.0=4, 7710/4.5=3 HA HIS 10 - HB3 GLN 133 lone 1 72 - 2 - HA HIS 10 - HB2 GLN 133 lone 1 72 - 2 - HA LEU 97 - HB3 GLN 133 lone 1 85 - 1 - HA LEU 97 - HB2 GLN 133 lone 1 85 - 1 - Peak 4541 from aliabs.peaks (3.84, 2.14, 27.86 ppm; 3.70 A): 4 out of 12 assignments used, quality = 1.00: * HA GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 3.0=100 HA GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 3.0=100 HD2 PRO 118 + HB3 GLN 133 OK 60 72 - 82 - 2.3/3968=10, ~3968=7...(61) HD2 PRO 118 + HB2 GLN 133 OK 59 72 - 82 - 2.3/3968=10, ~3968=7...(61) HA LEU 66 - HB3 GLN 133 OK 17 99 - 17 - 7684/4.0=2, ~6637=2...(8) HA LEU 66 - HB2 GLN 133 OK 17 99 - 17 - 7684/4.0=2, ~6637=2...(8) HA ALA 104 - HB3 GLN 133 OK 14 99 - 14 - 7715/4.5=2, ~3405=2...(6) HA ALA 104 - HB2 GLN 133 OK 14 99 - 14 - 7715/4.5=2, ~3405=2...(6) HB2 SER 100 - HB3 GLN 133 poor 9 85 - 11 - 7684/4.0=2, 7715/4.5=1 HB2 SER 100 - HB2 GLN 133 poor 9 85 - 11 - 7684/4.0=2, 7715/4.5=1 HB2 SER 127 - HB3 GLN 133 lone 9 100 - 9 - ~4326=2 HB2 SER 127 - HB2 GLN 133 lone 9 100 - 9 - ~4326=2 Peak 4542 from aliabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 Reference assignment not found: HB2 GLN 133 - HB3 GLN 133 Peak 4543 from aliabs.peaks (2.14, 2.14, 27.86 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 HB2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 Peak 4544 from aliabs.peaks (2.42, 2.14, 27.86 ppm; 3.01 A): 6 out of 18 assignments used, quality = 1.00: * HG2 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HG3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HG2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HG3 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HB3 PRO 118 + HB3 GLN 133 OK 69 96 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HB3 PRO 118 + HB2 GLN 133 OK 68 96 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HG3 GLN 47 - HB3 GLN 133 OK 33 99 - 34 - 4552=2, 4522/3.0=2...(12) HG2 GLN 47 - HB3 GLN 133 OK 33 99 - 34 - 4552=2, 4522/3.0=2...(12) HG2 GLN 47 - HB2 GLN 133 OK 33 99 - 34 - 4551=2, 4522/3.0=2...(12) HG3 GLN 47 - HB2 GLN 133 OK 33 99 - 34 - 4551=2, 4522/3.0=2...(12) HG2 MET 68 - HB3 GLN 133 poor 10 85 - 11 - 4522/3.0=1 HG2 MET 68 - HB2 GLN 133 poor 10 85 - 11 - 4522/3.0=1 QE MET 46 - HB2 GLN 133 lone 7 100 - 7 - QE MET 46 - HB3 GLN 133 lone 7 100 - 7 - HB3 PRO 33 - HB3 GLN 133 lone 3 72 - 4 - HB3 PRO 33 - HB2 GLN 133 lone 3 72 - 4 - HB ILE 91 - HB3 GLN 133 lone 1 62 - 2 - HB ILE 91 - HB2 GLN 133 lone 1 62 - 2 - Peak 4545 from aliabs.peaks (2.42, 2.14, 27.86 ppm; 3.01 A): 6 out of 18 assignments used, quality = 1.00: * HG3 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HG2 GLN 133 + HB3 GLN 133 OK 100 100 - 100 - 2.9=100 HG3 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HG2 GLN 133 + HB2 GLN 133 OK 100 100 - 100 - 2.9=100 HB3 PRO 118 + HB3 GLN 133 OK 70 98 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HB3 PRO 118 + HB2 GLN 133 OK 69 98 - 71 - 2.3/3968=7, 1.8/3952=4...(46) HG3 GLN 47 - HB3 GLN 133 OK 33 98 - 34 - 4552=2, 4522/3.0=2...(12) HG2 GLN 47 - HB3 GLN 133 OK 33 98 - 34 - 4552=2, 4522/3.0=2...(12) HG2 GLN 47 - HB2 GLN 133 OK 33 98 - 34 - 4551=2, 4522/3.0=2...(12) HG3 GLN 47 - HB2 GLN 133 OK 33 98 - 34 - 4551=2, 4522/3.0=2...(12) HG2 MET 68 - HB3 GLN 133 poor 9 81 - 11 - 4522/3.0=1 HG2 MET 68 - HB2 GLN 133 poor 9 81 - 11 - 4522/3.0=1 QE MET 46 - HB3 GLN 133 lone 7 100 - 7 - QE MET 46 - HB2 GLN 133 lone 7 100 - 7 - HB3 PRO 33 - HB3 GLN 133 lone 3 68 - 4 - HB3 PRO 33 - HB2 GLN 133 lone 3 67 - 4 - HB ILE 91 - HB3 GLN 133 lone 1 68 - 2 - HB ILE 91 - HB2 GLN 133 lone 1 67 - 2 - Peak 4550 from aliabs.peaks (3.84, 2.42, 33.16 ppm; 3.03 A): 2 out of 24 assignments used, quality = 0.97: * HA GLN 133 + HG2 GLN 133 OK 83 100 - 83 - 4.0=44, 4525/3.5=12...(29) HA GLN 133 + HG3 GLN 133 OK 83 100 - 83 - 4.0=44, 4525/3.5=12...(29) HD2 PRO 118 - HG2 GLN 133 OK 36 72 - 50 - 2.3/3966=4, 2.3/3974=3...(31) HD2 PRO 118 - HG3 GLN 133 OK 36 72 - 50 - 2.3/3966=4, 2.3/3974=3...(31) HA GLN 133 - HG2 GLN 47 OK 27 95 - 28 - 4522=4, 4522/1.8=3...(10) HA GLN 133 - HG3 GLN 47 OK 27 95 - 28 - 4522=4, 4522/1.8=3...(10) HD2 PRO 118 - HG3 GLN 47 OK 11 65 - 18 - 2.3/3966=1, 1.8/3934=1...(4) HD2 PRO 118 - HG2 GLN 47 OK 11 65 - 18 - 2.3/3966=1, 1.8/3934=1...(4) HA LEU 66 - HG2 GLN 133 poor 10 99 - 10 - 4.0/10309=1 HA LEU 66 - HG3 GLN 133 poor 10 99 - 10 - 4.0/10309=1 HA ALA 104 - HG2 GLN 133 lone 8 99 - 8 - HA ALA 104 - HG3 GLN 133 lone 8 99 - 8 - HA ALA 104 - HG2 GLN 47 lone 6 93 - 6 - HA ALA 104 - HG3 GLN 47 lone 6 93 - 6 - HB2 SER 100 - HG2 GLN 133 lone 5 85 - 6 - 7684/4.5=1 HB2 SER 100 - HG3 GLN 133 lone 5 85 - 6 - 7684/4.5=1 HB2 SER 127 - HG2 GLN 133 lone 4 100 - 4 - HB2 SER 127 - HG3 GLN 133 lone 4 100 - 4 - HA LEU 66 - HG2 GLN 47 lone 3 93 - 3 - HA LEU 66 - HG3 GLN 47 lone 3 93 - 3 - HB2 SER 127 - HG3 GLN 47 lone 1 95 - 1 - HB2 SER 127 - HG2 GLN 47 lone 1 95 - 1 - HB2 SER 100 - HG3 GLN 47 lone 1 77 - 1 - HB2 SER 100 - HG2 GLN 47 lone 1 77 - 1 - Peak 4551 from aliabs.peaks (2.14, 2.42, 33.16 ppm; 2.53 A): 4 out of 32 assignments used, quality = 1.00: * HB2 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HB3 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HB2 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HB3 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HG3 PRO 118 - HG2 GLN 133 OK 40 100 - 41 - 1.8/3966=3, 3977/4.0=3...(24) HG3 PRO 118 - HG3 GLN 133 OK 40 100 - 40 - 1.8/3966=3, 3977/4.0=3...(24) HB2 GLN 133 - HG3 GLN 47 OK 23 95 - 24 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 23 95 - 24 - 4534=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 23 95 - 24 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG3 GLN 47 OK 23 95 - 24 - 4544=2, 3.0/4522=1...(5) HG LEU 29 - HG2 GLN 133 OK 14 68 - 21 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG3 GLN 133 OK 14 67 - 22 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 OK 11 95 - 12 - HG3 PRO 118 - HG2 GLN 47 OK 11 95 - 12 - HB VAL 53 - HG2 GLN 133 lone 6 72 - 9 - 2.1/8185=1, ~8185=1, ~9847=1 HB VAL 53 - HG3 GLN 133 lone 6 72 - 8 - 2.1/9847=1, ~8185=1, ~9847=1 HG2 GLU 81 - HG2 GLN 133 lone 3 85 - 3 - HG2 GLU 81 - HG3 GLN 133 lone 3 85 - 3 - HB VAL 53 - HG2 GLN 47 lone 2 65 - 3 - HB VAL 53 - HG3 GLN 47 lone 2 65 - 3 - HG LEU 29 - HG3 GLN 47 lone 1 60 - 2 - HG LEU 29 - HG2 GLN 47 lone 1 60 - 2 - HG2 GLN 111 - HG2 GLN 133 lone 1 62 - 2 - HG2 GLN 111 - HG3 GLN 133 lone 1 62 - 2 - HB2 GLU 75 - HG2 GLN 133 lone 1 72 - 1 - HB2 GLU 75 - HG3 GLN 133 lone 1 72 - 1 - HB2 GLU 75 - HG2 GLN 47 lone 0 65 - 1 - HB2 GLU 75 - HG3 GLN 47 lone 0 65 - 1 - HG2 GLU 81 - HG3 GLN 47 lone 0 77 - 0 - HG2 GLU 81 - HG2 GLN 47 lone 0 77 - 0 - HG2 GLN 111 - HG3 GLN 47 lone 0 55 - 1 - HG2 GLN 111 - HG2 GLN 47 lone 0 55 - 1 - Peak 4552 from aliabs.peaks (2.14, 2.42, 33.16 ppm; 2.53 A): 4 out of 28 assignments used, quality = 1.00: * HB3 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HB2 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HB3 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HB2 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HG3 PRO 118 - HG2 GLN 133 OK 41 100 - 41 - 1.8/3966=3, 3977/4.0=3...(24) HG3 PRO 118 - HG3 GLN 133 OK 40 100 - 40 - 1.8/3966=3, 3977/4.0=3...(24) HB3 GLN 133 - HG3 GLN 47 OK 23 95 - 24 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 23 95 - 24 - 4544=2, 3.0/4522=1...(5) HB2 GLN 133 - HG3 GLN 47 OK 23 95 - 24 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 23 95 - 24 - 4534=2, 3.0/4522=1...(5) HG LEU 29 - HG2 GLN 133 OK 16 72 - 22 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG3 GLN 133 OK 16 72 - 22 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 OK 11 95 - 12 - HG3 PRO 118 - HG2 GLN 47 OK 11 95 - 12 - HB VAL 53 - HG2 GLN 133 lone 6 68 - 9 - 2.1/8185=1, ~8185=1, ~9847=1 HB VAL 53 - HG3 GLN 133 lone 6 67 - 8 - 2.1/9847=1, ~8185=1, ~9847=1 HG2 GLU 81 - HG2 GLN 133 lone 3 89 - 3 - HG2 GLU 81 - HG3 GLN 133 lone 3 88 - 3 - HB VAL 53 - HG2 GLN 47 lone 2 60 - 3 - HB VAL 53 - HG3 GLN 47 lone 2 60 - 3 - HG LEU 29 - HG2 GLN 47 lone 2 65 - 2 - HG LEU 29 - HG3 GLN 47 lone 2 65 - 2 - HB2 GLU 75 - HG2 GLN 133 lone 1 68 - 1 - HB2 GLU 75 - HG3 GLN 133 lone 1 67 - 1 - HG2 GLU 81 - HG2 GLN 47 lone 0 81 - 0 - HG2 GLU 81 - HG3 GLN 47 lone 0 81 - 0 - HB2 GLU 75 - HG2 GLN 47 lone 0 60 - 0 - HB2 GLU 75 - HG3 GLN 47 lone 0 60 - 0 - Peak 4553 from aliabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 93 93 - 100 HG3 GLN 47 + HG3 GLN 47 OK 93 93 - 100 Peak 4554 from aliabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 91 91 - 100 HG3 GLN 47 + HG3 GLN 47 OK 91 91 - 100 Reference assignment not found: HG3 GLN 133 - HG2 GLN 133 Peak 4559 from aliabs.peaks (3.84, 2.42, 33.16 ppm; 3.03 A): 2 out of 24 assignments used, quality = 0.97: * HA GLN 133 + HG3 GLN 133 OK 83 100 - 83 - 4.0=44, 4525/3.5=12...(29) HA GLN 133 + HG2 GLN 133 OK 83 100 - 83 - 4.0=44, 4525/3.5=12...(29) HD2 PRO 118 - HG3 GLN 133 OK 36 72 - 50 - 2.3/3966=4, 2.3/3974=3...(31) HD2 PRO 118 - HG2 GLN 133 OK 36 72 - 50 - 2.3/3966=4, 2.3/3974=3...(31) HA GLN 133 - HG2 GLN 47 OK 26 92 - 28 - 4522=4, 4522/1.8=3...(10) HA GLN 133 - HG3 GLN 47 OK 26 92 - 28 - 4522=4, 4522/1.8=3...(10) HD2 PRO 118 - HG2 GLN 47 OK 11 61 - 18 - 2.3/3966=1, 1.8/3934=1...(4) HD2 PRO 118 - HG3 GLN 47 OK 11 61 - 18 - 2.3/3966=1, 1.8/3934=1...(4) HA LEU 66 - HG3 GLN 133 poor 10 99 - 10 - 4.0/10309=1 HA LEU 66 - HG2 GLN 133 poor 10 99 - 10 - 4.0/10309=1 HA ALA 104 - HG3 GLN 133 lone 8 99 - 8 - HA ALA 104 - HG2 GLN 133 lone 8 99 - 8 - HA ALA 104 - HG2 GLN 47 lone 5 89 - 6 - HA ALA 104 - HG3 GLN 47 lone 5 89 - 6 - HB2 SER 100 - HG3 GLN 133 lone 5 85 - 6 - 7684/4.5=1 HB2 SER 100 - HG2 GLN 133 lone 5 85 - 6 - 7684/4.5=1 HB2 SER 127 - HG3 GLN 133 lone 4 100 - 4 - HB2 SER 127 - HG2 GLN 133 lone 4 100 - 4 - HA LEU 66 - HG2 GLN 47 lone 3 89 - 3 - HA LEU 66 - HG3 GLN 47 lone 3 89 - 3 - HB2 SER 127 - HG3 GLN 47 lone 1 91 - 1 - HB2 SER 127 - HG2 GLN 47 lone 1 91 - 1 - HB2 SER 100 - HG3 GLN 47 lone 1 73 - 1 - HB2 SER 100 - HG2 GLN 47 lone 1 73 - 1 - Peak 4560 from aliabs.peaks (2.14, 2.42, 33.16 ppm; 2.53 A): 4 out of 32 assignments used, quality = 1.00: * HB2 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HB3 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HB2 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HB3 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HG3 PRO 118 - HG2 GLN 133 OK 40 100 - 41 - 1.8/3966=3, 3977/4.0=3...(24) HG3 PRO 118 - HG3 GLN 133 OK 40 100 - 40 - 1.8/3966=3, 3977/4.0=3...(24) HB2 GLN 133 - HG2 GLN 47 OK 22 92 - 24 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG3 GLN 47 OK 22 92 - 24 - 4534=2, 3.0/4522=1...(5) HB3 GLN 133 - HG3 GLN 47 OK 22 92 - 24 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 22 92 - 24 - 4544=2, 3.0/4522=1...(5) HG LEU 29 - HG3 GLN 133 OK 15 68 - 22 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG2 GLN 133 OK 14 67 - 21 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 OK 11 91 - 12 - 1.8/3966=1 HG3 PRO 118 - HG2 GLN 47 OK 11 91 - 12 - 1.8/3966=1 HB VAL 53 - HG2 GLN 133 lone 6 72 - 9 - 2.1/9847=1, ~8185=1, ~9847=1 HB VAL 53 - HG3 GLN 133 lone 6 72 - 8 - 2.1/9847=1, ~8185=1, ~9847=1 HG2 GLU 81 - HG3 GLN 133 lone 3 85 - 3 - HG2 GLU 81 - HG2 GLN 133 lone 3 85 - 3 - HB VAL 53 - HG2 GLN 47 lone 2 61 - 3 - HB VAL 53 - HG3 GLN 47 lone 2 61 - 3 - HG LEU 29 - HG2 GLN 47 lone 1 56 - 2 - HG LEU 29 - HG3 GLN 47 lone 1 56 - 2 - HG2 GLN 111 - HG3 GLN 133 lone 1 62 - 2 - HG2 GLN 111 - HG2 GLN 133 lone 1 62 - 2 - HB2 GLU 75 - HG2 GLN 133 lone 1 72 - 1 - HB2 GLU 75 - HG3 GLN 133 lone 1 72 - 1 - HB2 GLU 75 - HG2 GLN 47 lone 0 61 - 1 - HB2 GLU 75 - HG3 GLN 47 lone 0 61 - 1 - HG2 GLU 81 - HG3 GLN 47 lone 0 73 - 0 - HG2 GLU 81 - HG2 GLN 47 lone 0 73 - 0 - HG2 GLN 111 - HG2 GLN 47 lone 0 52 - 1 - HG2 GLN 111 - HG3 GLN 47 lone 0 52 - 1 - Peak 4561 from aliabs.peaks (2.14, 2.42, 33.16 ppm; 2.53 A): 4 out of 28 assignments used, quality = 1.00: * HB3 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HB2 GLN 133 + HG3 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HB3 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 4545/1.8=4...(22) HB2 GLN 133 + HG2 GLN 133 OK 79 100 - 79 - 2.9=64, 1.8/4545=4...(22) HG3 PRO 118 - HG2 GLN 133 OK 40 100 - 41 - 1.8/3966=3, 3977/4.0=3...(24) HG3 PRO 118 - HG3 GLN 133 OK 40 100 - 40 - 1.8/3966=3, 3977/4.0=3...(24) HB3 GLN 133 - HG3 GLN 47 OK 22 92 - 24 - 4544=2, 3.0/4522=1...(5) HB3 GLN 133 - HG2 GLN 47 OK 22 92 - 24 - 4544=2, 3.0/4522=1...(5) HB2 GLN 133 - HG2 GLN 47 OK 22 92 - 24 - 4534=2, 3.0/4522=1...(5) HB2 GLN 133 - HG3 GLN 47 OK 22 92 - 24 - 4534=2, 3.0/4522=1...(5) HG LEU 29 - HG3 GLN 133 OK 16 72 - 22 - 2.1/8066=4, ~8066=2...(7) HG LEU 29 - HG2 GLN 133 OK 15 72 - 22 - 2.1/8066=4, ~8066=2...(7) HG3 PRO 118 - HG3 GLN 47 OK 11 92 - 12 - 1.8/3966=1 HG3 PRO 118 - HG2 GLN 47 OK 11 92 - 12 - 1.8/3966=1 HB VAL 53 - HG2 GLN 133 lone 6 67 - 9 - 2.1/9847=1, ~8185=1, ~9847=1 HB VAL 53 - HG3 GLN 133 lone 6 68 - 8 - 2.1/9847=1, ~8185=1, ~9847=1 HG2 GLU 81 - HG3 GLN 133 lone 3 89 - 3 - HG2 GLU 81 - HG2 GLN 133 lone 3 88 - 3 - HB VAL 53 - HG2 GLN 47 lone 2 56 - 3 - HB VAL 53 - HG3 GLN 47 lone 2 56 - 3 - HG LEU 29 - HG3 GLN 47 lone 1 61 - 2 - HG LEU 29 - HG2 GLN 47 lone 1 61 - 2 - HB2 GLU 75 - HG3 GLN 133 lone 1 68 - 1 - HB2 GLU 75 - HG2 GLN 133 lone 1 67 - 1 - HG2 GLU 81 - HG2 GLN 47 lone 0 77 - 0 - HG2 GLU 81 - HG3 GLN 47 lone 0 77 - 0 - HB2 GLU 75 - HG2 GLN 47 lone 0 56 - 0 - HB2 GLU 75 - HG3 GLN 47 lone 0 56 - 0 - Peak 4562 from aliabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 89 89 - 100 HG3 GLN 47 + HG3 GLN 47 OK 89 89 - 100 Reference assignment not found: HG2 GLN 133 - HG3 GLN 133 Peak 4563 from aliabs.peaks (2.42, 2.42, 33.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 133 + HG3 GLN 133 OK 100 100 - 100 HG2 GLN 133 + HG2 GLN 133 OK 100 100 - 100 HG2 GLN 47 + HG2 GLN 47 OK 87 87 - 100 HG3 GLN 47 + HG3 GLN 47 OK 87 87 - 100 Peak 4568 from aliabs.peaks (4.21, 4.21, 54.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 134 + HA ALA 134 OK 100 100 - 100 Peak 4569 from aliabs.peaks (1.48, 4.21, 54.28 ppm; 2.56 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 134 + HA ALA 134 OK 100 100 - 100 - 2.1=100 HG13 ILE 101 - HA ALA 134 OK 31 89 - 35 - 2.1/3361=4, 3353=4...(17) HB3 LEU 29 - HA ALA 134 OK 25 100 - 25 - 7723/2.8=4, 7733/3.6=3...(10) HD3 LYS 114 - HA ALA 134 OK 11 92 - 12 - 3.0/4573=1, 7723/2.8=1 HB2 LYS 76 - HA ALA 134 OK 10 92 - 11 - ~10321=2, ~4574=1, ~4574=1 Peak 4572 from aliabs.peaks (2.69, 4.21, 54.28 ppm; 3.55 A): 2 out of 5 assignments used, quality = 0.79: * HB2 ASP 137 + HA ALA 134 OK 72 100 - 72 - 4651=22, 10323/2.1=20...(9) HB2 PHE 43 + HA ALA 134 OK 24 89 - 27 - 10323/2.1=7, 1.8/4573=7...(8) HB3 TYR 115 - HA ALA 134 lone 6 98 - 7 - 10323/2.1=2, ~10324=2 HB2 ASP 32 - HA ALA 134 lone 2 100 - 2 - HB3 CYS 121 - HA ALA 134 lone 1 68 - 1 - Peak 4573 from aliabs.peaks (2.76, 4.21, 54.28 ppm; 3.36 A): 5 out of 12 assignments used, quality = 0.89: * HB3 ASP 137 + HA ALA 134 OK 70 100 - 70 - 1.8/4572=23, 4657=18...(10) HE2 LYS 76 + HA ALA 134 OK 26 100 - 26 - 9641/2.1=5, ~9641=4...(11) HE3 LYS 76 + HA ALA 134 OK 26 100 - 26 - 9641/2.1=6, ~9641=3...(10) HB3 PHE 43 + HA ALA 134 OK 20 72 - 28 - 1.8/4572=8, ~11632=7...(7) HE2 LYS 114 + HA ALA 134 OK 14 98 - 15 - 9641/2.1=4, 3.0/4569=2...(6) HG3 MET 113 - HA ALA 134 lone 5 85 - 5 - HB2 ASN 96 - HA ALA 134 lone 4 68 - 6 - 3.0/9085=2, 9081/9651=1 HB3 ASP 40 - HA ALA 134 lone 3 98 - 3 - HB2 ASN 54 - HA ALA 134 lone 1 68 - 2 - HB2 ASP 41 - HA ALA 134 lone 1 68 - 1 - HB3 ASP 16 - HA ALA 134 lone 1 62 - 1 - HB2 PHE 38 - HA ALA 134 lone 1 92 - 1 - Peak 4574 from aliabs.peaks (4.14, 1.48, 17.85 ppm; 2.71 A): 2 out of 5 assignments used, quality = 0.59: * HA GLU 131 + QB ALA 134 OK 54 100 - 54 - 4439=23, 7711/2.9=11...(9) HA LYS 76 + QB ALA 134 OK 12 77 - 15 - 2.9/10321=3, 7711/2.9=3...(4) HA LEU 126 - QB ALA 134 lone 8 98 - 8 - 7727/3.7=2, 7711/2.9=2 HA3 GLY 125 - QB ALA 134 lone 3 85 - 3 - HB3 SER 44 - QB ALA 134 lone 1 62 - 1 - Peak 4576 from aliabs.peaks (4.21, 1.48, 17.85 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 134 + QB ALA 134 OK 100 100 - 100 - 2.1=100 HA ILE 101 - QB ALA 134 OK 21 100 - 22 - 7722/2.9=3, 3325=3...(10) HA PHE 43 - QB ALA 134 poor 7 62 - 12 - 3.0/11632=3, 3.0/9641=2...(6) HA LYS 93 - QB ALA 134 lone 6 85 - 8 - 4.9/9637=1 HA THR 102 - QB ALA 134 lone 5 100 - 5 - HA PHE 45 - QB ALA 134 lone 3 98 - 3 - HA PHE 67 - QB ALA 134 lone 1 85 - 2 - Peak 4577 from aliabs.peaks (1.48, 1.48, 17.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 134 + QB ALA 134 OK 100 100 - 100 Peak 4580 from aliabs.peaks (4.26, 4.26, 54.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 135 + HA ALA 135 OK 100 100 - 100 Peak 4581 from aliabs.peaks (1.54, 4.26, 54.53 ppm; 2.88 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 135 + HA ALA 135 OK 100 100 - 100 - 2.1=100 HB2 LEU 29 - HA ALA 135 OK 18 99 - 18 - 7735/2.8=3, ~7733=2...(7) HB3 LEU 79 - HA ALA 135 OK 15 81 - 18 - ~9631=5, ~9646=3...(8) HG3 LYS 76 - HA ALA 135 OK 14 98 - 14 - 7735/2.8=2, 7745/3.6=2 HD2 LYS 76 - HA ALA 135 OK 13 96 - 14 - 7735/2.8=2, 7745/3.6=2, ~9645=1 HB2 GLU 122 - HA ALA 135 lone 8 89 - 9 - 3.0/4585=1, ~4075=1 HG2 LYS 93 - HA ALA 135 lone 8 100 - 8 - 7745/3.6=1, 7735/2.8=1 HG3 LYS 85 - HA ALA 135 lone 6 89 - 7 - Peak 4584 from aliabs.peaks (4.00, 4.26, 54.53 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.65: * HB2 SER 138 + HA ALA 135 OK 41 100 - 41 - 4.0/4583=14, 4668=6...(11) HB3 SER 138 + HA ALA 135 OK 41 100 - 41 - 4.0/4583=14, 4674=6...(11) HB3 SER 127 - HA ALA 135 lone 9 100 - 9 - ~9653=2, 10353/3.6=2...(4) HB3 SER 100 - HA ALA 135 lone 5 62 - 9 - ~9653=2, 10473/4.9=2...(5) HA GLU 122 - HA ALA 135 lone 4 62 - 7 - 3.0/4581=1, ~4075=1 HA LEU 69 - HA ALA 135 lone 3 81 - 4 - HA LYS 114 - HA ALA 135 lone 3 100 - 3 - HA MET 113 - HA ALA 135 lone 1 100 - 1 - HB2 SER 103 - HA ALA 135 lone 1 62 - 1 - Peak 4585 from aliabs.peaks (4.00, 4.26, 54.53 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.65: * HB3 SER 138 + HA ALA 135 OK 41 100 - 41 - 4.0/4583=14, 4674=6...(11) HB2 SER 138 + HA ALA 135 OK 41 100 - 41 - 4.0/4583=14, 4674=6...(11) HB3 SER 127 - HA ALA 135 lone 9 100 - 9 - ~9653=2, 10353/3.6=2...(4) HB3 SER 100 - HA ALA 135 lone 6 68 - 9 - ~9653=2, 10473/4.9=2...(5) HA GLU 122 - HA ALA 135 lone 5 68 - 7 - 3.0/4581=1, ~4075=1 HA LEU 69 - HA ALA 135 lone 3 85 - 4 - HA LYS 114 - HA ALA 135 lone 3 100 - 3 - HA MET 113 - HA ALA 135 lone 1 100 - 1 - HB2 SER 103 - HA ALA 135 lone 1 68 - 1 - Peak 4586 from aliabs.peaks (4.08, 1.54, 18.21 ppm; 3.25 A): 5 out of 6 assignments used, quality = 0.85: * HA LEU 132 + QB ALA 135 OK 66 100 - 66 - 4477=20, 2.9/9626=14...(13) HA GLU 90 + QB ALA 135 OK 26 100 - 26 - 5.0/9654=10, 4586=8...(4) HD3 PRO 118 + QB ALA 135 OK 18 77 - 24 - 2.3/9655=5, 3.0/9644=4...(7) HA LYS 34 + QB ALA 135 OK 18 100 - 18 - 4586=5, 3.0/10452=4, 7728/2.9=2 HA VAL 53 + QB ALA 135 OK 11 100 - 11 - 4586=3, 7728/2.9=1, 4511/9628=1 HA LEU 26 - QB ALA 135 poor 8 62 - 12 - 4586=4, 7728/2.9=1 Peak 4588 from aliabs.peaks (4.26, 1.54, 18.21 ppm; 2.54 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 135 + QB ALA 135 OK 100 100 - 100 - 2.1=100 HA SER 138 - QB ALA 135 OK 35 96 - 36 - 4588=10, ~4583=4...(11) HB THR 99 - QB ALA 135 lone 10 96 - 10 - 2.1/9626=3, 4588=3 HA LEU 95 - QB ALA 135 poor 8 72 - 11 - 4588=3, 4.3/9643=2, 3.9/9627=2 HA ARG 49 - QB ALA 135 lone 6 96 - 6 - 5.2/10325=1, 4588=1 HA2 GLY 50 - QB ALA 135 lone 3 92 - 4 - HB THR 92 - QB ALA 135 lone 3 81 - 3 - HA GLU 142 - QB ALA 135 lone 1 72 - 1 - Peak 4589 from aliabs.peaks (1.54, 1.54, 18.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 135 + QB ALA 135 OK 100 100 - 100 Peak 4592 from aliabs.peaks (3.71, 3.71, 64.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 136 + HA ILE 136 OK 100 100 - 100 Peak 4593 from aliabs.peaks (1.93, 3.71, 64.37 ppm; 3.49 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 136 + HA ILE 136 OK 100 100 - 100 - 3.0=100 HB3 LEU 132 + HA ILE 136 OK 60 100 - 61 - 3.2/9681=7, 4613/3.2=6...(30) HB2 ARG 140 + HA ILE 136 OK 49 92 - 53 - 4.0/7813=6, 4712/5.0=5...(25) HG13 ILE 83 - HA ILE 136 OK 44 96 - 45 - 1.8/9692=11, 3.2/11041=8...(17) HB2 PRO 118 - HA ILE 136 OK 40 98 - 41 - 4613/3.2=3, ~10329=3...(25) HB2 ARG 89 - HA ILE 136 OK 32 100 - 32 - 2862/3.7=3, 4613/3.2=3...(12) HG2 PRO 52 - HA ILE 136 OK 13 100 - 13 - ~11044=2, ~10661=1...(4) HB3 PRO 52 - HA ILE 136 OK 13 100 - 12 - ~11044=1, 4613/3.2=1 HG2 PRO 12 - HA ILE 136 OK 12 72 - 16 - 4593=1, 1.8/4593=1 HG3 PRO 12 - HA ILE 136 OK 11 77 - 14 - HB2 LYS 86 - HA ILE 136 poor 9 72 - 12 - Peak 4594 from aliabs.peaks (0.89, 3.71, 64.37 ppm; 2.96 A): 2 out of 6 assignments used, quality = 0.97: * QG2 ILE 136 + HA ILE 136 OK 95 100 - 95 - 3.2=80, 2.3/4595=16...(26) QG2 ILE 101 + HA ILE 136 OK 41 100 - 41 - 4606/3.0=5, 7748/2.9=4...(17) QD1 ILE 101 - HA ILE 136 OK 39 100 - 39 - 4606/3.0=5, 7748/2.9=4...(19) QG2 ILE 56 - HA ILE 136 OK 26 99 - 26 - 3.1/9681=6, 11204/5.0=3...(10) QD1 LEU 97 - HA ILE 136 OK 20 100 - 20 - 4606/3.0=3, 7748/2.9=2...(6) QG2 VAL 80 - HA ILE 136 OK 12 77 - 15 - 7748/2.9=2, 4606/3.0=2...(4) Peak 4595 from aliabs.peaks (1.00, 3.71, 64.37 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.97: * HG12 ILE 136 + HA ILE 136 OK 97 100 - 97 - 3.7=82, 2.3/4612=21...(22) QD1 LEU 116 - HA ILE 136 OK 43 99 - 44 - 4615/3.2=10, 10227/4.2=9...(8) Peak 4596 from aliabs.peaks (1.67, 3.71, 64.37 ppm; 3.49 A): 1 out of 12 assignments used, quality = 0.98: * HG13 ILE 136 + HA ILE 136 OK 98 100 - 98 - 3.7=82, 1.8/4595=25...(21) HG2 ARG 140 - HA ILE 136 OK 38 77 - 49 - 11574/3.2=5, ~11575=5...(21) HB VAL 71 - HA ILE 136 OK 36 100 - 36 - 2.1/9681=6, 9899/4.2=4...(13) HG2 ARG 89 - HA ILE 136 OK 36 100 - 36 - 10372/5.0=9, 2876/3.0=3...(13) HB2 PRO 57 - HA ILE 136 OK 35 89 - 39 - 8263/3.2=6, 2.3/9693=5...(15) HB2 MET 68 - HA ILE 136 OK 32 98 - 33 - 1965/3.0=5, ~8436=4...(17) HG2 ARG 124 - HA ILE 136 OK 28 77 - 36 - 3.0/10748=5, 4.9/4591=3...(20) HD3 LYS 93 - HA ILE 136 OK 27 100 - 27 - 4628=4, 4631/3.7=3...(9) HB2 LEU 95 - HA ILE 136 OK 13 100 - 13 - 3128/4.9=1, 4616/3.2=1 HD2 LYS 48 - HA ILE 136 OK 11 100 - 11 - 4628=1, 4631/3.7=1 HD3 LYS 48 - HA ILE 136 OK 11 96 - 11 - 4628=1, 1.8/4628=1, 4631/3.7=1 HB2 ARG 145 - HA ILE 136 lone 10 100 - 10 - 3.0/10390=5 Peak 4597 from aliabs.peaks (0.78, 3.71, 64.37 ppm; 3.29 A): 3 out of 5 assignments used, quality = 0.96: * QD1 ILE 136 + HA ILE 136 OK 89 100 - 89 - 4.2=49, 2.1/4595=21...(20) QD1 LEU 72 + HA ILE 136 OK 41 96 - 43 - 4617/3.2=6, 4609/3.0=6...(16) QG2 VAL 73 + HA ILE 136 OK 34 100 - 35 - 2184/2.9=5, 4617/3.2=4...(11) QD2 LEU 72 - HA ILE 136 OK 25 62 - 39 - 4617/3.2=5, 4609/3.0=5...(16) QD1 LEU 108 - HA ILE 136 OK 17 81 - 21 - 4617/3.2=2, 4609/3.0=2...(9) Peak 4600 from aliabs.peaks (2.83, 3.71, 64.37 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.73: * HB2 ASN 139 + HA ILE 136 OK 70 100 - 70 - 4687=23, 1.8/4695=20...(12) HB2 ASP 40 + HA ILE 136 OK 11 100 - 11 - 4687=2, 7795/4599=2, 4698/4695=1 HE3 LYS 114 - HA ILE 136 poor 10 92 - 11 - 7795/4599=2, ~9676=1...(5) HB2 ASN 130 - HA ILE 136 lone 2 98 - 2 - Peak 4601 from aliabs.peaks (2.80, 3.71, 64.37 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.76: * HB3 ASN 139 + HA ILE 136 OK 70 100 - 70 - 4695=24, 4.0/4599=19...(11) HB3 ASP 41 + HA ILE 136 OK 19 98 - 20 - 10462/3.2=5, 10752/4.2=3...(9) HB3 ASN 84 - HA ILE 136 lone 6 81 - 7 - 10336/3.2=1, ~9676=1...(4) HB2 ASN 128 - HA ILE 136 lone 5 100 - 5 - 10336/3.2=2 Peak 4602 from aliabs.peaks (3.84, 1.93, 37.90 ppm; 4.06 A): 4 out of 6 assignments used, quality = 0.97: * HA GLN 133 + HB ILE 136 OK 77 100 - 77 - 9618/2.5=20, 9601/4.6=19...(16) HA LEU 66 + HB ILE 136 OK 49 99 - 50 - 10328/2.1=8, 9666/2.5=8...(14) HD2 PRO 118 + HB ILE 136 OK 47 72 - 65 - ~9667=10, ~9667=9...(30) HA ALA 104 + HB ILE 136 OK 47 99 - 47 - 10328/2.1=7, 9666/2.5=7...(13) HB2 SER 127 - HB ILE 136 OK 37 100 - 37 - 9520/2.1=7, 9666/2.5=5...(9) HB2 SER 100 - HB ILE 136 OK 28 85 - 33 - ~10473=5, 4602=4...(12) Peak 4604 from aliabs.peaks (3.71, 1.93, 37.90 ppm; 4.17 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 136 + HB ILE 136 OK 100 100 - 100 - 3.0=100 HA ILE 91 + HB ILE 136 OK 63 98 - 65 - 4636/2.5=10, 4612/2.1=9...(25) HA THR 107 + HB ILE 136 OK 63 99 - 64 - 4604=11, 4636/2.5=9...(18) HB THR 74 - HB ILE 136 OK 37 94 - 40 - 4.0/4603=6, 4604=6...(12) Peak 4605 from aliabs.peaks (1.93, 1.93, 37.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 136 + HB ILE 136 OK 100 100 - 100 Peak 4606 from aliabs.peaks (0.89, 1.93, 37.90 ppm; 3.33 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.1=100 QG2 ILE 101 + HB ILE 136 OK 69 100 - 69 - 4606=11, 4638/2.5=8...(40) QD1 ILE 101 + HB ILE 136 OK 66 100 - 66 - 4606=10, 4638/2.5=7...(30) QD1 LEU 97 - HB ILE 136 OK 38 100 - 38 - 4606=6, 4638/2.5=4...(18) QG2 ILE 56 - HB ILE 136 OK 37 99 - 37 - ~9683=5, 4638/2.5=4...(15) QG2 VAL 80 - HB ILE 136 OK 22 77 - 29 - 4638/2.5=4, 4606=3...(11) Peak 4607 from aliabs.peaks (1.00, 1.93, 37.90 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.9=100 QD1 LEU 116 + HB ILE 136 OK 80 99 - 80 - 10227/2.5=20, 4607=16...(18) Peak 4608 from aliabs.peaks (1.67, 1.93, 37.90 ppm; 4.48 A): 8 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.9=100 HB VAL 71 + HB ILE 136 OK 86 100 - 86 - ~9685=11, 9899/2.5=10...(33) HB2 MET 68 + HB ILE 136 OK 77 98 - 79 - ~8436=10, 1965=9...(37) HB2 PRO 57 + HB ILE 136 OK 71 89 - 80 - 8263/2.1=13, 2.3/9691=11...(34) HG2 ARG 140 + HB ILE 136 OK 66 77 - 85 - ~11575=12, ~11016=11...(46) HG2 ARG 89 + HB ILE 136 OK 65 100 - 65 - ~10334=5, 2876=5...(36) HD3 LYS 93 + HB ILE 136 OK 64 100 - 64 - 4631/2.9=6, 4633/2.5=5...(32) HG2 ARG 124 + HB ILE 136 OK 48 77 - 63 - ~9668=7, ~10333=7...(29) HB2 LEU 95 - HB ILE 136 OK 35 100 - 35 - ~10759=3, ~11135=3...(13) HD3 LYS 48 - HB ILE 136 OK 26 96 - 26 - 4631/2.9=2, 4633/2.5=2...(11) HD2 LYS 48 - HB ILE 136 OK 26 100 - 25 - 4631/2.9=2, 4633/2.5=2...(9) HB2 ARG 145 - HB ILE 136 OK 18 100 - 18 - ~10390=6, ~10335=2...(4) Peak 4609 from aliabs.peaks (0.78, 1.93, 37.90 ppm; 3.58 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 136 + HB ILE 136 OK 100 100 - 100 - 2.5=100 QD1 LEU 72 + HB ILE 136 OK 68 96 - 71 - 4609=10, 4617/2.1=9...(34) QG2 VAL 73 + HB ILE 136 OK 45 100 - 46 - 4609=7, 4617/2.1=6...(14) QD2 LEU 72 - HB ILE 136 OK 42 62 - 68 - 4609=9, 2.1/4609=8...(33) QD1 LEU 108 - HB ILE 136 OK 26 81 - 32 - 4609=4, 4617/2.1=3...(12) Peak 4612 from aliabs.peaks (3.71, 0.89, 16.73 ppm; 2.79 A): 3 out of 4 assignments used, quality = 0.95: * HA ILE 136 + QG2 ILE 136 OK 89 100 - 89 - 3.2=67, 4595/2.3=14...(26) HA ILE 91 + QG2 ILE 136 OK 33 98 - 33 - 4636/3.0=4, 4620/2.3=4...(12) HA THR 107 + QG2 ILE 136 OK 30 99 - 30 - 3.2/9245=4, 4604/2.1=4...(11) HB THR 74 - QG2 ILE 136 OK 16 94 - 17 - 4.0/4611=3, 4604/2.1=2...(7) Peak 4613 from aliabs.peaks (1.93, 0.89, 16.73 ppm; 2.64 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 136 + QG2 ILE 136 OK 100 100 - 100 - 2.1=100 HB3 LEU 132 + QG2 ILE 136 OK 63 100 - 63 - 3.2/9683=7, 3.0/10338=6...(41) HB2 ARG 140 - QG2 ILE 136 OK 42 92 - 46 - 2.9/11575=5, 3.0/10329=4...(20) HB2 PRO 118 - QG2 ILE 136 OK 36 98 - 37 - 2.3/10329=3, 4613=3...(21) HG13 ILE 83 - QG2 ILE 136 OK 31 96 - 33 - ~10021=4, 4613=4...(15) HB2 ARG 89 - QG2 ILE 136 OK 30 100 - 30 - 3.5/10334=3, 2862/2.3=3...(11) HB3 PRO 52 - QG2 ILE 136 OK 12 100 - 12 - 2.3/11044=2 HG2 PRO 52 - QG2 ILE 136 OK 12 100 - 12 - 1.8/11044=2 HG2 PRO 12 - QG2 ILE 136 OK 11 72 - 15 - 4613=1 HG3 PRO 12 - QG2 ILE 136 OK 10 77 - 13 - HB2 LYS 86 - QG2 ILE 136 poor 9 72 - 12 - ~9672=3, ~9672=1 Peak 4614 from aliabs.peaks (0.89, 0.89, 16.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 136 + QG2 ILE 136 OK 100 100 - 100 Peak 4615 from aliabs.peaks (1.00, 0.89, 16.73 ppm; 2.80 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 136 + QG2 ILE 136 OK 100 100 - 100 - 2.3=100 QD1 LEU 116 + QG2 ILE 136 OK 46 99 - 46 - 10227/3.0=8, 4607/2.1=6...(17) Peak 4616 from aliabs.peaks (1.67, 0.89, 16.73 ppm; 2.98 A): 2 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + QG2 ILE 136 OK 100 100 - 100 - 2.3=100 HB VAL 71 + QG2 ILE 136 OK 57 100 - 57 - 2.1/9683=8, 9899/3.0=4...(32) HG2 ARG 140 - QG2 ILE 136 OK 44 77 - 57 - 1.8/11575=8, 2.9/10334=5...(24) HB2 MET 68 - QG2 ILE 136 OK 43 98 - 44 - 3.0/8436=6, 1965/2.1=4...(27) HB2 PRO 57 - QG2 ILE 136 OK 43 89 - 48 - 8263=5, 2.3/10631=5...(25) HG2 ARG 89 - QG2 ILE 136 OK 40 100 - 41 - 3.0/10334=4, 2876/2.1=3...(15) HD3 LYS 93 - QG2 ILE 136 OK 37 100 - 37 - 4631/2.3=4, 4630=3...(15) HG2 ARG 124 - QG2 ILE 136 OK 28 77 - 36 - 3.0/10334=4, 3.0/10333=4...(17) HB2 LEU 95 - QG2 ILE 136 OK 15 100 - 15 - 3.0/10329=1 HD2 LYS 48 - QG2 ILE 136 OK 13 100 - 13 - 4631/2.3=1, 4630=1 HD3 LYS 48 - QG2 ILE 136 OK 13 96 - 13 - 4631/2.3=1 HB2 ARG 145 - QG2 ILE 136 OK 11 100 - 11 - ~10390=2, 3.4/10335=1 Peak 4617 from aliabs.peaks (0.78, 0.89, 16.73 ppm; 2.50 A): 5 out of 5 assignments used, quality = 0.92: * QD1 ILE 136 + QG2 ILE 136 OK 78 100 - 78 - 3.0=55, 4636/3.2=6...(25) QD1 LEU 72 + QG2 ILE 136 OK 33 96 - 35 - 4625/2.3=4, 4609/2.1=4...(13) QG2 VAL 73 + QG2 ILE 136 OK 24 100 - 24 - 4625/2.3=3, 4609/2.1=3...(8) QD2 LEU 72 + QG2 ILE 136 OK 20 62 - 32 - 4609/2.1=3, 4625/2.3=3...(14) QD1 LEU 108 + QG2 ILE 136 OK 13 81 - 15 - 4609/2.1=2, 4625/2.3=1 Peak 4620 from aliabs.peaks (3.71, 1.00, 28.66 ppm; 3.69 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 3.7=97, 4612/2.3=22...(22) HA ILE 91 - HG12 ILE 136 OK 44 98 - 45 - 4636/2.1=9, 4612/2.3=8...(15) HA THR 107 - HG12 ILE 136 OK 43 99 - 44 - 4636/2.1=8, 4612/2.3=7...(12) HB THR 74 - HG12 ILE 136 OK 23 94 - 24 - 4636/2.1=5, 4.0/4619=5...(6) Peak 4621 from aliabs.peaks (1.93, 1.00, 28.66 ppm; 3.98 A): 6 out of 11 assignments used, quality = 1.00: * HB ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 2.9=100 HB3 LEU 132 + HG12 ILE 136 OK 95 100 - 95 - ~9686=16, ~9686=13...(47) HB2 ARG 140 + HG12 ILE 136 OK 72 92 - 79 - ~11575=7, ~11574=6...(46) HB2 PRO 118 + HG12 ILE 136 OK 63 98 - 65 - ~9667=8, ~9667=7...(32) HG13 ILE 83 + HG12 ILE 136 OK 55 96 - 57 - 2.1/10021=18, ~10023=5...(21) HB2 ARG 89 + HG12 ILE 136 OK 51 100 - 51 - 2862/1.8=6, 4613/2.3=4...(31) HG2 PRO 52 - HG12 ILE 136 OK 25 100 - 25 - ~11044=3, ~10341=3...(9) HB3 PRO 52 - HG12 ILE 136 OK 25 100 - 24 - ~11044=3, ~10341=2...(10) HG2 PRO 12 - HG12 ILE 136 OK 21 72 - 29 - ~10759=3, ~11135=3...(7) HG3 PRO 12 - HG12 ILE 136 OK 21 77 - 27 - ~10759=3, ~11135=3...(8) HB2 LYS 86 - HG12 ILE 136 OK 20 72 - 27 - ~9672=9, ~9672=4...(7) Peak 4622 from aliabs.peaks (0.89, 1.00, 28.66 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 2.3=100 QG2 ILE 101 + HG12 ILE 136 OK 63 100 - 64 - 4638/2.1=9, 4606/2.9=7...(40) QD1 ILE 101 + HG12 ILE 136 OK 58 100 - 58 - 4638/2.1=9, 4606/2.9=7...(29) QG2 ILE 56 - HG12 ILE 136 OK 38 99 - 38 - ~9683=6, 4638/2.1=5...(14) QD1 LEU 97 - HG12 ILE 136 OK 33 100 - 33 - 4638/2.1=5, 4606/2.9=4...(17) QG2 VAL 80 - HG12 ILE 136 OK 21 77 - 27 - 4638/2.1=4, 4606/2.9=2...(14) Peak 4623 from aliabs.peaks (1.00, 1.00, 28.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 136 + HG12 ILE 136 OK 100 100 - 100 Peak 4624 from aliabs.peaks (1.67, 1.00, 28.66 ppm; 3.40 A): 6 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 1.8=100 HB VAL 71 + HG12 ILE 136 OK 70 100 - 70 - 2.1/8517=8, ~9685=7...(28) HB2 MET 68 + HG12 ILE 136 OK 55 98 - 56 - ~8436=5, 8430/2.1=5...(35) HB2 PRO 57 + HG12 ILE 136 OK 53 89 - 60 - 8263/2.3=7, ~9672=5...(28) HG2 ARG 140 + HG12 ILE 136 OK 50 77 - 65 - ~11575=7, 11574/2.3=6...(34) HD3 LYS 93 + HG12 ILE 136 OK 49 100 - 49 - 4631=7, 3.0/10339=5...(26) HG2 ARG 89 - HG12 ILE 136 OK 43 100 - 44 - 2876/2.9=3, 4616/2.3=3...(24) HG2 ARG 124 - HG12 ILE 136 OK 32 77 - 42 - ~9668=4, ~9668=4...(26) HB2 LEU 95 - HG12 ILE 136 OK 20 100 - 20 - ~10759=2, 4640/2.1=2...(8) HD2 LYS 48 - HG12 ILE 136 OK 18 100 - 18 - 4631=3, 1.8/4631=2...(4) HD3 LYS 48 - HG12 ILE 136 OK 18 96 - 18 - 4631=2, 1.8/4631=2...(4) HB2 ARG 145 - HG12 ILE 136 lone 10 100 - 10 - Peak 4625 from aliabs.peaks (0.78, 1.00, 28.66 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 136 + HG12 ILE 136 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + HG12 ILE 136 OK 49 96 - 51 - 4617/2.3=8, 4609/2.9=5...(26) QG2 VAL 73 - HG12 ILE 136 OK 34 100 - 34 - 4617/2.3=5, 4609/2.9=4...(13) QD2 LEU 72 - HG12 ILE 136 OK 31 62 - 49 - 4617/2.3=6, 4633/1.8=5...(26) QD1 LEU 108 - HG12 ILE 136 OK 17 81 - 20 - 4617/2.3=3, 4609/2.9=2...(9) Peak 4628 from aliabs.peaks (3.71, 1.67, 28.66 ppm; 3.70 A): 2 out of 16 assignments used, quality = 1.00: * HA ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 3.7=98, 4595/1.8=27...(21) HA ILE 91 + HG13 ILE 136 OK 47 98 - 48 - 4636/2.1=9, 4612/2.3=8...(17) HA THR 107 - HG13 ILE 136 OK 45 99 - 45 - 4636/2.1=8, 4620/1.8=8...(13) HA ILE 91 - HD3 LYS 93 OK 28 80 - 35 - 7082/6.2=6, 8965/4.9=5...(13) HA ILE 136 - HD3 LYS 93 OK 25 85 - 30 - 3.7/4631=4, 4596=4...(10) HB THR 74 - HG13 ILE 136 OK 24 94 - 25 - 4636/2.1=5, 4612/2.3=4...(6) HA ILE 91 - HD2 LYS 48 OK 16 81 - 20 - ~9801=3, 2949/3.0=2...(8) HA THR 107 - HD2 LYS 48 OK 13 83 - 15 - 3.6/1194=3, 3450/6.0=3...(8) HA ILE 91 - HD3 LYS 48 OK 13 65 - 20 - ~9801=3, 2949/3.0=2...(6) HA ILE 136 - HD2 LYS 48 OK 11 86 - 12 - 4596=1, 3.7/4631=1, 4596/1.8=1 HA THR 107 - HD3 LYS 48 poor 10 66 - 15 - 3450/6.0=3, 3.6/1194=2...(8) HA ILE 136 - HD3 LYS 48 poor 9 69 - 12 - 4596=1, 4596/1.8=1, 3.7/4631=1 HA THR 107 - HD3 LYS 93 lone 6 82 - 7 - 9241/9289=2 HB THR 74 - HD3 LYS 93 lone 3 75 - 5 - HB THR 74 - HD2 LYS 48 lone 1 77 - 2 - HB THR 74 - HD3 LYS 48 lone 1 61 - 2 - Peak 4629 from aliabs.peaks (1.93, 1.67, 28.66 ppm; 3.20 A): 4 out of 44 assignments used, quality = 1.00: * HB ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 2.9=100 HB3 LEU 132 + HG13 ILE 136 OK 81 100 - 82 - ~9686=9, ~9686=8...(42) HB2 ARG 140 + HG13 ILE 136 OK 59 92 - 64 - 4717=5, 2.9/4745=5...(36) HB2 PRO 118 + HG13 ILE 136 OK 48 98 - 49 - ~9667=5, 4717=4, ~9667=4...(29) HB2 ARG 89 - HG13 ILE 136 OK 43 100 - 43 - 2862=6, 1.8/2870=4...(18) HG13 ILE 83 - HG13 ILE 136 OK 39 96 - 41 - ~10021=8, 2.1/10023=5...(17) HB2 ARG 89 - HD3 LYS 93 OK 34 84 - 41 - 2862=5, 1.8/2870=4...(15) HB ILE 136 - HD3 LYS 93 OK 32 85 - 38 - 2.9/4631=3, 2.5/4633=3...(12) HB2 ARG 140 - HD3 LYS 93 OK 21 73 - 29 - 4717=2, 1.8/4727=2...(9) HG2 PRO 52 - HG13 ILE 136 OK 18 100 - 17 - ~11044=2, ~10341=2...(8) HB3 PRO 52 - HG13 ILE 136 OK 17 100 - 17 - ~11044=2, 4637/2.1=1...(8) HG2 PRO 12 - HG13 ILE 136 OK 14 72 - 20 - ~10759=2, ~11135=2...(4) HG3 PRO 12 - HG13 ILE 136 OK 14 77 - 18 - ~10759=2, ~11135=2...(4) HB2 LYS 86 - HG13 ILE 136 OK 13 72 - 19 - ~9672=6, ~9672=3, 4637/2.1=1 HB ILE 136 - HD2 LYS 48 OK 12 86 - 14 - 2.9/4631=1, 2.5/4633=1 HB2 ARG 89 - HD2 LYS 48 OK 11 85 - 12 - 2862=2, 1.8/2870=1, 2862/1.8=1 HB ILE 136 - HD3 LYS 48 OK 10 69 - 15 - 2.9/4631=1, 2.1/4616=1 HB3 LEU 132 - HD3 LYS 93 OK 10 83 - 12 - 3.2/10422=2, ~10092=1 HG13 ILE 83 - HD3 LYS 93 poor 9 78 - 11 - 2.1/10023=2, ~10002=1 HB2 ARG 89 - HD3 LYS 48 poor 8 69 - 12 - 2862=2, 2862/1.8=1, 1.8/2870=1 HB2 LYS 86 - HD3 LYS 93 poor 6 55 - 10 - 2687/1.8=1, ~2698=1...(5) HB2 ARG 140 - HD2 LYS 48 lone 4 74 - 5 - HB2 PRO 118 - HD3 LYS 93 lone 3 80 - 4 - HB2 ARG 140 - HD3 LYS 48 lone 3 58 - 5 - HG13 ILE 83 - HD2 LYS 48 lone 2 79 - 2 - HB3 LEU 132 - HD2 LYS 48 lone 2 84 - 2 - HG13 ILE 83 - HD3 LYS 48 lone 1 63 - 2 - HB3 LEU 132 - HD3 LYS 48 lone 1 68 - 2 - HG2 PRO 52 - HD3 LYS 93 lone 1 83 - 2 - HB2 PRO 118 - HD2 LYS 48 lone 1 81 - 2 - HB3 PRO 52 - HD3 LYS 93 lone 1 84 - 1 - HG3 PRO 12 - HD3 LYS 93 lone 1 59 - 2 - HB2 PRO 118 - HD3 LYS 48 lone 1 65 - 1 - HG2 PRO 12 - HD3 LYS 93 lone 1 55 - 2 - HB2 LYS 86 - HD2 LYS 48 lone 1 56 - 1 - HG2 PRO 52 - HD2 LYS 48 lone 1 84 - 1 - HB3 PRO 52 - HD2 LYS 48 lone 1 85 - 1 - HB2 LYS 86 - HD3 LYS 48 lone 0 43 - 1 - HG2 PRO 52 - HD3 LYS 48 lone 0 68 - 1 - HB3 PRO 52 - HD3 LYS 48 lone 0 69 - 1 - HG3 PRO 12 - HD2 LYS 48 lone 0 60 - 1 - HG2 PRO 12 - HD2 LYS 48 lone 0 56 - 1 - HG3 PRO 12 - HD3 LYS 48 lone 0 46 - 1 - HG2 PRO 12 - HD3 LYS 48 lone 0 43 - 1 - Peak 4630 from aliabs.peaks (0.89, 1.67, 28.66 ppm; 3.39 A): 3 out of 24 assignments used, quality = 1.00: * QG2 ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 2.3=100 QG2 ILE 101 + HG13 ILE 136 OK 62 100 - 62 - 4638/2.1=9, 4622/1.8=8...(36) QD1 ILE 101 + HG13 ILE 136 OK 59 100 - 59 - 4638/2.1=8, 4622/1.8=7...(30) QG2 ILE 136 - HD3 LYS 93 OK 40 85 - 47 - 2.3/4631=5, 4616=4...(23) QG2 ILE 56 - HG13 ILE 136 OK 39 99 - 40 - ~9683=5, 4638/2.1=4...(15) QD1 LEU 97 - HG13 ILE 136 OK 33 100 - 33 - 4638/2.1=5, 4622/1.8=4...(13) QG2 ILE 101 - HD3 LYS 93 OK 23 84 - 27 - 3.2/11215=2, 3338/3.4=2...(7) QD1 LEU 97 - HD2 LYS 48 OK 19 86 - 22 - 3227/1.8=2, 10132/3.6=2...(5) QG2 VAL 80 - HG13 ILE 136 OK 18 77 - 23 - 4638/2.1=4, 4622/1.8=3...(10) QD1 LEU 97 - HD3 LYS 93 OK 16 84 - 19 - 10132/3.4=3, 3227/1.8=3...(4) QG2 ILE 136 - HD2 LYS 48 OK 15 86 - 17 - 2.3/4631=2, 4616=2...(4) QD1 ILE 101 - HD3 LYS 93 OK 15 85 - 18 - 3362/3.4=2, 4.1/11215=2 QG2 ILE 136 - HD3 LYS 48 OK 13 69 - 18 - 4616=2, 2.3/4631=1...(4) QD1 LEU 97 - HD3 LYS 48 OK 12 69 - 17 - 10132/3.6=2, 3225/3.0=2...(4) QG2 ILE 101 - HD2 LYS 48 lone 7 85 - 9 - QG2 VAL 80 - HD3 LYS 93 poor 7 59 - 12 - 8753/3.0=2, ~3069=1 QG2 ILE 56 - HD3 LYS 93 lone 6 82 - 7 - QG2 ILE 101 - HD3 LYS 48 lone 6 69 - 9 - 3.2/10830=1 QD1 ILE 101 - HD2 LYS 48 lone 5 86 - 5 - QD1 ILE 101 - HD3 LYS 48 lone 3 69 - 5 - QG2 ILE 56 - HD2 LYS 48 lone 2 83 - 3 - QG2 ILE 56 - HD3 LYS 48 lone 2 66 - 3 - QG2 VAL 80 - HD2 LYS 48 lone 1 60 - 2 - QG2 VAL 80 - HD3 LYS 48 lone 1 46 - 2 - Peak 4631 from aliabs.peaks (1.00, 1.67, 28.66 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * HG12 ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 1.8=100 QD1 LEU 116 + HG13 ILE 136 OK 62 99 - 63 - 10227/2.1=15...(17) HG12 ILE 136 - HD3 LYS 93 OK 40 85 - 47 - 10339/3.0=5, 4624=5...(26) QD1 LEU 116 - HD3 LYS 93 OK 26 82 - 32 - 10229/3.4=5, 3890/3.0=3...(14) HG12 ILE 136 - HD2 LYS 48 OK 15 86 - 17 - 4624=2, 2.1/4633=1...(4) HG12 ILE 136 - HD3 LYS 48 OK 12 69 - 17 - 4624=2, 4624/1.8=1...(4) QD1 LEU 116 - HD2 LYS 48 OK 11 83 - 14 - 10295/3.6=2, 10690/3.0=2...(5) QD1 LEU 116 - HD3 LYS 48 poor 9 66 - 13 - 10295/3.6=2, 10690/3.0=2...(5) Peak 4632 from aliabs.peaks (1.67, 1.67, 28.66 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG13 ILE 136 + HG13 ILE 136 OK 100 100 - 100 HD2 LYS 48 + HD2 LYS 48 OK 86 86 - 100 HD3 LYS 93 + HD3 LYS 93 OK 84 84 - 100 HD3 LYS 48 + HD3 LYS 48 OK 63 63 - 100 Peak 4633 from aliabs.peaks (0.78, 1.67, 28.66 ppm; 3.13 A): 2 out of 20 assignments used, quality = 1.00: * QD1 ILE 136 + HG13 ILE 136 OK 100 100 - 100 - 2.1=100 QD1 LEU 72 + HG13 ILE 136 OK 51 96 - 53 - 4617/2.3=7, 4625/1.8=7...(26) QD1 ILE 136 - HD3 LYS 93 OK 35 85 - 42 - 4640=4, 9689/3.0=4...(14) QG2 VAL 73 - HG13 ILE 136 OK 33 100 - 33 - 4617/2.3=5, 4625/1.8=5...(12) QD2 LEU 72 - HG13 ILE 136 OK 31 62 - 50 - 4617/2.3=6, 4625/1.8=6...(26) QD1 LEU 108 - HG13 ILE 136 OK 17 81 - 20 - 4617/2.3=3, 4625/1.8=2...(6) QD1 ILE 136 - HD2 LYS 48 OK 13 86 - 15 - 2.1/4631=2, 4640=2, 4640/1.8=1 QG2 VAL 73 - HD3 LYS 93 OK 12 83 - 15 - 8596/3.0=5, 9922/6.2=1, ~8591=1 QD1 ILE 136 - HD3 LYS 48 OK 11 69 - 16 - 4640=1, 2.1/4631=1, 4640/1.8=1 QD1 LEU 72 - HD3 LYS 93 poor 9 78 - 12 - 10173/3.0=2, 9035/6.2=2...(4) QD1 LEU 108 - HD2 LYS 48 poor 8 64 - 13 - 4.4/1194=2, 3509/6.0=2 QD1 LEU 108 - HD3 LYS 48 poor 6 49 - 12 - 3509/6.0=2, 3513/3.0=1 QD1 LEU 108 - HD3 LYS 93 lone 4 62 - 7 - 10173/3.0=2, ~8660=1 QG2 VAL 73 - HD2 LYS 48 lone 3 84 - 4 - QD2 LEU 72 - HD3 LYS 93 lone 3 46 - 7 - ~10173=2 QD1 LEU 72 - HD2 LYS 48 lone 3 79 - 4 - QD1 LEU 72 - HD3 LYS 48 lone 3 63 - 4 - QG2 VAL 73 - HD3 LYS 48 lone 2 68 - 4 - QD2 LEU 72 - HD2 LYS 48 lone 1 47 - 2 - QD2 LEU 72 - HD3 LYS 48 lone 1 36 - 2 - Peak 4636 from aliabs.peaks (3.71, 0.78, 13.00 ppm; 3.10 A): 3 out of 4 assignments used, quality = 0.94: * HA ILE 136 + QD1 ILE 136 OK 84 100 - 84 - 4.2=41, 4595/2.1=18...(20) HA ILE 91 + QD1 ILE 136 OK 43 98 - 44 - 4636=7, 4612/3.0=5...(19) HA THR 107 + QD1 ILE 136 OK 38 99 - 39 - 4636=8, 4620/2.1=5...(14) HB THR 74 - QD1 ILE 136 OK 21 94 - 23 - 4636=4, 4.0/4635=4...(7) Peak 4637 from aliabs.peaks (1.93, 0.78, 13.00 ppm; 2.76 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 136 + QD1 ILE 136 OK 100 100 - 100 - 2.5=100 HB3 LEU 132 + QD1 ILE 136 OK 69 100 - 69 - 3.2/9686=16, 3.2/9685=9...(31) HB2 ARG 140 - QD1 ILE 136 OK 43 92 - 47 - 2.9/10759=5, 2.9/4640=3...(22) HB2 PRO 118 - QD1 ILE 136 OK 36 98 - 37 - 3.0/9667=5, 1.8/9671=3...(19) HG13 ILE 83 - QD1 ILE 136 OK 33 96 - 34 - ~10021=5, 4.4/10454=3...(15) HB2 ARG 89 - QD1 ILE 136 OK 28 100 - 28 - 2862/2.1=3, 2861/2.5=2...(10) HG2 PRO 52 - QD1 ILE 136 OK 15 100 - 15 - 1.8/10341=3, ~11044=1 HB3 PRO 52 - QD1 ILE 136 OK 14 100 - 14 - 2.3/10341=2, 2.3/9667=1 HG2 PRO 12 - QD1 ILE 136 OK 12 72 - 16 - 2.3/10759=3, 4637=1 HG3 PRO 12 - QD1 ILE 136 OK 11 77 - 15 - 2.3/10759=3 HB2 LYS 86 - QD1 ILE 136 OK 11 72 - 16 - 1.8/9672=6 Peak 4638 from aliabs.peaks (0.89, 0.78, 13.00 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.93: * QG2 ILE 136 + QD1 ILE 136 OK 79 100 - 79 - 3.0=55, 3.2/4636=6...(26) QG2 ILE 101 + QD1 ILE 136 OK 45 100 - 45 - 4638=11, 4606/2.5=4...(9) QD1 ILE 101 + QD1 ILE 136 OK 41 100 - 41 - 4638=10, 4606/2.5=4...(12) QD1 LEU 97 - QD1 ILE 136 OK 24 100 - 24 - 4638=6, 4606/2.5=2...(5) QG2 ILE 56 - QD1 ILE 136 OK 24 99 - 24 - 2.1/10341=4, 3.1/9685=4...(8) QG2 VAL 80 - QD1 ILE 136 OK 18 77 - 23 - 4638=5, 8756/9686=3...(5) Peak 4639 from aliabs.peaks (1.00, 0.78, 13.00 ppm; 2.71 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 136 + QD1 ILE 136 OK 100 100 - 100 - 2.1=100 QD1 LEU 116 + QD1 ILE 136 OK 51 99 - 52 - 4639=14, 4615/3.0=6...(16) Peak 4640 from aliabs.peaks (1.67, 0.78, 13.00 ppm; 2.73 A): 2 out of 12 assignments used, quality = 1.00: * HG13 ILE 136 + QD1 ILE 136 OK 100 100 - 100 - 2.1=100 HB VAL 71 + QD1 ILE 136 OK 51 100 - 52 - 2.1/9685=10, 3.0/8496=4...(26) HB2 MET 68 - QD1 ILE 136 OK 44 98 - 45 - 2.9/8427=5, 4640=5...(17) HB2 PRO 57 - QD1 ILE 136 OK 38 89 - 43 - 4640=5, 8263/3.0=4...(23) HG2 ARG 140 - QD1 ILE 136 OK 37 77 - 48 - 1.8/10759=6, 4640=5...(18) HD3 LYS 93 - QD1 ILE 136 OK 32 100 - 32 - 4640=4, 4631/2.1=3...(8) HG2 ARG 89 - QD1 ILE 136 OK 31 100 - 31 - 2876/2.5=3, 4640=2...(12) HG2 ARG 124 - QD1 ILE 136 OK 22 77 - 29 - 3.0/9668=5, 3.0/10341=4...(10) HB2 LEU 95 - QD1 ILE 136 OK 15 100 - 15 - 3.0/10759=2 HD2 LYS 48 - QD1 ILE 136 OK 12 100 - 12 - 4633=1, 4631/2.1=1 HD3 LYS 48 - QD1 ILE 136 OK 12 96 - 12 - 4633=1, 1.8/4633=1 HB2 ARG 145 - QD1 ILE 136 lone 6 100 - 6 - Peak 4641 from aliabs.peaks (0.78, 0.78, 13.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 136 + QD1 ILE 136 OK 100 100 - 100 Peak 4644 from aliabs.peaks (4.47, 4.47, 56.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 137 + HA ASP 137 OK 100 100 - 100 Peak 4645 from aliabs.peaks (2.69, 4.47, 56.38 ppm; 2.94 A): 1 out of 5 assignments used, quality = 0.96: * HB2 ASP 137 + HA ASP 137 OK 96 100 - 96 - 3.0=91, 4652/2.9=19...(8) HB2 PHE 43 - HA ASP 137 OK 35 89 - 40 - 1.8/4646=7, 4660/3.0=5...(17) HB2 ASP 32 - HA ASP 137 lone 9 100 - 9 - 7778/3.6=1, 4660/3.0=1...(5) HB3 TYR 115 - HA ASP 137 lone 9 98 - 9 - 7778/3.6=2, 7767/2.9=1 HB3 CYS 121 - HA ASP 137 lone 1 68 - 1 - Peak 4646 from aliabs.peaks (2.76, 4.47, 56.38 ppm; 3.00 A): 1 out of 12 assignments used, quality = 0.99: * HB3 ASP 137 + HA ASP 137 OK 99 100 - 99 - 3.0=97, 1.8/4645=22...(7) HB3 PHE 43 - HA ASP 137 OK 28 72 - 39 - 1.8/4645=8, 4655/3.0=4...(19) HE2 LYS 114 - HA ASP 137 OK 11 98 - 12 - ~9707=2, 7768/2.9=1...(6) HB2 ASP 41 - HA ASP 137 poor 9 68 - 13 - 1.8/905=3, 3.8/6297=2, 899=1 HB3 ASP 40 - HA ASP 137 lone 8 98 - 8 - 4.4/6297=1 HE2 LYS 76 - HA ASP 137 lone 7 100 - 7 - HE3 LYS 76 - HA ASP 137 lone 7 100 - 7 - HG3 MET 113 - HA ASP 137 lone 5 85 - 5 - HB3 ASP 16 - HA ASP 137 lone 2 62 - 3 - HB2 ASN 96 - HA ASP 137 lone 2 68 - 2 - HB2 ASN 54 - HA ASP 137 lone 1 68 - 1 - HB2 PHE 38 - HA ASP 137 lone 1 92 - 1 - Peak 4649 from aliabs.peaks (1.93, 4.47, 56.38 ppm; 3.37 A): 3 out of 12 assignments used, quality = 0.95: HB ILE 136 + HA ASP 137 OK 74 92 - 80 - 2.1/9679=18, 4610/2.9=17...(24) * HB2 ARG 140 + HA ASP 137 OK 64 100 - 64 - 4712=16, 1.8/4722=13...(18) HB2 ARG 89 + HA ASP 137 OK 47 96 - 49 - 2.8/10372=15...(15) HG13 ILE 83 - HA ASP 137 OK 32 100 - 32 - 3.2/9705=13, 3.8/10018=5...(8) HB2 PRO 118 - HA ASP 137 OK 14 100 - 14 - 4712=4, 7761/2.9=1...(4) QE MET 68 - HA ASP 137 poor 8 77 - 10 - 7761/2.9=2, ~10471=1 HB3 LEU 132 - HA ASP 137 lone 7 81 - 9 - 4593/5.0=2, 7761/2.9=2 HG3 PRO 12 - HA ASP 137 lone 7 99 - 7 - 2.3/9703=2 HB2 LYS 86 - HA ASP 137 lone 6 98 - 6 - HB3 PRO 52 - HA ASP 137 lone 3 85 - 4 - HG2 PRO 52 - HA ASP 137 lone 3 81 - 4 - HB2 MET 59 - HA ASP 137 lone 1 62 - 2 - Peak 4650 from aliabs.peaks (1.89, 4.47, 56.38 ppm; 3.60 A): 5 out of 9 assignments used, quality = 0.93: * HB3 ARG 140 + HA ASP 137 OK 69 100 - 69 - 4722=19, 1.8/4712=15...(18) HB3 ARG 89 + HA ASP 137 OK 47 92 - 51 - 2.8/10372=17...(13) HB ILE 101 + HA ASP 137 OK 40 77 - 52 - 2.1/9705=8, ~9707=6...(19) HB3 LYS 93 + HA ASP 137 OK 16 100 - 16 - 9717/4.9=3, 9697/3.6=1...(4) HB3 ARG 141 + HA ASP 137 OK 14 99 - 15 - 9717/4.9=4, 4722=3...(5) HB3 GLN 111 - HA ASP 137 lone 10 96 - 10 - 3626/5.0=2, 9717/4.9=1 HB2 GLN 62 - HA ASP 137 lone 6 98 - 6 - 4649=1 HB3 LEU 69 - HA ASP 137 lone 5 72 - 7 - HB3 LYS 24 - HA ASP 137 lone 4 96 - 4 - Peak 4651 from aliabs.peaks (4.21, 2.69, 40.38 ppm; 3.41 A): 4 out of 7 assignments used, quality = 0.90: * HA ALA 134 + HB2 ASP 137 OK 74 100 - 74 - 4572=34, 2.1/10323=18...(9) HA ILE 101 + HB2 ASP 137 OK 39 100 - 39 - 4657/1.8=9, 3.2/9711=6...(14) HA PHE 43 + HB2 ASP 137 OK 28 62 - 46 - 3.0/4655=7, 4657/1.8=6...(21) HA THR 102 + HB2 ASP 137 OK 14 100 - 14 - 10186/3.0=4, 4657/1.8=3...(5) HA PHE 45 - HB2 ASP 137 lone 8 98 - 8 - 4.9/4653=2, 4657/1.8=2, ~6357=1 HA LYS 93 - HB2 ASP 137 lone 8 85 - 9 - 4657/1.8=2, 7772/4.5=2 HA PHE 67 - HB2 ASP 137 lone 1 85 - 2 - Peak 4653 from aliabs.peaks (4.47, 2.69, 40.38 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 137 + HB2 ASP 137 OK 100 100 - 100 - 3.0=100 HA ASP 41 - HB2 ASP 137 OK 16 100 - 16 - 4659/1.8=4, 7766/3.8=2...(5) HA SER 44 - HB2 ASP 137 OK 15 94 - 16 - 4659/1.8=4, 2.9/6346=3...(5) HA3 GLY 31 - HB2 ASP 137 lone 7 100 - 7 - 3.5/6153=1, 4.9/10351=1 HA SER 103 - HB2 ASP 137 lone 7 100 - 7 - 4659/1.8=2, 7766/3.8=1 Peak 4654 from aliabs.peaks (2.69, 2.69, 40.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 137 + HB2 ASP 137 OK 100 100 - 100 Peak 4655 from aliabs.peaks (2.76, 2.69, 40.38 ppm; 2.52 A): 1 out of 12 assignments used, quality = 1.00: * HB3 ASP 137 + HB2 ASP 137 OK 100 100 - 100 - 1.8=100 HB3 PHE 43 - HB2 ASP 137 OK 22 72 - 31 - 985=4, ~4660=3, ~4660=3...(16) HE2 LYS 114 - HB2 ASP 137 lone 7 98 - 8 - ~9707=2, 4646/3.0=1 HE2 LYS 76 - HB2 ASP 137 lone 5 100 - 5 - HE3 LYS 76 - HB2 ASP 137 lone 5 100 - 5 - HB2 ASP 41 - HB2 ASP 137 lone 5 68 - 7 - 3.0/4653=2 HB3 ASP 40 - HB2 ASP 137 lone 5 98 - 5 - 3.0/875=1 HG3 MET 113 - HB2 ASP 137 lone 3 85 - 4 - HB3 ASP 16 - HB2 ASP 137 lone 2 62 - 4 - HB2 ASN 96 - HB2 ASP 137 lone 1 68 - 2 - HB2 PHE 38 - HB2 ASP 137 lone 1 92 - 1 - HB2 ASN 54 - HB2 ASP 137 lone 0 68 - 1 - Peak 4657 from aliabs.peaks (4.21, 2.76, 40.38 ppm; 3.48 A): 4 out of 7 assignments used, quality = 0.92: * HA ALA 134 + HB3 ASP 137 OK 74 100 - 74 - 4572/1.8=25, 4573=22...(10) HA ILE 101 + HB3 ASP 137 OK 46 100 - 46 - 3.8/9707=10, 4651/1.8=8...(14) HA PHE 43 + HB3 ASP 137 OK 31 62 - 50 - 4651/1.8=7, 3.0/4660=7...(21) HA THR 102 + HB3 ASP 137 OK 16 100 - 15 - 10186/3.0=5, 4651/1.8=3...(6) HA LYS 93 - HB3 ASP 137 poor 9 85 - 10 - 4651/1.8=2, 7772/4.5=2 HA PHE 45 - HB3 ASP 137 lone 9 98 - 9 - 4.9/4659=2, 4651/1.8=2...(4) HA PHE 67 - HB3 ASP 137 lone 1 85 - 2 - Peak 4659 from aliabs.peaks (4.47, 2.76, 40.38 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 137 + HB3 ASP 137 OK 100 100 - 100 - 3.0=100 HA ASP 41 - HB3 ASP 137 OK 17 100 - 17 - 4653/1.8=4, 7766/3.8=2...(6) HA SER 44 - HB3 ASP 137 OK 17 94 - 18 - 4653/1.8=4, 2.9/6347=3...(6) HA SER 103 - HB3 ASP 137 lone 7 100 - 7 - 4653/1.8=2, 7766/3.8=1 HA3 GLY 31 - HB3 ASP 137 lone 5 100 - 5 - 4653/1.8=2 Peak 4660 from aliabs.peaks (2.69, 2.76, 40.38 ppm; 2.57 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 137 + HB3 ASP 137 OK 100 100 - 100 - 1.8=100 HB2 PHE 43 - HB3 ASP 137 OK 29 89 - 33 - 4645/3.0=4, ~985=3...(17) HB3 TYR 115 - HB3 ASP 137 lone 7 98 - 7 - 4645/3.0=1 HB2 ASP 32 - HB3 ASP 137 lone 6 100 - 6 - 4645/3.0=1 HB3 CYS 121 - HB3 ASP 137 lone 0 68 - 1 - Peak 4661 from aliabs.peaks (2.76, 2.76, 40.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 137 + HB3 ASP 137 OK 100 100 - 100 Peak 4664 from aliabs.peaks (4.27, 4.27, 60.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 138 + HA SER 138 OK 100 100 - 100 Peak 4665 from aliabs.peaks (4.00, 4.27, 60.21 ppm; 2.54 A): 2 out of 9 assignments used, quality = 0.95: * HB2 SER 138 + HA SER 138 OK 77 100 - 77 - 3.0=59, 1.8/4676=10...(20) HB3 SER 138 + HA SER 138 OK 77 100 - 77 - 3.0=59, 1.8/4676=10...(20) HA LYS 114 - HA SER 138 lone 8 100 - 8 - 7793/3.6=1, 10355/4.8=1 HB3 SER 127 - HA SER 138 lone 4 100 - 4 - ~10474=1 HA MET 113 - HA SER 138 lone 3 100 - 3 - HA LEU 69 - HA SER 138 lone 3 81 - 4 - HA GLU 122 - HA SER 138 lone 2 62 - 3 - HB2 SER 103 - HA SER 138 lone 2 62 - 2 - HB3 SER 100 - HA SER 138 lone 1 62 - 2 - Peak 4666 from aliabs.peaks (4.00, 4.27, 60.21 ppm; 2.54 A): 2 out of 9 assignments used, quality = 0.95: * HB3 SER 138 + HA SER 138 OK 77 100 - 77 - 3.0=59, 1.8/4676=10...(20) HB2 SER 138 + HA SER 138 OK 77 100 - 77 - 3.0=59, 1.8/4676=10...(20) HA LYS 114 - HA SER 138 lone 8 100 - 8 - 7793/3.6=1, 10355/4.8=1 HB3 SER 127 - HA SER 138 lone 4 100 - 4 - ~10474=1 HA LEU 69 - HA SER 138 lone 3 85 - 4 - HA MET 113 - HA SER 138 lone 3 100 - 3 - HA GLU 122 - HA SER 138 lone 2 68 - 3 - HB2 SER 103 - HA SER 138 lone 2 68 - 3 - HB3 SER 100 - HA SER 138 lone 1 68 - 2 - Peak 4668 from aliabs.peaks (4.26, 4.00, 62.89 ppm; 2.50 A): 3 out of 16 assignments used, quality = 0.94: HA SER 138 + HB2 SER 138 OK 72 96 - 75 - 3.0=56, 4665/1.8=12...(16) HA SER 138 + HB3 SER 138 OK 72 96 - 75 - 3.0=56, 4665/1.8=12...(16) * HA ALA 135 + HB2 SER 138 OK 26 100 - 26 - 4584=7, 4584/1.8=7...(8) HA ALA 135 - HB3 SER 138 OK 26 100 - 26 - 4584=7, 4584/1.8=7...(8) HB THR 99 - HB3 SER 138 lone 5 96 - 5 - 2.1/10159=2, ~10159=2 HA LEU 95 - HB2 SER 138 lone 5 72 - 7 - ~10345=1 HA LEU 95 - HB3 SER 138 lone 5 72 - 7 - ~10345=1 HB THR 99 - HB2 SER 138 lone 5 96 - 5 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB2 SER 138 lone 3 96 - 3 - HA ARG 49 - HB3 SER 138 lone 3 96 - 3 - HB THR 92 - HB3 SER 138 lone 1 81 - 2 - HB THR 92 - HB2 SER 138 lone 1 81 - 2 - HA2 GLY 50 - HB2 SER 138 lone 1 92 - 1 - HA2 GLY 50 - HB3 SER 138 lone 1 91 - 1 - HA GLU 142 - HB2 SER 138 lone 1 72 - 1 - HA GLU 142 - HB3 SER 138 lone 1 72 - 1 - Peak 4670 from aliabs.peaks (4.27, 4.00, 62.89 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.94: * HA SER 138 + HB2 SER 138 OK 75 100 - 75 - 3.0=56, 4665/1.8=13...(16) HA SER 138 + HB3 SER 138 OK 75 100 - 75 - 3.0=56, 4665/1.8=13...(16) HA ALA 135 - HB2 SER 138 OK 24 96 - 25 - 4584=7, 4584/1.8=6...(8) HA ALA 135 - HB3 SER 138 OK 24 96 - 25 - 4584=7, 4584/1.8=6...(8) HA LEU 95 - HB2 SER 138 lone 7 94 - 7 - ~10345=1 HA LEU 95 - HB3 SER 138 lone 7 94 - 7 - ~10345=1 HB THR 99 - HB3 SER 138 lone 5 100 - 5 - 2.1/10159=2, ~10159=2 HB THR 99 - HB2 SER 138 lone 5 100 - 5 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB2 SER 138 lone 3 100 - 3 - HA ARG 49 - HB3 SER 138 lone 3 100 - 3 - HA2 GLY 50 - HB2 SER 138 lone 1 68 - 1 - HA2 GLY 50 - HB3 SER 138 lone 1 67 - 1 - HA3 GLY 78 - HB2 SER 138 lone 1 77 - 1 - HA3 GLY 78 - HB3 SER 138 lone 1 77 - 1 - Peak 4671 from aliabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 Peak 4672 from aliabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 Reference assignment not found: HB3 SER 138 - HB2 SER 138 Peak 4674 from aliabs.peaks (4.26, 4.00, 62.89 ppm; 2.50 A): 3 out of 16 assignments used, quality = 0.94: HA SER 138 + HB3 SER 138 OK 72 96 - 75 - 3.0=56, 4665/1.8=12...(16) HA SER 138 + HB2 SER 138 OK 72 96 - 75 - 3.0=56, 4665/1.8=12...(16) * HA ALA 135 + HB3 SER 138 OK 26 100 - 26 - 4584=7, 4584/1.8=7...(8) HA ALA 135 - HB2 SER 138 OK 26 100 - 26 - 4584=7, 4584/1.8=7...(8) HA LEU 95 - HB3 SER 138 lone 5 72 - 7 - ~10345=1 HA LEU 95 - HB2 SER 138 lone 5 72 - 7 - ~10345=1 HB THR 99 - HB3 SER 138 lone 5 96 - 5 - 2.1/10159=2, ~10159=2 HB THR 99 - HB2 SER 138 lone 5 96 - 5 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB3 SER 138 lone 3 96 - 3 - HA ARG 49 - HB2 SER 138 lone 3 96 - 3 - HB THR 92 - HB3 SER 138 lone 1 81 - 2 - HB THR 92 - HB2 SER 138 lone 1 81 - 2 - HA2 GLY 50 - HB3 SER 138 lone 1 92 - 1 - HA2 GLY 50 - HB2 SER 138 lone 1 91 - 1 - HA GLU 142 - HB3 SER 138 lone 1 72 - 1 - HA GLU 142 - HB2 SER 138 lone 1 72 - 1 - Peak 4676 from aliabs.peaks (4.27, 4.00, 62.89 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.94: * HA SER 138 + HB3 SER 138 OK 75 100 - 75 - 3.0=56, 4665/1.8=13...(16) HA SER 138 + HB2 SER 138 OK 75 100 - 75 - 3.0=56, 4665/1.8=13...(16) HA ALA 135 - HB3 SER 138 OK 24 96 - 25 - 4584=7, 4584/1.8=6...(8) HA ALA 135 - HB2 SER 138 OK 24 96 - 25 - 4584=7, 4584/1.8=6...(8) HA LEU 95 - HB3 SER 138 lone 7 94 - 7 - ~10345=1 HA LEU 95 - HB2 SER 138 lone 7 94 - 7 - ~10345=1 HB THR 99 - HB3 SER 138 lone 5 100 - 5 - 2.1/10159=2, ~10159=2 HB THR 99 - HB2 SER 138 lone 5 100 - 5 - 2.1/10159=2, ~10159=2 HA ARG 49 - HB3 SER 138 lone 3 100 - 3 - HA ARG 49 - HB2 SER 138 lone 3 100 - 3 - HA2 GLY 50 - HB3 SER 138 lone 1 68 - 1 - HA2 GLY 50 - HB2 SER 138 lone 1 67 - 1 - HA3 GLY 78 - HB3 SER 138 lone 1 77 - 1 - HA3 GLY 78 - HB2 SER 138 lone 1 77 - 1 - Peak 4677 from aliabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 Reference assignment not found: HB2 SER 138 - HB3 SER 138 Peak 4678 from aliabs.peaks (4.00, 4.00, 62.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 138 + HB3 SER 138 OK 100 100 - 100 HB2 SER 138 + HB2 SER 138 OK 100 100 - 100 Peak 4681 from aliabs.peaks (4.65, 4.65, 54.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 139 + HA ASN 139 OK 100 100 - 100 Peak 4682 from aliabs.peaks (2.83, 4.65, 54.54 ppm; 2.73 A): 3 out of 4 assignments used, quality = 0.93: * HB2 ASN 139 + HA ASN 139 OK 87 100 - 87 - 3.0=73, 4688/3.0=17...(11) HE3 LYS 114 + HA ASN 139 OK 28 92 - 30 - 3.0/9339=6, 7795/3.0=3...(11) HB2 ASP 40 + HA ASN 139 OK 25 100 - 25 - 3.0/10357=4, 4689=4...(8) HB2 ASN 130 - HA ASN 139 lone 6 98 - 6 - Peak 4683 from aliabs.peaks (2.80, 4.65, 54.54 ppm; 2.71 A): 2 out of 4 assignments used, quality = 0.88: * HB3 ASN 139 + HA ASN 139 OK 85 100 - 85 - 3.0=71, 4696/3.0=19...(9) HB3 ASP 41 + HA ASN 139 OK 17 98 - 18 - 7796/3.0=3, 4691/3.0=3...(8) HB2 ASN 128 - HA ASN 139 lone 9 100 - 9 - 4691/3.0=2, ~4343=1, 7796/3.0=1 HB3 ASN 84 - HA ASN 139 lone 5 81 - 6 - 3.0/10357=4 Peak 4687 from aliabs.peaks (3.71, 2.83, 39.01 ppm; 4.33 A): 5 out of 8 assignments used, quality = 0.94: * HA ILE 136 + HB2 ASN 139 OK 86 100 - 86 - 4600=38, 4601/1.8=33...(12) HA ILE 91 + HB2 ASN 139 OK 26 98 - 26 - 9750/3.5=8, 4695/1.8=7...(6) HA THR 107 + HB2 ASN 139 OK 22 99 - 22 - 4695/1.8=6, 7787/4.0=5...(5) HB THR 74 + HB2 ASN 139 OK 14 94 - 15 - 4695/1.8=3, 7787/4.0=3...(5) HA ILE 136 + HB2 ASP 40 OK 10 57 - 18 - 4600=6, 4599/7795=2...(5) HA THR 107 - HB2 ASP 40 lone 3 55 - 5 - HA ILE 91 - HB2 ASP 40 lone 3 53 - 5 - HB THR 74 - HB2 ASP 40 lone 2 50 - 4 - Peak 4689 from aliabs.peaks (4.65, 2.83, 39.01 ppm; 3.26 A): 1 out of 12 assignments used, quality = 1.00: * HA ASN 139 + HB2 ASN 139 OK 100 100 - 100 - 3.0=100 HA ASN 139 - HB2 ASP 40 OK 22 57 - 39 - 4682=9, 10357/3.0=7...(13) HA GLN 111 - HB2 ASN 139 OK 14 77 - 18 - 4697/1.8=3, ~10494=2...(5) HA LEU 87 - HB2 ASN 139 OK 11 81 - 14 - ~10495=3, 4697/1.8=3, 7808/3.5=1 HA ASP 32 - HB2 ASN 139 OK 10 99 - 10 - 4697/1.8=2, 7802/3.5=1...(4) HA GLN 62 - HB2 ASN 139 lone 8 85 - 9 - 4697/1.8=2, ~6585=2...(4) HA ASP 32 - HB2 ASP 40 lone 2 55 - 3 - HA GLN 111 - HB2 ASP 40 lone 1 37 - 4 - 3613/4.4=1 HA LEU 87 - HB2 ASP 40 lone 1 40 - 3 - HA ASP 16 - HB2 ASN 139 lone 1 94 - 1 - HA ASP 16 - HB2 ASP 40 lone 1 50 - 1 - HA GLN 62 - HB2 ASP 40 lone 0 43 - 1 - Peak 4690 from aliabs.peaks (2.83, 2.83, 39.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 139 + HB2 ASN 139 OK 100 100 - 100 HB2 ASP 40 + HB2 ASP 40 OK 57 57 - 100 Peak 4691 from aliabs.peaks (2.80, 2.83, 39.01 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASN 139 + HB2 ASN 139 OK 100 100 - 100 - 1.8=100 HB3 ASP 41 - HB2 ASN 139 OK 18 98 - 19 - 4683/3.0=3, 7810/3.5=3...(10) HB3 ASN 139 - HB2 ASP 40 OK 15 57 - 25 - 4698=8, 3.0/4682=3...(10) HB2 ASN 128 - HB2 ASN 139 OK 11 100 - 11 - ~4343=2, ~4343=1...(5) HB3 ASP 41 - HB2 ASP 40 lone 4 53 - 8 - 6299/4.4=6 HB3 ASN 84 - HB2 ASP 40 lone 4 40 - 9 - 2563/3.0=2, ~2560=1...(4) HB3 ASN 84 - HB2 ASN 139 lone 3 81 - 4 - ~10357=1 HB2 ASN 128 - HB2 ASP 40 lone 1 57 - 1 - Peak 4695 from aliabs.peaks (3.71, 2.80, 39.01 ppm; 4.48 A): 4 out of 4 assignments used, quality = 0.94: * HA ILE 136 + HB3 ASN 139 OK 87 100 - 87 - 4601=37, 4600/1.8=36...(12) HA ILE 91 + HB3 ASN 139 OK 29 98 - 30 - 9750/3.5=8, 4687/1.8=6...(9) HA THR 107 + HB3 ASN 139 OK 25 99 - 25 - 4687/1.8=6, 7787/4.0=5...(8) HB THR 74 + HB3 ASN 139 OK 15 94 - 16 - 4687/1.8=4, 7787/4.0=3...(6) Peak 4697 from aliabs.peaks (4.65, 2.80, 39.01 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HA ASN 139 + HB3 ASN 139 OK 100 100 - 100 - 3.0=100 HA GLN 111 - HB3 ASN 139 OK 13 77 - 17 - 2.9/10494=3, 4689/1.8=3...(5) HA LEU 87 - HB3 ASN 139 OK 11 81 - 14 - 3.0/10495=4, 4689/1.8=2 HA ASP 32 - HB3 ASN 139 OK 10 99 - 10 - 4689/1.8=2, 7802/3.5=1...(4) HA GLN 62 - HB3 ASN 139 lone 8 85 - 9 - 4689/1.8=2, ~6585=2...(4) HA ASP 16 - HB3 ASN 139 lone 1 94 - 1 - Peak 4698 from aliabs.peaks (2.83, 2.80, 39.01 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 139 + HB3 ASN 139 OK 100 100 - 100 - 1.8=100 HB2 ASP 40 - HB3 ASN 139 OK 23 100 - 23 - 4691=5, 4682/3.0=3...(10) HE3 LYS 114 - HB3 ASN 139 OK 20 92 - 22 - 4682/3.0=3, ~9339=3...(13) HB2 ASN 130 - HB3 ASN 139 lone 5 98 - 5 - Peak 4699 from aliabs.peaks (2.80, 2.80, 39.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 139 + HB3 ASN 139 OK 100 100 - 100 Peak 4704 from aliabs.peaks (4.29, 4.29, 57.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 140 + HA ARG 140 OK 100 100 - 100 Peak 4705 from aliabs.peaks (1.93, 4.29, 57.11 ppm; 2.65 A): 2 out of 12 assignments used, quality = 0.96: * HB2 ARG 140 + HA ARG 140 OK 91 100 - 91 - 3.0=69, 1.8/4724=11...(36) HB2 ARG 89 + HA ARG 140 OK 60 96 - 62 - 4705=11, 1.8/4706=7...(28) HB2 PRO 118 - HA ARG 140 OK 36 100 - 37 - 4705=6, 1.8/3956=3...(11) HB ILE 136 - HA ARG 140 OK 27 92 - 29 - 2.1/10329=4, 2.9/4707=2...(8) HG13 ILE 83 - HA ARG 140 OK 11 100 - 11 - HG3 PRO 12 - HA ARG 140 lone 8 99 - 8 - 4705=1, 1.8/4705=1 HB3 PRO 52 - HA ARG 140 lone 6 85 - 7 - 4705=1 HG2 PRO 52 - HA ARG 140 lone 5 81 - 6 - 4705=1 HB2 LYS 86 - HA ARG 140 lone 4 98 - 4 - HB3 LEU 132 - HA ARG 140 lone 4 81 - 4 - QE MET 68 - HA ARG 140 lone 2 77 - 3 - HB2 MET 59 - HA ARG 140 lone 1 62 - 1 - Peak 4706 from aliabs.peaks (1.89, 4.29, 57.11 ppm; 2.75 A): 2 out of 9 assignments used, quality = 0.97: * HB3 ARG 140 + HA ARG 140 OK 94 100 - 94 - 3.0=76, 1.8/4705=12...(38) HB3 ARG 89 + HA ARG 140 OK 59 92 - 65 - 4706=11, 1.8/4705=8...(32) HB3 ARG 141 - HA ARG 140 OK 44 99 - 45 - 4.0/4711=9, 4706=8...(18) HB3 GLN 111 - HA ARG 140 OK 20 96 - 20 - 4706=4, 2.9/10370=3...(6) HB3 LYS 93 - HA ARG 140 OK 17 100 - 17 - 4706=3, 7835/3.6=1...(6) HB ILE 101 - HA ARG 140 OK 14 77 - 18 - 4706=3, 2.1/10366=2...(6) HB2 GLN 62 - HA ARG 140 lone 9 98 - 9 - 4705=2, 1757/4.9=1 HB3 LYS 24 - HA ARG 140 lone 5 96 - 5 - HB3 LEU 69 - HA ARG 140 lone 4 72 - 6 - Peak 4707 from aliabs.peaks (1.65, 4.29, 57.11 ppm; 3.04 A): 2 out of 12 assignments used, quality = 0.96: * HG2 ARG 140 + HA ARG 140 OK 90 100 - 90 - 3.8=50, 1.8/4742=16...(37) HG2 ARG 89 + HA ARG 140 OK 60 81 - 74 - 2875=11, 1.8/2883=10...(43) HG13 ILE 136 - HA ARG 140 OK 28 77 - 36 - 2.3/10329=5, 4707=5...(15) HG2 ARG 124 - HA ARG 140 OK 24 100 - 24 - 4707=3, 4727/3.0=2...(8) HD3 LYS 93 - HA ARG 140 OK 14 85 - 16 - 4707=2, 3.4/4706=1...(5) HB2 LYS 114 - HA ARG 140 OK 13 99 - 13 - 3741/4.9=3, 4707=2...(4) HB2 LEU 95 - HA ARG 140 poor 9 81 - 10 - 4707=2 HB VAL 71 - HA ARG 140 lone 7 81 - 8 - 4707=1 HB2 PRO 57 - HA ARG 140 lone 5 100 - 4 - HD2 LYS 48 - HA ARG 140 lone 4 81 - 5 - 7836/3.6=1 HB2 ARG 145 - HA ARG 140 lone 3 68 - 4 - HB3 LEU 26 - HA ARG 140 lone 1 92 - 1 - Peak 4708 from aliabs.peaks (1.74, 4.29, 57.11 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.95: * HG3 ARG 140 + HA ARG 140 OK 91 100 - 91 - 3.8=53, 1.8/4733=17...(39) HG3 ARG 89 + HA ARG 140 OK 46 62 - 75 - 4708=11, 1.8/2875=11...(43) HB2 ARG 49 - HA ARG 140 OK 26 100 - 26 - 4708=6, 1.8/1257=2...(9) HB2 GLU 81 - HA ARG 140 OK 13 100 - 13 - 4708=3, 1.8/4708=2, 7827/2.9=1 HB3 ARG 144 - HA ARG 140 poor 10 85 - 11 - 4708=2, 7837/3.6=2, 7827/2.9=2 HB3 GLU 81 - HA ARG 140 poor 9 72 - 12 - 4708=2, 1.8/4708=2 HD2 LYS 36 - HA ARG 140 lone 8 92 - 8 - 4708=2, 7837/3.6=2, 7827/2.9=1 HB ILE 58 - HA ARG 140 lone 3 92 - 3 - Peak 4709 from aliabs.peaks (3.22, 4.29, 57.11 ppm; 3.41 A): 2 out of 8 assignments used, quality = 0.99: * HD2 ARG 140 + HA ARG 140 OK 92 100 - 92 - 5.4=26, 2.9/4733=14...(53) HD3 ARG 140 + HA ARG 140 OK 91 100 - 91 - 5.4=26, 2.9/4733=14...(49) HD3 ARG 141 - HA ARG 140 OK 44 85 - 51 - 4710=7, 6.0/4711=6...(32) HD2 ARG 141 - HA ARG 140 OK 34 68 - 51 - 6.0/4711=6, 4710=5...(32) HD3 ARG 124 - HA ARG 140 OK 21 96 - 22 - 4710=4, 4253/3.8=3...(8) HG3 MET 46 - HA ARG 140 lone 8 100 - 8 - 4710=1, ~10684=1 HB3 TYR 117 - HA ARG 140 lone 4 100 - 4 - HD2 ARG 55 - HA ARG 140 lone 1 62 - 1 - Peak 4710 from aliabs.peaks (3.22, 4.29, 57.11 ppm; 3.41 A): 2 out of 8 assignments used, quality = 0.99: HD2 ARG 140 + HA ARG 140 OK 92 100 - 92 - 5.4=26, 2.9/4733=14...(53) * HD3 ARG 140 + HA ARG 140 OK 91 100 - 91 - 5.4=26, 2.9/4733=14...(49) HD3 ARG 141 - HA ARG 140 OK 44 85 - 51 - 4710=7, 6.0/4711=6...(32) HD2 ARG 141 - HA ARG 140 OK 34 68 - 51 - 6.0/4711=6, 4710=5...(32) HD3 ARG 124 - HA ARG 140 OK 21 96 - 22 - 4710=4, 4253/3.8=3...(8) HG3 MET 46 - HA ARG 140 lone 8 100 - 8 - 4710=1, ~10684=1 HB3 TYR 117 - HA ARG 140 lone 4 100 - 4 - HD2 ARG 55 - HA ARG 140 lone 1 62 - 1 - Peak 4712 from aliabs.peaks (4.47, 1.93, 30.10 ppm; 3.78 A): 5 out of 10 assignments used, quality = 0.86: * HA ASP 137 + HB2 ARG 140 OK 71 100 - 71 - 4722/1.8=17...(19) HA SER 103 + HB2 ARG 140 OK 23 100 - 23 - 4722/1.8=6, 10369/3.0=5...(6) HA ASP 41 + HB2 ARG 140 OK 18 100 - 18 - 7814/4.0=4, 4722/1.8=4...(4) HA ASP 137 + HB2 PRO 118 OK 16 97 - 16 - 4649=3, 2.9/7761=2...(4) HA SER 44 + HB2 ARG 140 OK 11 94 - 12 - 4722/1.8=3, 996/4.0=3...(4) HA3 GLY 31 - HB2 ARG 140 lone 8 100 - 8 - 4722/1.8=2, 10369/3.0=2...(4) HA SER 44 - HB2 PRO 118 lone 4 89 - 4 - 9817/1.8=1 HA SER 103 - HB2 PRO 118 lone 3 97 - 3 - HA ASP 41 - HB2 PRO 118 lone 3 96 - 3 - HA3 GLY 31 - HB2 PRO 118 lone 2 97 - 2 - Peak 4714 from aliabs.peaks (4.29, 1.93, 30.10 ppm; 2.87 A): 3 out of 10 assignments used, quality = 1.00: * HA ARG 140 + HB2 ARG 140 OK 97 100 - 97 - 3.0=86, 4724/1.8=13...(39) HA PRO 118 + HB2 PRO 118 OK 97 97 - 100 - 2.3=100 HA ARG 89 + HB2 ARG 140 OK 61 92 - 66 - 2850=9, 4724/1.8=8...(40) HA PRO 118 - HB2 ARG 140 OK 45 100 - 45 - 4724/1.8=5, 4742/2.9=4...(25) HA ARG 140 - HB2 PRO 118 OK 39 97 - 40 - 4705=7, 3956/1.8=4...(17) HA ARG 89 - HB2 PRO 118 OK 20 86 - 23 - 2850=3, 3.0/2868=2...(11) HA SER 100 - HB2 PRO 118 OK 11 86 - 13 - 2.9/9166=2, 3307/3.0=2...(5) HA SER 100 - HB2 ARG 140 lone 5 92 - 5 - HA3 GLY 78 - HB2 ARG 140 lone 4 62 - 6 - ~8691=1 HA3 GLY 78 - HB2 PRO 118 lone 2 57 - 3 - Peak 4715 from aliabs.peaks (1.93, 1.93, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 140 + HB2 ARG 140 OK 100 100 - 100 HB2 PRO 118 + HB2 PRO 118 OK 96 96 - 100 Peak 4716 from aliabs.peaks (1.89, 1.93, 30.10 ppm; 2.50 A): 3 out of 18 assignments used, quality = 1.00: * HB3 ARG 140 + HB2 ARG 140 OK 100 100 - 100 - 1.8=100 HB3 ARG 89 + HB2 ARG 140 OK 69 92 - 75 - 2868=11, 2.8/2884=5...(51) HB3 ARG 141 + HB2 ARG 140 OK 48 99 - 49 - 4725=5, 4.0/7834=5...(27) HB3 ARG 140 - HB2 PRO 118 OK 42 97 - 43 - 4725=6, 4724/2.3=3...(29) HB3 ARG 89 - HB2 PRO 118 OK 21 86 - 25 - 2868=3, 2867/2.3=2...(7) HB3 LYS 93 - HB2 ARG 140 OK 17 100 - 17 - 4735/2.9=1, 4744/2.9=1...(4) HB3 GLN 111 - HB2 ARG 140 OK 17 96 - 17 - 2.9/10374=3, 4706/3.0=1...(5) HB ILE 101 - HB2 ARG 140 OK 15 77 - 20 - 4735/2.9=1, 4744/2.9=1...(7) HB2 GLN 62 - HB2 ARG 140 lone 8 98 - 8 - 1.8/1766=1 HB3 LYS 24 - HB2 ARG 140 lone 5 96 - 5 - HB3 GLN 111 - HB2 PRO 118 lone 5 91 - 5 - 3631/2.3=1 HB3 LYS 24 - HB2 PRO 118 lone 4 91 - 4 - ~11316=1 HB3 LEU 69 - HB2 ARG 140 lone 4 72 - 5 - HB2 GLN 62 - HB2 PRO 118 lone 3 93 - 4 - HB3 ARG 141 - HB2 PRO 118 lone 3 95 - 3 - HB3 LEU 69 - HB2 PRO 118 lone 3 67 - 4 - HB3 LYS 93 - HB2 PRO 118 lone 2 97 - 2 - HB ILE 101 - HB2 PRO 118 lone 2 71 - 2 - Peak 4717 from aliabs.peaks (1.65, 1.93, 30.10 ppm; 2.85 A): 2 out of 24 assignments used, quality = 1.00: * HG2 ARG 140 + HB2 ARG 140 OK 99 100 - 99 - 2.9=91, 4735/1.8=13...(65) HG2 ARG 89 + HB2 ARG 140 OK 70 81 - 87 - 1.8/2884=10, 2876=9...(76) HG2 ARG 140 - HB2 PRO 118 OK 44 97 - 46 - 4734=6, 4733/2.3=5...(18) HG2 ARG 124 - HB2 ARG 140 OK 39 100 - 39 - 4229/3.4=4, 4229/3.4=4...(13) HG13 ILE 136 - HB2 ARG 140 OK 39 77 - 50 - 4727/1.8=3, 2.3/4613=3...(28) HG13 ILE 136 - HB2 PRO 118 OK 27 71 - 38 - ~9667=4, ~9667=3...(18) HG2 ARG 89 - HB2 PRO 118 OK 23 76 - 31 - 2875/2.3=3, 1.8/2884=3...(17) HD3 LYS 93 - HB2 ARG 140 OK 18 85 - 20 - 4727/1.8=2, ~3070=1...(4) HB3 LEU 26 - HB2 PRO 118 poor 10 86 - 11 - 252/3.0=1 HB2 LYS 114 - HB2 ARG 140 lone 8 99 - 8 - 4707/3.0=1 HB2 LEU 95 - HB2 ARG 140 lone 8 81 - 10 - HB VAL 71 - HB2 PRO 118 lone 7 76 - 9 - ~9894=2, 2.1/8520=1, 2.1/8514=1 HB VAL 71 - HB2 ARG 140 lone 6 81 - 8 - 2.1/8520=1, ~8520=1 HB2 PRO 57 - HB2 ARG 140 lone 6 100 - 6 - HD2 LYS 48 - HB2 ARG 140 lone 4 81 - 5 - HB2 LEU 95 - HB2 PRO 118 lone 4 76 - 5 - HB2 PRO 57 - HB2 PRO 118 lone 3 96 - 3 - HB3 LEU 26 - HB2 ARG 140 lone 2 92 - 3 - HB2 ARG 145 - HB2 ARG 140 lone 2 68 - 4 - HG2 ARG 124 - HB2 PRO 118 lone 2 97 - 2 - HD3 LYS 93 - HB2 PRO 118 lone 2 80 - 2 - HB2 LYS 114 - HB2 PRO 118 lone 1 95 - 1 - HD2 LYS 48 - HB2 PRO 118 lone 1 76 - 1 - HB2 ARG 145 - HB2 PRO 118 lone 0 62 - 1 - Peak 4718 from aliabs.peaks (1.74, 1.93, 30.10 ppm; 2.72 A): 2 out of 16 assignments used, quality = 0.98: * HG3 ARG 140 + HB2 ARG 140 OK 97 100 - 97 - 2.9=79, 4728/1.8=13...(59) HG3 ARG 89 + HB2 ARG 140 OK 51 62 - 82 - 1.8/2876=9, 4728/1.8=7...(69) HG3 ARG 140 - HB2 PRO 118 OK 41 97 - 43 - 4743=7, 4742/2.3=5...(14) HB2 ARG 49 - HB2 ARG 140 OK 22 100 - 22 - 4728/1.8=3, 4708/3.0=2...(7) HD2 LYS 36 - HB2 PRO 118 OK 17 86 - 20 - 2445/2.3=2, ~719=2...(10) HG3 ARG 89 - HB2 PRO 118 OK 15 57 - 26 - 1.8/2876=3, ~2875=2...(15) HB2 GLU 81 - HB2 PRO 118 OK 14 97 - 14 - 2445/2.3=2, ~2452=1, ~2452=1 HB2 GLU 81 - HB2 ARG 140 lone 9 100 - 9 - 4708/3.0=1, 4728/1.8=1 HB3 GLU 81 - HB2 PRO 118 poor 9 67 - 13 - 2452/2.3=1, ~2445=1, ~2445=1 HB3 GLU 81 - HB2 ARG 140 lone 6 72 - 8 - HB3 ARG 144 - HB2 ARG 140 lone 6 85 - 7 - HD2 LYS 36 - HB2 ARG 140 lone 6 92 - 6 - HB2 ARG 49 - HB2 PRO 118 lone 6 97 - 6 - HB ILE 58 - HB2 ARG 140 lone 3 92 - 4 - HB ILE 58 - HB2 PRO 118 lone 2 86 - 2 - HB3 ARG 144 - HB2 PRO 118 lone 1 80 - 1 - Peak 4719 from aliabs.peaks (3.22, 1.93, 30.10 ppm; 2.94 A): 2 out of 16 assignments used, quality = 1.00: * HD2 ARG 140 + HB2 ARG 140 OK 96 100 - 96 - 3.4=66, 2.9/4743=9...(67) HD3 ARG 140 + HB2 ARG 140 OK 96 100 - 96 - 3.4=66, 2.9/4743=9...(66) HD3 ARG 141 - HB2 ARG 140 OK 43 85 - 50 - 4825/1.8=3, 3.5/4716=3...(31) HD2 ARG 140 - HB2 PRO 118 OK 40 97 - 42 - 2.9/4743=4, 2.9/4734=3...(20) HD3 ARG 140 - HB2 PRO 118 OK 40 97 - 42 - 2.9/4743=4, 2.9/4734=3...(20) HD2 ARG 141 - HB2 ARG 140 OK 34 68 - 51 - 4825/1.8=3, 3.5/4716=3...(36) HG3 MET 46 - HB2 PRO 118 OK 29 97 - 30 - ~9415=5, 1080/1.8=4...(11) HD3 ARG 124 - HB2 ARG 140 OK 28 96 - 29 - 4739/2.9=3, 4748/2.9=2...(14) HB3 TYR 117 - HB2 PRO 118 OK 10 97 - 11 - ~11703=5, 2.7/9426=2, ~9425=2 HG3 MET 46 - HB2 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HB2 ARG 140 lone 6 100 - 6 - HD3 ARG 141 - HB2 PRO 118 lone 2 80 - 2 - HD3 ARG 124 - HB2 PRO 118 lone 1 91 - 2 - HD2 ARG 141 - HB2 PRO 118 lone 1 62 - 2 - HD2 ARG 55 - HB2 ARG 140 lone 0 62 - 1 - HD2 ARG 55 - HB2 PRO 118 lone 0 57 - 0 - Peak 4720 from aliabs.peaks (3.22, 1.93, 30.10 ppm; 2.94 A): 2 out of 16 assignments used, quality = 1.00: HD2 ARG 140 + HB2 ARG 140 OK 96 100 - 96 - 3.4=66, 2.9/4743=9...(67) * HD3 ARG 140 + HB2 ARG 140 OK 96 100 - 96 - 3.4=66, 2.9/4743=9...(66) HD3 ARG 141 - HB2 ARG 140 OK 43 85 - 50 - 4825/1.8=3, 3.5/4716=3...(31) HD2 ARG 140 - HB2 PRO 118 OK 40 97 - 42 - 2.9/4743=4, 2.9/4734=3...(20) HD3 ARG 140 - HB2 PRO 118 OK 40 97 - 42 - 2.9/4743=4, 2.9/4734=3...(20) HD2 ARG 141 - HB2 ARG 140 OK 34 68 - 51 - 4825/1.8=3, 3.5/4716=3...(36) HG3 MET 46 - HB2 PRO 118 OK 29 97 - 30 - ~9415=5, 1080/1.8=4...(11) HD3 ARG 124 - HB2 ARG 140 OK 28 96 - 29 - 4739/2.9=3, 4748/2.9=2...(14) HB3 TYR 117 - HB2 PRO 118 OK 10 97 - 11 - ~11703=5, 2.7/9426=2, ~9425=2 HG3 MET 46 - HB2 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HB2 ARG 140 lone 6 100 - 6 - HD3 ARG 141 - HB2 PRO 118 lone 2 80 - 2 - HD3 ARG 124 - HB2 PRO 118 lone 1 91 - 2 - HD2 ARG 141 - HB2 PRO 118 lone 1 62 - 2 - HD2 ARG 55 - HB2 ARG 140 lone 0 62 - 1 - HD2 ARG 55 - HB2 PRO 118 lone 0 57 - 0 - Peak 4722 from aliabs.peaks (4.47, 1.89, 30.10 ppm; 3.80 A): 5 out of 10 assignments used, quality = 0.86: * HA ASP 137 + HB3 ARG 140 OK 72 100 - 72 - 4712/1.8=17, 4650=16...(18) HA SER 103 + HB3 ARG 140 OK 24 100 - 24 - 3.0/10154=6, 4712/1.8=5...(6) HA ASP 41 + HB3 ARG 140 OK 18 100 - 19 - 7814/4.0=4, 4712/1.8=4...(4) HA SER 44 + HB3 ARG 140 OK 13 94 - 13 - 4712/1.8=3, 996/4.0=3...(5) HA ASP 137 + HB3 ARG 141 OK 11 70 - 16 - 4.9/9717=4, 4650=3...(6) HA3 GLY 31 - HB3 ARG 140 lone 8 100 - 8 - 4712/1.8=2, 10369/3.0=2...(4) HA SER 103 - HB3 ARG 141 lone 7 69 - 10 - 10151/3.0=2, 3.0/10154=2...(4) HA SER 44 - HB3 ARG 141 lone 2 62 - 3 - HA ASP 41 - HB3 ARG 141 lone 2 69 - 3 - HA3 GLY 31 - HB3 ARG 141 lone 1 69 - 1 - Peak 4724 from aliabs.peaks (4.29, 1.89, 30.10 ppm; 2.84 A): 2 out of 10 assignments used, quality = 0.98: * HA ARG 140 + HB3 ARG 140 OK 96 100 - 96 - 3.0=84, 4705/1.8=13...(38) HA ARG 89 + HB3 ARG 140 OK 59 92 - 64 - 2851=8, 4742/2.9=6...(40) HA PRO 118 - HB3 ARG 140 OK 39 100 - 39 - 4742/2.9=4, 4733/2.9=4...(19) HA ARG 140 - HB3 ARG 141 OK 33 70 - 47 - 4711/4.0=10, 4706=8...(20) HA ARG 89 - HB3 ARG 141 lone 6 59 - 9 - 2858/3.0=2, 2851=1 HA SER 100 - HB3 ARG 140 lone 5 92 - 5 - HA3 GLY 78 - HB3 ARG 140 lone 3 62 - 6 - ~8691=1 HA PRO 118 - HB3 ARG 141 lone 3 69 - 4 - 7833/4.0=1 HA SER 100 - HB3 ARG 141 lone 1 59 - 1 - HA3 GLY 78 - HB3 ARG 141 lone 0 37 - 1 - Peak 4725 from aliabs.peaks (1.93, 1.89, 30.10 ppm; 2.50 A): 2 out of 24 assignments used, quality = 1.00: * HB2 ARG 140 + HB3 ARG 140 OK 100 100 - 100 - 1.8=100 HB2 ARG 89 + HB3 ARG 140 OK 72 96 - 75 - 2861=11, 2.8/2885=5...(52) HB2 PRO 118 - HB3 ARG 140 OK 43 100 - 43 - 4716=6, 2.3/4724=3...(29) HB ILE 136 - HB3 ARG 140 OK 37 92 - 40 - 4734/2.9=3, 4743/2.9=3...(20) HB2 ARG 140 - HB3 ARG 141 OK 35 70 - 50 - 4716=7, 7834/4.0=5...(27) HG13 ILE 83 - HB3 ARG 140 OK 14 100 - 14 - ~10659=1, 4734/2.9=1, 4743/2.9=1 HG3 PRO 12 - HB3 ARG 140 lone 7 99 - 7 - HB2 ARG 89 - HB3 ARG 141 lone 6 64 - 10 - 7834/4.0=2, 2861=1 QE MET 68 - HB3 ARG 141 poor 6 47 - 12 - 1994/1.8=2, ~1972=2...(4) HB3 PRO 52 - HB3 ARG 140 lone 5 85 - 6 - HG2 PRO 52 - HB3 ARG 140 lone 5 81 - 6 - HB2 LYS 86 - HB3 ARG 140 lone 3 98 - 3 - HB3 LEU 132 - HB3 ARG 140 lone 3 81 - 4 - QE MET 68 - HB3 ARG 140 lone 3 77 - 4 - HB2 PRO 118 - HB3 ARG 141 lone 2 69 - 4 - HB ILE 136 - HB3 ARG 141 lone 2 59 - 3 - HG13 ILE 83 - HB3 ARG 141 lone 1 69 - 1 - HB2 MET 59 - HB3 ARG 140 lone 1 62 - 1 - HG3 PRO 12 - HB3 ARG 141 lone 0 67 - 1 - HB3 LEU 132 - HB3 ARG 141 lone 0 50 - 1 - HB2 LYS 86 - HB3 ARG 141 lone 0 66 - 1 - HB3 PRO 52 - HB3 ARG 141 lone 0 53 - 1 - HG2 PRO 52 - HB3 ARG 141 lone 0 50 - 0 - HB2 MET 59 - HB3 ARG 141 lone 0 37 - 0 - Peak 4726 from aliabs.peaks (1.89, 1.89, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 140 + HB3 ARG 140 OK 100 100 - 100 HB3 ARG 141 + HB3 ARG 141 OK 67 67 - 100 Peak 4727 from aliabs.peaks (1.65, 1.89, 30.10 ppm; 2.73 A): 2 out of 24 assignments used, quality = 0.99: * HG2 ARG 140 + HB3 ARG 140 OK 97 100 - 97 - 2.9=80, 1.8/4728=13...(56) HG2 ARG 89 + HB3 ARG 140 OK 67 81 - 83 - 1.8/2885=9, 2877=9...(72) HG13 ILE 136 - HB3 ARG 140 OK 37 77 - 49 - 3081=4, 4745/2.9=3...(27) HG2 ARG 140 - HB3 ARG 141 OK 37 70 - 52 - 4735=8, 1.8/4744=6...(25) HG2 ARG 124 - HB3 ARG 140 OK 35 100 - 35 - 4229/3.4=4, 4229/3.4=4...(10) HD3 LYS 93 - HB3 ARG 140 OK 17 85 - 20 - 1.8/3070=2, 3081=2...(8) HD3 LYS 93 - HB3 ARG 141 OK 13 53 - 25 - 1.8/3070=3, 3081=2...(7) HD2 LYS 48 - HB3 ARG 141 OK 13 50 - 26 - 1.8/4791=2, 1969/1.8=1...(8) HB3 LEU 26 - HB3 ARG 141 OK 11 59 - 18 - ~10505=4, 255/2.8=3...(5) HB2 LEU 95 - HB3 ARG 140 lone 8 81 - 9 - HB2 LYS 114 - HB3 ARG 140 lone 7 99 - 7 - HB VAL 71 - HB3 ARG 140 lone 6 81 - 7 - 2.1/8520=2 HB2 PRO 57 - HB3 ARG 140 lone 5 100 - 5 - HG2 ARG 89 - HB3 ARG 141 lone 4 50 - 9 - 7836/4.0=1 HD2 LYS 48 - HB3 ARG 140 lone 4 81 - 5 - HG2 ARG 124 - HB3 ARG 141 lone 4 70 - 5 - HB3 LEU 26 - HB3 ARG 140 lone 2 92 - 2 - HB2 ARG 145 - HB3 ARG 140 lone 2 68 - 3 - HG13 ILE 136 - HB3 ARG 141 lone 2 47 - 4 - HB2 LYS 114 - HB3 ARG 141 lone 1 67 - 2 - HB2 LEU 95 - HB3 ARG 141 lone 1 50 - 2 - HB VAL 71 - HB3 ARG 141 lone 1 50 - 2 - HB2 PRO 57 - HB3 ARG 141 lone 1 69 - 1 - HB2 ARG 145 - HB3 ARG 141 lone 1 40 - 1 - Peak 4728 from aliabs.peaks (1.74, 1.89, 30.10 ppm; 2.53 A): 2 out of 16 assignments used, quality = 0.96: * HG3 ARG 140 + HB3 ARG 140 OK 92 100 - 92 - 2.9=64, 1.8/4735=11...(53) HG3 ARG 89 + HB3 ARG 140 OK 47 62 - 75 - 1.8/2877=8, 2885=6...(51) HG3 ARG 140 - HB3 ARG 141 OK 32 70 - 45 - 4744=8, 1.8/4735=5...(20) HB2 ARG 49 - HB3 ARG 140 OK 18 100 - 18 - 4718/1.8=2, 4708/3.0=2...(5) HD2 LYS 36 - HB3 ARG 141 OK 15 59 - 26 - 712/1.8=3, 1.8/4788=3...(13) HB3 ARG 144 - HB3 ARG 141 OK 10 53 - 20 - 3.0/4798=2, 4896/2.8=2...(4) HB2 GLU 81 - HB3 ARG 140 lone 8 100 - 8 - 4708/3.0=1 HB3 GLU 81 - HB3 ARG 140 lone 5 72 - 7 - HB3 ARG 144 - HB3 ARG 140 lone 5 85 - 6 - HD2 LYS 36 - HB3 ARG 140 lone 5 92 - 5 - HB2 ARG 49 - HB3 ARG 141 lone 3 70 - 5 - HB ILE 58 - HB3 ARG 140 lone 3 92 - 3 - HG3 ARG 89 - HB3 ARG 141 lone 3 37 - 7 - 7837/4.0=1 HB2 GLU 81 - HB3 ARG 141 lone 1 70 - 2 - HB3 GLU 81 - HB3 ARG 141 lone 1 43 - 2 - HB ILE 58 - HB3 ARG 141 lone 0 59 - 1 - Peak 4729 from aliabs.peaks (3.22, 1.89, 30.10 ppm; 2.91 A): 3 out of 16 assignments used, quality = 1.00: HD3 ARG 140 + HB3 ARG 140 OK 96 100 - 96 - 3.4=64, 2.9/4728=10...(64) * HD2 ARG 140 + HB3 ARG 140 OK 96 100 - 96 - 3.4=64, 2.9/4728=10...(63) HD3 ARG 141 + HB3 ARG 141 OK 49 53 - 92 - 3.5=57, 3.0/4807=11...(45) HD2 ARG 140 - HB3 ARG 141 OK 38 70 - 55 - 4753=5, 2.9/4744=4...(34) HD3 ARG 141 - HB3 ARG 140 OK 38 85 - 44 - 3.0/4807=5, 4825=4...(18) HD2 ARG 141 - HB3 ARG 141 OK 37 40 - 92 - 3.5=57, 3.0/4807=11...(43) HD3 ARG 140 - HB3 ARG 141 OK 36 70 - 51 - 4762=5, 2.9/4744=4...(28) HD2 ARG 141 - HB3 ARG 140 OK 30 68 - 45 - 3.0/4807=5, 4825=4...(24) HD3 ARG 124 - HB3 ARG 140 OK 28 96 - 29 - 4739/2.9=3, 4748/2.9=2...(14) HG3 MET 46 - HB3 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HB3 ARG 140 lone 5 100 - 5 - HD2 ARG 55 - HB3 ARG 141 poor 4 37 - 10 - HD3 ARG 124 - HB3 ARG 141 lone 3 64 - 5 - HG3 MET 46 - HB3 ARG 141 lone 1 69 - 1 - HD2 ARG 55 - HB3 ARG 140 lone 1 62 - 1 - HB3 TYR 117 - HB3 ARG 141 lone 0 70 - 1 - Peak 4730 from aliabs.peaks (3.22, 1.89, 30.10 ppm; 2.91 A): 3 out of 16 assignments used, quality = 1.00: * HD3 ARG 140 + HB3 ARG 140 OK 96 100 - 96 - 3.4=64, 2.9/4728=10...(64) HD2 ARG 140 + HB3 ARG 140 OK 96 100 - 96 - 3.4=64, 2.9/4728=10...(63) HD3 ARG 141 + HB3 ARG 141 OK 49 53 - 92 - 3.5=57, 3.0/4807=11...(45) HD2 ARG 140 - HB3 ARG 141 OK 38 70 - 55 - 4753=5, 2.9/4744=4...(34) HD3 ARG 141 - HB3 ARG 140 OK 38 85 - 44 - 3.0/4807=5, 4825=4...(18) HD2 ARG 141 - HB3 ARG 141 OK 37 40 - 92 - 3.5=57, 3.0/4807=11...(43) HD3 ARG 140 - HB3 ARG 141 OK 36 70 - 51 - 4762=5, 2.9/4744=4...(28) HD2 ARG 141 - HB3 ARG 140 OK 30 68 - 45 - 3.0/4807=5, 4825=4...(24) HD3 ARG 124 - HB3 ARG 140 OK 28 96 - 29 - 4739/2.9=3, 4748/2.9=2...(14) HG3 MET 46 - HB3 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HB3 ARG 140 lone 5 100 - 5 - HD2 ARG 55 - HB3 ARG 141 poor 4 37 - 10 - HD3 ARG 124 - HB3 ARG 141 lone 3 64 - 5 - HG3 MET 46 - HB3 ARG 141 lone 1 69 - 1 - HD2 ARG 55 - HB3 ARG 140 lone 1 62 - 1 - HB3 TYR 117 - HB3 ARG 141 lone 0 70 - 1 - Peak 4733 from aliabs.peaks (4.29, 1.65, 27.04 ppm; 3.08 A): 2 out of 5 assignments used, quality = 0.97: * HA ARG 140 + HG2 ARG 140 OK 91 100 - 91 - 3.8=52, 4742/1.8=16...(39) HA ARG 89 + HG2 ARG 140 OK 62 92 - 68 - 4742/1.8=11, 3.0/4734=7...(33) HA PRO 118 - HG2 ARG 140 OK 41 100 - 42 - 4742/1.8=7, 2.3/4734=5...(17) HA SER 100 - HG2 ARG 140 lone 5 92 - 5 - HA3 GLY 78 - HG2 ARG 140 lone 4 62 - 6 - ~8691=2, ~8697=1 Peak 4734 from aliabs.peaks (1.93, 1.65, 27.04 ppm; 2.56 A): 2 out of 12 assignments used, quality = 0.98: * HB2 ARG 140 + HG2 ARG 140 OK 93 100 - 93 - 2.9=66, 1.8/4735=11...(51) HB2 ARG 89 + HG2 ARG 140 OK 69 96 - 72 - 4743/1.8=8, 1.8/4735=8...(39) HB ILE 136 - HG2 ARG 140 OK 42 92 - 46 - 2.1/11574=5, 4743/1.8=5...(22) HB2 PRO 118 - HG2 ARG 140 OK 37 100 - 37 - 2.3/4733=4, 4743/1.8=4...(9) HG13 ILE 83 - HG2 ARG 140 OK 18 100 - 18 - 3.2/10659=4, 4743/1.8=2...(5) HG3 PRO 12 - HG2 ARG 140 lone 6 99 - 6 - HB3 PRO 52 - HG2 ARG 140 lone 4 85 - 5 - HG2 PRO 52 - HG2 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HG2 ARG 140 lone 4 81 - 5 - QE MET 68 - HG2 ARG 140 lone 4 77 - 5 - HB2 LYS 86 - HG2 ARG 140 lone 3 98 - 3 - HB2 MET 59 - HG2 ARG 140 lone 1 62 - 1 - Peak 4735 from aliabs.peaks (1.89, 1.65, 27.04 ppm; 2.59 A): 3 out of 9 assignments used, quality = 0.99: * HB3 ARG 140 + HG2 ARG 140 OK 93 100 - 93 - 2.9=68, 4728/1.8=12...(51) HB3 ARG 89 + HG2 ARG 140 OK 66 92 - 72 - 1.8/4734=8, 4744/1.8=8...(41) HB3 ARG 141 + HG2 ARG 140 OK 45 99 - 46 - 4744/1.8=5, 4727=4...(22) HB3 LYS 93 - HG2 ARG 140 OK 20 100 - 19 - 3041=3, 4744/1.8=2...(4) HB ILE 101 - HG2 ARG 140 OK 18 77 - 23 - 2.1/11574=3, 3.2/11574=3...(7) HB3 GLN 111 - HG2 ARG 140 OK 15 96 - 15 - ~10374=2, 2.9/3614=2...(4) HB2 GLN 62 - HG2 ARG 140 lone 7 98 - 7 - 4734=1 HB3 LYS 24 - HG2 ARG 140 lone 6 96 - 6 - HB3 LEU 69 - HG2 ARG 140 lone 5 72 - 7 - Peak 4736 from aliabs.peaks (1.65, 1.65, 27.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 140 + HG2 ARG 140 OK 100 100 - 100 Peak 4737 from aliabs.peaks (1.74, 1.65, 27.04 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 140 + HG2 ARG 140 OK 100 100 - 100 - 1.8=100 HG3 ARG 89 - HG2 ARG 140 OK 42 62 - 68 - 2.8/4734=5, 2.8/4735=5...(48) HB2 ARG 49 - HG2 ARG 140 OK 18 100 - 18 - 3.0/4733=2, 4728/2.9=1...(9) HB2 GLU 81 - HG2 ARG 140 lone 6 100 - 6 - HB3 ARG 144 - HG2 ARG 140 lone 4 85 - 5 - HB3 GLU 81 - HG2 ARG 140 lone 4 72 - 6 - HD2 LYS 36 - HG2 ARG 140 lone 4 92 - 4 - HB ILE 58 - HG2 ARG 140 lone 3 92 - 3 - Peak 4738 from aliabs.peaks (3.22, 1.65, 27.04 ppm; 2.68 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 140 + HG2 ARG 140 OK 93 100 - 93 - 2.9=75, 4747/1.8=11...(43) HD3 ARG 140 + HG2 ARG 140 OK 93 100 - 93 - 2.9=75, 4748/1.8=11...(42) HD3 ARG 141 - HG2 ARG 140 OK 30 85 - 35 - 4748/1.8=3, 3.5/4735=3...(15) HD3 ARG 124 - HG2 ARG 140 OK 29 96 - 30 - 1.8/4244=3, 4748/1.8=3...(15) HD2 ARG 141 - HG2 ARG 140 OK 24 68 - 35 - 3.5/4735=3, 4748/1.8=3...(13) HG3 MET 46 - HG2 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HG2 ARG 140 lone 4 100 - 4 - HD2 ARG 55 - HG2 ARG 140 lone 0 62 - 1 - Peak 4739 from aliabs.peaks (3.22, 1.65, 27.04 ppm; 2.68 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 140 + HG2 ARG 140 OK 93 100 - 93 - 2.9=75, 4747/1.8=11...(43) * HD3 ARG 140 + HG2 ARG 140 OK 93 100 - 93 - 2.9=75, 4748/1.8=11...(42) HD3 ARG 141 - HG2 ARG 140 OK 30 85 - 35 - 4748/1.8=3, 3.5/4735=3...(15) HD3 ARG 124 - HG2 ARG 140 OK 29 96 - 30 - 1.8/4244=3, 4748/1.8=3...(15) HD2 ARG 141 - HG2 ARG 140 OK 24 68 - 35 - 3.5/4735=3, 4748/1.8=3...(13) HG3 MET 46 - HG2 ARG 140 lone 7 100 - 7 - HB3 TYR 117 - HG2 ARG 140 lone 4 100 - 4 - HD2 ARG 55 - HG2 ARG 140 lone 0 62 - 1 - Peak 4742 from aliabs.peaks (4.29, 1.74, 27.04 ppm; 2.99 A): 3 out of 5 assignments used, quality = 0.97: * HA ARG 140 + HG3 ARG 140 OK 88 100 - 88 - 3.8=48, 4733/1.8=16...(35) HA ARG 89 + HG3 ARG 140 OK 58 92 - 63 - 4733/1.8=10, 3.0/4743=7...(29) HA PRO 118 + HG3 ARG 140 OK 39 100 - 39 - 4733/1.8=7, 2.3/4743=5...(15) HA SER 100 - HG3 ARG 140 lone 4 92 - 5 - HA3 GLY 78 - HG3 ARG 140 lone 4 62 - 6 - ~8691=2, 3.0/8697=1 Peak 4743 from aliabs.peaks (1.93, 1.74, 27.04 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.97: * HB2 ARG 140 + HG3 ARG 140 OK 91 100 - 91 - 2.9=61, 1.8/4728=11...(52) HB2 ARG 89 + HG3 ARG 140 OK 67 96 - 69 - 4734/1.8=8, 1.8/4744=8...(41) HB ILE 136 - HG3 ARG 140 OK 39 92 - 43 - 2.1/11575=5, 4734/1.8=4...(20) HB2 PRO 118 - HG3 ARG 140 OK 36 100 - 36 - 4718=5, 2.3/4742=4...(9) HG13 ILE 83 - HG3 ARG 140 OK 16 100 - 16 - ~10659=2, 4734/1.8=2, ~10023=1 HG3 PRO 12 - HG3 ARG 140 lone 6 99 - 6 - HB3 PRO 52 - HG3 ARG 140 lone 4 85 - 5 - HG2 PRO 52 - HG3 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HG3 ARG 140 lone 3 81 - 4 - HB2 LYS 86 - HG3 ARG 140 lone 3 98 - 3 - QE MET 68 - HG3 ARG 140 lone 2 77 - 3 - HB2 MET 59 - HG3 ARG 140 lone 1 62 - 1 - Peak 4744 from aliabs.peaks (1.89, 1.74, 27.04 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.97: * HB3 ARG 140 + HG3 ARG 140 OK 91 100 - 91 - 2.9=61, 4735/1.8=11...(52) HB3 ARG 89 + HG3 ARG 140 OK 63 92 - 69 - 1.8/4743=8, 4735/1.8=8...(41) HB3 ARG 141 - HG3 ARG 140 OK 42 99 - 43 - 4728=6, 4735/1.8=5...(17) HB ILE 101 - HG3 ARG 140 OK 16 77 - 21 - 2.1/11016=3, 3.2/11575=2...(5) HB3 LYS 93 - HG3 ARG 140 OK 15 100 - 15 - 4735/1.8=2 HB3 GLN 111 - HG3 ARG 140 OK 14 96 - 14 - ~10374=2, 4735/1.8=2...(5) HB2 GLN 62 - HG3 ARG 140 lone 6 98 - 6 - 4743=1 HB3 LYS 24 - HG3 ARG 140 lone 4 96 - 4 - HB3 LEU 69 - HG3 ARG 140 lone 4 72 - 5 - Peak 4745 from aliabs.peaks (1.65, 1.74, 27.04 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 140 + HG3 ARG 140 OK 100 100 - 100 - 1.8=100 HG2 ARG 89 + HG3 ARG 140 OK 58 81 - 71 - 2.8/4743=5, 2.8/4744=5...(53) HG2 ARG 124 - HG3 ARG 140 OK 31 100 - 31 - 4229/2.9=4, 4229/2.9=4...(12) HG13 ILE 136 - HG3 ARG 140 OK 31 77 - 40 - 2.3/11575=5, ~11574=3...(21) HD3 LYS 93 - HG3 ARG 140 OK 11 85 - 13 - HB2 LYS 114 - HG3 ARG 140 lone 6 99 - 6 - HB2 LEU 95 - HG3 ARG 140 lone 5 81 - 6 - HB2 PRO 57 - HG3 ARG 140 lone 5 100 - 5 - HB VAL 71 - HG3 ARG 140 lone 4 81 - 5 - HD2 LYS 48 - HG3 ARG 140 lone 2 81 - 3 - HB2 ARG 145 - HG3 ARG 140 lone 2 68 - 3 - HB3 LEU 26 - HG3 ARG 140 lone 2 92 - 2 - Peak 4746 from aliabs.peaks (1.74, 1.74, 27.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 140 + HG3 ARG 140 OK 100 100 - 100 Peak 4747 from aliabs.peaks (3.22, 1.74, 27.04 ppm; 2.71 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 140 + HG3 ARG 140 OK 94 100 - 94 - 2.9=78, 4738/1.8=12...(45) HD3 ARG 140 + HG3 ARG 140 OK 94 100 - 94 - 2.9=78, 4739/1.8=12...(44) HD3 ARG 141 - HG3 ARG 140 OK 30 85 - 35 - 4739/1.8=4, 3.5/4744=3...(16) HD3 ARG 124 - HG3 ARG 140 OK 25 96 - 26 - 4739/1.8=4, 3.0/4745=3...(14) HD2 ARG 141 - HG3 ARG 140 OK 24 68 - 35 - 3.5/4744=3, 4739/1.8=3...(14) HG3 MET 46 - HG3 ARG 140 lone 7 100 - 6 - HB3 TYR 117 - HG3 ARG 140 lone 4 100 - 4 - HD2 ARG 55 - HG3 ARG 140 lone 0 62 - 1 - Peak 4748 from aliabs.peaks (3.22, 1.74, 27.04 ppm; 2.71 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 140 + HG3 ARG 140 OK 94 100 - 94 - 2.9=78, 4738/1.8=12...(45) * HD3 ARG 140 + HG3 ARG 140 OK 94 100 - 94 - 2.9=78, 4739/1.8=12...(44) HD3 ARG 141 - HG3 ARG 140 OK 30 85 - 35 - 4739/1.8=4, 3.5/4744=3...(16) HD3 ARG 124 - HG3 ARG 140 OK 25 96 - 26 - 4739/1.8=4, 3.0/4745=3...(14) HD2 ARG 141 - HG3 ARG 140 OK 24 68 - 35 - 3.5/4744=3, 4739/1.8=3...(14) HG3 MET 46 - HG3 ARG 140 lone 7 100 - 6 - HB3 TYR 117 - HG3 ARG 140 lone 4 100 - 4 - HD2 ARG 55 - HG3 ARG 140 lone 0 62 - 1 - Peak 4751 from aliabs.peaks (4.29, 3.22, 43.34 ppm; 3.79 A): 6 out of 10 assignments used, quality = 1.00: * HA ARG 140 + HD2 ARG 140 OK 96 100 - 96 - 5.4=35, 4733/2.9=17...(53) HA ARG 140 + HD3 ARG 140 OK 96 100 - 96 - 5.4=35, 4733/2.9=17...(49) HA ARG 89 + HD3 ARG 140 OK 75 92 - 82 - 4742/2.9=11, 4733/2.9=11...(43) HA ARG 89 + HD2 ARG 140 OK 74 92 - 81 - 4742/2.9=11, 4733/2.9=11...(41) HA PRO 118 + HD2 ARG 140 OK 55 100 - 55 - 4742/2.9=7, 4733/2.9=7...(30) HA PRO 118 + HD3 ARG 140 OK 55 100 - 55 - 4742/2.9=7, 4733/2.9=7...(30) HA3 GLY 78 - HD2 ARG 140 poor 9 62 - 14 - 3.0/8691=6, ~8691=4, ~8697=1 HA3 GLY 78 - HD3 ARG 140 poor 8 62 - 13 - 3.0/8691=4, ~8691=4, ~8697=1 HA SER 100 - HD2 ARG 140 lone 6 92 - 7 - HA SER 100 - HD3 ARG 140 lone 5 92 - 5 - Peak 4752 from aliabs.peaks (1.93, 3.22, 43.34 ppm; 3.13 A): 8 out of 24 assignments used, quality = 1.00: * HB2 ARG 140 + HD2 ARG 140 OK 99 100 - 99 - 3.4=80, 4743/2.9=10...(71) HB2 ARG 140 + HD3 ARG 140 OK 98 100 - 98 - 3.4=80, 4743/2.9=10...(70) HB2 ARG 89 + HD3 ARG 140 OK 82 96 - 85 - 2865/1.8=9, 4743/2.9=8...(73) HB2 ARG 89 + HD2 ARG 140 OK 80 96 - 84 - 2865=8, 4743/2.9=8...(69) HB ILE 136 + HD2 ARG 140 OK 56 92 - 61 - 2.1/10463=6, 2.5/10504=4...(29) HB ILE 136 + HD3 ARG 140 OK 55 92 - 60 - 4734/2.9=4, 4743/2.9=4...(28) HB2 PRO 118 + HD2 ARG 140 OK 48 100 - 48 - 4720=5, 4743/2.9=4...(30) HB2 PRO 118 + HD3 ARG 140 OK 47 100 - 48 - 4719=5, 4743/2.9=4...(30) HG13 ILE 83 - HD2 ARG 140 OK 19 100 - 19 - ~10659=2, 4734/2.9=2...(6) HG13 ILE 83 - HD3 ARG 140 OK 19 100 - 19 - ~10659=2, 4734/2.9=2...(6) HG3 PRO 12 - HD2 ARG 140 lone 8 99 - 7 - HG3 PRO 12 - HD3 ARG 140 lone 7 99 - 7 - HB3 PRO 52 - HD2 ARG 140 lone 5 85 - 6 - HG2 PRO 52 - HD2 ARG 140 lone 5 81 - 6 - HB3 PRO 52 - HD3 ARG 140 lone 5 85 - 6 - HG2 PRO 52 - HD3 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HD2 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HD3 ARG 140 lone 4 81 - 5 - QE MET 68 - HD2 ARG 140 lone 4 77 - 5 - HB2 LYS 86 - HD2 ARG 140 lone 4 98 - 4 - QE MET 68 - HD3 ARG 140 lone 4 77 - 5 - HB2 LYS 86 - HD3 ARG 140 lone 4 98 - 4 - HB2 MET 59 - HD2 ARG 140 lone 1 62 - 2 - HB2 MET 59 - HD3 ARG 140 lone 1 62 - 1 - Peak 4753 from aliabs.peaks (1.89, 3.22, 43.34 ppm; 3.10 A): 6 out of 18 assignments used, quality = 1.00: HB3 ARG 140 + HD3 ARG 140 OK 98 100 - 98 - 3.4=78, 4728/2.9=11...(67) * HB3 ARG 140 + HD2 ARG 140 OK 98 100 - 98 - 3.4=78, 4728/2.9=11...(66) HB3 ARG 89 + HD3 ARG 140 OK 78 92 - 85 - 2873/1.8=7, 4744/2.9=7...(73) HB3 ARG 89 + HD2 ARG 140 OK 76 92 - 83 - 4744/2.9=7, 4735/2.9=7...(69) HB3 ARG 141 + HD2 ARG 140 OK 59 99 - 60 - 4744/2.9=5, 4735/2.9=5...(40) HB3 ARG 141 + HD3 ARG 140 OK 55 99 - 55 - 4744/2.9=5, 4735/2.9=5...(33) HB ILE 101 - HD2 ARG 140 OK 22 77 - 29 - 2.1/10503=3, ~11016=2...(13) HB ILE 101 - HD3 ARG 140 OK 22 77 - 28 - ~11016=2, 2.1/10376=2...(13) HB3 LYS 93 - HD2 ARG 140 OK 19 100 - 19 - 4735/2.9=2, 4744/2.9=2 HB3 LYS 93 - HD3 ARG 140 OK 19 100 - 18 - 4735/2.9=2, 4744/2.9=2 HB3 GLN 111 - HD2 ARG 140 OK 18 96 - 19 - ~10374=3, 4744/2.9=2...(7) HB3 GLN 111 - HD3 ARG 140 OK 18 96 - 18 - ~10374=3, 4744/2.9=2...(7) HB3 LEU 69 - HD2 ARG 140 poor 10 72 - 13 - 3.2/9929=2, 3.2/8463=2...(5) HB3 LEU 69 - HD3 ARG 140 poor 9 72 - 13 - 3.2/9929=2, ~9929=2...(5) HB2 GLN 62 - HD2 ARG 140 lone 7 98 - 7 - HB2 GLN 62 - HD3 ARG 140 lone 7 98 - 7 - HB3 LYS 24 - HD2 ARG 140 lone 6 96 - 6 - HB3 LYS 24 - HD3 ARG 140 lone 6 96 - 6 - Peak 4754 from aliabs.peaks (1.65, 3.22, 43.34 ppm; 3.03 A): 6 out of 24 assignments used, quality = 1.00: * HG2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 - 2.9=100 HG2 ARG 140 + HD3 ARG 140 OK 100 100 - 100 - 2.9=100 HG2 ARG 89 + HD3 ARG 140 OK 67 81 - 83 - 2881/1.8=8, 4745/2.9=6...(75) HG2 ARG 89 + HD2 ARG 140 OK 66 81 - 81 - 1.8/2889=8, 2881=7...(72) HG2 ARG 124 + HD3 ARG 140 OK 58 100 - 59 - 4229=10, 1.8/4238=8...(20) HG2 ARG 124 + HD2 ARG 140 OK 58 100 - 58 - 4229=9, 4229/1.8=8...(20) HG13 ILE 136 - HD2 ARG 140 OK 43 77 - 55 - 2.3/10463=6, 2.1/10377=4...(27) HG13 ILE 136 - HD3 ARG 140 OK 42 77 - 55 - 2.1/10377=4, ~10463=4...(27) HD3 LYS 93 - HD2 ARG 140 OK 14 85 - 16 - 4745/2.9=1, 4727/3.4=1 HD3 LYS 93 - HD3 ARG 140 OK 14 85 - 16 - 4745/2.9=1, 4727/3.4=1 HB2 LEU 95 - HD2 ARG 140 lone 7 81 - 9 - HB2 LEU 95 - HD3 ARG 140 lone 7 81 - 9 - HB2 LYS 114 - HD2 ARG 140 lone 7 99 - 7 - HB2 LYS 114 - HD3 ARG 140 lone 7 99 - 7 - HB2 PRO 57 - HD2 ARG 140 lone 6 100 - 6 - HB2 PRO 57 - HD3 ARG 140 lone 6 100 - 6 - HB VAL 71 - HD2 ARG 140 lone 5 81 - 6 - HB VAL 71 - HD3 ARG 140 lone 5 81 - 6 - HB2 ARG 145 - HD3 ARG 140 lone 3 68 - 5 - HB2 ARG 145 - HD2 ARG 140 lone 3 68 - 5 - HD2 LYS 48 - HD2 ARG 140 lone 3 81 - 3 - HD2 LYS 48 - HD3 ARG 140 lone 3 81 - 3 - HB3 LEU 26 - HD3 ARG 140 lone 2 92 - 3 - HB3 LEU 26 - HD2 ARG 140 lone 2 92 - 2 - Peak 4755 from aliabs.peaks (1.74, 3.22, 43.34 ppm; 3.00 A): 4 out of 16 assignments used, quality = 1.00: * HG3 ARG 140 + HD2 ARG 140 OK 100 100 - 100 - 2.9=100 HG3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 - 2.9=100 HG3 ARG 89 + HD3 ARG 140 OK 50 62 - 80 - 4737/2.9=6, ~2881=6...(75) HG3 ARG 89 + HD2 ARG 140 OK 49 62 - 78 - 1.8/2881=8, 4737/2.9=6...(72) HB2 ARG 49 - HD2 ARG 140 OK 20 100 - 20 - 4737/2.9=3, 4728/3.4=2...(7) HB2 ARG 49 - HD3 ARG 140 OK 20 100 - 20 - 4737/2.9=3, 4728/3.4=2...(7) HB2 GLU 81 - HD2 ARG 140 lone 7 100 - 7 - HB2 GLU 81 - HD3 ARG 140 lone 7 100 - 7 - HB3 GLU 81 - HD2 ARG 140 lone 5 72 - 7 - HB3 GLU 81 - HD3 ARG 140 lone 5 72 - 6 - HB3 ARG 144 - HD2 ARG 140 lone 5 85 - 5 - HD2 LYS 36 - HD3 ARG 140 lone 4 92 - 5 - HB3 ARG 144 - HD3 ARG 140 lone 4 85 - 5 - HD2 LYS 36 - HD2 ARG 140 lone 4 92 - 5 - HB ILE 58 - HD2 ARG 140 lone 3 92 - 3 - HB ILE 58 - HD3 ARG 140 lone 3 92 - 3 - Peak 4756 from aliabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 * HD2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 Peak 4757 from aliabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 HD2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 Reference assignment not found: HD3 ARG 140 - HD2 ARG 140 Peak 4760 from aliabs.peaks (4.29, 3.22, 43.34 ppm; 3.79 A): 6 out of 10 assignments used, quality = 1.00: HA ARG 140 + HD2 ARG 140 OK 96 100 - 96 - 5.4=35, 4733/2.9=17...(53) * HA ARG 140 + HD3 ARG 140 OK 96 100 - 96 - 5.4=35, 4733/2.9=17...(49) HA ARG 89 + HD3 ARG 140 OK 75 92 - 82 - 4742/2.9=11, 4733/2.9=11...(43) HA ARG 89 + HD2 ARG 140 OK 74 92 - 81 - 4742/2.9=11, 4733/2.9=11...(41) HA PRO 118 + HD2 ARG 140 OK 55 100 - 55 - 4742/2.9=7, 4733/2.9=7...(30) HA PRO 118 + HD3 ARG 140 OK 55 100 - 55 - 4742/2.9=7, 4733/2.9=7...(30) HA3 GLY 78 - HD2 ARG 140 poor 9 62 - 14 - 3.0/8691=6, ~8691=4, ~8697=1 HA3 GLY 78 - HD3 ARG 140 poor 8 62 - 13 - 3.0/8691=4, ~8691=4, ~8697=1 HA SER 100 - HD2 ARG 140 lone 6 92 - 7 - HA SER 100 - HD3 ARG 140 lone 5 92 - 5 - Peak 4761 from aliabs.peaks (1.93, 3.22, 43.34 ppm; 3.13 A): 8 out of 24 assignments used, quality = 1.00: HB2 ARG 140 + HD2 ARG 140 OK 99 100 - 99 - 3.4=80, 4743/2.9=10...(71) * HB2 ARG 140 + HD3 ARG 140 OK 98 100 - 98 - 3.4=80, 4743/2.9=10...(70) HB2 ARG 89 + HD3 ARG 140 OK 82 96 - 85 - 2865/1.8=9, 4743/2.9=8...(73) HB2 ARG 89 + HD2 ARG 140 OK 80 96 - 84 - 2865=8, 4743/2.9=8...(69) HB ILE 136 + HD2 ARG 140 OK 56 92 - 61 - 2.1/10463=6, 2.5/10504=4...(29) HB ILE 136 + HD3 ARG 140 OK 55 92 - 60 - 4734/2.9=4, 4743/2.9=4...(28) HB2 PRO 118 + HD2 ARG 140 OK 48 100 - 48 - 4720=5, 4743/2.9=4...(30) HB2 PRO 118 + HD3 ARG 140 OK 47 100 - 48 - 4719=5, 4743/2.9=4...(30) HG13 ILE 83 - HD2 ARG 140 OK 19 100 - 19 - ~10659=2, 4734/2.9=2...(6) HG13 ILE 83 - HD3 ARG 140 OK 19 100 - 19 - ~10659=2, 4734/2.9=2...(6) HG3 PRO 12 - HD2 ARG 140 lone 8 99 - 7 - HG3 PRO 12 - HD3 ARG 140 lone 7 99 - 7 - HB3 PRO 52 - HD2 ARG 140 lone 5 85 - 6 - HG2 PRO 52 - HD2 ARG 140 lone 5 81 - 6 - HB3 PRO 52 - HD3 ARG 140 lone 5 85 - 6 - HG2 PRO 52 - HD3 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HD2 ARG 140 lone 4 81 - 5 - HB3 LEU 132 - HD3 ARG 140 lone 4 81 - 5 - QE MET 68 - HD2 ARG 140 lone 4 77 - 5 - HB2 LYS 86 - HD2 ARG 140 lone 4 98 - 4 - QE MET 68 - HD3 ARG 140 lone 4 77 - 5 - HB2 LYS 86 - HD3 ARG 140 lone 4 98 - 4 - HB2 MET 59 - HD2 ARG 140 lone 1 62 - 2 - HB2 MET 59 - HD3 ARG 140 lone 1 62 - 1 - Peak 4762 from aliabs.peaks (1.89, 3.22, 43.34 ppm; 3.10 A): 6 out of 18 assignments used, quality = 1.00: * HB3 ARG 140 + HD3 ARG 140 OK 98 100 - 98 - 3.4=78, 4728/2.9=11...(67) HB3 ARG 140 + HD2 ARG 140 OK 98 100 - 98 - 3.4=78, 4728/2.9=11...(66) HB3 ARG 89 + HD3 ARG 140 OK 78 92 - 85 - 2873/1.8=7, 4744/2.9=7...(73) HB3 ARG 89 + HD2 ARG 140 OK 76 92 - 83 - 4744/2.9=7, 4735/2.9=7...(69) HB3 ARG 141 + HD2 ARG 140 OK 59 99 - 60 - 4744/2.9=5, 4735/2.9=5...(40) HB3 ARG 141 + HD3 ARG 140 OK 55 99 - 55 - 4744/2.9=5, 4735/2.9=5...(33) HB ILE 101 - HD2 ARG 140 OK 22 77 - 29 - 2.1/10503=3, ~11016=2...(13) HB ILE 101 - HD3 ARG 140 OK 22 77 - 28 - ~11016=2, 2.1/10376=2...(13) HB3 LYS 93 - HD2 ARG 140 OK 19 100 - 19 - 4735/2.9=2, 4744/2.9=2 HB3 LYS 93 - HD3 ARG 140 OK 19 100 - 18 - 4735/2.9=2, 4744/2.9=2 HB3 GLN 111 - HD2 ARG 140 OK 18 96 - 19 - ~10374=3, 4744/2.9=2...(7) HB3 GLN 111 - HD3 ARG 140 OK 18 96 - 18 - ~10374=3, 4744/2.9=2...(7) HB3 LEU 69 - HD2 ARG 140 poor 10 72 - 13 - 3.2/9929=2, 3.2/8463=2...(5) HB3 LEU 69 - HD3 ARG 140 poor 9 72 - 13 - 3.2/9929=2, ~9929=2...(5) HB2 GLN 62 - HD2 ARG 140 lone 7 98 - 7 - HB2 GLN 62 - HD3 ARG 140 lone 7 98 - 7 - HB3 LYS 24 - HD2 ARG 140 lone 6 96 - 6 - HB3 LYS 24 - HD3 ARG 140 lone 6 96 - 6 - Peak 4763 from aliabs.peaks (1.65, 3.22, 43.34 ppm; 3.03 A): 6 out of 24 assignments used, quality = 1.00: HG2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 - 2.9=100 * HG2 ARG 140 + HD3 ARG 140 OK 100 100 - 100 - 2.9=100 HG2 ARG 89 + HD3 ARG 140 OK 67 81 - 83 - 2881/1.8=8, 4745/2.9=6...(75) HG2 ARG 89 + HD2 ARG 140 OK 66 81 - 81 - 1.8/2889=8, 2881=7...(72) HG2 ARG 124 + HD3 ARG 140 OK 58 100 - 59 - 4229=10, 1.8/4238=8...(20) HG2 ARG 124 + HD2 ARG 140 OK 58 100 - 58 - 4229=9, 4229/1.8=8...(20) HG13 ILE 136 - HD2 ARG 140 OK 43 77 - 55 - 2.3/10463=6, 2.1/10377=4...(27) HG13 ILE 136 - HD3 ARG 140 OK 42 77 - 55 - 2.1/10377=4, ~10463=4...(27) HD3 LYS 93 - HD2 ARG 140 OK 14 85 - 16 - 4745/2.9=1, 4727/3.4=1 HD3 LYS 93 - HD3 ARG 140 OK 14 85 - 16 - 4745/2.9=1, 4727/3.4=1 HB2 LEU 95 - HD2 ARG 140 lone 7 81 - 9 - HB2 LEU 95 - HD3 ARG 140 lone 7 81 - 9 - HB2 LYS 114 - HD2 ARG 140 lone 7 99 - 7 - HB2 LYS 114 - HD3 ARG 140 lone 7 99 - 7 - HB2 PRO 57 - HD2 ARG 140 lone 6 100 - 6 - HB2 PRO 57 - HD3 ARG 140 lone 6 100 - 6 - HB VAL 71 - HD2 ARG 140 lone 5 81 - 6 - HB VAL 71 - HD3 ARG 140 lone 5 81 - 6 - HB2 ARG 145 - HD3 ARG 140 lone 3 68 - 5 - HB2 ARG 145 - HD2 ARG 140 lone 3 68 - 5 - HD2 LYS 48 - HD2 ARG 140 lone 3 81 - 3 - HD2 LYS 48 - HD3 ARG 140 lone 3 81 - 3 - HB3 LEU 26 - HD3 ARG 140 lone 2 92 - 3 - HB3 LEU 26 - HD2 ARG 140 lone 2 92 - 2 - Peak 4764 from aliabs.peaks (1.74, 3.22, 43.34 ppm; 3.00 A): 4 out of 16 assignments used, quality = 1.00: HG3 ARG 140 + HD2 ARG 140 OK 100 100 - 100 - 2.9=100 * HG3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 - 2.9=100 HG3 ARG 89 + HD3 ARG 140 OK 50 62 - 80 - 4737/2.9=6, ~2881=6...(75) HG3 ARG 89 + HD2 ARG 140 OK 49 62 - 78 - 1.8/2881=8, 4737/2.9=6...(72) HB2 ARG 49 - HD2 ARG 140 OK 20 100 - 20 - 4737/2.9=3, 4728/3.4=2...(7) HB2 ARG 49 - HD3 ARG 140 OK 20 100 - 20 - 4737/2.9=3, 4728/3.4=2...(7) HB2 GLU 81 - HD2 ARG 140 lone 7 100 - 7 - HB2 GLU 81 - HD3 ARG 140 lone 7 100 - 7 - HB3 GLU 81 - HD2 ARG 140 lone 5 72 - 7 - HB3 GLU 81 - HD3 ARG 140 lone 5 72 - 6 - HB3 ARG 144 - HD2 ARG 140 lone 5 85 - 5 - HD2 LYS 36 - HD3 ARG 140 lone 4 92 - 5 - HB3 ARG 144 - HD3 ARG 140 lone 4 85 - 5 - HD2 LYS 36 - HD2 ARG 140 lone 4 92 - 5 - HB ILE 58 - HD2 ARG 140 lone 3 92 - 3 - HB ILE 58 - HD3 ARG 140 lone 3 92 - 3 - Peak 4765 from aliabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 HD2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 Reference assignment not found: HD2 ARG 140 - HD3 ARG 140 Peak 4766 from aliabs.peaks (3.22, 3.22, 43.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 140 + HD3 ARG 140 OK 100 100 - 100 HD2 ARG 140 + HD2 ARG 140 OK 100 100 - 100 Peak 4769 from aliabs.peaks (4.24, 4.24, 56.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 141 + HA ARG 141 OK 100 100 - 100 Peak 4770 from aliabs.peaks (1.82, 4.24, 56.73 ppm; 2.92 A): 1 out of 8 assignments used, quality = 0.99: * HB2 ARG 141 + HA ARG 141 OK 99 100 - 99 - 3.0=97, 1.8/4771=16...(32) HB3 MET 68 - HA ARG 141 OK 39 100 - 39 - 4778=8, 1.8/4773=4...(13) HD3 LYS 36 - HA ARG 141 OK 29 100 - 29 - 4788/3.0=3, 4806/3.8=3...(14) HB VAL 80 - HA ARG 141 OK 22 98 - 22 - 4778=3, 4788/3.0=2...(9) HB2 LYS 24 - HA ARG 141 lone 9 92 - 9 - 1.8/4771=1 HB2 MET 11 - HA ARG 141 lone 5 94 - 5 - HB2 ARG 124 - HA ARG 141 lone 4 77 - 5 - HB3 LEU 72 - HA ARG 141 lone 3 62 - 5 - Peak 4771 from aliabs.peaks (1.89, 4.24, 56.73 ppm; 2.71 A): 2 out of 9 assignments used, quality = 0.97: * HB3 ARG 141 + HA ARG 141 OK 93 100 - 93 - 3.0=77, 1.8/4770=15...(30) HB3 ARG 140 + HA ARG 141 OK 54 99 - 54 - 4787=7, 7835/2.9=6...(19) HB3 LYS 93 - HA ARG 141 OK 21 100 - 21 - 3.4/4773=2, 4807/3.8=2...(7) HB2 LYS 36 - HA ARG 141 OK 16 72 - 22 - 3.6/4770=2, ~679=2...(8) HB3 LYS 48 - HA ARG 141 OK 15 72 - 21 - 3.0/10502=5, 2.9/4772=2...(7) HB3 ARG 89 - HA ARG 141 poor 9 77 - 11 - 7835/2.9=2, 3.0/2858=2, ~7834=2 HB3 LYS 24 - HA ARG 141 lone 7 85 - 8 - 1.8/4770=1 HB3 GLN 111 - HA ARG 141 lone 2 85 - 2 - HB2 GLN 62 - HA ARG 141 lone 1 89 - 1 - Peak 4772 from aliabs.peaks (1.61, 4.24, 56.73 ppm; 2.94 A): 2 out of 11 assignments used, quality = 0.94: * HG2 ARG 141 + HA ARG 141 OK 89 100 - 89 - 3.8=45, 1.8/4805=16...(38) HB2 LEU 97 + HA ARG 141 OK 43 100 - 43 - 3.0/4773=5, 3.1/9122=5...(18) HG2 ARG 144 - HA ARG 141 OK 27 99 - 27 - 4796=6, 4797/3.0=3...(9) HG3 LYS 48 - HA ARG 141 OK 25 92 - 27 - 3.8/10502=5, 3.0/4773=3...(8) HG3 ARG 144 - HA ARG 141 OK 25 85 - 29 - 1.8/4796=4, 4790/3.0=2...(15) HG LEU 108 - HA ARG 141 lone 7 100 - 7 - 2.1/9259=3 HG3 ARG 49 - HA ARG 141 lone 4 92 - 5 - HB2 LEU 87 - HA ARG 141 lone 2 68 - 3 - HD2 LYS 61 - HA ARG 141 lone 2 85 - 2 - HB2 LEU 79 - HA ARG 141 lone 2 81 - 3 - HD3 LYS 61 - HA ARG 141 lone 2 81 - 2 - Peak 4773 from aliabs.peaks (1.68, 4.24, 56.73 ppm; 3.13 A): 2 out of 6 assignments used, quality = 0.96: * HG3 ARG 141 + HA ARG 141 OK 92 100 - 92 - 3.8=54, 2.8/4770=15...(37) HG LEU 97 + HA ARG 141 OK 50 100 - 50 - 2.1/9122=7, 4791/3.0=5...(22) HB2 MET 68 - HA ARG 141 OK 30 81 - 37 - 1.8/4770=7, 4791/3.0=3...(18) HD3 LYS 48 - HA ARG 141 OK 26 85 - 30 - 5.3/10502=4, 3.0/4772=3...(9) HG LEU 26 - HA ARG 141 OK 12 94 - 12 - 4791/3.0=2, 4782/3.0=2...(4) HB2 ARG 145 - HA ARG 141 lone 1 68 - 2 - Peak 4774 from aliabs.peaks (3.20, 4.24, 56.73 ppm; 3.38 A): 2 out of 11 assignments used, quality = 0.99: * HD2 ARG 141 + HA ARG 141 OK 89 100 - 89 - 5.2=28, 3.0/4805=15...(39) HD3 ARG 141 + HA ARG 141 OK 88 99 - 89 - 5.2=28, 3.0/4805=15...(39) HD2 ARG 140 - HA ARG 141 OK 43 68 - 63 - 3.4/4771=7, ~4740=5...(46) HD3 ARG 140 - HA ARG 141 OK 42 68 - 62 - 3.4/4771=7, 7846/2.9=5...(41) HD3 ARG 144 - HA ARG 141 OK 17 72 - 24 - 3.0/4796=4, 3.0/4772=3...(12) HD2 ARG 55 - HA ARG 141 lone 9 100 - 8 - HD3 ARG 55 - HA ARG 141 lone 8 96 - 8 - HA VAL 73 - HA ARG 141 lone 4 100 - 4 - HG3 MET 46 - HA ARG 141 lone 1 77 - 1 - HA LEU 39 - HA ARG 141 lone 1 100 - 1 - HB3 TYR 117 - HA ARG 141 lone 1 72 - 1 - Peak 4775 from aliabs.peaks (3.21, 4.24, 56.73 ppm; 3.51 A): 4 out of 10 assignments used, quality = 1.00: * HD3 ARG 141 + HA ARG 141 OK 91 100 - 91 - 5.2=31, 3.0/4805=16...(39) HD2 ARG 141 + HA ARG 141 OK 90 99 - 91 - 5.2=31, 3.0/4805=16...(39) HD2 ARG 140 + HA ARG 141 OK 57 85 - 67 - 3.4/4771=8, ~4740=5...(47) HD3 ARG 140 + HA ARG 141 OK 56 85 - 66 - 3.4/4771=8, 7846/2.9=5...(42) HD2 ARG 55 - HA ARG 141 lone 9 98 - 9 - HD3 ARG 55 - HA ARG 141 lone 8 85 - 9 - HA VAL 73 - HA ARG 141 lone 5 96 - 5 - ~7832=1 HG3 MET 46 - HA ARG 141 lone 1 92 - 1 - HA LEU 39 - HA ARG 141 lone 1 94 - 1 - HB3 TYR 117 - HA ARG 141 lone 1 89 - 1 - Peak 4778 from aliabs.peaks (4.24, 1.82, 30.40 ppm; 3.42 A): 3 out of 21 assignments used, quality = 1.00: * HA ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 3.0=100 HA GLU 142 + HB2 ARG 141 OK 55 81 - 68 - 2.9/7851=14, 4787/1.8=8...(25) HA ARG 141 + HB3 MET 68 OK 50 97 - 51 - 4770=10, 4773/1.8=6...(27) HA ARG 141 - HB VAL 80 OK 27 87 - 31 - 4770=5, 3.0/4788=3...(18) HA LYS 93 - HB2 ARG 141 OK 16 62 - 26 - 4805/2.8=3, 4787/1.8=3...(11) HB THR 92 - HB2 ARG 141 OK 14 72 - 20 - 4805/2.8=3, 4787/1.8=3...(11) HB THR 102 - HB2 ARG 141 lone 7 98 - 7 - 4805/2.8=1, 4787/1.8=1 HB THR 92 - HB3 MET 68 lone 6 67 - 9 - ~10084=3, ~10098=1, ~9914=1 HA LYS 85 - HB2 ARG 141 lone 6 94 - 6 - HA GLU 142 - HB3 MET 68 lone 4 76 - 6 - 2.9/7851=3 HA GLU 142 - HB VAL 80 lone 4 64 - 6 - ~9958=3, 2.9/7851=2 HB THR 102 - HB VAL 80 lone 3 82 - 4 - HA LYS 93 - HB3 MET 68 lone 2 57 - 3 - HA2 GLY 50 - HB2 ARG 141 lone 2 57 - 3 - HA LYS 93 - HB VAL 80 lone 2 48 - 4 - HA LYS 85 - HB3 MET 68 lone 1 89 - 1 - HB THR 102 - HB3 MET 68 lone 1 93 - 1 - HB THR 92 - HB VAL 80 lone 1 56 - 1 - HA LYS 85 - HB VAL 80 lone 1 77 - 1 - HA2 GLY 50 - HB3 MET 68 lone 1 52 - 1 - HA2 GLY 50 - HB VAL 80 lone 0 43 - 0 - Peak 4779 from aliabs.peaks (1.82, 1.82, 30.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 141 + HB2 ARG 141 OK 100 100 - 100 HB3 MET 68 + HB3 MET 68 OK 97 97 - 100 HB VAL 80 + HB VAL 80 OK 82 82 - 100 Peak 4780 from aliabs.peaks (1.89, 1.82, 30.40 ppm; 2.50 A): 2 out of 27 assignments used, quality = 1.00: * HB3 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 1.8=100 HB3 ARG 140 + HB2 ARG 141 OK 48 99 - 48 - 4788=7, 4771/3.0=5...(21) HB3 ARG 141 - HB3 MET 68 OK 37 97 - 39 - 4788=8, 2.8/4806=4...(17) HB2 LYS 36 - HB2 ARG 141 OK 22 72 - 31 - 1.8/679=4, 3.0/690=3...(12) HB3 LYS 93 - HB2 ARG 141 OK 22 100 - 22 - 4807/2.8=2, 4771/3.0=2...(6) HB3 LYS 48 - HB2 ARG 141 OK 20 72 - 27 - 1.8/668=2, 668=2...(7) HB3 ARG 141 - HB VAL 80 OK 18 87 - 21 - 4788=4, 3.0/4770=2...(9) HB2 LYS 36 - HB3 MET 68 OK 14 67 - 21 - 1.8/679=3, 668=2...(7) HB3 ARG 140 - HB3 MET 68 lone 9 95 - 10 - 4788=1, 4.7/7841=1 HB2 GLN 62 - HB VAL 80 poor 9 71 - 13 - 8342/2.1=4, ~8759=3...(4) HB3 LYS 24 - HB2 ARG 141 lone 8 85 - 9 - HB3 LYS 24 - HB VAL 80 poor 7 68 - 10 - 11342/4.7=2, 1.8/11323=1 HB3 ARG 89 - HB2 ARG 141 lone 6 77 - 8 - 7835/4.0=1 HB3 LYS 48 - HB3 MET 68 lone 4 67 - 6 - HB3 ARG 140 - HB VAL 80 lone 4 84 - 5 - HB3 ARG 89 - HB3 MET 68 lone 4 71 - 5 - HB3 LYS 24 - HB3 MET 68 lone 4 80 - 5 - HB2 LYS 36 - HB VAL 80 lone 4 56 - 6 - HB3 LYS 93 - HB VAL 80 lone 3 85 - 4 - HB3 LYS 93 - HB3 MET 68 lone 3 96 - 3 - HB3 GLN 111 - HB2 ARG 141 lone 2 85 - 2 - HB2 GLN 62 - HB2 ARG 141 lone 1 89 - 1 - HB3 GLN 111 - HB3 MET 68 lone 1 80 - 1 - HB3 ARG 89 - HB VAL 80 lone 1 60 - 1 - HB3 LYS 48 - HB VAL 80 lone 1 56 - 1 - HB2 GLN 62 - HB3 MET 68 lone 1 83 - 1 - HB3 GLN 111 - HB VAL 80 lone 0 68 - 1 - Peak 4781 from aliabs.peaks (1.61, 1.82, 30.40 ppm; 3.20 A): 4 out of 33 assignments used, quality = 1.00: * HG2 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 2.8=100 HB2 LEU 97 + HB2 ARG 141 OK 64 100 - 64 - 4790/1.8=7, 3199/2.8=6...(43) HG2 ARG 141 + HB3 MET 68 OK 48 97 - 50 - 1.8/4806=8, 4797=7...(23) HG2 ARG 144 + HB2 ARG 141 OK 46 99 - 47 - 4797=6, 4798/1.8=5...(17) HG3 ARG 144 - HB2 ARG 141 OK 43 85 - 50 - 1.8/4797=5, 4790/1.8=4...(22) HG3 LYS 48 - HB2 ARG 141 OK 42 92 - 46 - 701=5, 4790/1.8=4...(18) HB2 LEU 79 - HB VAL 80 OK 28 64 - 44 - 2371/2.1=3, ~2426=3...(28) HG2 ARG 141 - HB VAL 80 OK 24 87 - 28 - 1.8/4806=4, 4797=3...(13) HB2 LEU 79 - HB3 MET 68 OK 13 76 - 18 - 3.1/8429=3, ~8430=3...(7) HB2 LEU 97 - HB VAL 80 OK 12 86 - 14 - ~8754=2, ~10110=2...(4) HG3 LYS 48 - HB3 MET 68 OK 11 86 - 12 - 701=1 HG LEU 108 - HB2 ARG 141 lone 10 100 - 10 - ~9259=2 HG LEU 108 - HB3 MET 68 lone 9 97 - 9 - ~9945=2, ~11478=1, ~8427=1 HG3 ARG 49 - HB2 ARG 141 lone 6 92 - 7 - HB2 LEU 79 - HB2 ARG 141 lone 6 81 - 7 - 4.1/2413=1 HB2 LEU 97 - HB3 MET 68 lone 6 97 - 6 - HG3 ARG 49 - HB VAL 80 lone 6 75 - 7 - ~9949=2, ~9986=1 HG LEU 108 - HB VAL 80 lone 5 86 - 6 - ~10546=1, 3500/4.7=1 HG2 ARG 144 - HB3 MET 68 lone 4 95 - 4 - HB2 LEU 87 - HB VAL 80 lone 3 52 - 6 - ~8744=1 HD2 LYS 61 - HB2 ARG 141 lone 3 85 - 3 - HD3 LYS 61 - HB2 ARG 141 lone 3 81 - 3 - HB2 LEU 87 - HB2 ARG 141 lone 3 68 - 4 - HD2 LYS 61 - HB VAL 80 lone 2 68 - 4 - ~8754=1, ~8754=1 HG2 ARG 144 - HB VAL 80 lone 2 84 - 3 - HD3 LYS 61 - HB VAL 80 lone 2 64 - 4 - ~8754=1, ~8754=1 HG3 ARG 144 - HB3 MET 68 lone 2 80 - 3 - HG3 LYS 48 - HB VAL 80 lone 2 75 - 3 - HG3 ARG 144 - HB VAL 80 lone 1 68 - 2 - HD2 LYS 61 - HB3 MET 68 lone 1 80 - 1 - HD3 LYS 61 - HB3 MET 68 lone 1 76 - 1 - HG3 ARG 49 - HB3 MET 68 lone 1 86 - 1 - HB2 LEU 87 - HB3 MET 68 lone 0 62 - 0 - Peak 4782 from aliabs.peaks (1.68, 1.82, 30.40 ppm; 3.06 A): 3 out of 18 assignments used, quality = 1.00: * HG3 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 2.8=100 HB2 MET 68 + HB3 MET 68 OK 76 76 - 100 - 1.8=100 HG LEU 97 + HB2 ARG 141 OK 63 100 - 64 - 4791/1.8=7, ~10132=6...(39) HG3 ARG 141 - HB3 MET 68 OK 43 97 - 45 - 4806=10, 1.8/4797=5...(19) HB2 MET 68 - HB2 ARG 141 OK 42 81 - 52 - 1962=6, 2.9/1972=5...(26) HD3 LYS 48 - HB2 ARG 141 OK 30 85 - 36 - 4791/1.8=3, 4773/3.0=3...(10) HG LEU 26 - HB2 ARG 141 OK 28 94 - 29 - ~10505=9, 4791/1.8=3...(14) HB2 MET 68 - HB VAL 80 OK 26 64 - 40 - 8430/2.1=5, 1962=3...(22) HG3 ARG 141 - HB VAL 80 OK 22 87 - 26 - 4806=5, 1.8/4797=3...(9) HG LEU 26 - HB VAL 80 OK 14 77 - 19 - ~10908=4, ~8759=3...(7) HG LEU 97 - HB VAL 80 OK 11 86 - 12 - ~10110=2, ~8754=1 HD3 LYS 48 - HB3 MET 68 poor 8 80 - 10 - HG LEU 97 - HB3 MET 68 lone 5 97 - 6 - HB2 ARG 145 - HB2 ARG 141 lone 2 68 - 3 - HG LEU 26 - HB3 MET 68 lone 2 89 - 2 - HB2 ARG 145 - HB3 MET 68 lone 2 62 - 3 - HD3 LYS 48 - HB VAL 80 lone 1 68 - 1 - HB2 ARG 145 - HB VAL 80 lone 1 52 - 1 - Peak 4783 from aliabs.peaks (3.20, 1.82, 30.40 ppm; 3.59 A): 4 out of 33 assignments used, quality = 1.00: * HD2 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 3.5=100 HD3 ARG 141 + HB2 ARG 141 OK 99 99 - 100 - 3.5=100 HD2 ARG 140 + HB2 ARG 141 OK 52 68 - 77 - 3.4/1973=5, 4775/3.0=5...(57) HD3 ARG 140 + HB2 ARG 141 OK 50 68 - 74 - 4775/3.0=6, 4811/2.8=6...(50) HD2 ARG 141 - HB3 MET 68 OK 32 97 - 33 - 3.0/4806=7, 3.5/4788=5...(12) HD3 ARG 141 - HB3 MET 68 OK 31 95 - 33 - 3.0/4806=7, 3.5/4788=5...(12) HD3 ARG 144 - HB2 ARG 141 OK 28 72 - 39 - 3.0/4797=4, 4810/2.8=3...(25) HD2 ARG 55 - HB2 ARG 141 OK 18 100 - 18 - 4815=2, 4810/2.8=1...(4) HD3 ARG 55 - HB2 ARG 141 OK 17 96 - 17 - 4810/2.8=1, 4815=1...(4) HA LEU 39 - HB VAL 80 OK 16 85 - 19 - 2426/2.1=4, ~9986=3...(9) HD2 ARG 141 - HB VAL 80 OK 13 87 - 15 - 3.0/4806=3, 3.5/4788=2...(7) HD3 ARG 141 - HB VAL 80 OK 13 84 - 15 - 3.0/4806=3, 3.5/4788=2...(7) HA VAL 73 - HB3 MET 68 OK 11 97 - 12 - ~6758=2, 3.0/6760=1...(5) HD3 ARG 140 - HB3 MET 68 poor 9 62 - 14 - 3.4/1973=1, ~1965=1 HD2 ARG 140 - HB3 MET 68 poor 8 62 - 13 - 3.4/1973=1, ~1965=1 HA LEU 39 - HB3 MET 68 lone 6 96 - 6 - 10754/4.4=3 HA VAL 73 - HB2 ARG 141 lone 5 100 - 5 - HD3 ARG 140 - HB VAL 80 lone 4 52 - 8 - ~11574=2, ~11575=1 HD2 ARG 140 - HB VAL 80 lone 4 52 - 8 - ~11574=2, ~11575=1 HB3 TYR 117 - HB VAL 80 lone 4 56 - 7 - ~9955=5 HG3 MET 46 - HB3 MET 68 lone 3 71 - 5 - HA VAL 73 - HB VAL 80 lone 2 86 - 2 - HA LEU 39 - HB2 ARG 141 lone 2 100 - 2 - HB3 TYR 117 - HB3 MET 68 lone 2 67 - 3 - 4.5/1968=2 HG3 MET 46 - HB VAL 80 lone 2 60 - 3 - HG3 MET 46 - HB2 ARG 141 lone 1 77 - 2 - HD3 ARG 144 - HB3 MET 68 lone 1 67 - 2 - HD2 ARG 55 - HB3 MET 68 lone 1 97 - 1 - HD3 ARG 55 - HB3 MET 68 lone 1 91 - 1 - HB3 TYR 117 - HB2 ARG 141 lone 1 72 - 2 - HD3 ARG 144 - HB VAL 80 lone 1 56 - 2 - HD2 ARG 55 - HB VAL 80 lone 1 86 - 1 - HD3 ARG 55 - HB VAL 80 lone 1 80 - 1 - Peak 4784 from aliabs.peaks (3.21, 1.82, 30.40 ppm; 3.96 A): 4 out of 30 assignments used, quality = 1.00: * HD3 ARG 141 + HB2 ARG 141 OK 100 100 - 100 - 3.5=100 HD2 ARG 141 + HB2 ARG 141 OK 99 99 - 100 - 3.5=100 HD2 ARG 140 + HB2 ARG 141 OK 71 85 - 83 - 4775/3.0=6, 3.4/1973=6...(57) HD3 ARG 140 + HB2 ARG 141 OK 69 85 - 81 - 4775/3.0=8, 4811/2.8=7...(50) HD3 ARG 141 - HB3 MET 68 OK 36 97 - 38 - 3.0/4806=8, 3.5/4788=6...(13) HD2 ARG 141 - HB3 MET 68 OK 35 95 - 38 - 3.0/4806=8, 3.5/4788=6...(13) HD2 ARG 55 - HB2 ARG 141 OK 21 98 - 20 - 4815=2, 4810/2.8=2...(5) HD3 ARG 55 - HB2 ARG 141 OK 17 85 - 20 - 4810/2.8=1, 1.8/4815=1...(4) HA LEU 39 - HB VAL 80 OK 16 77 - 21 - 11063/2.1=4, ~9986=4...(9) HD3 ARG 141 - HB VAL 80 OK 15 87 - 18 - 3.0/4806=4, 3.5/4788=3...(9) HD2 ARG 141 - HB VAL 80 OK 15 84 - 18 - 3.0/4806=4, 3.5/4788=3...(9) HD3 ARG 140 - HB3 MET 68 OK 14 80 - 17 - ~1965=1, 3.4/1973=1, 3.4/4788=1 HD2 ARG 140 - HB3 MET 68 OK 13 80 - 17 - ~1965=1, 3.4/1973=1, 3.4/4788=1 HA VAL 73 - HB3 MET 68 OK 13 91 - 14 - ~6758=3, ~8437=2...(6) HD3 ARG 140 - HB VAL 80 poor 7 68 - 11 - ~11574=2, ~11575=2, 10681/2.1=1 HD2 ARG 140 - HB VAL 80 poor 7 68 - 10 - ~11574=2, ~11575=2, 10681/2.1=1 HB3 TYR 117 - HB VAL 80 lone 6 71 - 9 - ~9955=7 HA LEU 39 - HB3 MET 68 lone 6 89 - 7 - 10754/4.4=3 HA VAL 73 - HB2 ARG 141 lone 6 96 - 6 - HG3 MET 46 - HB3 MET 68 lone 5 86 - 6 - HB3 TYR 117 - HB3 MET 68 lone 3 83 - 3 - 4.5/1968=2 HG3 MET 46 - HB VAL 80 lone 3 75 - 3 - ~10493=1 HA VAL 73 - HB VAL 80 lone 2 80 - 3 - HG3 MET 46 - HB2 ARG 141 lone 2 92 - 2 - HA LEU 39 - HB2 ARG 141 lone 2 94 - 2 - HB3 TYR 117 - HB2 ARG 141 lone 2 89 - 2 - HD2 ARG 55 - HB3 MET 68 lone 1 93 - 1 - HD3 ARG 55 - HB3 MET 68 lone 1 80 - 1 - HD2 ARG 55 - HB VAL 80 lone 1 82 - 1 - HD3 ARG 55 - HB VAL 80 lone 1 68 - 1 - Peak 4787 from aliabs.peaks (4.24, 1.89, 30.40 ppm; 3.16 A): 3 out of 14 assignments used, quality = 1.00: * HA ARG 141 + HB3 ARG 141 OK 100 100 - 100 - 3.0=100 HA ARG 141 + HB3 ARG 140 OK 49 70 - 70 - 4771=12, 4768/4.7=9...(30) HA GLU 142 + HB3 ARG 141 OK 48 81 - 60 - 2.9/7852=11, ~7851=7...(24) HA LYS 93 - HB3 ARG 141 OK 18 62 - 28 - 3.0/3025=3, 4805/2.8=2...(10) HB THR 92 - HB3 ARG 141 OK 14 72 - 20 - 4805/2.8=3, 4778/1.8=2...(9) HB THR 102 - HB3 ARG 141 lone 8 98 - 8 - 4805/2.8=1 HA GLU 142 - HB3 ARG 140 poor 8 50 - 15 - 2.9/7852=5, 7840/4.7=3...(5) HA LYS 93 - HB3 ARG 140 poor 7 37 - 18 - 3.0/3025=2, 3013=2...(5) HA LYS 85 - HB3 ARG 141 lone 5 94 - 5 - HB THR 92 - HB3 ARG 140 lone 3 43 - 8 - 2858/2851=1, 7840/4.7=1 HA2 GLY 50 - HB3 ARG 141 lone 2 57 - 3 - HA2 GLY 50 - HB3 ARG 140 lone 2 33 - 6 - 2.9/8191=1, 8230/3.4=1 HB THR 102 - HB3 ARG 140 lone 2 66 - 3 - HA LYS 85 - HB3 ARG 140 lone 1 62 - 2 - Peak 4788 from aliabs.peaks (1.82, 1.89, 30.40 ppm; 2.51 A): 1 out of 16 assignments used, quality = 1.00: * HB2 ARG 141 + HB3 ARG 141 OK 100 100 - 100 - 1.8=100 HB3 MET 68 - HB3 ARG 141 OK 37 100 - 38 - 4780=5, 4806/2.8=4...(17) HB2 ARG 141 - HB3 ARG 140 OK 36 70 - 51 - 4780=7, 1973/1.8=5...(22) HD3 LYS 36 - HB3 ARG 141 OK 29 100 - 29 - 4806/2.8=3, 4770/3.0=2...(13) HB VAL 80 - HB3 ARG 141 OK 20 98 - 21 - 4780=3, 4770/3.0=2...(9) HB2 LYS 24 - HB3 ARG 141 lone 9 92 - 9 - HB2 ARG 124 - HB3 ARG 140 poor 8 47 - 17 - 4208/2.9=2 HB3 MET 68 - HB3 ARG 140 poor 7 70 - 10 - 4780=1, 7841/4.7=1, 1973/1.8=1 HB2 MET 11 - HB3 ARG 141 lone 5 94 - 5 - HD3 LYS 36 - HB3 ARG 140 lone 4 69 - 5 - HB VAL 80 - HB3 ARG 140 lone 4 66 - 5 - HB2 LYS 24 - HB3 ARG 140 lone 3 59 - 5 - HB3 LEU 72 - HB3 ARG 141 lone 3 62 - 4 - HB2 ARG 124 - HB3 ARG 141 lone 2 77 - 3 - HB2 MET 11 - HB3 ARG 140 lone 1 62 - 2 - HB3 LEU 72 - HB3 ARG 140 lone 1 37 - 2 - Peak 4789 from aliabs.peaks (1.89, 1.89, 30.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 141 + HB3 ARG 141 OK 100 100 - 100 HB3 ARG 140 + HB3 ARG 140 OK 67 67 - 100 Peak 4790 from aliabs.peaks (1.61, 1.89, 30.40 ppm; 2.54 A): 2 out of 22 assignments used, quality = 0.96: * HG2 ARG 141 + HB3 ARG 141 OK 94 100 - 94 - 2.8=77, 1.8/4807=14...(43) HB2 LEU 97 + HB3 ARG 141 OK 44 100 - 44 - 3.2/10132=4, 3199/2.8=4...(19) HG2 ARG 141 - HB3 ARG 140 OK 33 70 - 47 - 4798=8, 1.8/4807=7...(14) HG2 ARG 144 - HB3 ARG 141 OK 30 99 - 31 - 4798=5, 4797/1.8=3...(8) HG3 ARG 144 - HB3 ARG 141 OK 27 85 - 32 - 1.8/4798=3, 4808/2.8=2...(14) HG3 LYS 48 - HB3 ARG 141 OK 24 92 - 26 - 701/1.8=2, 4808/2.8=2...(6) HG3 ARG 49 - HB3 ARG 140 poor 8 59 - 14 - 1276/2.9=1 HG LEU 108 - HB3 ARG 141 lone 6 100 - 6 - HB2 LEU 97 - HB3 ARG 140 lone 5 70 - 7 - 7843/4.7=1 HG2 ARG 144 - HB3 ARG 140 lone 5 67 - 7 - 4798=1, 4795/4.7=1 HG3 ARG 49 - HB3 ARG 141 lone 4 92 - 4 - HG3 ARG 144 - HB3 ARG 140 lone 3 53 - 6 - HB2 LEU 79 - HB3 ARG 141 lone 3 81 - 3 - HG3 LYS 48 - HB3 ARG 140 lone 2 59 - 3 - HD2 LYS 61 - HB3 ARG 141 lone 2 85 - 2 - HD3 LYS 61 - HB3 ARG 141 lone 2 81 - 2 - HB2 LEU 87 - HB3 ARG 141 lone 2 68 - 2 - HG LEU 108 - HB3 ARG 140 lone 1 70 - 1 - HB2 LEU 79 - HB3 ARG 140 lone 0 50 - 1 - HB2 LEU 87 - HB3 ARG 140 lone 0 40 - 1 - HD2 LYS 61 - HB3 ARG 140 lone 0 53 - 0 - HD3 LYS 61 - HB3 ARG 140 lone 0 50 - 0 - Peak 4791 from aliabs.peaks (1.68, 1.89, 30.40 ppm; 2.58 A): 2 out of 12 assignments used, quality = 0.97: * HG3 ARG 141 + HB3 ARG 141 OK 95 100 - 95 - 2.8=80, 1.8/4798=11...(46) HG LEU 97 + HB3 ARG 141 OK 49 100 - 49 - 2.1/10132=5, 4782/1.8=5...(31) HG3 ARG 141 - HB3 ARG 140 OK 35 70 - 50 - 4807=11, 1.8/4798=5...(12) HB2 MET 68 - HB3 ARG 141 OK 30 81 - 37 - 1.8/4788=5, 1962/1.8=3...(17) HD3 LYS 48 - HB3 ARG 141 OK 21 85 - 25 - 4782/1.8=2, 3070=2...(7) HG LEU 26 - HB3 ARG 141 OK 20 94 - 21 - ~10505=6, 4782/1.8=2...(6) HG LEU 97 - HB3 ARG 140 lone 6 70 - 9 - 7844/4.7=2, 2.1/10132=1 HB2 MET 68 - HB3 ARG 140 lone 4 50 - 8 - HD3 LYS 48 - HB3 ARG 140 lone 3 53 - 5 - HG LEU 26 - HB3 ARG 140 lone 2 62 - 3 - HB2 ARG 145 - HB3 ARG 141 lone 1 68 - 2 - HB2 ARG 145 - HB3 ARG 140 lone 1 40 - 2 - Peak 4792 from aliabs.peaks (3.20, 1.89, 30.40 ppm; 2.89 A): 2 out of 22 assignments used, quality = 0.99: * HD2 ARG 141 + HB3 ARG 141 OK 92 100 - 92 - 3.5=56, 3.0/4807=12...(43) HD3 ARG 141 + HB3 ARG 141 OK 91 99 - 92 - 3.5=56, 3.0/4807=12...(45) HD2 ARG 140 - HB3 ARG 140 OK 38 40 - 95 - 3.4=63, 2.9/4744=9...(63) HD3 ARG 140 - HB3 ARG 140 OK 38 40 - 95 - 3.4=63, 2.9/4744=9...(64) HD2 ARG 140 - HB3 ARG 141 OK 37 68 - 55 - 2.9/4744=4, 2.9/4735=4...(34) HD3 ARG 140 - HB3 ARG 141 OK 34 68 - 51 - 2.9/4744=4, 4811/2.8=4...(28) HD2 ARG 141 - HB3 ARG 140 OK 31 70 - 44 - 4816=6, 3.0/4807=5...(23) HD3 ARG 141 - HB3 ARG 140 OK 29 67 - 43 - 4825=6, 3.0/4807=5...(18) HD3 ARG 144 - HB3 ARG 141 OK 19 72 - 26 - 3.0/4798=3, 3.0/4790=2...(8) HD2 ARG 55 - HB3 ARG 141 OK 12 100 - 11 - HD3 ARG 55 - HB3 ARG 141 OK 11 96 - 11 - HA VAL 73 - HB3 ARG 140 lone 6 69 - 9 - 2157/4.0=2, ~8566=1, ~8574=1 HA VAL 73 - HB3 ARG 141 lone 4 100 - 3 - HG3 MET 46 - HB3 ARG 140 lone 3 47 - 6 - HB3 TYR 117 - HB3 ARG 140 lone 2 43 - 4 - HD3 ARG 144 - HB3 ARG 140 lone 2 43 - 4 - HG3 MET 46 - HB3 ARG 141 lone 1 77 - 1 - HA LEU 39 - HB3 ARG 141 lone 1 100 - 1 - HD3 ARG 55 - HB3 ARG 140 lone 1 64 - 1 - HA LEU 39 - HB3 ARG 140 lone 1 69 - 1 - HD2 ARG 55 - HB3 ARG 140 lone 1 70 - 1 - HB3 TYR 117 - HB3 ARG 141 lone 0 72 - 1 - Peak 4793 from aliabs.peaks (3.21, 1.89, 30.40 ppm; 3.08 A): 6 out of 20 assignments used, quality = 1.00: * HD3 ARG 141 + HB3 ARG 141 OK 96 100 - 96 - 3.5=68, 3.0/4807=13...(45) HD2 ARG 141 + HB3 ARG 141 OK 94 99 - 95 - 3.5=68, 3.0/4807=13...(43) HD3 ARG 140 + HB3 ARG 140 OK 52 53 - 98 - 3.4=76, 2.9/4744=10...(64) HD2 ARG 140 + HB3 ARG 140 OK 52 53 - 98 - 3.4=76, 2.9/4744=10...(63) HD2 ARG 140 + HB3 ARG 141 OK 51 85 - 60 - 2.9/4744=5, 2.9/4735=5...(40) HD3 ARG 140 + HB3 ARG 141 OK 48 85 - 57 - 4811/2.8=5, 4775/3.0=5...(33) HD3 ARG 141 - HB3 ARG 140 OK 34 70 - 49 - 3.0/4807=6, 4825=6...(24) HD2 ARG 141 - HB3 ARG 140 OK 33 67 - 49 - 3.0/4807=6, 4816=6...(24) HD2 ARG 55 - HB3 ARG 141 OK 13 98 - 13 - 4816=1, 4810/2.8=1 HD3 ARG 55 - HB3 ARG 141 OK 11 85 - 12 - HA VAL 73 - HB3 ARG 140 poor 7 64 - 10 - 2157/4.0=2, ~8566=2, ~8574=2 HG3 MET 46 - HB3 ARG 140 lone 5 59 - 8 - ~1071=1 HA VAL 73 - HB3 ARG 141 lone 4 96 - 4 - HB3 TYR 117 - HB3 ARG 140 lone 3 56 - 5 - HG3 MET 46 - HB3 ARG 141 lone 1 92 - 1 - HA LEU 39 - HB3 ARG 141 lone 1 94 - 1 - HD2 ARG 55 - HB3 ARG 140 lone 1 66 - 1 - HB3 TYR 117 - HB3 ARG 141 lone 1 89 - 1 - HA LEU 39 - HB3 ARG 140 lone 1 62 - 1 - HD3 ARG 55 - HB3 ARG 140 lone 1 53 - 1 - Peak 4796 from aliabs.peaks (4.24, 1.61, 27.30 ppm; 3.10 A): 2 out of 14 assignments used, quality = 0.95: * HA ARG 141 + HG2 ARG 141 OK 92 100 - 92 - 3.8=53, 4805/1.8=17...(38) HA GLU 142 + HG2 ARG 141 OK 40 81 - 50 - 4805/1.8=8, 2.9/4803=6...(18) HA ARG 141 - HG2 ARG 144 OK 31 96 - 33 - 4772=6, 4772/1.8=4...(12) HA LYS 93 - HG2 ARG 141 OK 13 62 - 21 - 4805/1.8=3, 3.0/4798=2...(8) HB THR 92 - HG2 ARG 141 OK 11 72 - 15 - 4805/1.8=3, 4787/2.8=2...(7) HB THR 92 - HG2 ARG 144 poor 10 65 - 15 - ~9026=2, 9021/1.8=2...(8) HA LYS 85 - HG2 ARG 144 lone 9 87 - 10 - HB THR 102 - HG2 ARG 141 lone 6 98 - 6 - 4805/1.8=1 HA GLU 142 - HG2 ARG 144 lone 6 74 - 8 - 3.6/9753=2, 2.9/4803=2 HA LYS 85 - HG2 ARG 141 lone 5 94 - 5 - HA2 GLY 50 - HG2 ARG 144 lone 4 51 - 8 - 3.6/4909=3, ~8191=1, ~6477=1 HA LYS 93 - HG2 ARG 144 lone 2 56 - 4 - 11615/3.9=1 HA2 GLY 50 - HG2 ARG 141 lone 2 57 - 3 - HB THR 102 - HG2 ARG 144 lone 1 92 - 1 - Peak 4797 from aliabs.peaks (1.82, 1.61, 27.30 ppm; 2.82 A): 1 out of 16 assignments used, quality = 1.00: * HB2 ARG 141 + HG2 ARG 141 OK 100 100 - 100 - 2.8=100 HB3 MET 68 - HG2 ARG 141 OK 39 100 - 39 - 4806/1.8=6, 4788/2.8=4...(13) HB2 ARG 141 - HG2 ARG 144 OK 36 96 - 38 - 1.8/4798=4, 2.8/4808=4...(14) HD3 LYS 36 - HG2 ARG 141 OK 36 100 - 36 - 4806/1.8=5, 1.8/4904=4...(16) HD3 LYS 36 - HG2 ARG 144 OK 36 95 - 38 - 1.8/4904=4, 718/3.0=3...(13) HB VAL 80 - HG2 ARG 141 OK 20 98 - 21 - 4806/1.8=3, 4788/2.8=2...(6) HB2 LYS 24 - HG2 ARG 141 OK 10 92 - 11 - 4806/1.8=2, 1.8/4798=1 HB2 MET 11 - HG2 ARG 141 lone 6 94 - 6 - HB3 MET 68 - HG2 ARG 144 lone 3 95 - 3 - HB3 LEU 72 - HG2 ARG 141 lone 3 62 - 4 - HB2 ARG 124 - HG2 ARG 141 lone 3 77 - 3 - HB VAL 80 - HG2 ARG 144 lone 2 92 - 2 - HB2 LYS 24 - HG2 ARG 144 lone 2 84 - 2 - HB2 MET 11 - HG2 ARG 144 lone 1 87 - 1 - HB3 LEU 72 - HG2 ARG 144 lone 1 56 - 2 - HB2 ARG 124 - HG2 ARG 144 lone 1 70 - 1 - Peak 4798 from aliabs.peaks (1.89, 1.61, 27.30 ppm; 2.59 A): 2 out of 18 assignments used, quality = 0.98: * HB3 ARG 141 + HG2 ARG 141 OK 95 100 - 95 - 2.8=82, 4807/1.8=15...(46) HB3 ARG 140 + HG2 ARG 141 OK 48 99 - 49 - 4807/1.8=7, 4790=6...(15) HB3 ARG 141 - HG2 ARG 144 OK 32 96 - 33 - 4790=5, 1.8/4797=4...(10) HB3 LYS 48 - HG2 ARG 144 OK 22 65 - 33 - 2.9/1177=2, 4894/3.0=2...(12) HB3 LYS 93 - HG2 ARG 141 OK 21 100 - 21 - 4807/1.8=4, 4780/2.8=1...(5) HB2 LYS 36 - HG2 ARG 141 OK 19 72 - 26 - 4807/1.8=3, ~679=2...(9) HB3 LYS 48 - HG2 ARG 141 OK 19 72 - 26 - 4807/1.8=3, 2.9/1177=2...(6) HB2 LYS 36 - HG2 ARG 144 OK 17 65 - 26 - 4894/3.0=2, 3.6/4797=2...(11) HB3 LYS 24 - HG2 ARG 141 lone 8 85 - 9 - 4807/1.8=1 HB3 ARG 140 - HG2 ARG 144 lone 7 93 - 7 - 4.7/4795=1 HB3 ARG 89 - HG2 ARG 141 lone 5 77 - 6 - HB3 LYS 93 - HG2 ARG 144 lone 2 94 - 2 - HB3 ARG 89 - HG2 ARG 144 lone 2 70 - 3 - HB3 GLN 111 - HG2 ARG 141 lone 2 85 - 2 - HB2 GLN 62 - HG2 ARG 141 lone 1 89 - 1 - HB3 LYS 24 - HG2 ARG 144 lone 1 78 - 1 - HB3 GLN 111 - HG2 ARG 144 lone 0 78 - 0 - HB2 GLN 62 - HG2 ARG 144 lone 0 81 - 0 - Peak 4799 from aliabs.peaks (1.61, 1.61, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 141 + HG2 ARG 141 OK 100 100 - 100 HG2 ARG 144 + HG2 ARG 144 OK 93 93 - 100 Peak 4800 from aliabs.peaks (1.68, 1.61, 27.30 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 141 + HG2 ARG 141 OK 100 100 - 100 - 1.8=100 HG LEU 97 + HG2 ARG 141 OK 48 100 - 49 - 3211=8, 2.1/3218=4...(24) HG3 ARG 141 - HG2 ARG 144 OK 34 96 - 35 - 4808=7, 4808/1.8=3...(8) HB2 MET 68 - HG2 ARG 141 OK 26 81 - 32 - 1.8/4797=4, ~4806=3...(12) HG LEU 26 - HG2 ARG 141 OK 25 94 - 26 - ~10505=8, 3211=3, ~279=2...(10) HD3 LYS 48 - HG2 ARG 141 OK 20 85 - 24 - 3.0/1177=2, 1.8/1199=2...(8) HD3 LYS 48 - HG2 ARG 144 OK 17 78 - 22 - 3.0/1177=2, 1.8/1199=2...(6) HG LEU 97 - HG2 ARG 144 lone 8 95 - 9 - 3211=1 HB2 ARG 145 - HG2 ARG 141 lone 2 68 - 4 - HB2 ARG 145 - HG2 ARG 144 lone 2 60 - 4 - 4.0/7890=3 HG LEU 26 - HG2 ARG 144 lone 1 87 - 1 - HB2 MET 68 - HG2 ARG 144 lone 1 74 - 1 - Peak 4801 from aliabs.peaks (3.20, 1.61, 27.30 ppm; 2.54 A): 3 out of 22 assignments used, quality = 0.99: * HD2 ARG 141 + HG2 ARG 141 OK 87 100 - 87 - 3.0=61, 4811/1.8=12...(34) HD3 ARG 141 + HG2 ARG 141 OK 86 99 - 87 - 3.0=61, 4811/1.8=12...(34) HD3 ARG 144 + HG2 ARG 144 OK 56 65 - 86 - 3.0=63, 1.8/4923=6...(44) HD2 ARG 140 - HG2 ARG 141 OK 28 68 - 41 - 4811/1.8=4, 3.4/4798=3...(14) HD3 ARG 140 - HG2 ARG 141 OK 27 68 - 39 - 4811/1.8=5, 3.4/4798=3...(11) HD2 ARG 55 - HG2 ARG 144 OK 25 95 - 26 - 4889/3.0=3, 4898/3.0=2...(14) HD2 ARG 141 - HG2 ARG 144 OK 22 96 - 23 - 3.0/4808=3, 4817=2...(6) HD3 ARG 141 - HG2 ARG 144 OK 22 93 - 23 - 3.0/4808=3, 4826=2...(6) HD3 ARG 55 - HG2 ARG 144 OK 20 90 - 22 - 4890/3.0=2, 4899/3.0=2...(10) HD3 ARG 144 - HG2 ARG 141 OK 13 72 - 18 - 4810/1.8=2, 1.8/4923=2...(6) HA VAL 73 - HG2 ARG 144 lone 8 95 - 8 - 3.0/4909=1 HD2 ARG 55 - HG2 ARG 141 lone 8 100 - 7 - 4811/1.8=1 HD3 ARG 55 - HG2 ARG 141 lone 7 96 - 7 - HA VAL 73 - HG2 ARG 141 lone 3 100 - 3 - HD3 ARG 140 - HG2 ARG 144 lone 2 60 - 3 - HD2 ARG 140 - HG2 ARG 144 lone 2 60 - 3 - HG3 MET 46 - HG2 ARG 141 lone 1 77 - 1 - HA LEU 39 - HG2 ARG 141 lone 1 100 - 1 - HA LEU 39 - HG2 ARG 144 lone 0 94 - 0 - HB3 TYR 117 - HG2 ARG 141 lone 0 72 - 0 - HG3 MET 46 - HG2 ARG 144 lone 0 70 - 0 - HB3 TYR 117 - HG2 ARG 144 lone 0 65 - 0 - Peak 4802 from aliabs.peaks (3.21, 1.61, 27.30 ppm; 2.70 A): 2 out of 20 assignments used, quality = 0.99: * HD3 ARG 141 + HG2 ARG 141 OK 93 100 - 93 - 3.0=74, 4811/1.8=13...(36) HD2 ARG 141 + HG2 ARG 141 OK 92 99 - 93 - 3.0=74, 4811/1.8=13...(38) HD2 ARG 140 - HG2 ARG 141 OK 40 85 - 47 - 4811/1.8=4, 3.4/4798=3...(15) HD3 ARG 140 - HG2 ARG 141 OK 39 85 - 45 - 4811/1.8=5, 3.4/4798=3...(13) HD2 ARG 55 - HG2 ARG 144 OK 27 92 - 30 - 4889/3.0=3, 4898/3.0=3...(14) HD3 ARG 141 - HG2 ARG 144 OK 25 96 - 27 - 4826=3, 3.0/4808=3...(7) HD2 ARG 141 - HG2 ARG 144 OK 24 93 - 26 - 3.0/4808=3, 4817=3...(7) HD3 ARG 55 - HG2 ARG 144 OK 19 78 - 25 - 4890/3.0=2, 4899/3.0=2...(12) HA VAL 73 - HG2 ARG 144 lone 9 90 - 10 - 3.0/4909=1, ~4918=1 HD2 ARG 55 - HG2 ARG 141 lone 9 98 - 8 - 4811/1.8=1 HD3 ARG 55 - HG2 ARG 141 lone 7 85 - 8 - HA VAL 73 - HG2 ARG 141 lone 3 96 - 3 - HD3 ARG 140 - HG2 ARG 144 lone 3 78 - 4 - HD2 ARG 140 - HG2 ARG 144 lone 3 78 - 4 - HG3 MET 46 - HG2 ARG 141 lone 1 92 - 1 - HA LEU 39 - HG2 ARG 141 lone 1 94 - 1 - HB3 TYR 117 - HG2 ARG 141 lone 0 89 - 0 - HG3 MET 46 - HG2 ARG 144 lone 0 84 - 0 - HA LEU 39 - HG2 ARG 144 lone 0 87 - 0 - HB3 TYR 117 - HG2 ARG 144 lone 0 81 - 0 - Peak 4805 from aliabs.peaks (4.24, 1.68, 27.30 ppm; 3.40 A): 1 out of 7 assignments used, quality = 0.96: * HA ARG 141 + HG3 ARG 141 OK 96 100 - 96 - 3.8=69, 4770/2.8=17...(37) HA GLU 142 - HG3 ARG 141 OK 44 81 - 54 - 2.9/4812=11, 4796/1.8=7...(17) HA LYS 93 - HG3 ARG 141 OK 18 62 - 28 - 3.0/4807=4, 3.0/3028=2...(13) HB THR 92 - HG3 ARG 141 OK 14 72 - 20 - 4796/1.8=3, 4787/2.8=2...(10) HB THR 102 - HG3 ARG 141 lone 8 98 - 8 - 4796/1.8=1 HA LYS 85 - HG3 ARG 141 lone 5 94 - 5 - HA2 GLY 50 - HG3 ARG 141 lone 2 57 - 4 - Peak 4806 from aliabs.peaks (1.82, 1.68, 27.30 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 141 + HG3 ARG 141 OK 100 100 - 100 - 2.8=100 HB3 MET 68 + HG3 ARG 141 OK 46 100 - 46 - 4782=5, 4797/1.8=5...(24) HD3 LYS 36 - HG3 ARG 141 OK 41 100 - 41 - 4797/1.8=5, 4788/2.8=4...(18) HB VAL 80 - HG3 ARG 141 OK 25 98 - 25 - 4797/1.8=3, 4788/2.8=2...(14) HB2 LYS 24 - HG3 ARG 141 OK 13 92 - 14 - 1.8/4807=2, 4797/1.8=1...(4) HB2 MET 11 - HG3 ARG 141 lone 6 94 - 7 - HB2 ARG 124 - HG3 ARG 141 lone 3 77 - 4 - HB3 LEU 72 - HG3 ARG 141 lone 3 62 - 5 - Peak 4807 from aliabs.peaks (1.89, 1.68, 27.30 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.95: * HB3 ARG 141 + HG3 ARG 141 OK 92 100 - 92 - 2.8=74, 4798/1.8=10...(41) HB3 ARG 140 + HG3 ARG 141 OK 43 99 - 44 - 4791=6, 4798/1.8=5...(12) HB3 LYS 93 - HG3 ARG 141 OK 23 100 - 23 - 3040=3, 4798/1.8=2...(6) HB3 LYS 48 - HG3 ARG 141 OK 16 72 - 23 - 2.9/4808=2, 4798/1.8=2...(6) HB2 LYS 36 - HG3 ARG 141 OK 16 72 - 22 - 3.6/4806=2, 4798/1.8=2...(7) HB3 LYS 24 - HG3 ARG 141 lone 8 85 - 9 - 1.8/4806=1 HB3 ARG 89 - HG3 ARG 141 lone 4 77 - 5 - HB3 GLN 111 - HG3 ARG 141 lone 1 85 - 2 - HB2 GLN 62 - HG3 ARG 141 lone 1 89 - 1 - Peak 4808 from aliabs.peaks (1.61, 1.68, 27.30 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HG2 ARG 141 + HG3 ARG 141 OK 100 100 - 100 - 1.8=100 HB2 LEU 97 - HG3 ARG 141 OK 43 100 - 43 - 3199=5, 1.8/3206=4...(22) HG2 ARG 144 - HG3 ARG 141 OK 32 99 - 32 - 4800=6, 4797/2.8=2...(7) HG3 ARG 144 - HG3 ARG 141 OK 27 85 - 31 - 1.8/4800=4, 4790/2.8=2...(6) HG3 LYS 48 - HG3 ARG 141 OK 24 92 - 26 - 1190=3, 1.8/1179=2...(8) HG LEU 108 - HG3 ARG 141 lone 5 100 - 5 - HG3 ARG 49 - HG3 ARG 141 lone 4 92 - 4 - HB2 LEU 79 - HG3 ARG 141 lone 3 81 - 3 - HD2 LYS 61 - HG3 ARG 141 lone 2 85 - 2 - HD3 LYS 61 - HG3 ARG 141 lone 2 81 - 2 - HB2 LEU 87 - HG3 ARG 141 lone 1 68 - 2 - Peak 4809 from aliabs.peaks (1.68, 1.68, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 141 + HG3 ARG 141 OK 100 100 - 100 Peak 4810 from aliabs.peaks (3.20, 1.68, 27.30 ppm; 2.99 A): 2 out of 11 assignments used, quality = 1.00: * HD2 ARG 141 + HG3 ARG 141 OK 100 100 - 100 - 3.0=100 HD3 ARG 141 + HG3 ARG 141 OK 99 99 - 100 - 3.0=100 HD2 ARG 140 - HG3 ARG 141 OK 36 68 - 53 - 3.4/4807=5, 4802/1.8=4...(30) HD3 ARG 140 - HG3 ARG 141 OK 35 68 - 52 - 4802/1.8=5, 3.4/4807=5...(28) HD3 ARG 144 - HG3 ARG 141 OK 21 72 - 30 - 3.0/4808=4, 3.0/4808=3...(12) HD2 ARG 55 - HG3 ARG 141 OK 13 100 - 12 - 4907/1.8=1, 4818=1 HD3 ARG 55 - HG3 ARG 141 OK 11 96 - 11 - HA VAL 73 - HG3 ARG 141 lone 4 100 - 4 - HA LEU 39 - HG3 ARG 141 lone 2 100 - 2 - 3.8/8113=2 HG3 MET 46 - HG3 ARG 141 lone 1 77 - 1 - HB3 TYR 117 - HG3 ARG 141 lone 0 72 - 1 - Peak 4811 from aliabs.peaks (3.21, 1.68, 27.30 ppm; 2.65 A): 2 out of 10 assignments used, quality = 0.99: * HD3 ARG 141 + HG3 ARG 141 OK 91 100 - 91 - 3.0=69, 4802/1.8=11...(40) HD2 ARG 141 + HG3 ARG 141 OK 90 99 - 91 - 3.0=69, 4802/1.8=11...(38) HD2 ARG 140 - HG3 ARG 141 OK 36 85 - 43 - 3.4/4807=4, 4802/1.8=3...(13) HD3 ARG 140 - HG3 ARG 141 OK 36 85 - 42 - 4802/1.8=4, 3.4/4807=4...(11) HD2 ARG 55 - HG3 ARG 141 lone 9 98 - 9 - HD3 ARG 55 - HG3 ARG 141 lone 7 85 - 8 - HA VAL 73 - HG3 ARG 141 lone 3 96 - 3 - HA LEU 39 - HG3 ARG 141 lone 1 94 - 2 - 3.8/8113=1 HG3 MET 46 - HG3 ARG 141 lone 1 92 - 1 - HB3 TYR 117 - HG3 ARG 141 lone 0 89 - 0 - Peak 4814 from aliabs.peaks (4.24, 3.20, 43.40 ppm; 4.23 A): 2 out of 28 assignments used, quality = 1.00: * HA ARG 141 + HD2 ARG 141 OK 98 100 - 98 - 5.2=54, 4805/3.0=22...(39) HA ARG 141 + HD3 ARG 141 OK 94 96 - 98 - 5.2=54, 4805/3.0=22...(39) HA GLU 142 - HD2 ARG 141 OK 42 81 - 51 - 4805/3.0=10, 4796/3.0=7...(11) HA GLU 142 - HD3 ARG 141 OK 38 74 - 51 - 4805/3.0=10, 4796/3.0=7...(11) HA LYS 93 - HD2 ARG 141 OK 17 62 - 27 - 4805/3.0=4, 4787/3.5=2...(17) HA LYS 93 - HD3 ARG 141 OK 15 56 - 27 - 4805/3.0=4, 4787/3.5=2...(18) HB THR 92 - HD2 ARG 141 OK 15 72 - 21 - 4805/3.0=4, ~10086=3...(8) HB THR 92 - HD3 ARG 141 OK 13 65 - 20 - 4805/3.0=4, 3.0/10086=3...(8) HA ARG 141 - HD2 ARG 55 poor 10 70 - 14 - 4774=1, 3.8/4810=1...(5) HA ARG 141 - HD3 ARG 55 poor 8 55 - 14 - 4774=1, 4774/1.8=1...(5) HB THR 102 - HD2 ARG 141 lone 6 98 - 6 - 4805/3.0=2, 4796/3.0=1 HB THR 102 - HD3 ARG 141 lone 6 92 - 6 - 4805/3.0=2, 4796/3.0=1 HA LYS 85 - HD2 ARG 141 lone 5 94 - 5 - 4805/3.0=1 HA LYS 85 - HD3 ARG 141 lone 5 87 - 5 - 4805/3.0=1 HA LYS 85 - HD2 ARG 55 lone 2 61 - 3 - HA2 GLY 50 - HD2 ARG 141 lone 2 57 - 3 - HA2 GLY 50 - HD3 ARG 141 lone 1 51 - 3 - HA LYS 85 - HD3 ARG 55 lone 1 47 - 2 - HB THR 92 - HD2 ARG 55 lone 1 43 - 2 - HA GLU 142 - HD2 ARG 55 lone 1 50 - 1 - HB THR 92 - HD3 ARG 55 lone 1 33 - 2 - HA LYS 93 - HD2 ARG 55 lone 1 36 - 1 - HA GLU 142 - HD3 ARG 55 lone 1 38 - 1 - HB THR 102 - HD2 ARG 55 lone 0 66 - 1 - HB THR 102 - HD3 ARG 55 lone 0 51 - 1 - HA2 GLY 50 - HD2 ARG 55 lone 0 33 - 1 - HA LYS 93 - HD3 ARG 55 lone 0 27 - 1 - HA2 GLY 50 - HD3 ARG 55 lone 0 25 - 1 - Peak 4815 from aliabs.peaks (1.82, 3.20, 43.40 ppm; 3.61 A): 2 out of 32 assignments used, quality = 1.00: * HB2 ARG 141 + HD2 ARG 141 OK 100 100 - 100 - 3.5=100 HB2 ARG 141 + HD3 ARG 141 OK 96 96 - 100 - 3.5=100 HB3 MET 68 - HD2 ARG 141 OK 33 100 - 33 - 4806/3.0=7, 4788/3.5=5...(12) HB3 MET 68 - HD3 ARG 141 OK 31 95 - 32 - 4806/3.0=7, 4788/3.5=5...(12) HD3 LYS 36 - HD2 ARG 141 OK 26 100 - 26 - 4806/3.0=6, 4797/3.0=4...(10) HD3 LYS 36 - HD3 ARG 141 OK 24 95 - 26 - 4806/3.0=6, 4797/3.0=4...(10) HB VAL 80 - HD2 ARG 141 OK 15 98 - 15 - 4806/3.0=3, 4788/3.5=2...(7) HB VAL 80 - HD3 ARG 141 OK 13 92 - 15 - 4806/3.0=3, 4788/3.5=2...(6) HB2 ARG 141 - HD2 ARG 55 OK 13 70 - 18 - 4783=2, 2.8/4810=1...(5) HB2 LYS 24 - HD2 ARG 141 poor 10 92 - 11 - 4806/3.0=2, 4797/3.0=1...(4) HB2 ARG 141 - HD3 ARG 55 poor 10 55 - 17 - 4783=2, 4783/1.8=1...(4) HB2 LYS 24 - HD3 ARG 141 poor 9 84 - 11 - 4806/3.0=2, 4797/3.0=1...(4) HB2 MET 11 - HD2 ARG 141 lone 4 94 - 4 - HB2 MET 11 - HD3 ARG 141 lone 3 87 - 4 - HB2 ARG 124 - HD2 ARG 141 lone 3 77 - 4 - HB2 ARG 124 - HD3 ARG 141 lone 3 70 - 4 - HB3 LEU 72 - HD2 ARG 141 lone 2 62 - 4 - HB3 LEU 72 - HD2 ARG 55 lone 2 36 - 6 - 4.4/6764=1 HD3 LYS 36 - HD2 ARG 55 lone 2 69 - 3 - HB3 LEU 72 - HD3 ARG 141 lone 2 56 - 3 - HB3 LEU 72 - HD3 ARG 55 lone 2 27 - 6 - 4.4/6764=2 HD3 LYS 36 - HD3 ARG 55 lone 1 54 - 2 - HB3 MET 68 - HD2 ARG 55 lone 1 70 - 1 - HB2 LYS 24 - HD2 ARG 55 lone 1 59 - 1 - HB3 MET 68 - HD3 ARG 55 lone 1 55 - 1 - HB VAL 80 - HD2 ARG 55 lone 1 66 - 1 - HB2 LYS 24 - HD3 ARG 55 lone 1 45 - 1 - HB VAL 80 - HD3 ARG 55 lone 1 51 - 1 - HB2 ARG 124 - HD2 ARG 55 lone 0 47 - 1 - HB2 ARG 124 - HD3 ARG 55 lone 0 35 - 1 - HB2 MET 11 - HD2 ARG 55 lone 0 61 - 1 - HB2 MET 11 - HD3 ARG 55 lone 0 47 - 0 - Peak 4816 from aliabs.peaks (1.89, 3.20, 43.40 ppm; 3.20 A): 3 out of 36 assignments used, quality = 1.00: * HB3 ARG 141 + HD2 ARG 141 OK 97 100 - 97 - 3.5=76, 4807/3.0=14...(43) HB3 ARG 141 + HD3 ARG 141 OK 93 96 - 97 - 3.5=76, 4807/3.0=14...(45) HB3 ARG 140 + HD2 ARG 141 OK 48 99 - 49 - 4807/3.0=7, 4798/3.0=5...(24) HB3 ARG 140 - HD3 ARG 141 OK 44 93 - 47 - 4807/3.0=7, 4798/3.0=5...(25) HB3 LYS 48 - HD2 ARG 141 OK 18 72 - 25 - 4807/3.0=2, 4798/3.0=2...(6) HB3 LYS 93 - HD2 ARG 141 OK 17 100 - 17 - 4807/3.0=3, 4798/3.0=2...(5) HB3 LYS 93 - HD3 ARG 141 OK 16 94 - 17 - 4807/3.0=3, 4798/3.0=2...(5) HB3 LYS 48 - HD3 ARG 141 OK 16 65 - 24 - 4807/3.0=2, 4798/3.0=2...(6) HB3 ARG 141 - HD2 ARG 55 OK 11 70 - 15 - 4792=1, 2.8/4810=1, 1.8/4783=1 HB2 LYS 36 - HD2 ARG 141 poor 10 72 - 14 - 4807/3.0=2, 4798/3.0=2...(5) HB2 LYS 36 - HD3 ARG 141 poor 9 65 - 13 - 4807/3.0=2, 4798/3.0=2...(5) HB3 ARG 141 - HD3 ARG 55 poor 8 55 - 14 - 4792=1, 4792/1.8=1, 2.8/4810=1 HB3 LYS 24 - HD2 ARG 141 lone 7 85 - 8 - 4807/3.0=1 HB3 LYS 24 - HD3 ARG 141 lone 6 78 - 8 - 4807/3.0=1 HB3 ARG 89 - HD2 ARG 141 lone 3 77 - 4 - HB3 ARG 89 - HD3 ARG 141 lone 3 70 - 4 - HB3 GLN 111 - HD2 ARG 141 lone 1 85 - 2 - HB3 LYS 24 - HD2 ARG 55 lone 1 53 - 2 - 11353/6.4=1 HB3 GLN 111 - HD3 ARG 141 lone 1 78 - 1 - HB2 GLN 62 - HD2 ARG 141 lone 1 89 - 1 - HB2 GLN 62 - HD3 ARG 141 lone 1 81 - 1 - HB3 LYS 24 - HD3 ARG 55 lone 1 41 - 2 - 11353/6.4=1 HB3 ARG 140 - HD2 ARG 55 lone 1 67 - 1 - HB3 ARG 140 - HD3 ARG 55 lone 1 52 - 1 - HB2 LYS 36 - HD2 ARG 55 lone 1 43 - 2 - HB3 LYS 48 - HD2 ARG 55 lone 1 43 - 2 - HB3 LYS 93 - HD2 ARG 55 lone 0 68 - 1 - HB2 LYS 36 - HD3 ARG 55 lone 0 33 - 1 - HB3 LYS 48 - HD3 ARG 55 lone 0 33 - 1 - HB3 LYS 93 - HD3 ARG 55 lone 0 53 - 1 - HB3 ARG 89 - HD2 ARG 55 lone 0 47 - 0 - HB3 GLN 111 - HD2 ARG 55 lone 0 53 - 0 - HB2 GLN 62 - HD2 ARG 55 lone 0 56 - 0 - HB3 GLN 111 - HD3 ARG 55 lone 0 41 - 0 - HB3 ARG 89 - HD3 ARG 55 lone 0 35 - 0 - HB2 GLN 62 - HD3 ARG 55 lone 0 43 - 0 - Peak 4817 from aliabs.peaks (1.61, 3.20, 43.40 ppm; 2.85 A): 2 out of 44 assignments used, quality = 1.00: * HG2 ARG 141 + HD2 ARG 141 OK 97 100 - 97 - 3.0=86, 1.8/4811=14...(41) HG2 ARG 141 + HD3 ARG 141 OK 93 96 - 97 - 3.0=86, 1.8/4811=14...(38) HB2 LEU 97 - HD2 ARG 141 OK 35 100 - 35 - 3199/3.0=5, 4790/3.5=3...(15) HB2 LEU 97 - HD3 ARG 141 OK 33 95 - 35 - 3199/3.0=5, 4790/3.5=3...(15) HG2 ARG 144 - HD2 ARG 141 OK 27 99 - 28 - 4802=4, 4808/3.0=3...(9) HG2 ARG 144 - HD3 ARG 141 OK 27 93 - 29 - 4802=4, 4808/3.0=3...(10) HG2 ARG 144 - HD2 ARG 55 OK 26 67 - 39 - 4907=5, 1.8/4916=4...(18) HG3 ARG 144 - HD2 ARG 141 OK 24 85 - 28 - 1.8/4802=3, 4808/3.0=3...(13) HG3 ARG 144 - HD3 ARG 141 OK 23 78 - 30 - 1.8/4802=3, 4808/3.0=3...(13) HG3 ARG 144 - HD2 ARG 55 OK 20 53 - 39 - 4916=4, 1.8/4907=4...(18) HG3 LYS 48 - HD2 ARG 141 OK 19 92 - 21 - 4808/3.0=2, 701/3.5=2...(5) HG3 LYS 48 - HD3 ARG 141 OK 17 84 - 20 - 4808/3.0=2, 701/3.5=2...(5) HG2 ARG 144 - HD3 ARG 55 OK 17 52 - 32 - 4907/1.8=3, 1.8/4917=3...(16) HG3 ARG 144 - HD3 ARG 55 OK 13 41 - 33 - 4917=4, 4916/1.8=3...(18) HG2 ARG 141 - HD2 ARG 55 poor 8 70 - 10 - 4907=1, 1.8/4810=1 HB2 LEU 79 - HD2 ARG 55 poor 6 50 - 12 - 2368/3.0=2, 2368/3.0=2, ~2358=1 HG2 ARG 141 - HD3 ARG 55 poor 6 55 - 10 - 1.8/4810=1, 4907=1 HB2 LEU 79 - HD3 ARG 55 poor 5 38 - 12 - 2368/3.0=2, 2368/3.0=2, ~2358=1 HG LEU 108 - HD2 ARG 141 lone 4 100 - 4 - HG LEU 108 - HD3 ARG 141 lone 4 95 - 4 - HG3 ARG 49 - HD2 ARG 141 lone 3 92 - 3 - HG3 ARG 49 - HD3 ARG 141 lone 3 84 - 3 - HB2 LEU 79 - HD2 ARG 141 lone 2 81 - 3 - HB2 LEU 79 - HD3 ARG 141 lone 2 74 - 3 - HD2 LYS 61 - HD2 ARG 141 lone 1 85 - 1 - HD3 LYS 61 - HD2 ARG 141 lone 1 81 - 1 - HB2 LEU 87 - HD2 ARG 141 lone 1 68 - 1 - HD2 LYS 61 - HD3 ARG 141 lone 1 78 - 1 - HD3 LYS 61 - HD3 ARG 141 lone 1 74 - 1 - HB2 LEU 87 - HD3 ARG 141 lone 1 60 - 1 - HG3 LYS 48 - HD2 ARG 55 lone 1 59 - 1 - HG3 ARG 49 - HD2 ARG 55 lone 1 59 - 1 - HG3 LYS 48 - HD3 ARG 55 lone 0 45 - 1 - HB2 LEU 97 - HD2 ARG 55 lone 0 70 - 1 - HB2 LEU 87 - HD2 ARG 55 lone 0 40 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 0 45 - 1 - HG LEU 108 - HD2 ARG 55 lone 0 70 - 0 - HB2 LEU 97 - HD3 ARG 55 lone 0 55 - 1 - HB2 LEU 87 - HD3 ARG 55 lone 0 30 - 1 - HG LEU 108 - HD3 ARG 55 lone 0 55 - 0 - HD2 LYS 61 - HD2 ARG 55 lone 0 53 - 0 - HD3 LYS 61 - HD2 ARG 55 lone 0 50 - 0 - HD2 LYS 61 - HD3 ARG 55 lone 0 41 - 0 - HD3 LYS 61 - HD3 ARG 55 lone 0 38 - 0 - Peak 4818 from aliabs.peaks (1.68, 3.20, 43.40 ppm; 3.18 A): 2 out of 24 assignments used, quality = 1.00: * HG3 ARG 141 + HD2 ARG 141 OK 100 100 - 100 - 3.0=100 HG3 ARG 141 + HD3 ARG 141 OK 96 96 - 100 - 3.0=100 HG LEU 97 - HD2 ARG 141 OK 44 100 - 44 - 4800/3.0=5, 4791/3.5=5...(24) HG LEU 97 - HD3 ARG 141 OK 42 95 - 44 - 4800/3.0=5, 4791/3.5=5...(24) HB2 MET 68 - HD2 ARG 141 OK 28 81 - 34 - 1.8/4815=3, 4791/3.5=3...(21) HB2 MET 68 - HD3 ARG 141 OK 25 74 - 34 - 4791/3.5=3, 4800/3.0=3...(20) HG LEU 26 - HD2 ARG 141 OK 25 94 - 26 - ~10505=10, 4800/3.0=3...(12) HG LEU 26 - HD3 ARG 141 OK 23 87 - 26 - ~10505=10, 4800/3.0=3...(12) HD3 LYS 48 - HD2 ARG 141 OK 17 85 - 20 - 4800/3.0=2, 4791/3.5=2...(5) HD3 LYS 48 - HD3 ARG 141 OK 15 78 - 20 - 4800/3.0=2, 4791/3.5=2...(5) HG3 ARG 141 - HD2 ARG 55 OK 11 70 - 15 - 4810=2, 4810/1.8=1, 1.8/4907=1 HG3 ARG 141 - HD3 ARG 55 poor 8 55 - 14 - 4810=2, 4810/1.8=2 HB2 ARG 145 - HD2 ARG 55 poor 5 40 - 12 - 3.0/10388=3, 4.0/7892=2 HB2 ARG 145 - HD2 ARG 141 lone 4 68 - 6 - 3.0/10388=1 HB2 ARG 145 - HD3 ARG 141 lone 4 60 - 6 - 3.0/10388=2 HB2 ARG 145 - HD3 ARG 55 poor 4 30 - 12 - 3.0/10388=2, ~10388=2 HG LEU 26 - HD2 ARG 55 lone 1 61 - 1 - HG LEU 97 - HD2 ARG 55 lone 1 70 - 1 - HG LEU 26 - HD3 ARG 55 lone 1 47 - 1 - HD3 LYS 48 - HD2 ARG 55 lone 1 53 - 1 - HG LEU 97 - HD3 ARG 55 lone 0 55 - 1 - HB2 MET 68 - HD2 ARG 55 lone 0 50 - 1 - HD3 LYS 48 - HD3 ARG 55 lone 0 41 - 1 - HB2 MET 68 - HD3 ARG 55 lone 0 38 - 1 - Peak 4819 from aliabs.peaks (3.20, 3.20, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 141 + HD2 ARG 141 OK 100 100 - 100 HD3 ARG 141 + HD3 ARG 141 OK 93 93 - 100 HD2 ARG 55 + HD2 ARG 55 OK 70 70 - 100 HD3 ARG 55 + HD3 ARG 55 OK 49 49 - 100 Peak 4820 from aliabs.peaks (3.21, 3.20, 43.40 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HD2 ARG 141 + HD2 ARG 141 OK 99 99 - 100 HD3 ARG 141 + HD3 ARG 141 OK 96 96 - 100 HD2 ARG 55 + HD2 ARG 55 OK 66 66 - 100 HD3 ARG 55 - HD3 ARG 55 OK 41 41 - 100 Reference assignment not found: HD3 ARG 141 - HD2 ARG 141 Peak 4823 from aliabs.peaks (4.24, 3.21, 43.40 ppm; 4.23 A): 2 out of 28 assignments used, quality = 1.00: * HA ARG 141 + HD3 ARG 141 OK 98 100 - 98 - 5.2=54, 4805/3.0=22...(39) HA ARG 141 + HD2 ARG 141 OK 94 96 - 98 - 5.2=54, 4805/3.0=22...(39) HA GLU 142 - HD3 ARG 141 OK 42 81 - 51 - 4805/3.0=10, 4796/3.0=7...(11) HA GLU 142 - HD2 ARG 141 OK 38 74 - 51 - 4805/3.0=10, 4796/3.0=7...(11) HA LYS 93 - HD3 ARG 141 OK 17 62 - 27 - 4805/3.0=4, 4.8/10086=3...(18) HB THR 92 - HD3 ARG 141 OK 15 72 - 21 - 4805/3.0=4, 3.0/10086=4...(8) HA LYS 93 - HD2 ARG 141 OK 15 56 - 27 - 4805/3.0=4, 4.8/10086=2...(17) HB THR 92 - HD2 ARG 141 OK 14 65 - 21 - 4805/3.0=4, 3.0/10086=3...(8) HA ARG 141 - HD2 ARG 55 poor 8 59 - 13 - 4775=1, 3.8/4810=1...(5) HB THR 102 - HD3 ARG 141 lone 6 98 - 6 - 4805/3.0=2, 4796/3.0=1 HB THR 102 - HD2 ARG 141 lone 6 92 - 6 - 4805/3.0=2, 4796/3.0=1 HA LYS 85 - HD3 ARG 141 lone 5 94 - 5 - 4805/3.0=1 HA LYS 85 - HD2 ARG 141 lone 5 87 - 5 - 4805/3.0=1 HA ARG 141 - HD3 ARG 55 poor 5 33 - 13 - 4774=1, 4774/1.8=1...(5) HA2 GLY 50 - HD3 ARG 141 lone 2 57 - 3 - HA2 GLY 50 - HD2 ARG 141 lone 1 51 - 3 - HA LYS 85 - HD2 ARG 55 lone 1 52 - 3 - HB THR 92 - HD2 ARG 55 lone 1 36 - 2 - HA LYS 85 - HD3 ARG 55 lone 1 29 - 2 - HA GLU 142 - HD2 ARG 55 lone 1 42 - 1 - HA LYS 93 - HD2 ARG 55 lone 0 30 - 1 - HB THR 102 - HD2 ARG 55 lone 0 55 - 1 - HB THR 92 - HD3 ARG 55 lone 0 19 - 2 - HA2 GLY 50 - HD2 ARG 55 lone 0 27 - 1 - HA GLU 142 - HD3 ARG 55 lone 0 23 - 1 - HB THR 102 - HD3 ARG 55 lone 0 31 - 1 - HA LYS 93 - HD3 ARG 55 lone 0 16 - 1 - HA2 GLY 50 - HD3 ARG 55 lone 0 14 - 1 - Peak 4824 from aliabs.peaks (1.82, 3.21, 43.40 ppm; 3.61 A): 2 out of 32 assignments used, quality = 1.00: * HB2 ARG 141 + HD3 ARG 141 OK 100 100 - 100 - 3.5=100 HB2 ARG 141 + HD2 ARG 141 OK 96 96 - 100 - 3.5=100 HB3 MET 68 - HD3 ARG 141 OK 33 100 - 33 - 4806/3.0=7, 4788/3.5=5...(12) HB3 MET 68 - HD2 ARG 141 OK 31 95 - 33 - 4806/3.0=7, 4788/3.5=5...(12) HD3 LYS 36 - HD3 ARG 141 OK 26 100 - 26 - 4806/3.0=6, 4797/3.0=4...(10) HD3 LYS 36 - HD2 ARG 141 OK 25 95 - 26 - 4806/3.0=6, 4797/3.0=4...(10) HB VAL 80 - HD3 ARG 141 OK 15 98 - 15 - 4806/3.0=3, 4788/3.5=2...(6) HB VAL 80 - HD2 ARG 141 OK 14 92 - 15 - 4806/3.0=3, 4788/3.5=2...(7) HB2 ARG 141 - HD2 ARG 55 OK 11 59 - 18 - 4783=2, 2.8/4810=1...(5) HB2 LYS 24 - HD3 ARG 141 poor 10 92 - 11 - 4806/3.0=2, 4797/3.0=1...(4) HB2 LYS 24 - HD2 ARG 141 poor 9 84 - 11 - 4806/3.0=2, 4797/3.0=1...(4) HB2 ARG 141 - HD3 ARG 55 poor 6 33 - 17 - 4783=2, 4783/1.8=1...(4) HB2 MET 11 - HD3 ARG 141 lone 4 94 - 4 - HB2 MET 11 - HD2 ARG 141 lone 3 87 - 4 - HB2 ARG 124 - HD3 ARG 141 lone 3 77 - 4 - HB2 ARG 124 - HD2 ARG 141 lone 3 70 - 4 - HB3 LEU 72 - HD3 ARG 141 lone 2 62 - 3 - HB3 LEU 72 - HD2 ARG 141 lone 2 56 - 3 - HB3 LEU 72 - HD2 ARG 55 lone 2 30 - 5 - 4.4/6764=1 HD3 LYS 36 - HD2 ARG 55 lone 1 59 - 2 - HB3 LEU 72 - HD3 ARG 55 lone 1 16 - 6 - 4.4/6764=2 HB3 MET 68 - HD2 ARG 55 lone 1 59 - 1 - HB2 LYS 24 - HD2 ARG 55 lone 1 49 - 1 - HD3 LYS 36 - HD3 ARG 55 lone 1 33 - 2 - HB VAL 80 - HD2 ARG 55 lone 1 55 - 1 - HB2 ARG 124 - HD2 ARG 55 lone 0 39 - 1 - HB3 MET 68 - HD3 ARG 55 lone 0 33 - 1 - HB2 LYS 24 - HD3 ARG 55 lone 0 27 - 1 - HB VAL 80 - HD3 ARG 55 lone 0 31 - 1 - HB2 MET 11 - HD2 ARG 55 lone 0 52 - 1 - HB2 ARG 124 - HD3 ARG 55 lone 0 21 - 1 - HB2 MET 11 - HD3 ARG 55 lone 0 29 - 0 - Peak 4825 from aliabs.peaks (1.89, 3.21, 43.40 ppm; 3.20 A): 4 out of 36 assignments used, quality = 1.00: * HB3 ARG 141 + HD3 ARG 141 OK 97 100 - 97 - 3.5=76, 4807/3.0=14...(45) HB3 ARG 141 + HD2 ARG 141 OK 93 96 - 97 - 3.5=76, 4807/3.0=14...(43) HB3 ARG 140 + HD3 ARG 141 OK 48 99 - 49 - 4807/3.0=7, 4798/3.0=5...(25) HB3 ARG 140 + HD2 ARG 141 OK 46 93 - 50 - 4807/3.0=7, 4798/3.0=5...(25) HB3 LYS 48 - HD3 ARG 141 OK 18 72 - 25 - 4807/3.0=2, 4798/3.0=2...(6) HB3 LYS 93 - HD3 ARG 141 OK 17 100 - 17 - 4807/3.0=3, 4798/3.0=2...(5) HB3 LYS 93 - HD2 ARG 141 OK 16 94 - 17 - 4807/3.0=3, 4798/3.0=2...(5) HB3 LYS 48 - HD2 ARG 141 OK 16 65 - 24 - 4807/3.0=2, 4798/3.0=2...(6) HB2 LYS 36 - HD3 ARG 141 poor 10 72 - 14 - 4807/3.0=2, 4798/3.0=2...(5) HB3 ARG 141 - HD2 ARG 55 poor 9 59 - 15 - 4793=1, 2.8/4810=1 HB2 LYS 36 - HD2 ARG 141 poor 9 65 - 14 - 4807/3.0=2, 4798/3.0=2...(5) HB3 LYS 24 - HD3 ARG 141 lone 7 85 - 8 - 4807/3.0=1 HB3 LYS 24 - HD2 ARG 141 lone 6 78 - 8 - 4807/3.0=1 HB3 ARG 141 - HD3 ARG 55 poor 5 33 - 13 - 4792=1, 4792/1.8=1, 2.8/4810=1 HB3 ARG 89 - HD3 ARG 141 lone 4 77 - 5 - HB3 ARG 89 - HD2 ARG 141 lone 3 70 - 5 - HB3 GLN 111 - HD3 ARG 141 lone 1 85 - 2 - HB3 GLN 111 - HD2 ARG 141 lone 1 78 - 2 - HB2 GLN 62 - HD3 ARG 141 lone 1 89 - 1 - HB2 GLN 62 - HD2 ARG 141 lone 1 81 - 1 - HB3 LYS 24 - HD2 ARG 55 lone 1 44 - 2 - 11353/6.4=1 HB3 ARG 140 - HD2 ARG 55 lone 1 57 - 1 - HB2 LYS 36 - HD2 ARG 55 lone 1 36 - 2 - HB3 LYS 48 - HD2 ARG 55 lone 1 36 - 1 - HB3 LYS 24 - HD3 ARG 55 lone 1 24 - 2 - 11353/6.4=1 HB3 LYS 93 - HD2 ARG 55 lone 0 58 - 1 - HB3 ARG 140 - HD3 ARG 55 lone 0 32 - 1 - HB2 LYS 36 - HD3 ARG 55 lone 0 19 - 1 - HB3 LYS 48 - HD3 ARG 55 lone 0 19 - 1 - HB3 LYS 93 - HD3 ARG 55 lone 0 32 - 1 - HB3 ARG 89 - HD2 ARG 55 lone 0 39 - 0 - HB3 GLN 111 - HD2 ARG 55 lone 0 44 - 0 - HB2 GLN 62 - HD2 ARG 55 lone 0 47 - 0 - HB3 GLN 111 - HD3 ARG 55 lone 0 24 - 0 - HB2 GLN 62 - HD3 ARG 55 lone 0 26 - 0 - HB3 ARG 89 - HD3 ARG 55 lone 0 21 - 0 - Peak 4826 from aliabs.peaks (1.61, 3.21, 43.40 ppm; 2.85 A): 2 out of 44 assignments used, quality = 1.00: * HG2 ARG 141 + HD3 ARG 141 OK 97 100 - 97 - 3.0=86, 1.8/4811=15...(38) HG2 ARG 141 + HD2 ARG 141 OK 93 96 - 97 - 3.0=86, 1.8/4811=14...(41) HB2 LEU 97 - HD3 ARG 141 OK 35 100 - 35 - 3199/3.0=5, 4790/3.5=3...(15) HB2 LEU 97 - HD2 ARG 141 OK 33 95 - 35 - 3199/3.0=5, 4790/3.5=3...(15) HG2 ARG 144 - HD3 ARG 141 OK 29 99 - 29 - 4802=4, 4808/3.0=3...(10) HG3 ARG 144 - HD3 ARG 141 OK 26 85 - 30 - 1.8/4802=3, 4808/3.0=3...(13) HG2 ARG 144 - HD2 ARG 141 OK 25 93 - 26 - 4802=4, 4808/3.0=3...(8) HG2 ARG 144 - HD2 ARG 55 OK 22 57 - 39 - 4907=5, 1.8/4916=4...(18) HG3 ARG 144 - HD2 ARG 141 OK 21 78 - 27 - 1.8/4802=3, 4808/3.0=3...(12) HG3 LYS 48 - HD3 ARG 141 OK 19 92 - 21 - 4808/3.0=2, 701/3.5=2...(5) HG3 LYS 48 - HD2 ARG 141 OK 17 84 - 20 - 4808/3.0=2, 701/3.5=2...(5) HG3 ARG 144 - HD2 ARG 55 OK 17 44 - 39 - 4916=4, 1.8/4907=4...(18) HG2 ARG 144 - HD3 ARG 55 poor 10 32 - 31 - 4907/1.8=3, 1.8/4917=3...(16) HG3 ARG 144 - HD3 ARG 55 poor 8 24 - 31 - 4916/1.8=3, 4917=3...(18) HG2 ARG 141 - HD2 ARG 55 poor 6 59 - 10 - 4907=1, 1.8/4811=1 HB2 LEU 79 - HD2 ARG 55 poor 5 42 - 12 - 2368/3.0=2, 2368/3.0=2, ~2358=1 HG LEU 108 - HD3 ARG 141 lone 4 100 - 4 - HG LEU 108 - HD2 ARG 141 lone 4 95 - 4 - HG2 ARG 141 - HD3 ARG 55 poor 3 33 - 10 - 1.8/4810=1 HG3 ARG 49 - HD3 ARG 141 lone 3 92 - 3 - HG3 ARG 49 - HD2 ARG 141 lone 3 84 - 3 - HB2 LEU 79 - HD3 ARG 55 poor 3 23 - 11 - 2368/3.0=2, 2368/3.0=2, ~2358=1 HB2 LEU 79 - HD3 ARG 141 lone 2 81 - 3 - HB2 LEU 79 - HD2 ARG 141 lone 2 74 - 3 - HD2 LYS 61 - HD3 ARG 141 lone 1 85 - 1 - HD3 LYS 61 - HD3 ARG 141 lone 1 81 - 1 - HD2 LYS 61 - HD2 ARG 141 lone 1 78 - 1 - HB2 LEU 87 - HD3 ARG 141 lone 1 68 - 1 - HD3 LYS 61 - HD2 ARG 141 lone 1 74 - 1 - HB2 LEU 87 - HD2 ARG 141 lone 1 60 - 1 - HG3 LYS 48 - HD2 ARG 55 lone 1 49 - 1 - HG3 ARG 49 - HD2 ARG 55 lone 1 49 - 1 - HB2 LEU 97 - HD2 ARG 55 lone 0 59 - 1 - HB2 LEU 87 - HD2 ARG 55 lone 0 33 - 1 - HG LEU 108 - HD2 ARG 55 lone 0 59 - 0 - HG3 LYS 48 - HD3 ARG 55 lone 0 27 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 0 27 - 1 - HB2 LEU 97 - HD3 ARG 55 lone 0 33 - 1 - HB2 LEU 87 - HD3 ARG 55 lone 0 18 - 1 - HG LEU 108 - HD3 ARG 55 lone 0 33 - 0 - HD2 LYS 61 - HD2 ARG 55 lone 0 44 - 0 - HD3 LYS 61 - HD2 ARG 55 lone 0 42 - 0 - HD2 LYS 61 - HD3 ARG 55 lone 0 24 - 0 - HD3 LYS 61 - HD3 ARG 55 lone 0 23 - 0 - Peak 4827 from aliabs.peaks (1.68, 3.21, 43.40 ppm; 3.18 A): 2 out of 24 assignments used, quality = 1.00: * HG3 ARG 141 + HD3 ARG 141 OK 100 100 - 100 - 3.0=100 HG3 ARG 141 + HD2 ARG 141 OK 96 96 - 100 - 3.0=100 HG LEU 97 - HD3 ARG 141 OK 44 100 - 44 - 4800/3.0=5, 4791/3.5=5...(24) HG LEU 97 - HD2 ARG 141 OK 42 95 - 44 - 4800/3.0=5, 4791/3.5=5...(24) HB2 MET 68 - HD3 ARG 141 OK 28 81 - 34 - 1.8/4824=3, 4791/3.5=3...(20) HB2 MET 68 - HD2 ARG 141 OK 25 74 - 34 - 4791/3.5=3, 4800/3.0=3...(21) HG LEU 26 - HD3 ARG 141 OK 25 94 - 26 - ~10505=10, 4800/3.0=3...(12) HG LEU 26 - HD2 ARG 141 OK 23 87 - 26 - ~10505=10, 4800/3.0=3...(12) HD3 LYS 48 - HD3 ARG 141 OK 17 85 - 20 - 4800/3.0=2, 4791/3.5=2...(5) HD3 LYS 48 - HD2 ARG 141 OK 15 78 - 20 - 4800/3.0=2, 4791/3.5=2...(5) HG3 ARG 141 - HD2 ARG 55 poor 9 59 - 15 - 4810=2, 4810/1.8=1, 1.8/4907=1 HG3 ARG 141 - HD3 ARG 55 poor 5 33 - 14 - 4810=2, 4810/1.8=2 HB2 ARG 145 - HD3 ARG 141 lone 4 68 - 6 - 3.0/10388=2 HB2 ARG 145 - HD2 ARG 55 poor 4 33 - 12 - 3.0/10388=3, 4.0/7892=2 HB2 ARG 145 - HD2 ARG 141 lone 4 60 - 6 - 3.0/10388=2 HB2 ARG 145 - HD3 ARG 55 poor 2 18 - 12 - 3.0/10388=2, ~10388=2 HG LEU 26 - HD2 ARG 55 lone 1 52 - 1 - HG LEU 97 - HD2 ARG 55 lone 1 59 - 1 - HD3 LYS 48 - HD2 ARG 55 lone 0 44 - 1 - HG LEU 26 - HD3 ARG 55 lone 0 29 - 1 - HB2 MET 68 - HD2 ARG 55 lone 0 42 - 1 - HG LEU 97 - HD3 ARG 55 lone 0 33 - 1 - HD3 LYS 48 - HD3 ARG 55 lone 0 24 - 1 - HB2 MET 68 - HD3 ARG 55 lone 0 23 - 1 - Peak 4828 from aliabs.peaks (3.20, 3.21, 43.40 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HD3 ARG 141 + HD3 ARG 141 OK 99 99 - 100 HD2 ARG 141 + HD2 ARG 141 OK 96 96 - 100 HD2 ARG 55 + HD2 ARG 55 OK 59 59 - 100 HD3 ARG 55 - HD3 ARG 55 OK 30 30 - 100 Reference assignment not found: HD2 ARG 141 - HD3 ARG 141 Peak 4829 from aliabs.peaks (3.21, 3.21, 43.40 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 141 + HD3 ARG 141 OK 100 100 - 100 HD2 ARG 141 + HD2 ARG 141 OK 93 93 - 100 HD2 ARG 55 + HD2 ARG 55 OK 55 55 - 100 HD3 ARG 55 - HD3 ARG 55 OK 24 24 - 100 Peak 4832 from aliabs.peaks (4.25, 4.25, 56.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 142 + HA GLU 142 OK 100 100 - 100 Peak 4833 from aliabs.peaks (1.98, 4.25, 56.56 ppm; 3.00 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 142 + HA GLU 142 OK 100 100 - 100 - 3.0=100 HB3 GLU 75 - HA GLU 142 OK 27 98 - 28 - 4847/3.0=5, 4854/4.0=3...(12) HB3 ARG 124 - HA GLU 142 OK 12 85 - 14 - 3.0/10379=4, 4847/3.0=2 HB2 GLN 111 - HA GLU 142 lone 7 81 - 8 - 4847/3.0=1 HB ILE 56 - HA GLU 142 lone 3 99 - 3 - QE MET 11 - HA GLU 142 lone 1 77 - 2 - Peak 4834 from aliabs.peaks (2.10, 4.25, 56.56 ppm; 2.74 A): 1 out of 12 assignments used, quality = 0.94: * HB3 GLU 142 + HA GLU 142 OK 94 100 - 94 - 3.0=77, 1.8/4833=21...(29) HB2 GLU 131 - HA GLU 142 OK 33 85 - 38 - 2.9/4836=5, 4440/2.9=5...(16) HB2 PRO 129 - HA GLU 142 OK 16 89 - 18 - 2.3/10379=4, 2.3/4836=2...(5) HG2 PRO 33 - HA GLU 142 OK 11 100 - 11 - 4841/3.0=2, 7859/2.9=1 HG3 PRO 33 - HA GLU 142 lone 9 92 - 10 - 4841/3.0=1 HB3 LYS 36 - HA GLU 142 lone 6 98 - 6 - 7859/2.9=1 HB3 GLN 25 - HA GLU 142 lone 6 99 - 5 - HG2 PRO 118 - HA GLU 142 lone 2 81 - 2 - HB3 LYS 61 - HA GLU 142 lone 1 77 - 1 - HG2 GLU 122 - HA GLU 142 lone 1 100 - 1 - HB2 LEU 26 - HA GLU 142 lone 1 62 - 1 - HD2 ARG 49 - HA GLU 142 lone 1 68 - 1 - Peak 4835 from aliabs.peaks (2.32, 4.25, 56.56 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.90: * HG2 GLU 142 + HA GLU 142 OK 90 100 - 90 - 4.0=47, 4849/3.0=20...(20) HB3 GLN 47 - HA GLU 142 lone 5 77 - 6 - 4842/3.0=2, 4849/3.0=2 Peak 4836 from aliabs.peaks (2.27, 4.25, 56.56 ppm; 2.92 A): 3 out of 10 assignments used, quality = 0.93: * HG3 GLU 142 + HA GLU 142 OK 85 100 - 85 - 4.0=39, 1.8/4835=29...(15) HG2 GLU 131 + HA GLU 142 OK 41 100 - 42 - 4850/3.0=6, 4843/3.0=6...(17) HG2 GLU 120 + HA GLU 142 OK 21 89 - 24 - 1.8/4835=7, 4850/3.0=3...(8) HG3 PRO 129 - HA GLU 142 OK 16 81 - 20 - 3.8/10379=4, 2.3/4834=3...(7) HG3 GLU 75 - HA GLU 142 OK 11 62 - 18 - 3.0/4833=4, ~2227=2...(7) HB3 MET 113 - HA GLU 142 OK 10 100 - 10 - 4843/3.0=2, 4850/3.0=2...(4) HG3 GLU 120 - HA GLU 142 poor 8 62 - 13 - 4835=3, 4849/3.0=2...(6) HG2 GLU 90 - HA GLU 142 lone 2 100 - 2 - HG3 GLN 62 - HA GLU 142 lone 2 68 - 3 - 3.9/10379=1 HG2 GLN 62 - HA GLU 142 lone 2 72 - 3 - 3.9/10379=1 Peak 4839 from aliabs.peaks (4.25, 1.98, 29.77 ppm; 3.00 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 142 + HB2 GLU 142 OK 100 100 - 100 - 3.0=100 HA ARG 141 - HB2 GLU 142 OK 33 81 - 41 - 3.6/7858=14, 4846/1.8=7...(14) HB THR 92 - HB2 GLU 142 OK 16 100 - 16 - 2.1/10097=4, 4846/1.8=4...(5) HA2 GLY 50 - HB2 GLU 142 lone 3 98 - 3 - HA ALA 135 - HB2 GLU 142 lone 1 72 - 1 - Peak 4840 from aliabs.peaks (1.98, 1.98, 29.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 142 + HB2 GLU 142 OK 100 100 - 100 Peak 4841 from aliabs.peaks (2.10, 1.98, 29.77 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLU 142 + HB2 GLU 142 OK 100 100 - 100 - 1.8=100 HB2 GLU 131 - HB2 GLU 142 OK 34 85 - 40 - 2.9/4843=4, 4855/3.0=4...(16) HB2 PRO 129 - HB2 GLU 142 OK 17 89 - 19 - 2.3/4843=2, ~10379=2...(5) HG2 PRO 33 - HB2 GLU 142 OK 12 100 - 12 - 4855/3.0=1, 4834/3.0=1 HG3 PRO 33 - HB2 GLU 142 OK 11 92 - 12 - 4855/3.0=1, 4834/3.0=1 HB3 GLN 25 - HB2 GLU 142 lone 5 99 - 5 - HB3 LYS 36 - HB2 GLU 142 lone 5 98 - 5 - HG2 PRO 118 - HB2 GLU 142 lone 2 81 - 2 - HG2 GLU 122 - HB2 GLU 142 lone 1 100 - 1 - HB3 LYS 61 - HB2 GLU 142 lone 1 77 - 1 - HD2 ARG 49 - HB2 GLU 142 lone 1 68 - 1 - HB2 LEU 26 - HB2 GLU 142 lone 1 62 - 1 - Peak 4842 from aliabs.peaks (2.32, 1.98, 29.77 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 142 + HB2 GLU 142 OK 100 100 - 100 - 3.0=100 HB3 GLN 47 - HB2 GLU 142 lone 7 77 - 8 - 4849/1.8=2, 4835/3.0=1 Peak 4843 from aliabs.peaks (2.27, 1.98, 29.77 ppm; 2.89 A): 2 out of 10 assignments used, quality = 0.99: * HG3 GLU 142 + HB2 GLU 142 OK 98 100 - 98 - 3.0=90, 1.8/4842=24...(22) HG2 GLU 131 + HB2 GLU 142 OK 52 100 - 53 - 4850/1.8=9, 4861=8...(24) HG2 GLU 120 - HB2 GLU 142 OK 29 89 - 32 - 1.8/4842=8, ~4849=4...(11) HG3 PRO 129 - HB2 GLU 142 OK 20 81 - 25 - 4850/1.8=3, 2.3/4841=3...(8) HG3 GLU 75 - HB2 GLU 142 OK 20 62 - 32 - 1.8/2227=7, 3.0/2212=5...(11) HB3 MET 113 - HB2 GLU 142 OK 20 100 - 19 - 3704=3, 4850/1.8=3...(8) HG3 GLU 120 - HB2 GLU 142 OK 13 62 - 21 - 4842=3, 4849/1.8=2...(10) HG2 GLU 90 - HB2 GLU 142 lone 4 100 - 4 - HG3 GLN 62 - HB2 GLU 142 lone 3 68 - 4 - HG2 GLN 62 - HB2 GLU 142 lone 3 72 - 4 - Peak 4846 from aliabs.peaks (4.25, 2.10, 29.77 ppm; 3.02 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 142 + HB3 GLU 142 OK 100 100 - 100 - 3.0=100 HA ARG 141 - HB3 GLU 142 OK 31 81 - 38 - 3.6/4845=10, 4839/1.8=7...(14) HB THR 92 - HB3 GLU 142 OK 16 100 - 16 - 4839/1.8=4, ~10097=2...(6) HA2 GLY 50 - HB3 GLU 142 lone 3 98 - 3 - HA ALA 135 - HB3 GLU 142 lone 1 72 - 1 - Peak 4847 from aliabs.peaks (1.98, 2.10, 29.77 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 142 + HB3 GLU 142 OK 100 100 - 100 - 1.8=100 HB3 GLU 75 - HB3 GLU 142 OK 25 98 - 25 - 4854/3.0=3, 4833/3.0=3...(12) HB3 ARG 124 - HB3 GLU 142 lone 8 85 - 10 - ~10379=1, 4833/3.0=1, 4854/3.0=1 HB2 GLN 111 - HB3 GLU 142 lone 5 81 - 6 - 2.9/10380=1 HB ILE 56 - HB3 GLU 142 lone 2 99 - 2 - QE MET 11 - HB3 GLU 142 lone 1 77 - 1 - Peak 4848 from aliabs.peaks (2.10, 2.10, 29.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 142 + HB3 GLU 142 OK 100 100 - 100 Peak 4849 from aliabs.peaks (2.32, 2.10, 29.77 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 142 + HB3 GLU 142 OK 100 100 - 100 - 3.0=100 HB3 GLN 47 - HB3 GLU 142 lone 6 77 - 8 - 4842/1.8=2, 4835/3.0=1 Peak 4850 from aliabs.peaks (2.27, 2.10, 29.77 ppm; 2.76 A): 2 out of 10 assignments used, quality = 0.97: * HG3 GLU 142 + HB3 GLU 142 OK 94 100 - 95 - 3.0=78, 1.8/4849=24...(22) HG2 GLU 131 + HB3 GLU 142 OK 46 100 - 46 - 4843/1.8=8, 4862=6...(21) HG2 GLU 120 - HB3 GLU 142 OK 26 89 - 29 - 1.8/4849=7, ~4842=4...(11) HG3 PRO 129 - HB3 GLU 142 OK 19 81 - 23 - 4843/1.8=3, 4836/3.0=2...(8) HG3 GLU 75 - HB3 GLU 142 OK 16 62 - 25 - 3.0/4847=4, ~2227=3...(9) HB3 MET 113 - HB3 GLU 142 OK 15 100 - 14 - 4843/1.8=3, ~3695=1...(4) HG3 GLU 120 - HB3 GLU 142 OK 12 62 - 19 - 4849=3, 4842/1.8=2...(9) HG2 GLU 90 - HB3 GLU 142 lone 3 100 - 3 - HG3 GLN 62 - HB3 GLU 142 lone 2 68 - 3 - HG2 GLN 62 - HB3 GLU 142 lone 2 72 - 3 - Peak 4853 from aliabs.peaks (4.25, 2.32, 36.46 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 142 + HG2 GLU 142 OK 100 100 - 100 - 4.0=100 HA ARG 141 + HG2 GLU 142 OK 47 81 - 58 - 3.6/7860=27, 4839/3.0=9...(9) HB THR 92 - HG2 GLU 142 OK 22 100 - 22 - 4839/3.0=5, 4846/3.0=4...(7) HA2 GLY 50 - HG2 GLU 142 lone 4 98 - 4 - HA ALA 135 - HG2 GLU 142 lone 3 72 - 4 - Peak 4854 from aliabs.peaks (1.98, 2.32, 36.46 ppm; 3.47 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 142 + HG2 GLU 142 OK 100 100 - 100 - 3.0=100 HB3 GLU 75 - HG2 GLU 142 OK 40 98 - 41 - 4861/1.8=7, 4847/3.0=6...(20) HB3 ARG 124 - HG2 GLU 142 OK 13 85 - 16 - 4861/1.8=2, 4847/3.0=2...(7) HB2 GLN 111 - HG2 GLU 142 OK 11 81 - 13 - 4861/1.8=2, 2.9/10508=2...(7) HB ILE 56 - HG2 GLU 142 lone 4 99 - 4 - QE MET 11 - HG2 GLU 142 lone 1 77 - 2 - Peak 4855 from aliabs.peaks (2.10, 2.32, 36.46 ppm; 3.23 A): 2 out of 12 assignments used, quality = 1.00: * HB3 GLU 142 + HG2 GLU 142 OK 100 100 - 100 - 3.0=100 HB2 GLU 131 + HG2 GLU 142 OK 52 85 - 62 - 4444/1.8=8, 2.9/4863=7...(31) HB2 PRO 129 - HG2 GLU 142 OK 25 89 - 29 - 4841/3.0=3, 2.3/4857=3...(15) HG2 PRO 33 - HG2 GLU 142 OK 18 100 - 18 - 4841/3.0=2, 4862/1.8=2...(4) HG3 PRO 33 - HG2 GLU 142 OK 16 92 - 17 - 4841/3.0=2, 4862/1.8=2...(5) HB3 GLN 25 - HG2 GLU 142 lone 7 99 - 7 - HB3 LYS 36 - HG2 GLU 142 lone 6 98 - 6 - HG2 PRO 118 - HG2 GLU 142 lone 2 81 - 3 - HG2 GLU 122 - HG2 GLU 142 lone 2 100 - 2 - HB3 LYS 61 - HG2 GLU 142 lone 1 77 - 1 - HD2 ARG 49 - HG2 GLU 142 lone 1 68 - 1 - HB2 LEU 26 - HG2 GLU 142 lone 1 62 - 1 - Peak 4856 from aliabs.peaks (2.32, 2.32, 36.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 142 + HG2 GLU 142 OK 100 100 - 100 Peak 4857 from aliabs.peaks (2.27, 2.32, 36.46 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLU 142 + HG2 GLU 142 OK 100 100 - 100 - 1.8=100 HG2 GLU 131 - HG2 GLU 142 OK 44 100 - 44 - 4863=11, 4850/3.0=4...(20) HG2 GLU 120 - HG2 GLU 142 OK 19 89 - 21 - 4033=5, 4850/3.0=2...(11) HG3 PRO 129 - HG2 GLU 142 OK 14 81 - 17 - 2.3/4855=2, 4850/3.0=2...(4) HB3 MET 113 - HG2 GLU 142 OK 11 100 - 11 - 4843/3.0=2, 4850/3.0=1 HG3 GLU 75 - HG2 GLU 142 OK 11 62 - 18 - 3.0/4854=3, 4843/3.0=2...(7) HG3 GLU 120 - HG2 GLU 142 poor 9 62 - 15 - 1.8/4033=4, 3.8/4009=2...(8) HG2 GLU 90 - HG2 GLU 142 lone 2 100 - 2 - HG2 GLN 62 - HG2 GLU 142 lone 2 72 - 2 - HG3 GLN 62 - HG2 GLU 142 lone 2 68 - 2 - Peak 4860 from aliabs.peaks (4.25, 2.27, 36.46 ppm; 4.21 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 142 + HG3 GLU 142 OK 100 100 - 100 - 4.0=100 HA GLU 142 + HG2 GLU 131 OK 46 66 - 69 - 4836=12, 2.9/7861=11...(18) HA ARG 141 - HG3 GLU 142 OK 41 81 - 51 - 3.6/7861=16, 4853/1.8=10...(9) HB THR 92 - HG3 GLU 142 OK 22 100 - 21 - 4853/1.8=5, 4839/3.0=4...(7) HA ALA 135 - HG2 GLU 131 poor 7 41 - 17 - ~10320=11, ~9556=4, ~9635=3 HA ARG 141 - HG2 GLU 131 poor 7 47 - 14 - 3.6/7861=10, 4839/4843=1 HA2 GLY 50 - HG3 GLU 142 lone 4 98 - 4 - HB THR 92 - HG2 GLU 131 lone 2 65 - 3 - HA ALA 135 - HG3 GLU 142 lone 2 72 - 2 - HA2 GLY 50 - HG2 GLU 131 lone 1 62 - 1 - Peak 4861 from aliabs.peaks (1.98, 2.27, 36.46 ppm; 3.11 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 142 + HG3 GLU 142 OK 100 100 - 100 - 3.0=100 HB2 GLU 142 - HG2 GLU 131 OK 39 66 - 59 - 4843=12, 1.8/4850=10...(27) HB3 GLU 75 - HG3 GLU 142 OK 34 98 - 35 - 4854/1.8=7, 4847/3.0=5...(14) HB3 ARG 124 - HG3 GLU 142 OK 11 85 - 13 - 4854/1.8=2, 4847/3.0=2...(4) HB2 GLN 111 - HG3 GLU 142 lone 8 81 - 10 - 4854/1.8=2, 4847/3.0=1 HB3 GLU 75 - HG2 GLU 131 lone 3 62 - 6 - HB ILE 56 - HG3 GLU 142 lone 3 99 - 3 - HB3 ARG 124 - HG2 GLU 131 lone 1 50 - 3 - QE MET 11 - HG3 GLU 142 lone 1 77 - 1 - HB ILE 56 - HG2 GLU 131 lone 1 63 - 2 - QE MET 11 - HG2 GLU 131 lone 1 44 - 2 - HB2 GLN 111 - HG2 GLU 131 lone 1 47 - 1 - Peak 4862 from aliabs.peaks (2.10, 2.27, 36.46 ppm; 2.86 A): 2 out of 24 assignments used, quality = 0.98: * HB3 GLU 142 + HG3 GLU 142 OK 97 100 - 97 - 3.0=87, 4849/1.8=25...(22) HB2 GLU 131 + HG2 GLU 131 OK 48 50 - 97 - 2.9=94, 1.8/4457=9...(15) HB2 GLU 131 - HG3 GLU 142 OK 45 85 - 53 - 4444=9, 4855/1.8=7...(23) HB3 GLU 142 - HG2 GLU 131 OK 34 66 - 52 - 4850=11, 1.8/4843=8...(24) HB2 PRO 129 - HG2 GLU 131 OK 22 53 - 41 - 4463/1.8=4, 4449/2.9=3...(24) HB2 PRO 129 - HG3 GLU 142 OK 21 89 - 24 - 4855/1.8=3, 4841/3.0=2...(9) HG2 PRO 33 - HG3 GLU 142 OK 14 100 - 14 - 4855/1.8=2, 4841/3.0=2...(4) HG2 PRO 33 - HG2 GLU 131 OK 14 65 - 22 - 468/1.8=3, ~476=2...(8) HG3 PRO 33 - HG3 GLU 142 OK 13 92 - 14 - 4855/1.8=2, 4841/3.0=2...(4) HG3 PRO 33 - HG2 GLU 131 OK 12 55 - 21 - 476/1.8=3, 4449/2.9=2...(6) HB3 LYS 61 - HG2 GLU 131 poor 7 44 - 15 - 4443/2.9=2, 4445/1.8=2...(6) HB3 GLN 25 - HG3 GLU 142 lone 6 99 - 6 - HB3 LYS 36 - HG3 GLU 142 lone 5 98 - 6 - HG2 GLU 122 - HG2 GLU 131 lone 4 65 - 7 - ~9556=1 HB2 LEU 26 - HG2 GLU 131 lone 2 34 - 7 - ~10568=2 HB3 LYS 36 - HG2 GLU 131 lone 2 62 - 3 - HG2 PRO 118 - HG3 GLU 142 lone 2 81 - 2 - HB3 GLN 25 - HG2 GLU 131 lone 2 63 - 3 - HB3 LYS 61 - HG3 GLU 142 lone 2 77 - 2 - HG2 GLU 122 - HG3 GLU 142 lone 1 100 - 1 - HG2 PRO 118 - HG2 GLU 131 lone 1 47 - 3 - HD2 ARG 49 - HG2 GLU 131 lone 1 37 - 2 - HD2 ARG 49 - HG3 GLU 142 lone 1 68 - 1 - HB2 LEU 26 - HG3 GLU 142 lone 1 62 - 1 - Peak 4863 from aliabs.peaks (2.32, 2.27, 36.46 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 142 + HG3 GLU 142 OK 100 100 - 100 - 1.8=100 HG2 GLU 142 - HG2 GLU 131 OK 29 66 - 44 - 4857=11, 3.0/4850=4...(20) HB3 GLN 47 - HG3 GLU 142 lone 4 77 - 5 - 4842/3.0=1, 4849/3.0=1 HB3 GLN 47 - HG2 GLU 131 lone 0 44 - 1 - Peak 4864 from aliabs.peaks (2.27, 2.27, 36.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 142 + HG3 GLU 142 OK 100 100 - 100 HG2 GLU 131 + HG2 GLU 131 OK 66 66 - 100 Peak 4867 from aliabs.peaks (3.92, 3.92, 45.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 143 + HA2 GLY 143 OK 100 100 - 100 Peak 4868 from aliabs.peaks (3.96, 3.92, 45.14 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HA3 GLY 143 + HA2 GLY 143 OK 100 100 - 100 - 1.8=100 HD3 PRO 129 - HA2 GLY 143 OK 22 62 - 35 - 2.3/4396=4, ~4871=4...(15) HA LYS 86 - HA2 GLY 143 lone 5 68 - 7 - HA LYS 48 - HA2 GLY 143 lone 5 100 - 5 - 4.8/8198=2 HA PHE 106 - HA2 GLY 143 lone 1 94 - 1 - HB3 SER 103 - HA2 GLY 143 lone 1 100 - 1 - HA ALA 60 - HA2 GLY 143 lone 0 99 - 0 - HA3 GLY 94 - HA2 GLY 143 lone 0 99 - 0 - Peak 4871 from aliabs.peaks (3.92, 3.96, 45.14 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 143 + HA3 GLY 143 OK 100 100 - 100 - 1.8=100 HD2 PRO 129 - HA3 GLY 143 OK 37 100 - 37 - 4357/1.8=5, ~4364=4...(21) HA TYR 112 - HA3 GLY 143 lone 0 99 - 0 - HA MET 46 - HA3 GLY 143 lone 0 72 - 0 - Peak 4872 from aliabs.peaks (3.96, 3.96, 45.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 143 + HA3 GLY 143 OK 100 100 - 100 Peak 4875 from aliabs.peaks (4.37, 4.37, 55.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 144 + HA ARG 144 OK 100 100 - 100 Peak 4876 from aliabs.peaks (1.87, 4.37, 55.57 ppm; 2.71 A): 2 out of 9 assignments used, quality = 0.95: * HB2 ARG 144 + HA ARG 144 OK 93 100 - 93 - 3.0=75, 1.8/4877=13...(30) HB2 LYS 48 + HA ARG 144 OK 28 100 - 28 - 4894/3.0=4, 4912/3.9=3...(8) HB3 LYS 48 - HA ARG 144 OK 28 100 - 28 - 4894/3.0=4, 4912/3.9=3...(8) HB2 LYS 36 - HA ARG 144 OK 27 100 - 27 - 4894/3.0=3, 3.6/4877=2...(11) HB3 LYS 85 - HA ARG 144 lone 8 96 - 8 - 4894/3.0=1, 1.8/4877=1 HB3 LYS 76 - HA ARG 144 lone 2 72 - 3 - HG LEU 69 - HA ARG 144 lone 2 77 - 2 - HB3 LEU 126 - HA ARG 144 lone 1 81 - 1 - HB3 GLU 28 - HA ARG 144 lone 1 68 - 1 - Peak 4877 from aliabs.peaks (1.73, 4.37, 55.57 ppm; 2.96 A): 1 out of 10 assignments used, quality = 0.99: * HB3 ARG 144 + HA ARG 144 OK 99 100 - 99 - 3.0=97, 1.8/4876=19...(31) HD2 LYS 36 - HA ARG 144 OK 34 100 - 35 - 4886/3.0=4, 10516=3...(15) HB3 GLU 81 - HA ARG 144 OK 23 100 - 24 - 3.0/8768=3, 3.0/8773=3...(8) HB2 ARG 49 - HA ARG 144 OK 22 81 - 27 - 4886/3.0=3, 4913/3.9=2...(10) HB2 GLU 81 - HA ARG 144 OK 21 89 - 23 - 3.0/8768=3, 3.0/8773=3...(9) HB ILE 58 - HA ARG 144 OK 19 100 - 19 - 3.9/4874=4, 1553/3.0=3...(7) HB2 LYS 85 - HA ARG 144 lone 8 81 - 10 - 1.8/4876=2, 4886/3.0=1 HB3 ARG 109 - HA ARG 144 lone 7 92 - 7 - 7889/3.6=3 HG3 ARG 89 - HA ARG 144 lone 4 98 - 4 - HG3 ARG 140 - HA ARG 144 lone 4 85 - 5 - Peak 4878 from aliabs.peaks (1.60, 4.37, 55.57 ppm; 2.75 A): 2 out of 10 assignments used, quality = 0.94: * HG2 ARG 144 + HA ARG 144 OK 86 100 - 87 - 3.9=34, 1.8/4911=18...(42) HG3 ARG 144 + HA ARG 144 OK 57 68 - 84 - 3.9=34, 1.8/4902=17...(42) HG2 ARG 141 - HA ARG 144 OK 17 99 - 17 - 4902=5, 4896/3.0=2...(5) HG3 LYS 48 - HA ARG 144 OK 16 77 - 21 - 2.9/4876=3, 2.9/4876=3...(5) HG3 ARG 49 - HA ARG 144 OK 12 77 - 15 - 3.0/4877=2, 4887/3.0=2...(4) HB2 LEU 97 - HA ARG 144 lone 4 100 - 4 - 3.1/11427=1 HG LEU 108 - HA ARG 144 lone 2 98 - 2 - HB2 LEU 79 - HA ARG 144 lone 2 94 - 2 - HD2 LYS 61 - HA ARG 144 lone 1 96 - 1 - HD3 LYS 61 - HA ARG 144 lone 1 94 - 1 - Peak 4879 from aliabs.peaks (1.62, 4.37, 55.57 ppm; 2.65 A): 4 out of 11 assignments used, quality = 0.95: * HG3 ARG 144 + HA ARG 144 OK 83 100 - 83 - 3.9=31, 1.8/4902=15...(41) HG2 ARG 144 + HA ARG 144 OK 56 68 - 83 - 3.9=31, 1.8/4911=17...(41) HG3 LYS 48 + HA ARG 144 OK 21 100 - 21 - 2.9/4876=3, 2.9/4876=3...(6) HG3 ARG 49 + HA ARG 144 OK 17 100 - 17 - 1276/3.0=2, 4888/3.0=2...(5) HG2 ARG 141 - HA ARG 144 poor 9 85 - 11 - 4902=2, 4897/3.0=2...(4) HB2 LEU 87 - HA ARG 144 lone 4 99 - 4 - HB2 LEU 97 - HA ARG 144 lone 3 81 - 3 - 3.1/11427=1 HB3 LEU 64 - HA ARG 144 lone 2 77 - 3 - 4.4/6628=1 HG LEU 108 - HA ARG 144 lone 2 89 - 2 - HG3 LYS 34 - HA ARG 144 lone 1 77 - 1 - HD2 LYS 24 - HA ARG 144 lone 1 77 - 1 - Peak 4880 from aliabs.peaks (3.18, 4.37, 55.57 ppm; 3.41 A): 2 out of 4 assignments used, quality = 0.99: * HD2 ARG 144 + HA ARG 144 OK 93 100 - 93 - 5.2=29, 3.0/4911=20...(43) HD3 ARG 144 + HA ARG 144 OK 91 98 - 93 - 5.2=29, 3.0/4911=20...(43) HD3 ARG 55 - HA ARG 144 OK 27 77 - 35 - 4889/3.0=4, 4898/3.0=4...(20) HA LEU 39 - HA ARG 144 lone 1 62 - 1 - Peak 4881 from aliabs.peaks (3.19, 4.37, 55.57 ppm; 3.41 A): 2 out of 7 assignments used, quality = 0.99: * HD3 ARG 144 + HA ARG 144 OK 93 100 - 93 - 5.2=29, 3.0/4911=20...(43) HD2 ARG 144 + HA ARG 144 OK 91 98 - 93 - 5.2=29, 3.0/4911=20...(43) HD3 ARG 55 - HA ARG 144 OK 33 94 - 35 - 4889/3.0=4, 4898/3.0=4...(20) HD2 ARG 55 - HA ARG 144 OK 28 77 - 36 - 4890/3.0=3, 4899/3.0=3...(22) HD2 ARG 141 - HA ARG 144 OK 16 72 - 22 - 3.0/4902=3, 4899/3.0=2...(8) HA VAL 73 - HA ARG 144 OK 11 81 - 14 - 3.0/4882=3, 4889/3.0=1...(6) HA LEU 39 - HA ARG 144 lone 1 85 - 1 - Peak 4884 from aliabs.peaks (4.37, 1.87, 30.76 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB2 ARG 144 OK 32 89 - 36 - 4893/1.8=6, 4.0/4891=5...(15) HA3 GLY 77 - HB2 ARG 144 OK 24 100 - 24 - 4893/1.8=5, 4911/3.0=3...(10) HA ASP 65 - HB2 ARG 144 OK 22 98 - 22 - 8385/1.8=6, 4911/3.0=3...(12) HA ASN 96 - HB2 ARG 144 lone 6 92 - 6 - 4893/1.8=1 Peak 4885 from aliabs.peaks (1.87, 1.87, 30.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 144 + HB2 ARG 144 OK 100 100 - 100 Peak 4886 from aliabs.peaks (1.73, 1.87, 30.76 ppm; 2.69 A): 1 out of 10 assignments used, quality = 1.00: * HB3 ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 1.8=100 HD2 LYS 36 - HB2 ARG 144 OK 40 100 - 40 - 707=5, 1.8/718=5...(18) HB3 GLU 81 - HB2 ARG 144 OK 24 100 - 24 - 707=3, 4877/3.0=2...(5) HB2 ARG 49 - HB2 ARG 144 OK 24 81 - 30 - 4913/3.0=3, 3.0/4888=2...(13) HB2 GLU 81 - HB2 ARG 144 OK 21 89 - 24 - 707=2, 4877/3.0=2...(4) HB ILE 58 - HB2 ARG 144 OK 14 100 - 14 - 3.9/4883=4, 1553/4.0=2...(5) HB2 LYS 85 - HB2 ARG 144 OK 10 81 - 12 - HB3 ARG 109 - HB2 ARG 144 lone 6 92 - 7 - 7889/4.3=2 HG3 ARG 140 - HB2 ARG 144 lone 5 85 - 6 - HG3 ARG 89 - HB2 ARG 144 lone 5 98 - 5 - Peak 4887 from aliabs.peaks (1.60, 1.87, 30.76 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HB2 ARG 144 OK 68 68 - 100 - 3.0=100 HG2 ARG 141 - HB2 ARG 144 OK 37 99 - 38 - 4896/1.8=5, 4903=4...(15) HG3 LYS 48 - HB2 ARG 144 OK 31 77 - 40 - 1.8/1174=4, 4896/1.8=4...(18) HG3 ARG 49 - HB2 ARG 144 OK 27 77 - 36 - 1276/1.8=3, 3.0/4886=3...(23) HB2 LEU 97 - HB2 ARG 144 lone 9 100 - 9 - 4896/1.8=1 HG LEU 108 - HB2 ARG 144 lone 7 98 - 8 - HB2 LEU 79 - HB2 ARG 144 lone 4 94 - 5 - HD2 LYS 61 - HB2 ARG 144 lone 2 96 - 2 - HD3 LYS 61 - HB2 ARG 144 lone 2 94 - 2 - Peak 4888 from aliabs.peaks (1.62, 1.87, 30.76 ppm; 3.05 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 3.0=100 HG2 ARG 144 + HB2 ARG 144 OK 68 68 - 100 - 3.0=100 HG3 LYS 48 - HB2 ARG 144 OK 40 100 - 40 - 1185=5, 4897/1.8=5...(18) HG3 ARG 49 - HB2 ARG 144 OK 35 100 - 35 - 1276/1.8=5, 3.0/4886=3...(19) HG2 ARG 141 - HB2 ARG 144 OK 25 85 - 29 - 4897/1.8=3, 4903=2...(8) HB2 LEU 87 - HB2 ARG 144 OK 11 99 - 11 - 4897/1.8=1, 3.2/8891=1, ~10061=1 HB2 LEU 97 - HB2 ARG 144 lone 6 81 - 7 - HG LEU 108 - HB2 ARG 144 lone 6 89 - 7 - HB3 LEU 64 - HB2 ARG 144 lone 4 77 - 6 - HG3 LYS 34 - HB2 ARG 144 lone 1 77 - 2 - HD2 LYS 24 - HB2 ARG 144 lone 1 77 - 2 - Peak 4889 from aliabs.peaks (3.18, 1.87, 30.76 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 4.0=83, 3.0/4912=18...(58) HD3 ARG 144 + HB2 ARG 144 OK 98 98 - 100 - 4.0=83, 3.0/4912=18...(56) HD3 ARG 55 - HB2 ARG 144 OK 41 77 - 53 - 4898/1.8=6, ~4898=5...(29) HA LEU 39 - HB2 ARG 144 lone 1 62 - 1 - Peak 4890 from aliabs.peaks (3.19, 1.87, 30.76 ppm; 3.72 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 144 + HB2 ARG 144 OK 100 100 - 100 - 4.0=83, 3.0/4912=18...(56) HD2 ARG 144 + HB2 ARG 144 OK 98 98 - 100 - 4.0=83, 3.0/4912=18...(58) HD3 ARG 55 + HB2 ARG 144 OK 51 94 - 54 - 4898/1.8=6, ~4898=5...(29) HD2 ARG 55 - HB2 ARG 144 OK 44 77 - 57 - 4899/1.8=5, ~4898=4...(34) HD2 ARG 141 - HB2 ARG 144 OK 29 72 - 39 - 3.0/4887=4, 4899/1.8=3...(26) HA VAL 73 - HB2 ARG 144 OK 17 81 - 21 - 3.0/4891=4, ~4900=2...(12) HA LEU 39 - HB2 ARG 144 lone 1 85 - 2 - Peak 4893 from aliabs.peaks (4.37, 1.73, 30.76 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 3.0=100 HB THR 51 - HB3 ARG 144 OK 33 89 - 38 - 4884/1.8=6, 4911/3.0=5...(15) HA ASP 65 - HB3 ARG 144 OK 27 98 - 27 - 8385=6, 4884/1.8=4...(13) HA3 GLY 77 - HB3 ARG 144 OK 27 100 - 27 - 4884/1.8=5, 1.8/8685=3...(11) HA ASN 96 - HB3 ARG 144 lone 6 92 - 6 - 4884/1.8=1 Peak 4894 from aliabs.peaks (1.87, 1.73, 30.76 ppm; 2.54 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 1.8=100 HB2 LYS 48 - HB3 ARG 144 OK 38 100 - 38 - 4912/3.0=4, 4876/3.0=3...(13) HB3 LYS 48 - HB3 ARG 144 OK 37 100 - 38 - 4912/3.0=4, 4876/3.0=3...(13) HB2 LYS 36 - HB3 ARG 144 OK 34 100 - 34 - 667=3, 4876/3.0=3...(16) HB3 LYS 85 - HB3 ARG 144 OK 10 96 - 11 - HB3 LYS 76 - HB3 ARG 144 lone 2 72 - 3 - HG LEU 69 - HB3 ARG 144 lone 2 77 - 3 - HB3 LEU 126 - HB3 ARG 144 lone 1 81 - 1 - HB3 GLU 28 - HB3 ARG 144 lone 1 68 - 1 - Peak 4895 from aliabs.peaks (1.73, 1.73, 30.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 144 + HB3 ARG 144 OK 100 100 - 100 Peak 4896 from aliabs.peaks (1.60, 1.73, 30.76 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 3.0=100 HG3 ARG 144 + HB3 ARG 144 OK 68 68 - 100 - 3.0=100 HG2 ARG 141 - HB3 ARG 144 OK 34 99 - 34 - 4904=4, 4887/1.8=4...(12) HG3 LYS 48 - HB3 ARG 144 OK 30 77 - 39 - 2.9/4894=5, 2.9/4894=5...(14) HG3 ARG 49 - HB3 ARG 144 OK 23 77 - 30 - 4887/1.8=3, 1276=3...(14) HB2 LEU 97 - HB3 ARG 144 lone 9 100 - 8 - 4887/1.8=1 HG LEU 108 - HB3 ARG 144 lone 7 98 - 7 - HB2 LEU 79 - HB3 ARG 144 lone 4 94 - 4 - HD2 LYS 61 - HB3 ARG 144 lone 2 96 - 2 - HD3 LYS 61 - HB3 ARG 144 lone 2 94 - 2 - Peak 4897 from aliabs.peaks (1.62, 1.73, 30.76 ppm; 2.85 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 144 + HB3 ARG 144 OK 99 100 - 99 - 3.0=91, 4912/1.8=17...(58) HG2 ARG 144 + HB3 ARG 144 OK 67 68 - 99 - 3.0=91, 1.8/4913=20...(58) HG3 LYS 48 - HB3 ARG 144 OK 37 100 - 37 - 2.9/4894=4, 2.9/4894=4...(14) HG3 ARG 49 - HB3 ARG 144 OK 31 100 - 31 - 1276=4, 4888/1.8=4...(14) HG2 ARG 141 - HB3 ARG 144 OK 22 85 - 26 - 4888/1.8=3, 4904=2...(8) HB2 LEU 87 - HB3 ARG 144 lone 9 99 - 9 - 3.2/10061=2, 4888/1.8=1 HB2 LEU 97 - HB3 ARG 144 lone 5 81 - 7 - HG LEU 108 - HB3 ARG 144 lone 5 89 - 6 - HB3 LEU 64 - HB3 ARG 144 lone 4 77 - 5 - HG3 LYS 34 - HB3 ARG 144 lone 1 77 - 1 - HD2 LYS 24 - HB3 ARG 144 lone 1 77 - 1 - Peak 4898 from aliabs.peaks (3.18, 1.73, 30.76 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 4.0=88, 3.0/4913=21...(56) HD3 ARG 144 + HB3 ARG 144 OK 98 98 - 100 - 4.0=88, 3.0/4913=21...(54) HD3 ARG 55 - HB3 ARG 144 OK 42 77 - 55 - 4889/1.8=7, ~4889=5...(29) HA LEU 39 - HB3 ARG 144 lone 1 62 - 1 - Peak 4899 from aliabs.peaks (3.19, 1.73, 30.76 ppm; 3.79 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 144 + HB3 ARG 144 OK 100 100 - 100 - 4.0=88, 3.0/4913=21...(54) HD2 ARG 144 + HB3 ARG 144 OK 98 98 - 100 - 4.0=88, 3.0/4913=21...(56) HD3 ARG 55 + HB3 ARG 144 OK 52 94 - 55 - 4889/1.8=6, ~4889=5...(29) HD2 ARG 55 - HB3 ARG 144 OK 45 77 - 58 - 4890/1.8=5, ~4889=4...(34) HD2 ARG 141 - HB3 ARG 144 OK 30 72 - 42 - 3.0/4896=4, 4890/1.8=3...(29) HA VAL 73 - HB3 ARG 144 OK 17 81 - 21 - 3.0/4900=4, ~4891=3...(12) HA LEU 39 - HB3 ARG 144 lone 1 85 - 2 - Peak 4902 from aliabs.peaks (4.37, 1.60, 27.30 ppm; 3.30 A): 1 out of 10 assignments used, quality = 0.96: * HA ARG 144 + HG2 ARG 144 OK 96 100 - 96 - 3.9=59, 4879/1.8=18...(43) HB THR 51 - HG2 ARG 144 OK 22 89 - 25 - ~8226=4, 4884/3.0=4...(10) HA ARG 144 - HG2 ARG 141 OK 22 96 - 23 - 4878=4, 3.0/4896=3...(6) HA3 GLY 77 - HG2 ARG 144 OK 13 100 - 13 - 4893/3.0=3, 4884/3.0=3...(4) HA ASP 65 - HG2 ARG 144 OK 12 98 - 12 - 8385/3.0=4, 4884/3.0=3, ~6624=1 HA ASP 65 - HG2 ARG 141 lone 8 92 - 9 - ~11481=1, 10819/1.8=1, ~9887=1 HA ASN 96 - HG2 ARG 141 lone 8 84 - 9 - 3.6/7156=3, 9085/3.8=3 HA ASN 96 - HG2 ARG 144 lone 4 92 - 4 - HB THR 51 - HG2 ARG 141 lone 2 81 - 2 - HA3 GLY 77 - HG2 ARG 141 lone 1 95 - 1 - Peak 4903 from aliabs.peaks (1.87, 1.60, 27.30 ppm; 2.55 A): 2 out of 18 assignments used, quality = 0.96: * HB2 ARG 144 + HG2 ARG 144 OK 94 100 - 94 - 3.0=65, 4888/1.8=12...(49) HB2 LYS 48 + HG2 ARG 144 OK 36 100 - 37 - 4894/3.0=3, 1154=2...(14) HB3 LYS 48 - HG2 ARG 144 OK 36 100 - 37 - 4894/3.0=3, 2.9/1177=2...(14) HB2 LYS 36 - HG2 ARG 144 OK 29 100 - 30 - 4894/3.0=3, 3.0/688=2...(13) HB2 LYS 48 - HG2 ARG 141 OK 25 94 - 27 - 2.9/1177=2, 1154=2...(9) HB2 LYS 36 - HG2 ARG 141 OK 24 94 - 26 - 668/2.8=2, ~679=2...(10) HB3 LYS 48 - HG2 ARG 141 OK 23 94 - 25 - 2.9/1177=2, 668/2.8=2...(7) HB2 ARG 144 - HG2 ARG 141 OK 23 96 - 24 - 4887=4, 1.8/4896=3...(6) HB3 LYS 85 - HG2 ARG 144 lone 8 96 - 8 - HB3 LYS 85 - HG2 ARG 141 lone 3 90 - 3 - HG LEU 69 - HG2 ARG 144 lone 2 77 - 3 - HB3 LYS 76 - HG2 ARG 144 lone 2 72 - 3 - HB3 LEU 126 - HG2 ARG 144 lone 1 81 - 1 - HB3 LEU 126 - HG2 ARG 141 lone 1 74 - 1 - HB3 GLU 28 - HG2 ARG 144 lone 1 68 - 1 - HG LEU 69 - HG2 ARG 141 lone 1 70 - 1 - HB3 LYS 76 - HG2 ARG 141 lone 1 65 - 1 - HB3 GLU 28 - HG2 ARG 141 lone 0 60 - 0 - Peak 4904 from aliabs.peaks (1.73, 1.60, 27.30 ppm; 2.50 A): 2 out of 20 assignments used, quality = 0.94: * HB3 ARG 144 + HG2 ARG 144 OK 92 100 - 92 - 3.0=61, 4897/1.8=12...(48) HG3 ARG 140 + HG2 ARG 141 OK 29 78 - 38 - 2.9/4798=3, 4744/2.8=3...(13) HD2 LYS 36 - HG2 ARG 144 OK 28 100 - 28 - 4886/3.0=3, 1.8/4797=3...(9) HD2 LYS 36 - HG2 ARG 141 OK 27 95 - 28 - 1.8/4797=3, 712/2.8=2...(8) HB3 ARG 144 - HG2 ARG 141 OK 23 96 - 24 - 4896=4, 1.8/4887=3...(5) HB2 ARG 49 - HG2 ARG 144 OK 21 81 - 26 - 1252/1.8=2, 4886/3.0=2...(8) HB3 GLU 81 - HG2 ARG 144 OK 12 100 - 12 - 4886/3.0=2, 4877/3.9=1 HB2 GLU 81 - HG2 ARG 144 OK 10 89 - 12 - 4886/3.0=2, 4877/3.9=1 HB ILE 58 - HG2 ARG 144 lone 10 100 - 10 - 3.9/4901=2, 1553/4.9=1 HB2 LYS 85 - HG2 ARG 144 lone 7 81 - 8 - HG3 ARG 89 - HG2 ARG 141 lone 4 92 - 5 - HG3 ARG 140 - HG2 ARG 144 lone 4 85 - 4 - HB3 ARG 109 - HG2 ARG 144 lone 4 92 - 4 - HB2 ARG 49 - HG2 ARG 141 lone 3 74 - 4 - HG3 ARG 89 - HG2 ARG 144 lone 3 98 - 3 - HB3 GLU 81 - HG2 ARG 141 lone 2 94 - 2 - HB2 LYS 85 - HG2 ARG 141 lone 2 74 - 2 - HB2 GLU 81 - HG2 ARG 141 lone 2 81 - 2 - HB ILE 58 - HG2 ARG 141 lone 1 95 - 1 - HB3 ARG 109 - HG2 ARG 141 lone 1 84 - 1 - Peak 4905 from aliabs.peaks (1.60, 1.60, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 144 + HG2 ARG 144 OK 100 100 - 100 HG2 ARG 141 + HG2 ARG 141 OK 93 93 - 100 Peak 4906 from aliabs.peaks (1.62, 1.60, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: HG2 ARG 141 + HG2 ARG 141 OK 78 78 - 100 HG2 ARG 144 + HG2 ARG 144 OK 68 68 - 100 Reference assignment not found: HG3 ARG 144 - HG2 ARG 144 Peak 4907 from aliabs.peaks (3.18, 1.60, 27.30 ppm; 2.54 A): 2 out of 8 assignments used, quality = 0.98: * HD2 ARG 144 + HG2 ARG 144 OK 87 100 - 87 - 3.0=63, 4924/1.8=6...(44) HD3 ARG 144 + HG2 ARG 144 OK 85 98 - 87 - 3.0=63, 1.8/4923=6...(44) HD2 ARG 144 - HG2 ARG 141 OK 17 96 - 18 - 4923=2, 1.8/4932=1...(6) HD3 ARG 55 - HG2 ARG 144 OK 17 77 - 22 - 4889/3.0=2, 4898/3.0=2...(10) HD3 ARG 144 - HG2 ARG 141 OK 15 92 - 17 - 4932=2, 1.8/4923=2...(5) HD3 ARG 55 - HG2 ARG 141 lone 4 70 - 6 - HA LEU 39 - HG2 ARG 144 lone 0 62 - 0 - HA LEU 39 - HG2 ARG 141 lone 0 56 - 0 - Peak 4908 from aliabs.peaks (3.19, 1.60, 27.30 ppm; 2.54 A): 3 out of 14 assignments used, quality = 0.99: * HD3 ARG 144 + HG2 ARG 144 OK 87 100 - 87 - 3.0=63, 4933/1.8=6...(44) HD2 ARG 144 + HG2 ARG 144 OK 85 98 - 87 - 3.0=63, 4924/1.8=6...(44) HD2 ARG 141 + HG2 ARG 141 OK 56 65 - 86 - 3.0=61, 4810/1.8=8...(34) HD3 ARG 55 - HG2 ARG 144 OK 21 94 - 22 - 4889/3.0=2, 4898/3.0=2...(10) HD2 ARG 55 - HG2 ARG 144 OK 17 77 - 23 - 4889/3.0=2, 4899/3.0=2...(13) HD3 ARG 144 - HG2 ARG 141 OK 17 96 - 18 - 4932=2, 1.8/4923=2...(6) HD2 ARG 144 - HG2 ARG 141 OK 17 92 - 18 - 4923=2, 1.8/4932=1...(6) HD2 ARG 141 - HG2 ARG 144 OK 16 72 - 23 - 3.0/4808=3, 1.8/4826=2...(7) HA VAL 73 - HG2 ARG 144 lone 7 81 - 8 - 3.0/4909=1 HD3 ARG 55 - HG2 ARG 141 lone 6 87 - 6 - HD2 ARG 55 - HG2 ARG 141 lone 4 70 - 6 - HA VAL 73 - HG2 ARG 141 lone 2 74 - 2 - HA LEU 39 - HG2 ARG 141 lone 0 78 - 0 - HA LEU 39 - HG2 ARG 144 lone 0 85 - 0 - Peak 4911 from aliabs.peaks (4.37, 1.62, 27.30 ppm; 3.29 A): 1 out of 5 assignments used, quality = 0.96: * HA ARG 144 + HG3 ARG 144 OK 96 100 - 96 - 3.9=59, 4878/1.8=18...(42) HB THR 51 - HG3 ARG 144 OK 23 89 - 26 - 4.0/8221=6, 2.1/8226=5...(9) HA3 GLY 77 - HG3 ARG 144 OK 14 100 - 14 - 4893/3.0=3, 4884/3.0=3...(4) HA ASP 65 - HG3 ARG 144 OK 13 98 - 13 - 8385/3.0=4, 4884/3.0=3 HA ASN 96 - HG3 ARG 144 lone 4 92 - 4 - Peak 4912 from aliabs.peaks (1.87, 1.62, 27.30 ppm; 2.54 A): 2 out of 9 assignments used, quality = 0.96: * HB2 ARG 144 + HG3 ARG 144 OK 93 100 - 93 - 3.0=64, 1.8/4913=17...(48) HB2 LYS 48 + HG3 ARG 144 OK 36 100 - 36 - 4894/3.0=3, 2.9/1177=3...(11) HB3 LYS 48 - HG3 ARG 144 OK 36 100 - 36 - 4894/3.0=3, 2.9/1177=3...(11) HB2 LYS 36 - HG3 ARG 144 OK 26 100 - 26 - 4894/3.0=3, 3.6/4913=2...(10) HB3 LYS 85 - HG3 ARG 144 lone 8 96 - 8 - 1.8/4913=1 HG LEU 69 - HG3 ARG 144 lone 2 77 - 3 - HB3 LYS 76 - HG3 ARG 144 lone 2 72 - 3 - HB3 LEU 126 - HG3 ARG 144 lone 1 81 - 2 - HB3 GLU 28 - HG3 ARG 144 lone 1 68 - 1 - Peak 4913 from aliabs.peaks (1.73, 1.62, 27.30 ppm; 2.50 A): 2 out of 10 assignments used, quality = 0.94: * HB3 ARG 144 + HG3 ARG 144 OK 92 100 - 92 - 3.0=61, 1.8/4912=14...(48) HD2 LYS 36 + HG3 ARG 144 OK 27 100 - 27 - 4886/3.0=3, 710/1.8=2...(9) HB2 ARG 49 - HG3 ARG 144 OK 23 81 - 29 - 1252=3, 1.8/1261=2...(12) HB3 GLU 81 - HG3 ARG 144 OK 11 100 - 11 - 4886/3.0=2, 4877/3.9=1 HB ILE 58 - HG3 ARG 144 OK 11 100 - 11 - 3.9/4910=3, 2.1/9863=1...(4) HB2 GLU 81 - HG3 ARG 144 OK 10 89 - 11 - 4886/3.0=2, 4877/3.9=1 HB2 LYS 85 - HG3 ARG 144 lone 7 81 - 8 - 1.8/4912=1 HG3 ARG 140 - HG3 ARG 144 lone 4 85 - 4 - HB3 ARG 109 - HG3 ARG 144 lone 3 92 - 4 - HG3 ARG 89 - HG3 ARG 144 lone 3 98 - 3 - Peak 4914 from aliabs.peaks (1.60, 1.62, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG3 ARG 144 + HG3 ARG 144 OK 68 68 - 100 Reference assignment not found: HG2 ARG 144 - HG3 ARG 144 Peak 4915 from aliabs.peaks (1.62, 1.62, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 144 + HG3 ARG 144 OK 100 100 - 100 Peak 4916 from aliabs.peaks (3.18, 1.62, 27.30 ppm; 2.53 A): 2 out of 4 assignments used, quality = 0.98: * HD2 ARG 144 + HG3 ARG 144 OK 87 100 - 87 - 3.0=63, 4.0/4913=6...(44) HD3 ARG 144 + HG3 ARG 144 OK 85 98 - 87 - 3.0=63, 4.0/4913=6...(44) HD3 ARG 55 - HG3 ARG 144 OK 17 77 - 22 - 4889/3.0=2, 4898/3.0=2...(10) HA LEU 39 - HG3 ARG 144 lone 0 62 - 0 - Peak 4917 from aliabs.peaks (3.19, 1.62, 27.30 ppm; 2.53 A): 2 out of 7 assignments used, quality = 0.98: * HD3 ARG 144 + HG3 ARG 144 OK 87 100 - 87 - 3.0=63, 4.0/4913=6...(44) HD2 ARG 144 + HG3 ARG 144 OK 85 98 - 87 - 3.0=63, 4.0/4913=6...(44) HD3 ARG 55 - HG3 ARG 144 OK 21 94 - 23 - 4889/3.0=2, 4924=2...(10) HD2 ARG 55 - HG3 ARG 144 OK 18 77 - 23 - 4889/3.0=2, 4899/3.0=2...(13) HD2 ARG 141 - HG3 ARG 144 OK 15 72 - 21 - 3.0/4808=2, 1.8/4826=1...(6) HA VAL 73 - HG3 ARG 144 lone 7 81 - 9 - 3.0/4918=2 HA LEU 39 - HG3 ARG 144 lone 0 85 - 0 - Peak 4920 from aliabs.peaks (4.37, 3.18, 43.40 ppm; 4.61 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 144 + HD2 ARG 144 OK 100 100 - 100 - 5.2=72, 4911/3.0=30...(43) HA ARG 144 + HD3 ARG 144 OK 92 92 - 100 - 5.2=72, 4911/3.0=30...(43) HB THR 51 - HD2 ARG 144 OK 35 89 - 39 - ~8226=7, 4911/3.0=7...(9) HB THR 51 - HD3 ARG 144 OK 29 77 - 38 - ~8226=7, 4911/3.0=7...(9) HA ASP 65 - HD2 ARG 144 OK 20 98 - 20 - 8385/4.0=6, 4884/4.0=4...(6) HA ASP 65 - HD3 ARG 144 OK 18 87 - 20 - 8385/4.0=6, 4884/4.0=4...(6) HA3 GLY 77 - HD2 ARG 144 OK 17 100 - 17 - 4893/4.0=5, 4884/4.0=4...(4) HA3 GLY 77 - HD3 ARG 144 OK 16 91 - 17 - 4893/4.0=5, 4884/4.0=4...(4) HA ASN 96 - HD2 ARG 144 lone 5 92 - 5 - 4911/3.0=1, 4884/4.0=1 HA ASN 96 - HD3 ARG 144 lone 4 80 - 5 - 4911/3.0=1, 4884/4.0=1 Peak 4921 from aliabs.peaks (1.87, 3.18, 43.40 ppm; 3.26 A): 2 out of 18 assignments used, quality = 1.00: * HB2 ARG 144 + HD2 ARG 144 OK 98 100 - 98 - 4.0=56, 4912/3.0=15...(57) HB2 ARG 144 + HD3 ARG 144 OK 90 92 - 98 - 4.0=56, 4912/3.0=15...(55) HB2 LYS 48 - HD2 ARG 144 OK 35 100 - 35 - 4912/3.0=6, 4903/3.0=4...(14) HB3 LYS 48 - HD2 ARG 144 OK 33 100 - 33 - 4912/3.0=6, 4903/3.0=4...(12) HB2 LYS 48 - HD3 ARG 144 OK 31 90 - 35 - 4912/3.0=6, 4903/3.0=4...(14) HB3 LYS 48 - HD3 ARG 144 OK 30 90 - 33 - 4912/3.0=6, 4903/3.0=4...(12) HB2 LYS 36 - HD2 ARG 144 OK 19 100 - 19 - 4912/3.0=4, 4894/4.0=3...(8) HB2 LYS 36 - HD3 ARG 144 OK 17 90 - 19 - 4912/3.0=4, 4894/4.0=3...(8) HB3 LYS 85 - HD2 ARG 144 lone 8 96 - 8 - 4912/3.0=1, 4894/4.0=1 HB3 LYS 85 - HD3 ARG 144 lone 7 85 - 8 - 4912/3.0=1, 4894/4.0=1 HB3 LYS 76 - HD2 ARG 144 lone 5 72 - 7 - 4.0/6802=1 HG LEU 69 - HD2 ARG 144 lone 4 77 - 5 - 2.1/8461=1, ~8461=1 HB3 LYS 76 - HD3 ARG 144 lone 4 61 - 6 - 4.0/6802=1 HG LEU 69 - HD3 ARG 144 lone 3 65 - 5 - 2.1/8461=2, ~8461=1 HB3 LEU 126 - HD2 ARG 144 lone 2 81 - 3 - HB3 LEU 126 - HD3 ARG 144 lone 2 69 - 3 - HB3 GLU 28 - HD2 ARG 144 lone 1 68 - 1 - HB3 GLU 28 - HD3 ARG 144 lone 1 57 - 1 - Peak 4922 from aliabs.peaks (1.73, 3.18, 43.40 ppm; 3.18 A): 2 out of 20 assignments used, quality = 1.00: * HB3 ARG 144 + HD2 ARG 144 OK 97 100 - 97 - 4.0=52, 4913/3.0=16...(56) HB3 ARG 144 + HD3 ARG 144 OK 89 92 - 97 - 4.0=52, 4913/3.0=16...(54) HD2 LYS 36 - HD2 ARG 144 OK 23 100 - 23 - 4913/3.0=5, 4886/4.0=3...(7) HD2 LYS 36 - HD3 ARG 144 OK 21 91 - 23 - 4913/3.0=5, 4886/4.0=3...(7) HB2 ARG 49 - HD2 ARG 144 OK 17 81 - 21 - 4913/3.0=4, 4904/3.0=2...(9) HB2 ARG 49 - HD3 ARG 144 OK 14 69 - 21 - 4913/3.0=4, 4904/3.0=2...(8) HB3 GLU 81 - HD2 ARG 144 OK 11 100 - 11 - 4913/3.0=2, 4886/4.0=2...(4) HB ILE 58 - HD2 ARG 144 lone 10 100 - 10 - 4913/3.0=2, 1553/6.1=1...(6) HB3 GLU 81 - HD3 ARG 144 poor 10 90 - 11 - 4913/3.0=2, 4886/4.0=2...(4) HB2 GLU 81 - HD2 ARG 144 poor 9 89 - 11 - 4886/4.0=2, 4913/3.0=2...(4) HB ILE 58 - HD3 ARG 144 lone 9 91 - 10 - 4913/3.0=2, 1553/6.1=1...(6) HB2 GLU 81 - HD3 ARG 144 poor 8 77 - 11 - 4886/4.0=2, 4913/3.0=2...(4) HB2 LYS 85 - HD2 ARG 144 lone 7 81 - 8 - 4913/3.0=1 HB2 LYS 85 - HD3 ARG 144 lone 6 69 - 8 - 4913/3.0=1 HG3 ARG 140 - HD2 ARG 144 lone 3 85 - 4 - HG3 ARG 140 - HD3 ARG 144 lone 3 73 - 3 - HB3 ARG 109 - HD2 ARG 144 lone 3 92 - 3 - HB3 ARG 109 - HD3 ARG 144 lone 2 80 - 3 - HG3 ARG 89 - HD2 ARG 144 lone 2 98 - 2 - HG3 ARG 89 - HD3 ARG 144 lone 2 87 - 2 - Peak 4923 from aliabs.peaks (1.60, 3.18, 43.40 ppm; 2.92 A): 4 out of 20 assignments used, quality = 1.00: * HG2 ARG 144 + HD2 ARG 144 OK 99 100 - 99 - 3.0=96, 1.8/4916=18...(44) HG2 ARG 144 + HD3 ARG 144 OK 91 92 - 99 - 3.0=96, 1.8/4916=17...(44) HG3 ARG 144 + HD2 ARG 144 OK 67 68 - 99 - 3.0=96, 1.8/4907=15...(46) HG3 ARG 144 + HD3 ARG 144 OK 56 57 - 99 - 3.0=96, 1.8/4907=15...(44) HG2 ARG 141 - HD2 ARG 144 OK 27 99 - 28 - 4907=4, 4907/1.8=3...(11) HG2 ARG 141 - HD3 ARG 144 OK 22 89 - 25 - 4907=3, 4907/1.8=3...(9) HG3 LYS 48 - HD2 ARG 144 OK 16 77 - 21 - 2.9/4921=2, 2.9/4921=2...(8) HG3 LYS 48 - HD3 ARG 144 OK 13 65 - 20 - 2.9/4921=2, 4896/4.0=2...(8) HG3 ARG 49 - HD2 ARG 144 OK 13 77 - 17 - 4887/4.0=1, ~1270=1...(5) HG3 ARG 49 - HD3 ARG 144 OK 11 65 - 17 - 4887/4.0=1, ~1270=1...(4) HG LEU 108 - HD2 ARG 144 lone 5 98 - 5 - HB2 LEU 97 - HD2 ARG 144 lone 4 100 - 4 - HG LEU 108 - HD3 ARG 144 lone 4 87 - 5 - HB2 LEU 97 - HD3 ARG 144 lone 4 90 - 4 - HB2 LEU 79 - HD2 ARG 144 lone 3 94 - 3 - HB2 LEU 79 - HD3 ARG 144 lone 3 83 - 3 - HD2 LYS 61 - HD2 ARG 144 lone 1 96 - 1 - HD3 LYS 61 - HD2 ARG 144 lone 1 94 - 1 - HD2 LYS 61 - HD3 ARG 144 lone 1 85 - 1 - HD3 LYS 61 - HD3 ARG 144 lone 1 83 - 1 - Peak 4924 from aliabs.peaks (1.62, 3.18, 43.40 ppm; 2.88 A): 4 out of 22 assignments used, quality = 1.00: * HG3 ARG 144 + HD2 ARG 144 OK 99 100 - 99 - 3.0=92, 4916/1.8=17...(46) HG3 ARG 144 + HD3 ARG 144 OK 91 92 - 99 - 3.0=92, 4916/1.8=18...(44) HG2 ARG 144 + HD2 ARG 144 OK 66 68 - 98 - 3.0=92, 1.8/4916=18...(44) HG2 ARG 144 + HD3 ARG 144 OK 56 57 - 98 - 3.0=92, 1.8/4916=17...(44) HG3 LYS 48 - HD2 ARG 144 OK 21 100 - 21 - 4897/4.0=2, 4888/4.0=2...(8) HG2 ARG 141 - HD2 ARG 144 OK 20 85 - 23 - 4907=2, ~4808=1, ~4810=1...(10) HG3 LYS 48 - HD3 ARG 144 OK 19 91 - 21 - 4897/4.0=2, 4888/4.0=2...(8) HG3 ARG 49 - HD2 ARG 144 OK 18 100 - 18 - 1276/4.0=2, 4888/4.0=2...(4) HG3 ARG 49 - HD3 ARG 144 OK 16 91 - 18 - 1276/4.0=2, 4888/4.0=2...(4) HG2 ARG 141 - HD3 ARG 144 OK 15 73 - 21 - 4907=2, 4907/1.8=2...(8) HB2 LEU 87 - HD2 ARG 144 lone 5 99 - 5 - HB2 LEU 87 - HD3 ARG 144 lone 5 89 - 5 - HG LEU 108 - HD2 ARG 144 lone 4 89 - 5 - HG LEU 108 - HD3 ARG 144 lone 4 77 - 5 - HB2 LEU 97 - HD2 ARG 144 lone 3 81 - 4 - HB2 LEU 97 - HD3 ARG 144 lone 3 69 - 4 - HB3 LEU 64 - HD2 ARG 144 lone 2 77 - 3 - HB3 LEU 64 - HD3 ARG 144 lone 2 65 - 3 - HG3 LYS 34 - HD2 ARG 144 lone 1 77 - 1 - HG3 LYS 34 - HD3 ARG 144 lone 1 65 - 1 - HD2 LYS 24 - HD2 ARG 144 lone 0 77 - 1 - HD2 LYS 24 - HD3 ARG 144 lone 0 65 - 1 - Peak 4925 from aliabs.peaks (3.18, 3.18, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 144 + HD2 ARG 144 OK 100 100 - 100 HD3 ARG 144 + HD3 ARG 144 OK 87 87 - 100 Peak 4926 from aliabs.peaks (3.19, 3.18, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 144 + HD2 ARG 144 OK 98 98 - 100 HD3 ARG 144 + HD3 ARG 144 OK 92 92 - 100 Reference assignment not found: HD3 ARG 144 - HD2 ARG 144 Peak 4929 from aliabs.peaks (4.37, 3.19, 43.40 ppm; 4.61 A): 2 out of 15 assignments used, quality = 1.00: * HA ARG 144 + HD3 ARG 144 OK 100 100 - 100 - 5.2=72, 4911/3.0=30...(43) HA ARG 144 + HD2 ARG 144 OK 92 92 - 100 - 5.2=72, 4911/3.0=30...(43) HB THR 51 - HD3 ARG 144 OK 35 89 - 40 - ~8226=7, 4911/3.0=7...(9) HB THR 51 - HD2 ARG 144 OK 30 77 - 39 - ~8226=7, 4911/3.0=7...(9) HA ARG 144 - HD3 ARG 55 OK 29 50 - 58 - 4880/1.8=8, 4880=7...(20) HA ASP 65 - HD3 ARG 144 OK 20 98 - 21 - 8385/4.0=6, 4884/4.0=4...(6) HA ASP 65 - HD2 ARG 144 OK 18 87 - 20 - 8385/4.0=6, 4884/4.0=4...(6) HA3 GLY 77 - HD3 ARG 144 OK 17 100 - 17 - 4893/4.0=5, 4884/4.0=4...(4) HA3 GLY 77 - HD2 ARG 144 OK 16 91 - 17 - 4893/4.0=5, 4884/4.0=4...(4) HA ASN 96 - HD3 ARG 144 lone 5 92 - 5 - 4911/3.0=1, 4884/4.0=1 HA ASN 96 - HD2 ARG 144 lone 4 80 - 5 - 4911/3.0=1, 4884/4.0=1 HB THR 51 - HD3 ARG 55 lone 2 39 - 5 - HA ASP 65 - HD3 ARG 55 lone 1 46 - 3 - HA3 GLY 77 - HD3 ARG 55 lone 1 49 - 2 - HA ASN 96 - HD3 ARG 55 lone 1 41 - 2 - Peak 4930 from aliabs.peaks (1.87, 3.19, 43.40 ppm; 3.26 A): 2 out of 27 assignments used, quality = 1.00: * HB2 ARG 144 + HD3 ARG 144 OK 98 100 - 98 - 4.0=56, 4912/3.0=15...(55) HB2 ARG 144 + HD2 ARG 144 OK 90 92 - 98 - 4.0=56, 4912/3.0=15...(57) HB2 LYS 48 - HD3 ARG 144 OK 35 100 - 35 - 4912/3.0=6, 4903/3.0=4...(14) HB3 LYS 48 - HD3 ARG 144 OK 33 100 - 33 - 4912/3.0=6, 4903/3.0=4...(12) HB2 LYS 48 - HD2 ARG 144 OK 31 90 - 35 - 4912/3.0=6, 4903/3.0=4...(14) HB3 LYS 48 - HD2 ARG 144 OK 30 90 - 33 - 4912/3.0=6, 4903/3.0=4...(12) HB2 ARG 144 - HD3 ARG 55 OK 24 50 - 48 - 4889=7, 4889/1.8=6...(23) HB2 LYS 36 - HD3 ARG 144 OK 19 100 - 19 - 4912/3.0=4, 4894/4.0=3...(8) HB2 LYS 36 - HD2 ARG 144 OK 17 90 - 19 - 4912/3.0=4, 4894/4.0=3...(8) HB3 LYS 85 - HD3 ARG 144 lone 8 96 - 8 - 4912/3.0=1, 4894/4.0=1 HB3 LYS 85 - HD2 ARG 144 lone 7 85 - 8 - 4912/3.0=1, 4894/4.0=1 HB3 LYS 76 - HD3 ARG 144 lone 5 72 - 6 - 4.0/6802=1 HB3 LYS 76 - HD2 ARG 144 lone 4 61 - 7 - 4.0/6802=1 HG LEU 69 - HD3 ARG 144 lone 4 77 - 5 - 2.1/8461=2, ~8461=1 HG LEU 69 - HD2 ARG 144 lone 3 65 - 5 - 2.1/8461=2, ~8461=1 HB3 LYS 76 - HD3 ARG 55 lone 3 30 - 10 - ~2249=1, ~2249=1...(5) HB3 LEU 126 - HD3 ARG 144 lone 2 81 - 3 - HB3 LEU 126 - HD2 ARG 144 lone 2 69 - 3 - HB3 LEU 126 - HD3 ARG 55 lone 1 34 - 3 - HB2 LYS 48 - HD3 ARG 55 lone 1 48 - 2 - HB3 LYS 48 - HD3 ARG 55 lone 1 48 - 2 - HB3 LYS 85 - HD3 ARG 55 lone 1 45 - 2 - HB2 LYS 36 - HD3 ARG 55 lone 1 48 - 2 - HB3 GLU 28 - HD3 ARG 144 lone 1 68 - 1 - HG LEU 69 - HD3 ARG 55 lone 1 32 - 2 - HB3 GLU 28 - HD2 ARG 144 lone 1 57 - 1 - HB3 GLU 28 - HD3 ARG 55 lone 0 27 - 0 - Peak 4931 from aliabs.peaks (1.73, 3.19, 43.40 ppm; 3.18 A): 2 out of 30 assignments used, quality = 1.00: * HB3 ARG 144 + HD3 ARG 144 OK 97 100 - 97 - 4.0=52, 4913/3.0=16...(54) HB3 ARG 144 + HD2 ARG 144 OK 89 92 - 97 - 4.0=52, 4913/3.0=16...(56) HD2 LYS 36 - HD3 ARG 144 OK 23 100 - 23 - 4913/3.0=5, 4886/4.0=3...(7) HB3 ARG 144 - HD3 ARG 55 OK 23 50 - 46 - 4898=6, 4898/1.8=6...(22) HD2 LYS 36 - HD2 ARG 144 OK 21 91 - 23 - 4913/3.0=5, 4886/4.0=3...(7) HB2 ARG 49 - HD3 ARG 144 OK 17 81 - 21 - 4913/3.0=4, 4904/3.0=2...(9) HB2 ARG 49 - HD2 ARG 144 OK 14 69 - 21 - 4913/3.0=4, 4904/3.0=2...(8) HB3 GLU 81 - HD3 ARG 144 OK 11 100 - 11 - 4913/3.0=2, 4886/4.0=2...(4) HB ILE 58 - HD3 ARG 144 lone 10 100 - 10 - 4913/3.0=2, 1553/6.1=1...(6) HB3 GLU 81 - HD2 ARG 144 poor 10 90 - 11 - 4913/3.0=2, 4886/4.0=2...(4) HB2 GLU 81 - HD3 ARG 144 poor 9 89 - 11 - 4886/4.0=2, 4913/3.0=2...(4) HB ILE 58 - HD2 ARG 144 lone 9 91 - 10 - 4913/3.0=2, 1553/6.1=1...(6) HB2 GLU 81 - HD2 ARG 144 poor 8 77 - 11 - 4886/4.0=2, 4913/3.0=2...(4) HB2 LYS 85 - HD3 ARG 144 lone 7 81 - 8 - 4913/3.0=1 HB2 LYS 85 - HD2 ARG 144 lone 6 69 - 8 - 4913/3.0=1 HG3 ARG 140 - HD3 ARG 144 lone 3 85 - 4 - HG3 ARG 140 - HD2 ARG 144 lone 3 73 - 4 - HB3 ARG 109 - HD3 ARG 144 lone 3 92 - 3 - HG3 ARG 89 - HD3 ARG 144 lone 2 98 - 2 - HB3 ARG 109 - HD2 ARG 144 lone 2 80 - 3 - HG3 ARG 89 - HD2 ARG 144 lone 2 87 - 2 - HD2 LYS 36 - HD3 ARG 55 lone 1 49 - 2 - HB3 GLU 81 - HD3 ARG 55 lone 1 48 - 1 - HB2 ARG 49 - HD3 ARG 55 lone 1 34 - 2 - HB2 GLU 81 - HD3 ARG 55 lone 1 39 - 1 - HB2 LYS 85 - HD3 ARG 55 lone 1 34 - 2 - HB ILE 58 - HD3 ARG 55 lone 0 49 - 1 - HB3 ARG 109 - HD3 ARG 55 lone 0 41 - 1 - HG3 ARG 140 - HD3 ARG 55 lone 0 37 - 1 - HG3 ARG 89 - HD3 ARG 55 lone 0 46 - 0 - Peak 4932 from aliabs.peaks (1.60, 3.19, 43.40 ppm; 2.92 A): 4 out of 30 assignments used, quality = 1.00: * HG2 ARG 144 + HD3 ARG 144 OK 99 100 - 99 - 3.0=96, 1.8/4916=17...(44) HG2 ARG 144 + HD2 ARG 144 OK 91 92 - 99 - 3.0=96, 1.8/4916=17...(44) HG3 ARG 144 + HD3 ARG 144 OK 67 68 - 99 - 3.0=96, 1.8/4907=14...(44) HG3 ARG 144 + HD2 ARG 144 OK 56 57 - 99 - 3.0=96, 1.8/4907=14...(46) HG2 ARG 141 - HD3 ARG 144 OK 26 99 - 27 - 4907=3, 4907/1.8=3...(10) HG2 ARG 141 - HD2 ARG 144 OK 24 89 - 28 - 4907=4, 4907/1.8=3...(11) HG2 ARG 144 - HD3 ARG 55 OK 17 50 - 35 - 4907=4, 1.8/4916=4...(16) HG3 LYS 48 - HD3 ARG 144 OK 16 77 - 21 - 2.9/4930=2, 4896/4.0=2...(8) HG3 ARG 49 - HD3 ARG 144 OK 13 77 - 17 - 4887/4.0=1, ~1270=1...(4) HG3 LYS 48 - HD2 ARG 144 OK 13 65 - 20 - 4896/4.0=2, 4887/4.0=2...(8) HG3 ARG 49 - HD2 ARG 144 OK 11 65 - 17 - 4887/4.0=1, ~1270=1...(4) HG3 ARG 144 - HD3 ARG 55 poor 9 27 - 33 - 1.8/4907=3, 3.0/4889=3...(18) HB2 LEU 79 - HD3 ARG 55 poor 6 43 - 14 - 2368/3.0=2, 2368/3.0=2, ~2358=1 HG LEU 108 - HD3 ARG 144 lone 5 98 - 5 - HG2 ARG 141 - HD3 ARG 55 lone 5 47 - 10 - 4907=1, 4907/1.8=1 HB2 LEU 97 - HD3 ARG 144 lone 5 100 - 5 - HG LEU 108 - HD2 ARG 144 lone 4 87 - 5 - HB2 LEU 97 - HD2 ARG 144 lone 4 90 - 4 - HB2 LEU 79 - HD3 ARG 144 lone 3 94 - 3 - HB2 LEU 79 - HD2 ARG 144 lone 3 83 - 3 - HD2 LYS 61 - HD3 ARG 144 lone 1 96 - 1 - HD3 LYS 61 - HD3 ARG 144 lone 1 94 - 1 - HD2 LYS 61 - HD2 ARG 144 lone 1 85 - 1 - HD3 LYS 61 - HD2 ARG 144 lone 1 83 - 1 - HG3 LYS 48 - HD3 ARG 55 lone 0 32 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 0 32 - 1 - HB2 LEU 97 - HD3 ARG 55 lone 0 48 - 1 - HG LEU 108 - HD3 ARG 55 lone 0 46 - 0 - HD2 LYS 61 - HD3 ARG 55 lone 0 45 - 0 - HD3 LYS 61 - HD3 ARG 55 lone 0 43 - 0 - Peak 4933 from aliabs.peaks (1.62, 3.19, 43.40 ppm; 2.88 A): 4 out of 33 assignments used, quality = 1.00: * HG3 ARG 144 + HD3 ARG 144 OK 99 100 - 99 - 3.0=92, 4916/1.8=18...(44) HG3 ARG 144 + HD2 ARG 144 OK 91 92 - 99 - 3.0=92, 4916/1.8=17...(46) HG2 ARG 144 + HD3 ARG 144 OK 66 68 - 98 - 3.0=92, 1.8/4916=16...(44) HG2 ARG 144 + HD2 ARG 144 OK 56 57 - 98 - 3.0=92, 1.8/4916=17...(44) HG3 LYS 48 - HD3 ARG 144 OK 21 100 - 21 - 4897/4.0=2, 4888/4.0=2...(8) HG2 ARG 141 - HD3 ARG 144 OK 19 85 - 22 - 4907=2, 4907/1.8=2...(9) HG3 LYS 48 - HD2 ARG 144 OK 19 91 - 21 - 4897/4.0=2, 4888/4.0=2...(8) HG3 ARG 49 - HD3 ARG 144 OK 18 100 - 18 - 1276/4.0=2, 4888/4.0=2...(4) HG3 ARG 144 - HD3 ARG 55 OK 18 50 - 35 - 4916=5, 4916/1.8=4...(18) HG2 ARG 141 - HD2 ARG 144 OK 17 73 - 23 - 4907=2, ~4808=1, ~4810=1...(10) HG3 ARG 49 - HD2 ARG 144 OK 16 91 - 18 - 1276/4.0=2, 4888/4.0=2...(4) HG2 ARG 144 - HD3 ARG 55 poor 9 27 - 31 - 1.8/4916=4, 3.0/4889=3...(16) HB2 LEU 87 - HD3 ARG 144 lone 5 99 - 5 - HB2 LEU 87 - HD2 ARG 144 lone 5 89 - 5 - HG LEU 108 - HD3 ARG 144 lone 4 89 - 5 - HG LEU 108 - HD2 ARG 144 lone 3 77 - 5 - HB2 LEU 97 - HD3 ARG 144 lone 3 81 - 4 - HG2 ARG 141 - HD3 ARG 55 lone 3 37 - 9 - HB2 LEU 97 - HD2 ARG 144 lone 3 69 - 4 - HB3 LEU 64 - HD3 ARG 144 lone 3 77 - 3 - HB3 LEU 64 - HD2 ARG 144 lone 2 65 - 3 - HG3 LYS 34 - HD3 ARG 144 lone 1 77 - 1 - HB2 LEU 87 - HD3 ARG 55 lone 1 47 - 1 - HG3 LYS 48 - HD3 ARG 55 lone 1 49 - 1 - HG3 LYS 34 - HD2 ARG 144 lone 1 65 - 1 - HG3 ARG 49 - HD3 ARG 55 lone 1 49 - 1 - HD2 LYS 24 - HD3 ARG 144 lone 0 77 - 1 - HD2 LYS 24 - HD2 ARG 144 lone 0 65 - 1 - HG LEU 108 - HD3 ARG 55 lone 0 39 - 0 - HB2 LEU 97 - HD3 ARG 55 lone 0 34 - 0 - HB3 LEU 64 - HD3 ARG 55 lone 0 32 - 0 - HG3 LYS 34 - HD3 ARG 55 lone 0 32 - 0 - HD2 LYS 24 - HD3 ARG 55 lone 0 32 - 0 - Peak 4934 from aliabs.peaks (3.18, 3.19, 43.40 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 144 + HD3 ARG 144 OK 98 98 - 100 HD2 ARG 144 + HD2 ARG 144 OK 92 92 - 100 HD3 ARG 55 - HD3 ARG 55 OK 32 32 - 100 Reference assignment not found: HD2 ARG 144 - HD3 ARG 144 Peak 4935 from aliabs.peaks (3.19, 3.19, 43.40 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 144 + HD3 ARG 144 OK 100 100 - 100 HD2 ARG 144 + HD2 ARG 144 OK 87 87 - 100 HD3 ARG 55 - HD3 ARG 55 OK 43 43 - 100 Peak 4938 from aliabs.peaks (4.13, 4.13, 57.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 145 + HA ARG 145 OK 100 100 - 100 Peak 4939 from aliabs.peaks (1.67, 4.13, 57.32 ppm; 2.84 A): 1 out of 14 assignments used, quality = 0.96: * HB2 ARG 145 + HA ARG 145 OK 96 100 - 96 - 3.0=84, 1.8/4940=24...(33) HG2 ARG 124 - HA ARG 145 OK 24 68 - 35 - 4955/3.0=5, 3.0/10523=4...(12) HB2 PRO 57 - HA ARG 145 OK 14 81 - 17 - ~10586=5, 2.3/4940=3, 4955/3.0=2 HB VAL 71 - HA ARG 145 OK 10 100 - 10 - 4955/3.0=2 HG13 ILE 136 - HA ARG 145 lone 8 100 - 8 - 3.7/10390=3 HG2 ARG 89 - HA ARG 145 lone 6 100 - 6 - 3.8/10387=2 HD2 LYS 48 - HA ARG 145 lone 5 100 - 5 - 7895/3.0=2 HD3 LYS 48 - HA ARG 145 lone 5 99 - 5 - 7895/3.0=2 HG3 ARG 141 - HA ARG 145 lone 5 68 - 7 - 3.0/10388=1, 3.0/10388=1 HG2 ARG 140 - HA ARG 145 lone 4 68 - 6 - HB2 LEU 95 - HA ARG 145 lone 4 100 - 4 - HD3 LYS 93 - HA ARG 145 lone 2 99 - 2 - HB2 MET 68 - HA ARG 145 lone 2 100 - 2 - HG LEU 97 - HA ARG 145 lone 1 62 - 1 - Peak 4940 from aliabs.peaks (1.79, 4.13, 57.32 ppm; 2.72 A): 2 out of 8 assignments used, quality = 0.92: * HB3 ARG 145 + HA ARG 145 OK 90 100 - 90 - 3.0=73, 1.8/4939=16...(32) HG2 PRO 57 + HA ARG 145 OK 14 92 - 15 - ~10586=4, 4948/3.0=2, 2.3/4939=2 HG LEU 72 - HA ARG 145 lone 6 92 - 7 - HD2 LYS 34 - HA ARG 145 lone 6 100 - 6 - 4948/3.0=1 HB3 ARG 55 - HA ARG 145 lone 6 89 - 7 - 3.9/10388=2, 3.9/10388=1 HD3 LYS 34 - HA ARG 145 lone 5 89 - 5 - HD3 LYS 86 - HA ARG 145 lone 2 89 - 3 - HB3 MET 59 - HA ARG 145 lone 1 68 - 1 - Peak 4941 from aliabs.peaks (1.57, 4.13, 57.32 ppm; 2.90 A): 3 out of 10 assignments used, quality = 0.99: HG3 ARG 145 + HA ARG 145 OK 86 100 - 86 - 4.0=39, 2.9/4940=17...(35) * HG2 ARG 145 + HA ARG 145 OK 86 100 - 86 - 4.0=39, 2.9/4940=17...(35) HG2 ARG 109 + HA ARG 145 OK 47 99 - 48 - 4970=7, 4950/3.0=5...(27) HG3 ARG 109 - HA ARG 145 OK 43 77 - 56 - 1.8/4970=6, 4949/3.0=4...(39) HG2 ARG 55 - HA ARG 145 OK 10 94 - 11 - 3.0/10388=2, 3.0/10388=2 HG3 ARG 55 - HA ARG 145 poor 10 89 - 11 - 3.0/10388=2, 3.0/10388=2 HD2 LYS 85 - HA ARG 145 lone 5 100 - 5 - HD3 LYS 85 - HA ARG 145 lone 5 92 - 5 - HB2 LEU 126 - HA ARG 145 lone 3 100 - 3 - HB2 LEU 66 - HA ARG 145 lone 1 62 - 2 - Peak 4942 from aliabs.peaks (1.57, 4.13, 57.32 ppm; 2.90 A): 3 out of 10 assignments used, quality = 0.99: * HG3 ARG 145 + HA ARG 145 OK 86 100 - 86 - 4.0=39, 2.9/4940=17...(35) HG2 ARG 145 + HA ARG 145 OK 86 100 - 86 - 4.0=39, 2.9/4940=17...(35) HG2 ARG 109 + HA ARG 145 OK 47 99 - 48 - 4970=7, 4950/3.0=5...(27) HG3 ARG 109 - HA ARG 145 OK 43 77 - 56 - 1.8/4970=6, 4949/3.0=4...(39) HG2 ARG 55 - HA ARG 145 OK 10 94 - 11 - 3.0/10388=2, 3.0/10388=2 HG3 ARG 55 - HA ARG 145 poor 10 89 - 11 - 3.0/10388=2, 3.0/10388=2 HD2 LYS 85 - HA ARG 145 lone 5 100 - 5 - HD3 LYS 85 - HA ARG 145 lone 5 92 - 5 - HB2 LEU 126 - HA ARG 145 lone 3 100 - 3 - HB2 LEU 66 - HA ARG 145 lone 1 62 - 2 - Peak 4943 from aliabs.peaks (3.12, 4.13, 57.32 ppm; 3.49 A): 3 out of 7 assignments used, quality = 0.99: * HD2 ARG 145 + HA ARG 145 OK 87 100 - 87 - 5.3=28, 3.4/4940=20...(35) HD3 ARG 145 + HA ARG 145 OK 87 100 - 87 - 5.3=28, 3.4/4940=20...(35) HD2 ARG 109 + HA ARG 145 OK 50 100 - 50 - 4978=7, 3.0/4970=6...(28) HB3 PHE 106 - HA ARG 145 OK 14 94 - 15 - ~10385=8, 4960/3.0=3, 4952/3.0=2 HB3 ASN 96 - HA ARG 145 lone 4 100 - 4 - ~9079=1 HA ALA 105 - HA ARG 145 lone 3 81 - 3 - HA TYR 119 - HA ARG 145 lone 1 81 - 1 - Peak 4944 from aliabs.peaks (3.12, 4.13, 57.32 ppm; 3.49 A): 3 out of 8 assignments used, quality = 0.99: HD2 ARG 145 + HA ARG 145 OK 87 100 - 87 - 5.3=28, 3.4/4940=20...(35) * HD3 ARG 145 + HA ARG 145 OK 87 100 - 87 - 5.3=28, 3.4/4940=20...(35) HD2 ARG 109 + HA ARG 145 OK 50 99 - 50 - 4978=7, 3.0/4970=6...(28) HB3 PHE 106 - HA ARG 145 OK 15 96 - 15 - ~10385=8, 4960/3.0=3, 4952/3.0=2 HA VAL 80 - HA ARG 145 lone 5 62 - 8 - 3.6/10521=8 HB3 ASN 96 - HA ARG 145 lone 4 100 - 4 - ~9079=1 HA ALA 105 - HA ARG 145 lone 2 77 - 3 - HA TYR 119 - HA ARG 145 lone 1 77 - 1 - Peak 4946 from aliabs.peaks (4.13, 1.67, 31.16 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.0=100 HA THR 99 - HB2 ARG 145 lone 4 68 - 5 - 4954/1.8=1 Peak 4947 from aliabs.peaks (1.67, 1.67, 31.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 145 + HB2 ARG 145 OK 100 100 - 100 Peak 4948 from aliabs.peaks (1.79, 1.67, 31.16 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 1.8=100 HG2 PRO 57 - HB2 ARG 145 OK 12 92 - 13 - 4940/3.0=2 HD2 LYS 34 - HB2 ARG 145 lone 6 100 - 6 - HG LEU 72 - HB2 ARG 145 lone 6 92 - 6 - HD3 LYS 34 - HB2 ARG 145 lone 5 89 - 6 - HB3 ARG 55 - HB2 ARG 145 lone 4 89 - 5 - HD3 LYS 86 - HB2 ARG 145 lone 3 89 - 3 - HB3 MET 59 - HB2 ARG 145 lone 1 68 - 1 - Peak 4949 from aliabs.peaks (1.57, 1.67, 31.16 ppm; 2.64 A): 4 out of 10 assignments used, quality = 1.00: * HG2 ARG 145 + HB2 ARG 145 OK 93 100 - 93 - 2.9=77, 4958/1.8=9...(38) HG3 ARG 145 + HB2 ARG 145 OK 93 100 - 93 - 2.9=77, 4958/1.8=9...(38) HG2 ARG 109 + HB2 ARG 145 OK 62 99 - 63 - 4963=6, 4957/1.8=6...(27) HG3 ARG 109 + HB2 ARG 145 OK 52 77 - 68 - 4958/1.8=5, 1.8/4971=4...(31) HD2 LYS 85 - HB2 ARG 145 lone 8 100 - 7 - HD3 LYS 85 - HB2 ARG 145 lone 7 92 - 7 - HG2 ARG 55 - HB2 ARG 145 lone 7 94 - 7 - HG3 ARG 55 - HB2 ARG 145 lone 7 89 - 7 - HB2 LEU 126 - HB2 ARG 145 lone 5 100 - 5 - HB2 LEU 66 - HB2 ARG 145 lone 2 62 - 3 - Peak 4950 from aliabs.peaks (1.57, 1.67, 31.16 ppm; 2.64 A): 4 out of 10 assignments used, quality = 1.00: HG2 ARG 145 + HB2 ARG 145 OK 93 100 - 93 - 2.9=77, 4958/1.8=9...(38) * HG3 ARG 145 + HB2 ARG 145 OK 93 100 - 93 - 2.9=77, 4958/1.8=9...(38) HG2 ARG 109 + HB2 ARG 145 OK 62 99 - 63 - 4963=6, 4957/1.8=6...(27) HG3 ARG 109 + HB2 ARG 145 OK 52 77 - 68 - 4958/1.8=5, 1.8/4971=4...(31) HD2 LYS 85 - HB2 ARG 145 lone 8 100 - 7 - HD3 LYS 85 - HB2 ARG 145 lone 7 92 - 7 - HG2 ARG 55 - HB2 ARG 145 lone 7 94 - 7 - HG3 ARG 55 - HB2 ARG 145 lone 7 89 - 7 - HB2 LEU 126 - HB2 ARG 145 lone 5 100 - 5 - HB2 LEU 66 - HB2 ARG 145 lone 2 62 - 3 - Peak 4951 from aliabs.peaks (3.12, 1.67, 31.16 ppm; 3.66 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD3 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB2 ARG 145 OK 75 100 - 76 - 4959/1.8=9, 3.0/4950=7...(38) HB3 PHE 106 - HB2 ARG 145 OK 30 94 - 32 - ~10385=12, 4960/1.8=4...(13) HB3 ASN 96 - HB2 ARG 145 lone 10 100 - 9 - 1.8/9079=2, 3.9/7125=1, ~3177=1 HA ALA 105 - HB2 ARG 145 lone 3 81 - 4 - HA TYR 119 - HB2 ARG 145 lone 2 81 - 2 - Peak 4952 from aliabs.peaks (3.12, 1.67, 31.16 ppm; 3.66 A): 3 out of 8 assignments used, quality = 1.00: * HD3 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 145 + HB2 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB2 ARG 145 OK 75 99 - 76 - 4959/1.8=9, 3.0/4950=7...(38) HB3 PHE 106 - HB2 ARG 145 OK 31 96 - 32 - ~10385=12, 4960/1.8=4...(13) HB3 ASN 96 - HB2 ARG 145 lone 10 100 - 9 - 1.8/9079=2, 3.9/7125=1, ~3177=1 HA ALA 105 - HB2 ARG 145 lone 3 77 - 4 - HA VAL 80 - HB2 ARG 145 lone 2 62 - 3 - HA TYR 119 - HB2 ARG 145 lone 1 77 - 2 - Peak 4954 from aliabs.peaks (4.13, 1.79, 31.16 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.0=100 HA THR 99 - HB3 ARG 145 lone 3 68 - 4 - 4946/1.8=1 Peak 4955 from aliabs.peaks (1.67, 1.79, 31.16 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HB2 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 1.8=100 HG2 ARG 124 - HB3 ARG 145 OK 24 68 - 35 - 4939/3.0=3, 1.8/4957=3...(16) HB VAL 71 - HB3 ARG 145 OK 11 100 - 11 - 2.1/9901=1 HB2 PRO 57 - HB3 ARG 145 OK 11 81 - 13 - 1.8/1524=2, 4939/3.0=1...(4) HG13 ILE 136 - HB3 ARG 145 lone 4 100 - 4 - HB2 LEU 95 - HB3 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HB3 ARG 145 lone 4 100 - 4 - HD2 LYS 48 - HB3 ARG 145 lone 3 100 - 3 - HD3 LYS 48 - HB3 ARG 145 lone 3 99 - 3 - HB2 MET 68 - HB3 ARG 145 lone 2 100 - 2 - HD3 LYS 93 - HB3 ARG 145 lone 2 99 - 2 - HG3 ARG 141 - HB3 ARG 145 lone 2 68 - 3 - HG2 ARG 140 - HB3 ARG 145 lone 2 68 - 3 - HG LEU 97 - HB3 ARG 145 lone 1 62 - 1 - Peak 4956 from aliabs.peaks (1.79, 1.79, 31.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 145 + HB3 ARG 145 OK 100 100 - 100 Peak 4957 from aliabs.peaks (1.57, 1.79, 31.16 ppm; 2.65 A): 4 out of 10 assignments used, quality = 1.00: * HG2 ARG 145 + HB3 ARG 145 OK 94 100 - 94 - 2.9=78, 4.0/4940=9...(38) HG3 ARG 145 + HB3 ARG 145 OK 94 100 - 94 - 2.9=78, 4.0/4940=9...(38) HG2 ARG 109 + HB3 ARG 145 OK 62 99 - 63 - 4972=7, 4949/1.8=6...(25) HG3 ARG 109 + HB3 ARG 145 OK 52 77 - 68 - 4949/1.8=5, 1.8/4972=5...(29) HG2 ARG 55 - HB3 ARG 145 lone 8 94 - 9 - 1416=1 HD2 LYS 85 - HB3 ARG 145 lone 8 100 - 8 - HG3 ARG 55 - HB3 ARG 145 lone 8 89 - 9 - 1416=1 HD3 LYS 85 - HB3 ARG 145 lone 7 92 - 8 - HB2 LEU 126 - HB3 ARG 145 lone 6 100 - 6 - HB2 LEU 66 - HB3 ARG 145 lone 2 62 - 3 - Peak 4958 from aliabs.peaks (1.57, 1.79, 31.16 ppm; 2.65 A): 4 out of 10 assignments used, quality = 1.00: HG2 ARG 145 + HB3 ARG 145 OK 94 100 - 94 - 2.9=78, 4.0/4940=9...(38) * HG3 ARG 145 + HB3 ARG 145 OK 94 100 - 94 - 2.9=78, 4.0/4940=9...(38) HG2 ARG 109 + HB3 ARG 145 OK 62 99 - 63 - 4972=7, 4949/1.8=6...(25) HG3 ARG 109 + HB3 ARG 145 OK 52 77 - 68 - 4949/1.8=5, 1.8/4972=5...(29) HG2 ARG 55 - HB3 ARG 145 lone 8 94 - 9 - 1416=1 HD2 LYS 85 - HB3 ARG 145 lone 8 100 - 8 - HG3 ARG 55 - HB3 ARG 145 lone 8 89 - 9 - 1416=1 HD3 LYS 85 - HB3 ARG 145 lone 7 92 - 8 - HB2 LEU 126 - HB3 ARG 145 lone 6 100 - 6 - HB2 LEU 66 - HB3 ARG 145 lone 2 62 - 3 - Peak 4959 from aliabs.peaks (3.12, 1.79, 31.16 ppm; 3.52 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD3 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB3 ARG 145 OK 72 100 - 73 - 4980=9, 4951/1.8=8...(37) HB3 PHE 106 - HB3 ARG 145 OK 30 94 - 32 - 2.5/10385=14, 4952/1.8=3...(11) HB3 ASN 96 - HB3 ARG 145 lone 7 100 - 7 - ~9079=1, 4951/1.8=1 HA ALA 105 - HB3 ARG 145 lone 3 81 - 4 - HA TYR 119 - HB3 ARG 145 lone 2 81 - 3 - 9428/10385=1 Peak 4960 from aliabs.peaks (3.12, 1.79, 31.16 ppm; 3.52 A): 3 out of 8 assignments used, quality = 1.00: * HD3 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 145 + HB3 ARG 145 OK 100 100 - 100 - 3.4=100 HD2 ARG 109 + HB3 ARG 145 OK 72 99 - 73 - 4980=9, 4951/1.8=8...(37) HB3 PHE 106 - HB3 ARG 145 OK 31 96 - 32 - 2.5/10385=14, 4952/1.8=3...(11) HB3 ASN 96 - HB3 ARG 145 lone 7 100 - 7 - ~9079=1, 4951/1.8=1 HA ALA 105 - HB3 ARG 145 lone 3 77 - 4 - HA TYR 119 - HB3 ARG 145 lone 2 77 - 3 - 9428/10385=1 HA VAL 80 - HB3 ARG 145 lone 2 62 - 3 - Peak 4962 from aliabs.peaks (4.13, 1.57, 27.07 ppm; 3.38 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 145 + HG2 ARG 145 OK 95 100 - 95 - 4.0=62, 4940/2.9=23...(35) HA ARG 145 + HG3 ARG 145 OK 95 100 - 95 - 4.0=62, 4940/2.9=23...(35) HA ARG 145 + HG2 ARG 109 OK 54 86 - 63 - 4942=8, 4941/1.8=6...(33) HA THR 99 - HG2 ARG 145 lone 4 68 - 5 - 4946/2.9=1 HA THR 99 - HG3 ARG 145 lone 4 68 - 5 - 4946/2.9=1 HA THR 99 - HG2 ARG 109 lone 1 51 - 1 - Peak 4963 from aliabs.peaks (1.67, 1.57, 27.07 ppm; 2.57 A): 3 out of 42 assignments used, quality = 1.00: * HB2 ARG 145 + HG2 ARG 145 OK 90 100 - 90 - 2.9=71, 4950/1.8=8...(38) HB2 ARG 145 + HG3 ARG 145 OK 90 100 - 90 - 2.9=71, 4949/1.8=8...(38) HB2 ARG 145 + HG2 ARG 109 OK 54 86 - 63 - 4950=9, 1.8/4957=5...(28) HG2 ARG 124 - HG2 ARG 145 OK 25 68 - 37 - 4955/2.9=4, 4227=3...(12) HG2 ARG 124 - HG3 ARG 145 OK 24 68 - 36 - 4955/2.9=4, 4227=2...(13) HG2 ARG 124 - HG2 ARG 109 OK 20 51 - 39 - 4227/1.8=3, ~4237=2...(23) HG13 ILE 136 - HG2 ARG 109 OK 14 85 - 17 - ~9668=2, ~10333=2...(8) HG2 ARG 89 - HG2 ARG 109 OK 13 84 - 16 - 2879/2.8=2, ~3561=1...(7) HB VAL 71 - HG2 ARG 145 lone 9 100 - 9 - 4955/2.9=1, ~8505=1 HB VAL 71 - HG3 ARG 145 lone 9 100 - 9 - 4955/2.9=1, ~8505=1 HB2 PRO 57 - HG2 ARG 145 poor 9 81 - 11 - 4955/2.9=1 HB2 PRO 57 - HG3 ARG 145 poor 9 81 - 11 - 4955/2.9=1 HB2 LEU 95 - HG2 ARG 145 lone 4 100 - 4 - HB2 LEU 95 - HG3 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HG3 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HG2 ARG 145 lone 4 100 - 4 - HG13 ILE 136 - HG2 ARG 145 lone 3 100 - 3 - HG13 ILE 136 - HG3 ARG 145 lone 3 100 - 3 - HD2 LYS 48 - HG2 ARG 145 lone 3 100 - 3 - HD2 LYS 48 - HG3 ARG 145 lone 3 100 - 3 - HD3 LYS 48 - HG2 ARG 145 lone 3 99 - 3 - HD3 LYS 48 - HG3 ARG 145 lone 3 99 - 3 - HB2 LEU 95 - HG2 ARG 109 lone 2 84 - 3 - HD3 LYS 93 - HG2 ARG 145 lone 2 99 - 2 - HD3 LYS 93 - HG3 ARG 145 lone 2 99 - 2 - HD3 LYS 93 - HG2 ARG 109 lone 2 83 - 2 - HB2 MET 68 - HG2 ARG 145 lone 2 100 - 2 - HB2 MET 68 - HG3 ARG 145 lone 2 100 - 2 - HG LEU 97 - HG2 ARG 109 lone 1 47 - 3 - ~9126=2 HG3 ARG 141 - HG2 ARG 145 lone 1 68 - 2 - HG3 ARG 141 - HG3 ARG 145 lone 1 68 - 2 - HG2 ARG 140 - HG2 ARG 145 lone 1 68 - 2 - HG2 ARG 140 - HG3 ARG 145 lone 1 68 - 2 - HD3 LYS 48 - HG2 ARG 109 lone 1 83 - 1 - HD2 LYS 48 - HG2 ARG 109 lone 1 84 - 1 - HB VAL 71 - HG2 ARG 109 lone 1 84 - 1 - HG LEU 97 - HG2 ARG 145 lone 1 62 - 2 - HG LEU 97 - HG3 ARG 145 lone 1 62 - 2 - HB2 MET 68 - HG2 ARG 109 lone 1 84 - 1 - HB2 PRO 57 - HG2 ARG 109 lone 1 64 - 1 - HG2 ARG 140 - HG2 ARG 109 lone 0 51 - 1 - HG3 ARG 141 - HG2 ARG 109 lone 0 51 - 1 - Peak 4964 from aliabs.peaks (1.79, 1.57, 27.07 ppm; 2.82 A): 3 out of 24 assignments used, quality = 1.00: * HB3 ARG 145 + HG2 ARG 145 OK 99 100 - 99 - 2.9=94, 4940/4.0=10...(38) HB3 ARG 145 + HG3 ARG 145 OK 99 100 - 99 - 2.9=94, 4940/4.0=10...(38) HB3 ARG 145 + HG2 ARG 109 OK 61 86 - 71 - 4957=9, 1.8/4950=7...(44) HG2 PRO 57 - HG2 ARG 145 OK 12 92 - 13 - 4948/2.9=2, 4940/4.0=2 HG2 PRO 57 - HG3 ARG 145 OK 12 92 - 13 - 4948/2.9=2, 4940/4.0=2 HD3 LYS 86 - HG2 ARG 109 poor 8 71 - 12 - 2740/2.8=1 HD2 LYS 34 - HG2 ARG 145 lone 7 100 - 7 - 4948/2.9=1 HD2 LYS 34 - HG3 ARG 145 lone 7 100 - 6 - 4948/2.9=1 HB3 ARG 55 - HG2 ARG 145 lone 6 89 - 6 - HB3 ARG 55 - HG3 ARG 145 lone 6 89 - 6 - HD3 LYS 34 - HG2 ARG 145 lone 6 89 - 6 - 4948/2.9=1 HD3 LYS 34 - HG3 ARG 145 lone 5 89 - 6 - 4948/2.9=1 HG LEU 72 - HG2 ARG 145 lone 5 92 - 6 - 4948/2.9=1 HG LEU 72 - HG3 ARG 145 lone 5 92 - 6 - 4948/2.9=1 HD3 LYS 86 - HG2 ARG 145 lone 3 89 - 4 - HD3 LYS 86 - HG3 ARG 145 lone 3 89 - 4 - HG LEU 72 - HG2 ARG 109 lone 3 74 - 4 - ~9275=1 HG2 PRO 57 - HG2 ARG 109 lone 1 74 - 2 - HD2 LYS 34 - HG2 ARG 109 lone 1 85 - 1 - HB3 ARG 55 - HG2 ARG 109 lone 1 71 - 1 - HB3 MET 59 - HG2 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HG3 ARG 145 lone 1 68 - 1 - HD3 LYS 34 - HG2 ARG 109 lone 1 71 - 1 - HB3 MET 59 - HG2 ARG 109 lone 0 51 - 0 - Peak 4965 from aliabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 * HG2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 HG2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 Peak 4966 from aliabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 HG2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 HG2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 Reference assignment not found: HG3 ARG 145 - HG2 ARG 145 Peak 4967 from aliabs.peaks (3.12, 1.57, 27.07 ppm; 3.15 A): 9 out of 21 assignments used, quality = 1.00: HD2 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 * HD2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 84 84 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 109 OK 66 86 - 77 - 3582/3.0=5, 3546/2.8=5...(71) HD3 ARG 145 + HG2 ARG 109 OK 66 86 - 77 - 3582/3.0=5, 3546/2.8=5...(71) HD2 ARG 109 + HG2 ARG 145 OK 64 100 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG3 ARG 145 OK 63 100 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HB3 PHE 106 - HG2 ARG 109 OK 33 77 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG3 ARG 145 OK 26 94 - 27 - ~10385=7, 2.5/10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 26 94 - 27 - ~10385=7, 2.5/10520=3...(12) HA ALA 105 - HG2 ARG 109 OK 11 64 - 17 - 10202/3.0=4, ~9211=3...(8) HB3 ASN 96 - HG2 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG3 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG2 ARG 109 lone 3 86 - 4 - HA ALA 105 - HG3 ARG 145 lone 3 81 - 4 - HA ALA 105 - HG2 ARG 145 lone 3 81 - 4 - HA TYR 119 - HG2 ARG 109 lone 1 64 - 2 - HA TYR 119 - HG3 ARG 145 lone 1 81 - 2 - HA TYR 119 - HG2 ARG 145 lone 1 81 - 2 - Peak 4968 from aliabs.peaks (3.12, 1.57, 27.07 ppm; 3.15 A): 9 out of 24 assignments used, quality = 1.00: * HD3 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 109 OK 66 86 - 77 - 3546/2.8=5, 3582/3.0=5...(71) HD2 ARG 145 + HG2 ARG 109 OK 65 86 - 76 - 3546/2.8=5, 3582/3.0=5...(71) HD2 ARG 109 + HG2 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG3 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HB3 PHE 106 - HG2 ARG 109 OK 34 79 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG3 ARG 145 OK 26 96 - 27 - ~10385=7, 2.5/10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 26 96 - 27 - ~10385=7, 2.5/10520=3...(12) HA ALA 105 - HG2 ARG 109 poor 10 60 - 16 - 10202/3.0=3, ~9211=3...(8) HB3 ASN 96 - HG2 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG3 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG2 ARG 109 lone 3 86 - 4 - HA VAL 80 - HG2 ARG 109 lone 3 47 - 6 - 3.6/8778=2 HA ALA 105 - HG3 ARG 145 lone 3 77 - 4 - HA ALA 105 - HG2 ARG 145 lone 3 77 - 4 - HA VAL 80 - HG2 ARG 145 lone 2 62 - 3 - HA VAL 80 - HG3 ARG 145 lone 2 62 - 3 - HA TYR 119 - HG2 ARG 109 lone 1 60 - 2 - HA TYR 119 - HG3 ARG 145 lone 1 77 - 2 - HA TYR 119 - HG2 ARG 145 lone 1 77 - 2 - Peak 4970 from aliabs.peaks (4.13, 1.57, 27.07 ppm; 3.38 A): 3 out of 6 assignments used, quality = 1.00: HA ARG 145 + HG2 ARG 145 OK 95 100 - 95 - 4.0=62, 4940/2.9=23...(35) * HA ARG 145 + HG3 ARG 145 OK 95 100 - 95 - 4.0=62, 4940/2.9=23...(35) HA ARG 145 + HG2 ARG 109 OK 54 86 - 63 - 4942=8, 4941/1.8=6...(33) HA THR 99 - HG2 ARG 145 lone 4 68 - 5 - 4946/2.9=1 HA THR 99 - HG3 ARG 145 lone 4 68 - 5 - 4946/2.9=1 HA THR 99 - HG2 ARG 109 lone 1 51 - 1 - Peak 4971 from aliabs.peaks (1.67, 1.57, 27.07 ppm; 2.57 A): 3 out of 42 assignments used, quality = 1.00: HB2 ARG 145 + HG2 ARG 145 OK 90 100 - 90 - 2.9=71, 4950/1.8=8...(38) * HB2 ARG 145 + HG3 ARG 145 OK 90 100 - 90 - 2.9=71, 4949/1.8=8...(38) HB2 ARG 145 + HG2 ARG 109 OK 54 86 - 63 - 4950=9, 1.8/4957=5...(28) HG2 ARG 124 - HG2 ARG 145 OK 25 68 - 37 - 4955/2.9=4, 4227=3...(12) HG2 ARG 124 - HG3 ARG 145 OK 24 68 - 36 - 4955/2.9=4, 4227=2...(13) HG2 ARG 124 - HG2 ARG 109 OK 20 51 - 39 - 4227/1.8=3, ~4237=2...(23) HG13 ILE 136 - HG2 ARG 109 OK 14 85 - 17 - ~9668=2, ~10333=2...(8) HG2 ARG 89 - HG2 ARG 109 OK 13 84 - 16 - 2879/2.8=2, ~3561=1...(7) HB VAL 71 - HG2 ARG 145 lone 9 100 - 9 - 4955/2.9=1, ~8505=1 HB VAL 71 - HG3 ARG 145 lone 9 100 - 9 - 4955/2.9=1, ~8505=1 HB2 PRO 57 - HG2 ARG 145 poor 9 81 - 11 - 4955/2.9=1 HB2 PRO 57 - HG3 ARG 145 poor 9 81 - 11 - 4955/2.9=1 HB2 LEU 95 - HG2 ARG 145 lone 4 100 - 4 - HB2 LEU 95 - HG3 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HG3 ARG 145 lone 4 100 - 4 - HG2 ARG 89 - HG2 ARG 145 lone 4 100 - 4 - HG13 ILE 136 - HG2 ARG 145 lone 3 100 - 3 - HG13 ILE 136 - HG3 ARG 145 lone 3 100 - 3 - HD2 LYS 48 - HG2 ARG 145 lone 3 100 - 3 - HD2 LYS 48 - HG3 ARG 145 lone 3 100 - 3 - HD3 LYS 48 - HG2 ARG 145 lone 3 99 - 3 - HD3 LYS 48 - HG3 ARG 145 lone 3 99 - 3 - HB2 LEU 95 - HG2 ARG 109 lone 2 84 - 3 - HD3 LYS 93 - HG2 ARG 145 lone 2 99 - 2 - HD3 LYS 93 - HG3 ARG 145 lone 2 99 - 2 - HD3 LYS 93 - HG2 ARG 109 lone 2 83 - 2 - HB2 MET 68 - HG2 ARG 145 lone 2 100 - 2 - HB2 MET 68 - HG3 ARG 145 lone 2 100 - 2 - HG LEU 97 - HG2 ARG 109 lone 1 47 - 3 - ~9126=2 HG3 ARG 141 - HG2 ARG 145 lone 1 68 - 2 - HG3 ARG 141 - HG3 ARG 145 lone 1 68 - 2 - HG2 ARG 140 - HG2 ARG 145 lone 1 68 - 2 - HG2 ARG 140 - HG3 ARG 145 lone 1 68 - 2 - HD3 LYS 48 - HG2 ARG 109 lone 1 83 - 1 - HD2 LYS 48 - HG2 ARG 109 lone 1 84 - 1 - HB VAL 71 - HG2 ARG 109 lone 1 84 - 1 - HG LEU 97 - HG2 ARG 145 lone 1 62 - 2 - HG LEU 97 - HG3 ARG 145 lone 1 62 - 2 - HB2 MET 68 - HG2 ARG 109 lone 1 84 - 1 - HB2 PRO 57 - HG2 ARG 109 lone 1 64 - 1 - HG2 ARG 140 - HG2 ARG 109 lone 0 51 - 1 - HG3 ARG 141 - HG2 ARG 109 lone 0 51 - 1 - Peak 4972 from aliabs.peaks (1.79, 1.57, 27.07 ppm; 2.82 A): 3 out of 24 assignments used, quality = 1.00: HB3 ARG 145 + HG2 ARG 145 OK 99 100 - 99 - 2.9=94, 4940/4.0=10...(38) * HB3 ARG 145 + HG3 ARG 145 OK 99 100 - 99 - 2.9=94, 4940/4.0=10...(38) HB3 ARG 145 + HG2 ARG 109 OK 61 86 - 71 - 4957=9, 1.8/4950=7...(44) HG2 PRO 57 - HG2 ARG 145 OK 12 92 - 13 - 4948/2.9=2, 4940/4.0=2 HG2 PRO 57 - HG3 ARG 145 OK 12 92 - 13 - 4948/2.9=2, 4940/4.0=2 HD3 LYS 86 - HG2 ARG 109 poor 8 71 - 12 - 2740/2.8=1 HD2 LYS 34 - HG2 ARG 145 lone 7 100 - 7 - 4948/2.9=1 HD2 LYS 34 - HG3 ARG 145 lone 7 100 - 6 - 4948/2.9=1 HB3 ARG 55 - HG2 ARG 145 lone 6 89 - 6 - HB3 ARG 55 - HG3 ARG 145 lone 6 89 - 6 - HD3 LYS 34 - HG2 ARG 145 lone 6 89 - 6 - 4948/2.9=1 HD3 LYS 34 - HG3 ARG 145 lone 5 89 - 6 - 4948/2.9=1 HG LEU 72 - HG2 ARG 145 lone 5 92 - 6 - 4948/2.9=1 HG LEU 72 - HG3 ARG 145 lone 5 92 - 6 - 4948/2.9=1 HD3 LYS 86 - HG2 ARG 145 lone 3 89 - 4 - HD3 LYS 86 - HG3 ARG 145 lone 3 89 - 4 - HG LEU 72 - HG2 ARG 109 lone 3 74 - 4 - ~9275=1 HG2 PRO 57 - HG2 ARG 109 lone 1 74 - 2 - HD2 LYS 34 - HG2 ARG 109 lone 1 85 - 1 - HB3 ARG 55 - HG2 ARG 109 lone 1 71 - 1 - HB3 MET 59 - HG2 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HG3 ARG 145 lone 1 68 - 1 - HD3 LYS 34 - HG2 ARG 109 lone 1 71 - 1 - HB3 MET 59 - HG2 ARG 109 lone 0 51 - 0 - Peak 4973 from aliabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 HG2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 HG2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 Reference assignment not found: HG2 ARG 145 - HG3 ARG 145 Peak 4974 from aliabs.peaks (1.57, 1.57, 27.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 HG2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 HG2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 Peak 4975 from aliabs.peaks (3.12, 1.57, 27.07 ppm; 3.15 A): 9 out of 21 assignments used, quality = 1.00: * HD2 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 84 84 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 109 OK 66 86 - 77 - 3582/3.0=5, 3546/2.8=5...(71) HD3 ARG 145 + HG2 ARG 109 OK 66 86 - 77 - 3582/3.0=5, 3546/2.8=5...(71) HD2 ARG 109 + HG2 ARG 145 OK 64 100 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG3 ARG 145 OK 63 100 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HB3 PHE 106 - HG2 ARG 109 OK 33 77 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG3 ARG 145 OK 26 94 - 27 - ~10385=7, 2.5/10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 26 94 - 27 - ~10385=7, 2.5/10520=3...(12) HA ALA 105 - HG2 ARG 109 OK 11 64 - 17 - 10202/3.0=4, ~9211=3...(8) HB3 ASN 96 - HG2 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG3 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG2 ARG 109 lone 3 86 - 4 - HA ALA 105 - HG3 ARG 145 lone 3 81 - 4 - HA ALA 105 - HG2 ARG 145 lone 3 81 - 4 - HA TYR 119 - HG2 ARG 109 lone 1 64 - 2 - HA TYR 119 - HG3 ARG 145 lone 1 81 - 2 - HA TYR 119 - HG2 ARG 145 lone 1 81 - 2 - Peak 4976 from aliabs.peaks (3.12, 1.57, 27.07 ppm; 3.15 A): 9 out of 24 assignments used, quality = 1.00: HD3 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 * HD3 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG3 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 145 + HG2 ARG 145 OK 100 100 - 100 - 3.0=100 HD2 ARG 109 + HG2 ARG 109 OK 83 83 - 100 - 3.0=100 HD3 ARG 145 + HG2 ARG 109 OK 66 86 - 77 - 3546/2.8=5, 3582/3.0=5...(71) HD2 ARG 145 + HG2 ARG 109 OK 65 86 - 76 - 3546/2.8=5, 3582/3.0=5...(71) HD2 ARG 109 + HG2 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HD2 ARG 109 + HG3 ARG 145 OK 63 99 - 64 - 3.0/3562=6, 4959/2.9=5...(37) HB3 PHE 106 - HG2 ARG 109 OK 34 79 - 43 - ~10732=5, ~11591=4...(23) HB3 PHE 106 - HG3 ARG 145 OK 26 96 - 27 - ~10385=7, 2.5/10520=3...(12) HB3 PHE 106 - HG2 ARG 145 OK 26 96 - 27 - ~10385=7, 2.5/10520=3...(12) HA ALA 105 - HG2 ARG 109 poor 10 60 - 16 - 10202/3.0=3, ~9211=3...(8) HB3 ASN 96 - HG2 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG3 ARG 145 lone 6 100 - 6 - HB3 ASN 96 - HG2 ARG 109 lone 3 86 - 4 - HA VAL 80 - HG2 ARG 109 lone 3 47 - 6 - 3.6/8778=2 HA ALA 105 - HG3 ARG 145 lone 3 77 - 4 - HA ALA 105 - HG2 ARG 145 lone 3 77 - 4 - HA VAL 80 - HG2 ARG 145 lone 2 62 - 3 - HA VAL 80 - HG3 ARG 145 lone 2 62 - 3 - HA TYR 119 - HG2 ARG 109 lone 1 60 - 2 - HA TYR 119 - HG3 ARG 145 lone 1 77 - 2 - HA TYR 119 - HG2 ARG 145 lone 1 77 - 2 - Peak 4978 from aliabs.peaks (4.13, 3.12, 43.40 ppm; 4.40 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 145 + HD2 ARG 145 OK 98 100 - 98 - 5.3=56, 4940/3.4=29...(35) HA ARG 145 + HD3 ARG 145 OK 98 100 - 98 - 5.3=56, 4940/3.4=29...(35) HA ARG 145 + HD2 ARG 109 OK 66 96 - 69 - 4943=10, 3.0/4959=9...(28) HA THR 99 - HD2 ARG 145 poor 7 68 - 10 - 3.0/10386=2, 4946/3.4=1...(5) HA THR 99 - HD3 ARG 145 poor 7 67 - 10 - 3.0/10386=2, 4946/3.4=1...(5) HA THR 99 - HD2 ARG 109 lone 2 61 - 3 - Peak 4979 from aliabs.peaks (1.67, 3.12, 43.40 ppm; 3.47 A): 3 out of 42 assignments used, quality = 1.00: * HB2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD2 ARG 109 OK 69 96 - 73 - 4951=10, 1.8/4959=8...(37) HG13 ILE 136 - HD2 ARG 109 OK 38 95 - 40 - ~9668=8, ~10333=6...(10) HG2 ARG 124 - HD2 ARG 109 OK 34 61 - 56 - ~4237=7, ~4237=7...(27) HG2 ARG 124 - HD2 ARG 145 OK 33 68 - 49 - 4955/3.4=6, 4963/3.0=3...(31) HG2 ARG 124 - HD3 ARG 145 OK 33 67 - 49 - 4955/3.4=6, 4963/3.0=3...(32) HB VAL 71 - HD2 ARG 145 OK 18 100 - 19 - ~8505=3, ~8505=2...(7) HB VAL 71 - HD3 ARG 145 OK 18 99 - 18 - ~8505=3, ~8505=2...(7) HB2 PRO 57 - HD2 ARG 145 OK 16 81 - 19 - 4955/3.4=2, 2.3/4988=1...(4) HB2 PRO 57 - HD3 ARG 145 OK 16 81 - 19 - 4955/3.4=2, 2.3/4988=1...(4) HG2 ARG 89 - HD2 ARG 109 OK 14 94 - 14 - 2879/3.6=3, ~3579=2...(7) HB2 LEU 95 - HD3 ARG 145 OK 13 99 - 14 - 3.0/11646=2, ~11646=2...(4) HB2 LEU 95 - HD2 ARG 145 OK 13 100 - 14 - 3.0/11646=2, ~11646=2...(4) HG13 ILE 136 - HD3 ARG 145 lone 9 100 - 9 - ~10335=1, 2.3/10335=1 HG13 ILE 136 - HD2 ARG 145 lone 9 100 - 9 - 2.3/10335=1, ~10335=1 HB2 LEU 95 - HD2 ARG 109 lone 8 94 - 8 - 3.0/11646=1, ~9275=1 HG2 ARG 89 - HD2 ARG 145 lone 7 100 - 7 - HG2 ARG 89 - HD3 ARG 145 lone 7 99 - 7 - HD2 LYS 48 - HD2 ARG 145 lone 5 100 - 5 - HD2 LYS 48 - HD3 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD2 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD3 ARG 145 lone 5 99 - 5 - HB2 MET 68 - HD2 ARG 145 lone 4 100 - 4 - HB2 MET 68 - HD3 ARG 145 lone 4 99 - 4 - HD3 LYS 93 - HD2 ARG 145 lone 4 99 - 4 - HD3 LYS 93 - HD3 ARG 145 lone 4 99 - 4 - HG LEU 97 - HD2 ARG 109 lone 4 56 - 6 - 2.1/9126=2, ~10237=2 HD3 LYS 93 - HD2 ARG 109 lone 3 93 - 3 - HG LEU 97 - HD2 ARG 145 lone 3 62 - 4 - HB VAL 71 - HD2 ARG 109 lone 3 94 - 3 - HG LEU 97 - HD3 ARG 145 lone 3 62 - 4 - HG2 ARG 140 - HD2 ARG 145 lone 2 68 - 4 - HG2 ARG 140 - HD3 ARG 145 lone 2 67 - 3 - HB2 MET 68 - HD2 ARG 109 lone 2 94 - 2 - HB2 PRO 57 - HD2 ARG 109 lone 2 74 - 3 - HG3 ARG 141 - HD2 ARG 145 lone 2 68 - 3 - HD2 LYS 48 - HD2 ARG 109 lone 2 94 - 2 - HG3 ARG 141 - HD3 ARG 145 lone 2 67 - 3 - HD3 LYS 48 - HD2 ARG 109 lone 2 93 - 2 - HG2 ARG 140 - HD2 ARG 109 lone 2 61 - 3 - HG3 ARG 141 - HD2 ARG 109 lone 1 61 - 1 - Peak 4980 from aliabs.peaks (1.79, 3.12, 43.40 ppm; 3.45 A): 3 out of 24 assignments used, quality = 1.00: * HB3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD2 ARG 109 OK 69 96 - 72 - 4959=11, 1.8/4951=8...(37) HG2 PRO 57 - HD2 ARG 145 OK 16 92 - 17 - 4948/3.4=3, 4940/5.3=1...(4) HG2 PRO 57 - HD3 ARG 145 OK 16 91 - 17 - 4948/3.4=3, 4940/5.3=1...(4) HD2 LYS 34 - HD2 ARG 145 lone 9 100 - 8 - 4948/3.4=1 HD2 LYS 34 - HD3 ARG 145 lone 9 100 - 8 - 4948/3.4=1 HD3 LYS 34 - HD2 ARG 145 lone 7 89 - 8 - 4948/3.4=1 HD3 LYS 34 - HD3 ARG 145 lone 7 88 - 8 - 4948/3.4=1 HG LEU 72 - HD2 ARG 145 lone 7 92 - 8 - 4948/3.4=1 HG LEU 72 - HD3 ARG 145 lone 7 91 - 8 - 4948/3.4=1 HD3 LYS 86 - HD2 ARG 109 lone 7 82 - 8 - 2740/3.6=2 HG LEU 72 - HD2 ARG 109 lone 6 85 - 7 - ~9275=3, ~9275=2 HB3 ARG 55 - HD2 ARG 145 lone 6 89 - 6 - HB3 ARG 55 - HD3 ARG 145 lone 6 88 - 6 - HD3 LYS 86 - HD2 ARG 145 lone 4 89 - 5 - HD3 LYS 86 - HD3 ARG 145 lone 4 88 - 5 - HG2 PRO 57 - HD2 ARG 109 lone 2 85 - 3 - HB3 ARG 55 - HD2 ARG 109 lone 1 82 - 2 - HD2 LYS 34 - HD2 ARG 109 lone 1 95 - 1 - HD3 LYS 34 - HD2 ARG 109 lone 1 82 - 1 - HB3 MET 59 - HD2 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HD3 ARG 145 lone 1 67 - 1 - HB3 MET 59 - HD2 ARG 109 lone 0 61 - 1 - Peak 4981 from aliabs.peaks (1.57, 3.12, 43.40 ppm; 2.94 A): 12 out of 30 assignments used, quality = 1.00: HG3 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) * HG2 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) HG3 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG2 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG2 ARG 109 + HD2 ARG 109 OK 90 93 - 96 - 3.0=95, 1.8/3564=11...(9) HG2 ARG 109 + HD2 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG2 ARG 109 + HD3 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG3 ARG 109 + HD2 ARG 109 OK 67 70 - 96 - 3.0=95, 3561/3.6=6...(9) HG3 ARG 109 + HD2 ARG 145 OK 59 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 109 + HD3 ARG 145 OK 58 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 145 + HD2 ARG 109 OK 56 96 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HG2 ARG 145 + HD2 ARG 109 OK 56 96 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HD2 LYS 85 - HD2 ARG 109 OK 24 96 - 26 - ~10238=2, 3562/3.0=2...(10) HD3 LYS 85 - HD2 ARG 109 OK 20 85 - 24 - ~10238=2, 3562/3.0=2...(10) HB2 LEU 66 - HD2 ARG 109 OK 18 56 - 32 - ~9274=3, ~9274=3...(14) HB2 LEU 126 - HD2 ARG 109 OK 16 95 - 16 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 9 100 - 8 - HD2 LYS 85 - HD3 ARG 145 lone 9 100 - 8 - HD3 LYS 85 - HD2 ARG 145 lone 8 92 - 8 - HD3 LYS 85 - HD3 ARG 145 lone 8 91 - 8 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - HG2 ARG 55 - HD2 ARG 145 lone 5 94 - 5 - HG2 ARG 55 - HD3 ARG 145 lone 5 94 - 5 - HG3 ARG 55 - HD2 ARG 145 lone 5 89 - 5 - HG3 ARG 55 - HD3 ARG 145 lone 5 88 - 5 - HB2 LEU 66 - HD2 ARG 145 lone 4 62 - 6 - HB2 LEU 66 - HD3 ARG 145 lone 4 62 - 6 - HG2 ARG 55 - HD2 ARG 109 lone 2 87 - 2 - HG3 ARG 55 - HD2 ARG 109 lone 2 82 - 2 - Peak 4982 from aliabs.peaks (1.57, 3.12, 43.40 ppm; 2.94 A): 12 out of 30 assignments used, quality = 1.00: * HG3 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) HG2 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) HG3 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG2 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG2 ARG 109 + HD2 ARG 109 OK 90 93 - 96 - 3.0=95, 1.8/3564=11...(9) HG2 ARG 109 + HD2 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG2 ARG 109 + HD3 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG3 ARG 109 + HD2 ARG 109 OK 67 70 - 96 - 3.0=95, 3561/3.6=6...(9) HG3 ARG 109 + HD2 ARG 145 OK 59 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 109 + HD3 ARG 145 OK 58 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 145 + HD2 ARG 109 OK 56 96 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HG2 ARG 145 + HD2 ARG 109 OK 56 96 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HD2 LYS 85 - HD2 ARG 109 OK 24 96 - 26 - ~10238=2, 3562/3.0=2...(10) HD3 LYS 85 - HD2 ARG 109 OK 20 85 - 24 - ~10238=2, 3562/3.0=2...(10) HB2 LEU 66 - HD2 ARG 109 OK 18 56 - 32 - ~9274=3, ~9274=3...(14) HB2 LEU 126 - HD2 ARG 109 OK 16 95 - 16 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 9 100 - 8 - HD2 LYS 85 - HD3 ARG 145 lone 9 100 - 8 - HD3 LYS 85 - HD2 ARG 145 lone 8 92 - 8 - HD3 LYS 85 - HD3 ARG 145 lone 8 91 - 8 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - HG2 ARG 55 - HD2 ARG 145 lone 5 94 - 5 - HG2 ARG 55 - HD3 ARG 145 lone 5 94 - 5 - HG3 ARG 55 - HD2 ARG 145 lone 5 89 - 5 - HG3 ARG 55 - HD3 ARG 145 lone 5 88 - 5 - HB2 LEU 66 - HD2 ARG 145 lone 4 62 - 6 - HB2 LEU 66 - HD3 ARG 145 lone 4 62 - 6 - HG2 ARG 55 - HD2 ARG 109 lone 2 87 - 2 - HG3 ARG 55 - HD2 ARG 109 lone 2 82 - 2 - Peak 4983 from aliabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 94 94 - 100 Peak 4984 from aliabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 93 93 - 100 Reference assignment not found: HD3 ARG 145 - HD2 ARG 145 Peak 4986 from aliabs.peaks (4.13, 3.12, 43.40 ppm; 4.40 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 145 + HD3 ARG 145 OK 98 100 - 98 - 5.3=56, 4940/3.4=29...(35) HA ARG 145 + HD2 ARG 145 OK 98 100 - 98 - 5.3=56, 4940/3.4=29...(35) HA ARG 145 + HD2 ARG 109 OK 64 93 - 69 - 4943=10, 3.0/4959=9...(28) HA THR 99 - HD3 ARG 145 poor 7 68 - 10 - 3.0/11646=2, 4946/3.4=1...(5) HA THR 99 - HD2 ARG 145 poor 7 67 - 10 - 3.0/10386=2, 4946/3.4=1...(5) HA THR 99 - HD2 ARG 109 lone 2 58 - 3 - Peak 4987 from aliabs.peaks (1.67, 3.12, 43.40 ppm; 3.47 A): 3 out of 42 assignments used, quality = 1.00: * HB2 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB2 ARG 145 + HD2 ARG 109 OK 67 93 - 72 - 4951=10, 1.8/4959=8...(37) HG13 ILE 136 - HD2 ARG 109 OK 36 92 - 39 - ~9668=8, ~10333=6...(10) HG2 ARG 124 - HD3 ARG 145 OK 33 68 - 49 - 4955/3.4=6, 4963/3.0=3...(32) HG2 ARG 124 - HD2 ARG 145 OK 32 67 - 49 - 4955/3.4=6, 4963/3.0=3...(31) HG2 ARG 124 - HD2 ARG 109 OK 32 58 - 56 - ~4237=7, ~4237=7...(27) HB VAL 71 - HD2 ARG 145 OK 19 99 - 19 - ~8505=3, ~8505=2...(7) HB VAL 71 - HD3 ARG 145 OK 18 100 - 19 - ~8505=3, 2.1/8505=2...(7) HB2 PRO 57 - HD3 ARG 145 OK 16 81 - 19 - 4955/3.4=2, 2.3/4988=1...(4) HB2 PRO 57 - HD2 ARG 145 OK 16 81 - 19 - 4955/3.4=2, 2.3/4988=1...(4) HB2 LEU 95 - HD3 ARG 145 OK 14 100 - 14 - 3.0/11646=2, ~11646=2...(4) HB2 LEU 95 - HD2 ARG 145 OK 13 99 - 13 - 3.0/11646=2, ~11646=2...(4) HG2 ARG 89 - HD2 ARG 109 OK 13 91 - 14 - 2879/3.6=3, ~3579=2...(7) HG13 ILE 136 - HD3 ARG 145 lone 9 100 - 9 - ~10335=1, 2.3/10335=1 HG13 ILE 136 - HD2 ARG 145 lone 9 100 - 9 - ~10335=1, 2.3/10335=1 HB2 LEU 95 - HD2 ARG 109 lone 7 91 - 8 - 3.0/11646=1, ~9275=1 HG2 ARG 89 - HD3 ARG 145 lone 7 100 - 7 - HG2 ARG 89 - HD2 ARG 145 lone 7 99 - 7 - HD2 LYS 48 - HD3 ARG 145 lone 5 100 - 5 - HD2 LYS 48 - HD2 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD3 ARG 145 lone 5 99 - 5 - HD3 LYS 48 - HD2 ARG 145 lone 5 99 - 5 - HB2 MET 68 - HD3 ARG 145 lone 4 100 - 4 - HB2 MET 68 - HD2 ARG 145 lone 4 99 - 4 - HD3 LYS 93 - HD3 ARG 145 lone 4 99 - 3 - HD3 LYS 93 - HD2 ARG 145 lone 4 99 - 3 - HG LEU 97 - HD2 ARG 109 lone 3 53 - 6 - 2.1/9126=2, ~10237=2 HD3 LYS 93 - HD2 ARG 109 lone 3 90 - 3 - HG LEU 97 - HD2 ARG 145 lone 3 62 - 4 - HG LEU 97 - HD3 ARG 145 lone 3 62 - 4 - HB VAL 71 - HD2 ARG 109 lone 3 91 - 3 - HG2 ARG 140 - HD3 ARG 145 lone 2 68 - 3 - HG2 ARG 140 - HD2 ARG 145 lone 2 67 - 4 - HB2 MET 68 - HD2 ARG 109 lone 2 91 - 2 - HG3 ARG 141 - HD3 ARG 145 lone 2 68 - 3 - HG3 ARG 141 - HD2 ARG 145 lone 2 67 - 3 - HB2 PRO 57 - HD2 ARG 109 lone 2 71 - 3 - HD2 LYS 48 - HD2 ARG 109 lone 2 91 - 2 - HD3 LYS 48 - HD2 ARG 109 lone 2 90 - 2 - HG2 ARG 140 - HD2 ARG 109 lone 1 58 - 2 - HG3 ARG 141 - HD2 ARG 109 lone 1 58 - 1 - Peak 4988 from aliabs.peaks (1.79, 3.12, 43.40 ppm; 3.45 A): 3 out of 24 assignments used, quality = 1.00: * HB3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD2 ARG 145 OK 100 100 - 100 - 3.4=100 HB3 ARG 145 + HD2 ARG 109 OK 67 93 - 72 - 4959=11, 1.8/4951=8...(37) HG2 PRO 57 - HD3 ARG 145 OK 16 92 - 17 - 4948/3.4=3, 4940/5.3=1...(4) HG2 PRO 57 - HD2 ARG 145 OK 16 91 - 17 - 4948/3.4=3, 4940/5.3=1...(4) HD2 LYS 34 - HD3 ARG 145 lone 9 100 - 8 - 4948/3.4=1 HD2 LYS 34 - HD2 ARG 145 lone 9 100 - 8 - 4948/3.4=1 HD3 LYS 34 - HD3 ARG 145 lone 7 89 - 8 - 4948/3.4=1 HD3 LYS 34 - HD2 ARG 145 lone 7 88 - 8 - 4948/3.4=1 HG LEU 72 - HD3 ARG 145 lone 7 92 - 8 - 4948/3.4=1 HG LEU 72 - HD2 ARG 145 lone 7 91 - 8 - 4948/3.4=1 HD3 LYS 86 - HD2 ARG 109 lone 6 78 - 8 - 2740/3.6=2 HG LEU 72 - HD2 ARG 109 lone 6 81 - 7 - ~9275=3, ~9275=2 HB3 ARG 55 - HD3 ARG 145 lone 6 89 - 6 - HB3 ARG 55 - HD2 ARG 145 lone 6 88 - 6 - HD3 LYS 86 - HD3 ARG 145 lone 4 89 - 5 - HD3 LYS 86 - HD2 ARG 145 lone 4 88 - 5 - HG2 PRO 57 - HD2 ARG 109 lone 2 81 - 3 - HD2 LYS 34 - HD2 ARG 109 lone 1 92 - 1 - HB3 ARG 55 - HD2 ARG 109 lone 1 78 - 2 - HD3 LYS 34 - HD2 ARG 109 lone 1 78 - 1 - HB3 MET 59 - HD3 ARG 145 lone 1 68 - 1 - HB3 MET 59 - HD2 ARG 145 lone 1 67 - 1 - HB3 MET 59 - HD2 ARG 109 lone 0 58 - 1 - Peak 4989 from aliabs.peaks (1.57, 3.12, 43.40 ppm; 2.94 A): 12 out of 30 assignments used, quality = 1.00: HG3 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) * HG2 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG3 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) HG2 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG2 ARG 109 + HD2 ARG 109 OK 87 90 - 96 - 3.0=95, 1.8/3564=11...(9) HG2 ARG 109 + HD3 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG2 ARG 109 + HD2 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG3 ARG 109 + HD2 ARG 109 OK 64 67 - 96 - 3.0=95, 3561/3.6=6...(9) HG3 ARG 109 + HD3 ARG 145 OK 58 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 109 + HD2 ARG 145 OK 58 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 145 + HD2 ARG 109 OK 55 93 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HG2 ARG 145 + HD2 ARG 109 OK 55 93 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HD2 LYS 85 - HD2 ARG 109 OK 24 93 - 26 - ~10238=2, 3562/3.0=2...(10) HD3 LYS 85 - HD2 ARG 109 OK 20 81 - 24 - ~10238=2, 3562/3.0=2...(10) HB2 LEU 66 - HD2 ARG 109 OK 17 53 - 32 - ~9274=3, ~9274=3...(14) HB2 LEU 126 - HD2 ARG 109 OK 15 92 - 16 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 8 100 - 8 - HD2 LYS 85 - HD3 ARG 145 lone 8 100 - 8 - HD3 LYS 85 - HD3 ARG 145 lone 8 92 - 8 - HD3 LYS 85 - HD2 ARG 145 lone 8 91 - 8 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - HG2 ARG 55 - HD3 ARG 145 lone 5 94 - 5 - HG2 ARG 55 - HD2 ARG 145 lone 5 94 - 5 - HG3 ARG 55 - HD3 ARG 145 lone 5 89 - 5 - HG3 ARG 55 - HD2 ARG 145 lone 4 88 - 5 - HB2 LEU 66 - HD3 ARG 145 lone 4 62 - 6 - HB2 LEU 66 - HD2 ARG 145 lone 4 62 - 6 - HG2 ARG 55 - HD2 ARG 109 lone 2 84 - 2 - HG3 ARG 55 - HD2 ARG 109 lone 2 78 - 2 - Peak 4990 from aliabs.peaks (1.57, 3.12, 43.40 ppm; 2.94 A): 12 out of 30 assignments used, quality = 1.00: * HG3 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) HG2 ARG 145 + HD3 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG3 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4949/3.4=6...(24) HG2 ARG 145 + HD2 ARG 145 OK 99 100 - 99 - 3.0=98, 4950/3.4=6...(24) HG2 ARG 109 + HD2 ARG 109 OK 87 90 - 96 - 3.0=95, 1.8/3564=11...(9) HG2 ARG 109 + HD3 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG2 ARG 109 + HD2 ARG 145 OK 72 99 - 73 - 1.8/3564=8, ~3564=5...(51) HG3 ARG 109 + HD2 ARG 109 OK 64 67 - 96 - 3.0=95, 3561/3.6=6...(9) HG3 ARG 109 + HD3 ARG 145 OK 58 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 109 + HD2 ARG 145 OK 58 77 - 76 - 3564=8, 3564/1.8=6...(65) HG3 ARG 145 + HD2 ARG 109 OK 55 93 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HG2 ARG 145 + HD2 ARG 109 OK 55 93 - 59 - 3562/3.0=5, 2.9/4959=4...(36) HD2 LYS 85 - HD2 ARG 109 OK 24 93 - 26 - ~10238=2, 3562/3.0=2...(10) HD3 LYS 85 - HD2 ARG 109 OK 20 81 - 24 - ~10238=2, 3562/3.0=2...(10) HB2 LEU 66 - HD2 ARG 109 OK 17 53 - 32 - ~9274=3, ~9274=3...(14) HB2 LEU 126 - HD2 ARG 109 OK 15 92 - 16 - ~10254=3, ~11078=2...(5) HD2 LYS 85 - HD2 ARG 145 lone 8 100 - 8 - HD2 LYS 85 - HD3 ARG 145 lone 8 100 - 8 - HD3 LYS 85 - HD3 ARG 145 lone 8 92 - 8 - HD3 LYS 85 - HD2 ARG 145 lone 8 91 - 8 - HB2 LEU 126 - HD2 ARG 145 lone 6 100 - 6 - HB2 LEU 126 - HD3 ARG 145 lone 6 100 - 6 - HG2 ARG 55 - HD3 ARG 145 lone 5 94 - 5 - HG2 ARG 55 - HD2 ARG 145 lone 5 94 - 5 - HG3 ARG 55 - HD3 ARG 145 lone 5 89 - 5 - HG3 ARG 55 - HD2 ARG 145 lone 4 88 - 5 - HB2 LEU 66 - HD3 ARG 145 lone 4 62 - 6 - HB2 LEU 66 - HD2 ARG 145 lone 4 62 - 6 - HG2 ARG 55 - HD2 ARG 109 lone 2 84 - 2 - HG3 ARG 55 - HD2 ARG 109 lone 2 78 - 2 - Peak 4991 from aliabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 91 91 - 100 Reference assignment not found: HD2 ARG 145 - HD3 ARG 145 Peak 4992 from aliabs.peaks (3.12, 3.12, 43.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 145 + HD3 ARG 145 OK 100 100 - 100 HD2 ARG 145 + HD2 ARG 145 OK 100 100 - 100 HD2 ARG 109 + HD2 ARG 109 OK 90 90 - 100 Peak 5504 from aliabs.peaks (6.87, 6.87, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 14 + HD2 HIS 14 OK 100 100 - 100 Peak 5529 from aliabs.peaks (7.29, 7.29, 114.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 17 + HZ2 TRP 17 OK 100 100 - 100 Peak 5533 from aliabs.peaks (6.72, 7.00, 124.28 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 2.4=100 HZ PHE 43 - HH2 TRP 17 poor 8 77 - 10 - 4578=2, ~5525=2, ~4525=2...(6) Peak 5534 from aliabs.peaks (7.29, 7.00, 124.28 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HZ2 TRP 17 + HH2 TRP 17 OK 100 100 - 100 - 2.5=100 QE PHE 106 - HH2 TRP 17 OK 12 100 - 12 - 4778/2.4=2, ~5649=2...(7) Peak 5535 from aliabs.peaks (7.00, 7.00, 124.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 17 + HH2 TRP 17 OK 100 100 - 100 Peak 5540 from aliabs.peaks (6.94, 6.94, 131.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + QD PHE 23 OK 100 100 - 100 Peak 5541 from aliabs.peaks (6.61, 6.94, 131.34 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + QD PHE 23 OK 100 100 - 100 - 2.2=100 Peak 5542 from aliabs.peaks (6.87, 6.94, 131.34 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 23 + QD PHE 23 OK 100 100 - 100 - 3.8=100 HD2 HIS 14 - QD PHE 23 lone 4 100 - 4 - Peak 5543 from aliabs.peaks (6.94, 6.61, 130.37 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 23 + QE PHE 23 OK 100 100 - 100 - 2.2=100 QD TYR 112 - QE PHE 23 OK 31 62 - 49 - ~10560=12, ~3669=12...(7) HD2 HIS 10 - QE PHE 23 lone 4 100 - 4 - 8238/10635=2 Peak 5544 from aliabs.peaks (6.61, 6.61, 130.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + QE PHE 23 OK 100 100 - 100 Peak 5545 from aliabs.peaks (6.87, 6.61, 130.37 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 23 + QE PHE 23 OK 100 100 - 100 - 2.2=100 HD2 HIS 14 - QE PHE 23 lone 5 100 - 5 - 5542/2.2=2 Peak 5548 from aliabs.peaks (6.87, 6.87, 129.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 23 + HZ PHE 23 OK 100 100 - 100 Peak 5555 from aliabs.peaks (6.68, 6.68, 118.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QE TYR 27 + QE TYR 27 OK 93 93 - 100 Peak 5559 from aliabs.peaks (6.97, 6.97, 130.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 38 + QD PHE 38 OK 100 100 - 100 Peak 5560 from aliabs.peaks (6.29, 6.97, 130.78 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 38 + QD PHE 38 OK 100 100 - 100 - 2.2=100 Peak 5561 from aliabs.peaks (6.23, 6.97, 130.78 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 38 + QD PHE 38 OK 100 100 - 100 - 3.8=100 QE TYR 119 - QD PHE 38 lone 2 94 - 2 - 11641/8525=1 Peak 5562 from aliabs.peaks (6.97, 6.29, 131.11 ppm; 6.27 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 38 + QE PHE 38 OK 100 100 - 100 - 2.2=100 QE PHE 43 - QE PHE 38 OK 33 81 - 40 - 8131/8129=7, 4745/9784=6...(10) Peak 5563 from aliabs.peaks (6.29, 6.29, 131.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 38 + QE PHE 38 OK 100 100 - 100 Peak 5571 from aliabs.peaks (7.34, 7.34, 131.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 43 + QD PHE 43 OK 100 100 - 100 Peak 5575 from aliabs.peaks (6.99, 6.99, 129.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 43 + QE PHE 43 OK 100 100 - 100 Peak 5579 from aliabs.peaks (6.71, 6.71, 128.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 43 + HZ PHE 43 OK 100 100 - 100 Peak 5583 from aliabs.peaks (7.22, 7.22, 132.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + QD PHE 45 OK 100 100 - 100 Peak 5584 from aliabs.peaks (7.11, 7.22, 132.28 ppm; 5.43 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 45 + QD PHE 45 OK 100 100 - 100 - 2.2=100 QD PHE 106 - QD PHE 45 OK 21 68 - 31 - 5590/3.8=8, ~4645=6...(12) H MET 68 - QD PHE 45 lone 4 68 - 6 - ~1949=3, 8441/9880=1 Peak 5586 from aliabs.peaks (7.22, 7.11, 130.50 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 45 + QE PHE 45 OK 100 100 - 100 - 2.2=100 H GLU 37 - QE PHE 45 OK 34 100 - 34 - 1027/4.4=7, 4589/2.2=6...(9) Peak 5587 from aliabs.peaks (7.11, 7.11, 130.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QE PHE 45 OK 100 100 - 100 Peak 5588 from aliabs.peaks (7.01, 7.11, 130.50 ppm; 4.86 A): 1 out of 4 assignments used, quality = 1.00: * HZ PHE 45 + QE PHE 45 OK 100 100 - 100 - 2.2=100 HH2 TRP 17 - QE PHE 45 OK 22 92 - 23 - ~5522=4, ~4522=4...(9) HZ PHE 67 - QE PHE 45 lone 8 94 - 9 - 9429/9428=1, 11217/4.7=1 HE21 GLN 25 - QE PHE 45 lone 5 94 - 5 - Peak 5591 from aliabs.peaks (7.01, 7.01, 128.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 5595 from aliabs.peaks (6.83, 6.83, 131.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 67 + QD PHE 67 OK 100 100 - 100 Peak 5596 from aliabs.peaks (7.06, 6.83, 131.00 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 67 + QD PHE 67 OK 100 100 - 100 - 2.2=100 Peak 5597 from aliabs.peaks (7.01, 6.83, 131.00 ppm; 5.73 A): 2 out of 4 assignments used, quality = 1.00: * HZ PHE 67 + QD PHE 67 OK 100 100 - 100 - 3.8=100 HH2 TRP 17 + QD PHE 67 OK 45 62 - 72 - ~5526=21, ~5521=19...(10) HZ PHE 45 - QD PHE 67 lone 4 94 - 5 - 5600/2.2=2, ~1948=1 HE21 GLN 25 - QD PHE 67 lone 1 68 - 2 - Peak 5598 from aliabs.peaks (6.83, 7.06, 131.03 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 67 + QE PHE 67 OK 100 100 - 100 - 2.2=100 HZ2 TRP 88 + QE PHE 67 OK 77 100 - 77 - 1937/4.4=15, 1945/4.4=14...(13) Peak 5599 from aliabs.peaks (7.06, 7.06, 131.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 67 + QE PHE 67 OK 100 100 - 100 Peak 5600 from aliabs.peaks (7.01, 7.06, 131.03 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * HZ PHE 67 + QE PHE 67 OK 100 100 - 100 - 2.2=100 HH2 TRP 17 - QE PHE 67 OK 40 62 - 65 - 2.5/5526=24, 2.4/5521=20...(9) HZ PHE 45 - QE PHE 67 lone 5 94 - 6 - ~5588=2, ~4588=1 HE21 GLN 25 - QE PHE 67 lone 1 68 - 1 - Peak 5603 from aliabs.peaks (7.01, 7.01, 129.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 67 + HZ PHE 67 OK 100 100 - 100 Peak 5611 from aliabs.peaks (4.19, 7.48, 128.32 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 88 + HD1 TRP 88 OK 100 100 - 100 - 4.6=100 HA LEU 64 - HD1 TRP 88 OK 32 92 - 35 - 2840/3.9=13, 2830/3.9=12...(5) HA PHE 43 - HD1 TRP 88 OK 13 81 - 16 - 9215/8926=6, 2840/3.9=2...(4) HA CYS 121 - HD1 TRP 88 poor 9 77 - 12 - 2830/3.9=3, 2840/3.9=3...(4) Peak 5612 from aliabs.peaks (3.31, 7.48, 128.32 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 TRP 88 + HD1 TRP 88 OK 100 100 - 100 - 3.9=100 HD3 ARG 109 + HD1 TRP 88 OK 59 85 - 69 - 10739/6.6=20...(9) HD2 ARG 124 - HD1 TRP 88 OK 30 100 - 30 - 2819/4.6=9, 2841/3.9=9...(6) Peak 5613 from aliabs.peaks (3.07, 7.48, 128.32 ppm; 6.80 A): 2 out of 9 assignments used, quality = 1.00: * HB3 TRP 88 + HD1 TRP 88 OK 100 100 - 100 - 3.9=100 HD3 ARG 49 + HD1 TRP 88 OK 58 98 - 59 - 8917/2.6=19...(10) HA2 GLY 78 - HD1 TRP 88 OK 21 96 - 21 - 8706/11028=6, 8917/2.6=5...(6) HB2 TYR 27 - HD1 TRP 88 OK 14 68 - 21 - 2832/3.9=7, 2820/4.6=6...(4) HE2 LYS 86 - HD1 TRP 88 OK 13 89 - 14 - 7017/5.4=4, 6.3/4747=3...(4) HE3 LYS 86 - HD1 TRP 88 OK 12 85 - 14 - 7017/5.4=4, 6.3/4747=3...(4) HB3 ASP 30 - HD1 TRP 88 lone 5 100 - 5 - 2832/3.9=1 HB3 HIS 10 - HD1 TRP 88 lone 5 81 - 6 - 8917/2.6=2 HE3 LYS 34 - HD1 TRP 88 lone 3 62 - 5 - 7017/5.4=1 Peak 5614 from aliabs.peaks (7.48, 7.48, 128.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 88 + HD1 TRP 88 OK 100 100 - 100 Peak 5631 from aliabs.peaks (6.53, 6.83, 113.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HZ2 TRP 88 OK 100 100 - 100 - 4.3=100 Peak 5632 from aliabs.peaks (6.83, 6.83, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 88 + HZ2 TRP 88 OK 100 100 - 100 Peak 5633 from aliabs.peaks (6.43, 6.83, 113.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 88 + HZ2 TRP 88 OK 100 100 - 100 - 2.5=100 Peak 5636 from aliabs.peaks (6.53, 6.43, 122.14 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 88 + HH2 TRP 88 OK 100 100 - 100 - 2.4=100 Peak 5637 from aliabs.peaks (6.83, 6.43, 122.14 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HZ2 TRP 88 + HH2 TRP 88 OK 100 100 - 100 - 2.5=100 QD PHE 67 + HH2 TRP 88 OK 71 100 - 71 - ~1937=14, ~4598=14...(15) Peak 5638 from aliabs.peaks (6.43, 6.43, 122.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 88 + HH2 TRP 88 OK 99 99 - 100 Peak 5639 from aliabs.peaks (3.95, 7.13, 131.28 ppm; 4.83 A): 2 out of 9 assignments used, quality = 1.00: * HA PHE 106 + QD PHE 106 OK 100 100 - 100 - 3.7=100 HB3 SER 103 + QD PHE 106 OK 76 92 - 83 - 10145/2.5=27, ~10147=22...(12) HA LYS 48 - QD PHE 106 OK 18 89 - 20 - 3439/2.5=3, 3431/2.5=3...(6) HA LEU 29 - QD PHE 106 poor 10 89 - 11 - 10838/4.5=4, 3431/2.5=2...(4) HA3 GLY 94 - QD PHE 106 lone 8 100 - 8 - 3439/2.5=1, 3431/2.5=1...(4) HA ALA 60 - QD PHE 106 lone 8 100 - 8 - 3439/2.5=1, 3431/2.5=1 HD3 PRO 129 - QD PHE 106 lone 7 92 - 8 - 3.0/9230=1, ~9527=1, 3439/2.5=1 HA LYS 86 - QD PHE 106 lone 4 94 - 4 - HA3 GLY 143 - QD PHE 106 lone 3 94 - 3 - Peak 5640 from aliabs.peaks (2.95, 7.13, 131.28 ppm; 4.75 A): 1 out of 10 assignments used, quality = 1.00: * HB2 PHE 106 + QD PHE 106 OK 100 100 - 100 - 2.5=100 HE2 LYS 48 - QD PHE 106 OK 28 100 - 28 - 3421/3.7=5, 3440/2.5=5...(8) HE3 LYS 48 - QD PHE 106 OK 27 98 - 28 - 3421/3.7=5, 3440/2.5=5...(8) HB3 PHE 67 - QD PHE 106 OK 26 100 - 26 - 3440/2.5=3, ~1936=3...(14) HE2 LYS 85 - QD PHE 106 OK 19 100 - 19 - 3440/2.5=3, 3421/3.7=3...(6) HB2 TYR 119 - QD PHE 106 OK 19 62 - 30 - 3.0/9428=11, 3.9/9427=9...(6) HE3 LYS 85 - QD PHE 106 OK 17 92 - 18 - 3440/2.5=3, 3421/3.7=2...(6) HB2 TYR 115 - QD PHE 106 OK 13 100 - 13 - 3440/2.5=2, ~3849=1...(9) HE2 LYS 93 - QD PHE 106 OK 12 100 - 11 - 3440/2.5=2, 3421/3.7=2...(6) HE3 LYS 93 - QD PHE 106 poor 8 77 - 10 - 3440/2.5=1, ~3440=1...(5) Peak 5641 from aliabs.peaks (3.12, 7.13, 131.28 ppm; 4.56 A): 3 out of 6 assignments used, quality = 1.00: * HB3 PHE 106 + QD PHE 106 OK 100 100 - 100 - 2.5=100 HD3 ARG 145 + QD PHE 106 OK 57 96 - 59 - 3.4/10385=20...(18) HD2 ARG 145 + QD PHE 106 OK 56 94 - 59 - 3.4/10385=20...(18) HD2 ARG 109 - QD PHE 106 OK 39 85 - 46 - 3.0/10732=13, 3422/3.7=6...(13) HA VAL 80 - QD PHE 106 OK 26 89 - 29 - 3.2/9955=9, 3433/2.5=3...(13) HB3 ASN 96 - QD PHE 106 lone 7 96 - 7 - Peak 5642 from aliabs.peaks (7.13, 7.13, 131.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 106 + QD PHE 106 OK 100 100 - 100 Peak 5643 from aliabs.peaks (7.29, 7.13, 131.28 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 106 + QD PHE 106 OK 100 100 - 100 - 2.2=100 HZ2 TRP 17 - QD PHE 106 lone 4 100 - 4 - ~5534=1 Peak 5645 from aliabs.peaks (7.13, 7.29, 131.26 ppm; 3.02 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 106 + QE PHE 106 OK 100 100 - 100 - 2.2=100 HZ PHE 106 + QE PHE 106 OK 100 100 - 100 - 2.2=100 QD TYR 117 - QE PHE 106 OK 19 77 - 25 - 5648/2.2=4, 3442/4.4=4...(11) QE PHE 45 - QE PHE 106 OK 10 68 - 15 - 4643=4, 4648/2.2=3...(6) Peak 5646 from aliabs.peaks (7.29, 7.29, 131.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 106 + QE PHE 106 OK 100 100 - 100 Peak 5648 from aliabs.peaks (7.13, 7.13, 129.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HZ PHE 106 + HZ PHE 106 OK 100 100 - 100 Reference assignment not found: QD PHE 106 - HZ PHE 106 Peak 5649 from aliabs.peaks (7.29, 7.13, 129.68 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 106 + HZ PHE 106 OK 100 100 - 100 - 2.2=100 HZ2 TRP 17 - HZ PHE 106 OK 20 100 - 20 - ~5534=5, ~4534=3...(6) Peak 5650 from aliabs.peaks (7.13, 7.13, 129.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 106 + HZ PHE 106 OK 100 100 - 100 Peak 5654 from aliabs.peaks (6.93, 6.93, 133.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 112 + QD TYR 112 OK 100 100 - 100 Peak 5656 from aliabs.peaks (6.93, 6.77, 118.12 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 112 + QE TYR 112 OK 100 100 - 100 - 2.2=100 QD PHE 23 - QE TYR 112 OK 37 62 - 60 - 3669/4.5=12, 3658/5.6=10...(15) HD2 HIS 10 - QE TYR 112 lone 5 68 - 8 - 10551/10877=1, 3677/4.5=1 Peak 5657 from aliabs.peaks (6.77, 6.77, 118.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 112 + QE TYR 112 OK 100 100 - 100 Peak 5661 from aliabs.peaks (7.31, 7.31, 132.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 115 + QD TYR 115 OK 100 100 - 100 Peak 5662 from aliabs.peaks (7.18, 7.31, 132.50 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QE TYR 115 + QD TYR 115 OK 100 100 - 100 - 2.2=100 H LYS 36 + QD TYR 115 OK 54 81 - 67 - 3.9/10784=14...(15) QD TYR 27 - QD TYR 115 OK 29 92 - 32 - 5.0/10853=5, ~301=3...(16) Peak 5663 from aliabs.peaks (7.31, 7.18, 118.41 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 115 + QE TYR 115 OK 100 100 - 100 - 2.2=100 H ASP 30 - QE TYR 115 OK 43 99 - 44 - 4663=9, 4.8/9356=7...(18) H PHE 67 - QE TYR 115 OK 41 100 - 41 - ~1922=4, 3843/4.5=4...(13) Peak 5664 from aliabs.peaks (7.18, 7.18, 118.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 115 + QE TYR 115 OK 100 100 - 100 Peak 5670 from aliabs.peaks (7.14, 6.56, 118.44 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 117 + QE TYR 117 OK 100 100 - 100 - 2.2=100 QD PHE 106 + QE TYR 117 OK 55 77 - 71 - ~3442=16, ~3434=16...(15) HZ PHE 106 - QE TYR 117 OK 23 89 - 26 - ~5645=11, 5648/2.2=6...(4) Peak 5671 from aliabs.peaks (6.56, 6.56, 118.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 117 + QE TYR 117 OK 100 100 - 100 Peak 5675 from aliabs.peaks (6.33, 6.33, 132.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + QD TYR 119 OK 100 100 - 100 Peak 5676 from aliabs.peaks (6.24, 6.33, 132.38 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 119 + QD TYR 119 OK 100 100 - 100 - 2.2=100 HZ PHE 38 - QD TYR 119 OK 30 94 - 32 - 9789/11087=12...(5) Peak 5677 from aliabs.peaks (6.33, 6.24, 117.38 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + QE TYR 119 OK 100 100 - 100 - 2.2=100 Peak 5678 from aliabs.peaks (6.24, 6.24, 117.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 119 + QE TYR 119 OK 100 100 - 100 Peak 8002 from aliabs.peaks (2.38, 3.64, 50.34 ppm; 5.23 A): 2 out of 4 assignments used, quality = 0.94: HG3 MET 11 + HD3 PRO 12 OK 85 85 - 99 - 3.9/50=42, 3.0/8011=38...(20) HG3 GLU 37 + HD3 PRO 12 OK 63 100 - 63 - 1.8/62=11, 11493/3.0=10...(16) HG2 MET 59 - HD3 PRO 12 OK 18 62 - 29 - 16/3.8=3, 22/4.8=3...(10) HG2 GLN 25 - HD3 PRO 12 OK 11 81 - 14 - 22/4.8=4, 28/4.8=3...(4) Peak 8005 from aliabs.peaks (1.94, 4.53, 53.36 ppm; 3.80 A): 2 out of 10 assignments used, quality = 0.82: HG2 PRO 12 + HA ASP 13 OK 59 100 - 60 - ~6005=12, ~6004=11...(12) HB2 LYS 61 + HA ASP 13 OK 56 77 - 73 - 1.8/8006=23, 8005=20...(11) HB3 LEU 132 - HA ASP 13 lone 9 94 - 10 - 1.8/9768=2, 8021/3.0=2...(4) HB3 PRO 98 - HA ASP 13 lone 9 96 - 9 - 8005=2, 1651/9772=1, 2.3/8006=1 HB3 PRO 52 - HA ASP 13 lone 8 92 - 9 - ~10928=2, 8021/3.0=1 HG2 PRO 52 - HA ASP 13 lone 6 94 - 7 - 8021/3.0=1 HB3 GLU 122 - HA ASP 13 lone 5 94 - 6 - 3.0/8006=2 HB2 PRO 118 - HA ASP 13 lone 5 62 - 9 - 2.3/8006=5, 6006/2.9=1 HB ILE 136 - HA ASP 13 lone 4 85 - 4 - HB2 ARG 89 - HA ASP 13 lone 1 77 - 1 - Peak 8006 from aliabs.peaks (2.07, 4.53, 53.36 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.56: HB3 LYS 61 + HA ASP 13 OK 56 77 - 72 - 1.8/8005=25, 3.0/9772=22...(11) HA ARG 35 - HA ASP 13 lone 7 100 - 7 - 581/4658=3, 11627/3.6=1 HB3 GLN 62 - HA ASP 13 lone 5 81 - 6 - ~11053=2 HB2 GLU 131 - HA ASP 13 lone 5 68 - 7 - 8006=4 HG3 PRO 98 - HA ASP 13 lone 3 62 - 5 - 2.3/8005=3 HB2 LEU 26 - HA ASP 13 lone 3 89 - 3 - HB2 PRO 129 - HA ASP 13 lone 2 62 - 4 - 1652/9772=1, 1663/8005=1 HD2 ARG 49 - HA ASP 13 lone 2 85 - 2 - Peak 8007 from aliabs.peaks (1.99, 2.50, 40.83 ppm; 4.67 A): 2 out of 10 assignments used, quality = 0.53: QE MET 11 + HB2 ASP 13 OK 40 96 - 41 - 9763/1.8=21...(7) HB ILE 56 + HB2 ASP 13 OK 22 100 - 22 - 8007=9, 8005/3.0=5...(5) HB3 ARG 124 - HB2 ASP 13 lone 9 99 - 9 - 9484/10115=2, 8007=2, 3.0/8008=2 HG3 PRO 52 - HB2 ASP 13 lone 5 81 - 6 - ~8021=2, ~8021=2, ~8005=1 HB2 GLU 142 - HB2 ASP 13 lone 2 96 - 2 - ~8006=2 HB3 GLU 75 - HB2 ASP 13 lone 2 81 - 3 - 2217/9385=2 QE MET 113 - HB2 ASP 13 lone 1 62 - 2 - 9331/10115=1 HB2 GLN 111 - HB2 ASP 13 lone 1 98 - 1 - HB VAL 63 - HB2 ASP 13 lone 1 62 - 1 - HB3 GLU 90 - HB2 ASP 13 lone 1 62 - 1 - Peak 8008 from aliabs.peaks (1.59, 2.50, 40.83 ppm; 4.55 A): 3 out of 9 assignments used, quality = 0.91: HD3 LYS 61 + HB2 ASP 13 OK 64 96 - 67 - 3.6/8007=15, 9773/3.0=13...(13) HD2 LYS 61 + HB2 ASP 13 OK 62 94 - 66 - 3.6/8007=15, 9773/3.0=13...(13) HB2 LEU 79 + HB2 ASP 13 OK 32 96 - 33 - 3.1/10115=26, 8008=4...(4) HB2 LEU 66 - HB2 ASP 13 lone 9 92 - 10 - ~9897=3, ~9858=2...(4) HG3 ARG 124 - HB2 ASP 13 lone 9 96 - 9 - 3.0/8007=3...(3) HG3 LYS 36 - HB2 ASP 13 lone 7 96 - 8 - ~8006=3, 9773/3.0=2, 8008=1 HG2 ARG 144 - HB2 ASP 13 lone 3 72 - 4 - ~8022=1 HG3 ARG 109 - HB2 ASP 13 lone 2 81 - 2 - HD3 LYS 85 - HB2 ASP 13 lone 1 62 - 1 - Peak 8009 from aliabs.peaks (3.64, 1.82, 32.13 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 12 + HB2 MET 11 OK 100 100 - 100 - 4.8=66, 1.8/8010=38...(23) HA2 GLY 94 - HB2 MET 11 OK 13 72 - 18 - 58/4.8=4, 8018/3.0=4...(5) Peak 8010 from aliabs.peaks (3.59, 1.82, 32.13 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.97: HD2 PRO 12 + HB2 MET 11 OK 97 98 - 100 - 4.8=65, 49/3.0=39...(23) Peak 8011 from aliabs.peaks (3.64, 1.96, 32.13 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 12 + HB3 MET 11 OK 99 100 - 100 - 4.8=67, 1.8/8012=39...(21) HA2 GLY 94 - HB3 MET 11 OK 11 62 - 18 - 8009/1.8=5, 58/4.8=4...(5) Peak 8012 from aliabs.peaks (3.59, 1.96, 32.13 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.96: HD2 PRO 12 + HB3 MET 11 OK 96 96 - 99 - 4.8=65, 49/3.0=38...(22) Peak 8013 from aliabs.peaks (3.65, 2.44, 31.69 ppm; 6.14 A): 7 out of 9 assignments used, quality = 0.95: HD3 PRO 12 + HG2 MET 11 OK 62 62 - 99 - ~8015=43, ~8012=40...(17) HA THR 92 + HG2 MET 11 OK 51 89 - 57 - ~9024=15, 8018/1.8=13...(10) HA2 GLY 94 + HG2 MET 11 OK 32 100 - 32 - 8018/1.8=8, 8017/3.3=8...(7) HD3 PRO 12 + HB3 PRO 33 OK 22 47 - 48 - 4.8/21=12, 4.8/27=12...(8) HA2 GLY 94 + HG2 MET 68 OK 21 60 - 36 - ~8421=10, ~8421=6...(10) HA THR 92 + HG2 MET 68 OK 16 49 - 33 - ~8423=5, ~9914=4...(12) HD3 PRO 12 + HG2 MET 68 OK 16 31 - 50 - 3.8/15=10, 4.8/21=9...(13) HA THR 92 - HB3 PRO 33 poor 7 70 - 10 - ~10085=1, 8018/39=1...(4) HA2 GLY 94 - HB3 PRO 33 lone 6 83 - 7 - Peak 8014 from aliabs.peaks (3.59, 2.44, 31.69 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.97: HD2 PRO 12 + HG2 MET 11 OK 97 98 - 100 - 8015/1.8=45, 49/3.9=44...(19) HD2 PRO 12 - HB3 PRO 33 OK 32 80 - 40 - 4.8/21=10, 4.8/27=10...(8) HD2 PRO 12 - HG2 MET 68 OK 25 57 - 43 - 3.8/15=8, 4.8/21=8...(14) Peak 8015 from aliabs.peaks (3.59, 2.37, 31.69 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.97: HD2 PRO 12 + HG3 MET 11 OK 97 98 - 99 - 49/3.9=40, 8012/3.0=39...(18) Peak 8016 from aliabs.peaks (3.59, 2.00, 16.84 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.81: HD2 PRO 12 + QE MET 11 OK 71 81 - 88 - 1.8/8017=26, 3.8/42=24...(14) HA LYS 61 + QE MET 11 OK 32 77 - 41 - 3.0/44=8, 5.8/9764=6...(12) Peak 8017 from aliabs.peaks (3.65, 2.00, 16.84 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.72: HD3 PRO 12 + QE MET 11 OK 57 72 - 79 - 1.8/8016=22, 3.8/42=20...(14) HA THR 92 + QE MET 11 OK 22 81 - 27 - 3.2/10083=4, 8018/3.3=4...(10) HA2 GLY 94 + QE MET 11 OK 15 100 - 15 - 1.8/10591=2, 8018/3.3=2...(6) Peak 8018 from aliabs.peaks (3.64, 2.37, 31.69 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 12 + HG3 MET 11 OK 99 100 - 99 - 1.8/8015=40, 50/3.9=39...(20) HA2 GLY 94 - HG3 MET 11 OK 21 85 - 25 - 8009/3.0=5, 8017/3.3=4...(8) Peak 8019 from aliabs.peaks (4.66, 1.95, 27.30 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.76: HA MET 11 + HG2 PRO 12 OK 76 85 - 89 - 49/2.3=32, 51/2.3=30...(14) HA GLN 111 - HG2 PRO 12 lone 6 99 - 6 - 48/2.3=2, 50/2.3=2 HA ASP 16 - HG2 PRO 12 lone 0 89 - 1 - Peak 8021 from aliabs.peaks (1.94, 2.72, 40.83 ppm; 5.30 A): 5 out of 10 assignments used, quality = 0.90: HB2 LYS 61 + HB3 ASP 13 OK 65 77 - 84 - ~8006=22, ~9772=20...(13) HG2 PRO 12 + HB3 ASP 13 OK 45 100 - 45 - 8005/3.0=17, 99/3.8=15...(5) HB3 LEU 132 + HB3 ASP 13 OK 23 94 - 25 - 3.2/8024=5, 8021=4...(8) HB3 PRO 52 + HB3 ASP 13 OK 18 92 - 19 - 2.3/10928=6, 2.3/8021=3...(6) HG2 PRO 52 + HB3 ASP 13 OK 17 94 - 18 - 3.8/10928=5, 2.3/8021=3...(6) HB ILE 136 - HB3 ASP 13 lone 8 85 - 10 - 4.6/7767=2, 2.1/9676=2 HB2 PRO 118 - HB3 ASP 13 poor 8 62 - 13 - ~8006=4, 8021=2...(5) HB3 PRO 98 - HB3 ASP 13 lone 7 96 - 8 - 8005/3.0=2, 8007/1.8=1, ~8006=1 HB3 GLU 122 - HB3 ASP 13 lone 7 94 - 7 - ~8006=2, 8005/3.0=1, 8021=1 HB2 ARG 89 - HB3 ASP 13 lone 2 77 - 2 - Peak 8025 from aliabs.peaks (1.25, 3.74, 45.39 ppm; 4.72 A): 3 out of 14 assignments used, quality = 0.98: HG13 ILE 58 + HA2 GLY 15 OK 83 100 - 83 - 2.1/8026=27, ~8026=17...(13) HG12 ILE 58 + HA2 GLY 15 OK 73 89 - 82 - 2.1/8026=27, ~8026=17...(13) HG13 ILE 58 + HA3 GLY 15 OK 54 64 - 84 - ~8026=20, 2.1/8285=19...(14) HG12 ILE 58 - HA3 GLY 15 OK 43 52 - 83 - ~8026=20, 2.1/8285=19...(14) HG2 LYS 61 - HA2 GLY 15 lone 4 98 - 4 - 1590/8026=1, 1566/8280=1 HG3 LYS 61 - HA2 GLY 15 lone 3 77 - 4 - 10845/8026=2 HG2 LYS 61 - HA3 GLY 15 lone 2 61 - 4 - 1566/8280=1, 1590/8285=1 HB3 LEU 87 - HA2 GLY 15 lone 2 68 - 3 - 1589/8026=1 HG3 LYS 61 - HA3 GLY 15 lone 1 43 - 3 - HB3 LEU 87 - HA3 GLY 15 lone 1 37 - 3 - HB2 LEU 132 - HA2 GLY 15 lone 1 62 - 1 - HB3 LEU 97 - HA2 GLY 15 lone 1 68 - 1 - HB2 LEU 132 - HA3 GLY 15 lone 0 34 - 1 - HB3 LEU 97 - HA3 GLY 15 lone 0 37 - 1 - Peak 8026 from aliabs.peaks (0.55, 3.74, 45.39 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.76: QD1 ILE 58 + HA2 GLY 15 OK 61 96 - 64 - 8285=16, 8285/1.8=14...(12) QD1 ILE 58 + HA3 GLY 15 OK 38 59 - 63 - 8285=15, 8285/1.8=14...(13) QD1 LEU 42 - HA2 GLY 15 lone 2 100 - 2 - QD1 LEU 42 - HA3 GLY 15 lone 2 65 - 2 - 1567/8280=1 Peak 8029 from aliabs.peaks (3.93, 3.75, 45.39 ppm; 4.58 A): 0 out of 12 assignments used, low quality = 0.00: HA LEU 29 - HA3 GLY 15 lone 1 77 - 1 - HA TYR 112 - HA3 GLY 15 lone 1 94 - 1 - HD2 PRO 129 - HA3 GLY 15 lone 1 81 - 1 - HA2 GLY 143 - HA3 GLY 15 lone 1 81 - 1 - HD3 PRO 129 - HA3 GLY 15 lone 1 72 - 1 - HA LYS 86 - HA3 GLY 15 lone 0 68 - 1 - HA TYR 112 - HA2 GLY 15 lone 0 57 - 1 - HA LEU 29 - HA2 GLY 15 lone 0 43 - 1 - HA2 GLY 143 - HA2 GLY 15 lone 0 46 - 1 - HD2 PRO 129 - HA2 GLY 15 lone 0 46 - 1 - HD3 PRO 129 - HA2 GLY 15 lone 0 40 - 1 - HA LYS 86 - HA2 GLY 15 lone 0 37 - 1 - Peak 8043 from aliabs.peaks (1.71, 3.78, 61.72 ppm; 5.89 A): 2 out of 5 assignments used, quality = 0.69: HD2 LYS 93 + HA TYR 27 OK 49 100 - 49 - 3.0/10808=14, 6092/3.0=8...(10) HD2 LYS 86 + HA TYR 27 OK 41 92 - 44 - 1.8/10807=8, 3.0/285=6...(14) HB2 LYS 85 - HA TYR 27 poor 10 85 - 12 - ~2592=2, 6092/3.0=2, 2580/3.0=2 HB3 ARG 109 - HA TYR 27 lone 7 72 - 10 - 4.6/283=2, ~3538=2...(4) HB3 LEU 95 - HA TYR 27 lone 7 96 - 7 - 3.0/11175=2 Peak 8044 from aliabs.peaks (1.05, 3.78, 61.72 ppm; 6.33 A): 4 out of 5 assignments used, quality = 0.77: HG2 ARG 35 + HA TYR 27 OK 56 89 - 63 - 1.8/8045=27, ~11187=20...(8) HG3 LYS 114 + HA TYR 27 OK 26 94 - 27 - 2.9/10808=10...(9) QG2 THR 110 + HA TYR 27 OK 17 100 - 17 - 4.0/283=3, 3599/3.0=3...(6) HB2 LEU 116 + HA TYR 27 OK 16 92 - 17 - 8111/8046=5, ~11096=3...(5) QD2 LEU 116 - HA TYR 27 poor 9 72 - 13 - ~11096=4, ~10702=3...(4) Peak 8045 from aliabs.peaks (0.95, 3.78, 61.72 ppm; 4.85 A): 4 out of 4 assignments used, quality = 0.85: QG2 VAL 63 + HA TYR 27 OK 46 100 - 47 - 8056/3.6=18, 8367/3.0=13...(6) HG3 ARG 35 + HA TYR 27 OK 42 77 - 55 - 11187/3.0=19...(8) QG2 ILE 91 + HA TYR 27 OK 36 96 - 37 - 3.2/8044=12, 3.2/10808=7...(7) QG1 VAL 53 + HA TYR 27 OK 26 62 - 42 - 3.2/9810=19, 2.1/8044=14...(7) Peak 8046 from aliabs.peaks (0.03, 3.78, 61.72 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.53: QD1 LEU 39 + HA TYR 27 OK 53 92 - 57 - 8116=32, 11186/3.0=11...(10) Peak 8049 from aliabs.peaks (2.93, 2.45, 36.17 ppm; 4.63 A): 0 out of 5 assignments used, low quality = 0.34: HE3 LYS 93 - HG3 GLU 28 OK 34 77 - 45 - 3.8/8054=10, 8050/1.8=8...(14) HB3 HIS 14 - HG3 GLU 28 lone 8 96 - 9 - 10892/10893=2...(3) HE2 LYS 61 - HG3 GLU 28 poor 8 77 - 11 - 10892/10893=4...(4) HB3 ASN 130 - HG3 GLU 28 lone 8 92 - 9 - 4.7/7651=2, 9542=2...(4) HB2 TYR 119 - HG3 GLU 28 lone 1 89 - 1 - Peak 8050 from aliabs.peaks (2.94, 2.22, 36.17 ppm; 4.52 A): 6 out of 12 assignments used, quality = 0.72: HE3 LYS 93 + HG2 GLU 28 OK 35 100 - 35 - 8049/1.8=17, ~8049=5...(8) HE2 LYS 93 + HG2 GLU 28 OK 26 72 - 36 - ~8049=16, 8049/1.8=5...(10) HE3 LYS 85 + HG2 GLU 28 OK 15 94 - 16 - ~8049=3, 8049/1.8=3, 4.8/328=2 HB3 PHE 67 + HG2 GLU 28 OK 13 62 - 21 - 1.8/8051=16, 8049/1.8=3 HE2 LYS 85 + HG2 GLU 28 OK 12 77 - 16 - 8049/1.8=3, ~8049=3, 4.8/328=2 HE3 LYS 48 + HG2 GLU 28 OK 11 85 - 12 - ~8049=3, 8049/1.8=3, 4.9/328=2 HE2 LYS 48 - HG2 GLU 28 poor 9 68 - 13 - 8049/1.8=3, ~8049=3, 4.9/328=2 HB3 ASN 130 - HG2 GLU 28 lone 6 100 - 6 - 8049/1.8=4 HB2 PHE 106 - HG2 GLU 28 lone 5 62 - 9 - 4.0/325=4, 8049/1.8=2 HB3 HIS 14 - HG2 GLU 28 lone 3 62 - 5 - 8049/1.8=4 HB2 TYR 115 - HG2 GLU 28 lone 2 68 - 3 - HB2 TYR 119 - HG2 GLU 28 lone 1 100 - 1 - Peak 8051 from aliabs.peaks (3.03, 2.22, 36.17 ppm; 5.07 A): 3 out of 5 assignments used, quality = 0.74: HE2 LYS 36 + HG2 GLU 28 OK 46 96 - 47 - 3.0/10800=30, ~10800=8...(8) HE3 LYS 36 + HG2 GLU 28 OK 45 94 - 47 - 3.0/10800=30, ~10800=8...(8) HB2 PHE 67 + HG2 GLU 28 OK 12 99 - 12 - 1.8/8050=6, ~8049=4 HB3 ASP 65 - HG2 GLU 28 lone 5 81 - 6 - 10540/1.8=2, 8383/9868=2 HB2 HIS 10 - HG2 GLU 28 lone 1 72 - 2 - Peak 8052 from aliabs.peaks (4.04, 2.23, 29.45 ppm; 5.02 A): 3 out of 6 assignments used, quality = 0.53: HA GLU 81 + HB2 GLU 28 OK 25 81 - 31 - 9776/1.8=13, ~11300=11...(5) HA LYS 24 + HB2 GLU 28 OK 22 77 - 29 - 8053/3.0=17, 10859/4.0=8 HA GLU 37 + HB2 GLU 28 OK 20 68 - 29 - 9776/1.8=11, 8053/3.0=7...(10) HA LYS 123 - HB2 GLU 28 lone 7 85 - 8 - 9776/1.8=3, 8053/3.0=2 HD2 PRO 33 - HB2 GLU 28 lone 7 72 - 9 - 8053/3.0=3, 10850/4.3=3 HB THR 107 - HB2 GLU 28 lone 6 77 - 8 - 9776/1.8=3, 8053/3.0=2 Peak 8053 from aliabs.peaks (4.04, 2.45, 36.17 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.56: HA LYS 24 + HG3 GLU 28 OK 38 77 - 49 - 4.0/10893=18...(7) HA GLU 37 + HG3 GLU 28 OK 16 68 - 23 - 9776/3.0=7, 8052/3.0=6...(6) HA GLU 81 + HG3 GLU 28 OK 16 81 - 19 - 9776/3.0=9, 8052/3.0=8...(4) HA LYS 123 - HG3 GLU 28 lone 5 85 - 6 - 9776/3.0=2, 8052/3.0=2 HD2 PRO 33 - HG3 GLU 28 lone 5 72 - 7 - 8052/3.0=3, 10859/4.9=1 HB THR 107 - HG3 GLU 28 lone 5 77 - 6 - 8052/3.0=2, 9776/3.0=2 Peak 8054 from aliabs.peaks (1.43, 2.45, 36.17 ppm; 4.86 A): 3 out of 4 assignments used, quality = 0.77: HG2 LYS 24 + HG3 GLU 28 OK 55 85 - 65 - 10893=29, 1.8/10862=27...(6) HG12 ILE 91 + HG3 GLU 28 OK 31 98 - 32 - 11382/1.8=27...(3) HG2 LYS 48 + HG3 GLU 28 OK 26 92 - 28 - 1.8/10542=8, 3.6/8049=4...(9) HD2 LYS 114 - HG3 GLU 28 lone 5 85 - 5 - Peak 8058 from aliabs.peaks (4.55, 0.92, 23.00 ppm; 5.61 A): 3 out of 3 assignments used, quality = 0.87: HA GLU 28 + QD2 LEU 29 OK 77 100 - 77 - 3.6/371=35, 8079/4.8=28...(8) HA LEU 97 + QD2 LEU 29 OK 33 68 - 48 - ~8070=26, ~8070=16...(6) HA PRO 98 + QD2 LEU 29 OK 16 100 - 16 - 6116/4.9=5, 8079/4.8=4...(5) Peak 8059 from aliabs.peaks (4.36, 0.92, 23.00 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.95: HA ASP 65 + QD2 LEU 29 OK 86 99 - 87 - 8062/2.1=26, 3.0/8066=24...(19) HB THR 51 + QD2 LEU 29 OK 54 100 - 54 - 8062/2.1=14, 2.1/377=9...(14) HA TYR 70 + QD2 LEU 29 OK 12 72 - 17 - 2.9/8073=4, ~10529=3...(6) HA3 GLY 77 - QD2 LEU 29 lone 8 81 - 10 - 8062/2.1=3, ~8678=2, ~6827=1 HA ARG 144 - QD2 LEU 29 lone 6 89 - 7 - 8062/2.1=2, 1867/8068=1 Peak 8060 from aliabs.peaks (4.07, 0.98, 25.10 ppm; 3.50 A): 5 out of 6 assignments used, quality = 0.88: HA LEU 26 + QD1 LEU 29 OK 42 85 - 49 - 8060=12, 10537/2.1=8...(12) HA VAL 53 + QD1 LEU 29 OK 37 92 - 40 - 8060=10, 9840/4.0=8...(11) HA GLN 25 + QD1 LEU 29 OK 34 62 - 54 - 3.9/9778=11, 10537/2.1=8...(17) HA LYS 34 + QD1 LEU 29 OK 32 100 - 32 - 8060=8, 3.6/6188=6...(6) HA LEU 132 + QD1 LEU 29 OK 30 98 - 30 - 8060=8, 4.9/9616=7...(7) HA GLU 90 - QD1 LEU 29 lone 7 98 - 8 - 8060=2, 10537/2.1=1 Peak 8061 from aliabs.peaks (3.86, 0.98, 25.10 ppm; 4.59 A): 4 out of 6 assignments used, quality = 0.95: HA LEU 72 + QD1 LEU 29 OK 61 92 - 66 - 2.9/8071=25, 8539=15...(14) HA MET 68 + QD1 LEU 29 OK 54 100 - 54 - 2.9/10529=15...(11) HD2 PRO 118 + QD1 LEU 29 OK 52 100 - 53 - ~10851=10, 8061=9...(15) HA LYS 36 + QD1 LEU 29 OK 41 100 - 42 - 2.8/6199=10...(11) HA ALA 104 - QD1 LEU 29 OK 14 77 - 19 - ~10841=7, ~10198=2...(5) HB2 SER 127 - QD1 LEU 29 lone 7 68 - 10 - 9520/2.1=1, ~9521=1, 9501/8065=1 Peak 8062 from aliabs.peaks (4.36, 0.98, 25.10 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.91: HA ASP 65 + QD1 LEU 29 OK 80 100 - 80 - 8062=30, 3.0/8065=21...(16) HB THR 51 + QD1 LEU 29 OK 54 100 - 54 - 1316=12, 8059/2.1=9...(16) HA3 GLY 77 - QD1 LEU 29 lone 9 89 - 10 - 8062=4, ~8678=1, 8059/2.1=1 HA ASN 96 - QD1 LEU 29 poor 8 62 - 13 - 3.6/8070=11 HA ARG 144 - QD1 LEU 29 lone 8 94 - 8 - 8062=2, 8059/2.1=1 HA TYR 70 - QD1 LEU 29 poor 7 62 - 11 - 3.1/10529=3, 8059/2.1=2...(4) Peak 8063 from aliabs.peaks (3.03, 0.98, 25.10 ppm; 3.67 A): 4 out of 5 assignments used, quality = 0.86: HB3 ASP 65 + QD1 LEU 29 OK 60 77 - 77 - 1.8/8065=30, 8063=19...(10) HB2 PHE 67 + QD1 LEU 29 OK 42 100 - 42 - 10844=8, 4.4/10529=7...(14) HE2 LYS 36 + QD1 LEU 29 OK 22 98 - 23 - 8063=5, 1.8/8063=4...(7) HE3 LYS 36 + QD1 LEU 29 OK 22 96 - 22 - 8063=5, 1.8/8063=4...(7) HB2 HIS 10 - QD1 LEU 29 lone 2 68 - 3 - Peak 8065 from aliabs.peaks (2.47, 0.98, 25.10 ppm; 3.49 A): 3 out of 4 assignments used, quality = 0.82: HB2 ASP 65 + QD1 LEU 29 OK 69 89 - 77 - 8065=37, 3.0/8062=16...(11) HB3 GLU 131 + QD1 LEU 29 OK 30 100 - 30 - ~10291=7, 8065=6...(9) HG3 GLU 131 + QD1 LEU 29 OK 17 72 - 24 - 2.9/8065=6, ~10291=5...(7) HG3 GLU 28 - QD1 LEU 29 lone 4 62 - 6 - 10854/4.6=3, 8065=2 Peak 8066 from aliabs.peaks (2.48, 0.92, 23.00 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.82: HB2 ASP 65 + QD2 LEU 29 OK 75 98 - 77 - 8065/2.1=26, 1.8/8068=26...(12) HB3 GLU 131 + QD2 LEU 29 OK 29 72 - 40 - 1.8/10291=12, 8065/2.1=8...(11) Peak 8068 from aliabs.peaks (3.04, 0.92, 23.00 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.88: HB3 ASP 65 + QD2 LEU 29 OK 86 100 - 86 - 1.8/8066=30, ~8065=22...(13) HB2 PHE 67 + QD2 LEU 29 OK 18 68 - 27 - 8063/2.1=7, ~11527=7...(7) HE2 LYS 34 - QD2 LEU 29 lone 5 62 - 9 - 6.2/10537=2, 3.7/374=2, ~9779=1 HB2 HIS 10 - QD2 LEU 29 lone 3 100 - 3 - Peak 8070 from aliabs.peaks (7.66, 0.98, 25.10 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.55: H LEU 97 + QD1 LEU 29 OK 55 99 - 55 - 8070=25, 11421/3.1=10...(10) Peak 8074 from aliabs.peaks (1.15, 0.92, 23.00 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.86: HG LEU 64 + QD2 LEU 29 OK 66 99 - 67 - 2.1/1850=10, 1834=9...(23) HG2 LYS 76 + QD2 LEU 29 OK 51 77 - 66 - 1.8/373=9, 3.0/374=7...(28) QG2 THR 92 + QD2 LEU 29 OK 15 99 - 15 - 9027/1850=2...(6) Peak 8075 from aliabs.peaks (1.17, 0.98, 25.10 ppm; 3.33 A): 3 out of 5 assignments used, quality = 0.84: HG2 LYS 76 + QD1 LEU 29 OK 71 98 - 73 - 8075=20, 8074/2.1=11...(27) HB2 LEU 72 + QD1 LEU 29 OK 33 81 - 40 - 3.4/8071=11, 8074/2.1=8...(9) QD1 LEU 69 + QD1 LEU 29 OK 17 89 - 19 - 8075=3, 8074/2.1=3, 8386/8062=2 QG2 THR 92 - QD1 LEU 29 poor 8 72 - 12 - 8074/2.1=3, 11420/8070=2 QG2 THR 18 - QD1 LEU 29 lone 2 72 - 3 - Peak 8089 from aliabs.peaks (4.07, 2.69, 42.22 ppm; 4.77 A): 4 out of 6 assignments used, quality = 0.82: HA LYS 34 + HB2 ASP 32 OK 66 100 - 66 - 3.0/10820=24...(8) HA LEU 26 + HB2 ASP 32 OK 23 85 - 27 - 8090/1.8=7, 3.0/9785=6...(8) HA VAL 53 + HB2 ASP 32 OK 18 92 - 20 - 3.2/10806=9, 8090/1.8=5 HA GLN 25 + HB2 ASP 32 OK 15 62 - 25 - 439/4.8=7, 423/3.0=5...(7) HA LEU 132 - HB2 ASP 32 lone 8 98 - 8 - 8090/1.8=3, 2.8/9564=2 HA GLU 90 - HB2 ASP 32 lone 6 98 - 7 - ~11690=2, 8090/1.8=1 Peak 8090 from aliabs.peaks (4.08, 2.89, 42.22 ppm; 5.92 A): 5 out of 6 assignments used, quality = 0.92: HA LYS 34 + HB3 ASP 32 OK 79 100 - 80 - 3.6/9771=30, ~10820=26...(8) HA VAL 53 + HB3 ASP 32 OK 29 100 - 29 - ~10806=13, 8089/1.8=6...(6) HD3 PRO 118 + HB3 ASP 32 OK 19 77 - 25 - 439/4.8=8, 423/3.0=5...(6) HA LEU 26 + HB3 ASP 32 OK 18 62 - 29 - 8089/1.8=8, ~9785=6...(7) HA LEU 132 + HB3 ASP 32 OK 16 100 - 16 - ~9564=4, 3.7/11169=3...(5) HA GLU 90 - HB3 ASP 32 lone 8 100 - 8 - ~11690=2, 8089/1.8=2 Peak 8097 from aliabs.peaks (6.95, 4.07, 57.19 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.52: HD2 HIS 10 + HA LYS 34 OK 43 99 - 43 - 8098/3.0=22, 8099/4.7=8...(7) QD PHE 23 + HA LYS 34 OK 16 100 - 16 - 8098/3.0=7, 10555/241=2...(6) Peak 8098 from aliabs.peaks (6.96, 1.96, 31.69 ppm; 4.92 A): 0 out of 2 assignments used, low quality = 0.29: HD2 HIS 10 - HB2 LYS 34 OK 29 77 - 38 - 8097/3.0=19, 8099/3.4=6...(8) QD PHE 23 - HB2 LYS 34 poor 9 81 - 12 - 8097/3.0=7, 10890/494=1 Peak 8099 from aliabs.peaks (6.97, 1.79, 28.26 ppm; 4.22 A): 2 out of 4 assignments used, quality = 0.80: QD PHE 38 + HD2 LYS 34 OK 61 100 - 61 - 9794/2.9=25, 9797/2.9=25...(4) QD PHE 38 + HD3 LYS 34 OK 49 80 - 61 - 9794/2.9=25, 9797/2.9=25...(4) QE PHE 43 - HD2 LYS 34 lone 2 77 - 3 - 9794/2.9=1 QE PHE 43 - HD3 LYS 34 lone 1 55 - 2 - 9794/2.9=1 Peak 8100 from aliabs.peaks (0.03, 2.07, 58.34 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.85: QD1 LEU 39 + HA ARG 35 OK 85 89 - 95 - 8104/4.9=32...(28) Peak 8101 from aliabs.peaks (6.65, 3.86, 59.44 ppm; 4.86 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8104 from aliabs.peaks (0.01, 3.86, 59.44 ppm; 4.81 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8109 from aliabs.peaks (7.07, 3.34, 39.24 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.74: QE PHE 67 + HB3 PHE 38 OK 74 92 - 80 - 9810/1.8=46, 8109=44...(4) Peak 8111 from aliabs.peaks (1.05, 0.03, 26.33 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.95: HG2 ARG 35 + QD1 LEU 39 OK 80 100 - 80 - 10912=19, 3.9/8100=14...(29) HB2 LEU 116 + QD1 LEU 39 OK 64 100 - 64 - 8121/2.1=11, 3.1/855=9...(22) HG3 LYS 114 + QD1 LEU 39 OK 33 100 - 33 - ~11497=9, 2.9/10977=8...(8) HG13 ILE 91 - QD1 LEU 39 OK 31 89 - 35 - ~11497=12, 8121/2.1=8...(10) QG2 THR 110 - QD1 LEU 39 lone 8 81 - 10 - 9278/8406=2, 4.0/10756=1 Peak 8112 from aliabs.peaks (1.20, 0.03, 26.33 ppm; 4.59 A): 1 out of 6 assignments used, quality = 0.96: QD1 LEU 26 + QD1 LEU 39 OK 96 100 - 96 - 10578=50, 2.1/10915=36...(22) HB2 LEU 72 - QD1 LEU 39 OK 44 68 - 65 - 3.0/9790=12, 3.4/860=10...(26) HB3 LEU 108 - QD1 LEU 39 OK 19 99 - 19 - 256/10905=3, 264/10915=2...(9) HG13 ILE 56 - QD1 LEU 39 OK 16 99 - 16 - 3.2/11064=3, 256/10905=3...(8) HG12 ILE 56 - QD1 LEU 39 OK 12 89 - 14 - 3.2/11064=3, 256/10905=2...(5) QG2 THR 18 - QD1 LEU 39 lone 2 77 - 2 - Peak 8113 from aliabs.peaks (1.69, 0.03, 26.33 ppm; 4.32 A): 1 out of 6 assignments used, quality = 0.93: HG LEU 26 + QD1 LEU 39 OK 93 100 - 93 - 10915=42, 2.1/10578=36...(16) HG LEU 97 - QD1 LEU 39 OK 24 99 - 24 - 10915=6, 271/10578=4...(8) HG3 ARG 141 - QD1 LEU 39 OK 22 98 - 22 - 10505/10574=9...(7) HD2 LYS 86 - QD1 LEU 39 OK 11 72 - 16 - 271/10578=1, 255/10905=1 HB3 LEU 95 - QD1 LEU 39 poor 8 62 - 12 - HD3 LYS 48 - QD1 LEU 39 lone 2 62 - 4 - Peak 8114 from aliabs.peaks (2.07, 0.03, 26.33 ppm; 5.02 A): 3 out of 8 assignments used, quality = 1.00: HA ARG 35 + QD1 LEU 39 OK 95 100 - 95 - 8100=32, 3.6/11242=25...(29) HB2 LEU 26 + QD1 LEU 39 OK 89 92 - 97 - 1.8/10905=38...(20) HD2 ARG 49 + QD1 LEU 39 OK 46 89 - 52 - ~10975=9, 3.0/856=6...(15) HG3 PRO 33 - QD1 LEU 39 OK 13 62 - 22 - ~8120=5, ~8120=5...(8) HB3 LYS 61 - QD1 LEU 39 lone 7 81 - 9 - 269/10578=2, 253/10905=1 HB2 PRO 129 - QD1 LEU 39 lone 7 68 - 10 - 6081/10869=1...(4) HB2 GLU 131 - QD1 LEU 39 lone 5 72 - 7 - 8752/11064=2 HB3 GLN 62 - QD1 LEU 39 lone 3 77 - 4 - Peak 8115 from aliabs.peaks (3.04, 0.03, 26.33 ppm; 4.70 A): 4 out of 5 assignments used, quality = 0.81: HB2 PHE 67 + QD1 LEU 39 OK 44 85 - 51 - 8118/2.1=16, 3.7/8406=12...(10) HB3 ASP 65 + QD1 LEU 39 OK 32 98 - 33 - 8118/2.1=8, ~8388=7...(9) HE2 LYS 36 + QD1 LEU 39 OK 31 77 - 40 - 6.4/8104=15...(7) HE3 LYS 36 + QD1 LEU 39 OK 29 72 - 40 - 6.4/8104=15...(7) HB2 HIS 10 - QD1 LEU 39 lone 8 94 - 8 - 8118/2.1=3, ~10975=2 Peak 8116 from aliabs.peaks (3.80, 0.03, 26.33 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.47: HA TYR 27 + QD1 LEU 39 OK 47 72 - 65 - 8046=31, 3.0/11186=21...(9) HA GLN 47 - QD1 LEU 39 lone 3 92 - 3 - 6095/11186=1 Peak 8117 from aliabs.peaks (3.84, 0.70, 22.14 ppm; 6.08 A): 2 out of 6 assignments used, quality = 0.95: HA LEU 66 + QD2 LEU 39 OK 90 100 - 90 - 3.0/11496=25...(25) HA GLN 133 + QD2 LEU 39 OK 54 98 - 55 - 9616/3.2=14...(17) HB2 SER 100 - QD2 LEU 39 OK 31 98 - 31 - 10156/4.8=13...(5) HB2 SER 127 - QD2 LEU 39 OK 18 94 - 19 - 8134/2.1=3, 8117=3...(5) HA ALA 104 - QD2 LEU 39 OK 17 89 - 19 - 8134/2.1=4, 8117=3...(4) HA3 GLY 50 - QD2 LEU 39 OK 11 62 - 18 - ~6476=3, 10974/3.2=3...(5) Peak 8118 from aliabs.peaks (3.03, 0.70, 22.14 ppm; 4.73 A): 5 out of 5 assignments used, quality = 0.84: HB2 PHE 67 + QD2 LEU 39 OK 60 96 - 63 - 8115/2.1=17...(14) HB3 ASP 65 + QD2 LEU 39 OK 32 89 - 36 - 3.0/8388=10, 8115/2.1=10...(8) HE2 LYS 36 + QD2 LEU 39 OK 18 92 - 20 - 8115/2.1=8, ~8115=6...(4) HE3 LYS 36 + QD2 LEU 39 OK 18 89 - 20 - 8115/2.1=7, ~8115=6...(4) HB2 HIS 10 + QD2 LEU 39 OK 12 81 - 15 - 4.0/8131=8, ~10975=2, 8115/2.1=2 Peak 8119 from aliabs.peaks (2.73, 0.70, 22.14 ppm; 4.95 A): 5 out of 10 assignments used, quality = 0.87: HB3 TYR 70 + QD2 LEU 39 OK 67 96 - 70 - 2.6/10940=19, 1.8/862=11...(15) HB3 PHE 43 + QD2 LEU 39 OK 32 81 - 39 - 5.8/8130=22, 4.5/8131=12...(4) HB3 MET 46 + QD2 LEU 39 OK 19 85 - 22 - ~10501=4, ~11506=3...(7) HB2 ASN 84 + QD2 LEU 39 OK 18 85 - 21 - 4.0/6928=6, ~8854=4...(6) HB3 GLU 120 + QD2 LEU 39 OK 10 89 - 12 - 6258/4.8=3, 3.0/8128=2...(5) HG3 MET 113 - QD2 LEU 39 poor 9 68 - 14 - 3.3/11045=7, ~9334=2, ~9334=2 HB3 ASP 13 - QD2 LEU 39 lone 5 72 - 6 - HB2 ASN 96 - QD2 LEU 39 lone 3 85 - 3 - HB2 ASN 54 - QD2 LEU 39 lone 3 85 - 3 - 6285/868=1 HB3 ASP 16 - QD2 LEU 39 lone 2 89 - 3 - Peak 8120 from aliabs.peaks (2.04, 0.70, 22.14 ppm; 5.34 A): 2 out of 5 assignments used, quality = 0.46: HB3 LYS 34 + QD2 LEU 39 OK 35 98 - 35 - 4.6/8132=17, 8120=13...(4) HB2 PRO 33 + QD2 LEU 39 OK 17 100 - 17 - 8120=7, ~8114=3...(5) HB2 GLU 37 - QD2 LEU 39 poor 9 85 - 11 - 4.6/9788=8 HB3 GLU 37 - QD2 LEU 39 poor 8 77 - 11 - 4.6/9788=8 HG2 PRO 98 - QD2 LEU 39 lone 8 89 - 9 - 8120=3, 9142/2520=1, 6177/8132=1 Peak 8121 from aliabs.peaks (1.06, 0.70, 22.14 ppm; 3.56 A): 4 out of 4 assignments used, quality = 0.92: HG2 ARG 35 + QD2 LEU 39 OK 60 98 - 61 - 10912/2.1=15, 2.9/865=8...(21) HB2 LEU 116 + QD2 LEU 39 OK 54 96 - 56 - 3.1/863=8, 8111/2.1=7...(24) HG13 ILE 91 + QD2 LEU 39 OK 38 100 - 38 - 1.8/11497=14...(9) HG3 LYS 114 + QD2 LEU 39 OK 34 94 - 36 - 2.9/11497=11...(8) Peak 8126 from aliabs.peaks (6.96, 0.03, 26.33 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.56: QD PHE 38 + QD1 LEU 39 OK 56 62 - 89 - ~8129=39, 10757/2.1=36...(14) Peak 8128 from aliabs.peaks (4.18, 0.70, 22.14 ppm; 4.83 A): 3 out of 5 assignments used, quality = 0.90: HA PHE 38 + QD2 LEU 39 OK 83 89 - 93 - 3.1/8131=34, 4.7/8129=31...(14) HA TRP 88 + QD2 LEU 39 OK 24 89 - 27 - 8128=4, 6257/4.8=4...(12) HA LEU 64 + QD2 LEU 39 OK 20 100 - 20 - 8128=5, ~11517=3...(4) HA GLU 120 - QD2 LEU 39 poor 10 68 - 14 - 8128=3, 6257/4.8=2...(6) HA CYS 121 - QD2 LEU 39 lone 9 100 - 9 - 8128=2, 4.9/8128=1, 9488/9475=1 Peak 8129 from aliabs.peaks (6.26, 0.70, 22.14 ppm; 4.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8130 from aliabs.peaks (6.73, 0.70, 22.14 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.24: HZ3 TRP 17 - QD2 LEU 39 OK 24 92 - 26 - ~8127=10, ~10751=4...(5) Peak 8131 from aliabs.peaks (6.98, 0.70, 22.14 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.95: QD PHE 38 + QD2 LEU 39 OK 87 100 - 87 - 2.2/8129=41, 8131=30...(14) QE PHE 43 + QD2 LEU 39 OK 58 89 - 65 - 2.2/8130=34, ~8125=13...(11) Peak 8132 from aliabs.peaks (7.31, 0.70, 22.14 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.97: H PHE 67 + QD2 LEU 39 OK 89 100 - 89 - 8406/2.1=35...(24) QD TYR 115 + QD2 LEU 39 OK 54 100 - 54 - 8132=15, 2.5/11113=8...(20) H ASP 30 + QD2 LEU 39 OK 39 99 - 39 - 4.2/10978=13, 8132=10...(8) Peak 8139 from aliabs.peaks (7.16, 2.82, 41.80 ppm; 4.83 A): 0 out of 1 assignment used, low quality = 0.36: QD TYR 117 - HE3 LYS 114 OK 36 62 - 58 - 8140/1.8=34...(7) Peak 8140 from aliabs.peaks (7.16, 2.76, 41.80 ppm; 4.48 A): 0 out of 4 assignments used, low quality = 0.35: QD TYR 117 - HE2 LYS 114 OK 35 62 - 55 - 8139/1.8=35...(5) QD TYR 117 - HE3 LYS 76 lone 5 61 - 9 - 8139/3828=3, 8716/8725=2...(4) QD TYR 117 - HE2 LYS 76 lone 4 43 - 9 - 8139/3828=2, 8716/8725=2...(4) QD TYR 117 - HB2 ASP 41 lone 1 33 - 2 - Peak 8143 from aliabs.peaks (1.02, 0.55, 22.76 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.84: QD2 LEU 116 + QD1 LEU 42 OK 63 85 - 74 - 9392/2.1=25, 8143=20...(21) QD2 LEU 69 + QD1 LEU 42 OK 46 99 - 47 - 8143=11, 8155/2.1=9...(14) QG2 VAL 53 + QD1 LEU 42 OK 20 99 - 20 - 10492/10701=4...(7) Peak 8145 from aliabs.peaks (1.41, 0.55, 22.76 ppm; 5.31 A): 3 out of 5 assignments used, quality = 0.82: HG LEU 116 + QD1 LEU 42 OK 73 77 - 94 - ~9392=42, 2.1/8143=24...(20) HD2 LYS 114 + QD1 LEU 42 OK 24 89 - 27 - 3.6/8145=7...(7) HG3 LYS 93 + QD1 LEU 42 OK 11 100 - 11 - 10491/10701=2, ~8661=1 HB2 ARG 35 - QD1 LEU 42 lone 9 85 - 10 - 10491/10701=2...(4) HG2 LYS 36 - QD1 LEU 42 lone 6 72 - 8 - 693/8161=2, 693/8161=1 Peak 8147 from aliabs.peaks (2.40, 0.55, 22.76 ppm; 3.97 A): 3 out of 6 assignments used, quality = 0.93: HB ILE 91 + QD1 LEU 42 OK 71 100 - 71 - 3.2/952=10, 3.0/8145=10...(25) HG2 MET 46 + QD1 LEU 42 OK 66 100 - 66 - 3.3/10701=25, 10708=20...(11) HB3 PRO 118 + QD1 LEU 42 OK 27 77 - 35 - 4.3/9420=18, 8147=9...(6) HG3 GLN 25 - QD1 LEU 42 OK 12 100 - 12 - 8147=4, 1086/10701=1, ~8163=1 HG3 MET 59 - QD1 LEU 42 OK 12 100 - 12 - HG2 MET 59 - QD1 LEU 42 OK 12 98 - 12 - Peak 8148 from aliabs.peaks (2.80, 0.55, 22.76 ppm; 4.08 A): 4 out of 5 assignments used, quality = 0.64: HB3 ASP 41 + QD1 LEU 42 OK 31 100 - 31 - 6310/4.4=16, 1.8/8148=6...(5) HB3 ASN 84 + QD1 LEU 42 OK 30 98 - 30 - 11105=7, ~8852=5...(11) HB2 ASN 128 + QD1 LEU 42 OK 16 96 - 16 - 9524/3.2=5...(5) HB3 ASN 139 + QD1 LEU 42 OK 12 96 - 13 - 6310/4.4=4, 10006/949=3...(5) HG3 GLN 111 - QD1 LEU 42 lone 5 72 - 7 - 3983/9421=1, 4674/8160=1 Peak 8149 from aliabs.peaks (2.92, 0.55, 22.76 ppm; 4.20 A): 0 out of 3 assignments used, low quality = 0.00: HB3 HIS 14 - QD1 LEU 42 lone 9 96 - 10 - 1.8/8149=5, 136/10279=2...(4) HE2 LYS 61 - QD1 LEU 42 lone 9 100 - 9 - 3.8/10845=3, 4.8/8332=2 HE3 LYS 61 - QD1 LEU 42 lone 9 99 - 9 - 3.8/10845=3, 4.8/8332=2 Peak 8150 from aliabs.peaks (3.11, 0.55, 22.76 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.92: HA TYR 119 + QD1 LEU 42 OK 90 100 - 90 - 9421=36, 3.7/8160=30...(17) HD2 ARG 109 + QD1 LEU 42 OK 20 94 - 21 - 8150=10, ~11060=4...(4) HB3 ASN 96 - QD1 LEU 42 OK 20 81 - 24 - 8150=12, ~9084=4...(6) HD2 ARG 145 - QD1 LEU 42 OK 16 85 - 18 - 8150=8, 1.8/8150=6...(6) HD3 ARG 145 - QD1 LEU 42 OK 15 81 - 18 - 8150=7, 1.8/8150=6...(6) HA ALA 105 - QD1 LEU 42 OK 13 100 - 13 - 8150=7, 10206/10717=2, ~9220=1 Peak 8151 from aliabs.peaks (3.21, 0.55, 22.76 ppm; 4.20 A): 4 out of 10 assignments used, quality = 0.93: HG3 MET 46 + QD1 LEU 42 OK 72 100 - 73 - 3.3/10701=27...(16) HB3 TYR 117 + QD1 LEU 42 OK 54 100 - 54 - 3.0/8158=34, 1.8/947=11...(9) HA VAL 73 + QD1 LEU 42 OK 32 68 - 48 - 8151=23, ~8586=19...(7) HA LEU 39 + QD1 LEU 42 OK 15 62 - 24 - 6304/4.4=6, 11436/2.1=6...(6) HD3 ARG 140 - QD1 LEU 42 lone 7 100 - 7 - 1087/10701=1, 1071/10708=1 HD2 ARG 140 - QD1 LEU 42 lone 6 100 - 6 - 1087/10701=1 HD2 ARG 55 - QD1 LEU 42 lone 4 72 - 5 - 8151=2, 1.8/8151=2 HD3 ARG 124 - QD1 LEU 42 lone 3 92 - 3 - HD3 ARG 141 - QD1 LEU 42 lone 2 92 - 2 - HD2 ARG 141 - QD1 LEU 42 lone 1 77 - 1 - Peak 8152 from aliabs.peaks (3.16, 0.35, 25.42 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.56: HB2 TRP 17 + QD2 LEU 42 OK 40 100 - 40 - 8152=27, 8805/8812=9...(5) HB2 TYR 70 + QD2 LEU 42 OK 27 68 - 40 - 8152=22, 11540/8162=10...(7) Peak 8154 from aliabs.peaks (1.44, 0.35, 25.42 ppm; 4.84 A): 4 out of 5 assignments used, quality = 0.90: HG12 ILE 91 + QD2 LEU 42 OK 81 100 - 81 - 8145/2.1=14, 2976=13...(21) HB3 LYS 123 + QD2 LEU 42 OK 24 62 - 39 - 8154=6, 1.8/4110=5...(14) HD2 LYS 114 + QD2 LEU 42 OK 19 77 - 25 - 3.6/8154=5, 3791/8813=3...(9) HG2 LYS 48 + QD2 LEU 42 OK 12 96 - 13 - 8154=2, 8145/2.1=2 HG2 LYS 24 - QD2 LEU 42 lone 6 92 - 7 - Peak 8155 from aliabs.peaks (1.02, 0.35, 25.42 ppm; 3.43 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 69 + QD2 LEU 42 OK 55 100 - 55 - 8143/2.1=13, 8155=12...(16) QD2 LEU 116 + QD2 LEU 42 OK 53 72 - 74 - 9392=29, 8143/2.1=18...(19) QD1 LEU 116 + QD2 LEU 42 OK 52 62 - 83 - 2.1/9392=37, ~9391=16...(21) QG2 VAL 53 + QD2 LEU 42 OK 19 94 - 20 - 8143/2.1=6, 9862/8405=2...(6) Peak 8156 from aliabs.peaks (0.65, 0.35, 25.42 ppm; 3.65 A): 3 out of 4 assignments used, quality = 0.67: QD2 LEU 64 + QD2 LEU 42 OK 47 100 - 47 - 2.1/957=8, 1846/3.1=6...(19) QD1 LEU 126 + QD2 LEU 42 OK 24 99 - 25 - 10338/8586=9...(5) QD1 ILE 56 + QD2 LEU 42 OK 19 100 - 19 - 10595/10573=4, 3.1/957=3...(6) QD2 LEU 79 - QD2 LEU 42 poor 9 62 - 15 - 8587/8586=4, ~11003=3 Peak 8157 from aliabs.peaks (4.19, 0.55, 22.76 ppm; 4.97 A): 4 out of 5 assignments used, quality = 0.94: HA PHE 43 + QD1 LEU 42 OK 80 85 - 93 - 2.8/6329=39, 4.9/914=31...(15) HA TRP 88 + QD1 LEU 42 OK 38 100 - 38 - 8930/2.1=7, 10067/8145=4...(15) HA LEU 64 + QD1 LEU 42 OK 34 89 - 38 - 3.9/949=9, 1814/3.2=6...(13) HA CYS 121 + QD1 LEU 42 OK 32 72 - 44 - 2.9/10740=14...(8) HA PHE 67 - QD1 LEU 42 OK 14 62 - 22 - 8157=8, 8396/8159=2...(6) Peak 8158 from aliabs.peaks (4.75, 0.55, 22.76 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.70: HA TYR 117 + QD1 LEU 42 OK 70 100 - 70 - 8158=50, 3.0/947=10...(10) Peak 8159 from aliabs.peaks (6.26, 0.55, 22.76 ppm; 3.68 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8160 from aliabs.peaks (6.32, 0.55, 22.76 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.73: QD TYR 119 + QD1 LEU 42 OK 73 85 - 85 - 10735/2.1=24, 8160=23...(13) Peak 8161 from aliabs.peaks (7.21, 0.55, 22.76 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.81: QD PHE 45 + QD1 LEU 42 OK 71 99 - 71 - 2.2/10738=31, 8161=25...(13) H GLU 37 + QD1 LEU 42 OK 36 100 - 36 - 8161=14, 3.6/10739=5...(11) Peak 8162 from aliabs.peaks (6.26, 0.35, 25.42 ppm; 4.13 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8163 from aliabs.peaks (7.00, 0.35, 25.42 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.91: HZ PHE 45 + QD2 LEU 42 OK 69 94 - 73 - ~10738=44, 7.9/10508=22...(6) QE PHE 43 + QD2 LEU 42 OK 42 68 - 62 - 6.2/10744=30, 11224=25...(6) HH2 TRP 17 + QD2 LEU 42 OK 23 100 - 23 - 7.3/8152=14, 8163=4, 10737/2.1=3 HE21 GLN 25 + QD2 LEU 42 OK 22 100 - 22 - 8551/8586=6, ~8147=4...(7) HZ PHE 67 + QD2 LEU 42 OK 14 68 - 20 - 11224=6, 10881/10573=4...(7) Peak 8164 from aliabs.peaks (6.26, 3.47, 57.80 ppm; 4.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8165 from aliabs.peaks (6.32, 3.47, 57.80 ppm; 6.24 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8167 from aliabs.peaks (1.68, 4.16, 62.77 ppm; 5.30 A): 4 out of 10 assignments used, quality = 0.49: HD3 LYS 48 + HB3 SER 44 OK 17 77 - 23 - 3.0/11499=5, 3.0/9815=5...(7) HD3 LYS 48 + HB2 SER 44 OK 17 77 - 23 - 3.0/11499=5, 3.0/9815=5...(7) HG LEU 26 + HB3 SER 44 OK 13 98 - 14 - 2.1/10900=3, ~10900=3...(5) HG LEU 26 + HB2 SER 44 OK 13 98 - 13 - 2.1/10900=3, ~10900=3...(5) HG LEU 97 - HB3 SER 44 lone 4 100 - 4 - HG LEU 97 - HB2 SER 44 lone 4 100 - 4 - HG3 ARG 141 - HB3 SER 44 lone 4 100 - 4 - 10505/10900=1 HG3 ARG 141 - HB2 SER 44 lone 3 100 - 3 - 10505/10900=1 HB2 MET 68 - HB3 SER 44 lone 3 72 - 4 - HB2 MET 68 - HB2 SER 44 lone 3 72 - 4 - Peak 8168 from aliabs.peaks (2.33, 4.16, 62.77 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.97: HB3 GLN 47 + HB3 SER 44 OK 82 98 - 84 - 998/3.0=32, ~997=24...(13) HB3 GLN 47 + HB2 SER 44 OK 82 98 - 84 - 998/3.0=32, ~997=24...(13) HG2 GLU 142 - HB2 SER 44 lone 3 94 - 3 - HG2 GLU 142 - HB3 SER 44 lone 3 94 - 3 - Peak 8170 from aliabs.peaks (7.30, 2.42, 18.74 ppm; 3.76 A): 3 out of 4 assignments used, quality = 0.84: QD TYR 115 + QE MET 46 OK 63 92 - 69 - 2.2/8171=32...(13) H ASP 30 + QE MET 46 OK 42 99 - 42 - 3.0/10695=23...(8) H PHE 67 + QE MET 46 OK 26 98 - 27 - 10704/4.2=4, 2.8/10486=3...(11) HZ2 TRP 17 - QE MET 46 lone 2 62 - 3 - 2.5/10683=1 Peak 8171 from aliabs.peaks (7.17, 2.42, 18.74 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.55: QE TYR 115 + QE MET 46 OK 55 89 - 62 - 2.2/8170=19...(16) Peak 8174 from aliabs.peaks (4.10, 3.81, 59.57 ppm; 4.32 A): 3 out of 5 assignments used, quality = 0.85: HA PRO 52 + HA GLN 47 OK 77 100 - 77 - 10459/2.9=27...(11) HD3 PRO 33 + HA GLN 47 OK 25 85 - 30 - ~10678=5, 10680/3.6=4...(17) HA THR 99 + HA GLN 47 OK 13 92 - 14 - ~7163=2, ~9151=2...(6) HB THR 110 - HA GLN 47 lone 10 100 - 10 - 1333/10454=2, 3595=1...(4) HD3 PRO 118 - HA GLN 47 poor 8 62 - 13 - 10981/2.9=1 Peak 8177 from aliabs.peaks (4.02, 2.42, 33.14 ppm; 4.53 A): 6 out of 36 assignments used, quality = 0.62: HB2 SER 103 + HG3 GLN 47 OK 23 92 - 25 - ~1099=3, ~1109=3...(12) HB2 SER 103 + HG2 GLN 47 OK 23 92 - 25 - ~1099=3, ~1109=3...(12) HA LYS 123 + HG2 GLN 47 OK 11 85 - 13 - 4102/3.0=3, 3.0/10428=2...(5) HA LYS 123 + HG3 GLN 47 OK 11 85 - 13 - 4102/3.0=3, 3.0/10428=2...(5) HA GLU 81 + HG2 GLN 133 OK 11 81 - 13 - 2435/2.9=3, 2435/2.9=3...(6) HA GLU 81 + HG3 GLN 133 OK 10 77 - 13 - 2435/2.9=3, 2435/2.9=3...(6) HA LEU 69 - HG2 GLN 47 poor 9 77 - 11 - 4.9/1953=2, 4.1/9930=1...(6) HA LEU 69 - HG3 GLN 47 poor 9 77 - 11 - 4.9/1953=2, 4.1/9930=1...(6) HB THR 107 - HG3 GLN 47 lone 9 92 - 9 - 3458/4.9=5, 4.7/1127=2 HB THR 107 - HG2 GLN 47 lone 9 92 - 9 - 3458/4.9=5, 4.7/1127=2 HB THR 107 - HG2 GLN 133 lone 8 84 - 10 - 3453/4.0=4, ~10165=2 HA LEU 69 - HG2 GLN 133 poor 8 69 - 11 - 4.9/1953=2, 4.1/9930=2...(4) HB THR 107 - HG3 GLN 133 lone 8 80 - 10 - 3453/4.0=4, ~10165=2 HA LEU 69 - HG3 GLN 133 poor 7 65 - 11 - 4.9/1953=2, 4.1/9930=2...(5) HB3 SER 100 - HG2 GLN 133 lone 7 84 - 8 - 3317/4.0=2 HA VAL 63 - HG2 GLN 133 lone 7 95 - 7 - 3.2/8185=2, ~8185=1 HB3 SER 100 - HG3 GLN 133 lone 6 80 - 8 - 3317/4.0=2 HA VAL 63 - HG3 GLN 133 lone 6 91 - 7 - 3.2/8185=2, ~8185=1, ~8185=1 HA LYS 123 - HG2 GLN 133 lone 6 77 - 8 - 3.7/10310=2, 3.6/10433=2 HA LYS 123 - HG3 GLN 133 lone 6 73 - 8 - 3.7/10310=2, 3.6/10433=2 HA VAL 63 - HG2 GLN 47 lone 6 100 - 6 - HA VAL 63 - HG3 GLN 47 lone 6 100 - 6 - HB2 SER 103 - HG2 GLN 133 lone 6 84 - 7 - 3.0/8178=1 HB2 SER 103 - HG3 GLN 133 lone 5 80 - 6 - 3.0/8178=1 HA GLU 122 - HG2 GLN 47 lone 3 92 - 3 - 4.9/9602=1 HA GLU 122 - HG3 GLN 47 lone 3 92 - 3 - 4.9/9602=1 HA GLU 122 - HG2 GLN 133 lone 2 84 - 3 - HA GLU 122 - HG3 GLN 133 lone 2 80 - 3 - HB3 SER 100 - HG2 GLN 47 lone 2 92 - 2 - HB3 SER 100 - HG3 GLN 47 lone 2 92 - 2 - HA GLU 37 - HG2 GLN 133 lone 2 89 - 2 - HA GLU 37 - HG3 GLN 47 lone 2 96 - 2 - HA GLU 37 - HG2 GLN 47 lone 2 96 - 2 - HA GLU 37 - HG3 GLN 133 lone 2 85 - 2 - HA GLU 81 - HG3 GLN 47 lone 1 89 - 2 - HA GLU 81 - HG2 GLN 47 lone 1 89 - 2 - Peak 8178 from aliabs.peaks (4.46, 2.42, 33.14 ppm; 3.81 A): 2 out of 20 assignments used, quality = 0.93: HA SER 44 + HG2 GLN 47 OK 74 100 - 74 - 997/3.0=26, 998/3.0=24...(13) HA SER 44 + HG3 GLN 47 OK 74 100 - 74 - 997/3.0=26, 998/3.0=24...(13) HA SER 103 - HG2 GLN 47 OK 20 94 - 22 - 1099/3.0=4, 1109/3.0=4...(9) HA SER 103 - HG3 GLN 47 OK 20 94 - 22 - 1099/3.0=4, 1109/3.0=4...(9) HA SER 44 - HG2 GLN 133 OK 15 95 - 16 - 10440/3.5=5, 10441/3.5=3...(4) HA SER 44 - HG3 GLN 133 OK 14 91 - 15 - 10440/3.5=5, 10441/3.5=3...(4) HA ASP 137 - HG2 GLN 133 OK 11 81 - 14 - 10441/3.5=7, 2.9/10471=4 HA ASP 137 - HG3 GLN 133 OK 11 77 - 14 - 10441/3.5=7, ~10471=4 HA ASP 137 - HG3 GLN 47 OK 11 89 - 12 - 1099/3.0=2, 1109/3.0=2...(5) HA ASP 137 - HG2 GLN 47 OK 11 89 - 12 - 1099/3.0=2, 1109/3.0=2...(5) HA SER 103 - HG2 GLN 133 lone 7 87 - 8 - 10441/3.5=2, 10440/3.5=1 HA ASP 41 - HG3 GLN 47 lone 7 96 - 7 - 1109/3.0=2, 1099/3.0=2 HA ASP 41 - HG2 GLN 47 lone 7 96 - 7 - 1109/3.0=2, 1099/3.0=2 HA SER 103 - HG3 GLN 133 lone 6 83 - 8 - 10441/3.5=2, 10440/3.5=1 HA3 GLY 31 - HG2 GLN 47 lone 3 81 - 4 - HA3 GLY 31 - HG3 GLN 47 lone 3 81 - 4 - HA ASP 41 - HG2 GLN 133 lone 3 89 - 4 - 10441/3.5=2 HA ASP 41 - HG3 GLN 133 lone 3 85 - 3 - 10441/3.5=2 HA3 GLY 31 - HG2 GLN 133 lone 1 74 - 2 - HA3 GLY 31 - HG3 GLN 133 lone 1 69 - 1 - Peak 8179 from aliabs.peaks (4.58, 2.42, 33.14 ppm; 3.96 A): 2 out of 8 assignments used, quality = 0.55: HA ASN 130 + HG2 GLN 133 OK 33 65 - 52 - 7674/4.5=13, 4529/2.9=11...(9) HA ASN 130 + HG3 GLN 133 OK 33 61 - 54 - 7674/4.5=13, 4529/2.9=11...(10) HA ASN 130 - HG3 GLN 47 lone 7 72 - 10 - 10285=2, 10285/1.8=1 HA ASN 130 - HG2 GLN 47 lone 7 72 - 10 - 10285=2, 10285/1.8=1 HA HIS 10 - HG2 GLN 133 lone 2 95 - 2 - HA HIS 10 - HG3 GLN 133 lone 2 92 - 2 - HA HIS 10 - HG2 GLN 47 lone 1 100 - 1 - HA HIS 10 - HG3 GLN 47 lone 1 100 - 1 - Peak 8185 from aliabs.peaks (0.94, 2.42, 33.14 ppm; 4.13 A): 10 out of 20 assignments used, quality = 0.90: QG1 VAL 53 + HG2 GLN 133 OK 37 95 - 39 - 9610/3.5=8, 9847=6...(12) QG1 VAL 53 + HG3 GLN 133 OK 33 92 - 36 - 9610/3.5=8, 9847=6...(10) QD2 LEU 29 + HG2 GLN 133 OK 30 60 - 51 - 8066/1.8=6, 8066=6...(19) QD2 LEU 29 + HG3 GLN 133 OK 29 56 - 51 - 8066/1.8=6, 8066=6...(19) QG1 VAL 63 + HG2 GLN 133 OK 12 89 - 14 - 9610/3.5=3, 9622/4.5=3...(5) HB2 LEU 108 + HG2 GLN 47 OK 12 89 - 13 - 3476/4.9=5, 3.6/1136=2 HB2 LEU 108 + HG3 GLN 47 OK 12 89 - 13 - 3476/4.9=5, 3.6/1136=2 QG1 VAL 63 + HG3 GLN 133 OK 12 85 - 14 - 9610/3.5=3, 9622/4.5=3...(5) QG1 VAL 53 + HG2 GLN 47 OK 11 100 - 11 - 9847=2, ~10981=1...(4) QG1 VAL 53 + HG3 GLN 47 OK 11 100 - 11 - 9847=2, ~10981=1...(4) QG1 VAL 63 - HG2 GLN 47 lone 7 96 - 7 - 9836/3.5=2 QG1 VAL 63 - HG3 GLN 47 lone 7 96 - 7 - 9836/3.5=2 QG2 ILE 91 - HG2 GLN 133 lone 6 84 - 7 - HB2 LEU 108 - HG2 GLN 133 lone 6 81 - 7 - HB2 LEU 108 - HG3 GLN 133 lone 5 77 - 7 - QG2 ILE 91 - HG3 GLN 133 lone 5 80 - 7 - QD2 LEU 29 - HG2 GLN 47 lone 5 68 - 7 - QD2 LEU 29 - HG3 GLN 47 lone 5 68 - 7 - QG2 ILE 91 - HG3 GLN 47 lone 4 92 - 4 - QG2 ILE 91 - HG2 GLN 47 lone 4 92 - 4 - Peak 8193 from aliabs.peaks (3.90, 2.08, 44.13 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.74: HD3 PRO 98 + HD2 ARG 49 OK 63 100 - 63 - 8195/3.0=21, 8196/3.7=14...(14) HA MET 46 + HD2 ARG 49 OK 30 68 - 44 - 8194/1.8=12, 8196/3.7=9...(7) Peak 8194 from aliabs.peaks (3.91, 3.08, 44.13 ppm; 4.09 A): 3 out of 4 assignments used, quality = 0.77: HA MET 46 + HD3 ARG 49 OK 53 100 - 53 - 8193/1.8=14, 11503=12...(9) HD3 PRO 98 + HD3 ARG 49 OK 30 72 - 42 - 8193/1.8=11, 9802/3.0=10...(12) HD2 PRO 129 + HD3 ARG 49 OK 30 62 - 48 - 9825/3.0=7, 3.0/1298=7...(20) HA2 GLY 143 - HD3 ARG 49 poor 9 62 - 15 - 8198/5.2=5, 9825/3.0=4...(5) Peak 8195 from aliabs.peaks (3.88, 1.40, 26.78 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.59: HD3 PRO 98 + HG2 ARG 49 OK 59 89 - 66 - 8196/3.0=18, 8193/3.0=16...(17) HD3 PRO 98 - HG LEU 116 poor 8 63 - 13 - ~10695=3, 10291/3.0=2...(4) Peak 8196 from aliabs.peaks (3.90, 1.36, 30.11 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.93: HD3 PRO 98 + HB3 ARG 49 OK 84 98 - 86 - 8193/3.7=24, 9802/3.0=17...(19) HA MET 46 + HB3 ARG 49 OK 56 85 - 65 - 8193/3.7=16...(11) Peak 8198 from aliabs.peaks (3.94, 4.27, 55.41 ppm; 4.87 A): 6 out of 6 assignments used, quality = 0.77: HD3 PRO 129 + HA ARG 49 OK 37 89 - 42 - ~9824=9, 3.0/1244=7...(14) HA2 GLY 143 + HA ARG 49 OK 27 62 - 44 - 1.8/9754=26, 3.5/8200=12...(6) HD2 PRO 129 + HA ARG 49 OK 22 62 - 36 - 3.0/1244=7, 9824/3.0=6...(12) HA LYS 86 + HA ARG 49 OK 15 85 - 18 - 3.9/1242=5, 2674/3.9=5...(5) HA TYR 112 + HA ARG 49 OK 13 81 - 16 - ~7371=5, 7395/2.9=5...(5) HA LEU 29 + HA ARG 49 OK 13 92 - 14 - 4.0/10658=5, 8187/3.6=3...(6) Peak 8209 from aliabs.peaks (4.07, 4.36, 69.71 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.59: HA LEU 26 + HB THR 51 OK 39 81 - 48 - 4.0/10562=12, ~10866=12...(10) HA VAL 53 + HB THR 51 OK 19 94 - 20 - 10694/10487=7, ~8228=3...(6) HA LYS 34 + HB THR 51 OK 18 100 - 18 - ~10460=5, 10864/2.1=3...(7) HA LEU 132 - HB THR 51 poor 10 99 - 10 - ~8227=2, 10485/10487=1...(4) HA GLU 90 - HB THR 51 lone 6 99 - 6 - Peak 8210 from aliabs.peaks (3.53, 4.36, 69.71 ppm; 4.57 A): 3 out of 3 assignments used, quality = 0.84: HD3 PRO 52 + HB THR 51 OK 76 77 - 98 - 4.8=84, 8214/2.1=28...(13) HA2 GLY 77 + HB THR 51 OK 22 89 - 24 - 8214/2.1=6, 2341=3...(9) HB2 PHE 45 + HB THR 51 OK 17 100 - 17 - 8214/2.1=12, 1331/4.8=2 Peak 8211 from aliabs.peaks (3.25, 4.36, 69.71 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.93: HD2 PRO 52 + HB THR 51 OK 81 81 - 100 - 4.8=100 HD2 ARG 89 + HB THR 51 OK 38 94 - 40 - 8215/2.1=14, ~8215=9...(7) HB2 TYR 112 + HB THR 51 OK 35 100 - 35 - 8215/2.1=10, ~9305=8...(6) Peak 8213 from aliabs.peaks (3.83, 0.97, 18.95 ppm; 4.71 A): 5 out of 7 assignments used, quality = 0.84: HA3 GLY 50 + QG2 THR 51 OK 63 85 - 74 - 3.6/1317=32...(8) HA LEU 66 + QG2 THR 51 OK 26 96 - 27 - 4.0/10990=4, 3.6/8407=3...(9) HB2 SER 127 + QG2 THR 51 OK 19 77 - 25 - 3.0/1318=5, ~4325=4...(6) HA GLN 133 + QG2 THR 51 OK 18 85 - 22 - 9616=3, 4.0/8229=3...(7) HA THR 110 + QG2 THR 51 OK 12 62 - 19 - 10643/4.6=5, 6486/4.0=4...(5) HB2 SER 100 - QG2 THR 51 lone 5 100 - 5 - HA ALA 104 - QG2 THR 51 lone 4 68 - 7 - 2.8/1317=1 Peak 8214 from aliabs.peaks (3.53, 0.97, 18.95 ppm; 3.81 A): 3 out of 3 assignments used, quality = 0.76: HD3 PRO 52 + QG2 THR 51 OK 61 68 - 90 - 4.6=58, 3.8/1318=23...(14) HB2 PHE 45 + QG2 THR 51 OK 29 100 - 29 - 4.4/10648=14...(5) HA2 GLY 77 + QG2 THR 51 OK 14 94 - 15 - 8210/2.1=5, 1.8/1319=3...(5) Peak 8215 from aliabs.peaks (3.25, 0.97, 18.95 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.49: HD2 ARG 89 + QG2 THR 51 OK 25 100 - 25 - 8211/2.1=4, 1322/3.2=4...(9) HB2 TYR 112 + QG2 THR 51 OK 19 92 - 21 - 1338/4.6=4, 1322/3.2=4...(6) HD3 ARG 89 + QG2 THR 51 OK 16 81 - 19 - ~8211=5, 3.0/11393=3...(7) Peak 8216 from aliabs.peaks (3.08, 0.97, 18.95 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.71: HD3 ARG 49 + QG2 THR 51 OK 67 99 - 67 - 3.7/8225=17, 10661=14...(11) HA2 GLY 78 + QG2 THR 51 OK 13 100 - 13 - 1.8/10463=3, 1263/8225=2...(6) HB3 ASP 30 - QG2 THR 51 lone 7 81 - 8 - 3.8/6135=6 HB3 TRP 88 - QG2 THR 51 lone 6 89 - 6 - 3.9/10646=1 HB3 HIS 10 - QG2 THR 51 lone 2 100 - 2 - Peak 8223 from aliabs.peaks (2.40, 4.36, 69.71 ppm; 4.37 A): 6 out of 7 assignments used, quality = 0.80: HG2 MET 46 + HB THR 51 OK 45 98 - 46 - 3.3/10487=21...(7) HB3 PRO 118 + HB THR 51 OK 28 85 - 33 - 8229/2.1=10, 10640/4.8=5...(9) HG3 GLN 25 + HB THR 51 OK 18 99 - 18 - 8229/2.1=8, 10640/4.8=3...(6) HG3 MET 59 + HB THR 51 OK 16 99 - 16 - 8229/2.1=4, ~8229=3...(5) HG2 MET 59 + HB THR 51 OK 14 94 - 15 - 8229/2.1=4, ~8229=3...(5) HB ILE 91 + HB THR 51 OK 14 100 - 14 - 8229/2.1=4, 1086/10487=3...(4) HG3 GLN 133 - HB THR 51 poor 7 62 - 10 - 8229/2.1=4, 10640/4.8=2...(5) Peak 8224 from aliabs.peaks (1.16, 0.97, 18.95 ppm; 4.35 A): 0 out of 3 assignments used, low quality = 0.29: HG2 LYS 76 - QG2 THR 51 OK 19 100 - 19 - 3.0/8225=5, 2280/8225=2...(4) QG2 THR 92 - QG2 THR 51 OK 13 96 - 14 - 11420/10645=1 HG LEU 64 - QG2 THR 51 poor 8 68 - 11 - 3.0/8226=3, 9850/10645=2...(4) Peak 8225 from aliabs.peaks (1.37, 0.97, 18.95 ppm; 3.73 A): 4 out of 5 assignments used, quality = 0.77: HB3 ARG 49 + QG2 THR 51 OK 58 98 - 60 - 3.7/8216=13...(11) HB3 LEU 39 + QG2 THR 51 OK 28 94 - 29 - 8222/4.0=10, 3.0/10462=5...(8) HD3 LYS 76 + QG2 THR 51 OK 16 89 - 18 - 3.0/8224=11...(3) HG LEU 132 + QG2 THR 51 OK 10 92 - 11 - 8222/4.0=5, 3.0/8227=1 HB2 LEU 69 - QG2 THR 51 poor 7 68 - 10 - 4.6/10646=3, 1.8/10461=2 Peak 8226 from aliabs.peaks (1.62, 0.97, 18.95 ppm; 4.43 A): 5 out of 7 assignments used, quality = 0.89: HG3 ARG 49 + QG2 THR 51 OK 61 89 - 68 - 3.0/8216=22, 3.0/8225=18...(9) HG3 ARG 144 + QG2 THR 51 OK 53 94 - 56 - 8221/4.0=12, 4911/2.1=7...(18) HG3 LYS 34 + QG2 THR 51 OK 15 98 - 16 - 2.9/10460=3, 3.7/8216=1...(4) HB3 LEU 64 + QG2 THR 51 OK 15 98 - 15 - 3.0/8224=6, 9026/8224=2 HG3 LYS 48 + QG2 THR 51 OK 14 89 - 16 - 4.9/10647=9 HD2 LYS 24 - QG2 THR 51 lone 9 98 - 9 - 11345/10647=2, 8221/4.0=2 HB2 LEU 87 - QG2 THR 51 lone 6 100 - 6 - Peak 8227 from aliabs.peaks (1.75, 0.97, 18.95 ppm; 5.04 A): 4 out of 7 assignments used, quality = 0.84: HB2 ARG 49 + QG2 THR 51 OK 67 77 - 86 - 1.8/8225=24, 3.7/8216=24...(10) HB3 ARG 35 + QG2 THR 51 OK 30 62 - 49 - 1.8/598=9, 2.9/616=8...(11) HG LEU 66 + QG2 THR 51 OK 20 92 - 22 - 3.7/8213=6, 2.1/10990=5...(6) HB2 GLU 81 + QG2 THR 51 OK 16 68 - 23 - 3.0/10985=4, ~8768=3...(8) HG3 ARG 140 - QG2 THR 51 poor 10 72 - 13 - 8220/4.0=3, 2.9/10461=2...(5) HB2 PRO 12 - QG2 THR 51 lone 9 96 - 9 - 2.3/10461=2, 2.3/8227=2 HG LEU 95 - QG2 THR 51 lone 8 96 - 8 - 4.3/10463=2 Peak 8228 from aliabs.peaks (1.99, 0.97, 18.95 ppm; 4.52 A): 4 out of 10 assignments used, quality = 0.90: HG3 PRO 52 + QG2 THR 51 OK 77 92 - 84 - 2.3/8214=27, 2.3/8232=23...(11) HB2 GLN 111 + QG2 THR 51 OK 32 100 - 32 - 4.6/10650=13...(4) HB VAL 63 + QG2 THR 51 OK 21 77 - 28 - ~10867=6, ~11306=5...(7) QE MET 11 + QG2 THR 51 OK 18 100 - 18 - 10601=10, 10534/369=1...(5) QE MET 113 - QG2 THR 51 poor 9 77 - 12 - 1329/4.6=1, 9334/8225=1 HB3 GLU 75 - QG2 THR 51 poor 8 68 - 13 - 1.8/8228=6, 11555/8224=2 HB2 GLU 142 - QG2 THR 51 lone 6 89 - 7 - 1.8/8228=2, 3.0/10651=1 HB3 ARG 124 - QG2 THR 51 lone 5 100 - 5 - HB ILE 56 - QG2 THR 51 lone 4 98 - 4 - HB3 GLU 90 - QG2 THR 51 lone 4 77 - 5 - Peak 8229 from aliabs.peaks (2.40, 0.97, 18.95 ppm; 3.95 A): 6 out of 7 assignments used, quality = 0.76: HG2 MET 46 + QG2 THR 51 OK 40 98 - 41 - ~10487=10, 8223/2.1=10...(8) HB3 PRO 118 + QG2 THR 51 OK 27 85 - 31 - 8223/2.1=9, 3.0/8213=4...(8) HG3 GLN 25 + QG2 THR 51 OK 16 99 - 16 - 8223/2.1=7, 10640/4.6=2...(4) HG3 MET 59 + QG2 THR 51 OK 14 99 - 14 - 8223/2.1=3, ~8223=2...(5) HG2 MET 59 + QG2 THR 51 OK 13 94 - 14 - 8223/2.1=3, ~8223=2...(5) HB ILE 91 + QG2 THR 51 OK 12 100 - 12 - 8223/2.1=3, 10455/4.6=2 HG3 GLN 133 - QG2 THR 51 poor 8 62 - 13 - 4.0/8213=3, 8223/2.1=2...(5) Peak 8230 from aliabs.peaks (3.25, 4.25, 44.44 ppm; 5.66 A): 3 out of 3 assignments used, quality = 0.52: HD2 ARG 89 + HA2 GLY 50 OK 31 100 - 31 - 8189/2.9=9, 8206/3.6=8...(7) HB2 TYR 112 + HA2 GLY 50 OK 21 98 - 22 - 8206/3.6=7, 8189/2.9=6...(6) HD3 ARG 89 + HA2 GLY 50 OK 12 68 - 17 - ~8189=7, 3.5/10465=3...(4) Peak 8231 from aliabs.peaks (3.82, 3.27, 50.40 ppm; 4.52 A): 3 out of 4 assignments used, quality = 0.96: HA3 GLY 50 + HD2 PRO 52 OK 79 98 - 80 - 3.6/8203=24, ~9831=24...(10) HA THR 110 + HD2 PRO 52 OK 68 100 - 68 - 10643/1.8=15...(21) HA GLN 47 + HD2 PRO 52 OK 48 81 - 59 - 10673=21, 10672/1.8=20...(8) HB2 SER 100 - HD2 PRO 52 lone 3 62 - 5 - Peak 8232 from aliabs.peaks (0.96, 3.27, 50.40 ppm; 4.22 A): 4 out of 4 assignments used, quality = 0.94: QG2 THR 51 + HD2 PRO 52 OK 86 89 - 97 - 4.6=78, 3.2/1322=25...(14) QG2 VAL 63 + HD2 PRO 52 OK 36 96 - 37 - 8233/1.8=7, 10867/4.8=4...(16) HG3 ARG 35 + HD2 PRO 52 OK 26 100 - 26 - 8233/1.8=6, 1312/3.8=5...(11) QG2 ILE 91 + HD2 PRO 52 OK 13 62 - 21 - ~8986=5, ~8986=4...(7) Peak 8233 from aliabs.peaks (0.96, 3.54, 50.40 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.95: QG2 THR 51 + HD3 PRO 52 OK 93 98 - 95 - 4.6=72, 3.2/1323=27...(14) QG2 VAL 63 + HD3 PRO 52 OK 31 85 - 36 - 8232/1.8=8, 2.1/1337=4...(16) HG3 ARG 35 - HD3 PRO 52 OK 26 100 - 26 - 8232/1.8=6, 1312/3.8=5...(12) QD1 LEU 29 - HD3 PRO 52 OK 18 68 - 26 - 8232/1.8=6, 1312/3.8=5...(8) Peak 8234 from aliabs.peaks (4.36, 3.27, 50.40 ppm; 4.63 A): 1 out of 6 assignments used, quality = 0.99: HB THR 51 + HD2 PRO 52 OK 99 100 - 99 - 4.8=88, 3.0/1322=29...(16) HA ASP 65 - HD2 PRO 52 OK 30 98 - 31 - 8235/1.8=15, 8387/4.6=6...(7) HA ARG 144 - HD2 PRO 52 OK 16 85 - 19 - 6488/4.8=5, 1311/3.8=5...(5) HA3 GLY 77 - HD2 PRO 52 poor 9 77 - 12 - 8235/1.8=6, 1311/3.8=3 HA ILE 56 - HD2 PRO 52 lone 4 62 - 6 - 8235/1.8=2 HA TYR 70 - HD2 PRO 52 lone 4 77 - 5 - 1311/3.8=2, 8491/4652=1 Peak 8235 from aliabs.peaks (4.34, 3.54, 50.40 ppm; 4.55 A): 0 out of 3 assignments used, low quality = 0.33: HA PRO 12 - HD3 PRO 52 OK 33 89 - 37 - 71/2.3=6, ~87=6, ~79=6...(12) HA ILE 56 - HD3 PRO 52 lone 5 100 - 5 - HA TYR 70 - HD3 PRO 52 lone 2 99 - 2 - Peak 8236 from aliabs.peaks (7.31, 1.03, 20.95 ppm; 3.69 A): 3 out of 3 assignments used, quality = 0.90: QD TYR 115 + QG2 VAL 53 OK 82 100 - 82 - 2.2/9848=31, ~8237=22...(16) H PHE 67 + QG2 VAL 53 OK 34 100 - 34 - 11233=16, 9834/2.1=7...(7) H ASP 30 + QG2 VAL 53 OK 19 100 - 19 - 9834/2.1=4, ~10922=3...(5) Peak 8238 from aliabs.peaks (6.95, 0.94, 22.18 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.62: QD PHE 23 + QG1 VAL 53 OK 62 100 - 62 - 2.2/10635=41, ~10637=25...(6) HD2 HIS 10 - QG1 VAL 53 lone 6 99 - 6 - 10628/2.1=3 Peak 8240 from aliabs.peaks (3.19, 1.03, 20.95 ppm; 4.93 A): 2 out of 7 assignments used, quality = 0.60: HA VAL 73 + QG2 VAL 53 OK 50 77 - 65 - 8240=17, ~8571=11...(19) HA LEU 39 + QG2 VAL 53 OK 19 81 - 24 - 3.8/8111=10, 2.9/10759=6 HD3 ARG 144 - QG2 VAL 53 lone 8 100 - 8 - 8240=3, 1.8/8240=3 HD2 ARG 144 - QG2 VAL 53 lone 8 99 - 8 - 8240=3, 1.8/8240=3 HD3 ARG 55 - QG2 VAL 53 lone 7 92 - 7 - 8240=2, 1.8/8240=2 HD2 ARG 55 - QG2 VAL 53 lone 4 72 - 5 - 1.8/8240=2 HD2 ARG 141 - QG2 VAL 53 lone 2 68 - 3 - Peak 8241 from aliabs.peaks (2.72, 1.03, 20.95 ppm; 4.11 A): 2 out of 6 assignments used, quality = 0.60: HB3 MET 46 + QG2 VAL 53 OK 54 100 - 55 - 4.2/10492=15...(9) HB3 ASP 13 + QG2 VAL 53 OK 12 100 - 12 - 8241=3, ~8006=2...(5) HB3 TYR 70 - QG2 VAL 53 lone 9 94 - 9 - ~11305=3, ~2060=1 HB3 GLU 120 - QG2 VAL 53 lone 5 99 - 5 - 1085/10492=1 HB3 CYS 121 - QG2 VAL 53 lone 4 77 - 5 - 1085/10492=1 HB2 ASN 84 - QG2 VAL 53 lone 3 100 - 3 - Peak 8245 from aliabs.peaks (2.40, 1.03, 20.95 ppm; 3.28 A): 5 out of 7 assignments used, quality = 0.93: HB ILE 91 + QG2 VAL 53 OK 53 100 - 53 - 2.1/1399=7, 2957/2.1=6...(20) HG2 MET 46 + QG2 VAL 53 OK 48 98 - 49 - 3.3/10492=13...(12) HB3 PRO 118 + QG2 VAL 53 OK 46 85 - 54 - 8245=14, 2.3/1398=5...(29) HG3 GLN 25 + QG2 VAL 53 OK 42 99 - 42 - 8245=14, 10585/2.1=5...(15) HG3 GLN 133 + QG2 VAL 53 OK 12 62 - 20 - 8245=4, ~8185=2, ~9847=2...(7) HG3 MET 59 - QG2 VAL 53 lone 6 99 - 6 - HG2 MET 59 - QG2 VAL 53 lone 5 94 - 6 - Peak 8246 from aliabs.peaks (1.25, 0.94, 22.18 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.79: HB2 LEU 132 + QG1 VAL 53 OK 63 77 - 81 - 3.2/9596=14, 3.6/9548=12...(22) HG13 ILE 58 + QG1 VAL 53 OK 22 96 - 23 - ~8290=9, 2.1/8292=6...(4) HG12 ILE 58 + QG1 VAL 53 OK 17 77 - 22 - ~8290=9, 2.1/8292=6...(4) HG2 LYS 61 + QG1 VAL 53 OK 12 100 - 12 - 4504/9596=1, 4512/9600=1 HG3 LYS 61 - QG1 VAL 53 poor 9 89 - 11 - 4504/9596=1, 4512/9600=1 QG2 THR 99 - QG1 VAL 53 poor 7 62 - 11 - 4.0/10165=3, 9161/11305=1 HB3 LEU 97 - QG1 VAL 53 lone 6 81 - 8 - Peak 8251 from aliabs.peaks (3.36, 0.89, 17.29 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.99: HD2 PRO 57 + QG2 ILE 56 OK 90 100 - 90 - 4.2=60, 1.8/8251=19...(28) HD3 PRO 57 + QG2 ILE 56 OK 86 96 - 89 - 4.2=60, 1.8/8251=19...(25) HD2 PRO 57 - QG2 ILE 101 OK 30 99 - 31 - 3.0/8263=4, 2.3/10631=4...(10) HD3 PRO 57 - QG2 ILE 101 OK 28 94 - 30 - 3.0/8263=4, 2.3/10631=4...(11) Peak 8253 from aliabs.peaks (3.36, 0.65, 10.93 ppm; 6.73 A): 2 out of 3 assignments used, quality = 0.98: HD2 PRO 57 + QD1 ILE 56 OK 94 94 - 100 - 4.2/1463=38, 4.7/1478=37...(32) HD3 PRO 57 + QD1 ILE 56 OK 67 68 - 99 - 4.2/1463=38, 4.7/1478=37...(32) HB3 PHE 38 - QD1 ILE 56 poor 9 77 - 11 - 2.6/8261=6, 4716/9357=1 Peak 8255 from aliabs.peaks (1.19, 3.37, 49.79 ppm; 6.80 A): 9 out of 14 assignments used, quality = 1.00: HG12 ILE 56 + HD3 PRO 57 OK 100 100 - 100 - ~8268=31, ~8265=30...(39) HG12 ILE 56 + HD2 PRO 57 OK 80 80 - 100 - ~8268=31, ~8265=30...(37) HB2 LEU 72 + HD3 PRO 57 OK 72 99 - 73 - ~2091=10, ~11518=8...(30) HG13 ILE 56 + HD3 PRO 57 OK 67 68 - 100 - ~8268=31, ~8265=30...(38) QD1 LEU 26 + HD3 PRO 57 OK 64 81 - 79 - 2.1/10566=26, ~10566=18...(29) HB2 LEU 72 + HD2 PRO 57 OK 56 78 - 72 - ~2091=10, ~11518=8...(30) QD1 LEU 69 + HD3 PRO 57 OK 56 96 - 58 - 2.1/8464=25, ~8464=22...(13) HG13 ILE 56 + HD2 PRO 57 OK 47 47 - 100 - ~8268=31, ~8265=30...(36) QD1 LEU 26 + HD2 PRO 57 OK 46 59 - 79 - ~10566=24, 2.1/10566=20...(28) QD1 LEU 69 - HD2 PRO 57 OK 43 74 - 58 - 2.1/8464=25, ~8464=22...(12) HB3 LEU 108 - HD3 PRO 57 OK 32 96 - 33 - 1454/4.8=6, 8262/3.0=5...(13) HB3 LEU 108 - HD2 PRO 57 OK 23 74 - 31 - 1454/4.8=6, 8262/3.0=5...(12) QG2 THR 18 - HD3 PRO 57 OK 13 100 - 13 - 11019/2.3=4, 1844/8257=1 QG2 THR 18 - HD2 PRO 57 poor 10 80 - 12 - 11019/2.3=4, 9857/8521=1 Peak 8256 from aliabs.peaks (0.88, 3.37, 49.79 ppm; 3.81 A): 4 out of 14 assignments used, quality = 0.99: QG2 ILE 56 + HD3 PRO 57 OK 90 94 - 95 - 4.2=77, 8251/1.8=20...(29) QG2 ILE 56 + HD2 PRO 57 OK 68 71 - 95 - 4.2=77, 8251/1.8=19...(30) QG2 ILE 136 + HD3 PRO 57 OK 50 81 - 61 - 8263/3.0=8, 10631/2.3=7...(35) QD1 LEU 64 + HD3 PRO 57 OK 48 62 - 76 - ~8267=17, ~10630=10...(23) QG2 ILE 136 - HD2 PRO 57 OK 36 59 - 62 - 8263/3.0=8, 10631/2.3=7...(35) QD1 LEU 64 - HD2 PRO 57 OK 33 43 - 76 - ~8267=17, ~10630=10...(23) QG2 ILE 101 - HD3 PRO 57 OK 31 89 - 35 - 8251=5, 8251/1.8=5...(12) QD1 ILE 101 - HD3 PRO 57 OK 25 81 - 30 - 8263/3.0=4, 10631/2.3=4...(12) QG2 ILE 101 - HD2 PRO 57 OK 23 66 - 35 - 8251=6, 8263/3.0=5...(12) QD1 ILE 101 - HD2 PRO 57 OK 18 59 - 31 - 8263/3.0=4, 3.1/8251=4...(12) QD1 LEU 97 - HD3 PRO 57 OK 11 77 - 14 - 9129/4.8=4, 1446/3.8=2...(5) QD1 LEU 97 - HD2 PRO 57 poor 8 55 - 14 - 9129/4.8=4, 1446/3.8=2...(5) HB3 LEU 42 - HD3 PRO 57 lone 4 68 - 5 - 9861/8402=1 HB3 LEU 42 - HD2 PRO 57 lone 3 47 - 5 - Peak 8257 from aliabs.peaks (0.66, 3.37, 49.79 ppm; 4.29 A): 4 out of 8 assignments used, quality = 0.99: QD2 LEU 64 + HD3 PRO 57 OK 85 96 - 89 - 8267/2.3=35...(21) QD1 ILE 56 + HD3 PRO 57 OK 77 81 - 94 - 8268/2.3=24, 8265/3.0=20...(31) QD2 LEU 64 + HD2 PRO 57 OK 65 74 - 88 - 8267/2.3=35...(21) QD1 ILE 56 + HD2 PRO 57 OK 55 59 - 94 - 8268/2.3=24, 8265/3.0=20...(30) QD1 LEU 126 - HD3 PRO 57 OK 14 77 - 18 - 8267/2.3=6, 4749/9346=4...(5) QD1 LEU 126 - HD2 PRO 57 poor 10 55 - 18 - 8267/2.3=6, 4749/9346=4...(5) HB3 LEU 116 - HD3 PRO 57 lone 5 72 - 6 - 3876/8464=1 HB3 LEU 116 - HD2 PRO 57 lone 3 51 - 7 - 1912/8521=1, 3876/8464=1 Peak 8262 from aliabs.peaks (1.19, 1.66, 31.82 ppm; 4.78 A): 4 out of 14 assignments used, quality = 1.00: HG12 ILE 56 + HB2 PRO 57 OK 92 100 - 92 - ~8265=21, ~8268=19...(31) HB2 LEU 72 + HB VAL 71 OK 69 71 - 98 - ~2097=24, ~6742=24...(33) HG13 ILE 56 + HB2 PRO 57 OK 57 62 - 91 - ~8265=21, ~8268=19...(30) HB2 LEU 72 + HB2 PRO 57 OK 55 100 - 55 - ~11518=5, 2120/2.3=5...(28) QD1 LEU 26 - HB2 PRO 57 OK 36 77 - 47 - ~10566=11, 2.1/278=5...(18) QD1 LEU 69 - HB VAL 71 OK 27 68 - 41 - 6745/4.6=8, 4.7/6685=5...(13) QD1 LEU 69 - HB2 PRO 57 OK 24 98 - 25 - ~8464=10, 9934=1...(6) HB3 LEU 108 - HB VAL 71 OK 14 63 - 22 - ~10171=7, ~8515=3...(7) HG12 ILE 56 - HB VAL 71 OK 12 71 - 17 - 11375/10593=3...(6) HB3 LEU 108 - HB2 PRO 57 lone 9 94 - 9 - 8255/3.0=1, 8255/3.0=1 QG2 THR 18 - HB2 PRO 57 lone 8 100 - 8 - 11019/2.3=2, 10865/11514=2 QD1 LEU 26 - HB VAL 71 poor 8 48 - 16 - 10577/2.1=4, ~10911=3...(5) QG2 THR 18 - HB VAL 71 lone 7 72 - 10 - 11271/3.8=4...(3) HG13 ILE 56 - HB VAL 71 poor 5 38 - 14 - 2.1/10597=3, ~1456=1...(5) Peak 8263 from aliabs.peaks (0.88, 1.66, 31.82 ppm; 4.11 A): 4 out of 14 assignments used, quality = 0.97: QG2 ILE 56 + HB2 PRO 57 OK 74 92 - 81 - 8251/3.0=16, 8251/3.0=16...(24) QD1 LEU 64 + HB2 PRO 57 OK 54 68 - 81 - ~8267=20, ~11243=14...(18) QG2 ILE 136 + HB2 PRO 57 OK 54 77 - 70 - 10631/2.3=8, ~9672=7...(33) QG2 ILE 136 + HB VAL 71 OK 39 48 - 81 - 9683/2.1=8, ~8517=8...(33) QG2 ILE 101 - HB2 PRO 57 OK 26 85 - 31 - 10631/2.3=4, 8251/3.0=4...(12) QD1 ILE 101 - HB2 PRO 57 OK 22 77 - 29 - 10631/2.3=4, ~10631=3...(15) QD1 LEU 64 - HB VAL 71 OK 14 41 - 33 - 2.1/10593=18, ~8518=8...(5) QG2 ILE 56 - HB VAL 71 OK 12 61 - 20 - 4.2/1519=3, 4.2/1518=3...(6) QD1 LEU 97 - HB2 PRO 57 lone 6 72 - 8 - 10631/2.3=2 QG2 ILE 101 - HB VAL 71 poor 6 55 - 11 - ~8520=1, ~8514=1 QD1 ILE 101 - HB VAL 71 lone 4 48 - 8 - HB3 LEU 42 - HB2 PRO 57 lone 2 72 - 3 - QD1 LEU 97 - HB VAL 71 lone 2 45 - 3 - HB3 LEU 42 - HB VAL 71 lone 1 45 - 3 - Peak 8264 from aliabs.peaks (0.90, 2.19, 31.82 ppm; 5.00 A): 3 out of 12 assignments used, quality = 0.99: QG2 ILE 136 + HB3 PRO 57 OK 84 99 - 85 - 8263/1.8=19...(37) QG2 ILE 56 + HB3 PRO 57 OK 83 92 - 91 - 3.1/8265=26, 8251/3.0=20...(23) QG2 ILE 101 + HB3 PRO 57 OK 47 96 - 49 - 8263/1.8=9, 10425/2.3=6...(16) QD1 ILE 101 - HB3 PRO 57 OK 45 99 - 45 - 8263/1.8=8, ~8263=6...(15) QD1 LEU 97 - HB2 MET 46 OK 36 97 - 37 - ~10106=7, ~9110=6...(9) QG2 ILE 136 - HB2 MET 46 OK 32 96 - 33 - 9676/1.8=7, ~11005=3...(12) QD1 ILE 101 - HB2 MET 46 OK 22 96 - 23 - 9173/3.0=7, ~9171=4...(5) QG2 VAL 80 - HB3 PRO 57 OK 21 92 - 23 - 8753/2.3=4, 8263/1.8=3...(8) QG2 ILE 101 - HB2 MET 46 OK 21 93 - 22 - ~9173=3, ~9171=3...(8) QG2 ILE 56 - HB2 MET 46 OK 17 88 - 19 - 4.2/1526=5, 4.2/1527=5...(5) QD1 LEU 97 - HB3 PRO 57 OK 16 100 - 16 - 8263/1.8=3, 10631/2.3=2...(4) QG2 VAL 80 - HB2 MET 46 lone 8 88 - 8 - 8756/10301=1...(3) Peak 8265 from aliabs.peaks (0.64, 2.19, 31.82 ppm; 4.31 A): 4 out of 8 assignments used, quality = 0.97: QD1 ILE 56 + HB3 PRO 57 OK 78 94 - 82 - 8265=19, 8253/3.0=15...(25) QD2 LEU 64 + HB3 PRO 57 OK 60 77 - 78 - 11243/2.3=15...(18) QD2 LEU 79 + HB3 PRO 57 OK 42 98 - 43 - 10426/2.3=22, 8268/2.3=8...(11) QD2 LEU 79 + HB2 MET 46 OK 37 95 - 39 - 10711=26, 8726/3.0=3...(9) QD2 LEU 64 - HB2 MET 46 OK 20 73 - 28 - 10711=13, ~8378=2...(8) QD1 LEU 126 - HB3 PRO 57 OK 15 96 - 16 - 8267/2.3=7...(3) QD1 ILE 56 - HB2 MET 46 lone 8 91 - 9 - QD1 LEU 126 - HB2 MET 46 lone 7 93 - 7 - 4749/10422=1, 10255/3.0=1 Peak 8266 from aliabs.peaks (1.05, 2.19, 31.82 ppm; 5.60 A): 4 out of 10 assignments used, quality = 0.96: HB2 LEU 116 + HB2 MET 46 OK 68 88 - 77 - ~9374=23, 10291/3.0=12...(18) HG3 LYS 114 + HB3 PRO 57 OK 63 94 - 67 - 10265/10589=14...(22) QD2 LEU 116 + HB2 MET 46 OK 50 69 - 73 - ~9374=27, ~10289=11...(16) HG3 LYS 114 + HB2 MET 46 OK 40 91 - 44 - 10699/4.2=9, 10707/3.0=8...(11) QG2 THR 110 - HB3 PRO 57 OK 35 100 - 36 - 9289/1.8=11...(5) QG2 THR 110 - HB2 MET 46 OK 27 97 - 28 - 3.2/3591=6, 3603/4.0=6...(6) HG2 ARG 35 - HB2 MET 46 OK 17 85 - 20 - ~11042=6, ~10501=4...(6) HB2 LEU 116 - HB3 PRO 57 lone 9 92 - 9 - 9355/10589=3, 10291/1042=1 QD2 LEU 116 - HB3 PRO 57 poor 8 72 - 12 - 9355/10589=3, 9333/3724=1 HG2 ARG 35 - HB3 PRO 57 lone 5 89 - 5 - Peak 8267 from aliabs.peaks (0.66, 1.80, 27.60 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 64 + HG2 PRO 57 OK 87 100 - 87 - 8267=40, 11243/3.8=15...(18) QD1 ILE 56 + HG2 PRO 57 OK 77 94 - 82 - 8268/1.8=22, 8265/2.3=20...(25) QD1 LEU 126 - HG2 PRO 57 OK 22 92 - 24 - 8267=9, 4749/10590=5...(6) Peak 8270 from aliabs.peaks (0.93, 4.43, 57.91 ppm; 4.11 A): 5 out of 6 assignments used, quality = 0.93: QG1 VAL 63 + HA ILE 58 OK 86 100 - 86 - 8350/4.1=26...(15) HB2 LEU 64 + HA ILE 58 OK 20 77 - 26 - 3.8/11448=15, 8292/4.1=3...(7) QD2 LEU 29 + HA ILE 58 OK 17 94 - 18 - 10841/4.1=5, 10841/4.1=4...(4) QG1 VAL 53 + HA ILE 58 OK 12 96 - 13 - 8292/4.1=4, 1790/11447=2...(6) HB2 LEU 108 + HA ILE 58 OK 11 100 - 11 - 8292/4.1=2, 1791/11447=1...(5) QG2 ILE 91 - HA ILE 58 lone 3 62 - 5 - 1791/11447=1 Peak 8271 from aliabs.peaks (1.34, 1.73, 38.88 ppm; 4.55 A): 3 out of 3 assignments used, quality = 0.92: QB ALA 60 + HB ILE 58 OK 63 100 - 63 - 10416/2.1=26, ~8318=17...(8) HG2 LYS 85 + HB ILE 58 OK 61 100 - 61 - 10416/2.1=11, 2606=10...(24) HG12 ILE 83 + HB ILE 58 OK 42 62 - 67 - ~10024=34, ~8273=11...(14) Peak 8272 from aliabs.peaks (0.91, 0.57, 16.74 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.52: QG2 VAL 80 + QG2 ILE 58 OK 32 98 - 33 - 9984/10024=6, 8755=5...(11) HB2 LEU 64 + QG2 ILE 58 OK 20 92 - 21 - 3.8/10580=8, 8292/3.1=4...(5) QD2 LEU 29 + QG2 ILE 58 OK 12 72 - 17 - 8292/3.1=4, 10841/3.2=3...(4) Peak 8273 from aliabs.peaks (1.93, 0.57, 16.74 ppm; 3.90 A): 4 out of 11 assignments used, quality = 0.88: HG13 ILE 83 + QG2 ILE 58 OK 66 98 - 68 - 2.1/10024=44...(19) HB3 LEU 132 + QG2 ILE 58 OK 48 99 - 49 - 3.6/8294=9, 4492=6...(16) HB ILE 136 + QG2 ILE 58 OK 19 100 - 19 - 8326/10416=2, 2.1/8272=2...(7) HB2 LYS 86 + QG2 ILE 58 OK 14 77 - 19 - 3.5/1563=2, 2687/2.1=2...(7) HB2 ARG 89 - QG2 ILE 58 lone 8 100 - 8 - HB2 ARG 140 - QG2 ILE 58 lone 7 94 - 8 - 2543/10024=1 HB3 PRO 52 - QG2 ILE 58 lone 7 100 - 7 - 1.8/8275=2 HG2 PRO 52 - QG2 ILE 58 lone 7 99 - 7 - 2.3/8275=2 HB2 PRO 118 - QG2 ILE 58 lone 6 99 - 6 - HG3 PRO 12 - QG2 ILE 58 lone 5 81 - 6 - 2543/10024=2 HG2 PRO 12 - QG2 ILE 58 lone 4 68 - 6 - 2543/10024=2 Peak 8275 from aliabs.peaks (2.07, 0.57, 16.74 ppm; 4.21 A): 3 out of 5 assignments used, quality = 0.67: HB2 LEU 26 + QG2 ILE 58 OK 35 62 - 56 - 3.1/10572=34, 3.0/1563=7...(14) HB3 GLN 62 + QG2 ILE 58 OK 33 98 - 34 - 4.0/8294=16, 1.8/8273=8...(6) HG3 PRO 98 + QG2 ILE 58 OK 25 89 - 28 - 3.8/8293=12...(8) HA ARG 35 - QG2 ILE 58 lone 8 99 - 8 - 585/10572=4 HB2 PRO 52 - QG2 ILE 58 lone 7 77 - 9 - 1.8/8273=2, 2.3/8273=2 Peak 8279 from aliabs.peaks (3.61, 0.57, 16.74 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.76: HA LYS 61 + QG2 ILE 58 OK 70 92 - 76 - 8330=38, 3.0/8295=21...(18) HA ARG 109 + QG2 ILE 58 OK 19 100 - 19 - 8286/3.1=3, 3.0/1563=2...(6) HA2 GLY 31 - QG2 ILE 58 lone 1 100 - 1 - Peak 8280 from aliabs.peaks (3.75, 0.57, 16.74 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.79: HA3 GLY 15 + QG2 ILE 58 OK 58 100 - 59 - 8026/3.1=15, ~8026=11...(12) HA2 GLY 15 + QG2 ILE 58 OK 49 94 - 52 - 8026/3.1=15, ~8026=9...(11) HA LEU 108 - QG2 ILE 58 poor 9 68 - 13 - 4.9/8279=4, 8285/3.1=2...(5) QA GLY 2 - QG2 ILE 58 lone 1 100 - 1 - Peak 8281 from aliabs.peaks (4.01, 0.57, 16.74 ppm; 3.70 A): 3 out of 11 assignments used, quality = 0.75: HA VAL 63 + QG2 ILE 58 OK 68 81 - 84 - 10955/3.2=20...(22) HA LEU 69 + QG2 ILE 58 OK 11 100 - 11 - 3.6/8482=2, 10955/3.2=2...(4) HA GLU 122 + QG2 ILE 58 OK 10 100 - 10 - ~9460=2, 3.0/8273=2, 10955/3.2=2 HB3 SER 100 - QG2 ILE 58 lone 9 100 - 9 - 4.1/8294=2, 10955/3.2=2 HB3 SER 127 - QG2 ILE 58 lone 6 62 - 9 - 4.0/1568=4, 9521/8272=2 HB2 SER 103 - QG2 ILE 58 lone 3 100 - 3 - HA GLU 37 - QG2 ILE 58 lone 2 62 - 4 - 10955/3.2=1 HA MET 113 - QG2 ILE 58 lone 2 72 - 3 - 3682/8632=1 HB3 SER 138 - QG2 ILE 58 lone 2 72 - 3 - ~10349=2 HB2 SER 138 - QG2 ILE 58 lone 2 68 - 3 - ~10349=2 HA LYS 114 - QG2 ILE 58 lone 2 81 - 2 - Peak 8282 from aliabs.peaks (4.06, 1.73, 38.88 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.70: HA LEU 26 + HB ILE 58 OK 47 98 - 49 - ~8275=14, ~8275=9...(12) HA GLN 25 + HB ILE 58 OK 36 100 - 36 - ~8290=10, 8282=7...(10) HD2 PRO 33 + HB ILE 58 OK 12 99 - 13 - ~8290=4, 10041/1554=3, ~9913=2 HA LYS 24 - HB ILE 58 lone 7 98 - 7 - Peak 8284 from aliabs.peaks (4.03, 0.54, 10.83 ppm; 3.44 A): 5 out of 5 assignments used, quality = 0.89: HA VAL 63 + QD1 ILE 58 OK 80 96 - 83 - 8284=29, 3.2/8351=24...(14) HA GLU 81 + QD1 ILE 58 OK 21 100 - 21 - 8284=6, 8281/3.1=2...(6) HB THR 107 + QD1 ILE 58 OK 12 100 - 12 - 8284=3, 8281/3.1=2...(6) HA LYS 123 + QD1 ILE 58 OK 11 100 - 11 - 8284=3, 8281/3.1=1 HA GLU 37 + QD1 ILE 58 OK 11 100 - 10 - 8284=3, 11447/4.1=1 Peak 8285 from aliabs.peaks (3.74, 0.54, 10.83 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.92: HA2 GLY 15 + QD1 ILE 58 OK 76 100 - 76 - 8026=28, 1.8/8026=23...(12) HA3 GLY 15 + QD1 ILE 58 OK 61 81 - 75 - 1.8/8026=24, 8285=22...(13) HA LEU 108 + QD1 ILE 58 OK 21 98 - 21 - 4.9/8286=5, 3.0/8292=3...(8) QA GLY 2 - QD1 ILE 58 lone 2 89 - 3 - Peak 8286 from aliabs.peaks (3.61, 0.54, 10.83 ppm; 5.37 A): 2 out of 3 assignments used, quality = 0.97: HA LYS 61 + QD1 ILE 58 OK 94 100 - 95 - 8330/3.1=47...(22) HA ARG 109 + QD1 ILE 58 OK 42 94 - 44 - 8286=10, 8279/3.1=9...(13) HA2 GLY 31 - QD1 ILE 58 lone 5 100 - 5 - 8286=1 Peak 8287 from aliabs.peaks (2.87, 0.54, 10.83 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.62: HB2 CYS 121 + QD1 ILE 58 OK 62 99 - 62 - 9864/3.1=30...(6) Peak 8289 from aliabs.peaks (2.71, 0.54, 10.83 ppm; 5.57 A): 3 out of 5 assignments used, quality = 0.85: HB3 CYS 121 + QD1 ILE 58 OK 60 100 - 60 - 1.8/8287=41, ~9864=27 HB2 ASN 84 + QD1 ILE 58 OK 43 72 - 59 - 3.0/1586=13, ~1554=8...(14) HB3 MET 46 + QD1 ILE 58 OK 36 72 - 50 - 4.0/10714=22...(5) HB3 GLU 120 - QD1 ILE 58 lone 5 68 - 8 - ~8643=2, 6387/10714=1 HB3 ASP 13 - QD1 ILE 58 lone 5 85 - 6 - ~9774=1 Peak 8292 from aliabs.peaks (0.93, 0.54, 10.83 ppm; 3.21 A): 5 out of 6 assignments used, quality = 0.93: QG1 VAL 63 + QD1 ILE 58 OK 85 100 - 85 - 8350=38, 2.1/8351=28...(17) QD2 LEU 29 + QD1 ILE 58 OK 21 94 - 23 - 8292=5, 10841/2.1=5...(5) QG1 VAL 53 + QD1 ILE 58 OK 21 96 - 22 - 8292=6, 2.1/8290=3...(7) HB2 LEU 64 + QD1 ILE 58 OK 17 77 - 22 - 3.8/9812=10, 1801/8350=2...(7) HB2 LEU 108 + QD1 ILE 58 OK 13 100 - 13 - 3.0/8285=2, 1805/8351=2 QG2 ILE 91 - QD1 ILE 58 lone 4 62 - 6 - 1801/8350=1, 1805/8351=1 Peak 8293 from aliabs.peaks (4.57, 0.57, 16.74 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.91: HA MET 59 + QG2 ILE 58 OK 84 100 - 84 - 3.0/1568=28, 8302=18...(20) HA LEU 97 + QG2 ILE 58 OK 36 94 - 38 - 8293=13, 4.8/8293=8...(11) HA ASN 130 + QG2 ILE 58 OK 11 100 - 11 - 7658/8294=3, 4414/4.0=2...(4) Peak 8299 from aliabs.peaks (0.86, 1.91, 35.50 ppm; 6.25 A): 3 out of 4 assignments used, quality = 0.99: QD1 LEU 64 + HB2 MET 59 OK 85 100 - 85 - 8301/3.0=19...(19) QG2 ILE 83 + HB2 MET 59 OK 80 100 - 81 - 8301/3.0=15, 2.1/1604=13...(27) QD2 LEU 97 + HB2 MET 59 OK 60 68 - 90 - ~9128=20, 9127/3.0=15...(22) HB3 LEU 42 - HB2 MET 59 OK 19 99 - 19 - 8301/3.0=3, ~8147=2...(8) Peak 8300 from aliabs.peaks (0.85, 1.78, 35.50 ppm; 5.31 A): 3 out of 4 assignments used, quality = 0.97: QD2 LEU 97 + HB3 MET 59 OK 89 100 - 90 - 9127/3.0=27...(23) QG2 ILE 83 + HB3 MET 59 OK 52 81 - 64 - ~1604=10, 3.2/1611=9...(20) QD1 LEU 64 + HB3 MET 59 OK 47 68 - 69 - 2.1/10629=11...(16) HB3 LEU 42 - HB3 MET 59 poor 8 62 - 12 - 8299/1.8=3, ~8147=1 Peak 8301 from aliabs.peaks (0.87, 4.57, 54.70 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.81: QD1 LEU 64 + HA MET 59 OK 62 96 - 64 - 8299/3.0=15...(14) QG2 ILE 83 + HA MET 59 OK 50 89 - 56 - 8299/3.0=12, 2.1/1596=10...(21) HB3 LEU 42 - HA MET 59 lone 10 98 - 10 - 8299/3.0=2, 10568/4.6=1 Peak 8302 from aliabs.peaks (0.58, 4.57, 54.70 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.81: QG2 ILE 58 + HA MET 59 OK 78 85 - 92 - 1568/3.0=28, 8293=25...(19) QG1 VAL 71 + HA MET 59 OK 13 62 - 21 - 6538/3.0=4, 8318/4.9=3...(8) Peak 8304 from aliabs.peaks (0.86, 2.35, 32.00 ppm; 4.30 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 97 + HB2 PRO 98 OK 85 89 - 96 - 9125/3.0=27, 9123/3.0=25...(33) QD1 LEU 64 + HB2 PRO 98 OK 47 92 - 51 - 9142/2.3=11, 9133/3.0=11...(12) QG2 ILE 83 + HB2 PRO 98 OK 45 98 - 46 - 9133/3.0=11, 9142/2.3=10...(9) HB3 LEU 42 - HB2 PRO 98 lone 4 89 - 4 - 9133/3.0=1, 9142/2.3=1 Peak 8305 from aliabs.peaks (1.24, 2.35, 32.00 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.96: HG12 ILE 101 + HB2 PRO 98 OK 84 85 - 99 - ~9175=27, ~9175=26...(27) HG2 LYS 61 + HB2 PRO 98 OK 54 72 - 75 - 9132/3.0=9, 9143/2.3=7...(33) HD3 LYS 123 + HB2 PRO 98 OK 50 62 - 81 - ~9469=15, 1.8/4159=14...(24) HB3 LEU 87 - HB2 PRO 98 OK 40 96 - 42 - 9132/3.0=8, ~9145=6...(12) HG12 ILE 58 - HB2 PRO 98 OK 26 100 - 26 - ~8293=10, ~8275=5...(8) HG13 ILE 58 - HB2 PRO 98 OK 25 98 - 26 - ~8293=10, ~8275=5...(9) Peak 8309 from aliabs.peaks (4.56, 3.96, 53.08 ppm; 5.00 A): 3 out of 5 assignments used, quality = 1.00: HA MET 59 + HA ALA 60 OK 99 99 - 100 - 4.9=100 HA LEU 97 + HA ALA 60 OK 56 100 - 56 - 8311/2.1=16, 8314/3.6=10...(12) HA PRO 98 + HA ALA 60 OK 49 62 - 79 - ~8328=23, ~10529=17...(12) HA ASN 130 - HA ALA 60 lone 6 89 - 7 - 6551/2.8=2, 8314/3.6=1 HA GLU 28 - HA ALA 60 lone 5 68 - 7 - 8311/2.1=2 Peak 8310 from aliabs.peaks (1.59, 3.96, 53.08 ppm; 5.23 A): 4 out of 9 assignments used, quality = 0.90: HD3 LYS 61 + HA ALA 60 OK 60 96 - 63 - 6.2/1644=23, 5.2/8333=18...(10) HD2 LYS 61 + HA ALA 60 OK 59 94 - 63 - 6.2/1644=23, 5.2/8333=18...(10) HG3 ARG 109 + HA ALA 60 OK 25 81 - 30 - 2.8/3539=6, 11591=5...(8) HB2 LEU 66 + HA ALA 60 OK 15 92 - 17 - ~8320=4, 3.1/8318=4...(4) HD3 LYS 85 - HA ALA 60 poor 10 62 - 15 - ~2619=3, 3.0/1643=3...(5) HB2 LEU 79 - HA ALA 60 lone 6 96 - 6 - 6570/3.6=2, 1656/4.8=2 HG3 LYS 36 - HA ALA 60 lone 6 96 - 6 - HG2 ARG 144 - HA ALA 60 lone 4 72 - 6 - HG3 ARG 124 - HA ALA 60 lone 3 96 - 3 - Peak 8311 from aliabs.peaks (4.54, 1.34, 16.46 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.73: HA PRO 98 + QB ALA 60 OK 73 100 - 73 - 3.6/8313=26, 2.3/8328=26...(16) HA GLU 28 - QB ALA 60 lone 9 100 - 9 - 3234/8313=2...(3) HA TYR 115 - QB ALA 60 lone 1 68 - 2 - Peak 8313 from aliabs.peaks (3.42, 1.34, 16.46 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.79: HD2 PRO 98 + QB ALA 60 OK 79 96 - 82 - 9145=26, 3.6/8311=22...(15) HB3 TYR 112 - QB ALA 60 lone 9 92 - 10 - 3255/8311=2...(5) HA THR 74 - QB ALA 60 lone 7 94 - 7 - 3.6/1648=2 Peak 8316 from aliabs.peaks (1.22, 3.96, 53.08 ppm; 4.32 A): 0 out of 3 assignments used, low quality = 0.35: HG12 ILE 101 - HA ALA 60 OK 35 77 - 45 - ~10540=12, 2.1/8317=11...(9) QG2 THR 107 - HA ALA 60 lone 7 99 - 7 - 4.0/7251=1, 9245/8317=1...(4) HD3 LYS 123 - HA ALA 60 lone 6 94 - 6 - ~8328=3 Peak 8317 from aliabs.peaks (0.89, 3.96, 53.08 ppm; 3.97 A): 5 out of 5 assignments used, quality = 0.93: QD1 ILE 101 + HA ALA 60 OK 54 94 - 57 - 2.1/8316=23, 8319/2.1=14...(8) QG2 ILE 101 + HA ALA 60 OK 53 98 - 55 - 3.2/8316=18, 8319/2.1=11...(12) QD1 LEU 97 + HA ALA 60 OK 46 92 - 50 - 11585/2.1=14, ~11586=12...(10) QG2 ILE 136 + HA ALA 60 OK 32 94 - 34 - ~9692=10, ~8326=6...(8) QG2 ILE 56 + HA ALA 60 OK 13 100 - 13 - 8319/2.1=4, 10140/4.9=2...(4) Peak 8318 from aliabs.peaks (0.58, 3.96, 53.08 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.88: QG2 ILE 58 + HA ALA 60 OK 88 94 - 93 - 10583/2.8=37...(11) Peak 8319 from aliabs.peaks (0.89, 1.34, 16.46 ppm; 2.79 A): 5 out of 5 assignments used, quality = 0.80: QD1 ILE 101 + QB ALA 60 OK 39 94 - 42 - ~8316=6, 9175/8313=5...(13) QD1 LEU 97 + QB ALA 60 OK 35 92 - 38 - 2.1/11586=10, 4.6/8313=9...(9) QG2 ILE 101 + QB ALA 60 OK 32 98 - 33 - 3.2/9851=5, ~8316=5...(10) QG2 ILE 136 + QB ALA 60 OK 18 94 - 19 - 3.2/9692=5, 2.1/8326=5...(4) QG2 ILE 56 + QB ALA 60 OK 11 100 - 11 - 2.1/8326=1, 8299/4.8=1...(5) Peak 8320 from aliabs.peaks (0.59, 1.34, 16.46 ppm; 4.73 A): 3 out of 3 assignments used, quality = 0.49: QD1 LEU 132 + QB ALA 60 OK 28 68 - 41 - 3.2/8326=8, 8318/2.1=8...(12) QG1 VAL 71 + QB ALA 60 OK 22 96 - 22 - 8318/2.1=6, 8322/3.7=3...(7) QD1 LEU 66 + QB ALA 60 OK 10 68 - 15 - 8322/3.7=3, 8318/2.1=3, ~8310=2 Peak 8323 from aliabs.peaks (1.95, 3.96, 53.08 ppm; 4.81 A): 2 out of 9 assignments used, quality = 0.98: HB3 PRO 98 + HA ALA 60 OK 93 98 - 95 - ~8311=26, ~8313=25...(20) HB2 LYS 61 + HA ALA 60 OK 67 81 - 82 - 3.8/1644=35, 3.0/8333=24...(11) HB ILE 136 - HA ALA 60 OK 38 81 - 47 - ~9692=16, 8326/2.1=8...(9) HB3 LEU 132 - HA ALA 60 OK 31 92 - 33 - ~8320=10, 3.2/8318=7...(7) HG2 PRO 52 - HA ALA 60 OK 16 92 - 18 - 8326/2.1=4, ~8326=3...(7) HB3 PRO 52 - HA ALA 60 OK 16 89 - 18 - 8326/2.1=4, ~8326=3...(7) HG2 PRO 12 - HA ALA 60 OK 14 100 - 14 - 2.3/8310=5, 98/8310=2...(5) HB3 GLU 122 - HA ALA 60 lone 8 96 - 8 - 1651/4.8=2, 8326/2.1=2, ~8327=1 HB2 ARG 89 - HA ALA 60 lone 2 72 - 3 - Peak 8324 from aliabs.peaks (2.05, 3.96, 53.08 ppm; 5.18 A): 2 out of 5 assignments used, quality = 0.99: HG2 PRO 98 + HA ALA 60 OK 92 99 - 93 - ~8313=34, ~8313=28...(17) HG3 PRO 98 + HA ALA 60 OK 86 92 - 94 - ~8313=34, ~8313=28...(17) HB3 GLN 62 - HA ALA 60 OK 22 77 - 29 - ~9852=10, ~9828=7...(6) HB2 PRO 52 - HA ALA 60 OK 17 98 - 18 - ~8326=4, 8327/2.1=3...(6) HB2 PRO 33 - HA ALA 60 lone 3 85 - 4 - Peak 8325 from aliabs.peaks (1.61, 1.34, 16.46 ppm; 4.21 A): 5 out of 11 assignments used, quality = 0.94: HB2 LEU 97 + QB ALA 60 OK 66 100 - 67 - 4.8/8313=21...(17) HD2 LYS 61 + QB ALA 60 OK 42 85 - 49 - 5.2/10527=14...(9) HD3 LYS 61 + QB ALA 60 OK 40 81 - 49 - 5.2/10527=14...(9) HG3 ARG 49 + QB ALA 60 OK 35 92 - 37 - 3.0/1286=6, 1277=5...(11) HG3 LYS 48 + QB ALA 60 OK 19 92 - 20 - 1184/2.1=2, 4.9/6465=2...(5) HG2 ARG 141 - QB ALA 60 lone 7 100 - 7 - 3.8/9816=2, 3218/11586=1 HB2 LEU 87 - QB ALA 60 lone 6 68 - 8 - ~8316=2, 9863/10416=2 HG LEU 108 - QB ALA 60 lone 5 100 - 5 - HG2 ARG 144 - QB ALA 60 lone 5 99 - 5 - HG3 ARG 144 - QB ALA 60 lone 4 85 - 5 - HB2 LEU 79 - QB ALA 60 lone 3 81 - 3 - Peak 8326 from aliabs.peaks (1.93, 1.34, 16.46 ppm; 3.65 A): 5 out of 11 assignments used, quality = 0.66: HB ILE 136 + QB ALA 60 OK 31 100 - 32 - 3.0/9692=10, 2.1/8319=6...(9) HB3 LEU 132 + QB ALA 60 OK 25 100 - 25 - 3.2/8320=9, 3.6/8315=5...(7) HG13 ILE 83 + QB ALA 60 OK 14 96 - 14 - 1611/4.8=3, 11136=3...(4) HB3 PRO 52 + QB ALA 60 OK 13 100 - 13 - 1.8/8327=3, ~8324=1...(4) HG2 PRO 52 + QB ALA 60 OK 12 100 - 12 - 2.3/8327=3, 1366/8327=1, ~8324=1 HG2 PRO 12 - QB ALA 60 lone 5 72 - 7 - ~8310=2 HG3 PRO 12 - QB ALA 60 lone 4 77 - 5 - ~8310=2 HB2 LYS 86 - QB ALA 60 lone 4 72 - 6 - HB2 PRO 118 - QB ALA 60 lone 3 98 - 3 - HB2 ARG 140 - QB ALA 60 lone 3 92 - 3 - HB2 ARG 89 - QB ALA 60 lone 2 100 - 2 - Peak 8327 from aliabs.peaks (2.03, 1.34, 16.46 ppm; 3.42 A): 0 out of 6 assignments used, low quality = 0.29: HB3 GLU 37 - QB ALA 60 OK 16 100 - 16 - 3.0/8328=13 HB2 GLU 37 - QB ALA 60 OK 16 100 - 16 - 3.0/8328=13 HB3 LYS 34 - QB ALA 60 lone 6 98 - 6 - 9180/8319=2 HB2 GLU 90 - QB ALA 60 lone 3 89 - 3 - 3.0/9852=1 HG3 GLU 122 - QB ALA 60 lone 2 72 - 3 - HB2 PRO 33 - QB ALA 60 lone 2 72 - 2 - Peak 8328 from aliabs.peaks (2.38, 1.34, 16.46 ppm; 3.72 A): 0 out of 3 assignments used, low quality = 0.36: HG3 GLU 37 - QB ALA 60 OK 27 99 - 27 - 3.0/8327=11, 3.0/8327=11...(6) HG3 MET 11 - QB ALA 60 OK 12 96 - 13 - ~10591=2, 9127/11586=2...(5) HG2 GLN 25 - QB ALA 60 poor 10 94 - 10 - 1606/4.8=2, 1614/4.8=2...(4) Peak 8330 from aliabs.peaks (0.57, 3.60, 57.58 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.81: QG2 ILE 58 + HA LYS 61 OK 81 100 - 81 - 8279=42, 8295/3.0=23...(19) Peak 8331 from aliabs.peaks (0.59, 1.96, 30.20 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.91: QD1 LEU 132 + HB2 LYS 61 OK 80 89 - 90 - 8332/1.8=15, 8337/4.6=14...(27) QG1 VAL 71 + HB2 LYS 61 OK 37 100 - 37 - 8337/4.6=5, 8332/1.8=5...(11) QD1 LEU 66 + HB2 LYS 61 OK 30 89 - 33 - 8337/4.6=4, 8322/3.8=4...(11) Peak 8332 from aliabs.peaks (0.55, 2.08, 30.20 ppm; 5.82 A): 5 out of 6 assignments used, quality = 0.94: QD1 ILE 58 + HB3 LYS 61 OK 78 81 - 95 - ~8330=32, ~8279=28...(25) QG2 ILE 58 + HB3 LYS 61 OK 48 57 - 83 - 8330/3.0=18, 8322/3.8=16...(23) QD1 LEU 42 + HB3 LYS 61 OK 32 98 - 33 - 8149/4.8=12, 8149/4.8=12...(6) QD1 LEU 42 + HB2 GLU 131 OK 16 86 - 18 - ~9554=5, 2.1/10404=4...(4) QD1 ILE 58 + HB2 GLU 131 OK 14 68 - 21 - 10578/4.6=6...(6) QG2 ILE 58 - HB2 GLU 131 poor 9 46 - 19 - 8294/4.6=5, 3.1/8290=3...(5) Peak 8334 from aliabs.peaks (3.95, 1.25, 25.30 ppm; 4.38 A): 6 out of 16 assignments used, quality = 0.89: HA ALA 60 + HG2 LYS 61 OK 45 85 - 53 - 1644/4.9=18, 8333/3.8=12...(10) HD3 PRO 129 + HG2 LYS 61 OK 40 100 - 40 - 4360/3.0=4, 3.0/1685=3...(20) HA ALA 60 + HG3 LYS 61 OK 33 62 - 53 - 1644/4.9=18, 8333/3.8=12...(10) HD3 PRO 129 + HG3 LYS 61 OK 32 80 - 40 - 4360/3.0=4, 3.6/10269=3...(20) HA PHE 106 + HG2 LYS 61 OK 16 94 - 17 - 3.0/10528=4, ~10528=4...(7) HA PHE 106 + HG3 LYS 61 OK 12 71 - 17 - 3.0/10528=4, 8333/3.8=3...(6) HA LYS 86 - HG2 LYS 61 lone 10 100 - 10 - ~8868=3, 3.0/8868=3 HA LYS 86 - HG3 LYS 61 poor 9 81 - 11 - 3.0/8868=5, ~8868=2 HA3 GLY 94 - HG2 LYS 61 lone 4 85 - 5 - 6562/4.9=1, 8333/3.8=1 HA LEU 29 - HG2 LYS 61 lone 3 100 - 3 - HA3 GLY 94 - HG3 LYS 61 lone 3 62 - 4 - 6562/4.9=1, 8333/3.8=1 HA LEU 29 - HG3 LYS 61 lone 2 80 - 3 - HB3 SER 103 - HG2 LYS 61 lone 2 62 - 3 - HA3 GLY 143 - HG2 LYS 61 lone 1 68 - 2 - HB3 SER 103 - HG3 LYS 61 lone 1 43 - 3 - HA3 GLY 143 - HG3 LYS 61 lone 1 47 - 2 - Peak 8335 from aliabs.peaks (0.60, 2.92, 41.80 ppm; 5.43 A): 6 out of 6 assignments used, quality = 0.93: QD1 LEU 132 + HE2 LYS 61 OK 63 99 - 64 - 8331/4.8=13, 8332/4.8=10...(24) QD1 LEU 132 + HE3 LYS 61 OK 59 93 - 64 - 8331/4.8=13, 8332/4.8=10...(24) QD1 LEU 66 + HE2 LYS 61 OK 18 99 - 18 - 8331/4.8=4, 8330/5.8=3...(7) QG1 VAL 71 + HE2 LYS 61 OK 17 99 - 17 - 8331/4.8=5, 8332/4.8=3...(6) QD1 LEU 66 + HE3 LYS 61 OK 17 93 - 18 - 8331/4.8=4, 8330/5.8=3...(7) QG1 VAL 71 + HE3 LYS 61 OK 16 93 - 18 - 8331/4.8=5, 8332/4.8=3...(6) Peak 8336 from aliabs.peaks (0.71, 2.92, 41.80 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.57: QD2 LEU 87 + HE2 LYS 61 OK 25 100 - 25 - 8336=6, 8336/1.8=5...(9) QD2 LEU 87 + HE3 LYS 61 OK 23 95 - 24 - 8336=6, 8336/1.8=5...(9) QD1 LEU 87 + HE2 LYS 61 OK 15 85 - 18 - 2.1/8336=5, ~8336=3...(7) QD1 LEU 87 + HE3 LYS 61 OK 14 78 - 18 - 2.1/8336=4, ~8336=3...(6) Peak 8344 from aliabs.peaks (0.90, 2.26, 33.54 ppm; 4.43 A): 9 out of 12 assignments used, quality = 0.93: QG2 VAL 80 + HG2 GLN 62 OK 43 94 - 46 - 8342/2.9=12, ~8759=9...(10) QG2 VAL 80 + HG3 GLN 62 OK 43 94 - 46 - 8342/2.9=12, ~8759=9...(10) QD1 ILE 101 + HG2 GLN 62 OK 24 98 - 25 - 10131/1.8=4, 8342/2.9=4...(6) QD1 ILE 101 + HG3 GLN 62 OK 24 98 - 25 - 10131/1.8=5, 8342/2.9=4...(6) QG2 ILE 101 + HG2 GLN 62 OK 20 94 - 21 - 3.1/10131=3, 8339/3.5=3...(9) QG2 ILE 101 + HG3 GLN 62 OK 20 94 - 21 - 8339/3.5=3, ~10131=3...(9) QD1 LEU 97 + HG2 GLN 62 OK 19 99 - 20 - 8339/3.5=11, 3.7/10931=2...(5) QD1 LEU 97 + HG3 GLN 62 OK 19 99 - 20 - 8339/3.5=11, 3.7/10931=2...(5) QG2 ILE 136 + HG2 GLN 62 OK 10 98 - 10 - 8339/3.5=3, 9683/8345=1 QG2 ILE 136 - HG3 GLN 62 poor 10 98 - 10 - 8339/3.5=3, 9683/8345=1 QG2 ILE 56 - HG3 GLN 62 lone 6 89 - 7 - 8339/3.5=3 QG2 ILE 56 - HG2 GLN 62 lone 6 88 - 7 - 8339/3.5=3 Peak 8345 from aliabs.peaks (0.61, 2.26, 33.54 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.77: QD1 LEU 132 + HG3 GLN 62 OK 44 72 - 61 - 8346/2.9=15, 8347/2.9=10...(17) QD1 LEU 132 + HG2 GLN 62 OK 43 72 - 61 - 8346/2.9=15, 8347/2.9=10...(17) QD1 LEU 66 + HG3 GLN 62 OK 14 72 - 20 - 8347/2.9=6, 8346/2.9=4 QD1 LEU 66 + HG2 GLN 62 OK 14 72 - 20 - 8347/2.9=6, 8346/2.9=4 Peak 8348 from aliabs.peaks (0.56, 4.02, 62.82 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.78: QG2 ILE 58 + HA VAL 63 OK 57 72 - 79 - 8349/3.0=18, 3.1/8284=15...(22) QD1 ILE 58 + HA VAL 63 OK 48 68 - 71 - 8350/3.2=21, 8284=16...(14) QD1 LEU 42 - HA VAL 63 lone 8 92 - 9 - 8350/3.2=3, 8349/3.0=2 QG2 ILE 58 - HB3 SER 100 lone 2 34 - 7 - 8281=1, 3.2/10955=1 QD1 ILE 58 - HB3 SER 100 lone 2 32 - 6 - 3.1/8281=1 QD1 LEU 42 - HB3 SER 100 lone 1 47 - 1 - Peak 8349 from aliabs.peaks (0.56, 2.00, 31.91 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.84: QG2 ILE 58 + HB VAL 63 OK 84 89 - 95 - 8350/2.1=20, 3.1/8349=18...(29) QD1 LEU 42 - HB VAL 63 lone 7 77 - 9 - 8350/2.1=4, 8348/3.0=2 Peak 8350 from aliabs.peaks (0.55, 0.93, 21.61 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.69: QD1 ILE 58 + QG1 VAL 63 OK 69 92 - 76 - 8292=24, 8351/2.1=22...(17) QD1 LEU 42 - QG1 VAL 63 lone 10 100 - 10 - 8351/2.1=3, 8348/3.2=1 Peak 8351 from aliabs.peaks (0.54, 0.95, 20.53 ppm; 3.22 A): 2 out of 2 assignments used, quality = 0.84: QD1 ILE 58 + QG2 VAL 63 OK 82 100 - 82 - 8351=30, 8350/2.1=26...(19) QD1 LEU 42 + QG2 VAL 63 OK 10 98 - 10 - 8350/2.1=4, 10701/10700=1 Peak 8352 from aliabs.peaks (1.65, 0.95, 20.53 ppm; 3.68 A): 4 out of 11 assignments used, quality = 0.88: HB2 PRO 57 + QG2 VAL 63 OK 62 96 - 64 - 1.8/9830=18, ~8363=10...(14) HB3 LEU 26 + QG2 VAL 63 OK 58 98 - 59 - 3.2/10575=14...(15) HB VAL 71 + QG2 VAL 63 OK 14 68 - 21 - 8352=6, 3.8/1807=5...(5) HG2 ARG 124 + QG2 VAL 63 OK 13 100 - 13 - 8352=4, 11071/9866=1 HD3 LYS 93 - QG2 VAL 63 poor 9 72 - 13 - ~10956=4, ~11455=3, ~10169=1 HB2 LYS 114 - QG2 VAL 63 lone 8 100 - 8 - 8352=1 HD2 LYS 48 - QG2 VAL 63 lone 6 68 - 9 - 8352=2, ~11455=2...(4) HB2 LEU 95 - QG2 VAL 63 lone 4 68 - 7 - 8352=2, 3.9/9057=1, ~10956=1 HG13 ILE 136 - QG2 VAL 63 lone 4 62 - 7 - ~10466=1, ~10661=1 HG2 ARG 140 - QG2 VAL 63 lone 4 100 - 4 - HG2 ARG 89 - QG2 VAL 63 lone 2 68 - 2 - Peak 8353 from aliabs.peaks (1.15, 0.95, 20.53 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.84: HG LEU 64 + QG2 VAL 63 OK 74 100 - 74 - ~9869=14, 8353=13...(30) QG2 THR 92 + QG2 VAL 63 OK 29 96 - 30 - 8353=10, 8356/2.1=5...(5) HG2 LYS 76 + QG2 VAL 63 OK 11 68 - 17 - 8353=4, 8356/2.1=4...(4) Peak 8354 from aliabs.peaks (1.27, 4.02, 62.82 ppm; 4.08 A): 5 out of 12 assignments used, quality = 0.61: QG2 THR 99 + HB3 SER 100 OK 27 56 - 48 - 10118=14, 10160/1.8=11...(6) QG2 THR 99 + HA VAL 63 OK 17 100 - 17 - 10118=7, 9153/3.0=3 HB2 LEU 132 + HA VAL 63 OK 15 98 - 15 - ~9600=2, ~9596=2...(6) HB2 LEU 132 + HB3 SER 100 OK 14 53 - 27 - 9161/3.0=6, 4478/4.1=6...(9) HB3 LEU 97 + HA VAL 63 OK 11 96 - 11 - ~11455=2, 10405/10401=2...(4) HG3 LYS 61 - HB3 SER 100 poor 7 47 - 15 - ~9161=3, ~9164=3...(7) QG2 THR 102 - HA VAL 63 lone 6 100 - 6 - 10509/8364=2, 10187/8364=1 HB3 LEU 97 - HB3 SER 100 poor 6 51 - 11 - 9161/3.0=3, 7177/4.1=3...(5) HG3 LYS 61 - HA VAL 63 lone 5 92 - 5 - 10845/8348=2, ~10291=1 HG2 LYS 61 - HB3 SER 100 poor 4 29 - 13 - ~9161=3, ~9164=2...(6) HG2 LYS 61 - HA VAL 63 lone 2 62 - 4 - 10845/8348=1, ~10291=1 QG2 THR 102 - HB3 SER 100 lone 2 57 - 3 - Peak 8355 from aliabs.peaks (1.86, 4.02, 62.82 ppm; 4.28 A): 6 out of 18 assignments used, quality = 0.78: HB3 GLU 28 + HA VAL 63 OK 31 96 - 32 - ~9868=13, 10860=11...(5) HB3 LYS 85 + HA VAL 63 OK 23 100 - 23 - 1.8/10956=10, 3.9/6948=6...(5) HG LEU 69 + HB3 SER 100 OK 22 55 - 41 - ~8465=12, ~8462=8...(13) HG LEU 69 + HA VAL 63 OK 21 99 - 22 - ~9871=6, ~8356=5...(6) HB3 LYS 76 + HA VAL 63 OK 19 98 - 19 - ~8356=3, ~8356=2...(9) HB3 LEU 126 + HA VAL 63 OK 17 100 - 17 - 4.2/11450=4, ~9866=4...(7) HB2 LYS 48 - HA VAL 63 lone 6 98 - 6 - 4.9/10169=1, 4.9/10169=1 HB2 LYS 36 - HA VAL 63 lone 5 81 - 6 - 4.5/6226=2, ~9872=1 HB3 LYS 48 - HA VAL 63 lone 4 81 - 5 - 4.9/10169=1, 4.9/10169=1 HB2 ARG 144 - HA VAL 63 lone 4 92 - 4 - HB3 LYS 85 - HB3 SER 100 lone 2 56 - 4 - 3.9/6948=2 HB3 LYS 76 - HB3 SER 100 lone 1 53 - 2 - HB3 LEU 126 - HB3 SER 100 lone 1 56 - 2 - HB2 LYS 48 - HB3 SER 100 lone 1 53 - 2 - HB3 LYS 48 - HB3 SER 100 lone 1 40 - 2 - HB2 LYS 36 - HB3 SER 100 lone 1 40 - 1 - HB3 GLU 28 - HB3 SER 100 lone 1 51 - 1 - HB2 ARG 144 - HB3 SER 100 lone 0 47 - 1 - Peak 8356 from aliabs.peaks (1.16, 2.00, 31.91 ppm; 4.61 A): 3 out of 3 assignments used, quality = 0.89: HG LEU 64 + HB VAL 63 OK 78 92 - 84 - 8353/2.1=28, ~9869=24...(25) QG2 THR 92 + HB VAL 63 OK 37 100 - 37 - 8356=13, 8353/2.1=11...(8) HG2 LYS 76 + HB VAL 63 OK 24 92 - 26 - 8356=10, 8353/2.1=4...(7) Peak 8358 from aliabs.peaks (3.75, 0.95, 20.53 ppm; 4.37 A): 0 out of 3 assignments used, low quality = 0.38: HA3 GLY 15 - QG2 VAL 63 OK 23 100 - 23 - 8026/8351=8, 1.8/8358=6...(6) HA2 GLY 15 - QG2 VAL 63 OK 19 89 - 21 - 8026/8351=7, 1.8/8358=6...(4) QA GLY 2 - QG2 VAL 63 lone 2 100 - 2 - Peak 8360 from aliabs.peaks (2.39, 0.95, 20.53 ppm; 3.31 A): 5 out of 5 assignments used, quality = 0.84: HG3 GLN 25 + QG2 VAL 63 OK 53 77 - 69 - ~8361=14, 2.9/9829=11...(16) HG2 MET 59 + QG2 VAL 63 OK 35 89 - 39 - 1.8/8360=5, 8360=4...(18) HG3 MET 59 + QG2 VAL 63 OK 29 77 - 38 - 1.8/8360=5, 8360=5...(17) HG2 MET 46 + QG2 VAL 63 OK 14 81 - 17 - 3.3/10700=3, 3.0/9830=3...(5) HG3 GLU 37 + QG2 VAL 63 OK 13 96 - 13 - 8360=2, 3.8/1803=2...(4) Peak 8361 from aliabs.peaks (2.37, 0.93, 21.61 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.82: HG2 GLN 25 + QG1 VAL 63 OK 76 100 - 77 - 10586=14, 3.5/9836=14...(18) HG3 MET 11 + QG1 VAL 63 OK 15 100 - 14 - 41/2.1=2, 3.3/1799=1, 8360/2.1=1 HG3 GLU 37 + QG1 VAL 63 OK 10 89 - 11 - 3.8/1798=2, 781/3.2=2...(5) Peak 8362 from aliabs.peaks (4.43, 0.95, 20.53 ppm; 4.32 A): 3 out of 4 assignments used, quality = 0.95: HA ILE 58 + QG2 VAL 63 OK 88 100 - 88 - 4.1/8351=28...(15) HA ASP 40 + QG2 VAL 63 OK 38 94 - 40 - 8362=7, 8363/2.1=7...(12) HA ASN 84 + QG2 VAL 63 OK 37 100 - 37 - 8364/3.2=7, 9877/2.1=5...(11) HB THR 18 - QG2 VAL 63 OK 36 100 - 36 - ~10864=10, ~9871=6...(8) Peak 8363 from aliabs.peaks (4.42, 2.00, 31.91 ppm; 3.78 A): 3 out of 3 assignments used, quality = 0.79: HA PRO 57 + HB VAL 63 OK 62 100 - 62 - 8363=27, 11303/2.1=10...(10) HA ASP 40 + HB VAL 63 OK 31 89 - 35 - 8363=14, 11303/2.1=6...(9) HA PRO 33 + HB VAL 63 OK 18 99 - 18 - 8363=8, 11303/2.1=3...(5) Peak 8364 from aliabs.peaks (4.44, 4.02, 62.82 ppm; 3.29 A): 4 out of 8 assignments used, quality = 0.86: HA ILE 58 + HA VAL 63 OK 70 100 - 70 - 10955=28, 3.2/8348=12...(13) HA ASN 84 + HA VAL 63 OK 31 99 - 32 - 3.0/2561=4, 3.0/2553=4...(11) HA ASP 40 + HA VAL 63 OK 18 72 - 25 - 2.9/6273=5, 3.0/877=3...(9) HB THR 18 + HA VAL 63 OK 17 100 - 17 - ~10864=4, 11272/3.6=3...(7) HA ASN 84 - HB3 SER 100 lone 5 55 - 10 - 2551/4.5=2, 2.9/6919=1...(6) HA ILE 58 - HB3 SER 100 lone 3 56 - 6 - 10955=2, 3.2/8281=1 HB THR 18 - HB3 SER 100 lone 1 56 - 2 - HA ASP 40 - HB3 SER 100 lone 1 34 - 2 - Peak 8367 from aliabs.peaks (7.82, 0.95, 20.53 ppm; 4.12 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8368 from aliabs.peaks (2.07, 1.63, 42.22 ppm; 4.72 A): 6 out of 10 assignments used, quality = 0.85: HG3 PRO 98 + HB3 LEU 64 OK 60 89 - 68 - ~9142=14, 10147/3.8=13...(14) HG3 PRO 98 + HB2 LEU 87 OK 27 56 - 48 - ~9145=8, ~9146=7...(10) HB3 GLN 62 + HB2 LEU 87 OK 19 66 - 29 - ~2786=3, 1765/3.0=3...(15) HB3 GLN 62 + HB3 LEU 64 OK 17 98 - 18 - 8343/1.8=8, ~8344=3...(4) HA ARG 35 + HB3 LEU 64 OK 15 99 - 15 - ~9848=4, ~10988=2...(5) HB2 LEU 26 + HB3 LEU 64 OK 11 62 - 18 - ~10569=4, ~10900=3...(6) HB2 PRO 52 - HB3 LEU 64 lone 4 77 - 6 - HA ARG 35 - HB2 LEU 87 lone 3 67 - 4 - 2.8/6179=2 HB2 PRO 52 - HB2 LEU 87 lone 1 47 - 3 - HB2 LEU 26 - HB2 LEU 87 lone 1 36 - 4 - Peak 8369 from aliabs.peaks (3.72, 0.65, 25.42 ppm; 4.26 A): 5 out of 5 assignments used, quality = 0.93: HA ILE 91 + QD2 LEU 64 OK 58 85 - 67 - ~8968=12, 8969/2.1=10...(22) HA LEU 108 + QD2 LEU 64 OK 49 77 - 64 - 11018/2.1=11, 3.0/1842=7...(26) HA THR 107 + QD2 LEU 64 OK 46 81 - 56 - 3.2/10916=17, ~10222=11...(11) HB THR 74 + QD2 LEU 64 OK 30 92 - 32 - 8605=9, 3.0/8603=5...(9) HA ILE 136 + QD2 LEU 64 OK 15 62 - 23 - 3.7/11015=10...(5) Peak 8370 from aliabs.peaks (3.39, 0.65, 25.42 ppm; 4.48 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8372 from aliabs.peaks (2.78, 0.65, 25.42 ppm; 4.02 A): 1 out of 5 assignments used, quality = 0.53: HG3 GLN 111 + QD2 LEU 64 OK 53 100 - 53 - 3.0/11014=14...(11) HB3 ASN 84 - QD2 LEU 64 poor 10 89 - 11 - ~8855=3, 9844=2 HB3 TYR 119 - QD2 LEU 64 lone 10 100 - 10 - 9844=3, 9435/2.1=1 HB2 ASP 41 - QD2 LEU 64 lone 7 81 - 8 - 1.8/9844=1, 9844=1 HB3 ASP 41 - QD2 LEU 64 lone 4 62 - 7 - 9844=2, 1.8/9844=1 Peak 8373 from aliabs.peaks (2.14, 0.65, 25.42 ppm; 3.71 A): 4 out of 7 assignments used, quality = 0.77: HG LEU 29 + QD2 LEU 64 OK 58 77 - 75 - 8373=22, 3.0/10623=17...(22) HB2 GLU 75 + QD2 LEU 64 OK 19 62 - 30 - 1.8/11013=5, ~8634=4...(9) HB3 GLN 133 + QD2 LEU 64 OK 18 100 - 18 - 8373=7, 1.8/8373=6...(4) HB2 GLN 133 + QD2 LEU 64 OK 18 100 - 18 - 8373=7, 1.8/8373=6, ~9615=1 HG3 PRO 118 - QD2 LEU 64 lone 7 100 - 7 - 8373=2, 2.3/9842=1 HG2 GLU 81 - QD2 LEU 64 lone 7 92 - 8 - 8373=2, 4.9/9848=1 HB VAL 53 - QD2 LEU 64 lone 4 62 - 7 - 9892/11376=1 Peak 8374 from aliabs.peaks (2.40, 0.65, 25.42 ppm; 4.07 A): 3 out of 5 assignments used, quality = 0.98: HG3 MET 59 + QD2 LEU 64 OK 74 100 - 74 - 8378/2.1=12...(26) HG2 MET 59 + QD2 LEU 64 OK 74 100 - 74 - 8378/2.1=13...(26) HB ILE 91 + QD2 LEU 64 OK 70 94 - 74 - 8968/2.1=18, 8378/2.1=10...(23) HG3 GLN 25 - QD2 LEU 64 OK 24 100 - 24 - 10930/4.9=5, 8378/2.1=3...(7) HG2 MET 46 - QD2 LEU 64 OK 18 100 - 18 - 3.0/10711=4, 8378/2.1=3...(5) Peak 8376 from aliabs.peaks (3.69, 0.87, 22.38 ppm; 4.04 A): 0 out of 1 assignment used, low quality = 0.43: HA ILE 83 - QD1 LEU 64 OK 43 62 - 69 - 3.0/10627=15, 2.9/6911=8...(21) Peak 8378 from aliabs.peaks (2.39, 0.87, 22.38 ppm; 3.41 A): 5 out of 6 assignments used, quality = 0.94: HG2 MET 59 + QD1 LEU 64 OK 62 100 - 62 - 8378=14, 3.0/11016=10...(19) HG3 MET 59 + QD1 LEU 64 OK 60 96 - 62 - 1.8/8378=11, 8378=10...(19) HB ILE 91 + QD1 LEU 64 OK 50 81 - 62 - 8378=11, 8968/2.1=10...(22) HG3 GLN 25 + QD1 LEU 64 OK 15 96 - 16 - 10930/4.5=4, 8374/2.1=2...(4) HG2 MET 46 + QD1 LEU 64 OK 15 98 - 15 - ~10711=3, 8374/2.1=2...(7) HG3 GLU 37 - QD1 LEU 64 lone 4 77 - 5 - Peak 8381 from aliabs.peaks (0.96, 2.48, 38.87 ppm; 4.02 A): 5 out of 5 assignments used, quality = 0.90: QD1 LEU 29 + HB2 ASP 65 OK 57 72 - 79 - 2.1/8066=26, 8065=22...(11) QG2 VAL 63 + HB2 ASP 65 OK 55 81 - 67 - 8383/1.8=25, 8387/3.0=23...(8) QG2 THR 51 + HB2 ASP 65 OK 25 99 - 25 - 2.1/1862=6, 1319/3.0=5...(8) HG3 ARG 35 + HB2 ASP 65 OK 18 100 - 18 - ~11188=6, ~10901=4...(6) HB2 LEU 39 + HB2 ASP 65 OK 16 62 - 26 - 11442/4.6=6, ~8115=5...(6) Peak 8382 from aliabs.peaks (0.80, 2.48, 38.87 ppm; 4.73 A): 6 out of 6 assignments used, quality = 0.86: QD2 LEU 95 + HB2 ASP 65 OK 40 100 - 40 - 8384/1.8=15, 9853/4.0=9...(10) QD1 LEU 79 + HB2 ASP 65 OK 34 100 - 34 - 8384/1.8=12, 9853/4.0=10...(6) QG1 VAL 80 + HB2 ASP 65 OK 28 92 - 30 - 8384/1.8=6, 2.1/11481=5...(9) QG2 THR 74 + HB2 ASP 65 OK 22 100 - 22 - 8384/1.8=8, 9853/4.0=6...(5) QD2 LEU 126 + HB2 ASP 65 OK 22 92 - 24 - 11441/4.6=6, 9853/4.0=6...(5) QD2 LEU 72 + HB2 ASP 65 OK 18 92 - 20 - 8430/11529=5, 8384/1.8=5...(5) Peak 8383 from aliabs.peaks (0.94, 3.04, 38.87 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.70: QG1 VAL 63 + HB3 ASP 65 OK 51 81 - 63 - 10937/1.8=18, ~8387=17...(9) QG2 VAL 63 + HB3 ASP 65 OK 38 77 - 49 - ~10937=17, 10867/3.0=13...(7) QG2 ILE 91 - HB3 ASP 65 lone 9 100 - 9 - 8387/3.0=2, 6623/4.0=2 HB2 LEU 108 - HB3 ASP 65 poor 7 68 - 11 - 8387/3.0=6, ~11446=2 QG1 VAL 53 - HB3 ASP 65 lone 5 96 - 6 - 9838/4593=1, 9834/6654=1 Peak 8384 from aliabs.peaks (0.80, 3.04, 38.87 ppm; 4.70 A): 6 out of 6 assignments used, quality = 0.84: QD2 LEU 95 + HB3 ASP 65 OK 39 100 - 39 - 8382/1.8=13, 9853/4.0=8...(15) QD1 LEU 79 + HB3 ASP 65 OK 33 100 - 34 - 8382/1.8=11, 9853/4.0=10...(8) QG1 VAL 80 + HB3 ASP 65 OK 23 81 - 28 - 8382/1.8=7, 2.1/9887=5...(7) QG2 THR 74 + HB3 ASP 65 OK 22 99 - 22 - 8382/1.8=7, 9853/4.0=6...(4) QD2 LEU 72 + HB3 ASP 65 OK 19 98 - 19 - 8382/1.8=4, ~8386=3...(8) QD2 LEU 126 + HB3 ASP 65 OK 19 81 - 23 - 8382/1.8=7, 9853/4.0=6...(4) Peak 8385 from aliabs.peaks (1.73, 4.36, 52.38 ppm; 5.11 A): 5 out of 10 assignments used, quality = 0.78: HB3 ARG 144 + HA ASP 65 OK 42 100 - 42 - 4893=7, 1.8/4884=6...(16) HB3 GLU 81 + HA ASP 65 OK 28 99 - 29 - 2454/3.6=9, 3.0/8768=6...(8) HB2 GLU 81 + HA ASP 65 OK 27 92 - 29 - 2447/3.6=8, 3.0/8768=6...(6) HB3 ARG 109 + HA ASP 65 OK 16 89 - 17 - 6640/3.6=6, ~3526=5...(5) HD2 LYS 36 + HA ASP 65 OK 15 100 - 15 - 2454/3.6=3, ~9887=2...(6) HG3 ARG 89 - HA ASP 65 lone 8 96 - 8 - 6640/3.6=2 HB ILE 58 - HA ASP 65 lone 7 100 - 7 - 279/10818=1, 271/10902=1 HB2 ARG 49 - HA ASP 65 lone 6 85 - 7 - 10659/8062=1 HB2 LYS 85 - HA ASP 65 lone 3 77 - 4 - 2582/11615=2 HG3 ARG 140 - HA ASP 65 lone 2 89 - 3 - Peak 8386 from aliabs.peaks (1.16, 4.36, 52.38 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.59: HG LEU 64 + HA ASP 65 OK 40 72 - 55 - 6625/3.0=16, ~1855=15...(9) HG2 LYS 76 + HA ASP 65 OK 22 100 - 23 - 9882/3.6=4, 8075/8062=4...(7) QG2 THR 92 + HA ASP 65 OK 11 98 - 11 - 10090/11615=3...(3) Peak 8387 from aliabs.peaks (0.97, 4.36, 52.38 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.93: QD1 LEU 29 + HA ASP 65 OK 81 100 - 81 - 8062=29, 8065/3.0=22...(16) QG2 THR 51 + HA ASP 65 OK 35 96 - 36 - 1319=6, 8381/3.0=5...(14) HB2 LEU 39 + HA ASP 65 OK 31 98 - 31 - 11442/3.6=10, 3.2/8388=6...(10) HG3 ARG 35 + HA ASP 65 OK 16 77 - 21 - 1.8/11188=10...(6) Peak 8388 from aliabs.peaks (0.69, 4.36, 52.38 ppm; 5.36 A): 3 out of 3 assignments used, quality = 0.90: QD2 LEU 66 + HA ASP 65 OK 71 99 - 72 - 2.1/9885=34, 4.5/1860=30...(10) QD2 LEU 39 + HA ASP 65 OK 57 98 - 58 - 6642/3.6=11, 8118/3.0=9...(15) QD1 ILE 83 + HA ASP 65 OK 16 85 - 19 - 6642/3.6=5, ~6627=4...(6) Peak 8390 from aliabs.peaks (1.01, 3.84, 56.99 ppm; 3.74 A): 4 out of 4 assignments used, quality = 0.89: QD1 LEU 116 + HA LEU 66 OK 60 92 - 66 - 9372=11, 9889/4.0=11...(24) QD2 LEU 69 + HA LEU 66 OK 55 96 - 58 - 8462=11, 5.0/1879=10...(14) HG12 ILE 136 + HA LEU 66 OK 29 77 - 38 - 2.1/9666=8, 2.3/10328=7...(10) QG2 VAL 53 + HA LEU 66 OK 12 68 - 17 - 11233/3.6=6, 9862/4.0=4...(4) Peak 8391 from aliabs.peaks (0.99, 1.58, 43.18 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.99: HG12 ILE 136 + HB2 LEU 66 OK 83 92 - 91 - ~9892=15, ~9901=15...(29) QD1 LEU 116 + HB2 LEU 66 OK 76 77 - 98 - ~8390=25, 2.1/11090=21...(35) HB2 LEU 39 + HB2 LEU 66 OK 67 68 - 99 - ~10792=25, ~11159=25...(41) Peak 8392 from aliabs.peaks (0.98, 1.47, 43.18 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.98: HB2 LEU 39 + HB3 LEU 66 OK 96 100 - 97 - 10990/3.1=21...(41) HG3 ARG 35 + HB3 LEU 66 OK 48 68 - 71 - ~11466=15, 10990/3.1=14...(18) QD1 LEU 29 - HB3 LEU 66 OK 26 100 - 26 - 8407/4.4=9, 10990/3.1=5...(7) QG2 THR 51 - HB3 LEU 66 OK 21 92 - 23 - 8213/3.0=6, 8407/4.4=5...(5) Peak 8393 from aliabs.peaks (7.51, 3.84, 56.99 ppm; 6.31 A): 1 out of 1 assignment used, quality = 0.90: H TYR 70 + HA LEU 66 OK 90 96 - 94 - 9906/4.0=39, 1930/5.0=32...(18) Peak 8396 from aliabs.peaks (6.27, 4.20, 58.65 ppm; 4.54 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8400 from aliabs.peaks (4.33, 0.69, 24.82 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.63: HA PRO 12 + QD2 LEU 66 OK 43 98 - 44 - 8400=22, 69/2.1=5...(9) HA ILE 56 + QD2 LEU 66 OK 34 62 - 54 - 3.8/8402=17, 3.8/8402=17...(7) HA THR 18 - QD2 LEU 66 lone 5 81 - 6 - ~9857=3, 3.2/9899=1 Peak 8402 from aliabs.peaks (3.34, 0.69, 24.82 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.86: HB3 PHE 38 + QD2 LEU 66 OK 74 99 - 75 - 8521/2.1=35, 2.6/8394=32...(7) HD3 ARG 109 + QD2 LEU 66 OK 44 62 - 71 - 9274=9, 3.6/9273=9...(26) Peak 8403 from aliabs.peaks (2.98, 0.69, 24.82 ppm; 5.03 A): 3 out of 6 assignments used, quality = 0.92: HA VAL 71 + QD2 LEU 66 OK 74 99 - 75 - 9898/2.1=23, 4.9/8400=13...(19) HA VAL 82 + QD2 LEU 66 OK 65 94 - 69 - 2.9/1914=16, ~1906=12...(17) HB3 TYR 27 + QD2 LEU 66 OK 12 62 - 19 - 9898/2.1=6, 2.6/9907=5...(5) HB2 ASP 30 - QD2 LEU 66 lone 6 77 - 8 - 3.8/1921=3, 9898/2.1=2 HB2 HIS 14 - QD2 LEU 66 lone 6 85 - 6 - 11054/9788=3, 9898/2.1=1 HB3 ASN 128 - QD2 LEU 66 lone 2 77 - 3 - Peak 8404 from aliabs.peaks (2.70, 0.69, 24.82 ppm; 5.54 A): 4 out of 4 assignments used, quality = 0.88: HB3 TYR 115 + QD2 LEU 66 OK 63 68 - 93 - ~9367=26, 4.5/9907=25...(20) HB2 ASP 137 + QD2 LEU 66 OK 38 89 - 43 - 8404=15, 9897/2.1=14...(6) HB3 CYS 121 + QD2 LEU 66 OK 37 98 - 38 - 8404=16, 9897/2.1=15...(4) HB2 ASP 32 + QD2 LEU 66 OK 15 81 - 19 - 8404=5, 10813/9910=3...(5) Peak 8405 from aliabs.peaks (0.35, 0.69, 24.82 ppm; 3.91 A): 3 out of 3 assignments used, quality = 0.88: QD2 LEU 42 + QD2 LEU 66 OK 75 100 - 75 - 8405=49, 9893/2.1=18...(17) QD1 ILE 91 + QD2 LEU 66 OK 36 98 - 36 - 2.1/9862=15, 9859/2.1=13...(6) HG2 LYS 123 + QD2 LEU 66 OK 25 92 - 27 - 4.8/9475=7, 3.0/1917=4...(11) Peak 8412 from aliabs.peaks (1.02, 4.20, 58.65 ppm; 4.96 A): 4 out of 4 assignments used, quality = 0.84: QD2 LEU 69 + HA PHE 67 OK 53 100 - 53 - 4.8/1930=23, 8390/5.0=13...(7) QG2 VAL 53 + HA PHE 67 OK 36 94 - 38 - 11233/2.8=17, ~9834=8...(8) QD2 LEU 116 + HA PHE 67 OK 33 72 - 46 - 8390/5.0=12, 10222/3.7=6...(13) QD1 LEU 116 + HA PHE 67 OK 22 62 - 36 - 8390/5.0=10, ~11096=3...(12) Peak 8413 from aliabs.peaks (0.72, 4.20, 58.65 ppm; 5.16 A): 0 out of 2 assignments used, low quality = 0.37: QD1 LEU 87 - HA PHE 67 OK 21 98 - 22 - 2.1/8904=10, 8895/3.0=5...(4) QD2 LEU 87 - HA PHE 67 OK 20 94 - 21 - 8904=9, ~8895=3, ~8895=3...(5) Peak 8414 from aliabs.peaks (6.82, 1.91, 15.03 ppm; 5.67 A): 3 out of 3 assignments used, quality = 0.86: QD PHE 67 + QE MET 68 OK 60 68 - 88 - 4.8/1991=33, 2.6/8450=28...(16) H LYS 76 + QE MET 68 OK 54 98 - 56 - 3.6/8421=19, 8415/3.3=11...(15) HZ2 TRP 88 + QE MET 68 OK 24 68 - 36 - 8415/3.3=8, 6668/5.9=6...(11) Peak 8415 from aliabs.peaks (6.82, 2.54, 31.81 ppm; 5.64 A): 3 out of 3 assignments used, quality = 0.81: QD PHE 67 + HG3 MET 68 OK 62 68 - 92 - 4.8/1983=33, 8414/3.3=20...(19) H LYS 76 + HG3 MET 68 OK 38 98 - 39 - 8414/3.3=13, 6801/3.7=7...(10) HZ2 TRP 88 + HG3 MET 68 OK 22 68 - 32 - 8414/3.3=9, 6668/4.4=9...(9) Peak 8417 from aliabs.peaks (6.84, 2.43, 31.81 ppm; 5.21 A): 4 out of 6 assignments used, quality = 0.89: QD PHE 67 + HG2 MET 68 OK 79 89 - 89 - 8415/1.8=25, 8414/3.3=25...(19) HZ2 TRP 88 + HG2 MET 68 OK 26 89 - 30 - 8415/1.8=9, 8414/3.3=8...(5) QD PHE 67 + HB3 PRO 33 OK 18 84 - 22 - 4.8/1975=7, 8415/1980=3...(8) QD PHE 67 + HG2 MET 11 OK 12 49 - 25 - ~9762=11, ~10946=5...(8) HZ2 TRP 88 - HB3 PRO 33 lone 5 84 - 6 - 8415/1980=1 HZ2 TRP 88 - HG2 MET 11 lone 3 49 - 5 - 4702/8014=2 Peak 8420 from aliabs.peaks (4.27, 1.91, 15.03 ppm; 6.80 A): 6 out of 6 assignments used, quality = 0.87: HA LEU 95 + QE MET 68 OK 70 100 - 70 - 10942/3.3=31...(15) HA ARG 49 + QE MET 68 OK 18 96 - 18 - 4.8/8421=6, 5.2/8450=4 HA SER 138 + QE MET 68 OK 17 96 - 18 - 10469/4.2=4, 2.9/9697=3...(5) HA ALA 135 + QE MET 68 OK 15 77 - 20 - 2.1/9644=6, 3.6/7747=3...(5) HA3 GLY 78 + QE MET 68 OK 14 96 - 15 - 1.8/8450=6 HB THR 99 + QE MET 68 OK 11 96 - 11 - 10162/8423=2, 2.1/9152=1 Peak 8421 from aliabs.peaks (3.97, 1.91, 15.03 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.55: HA GLU 75 + QE MET 68 OK 29 81 - 36 - 3.6/8414=17...(7) HA3 GLY 94 + QE MET 68 OK 23 77 - 30 - 3.5/9060=6, 1.8/10110=5...(8) HA LYS 48 + QE MET 68 OK 18 96 - 18 - 4.8/8420=4, 10033/8451=2...(7) HA ALA 60 - QE MET 68 poor 9 77 - 11 - 4.9/1595=2, 8318/8425=2...(4) HA3 GLY 143 - QE MET 68 lone 7 92 - 8 - 10033/8451=1 HB3 SER 103 - QE MET 68 lone 6 94 - 6 - 8510/8425=1 HA PHE 106 - QE MET 68 lone 5 62 - 7 - 3.0/8422=2 Peak 8422 from aliabs.peaks (2.96, 1.91, 15.03 ppm; 4.87 A): 4 out of 9 assignments used, quality = 0.83: HB3 PHE 67 + QE MET 68 OK 65 77 - 85 - 2.6/8414=29, 4.4/1991=28...(12) HB2 ASP 30 + QE MET 68 OK 25 92 - 27 - 3.8/8419=14, 1.8/8450=8...(4) HB3 TYR 27 + QE MET 68 OK 19 98 - 19 - 10823/4.6=3, 2093/8426=2...(7) HB2 TYR 115 + QE MET 68 OK 18 72 - 25 - 2.5/8419=10, ~9873=4...(8) HE2 LYS 48 - QE MET 68 poor 9 72 - 12 - 6.0/8421=2, 3.0/1993=1...(4) HB2 PHE 106 - QE MET 68 lone 5 77 - 6 - 3.0/8421=3 HE2 LYS 93 - QE MET 68 lone 5 68 - 7 - HE2 LYS 85 - QE MET 68 lone 3 62 - 5 - 7.4/8454=2 HB2 HIS 14 - QE MET 68 lone 1 85 - 2 - Peak 8423 from aliabs.peaks (1.17, 1.91, 15.03 ppm; 5.09 A): 4 out of 4 assignments used, quality = 0.92: HB2 LEU 72 + QE MET 68 OK 63 68 - 93 - 3.4/8454=29, 3.1/8424=21...(28) QD1 LEU 69 + QE MET 68 OK 51 77 - 66 - 4.7/1998=20, 9914/3.3=10...(22) QG2 THR 92 + QE MET 68 OK 38 85 - 44 - 3.2/8451=11, 10084/4.6=6...(15) HG2 LYS 76 + QE MET 68 OK 34 100 - 34 - 5.1/8414=8, 9914/3.3=5...(11) Peak 8424 from aliabs.peaks (0.77, 1.91, 15.03 ppm; 2.73 A): 4 out of 5 assignments used, quality = 0.78: QD1 LEU 72 + QE MET 68 OK 53 99 - 54 - 9912/3.3=12, 2.1/9949=8...(17) QD1 ILE 136 + QE MET 68 OK 34 100 - 34 - 8427/3.3=5, 2.1/1993=4...(10) QG2 VAL 73 + QE MET 68 OK 16 100 - 16 - 9925/8454=2, 8427/3.3=1 QD1 LEU 108 + QE MET 68 OK 14 89 - 16 - 9945/3.3=2, 9943=2...(5) QD2 LEU 108 - QE MET 68 lone 6 62 - 10 - 2.1/9943=2, ~9945=1, 8427/3.3=1 Peak 8425 from aliabs.peaks (0.59, 1.91, 15.03 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.82: QG1 VAL 71 + QE MET 68 OK 80 94 - 84 - 2.1/8426=32, 8514=18...(25) QD1 LEU 132 + QE MET 68 OK 10 62 - 16 - 8434/3.3=2, 2096/8426=2...(5) QD1 LEU 66 - QE MET 68 poor 9 62 - 15 - 2096/8426=2, 9890=2...(4) Peak 8426 from aliabs.peaks (0.24, 1.91, 15.03 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 71 + QE MET 68 OK 90 99 - 91 - 2.1/8425=32, 8520=23...(26) Peak 8427 from aliabs.peaks (0.77, 2.54, 31.81 ppm; 3.00 A): 4 out of 5 assignments used, quality = 0.85: QD1 LEU 72 + HG3 MET 68 OK 67 100 - 68 - 9912=22, 8424/3.3=10...(27) QD1 ILE 136 + HG3 MET 68 OK 40 98 - 41 - 8424/3.3=6, 2.5/1989=4...(17) QD1 LEU 108 + HG3 MET 68 OK 14 96 - 15 - 9945=4, 8424/3.3=3...(5) QG2 VAL 73 + HG3 MET 68 OK 11 100 - 11 - 8424/3.3=3, 8437/3.7=2 QD2 LEU 108 - HG3 MET 68 poor 10 77 - 12 - 2.1/9945=4, ~11478=1...(4) Peak 8428 from aliabs.peaks (0.78, 2.43, 31.81 ppm; 3.29 A): 4 out of 15 assignments used, quality = 0.95: QD2 LEU 72 + HG2 MET 68 OK 70 89 - 79 - ~9912=16, ~9945=12...(33) QD1 LEU 72 + HG2 MET 68 OK 54 77 - 70 - 9912/1.8=17, 2.1/9952=10...(28) QD1 ILE 136 + HG2 MET 68 OK 48 96 - 50 - 8427/1.8=7, 8424/3.3=6...(19) QD2 LEU 95 + HG2 MET 68 OK 29 62 - 46 - 10095/1.8=10...(18) QG2 VAL 73 - HG2 MET 68 OK 11 89 - 12 - 8424/3.3=3, 8437/3.7=2...(4) QD2 LEU 72 - HG2 MET 11 poor 10 49 - 20 - 9952=3, 2.1/9944=2...(5) QD1 ILE 136 - HB3 PRO 33 lone 8 92 - 9 - 9667/3.0=2, 9667/3.0=1 QD1 LEU 72 - HG2 MET 11 poor 8 40 - 19 - 2.1/9952=3, 9944=2...(8) QD2 LEU 72 - HB3 PRO 33 lone 7 84 - 8 - 9952=1, 2.1/9944=1 QD1 LEU 72 - HB3 PRO 33 lone 6 72 - 8 - 9912/1980=2, 2.1/9952=1 QD1 ILE 136 - HG2 MET 11 lone 3 56 - 6 - 10341/3.3=1 QD2 LEU 95 - HB3 PRO 33 lone 3 58 - 4 - QG2 VAL 73 - HB3 PRO 33 lone 2 84 - 2 - QD2 LEU 95 - HG2 MET 11 lone 1 31 - 3 - QG2 VAL 73 - HG2 MET 11 lone 1 49 - 1 - Peak 8429 from aliabs.peaks (0.78, 1.82, 30.27 ppm; 3.46 A): 4 out of 15 assignments used, quality = 0.95: QD2 LEU 72 + HB3 MET 68 OK 67 89 - 76 - ~9912=13, 8430/1.8=10...(36) QD1 ILE 136 + HB3 MET 68 OK 54 96 - 57 - 8437/3.0=7, 8427/2.9=6...(29) QD1 LEU 72 + HB3 MET 68 OK 54 77 - 71 - 9912/2.9=15, 8424/4.2=8...(33) QD2 LEU 95 + HB3 MET 68 OK 29 62 - 47 - 10095/2.9=9, 8430/1.8=7...(19) QD1 ILE 136 - HB VAL 80 OK 12 59 - 21 - 4638/2.1=4, ~9987=2...(8) QG2 VAL 73 - HB3 MET 68 OK 12 89 - 13 - 8437/3.0=3, 8424/4.2=2...(5) QD2 LEU 72 - HB2 ARG 141 lone 7 83 - 9 - QD1 LEU 72 - HB2 ARG 141 lone 6 71 - 9 - 9912/1972=2 QD1 ILE 136 - HB2 ARG 141 lone 6 91 - 7 - QD2 LEU 72 - HB VAL 80 poor 6 52 - 11 - 2.1/2152=1, 9947/10300=1, 2144=1 QG2 VAL 73 - HB2 ARG 141 lone 5 83 - 6 - QD1 LEU 72 - HB VAL 80 poor 5 43 - 11 - 2.1/2144=1 QD2 LEU 95 - HB VAL 80 lone 3 34 - 9 - ~2412=1, 6861/3.7=1 QD2 LEU 95 - HB2 ARG 141 lone 2 57 - 4 - QG2 VAL 73 - HB VAL 80 lone 2 52 - 4 - Peak 8430 from aliabs.peaks (0.79, 1.67, 30.27 ppm; 3.40 A): 3 out of 5 assignments used, quality = 0.95: QD2 LEU 72 + HB2 MET 68 OK 81 100 - 81 - ~9912=12, ~9945=9...(38) QD2 LEU 95 + HB2 MET 68 OK 57 96 - 60 - 10095/2.9=17, 8428/2.9=9...(19) QD1 LEU 79 + HB2 MET 68 OK 34 92 - 37 - 10095/2.9=8, 9930/4.4=7...(8) QD1 ILE 136 - HB2 MET 68 OK 33 62 - 54 - 2.5/1965=5, 8429/1.8=5...(29) QG2 THR 74 - HB2 MET 68 OK 16 89 - 18 - 8443/3.6=3, 8428/2.9=3...(7) Peak 8433 from aliabs.peaks (0.22, 2.43, 31.81 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8434 from aliabs.peaks (0.60, 2.54, 31.81 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.95: QG1 VAL 71 + HG3 MET 68 OK 95 99 - 96 - 2.1/8435=31, 8425/3.3=25...(31) QD1 LEU 132 - HG3 MET 68 OK 36 99 - 36 - 8425/3.3=5, 10300/2.9=5...(10) QD1 LEU 66 - HG3 MET 68 OK 29 99 - 30 - 8425/3.3=8, 8434=7...(8) Peak 8435 from aliabs.peaks (0.23, 2.54, 31.81 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.66: QG2 VAL 71 + HG3 MET 68 OK 66 68 - 98 - 8439/3.7=41, 8426/3.3=40...(28) Peak 8436 from aliabs.peaks (0.88, 3.86, 55.29 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.63: QG2 ILE 136 + HA MET 68 OK 44 89 - 49 - 3.0/8437=8, 2.3/1958=5...(22) QG2 ILE 101 + HA MET 68 OK 22 94 - 23 - 9169=6, 2.1/9168=4...(6) QD1 ILE 101 + HA MET 68 OK 17 89 - 19 - 3.1/9169=4, 3.2/9168=3 QG2 ILE 56 - HA MET 68 lone 8 98 - 8 - 3.1/8438=1 QD1 LEU 97 - HA MET 68 lone 7 85 - 8 - 9130/10084=2 Peak 8437 from aliabs.peaks (0.78, 3.86, 55.29 ppm; 3.71 A): 3 out of 5 assignments used, quality = 0.95: QD1 LEU 72 + HA MET 68 OK 72 92 - 79 - 9912/3.7=19, 2.1/2142=11...(29) QD1 ILE 136 + HA MET 68 OK 66 100 - 67 - 3.0/8436=12, 9666=9...(27) QD2 LEU 72 + HA MET 68 OK 50 72 - 68 - 2.1/2150=10, 5.0/9918=8...(27) QG2 VAL 73 - HA MET 68 OK 33 98 - 34 - 3.9/6758=4, 8573/4.9=4...(12) QD1 LEU 108 - HA MET 68 OK 18 72 - 24 - 9945/3.7=4, 2150=3...(8) Peak 8438 from aliabs.peaks (0.59, 3.86, 55.29 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.86: QG1 VAL 71 + HA MET 68 OK 86 92 - 93 - 2.1/8439=38, 4.0/1957=21...(27) Peak 8439 from aliabs.peaks (0.23, 3.86, 55.29 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.57: QG2 VAL 71 + HA MET 68 OK 57 62 - 91 - 8439=34, 2.1/8438=31...(24) Peak 8444 from aliabs.peaks (2.99, 3.86, 55.29 ppm; 5.18 A): 3 out of 3 assignments used, quality = 0.90: HA VAL 71 + HA MET 68 OK 83 85 - 97 - 3.2/8439=44, 3.2/8438=42...(26) HA VAL 82 + HA MET 68 OK 25 100 - 25 - 8444=10, 2475/9918=3...(6) HB3 ASN 128 + HA MET 68 OK 20 96 - 20 - 8444=8, 3.9/7596=7, 4341/1957=3 Peak 8445 from aliabs.peaks (3.03, 2.54, 31.81 ppm; 6.08 A): 2 out of 5 assignments used, quality = 0.98: HB2 PHE 67 + HG3 MET 68 OK 86 89 - 96 - 4.4/1983=40, 2.6/8415=30...(19) HB3 ASP 65 + HG3 MET 68 OK 83 96 - 86 - ~11529=39, ~11481=29...(16) HE2 LYS 36 - HG3 MET 68 OK 35 81 - 43 - 3.0/1986=4, 6.4/1984=4...(20) HE3 LYS 36 - HG3 MET 68 OK 33 77 - 43 - 3.0/1986=4, 6.4/1984=4...(20) HB2 HIS 10 - HG3 MET 68 OK 14 92 - 15 - 8450/3.3=3, 11530/2.9=2...(6) Peak 8446 from aliabs.peaks (3.06, 2.43, 31.81 ppm; 4.50 A): 9 out of 21 assignments used, quality = 0.91: HE3 LYS 34 + HB3 PRO 33 OK 51 96 - 53 - 3.7/10607=7, 4.6/459=7...(20) HE2 LYS 34 + HB3 PRO 33 OK 48 90 - 53 - 3.7/10607=7, 4.6/459=7...(20) HE3 LYS 34 + HG2 MET 11 OK 17 60 - 28 - 3.7/10607=4, 572/3.0=3...(14) HB2 TYR 27 + HB3 PRO 33 OK 15 97 - 15 - 11367/3.0=6, ~11368=5...(4) HE2 LYS 34 + HG2 MET 11 OK 15 54 - 28 - 3.7/10607=4, 4.6/27=3...(14) HE3 LYS 86 + HG2 MET 68 OK 14 100 - 14 - ~8450=3, 8450/3.3=3...(4) HE2 LYS 86 + HG2 MET 68 OK 14 100 - 14 - ~8450=3, 8450/3.3=3...(4) HB3 ASP 30 + HG2 MET 68 OK 10 85 - 12 - 3.8/8418=4, 8450/3.3=4...(4) HE2 LYS 34 + HG2 MET 68 OK 10 94 - 11 - 6666/4.4=2, 3.7/10607=2...(4) HE3 LYS 34 - HG2 MET 68 poor 10 100 - 10 - 3.7/10607=2, ~8450=1...(5) HE2 LYS 86 - HB3 PRO 33 poor 10 96 - 10 - 6171/4.3=4 HE3 LYS 86 - HB3 PRO 33 lone 9 97 - 10 - 6171/4.3=4 HB2 TYR 27 - HG2 MET 68 lone 7 100 - 7 - ~8422=2, ~8422=2 HB3 TRP 88 - HG2 MET 68 lone 4 77 - 5 - 6.5/8417=3, 8450/3.3=1 HE2 LYS 86 - HG2 MET 11 lone 3 60 - 5 - HE3 LYS 86 - HG2 MET 11 lone 3 61 - 5 - HB3 ASP 30 - HB3 PRO 33 lone 2 80 - 3 - 3.8/8418=1 HB2 TYR 27 - HG2 MET 11 lone 1 61 - 2 - HB3 TRP 88 - HB3 PRO 33 lone 1 72 - 2 - HB3 TRP 88 - HG2 MET 11 lone 1 40 - 2 - HB3 ASP 30 - HG2 MET 11 lone 1 46 - 1 - Peak 8447 from aliabs.peaks (2.94, 2.43, 31.81 ppm; 5.27 A): 3 out of 33 assignments used, quality = 0.94: HB3 PHE 67 + HG2 MET 68 OK 76 85 - 89 - 2.6/8417=29, 1948/4.4=26...(14) HB3 ASN 130 + HB3 PRO 33 OK 57 92 - 63 - 9542=25, ~9541=15...(8) HB2 TYR 115 + HB3 PRO 33 OK 40 84 - 48 - 10215/3.0=15, ~10809=9...(7) HB2 TYR 115 - HG2 MET 68 OK 24 89 - 27 - ~9873=6, ~8419=6...(7) HB2 TYR 119 - HB3 PRO 33 OK 21 94 - 23 - 10992/3.0=9, 8093/4.3=5...(4) HB3 PHE 67 - HB3 PRO 33 OK 17 80 - 22 - 4.4/1975=8, 2.6/8417=5...(6) HB2 TYR 115 - HG2 MET 11 OK 17 49 - 35 - ~10945=17, ~10590=10...(5) HE3 LYS 48 - HG2 MET 68 OK 16 98 - 16 - 6667/4.4=2, ~8422=2...(6) HE2 LYS 48 - HG2 MET 68 OK 13 89 - 14 - 6667/4.4=2, 3.0/1977=1...(5) HB3 PHE 67 - HG2 MET 11 OK 13 46 - 28 - ~9762=14, 10946/3.3=7...(5) HE3 LYS 93 - HG2 MET 68 OK 11 100 - 10 - HE2 LYS 93 - HG2 MET 68 lone 9 92 - 9 - 6667/4.4=1 HB3 ASN 130 - HG2 MET 11 poor 7 56 - 12 - 9542=5, 1.8/9539=3, 4.7/7653=1 HB3 ASN 130 - HG2 MET 68 lone 7 96 - 7 - 9542=2, 1.8/9539=1 HB2 PHE 106 - HG2 MET 68 lone 6 85 - 6 - 6667/4.4=2, ~8421=2 HE3 LYS 93 - HB3 PRO 33 lone 5 97 - 5 - 11335/10894=2 HE3 LYS 85 - HG2 MET 68 lone 5 100 - 5 - HE2 LYS 85 - HG2 MET 68 lone 4 94 - 4 - 6667/4.4=1 HB2 TYR 119 - HG2 MET 68 lone 4 98 - 4 - HB2 PHE 106 - HB3 PRO 33 lone 3 80 - 4 - ~9230=1 HE3 LYS 48 - HG2 MET 11 lone 3 57 - 6 - 10946/3.3=2, ~10946=2 HE3 LYS 48 - HB3 PRO 33 lone 3 94 - 3 - HE2 LYS 93 - HB3 PRO 33 lone 3 87 - 3 - HE2 LYS 48 - HG2 MET 11 lone 3 49 - 6 - 10946/3.3=2, ~10946=2 HE2 LYS 48 - HB3 PRO 33 lone 3 84 - 3 - HE3 LYS 85 - HB3 PRO 33 lone 2 97 - 2 - HE2 LYS 85 - HB3 PRO 33 lone 2 90 - 2 - HB2 TYR 119 - HG2 MET 11 lone 2 57 - 3 - HE3 LYS 93 - HG2 MET 11 lone 2 61 - 3 - HB2 PHE 106 - HG2 MET 11 lone 2 46 - 4 - ~10591=1, 10946/3.3=1 HE3 LYS 85 - HG2 MET 11 lone 1 61 - 2 - HE2 LYS 93 - HG2 MET 11 lone 1 51 - 3 - HE2 LYS 85 - HG2 MET 11 lone 1 54 - 2 - Peak 8450 from aliabs.peaks (3.07, 1.91, 15.03 ppm; 4.86 A): 5 out of 9 assignments used, quality = 0.61: HB3 ASP 30 + QE MET 68 OK 23 100 - 23 - 3.8/8419=14, 1.8/8422=7 HE2 LYS 86 + QE MET 68 OK 18 92 - 20 - 3.0/2738=3, 3.0/2727=3...(10) HE3 LYS 86 + QE MET 68 OK 18 89 - 20 - 3.0/2738=3, 3.0/2727=3...(10) HA2 GLY 78 + QE MET 68 OK 15 94 - 15 - 10939/8455=5, 1.8/8420=3...(6) HD3 ARG 49 + QE MET 68 OK 12 96 - 13 - 9828/5.9=3, 5.2/8420=2...(4) HB3 TRP 88 - QE MET 68 lone 8 100 - 8 - 6.5/8414=4 HE3 LYS 34 - QE MET 68 lone 6 68 - 10 - 1.8/8450=3, ~8446=1 HB2 TYR 27 - QE MET 68 lone 6 72 - 9 - 1.8/8422=5 HB3 HIS 10 - QE MET 68 lone 6 77 - 8 - 1.8/8450=2 Peak 8451 from aliabs.peaks (3.68, 1.91, 15.03 ppm; 5.59 A): 2 out of 2 assignments used, quality = 0.47: HA ILE 83 + QE MET 68 OK 34 100 - 34 - 9061/8420=6, 3.6/6927=3...(15) HA THR 92 + QE MET 68 OK 20 72 - 27 - 3.2/8423=8, 2.9/9014=3...(7) Peak 8454 from aliabs.peaks (8.57, 1.91, 15.03 ppm; 4.84 A): 0 out of 1 assignment used, low quality = 0.39: H ASP 40 - QE MET 68 OK 39 99 - 39 - 9874/4.6=7, 2097/8426=6...(15) Peak 8455 from aliabs.peaks (8.30, 1.91, 15.03 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8457 from aliabs.peaks (6.93, 1.18, 23.77 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.65: QD TYR 112 + QD1 LEU 69 OK 60 100 - 60 - 8459/2.1=24...(13) QD PHE 23 + QD1 LEU 69 OK 13 68 - 19 - 8459/2.1=8, 11192=2...(6) HD2 HIS 10 - QD1 LEU 69 lone 2 72 - 3 - Peak 8458 from aliabs.peaks (6.53, 1.18, 23.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.50: HZ3 TRP 88 + QD1 LEU 69 OK 50 98 - 51 - 2.4/9888=27, 2.5/11063=8...(9) Peak 8459 from aliabs.peaks (6.94, 1.02, 26.03 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.72: QD TYR 112 + QD2 LEU 69 OK 63 94 - 67 - 8457/2.1=29, 4.5/9919=14...(16) QD PHE 23 + QD2 LEU 69 OK 25 92 - 27 - 8457/2.1=11, 8488/4.8=4...(7) HD2 HIS 10 - QD2 LEU 69 lone 3 94 - 3 - 8457/2.1=1 Peak 8461 from aliabs.peaks (3.19, 1.18, 23.77 ppm; 4.61 A): 4 out of 7 assignments used, quality = 0.80: HA VAL 73 + QD1 LEU 69 OK 64 77 - 83 - 3.0/9922=31, 3.2/8595=16...(25) HA LEU 39 + QD1 LEU 69 OK 29 81 - 35 - 3.0/2038=4, 10754/4.7=4...(18) HD3 ARG 144 + QD1 LEU 69 OK 11 100 - 11 - 6764/9922=1, 4.0/2040=1 HD2 ARG 144 + QD1 LEU 69 OK 11 99 - 11 - 6764/9922=1, 4.0/2040=1 HD3 ARG 55 - QD1 LEU 69 lone 6 92 - 7 - HD2 ARG 55 - QD1 LEU 69 lone 3 72 - 4 - HD2 ARG 141 - QD1 LEU 69 lone 3 68 - 4 - Peak 8462 from aliabs.peaks (3.83, 1.02, 26.03 ppm; 4.18 A): 4 out of 4 assignments used, quality = 0.84: HB2 SER 100 + QD2 LEU 69 OK 46 96 - 48 - 8465/2.1=15, 1.8/2045=6...(16) HA LEU 66 + QD2 LEU 69 OK 46 77 - 59 - 8390=14, 4.0/9889=11...(13) HA THR 110 + QD2 LEU 69 OK 32 89 - 37 - 8465/2.1=9, 4.9/10176=6...(12) HA3 GLY 50 + QD2 LEU 69 OK 17 99 - 17 - 8465/2.1=7, 2010/3.2=2...(6) Peak 8463 from aliabs.peaks (3.23, 1.02, 26.03 ppm; 5.54 A): 6 out of 6 assignments used, quality = 0.86: HG3 MET 46 + QD2 LEU 69 OK 35 72 - 48 - 9929/2.1=12, 3.0/10497=9...(10) HD2 ARG 140 + QD2 LEU 69 OK 30 81 - 37 - 9929/2.1=9, ~9929=7...(10) HD3 ARG 89 + QD2 LEU 69 OK 28 94 - 30 - 9929/2.1=7, ~9893=5...(12) HD3 ARG 140 + QD2 LEU 69 OK 28 81 - 35 - 9929/2.1=8, ~9929=7...(10) HB3 TYR 117 + QD2 LEU 69 OK 28 77 - 37 - 3.9/7455=14, 9407/8459=6...(9) HD3 ARG 124 + QD2 LEU 69 OK 17 98 - 17 - 9929/2.1=5, 8726/8478=4...(5) Peak 8464 from aliabs.peaks (3.37, 1.02, 26.03 ppm; 5.35 A): 0 out of 2 assignments used, low quality = 0.24: HD3 PRO 57 - QD2 LEU 69 OK 13 100 - 13 - 8521/9889=2, 8255/2.1=2...(6) HD2 PRO 57 - QD2 LEU 69 OK 13 92 - 14 - 8521/9889=4, ~8255=2...(6) Peak 8465 from aliabs.peaks (3.82, 1.18, 23.77 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.57: HB2 SER 100 + QD1 LEU 69 OK 36 81 - 44 - 8462/2.1=11, 1.8/2037=7...(16) HA THR 110 + QD1 LEU 69 OK 21 99 - 21 - 8462/2.1=8, ~7307=2...(8) HA3 GLY 50 + QD1 LEU 69 OK 15 100 - 15 - 8462/2.1=4, 2010/3.2=2...(5) HA GLN 47 - QD1 LEU 69 poor 8 62 - 13 - 2.9/9884=6, 10675/3.2=2...(5) Peak 8468 from aliabs.peaks (0.78, 4.01, 58.18 ppm; 3.43 A): 7 out of 10 assignments used, quality = 0.94: QD1 LEU 72 + HA LEU 69 OK 55 94 - 58 - 4.9/2007=8, 3.1/2009=7...(22) QG2 VAL 73 + HA LEU 69 OK 46 99 - 47 - 8595/4.1=8, 8573=7...(15) QD1 ILE 136 + HA LEU 69 OK 40 100 - 40 - 3.0/10963=4, 8437/4.9=4...(15) QD2 LEU 72 + HA LEU 69 OK 35 68 - 51 - 5.0/2007=8, 3.2/2009=7...(20) QD1 LEU 108 + HA LEU 69 OK 25 77 - 32 - 2.1/9257=5, 3.2/11533=5...(12) QD1 ILE 136 + HA GLU 122 OK 11 91 - 12 - 9689/3.0=2, 9686/10419=2 QG2 VAL 73 + HA GLU 122 OK 10 88 - 11 - 8573=2, ~9921=2, 9922/3.0=2 QD1 LEU 72 - HA GLU 122 lone 7 82 - 8 - 4.9/2007=2, 3.1/2008=1 QD1 LEU 108 - HA GLU 122 lone 4 65 - 6 - 2.1/9257=1 QD2 LEU 72 - HA GLU 122 lone 4 56 - 7 - 5.0/2007=2, 3.2/2008=1 Peak 8469 from aliabs.peaks (0.79, 1.38, 41.39 ppm; 5.11 A): 4 out of 6 assignments used, quality = 0.99: QD2 LEU 72 + HB2 LEU 69 OK 91 100 - 92 - 2143/3.2=12, 3.2/2016=12...(39) QD1 LEU 79 + HB2 LEU 69 OK 66 81 - 81 - ~8472=16, 9930/4.0=14...(18) QD2 LEU 95 + HB2 LEU 69 OK 53 89 - 60 - 8466/4.0=11, 8468/3.0=9...(14) QG2 VAL 73 + HB2 LEU 69 OK 48 62 - 78 - 2.1/8590=12, ~10657=10...(21) QD1 ILE 136 - HB2 LEU 69 OK 42 77 - 55 - 8481/4.6=7, 8468/3.0=5...(21) QG2 THR 74 - HB2 LEU 69 OK 22 77 - 28 - 8466/4.0=5, ~9928=5...(7) Peak 8470 from aliabs.peaks (0.80, 1.90, 41.39 ppm; 4.67 A): 4 out of 6 assignments used, quality = 0.99: QD2 LEU 126 + HB3 LEU 69 OK 77 100 - 77 - 2.1/11377=20, ~11376=15...(21) QD1 LEU 79 + HB3 LEU 69 OK 75 96 - 78 - 9930/4.0=17...(16) QD2 LEU 72 + HB3 LEU 69 OK 58 68 - 86 - 2.1/9910=9, 8468/3.0=9...(35) QD2 LEU 95 + HB3 LEU 69 OK 55 92 - 59 - 9930/4.0=12, 8469/1.8=9...(15) QG2 THR 74 - HB3 LEU 69 OK 28 98 - 28 - 8469/1.8=4, 9930/4.0=4...(9) QG1 VAL 80 - HB3 LEU 69 OK 23 100 - 23 - ~10963=5, 8469/1.8=3...(8) Peak 8471 from aliabs.peaks (0.78, 1.86, 26.80 ppm; 4.34 A): 5 out of 5 assignments used, quality = 0.99: QG2 VAL 73 + HG LEU 69 OK 80 99 - 81 - 8595/2.1=17, 8597=16...(27) QD1 LEU 72 + HG LEU 69 OK 72 94 - 76 - 2151/2.1=12, 3.1/2033=9...(26) QD1 LEU 108 + HG LEU 69 OK 53 77 - 69 - ~8477=31, ~8473=15...(15) QD2 LEU 72 + HG LEU 69 OK 52 68 - 76 - 8473/2.1=10, ~2151=9...(24) QD1 ILE 136 + HG LEU 69 OK 45 100 - 45 - 8473/2.1=7, 8477/2.1=6...(14) Peak 8472 from aliabs.peaks (0.63, 1.86, 26.80 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.63: QD2 LEU 79 + HG LEU 69 OK 63 81 - 77 - 10918/3.0=16...(20) Peak 8473 from aliabs.peaks (0.75, 1.18, 23.77 ppm; 2.64 A): 3 out of 3 assignments used, quality = 0.74: QD2 LEU 108 + QD1 LEU 69 OK 47 99 - 48 - 8477/2.1=21, 3.2/9894=7...(11) QD1 LEU 108 + QD1 LEU 69 OK 31 85 - 36 - ~8477=11, 3.2/9894=7...(8) QD1 LEU 72 + QD1 LEU 69 OK 28 62 - 44 - 2.1/2143=7, 2151=6...(18) Peak 8474 from aliabs.peaks (0.61, 1.18, 23.77 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.69: QD1 LEU 66 + QD1 LEU 69 OK 48 92 - 52 - 9889/2.1=13, 2.1/9899=10...(14) QD1 LEU 132 + QD1 LEU 69 OK 40 92 - 44 - 2.1/2038=5, 10174/8473=4...(20) Peak 8477 from aliabs.peaks (0.75, 1.02, 26.03 ppm; 3.12 A): 0 out of 1 assignment used, low quality = 0.42: QD2 LEU 108 - QD2 LEU 69 OK 42 85 - 49 - 8473/2.1=15...(14) Peak 8478 from aliabs.peaks (0.62, 1.02, 26.03 ppm; 3.15 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8479 from aliabs.peaks (1.00, 4.35, 62.26 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.86: QD1 LEU 116 + HA TYR 70 OK 72 89 - 81 - 2.1/9375=17, 9371=16...(16) HG12 ILE 136 + HA TYR 70 OK 49 98 - 50 - 2.1/8480=10, 8494/3.6=9...(13) Peak 8480 from aliabs.peaks (0.78, 4.35, 62.26 ppm; 4.59 A): 4 out of 4 assignments used, quality = 0.95: QG2 VAL 73 + HA TYR 70 OK 64 92 - 70 - 2.1/2060=25, 3.9/6754=21...(12) QD1 ILE 136 + HA TYR 70 OK 63 98 - 64 - 2.1/8479=17, 9670/3.0=9...(18) QD2 LEU 72 + HA TYR 70 OK 40 85 - 47 - 10260/3.6=10, 9955/4.9=9...(14) QD1 LEU 72 + HA TYR 70 OK 39 81 - 48 - 8493/3.6=10, 8481/2.9=8...(14) Peak 8484 from aliabs.peaks (0.99, 3.15, 38.83 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.88: HB2 LEU 39 + HB2 TYR 70 OK 58 77 - 75 - 8485/1.8=14, ~10940=11...(19) QD1 LEU 116 + HB2 TYR 70 OK 51 68 - 76 - 2.1/9376=25, 8479/3.0=22...(14) HG12 ILE 136 + HB2 TYR 70 OK 43 85 - 51 - 8479/3.0=15, 8494/4.4=10...(8) QD1 LEU 29 - HB2 TYR 70 poor 9 68 - 14 - 10529/2.6=4, 8485/1.8=2...(4) Peak 8485 from aliabs.peaks (0.99, 2.73, 38.83 ppm; 6.26 A): 4 out of 4 assignments used, quality = 0.94: HB2 LEU 39 + HB3 TYR 70 OK 65 77 - 84 - 8484/1.8=18, 3.2/8119=17...(18) QD1 LEU 116 + HB3 TYR 70 OK 57 68 - 85 - 8479/3.0=28, ~9376=26...(18) HG12 ILE 136 + HB3 TYR 70 OK 53 85 - 62 - 8479/3.0=19, 8484/1.8=13...(10) QD1 LEU 29 + HB3 TYR 70 OK 15 68 - 22 - 10529/2.6=6...(8) Peak 8491 from aliabs.peaks (6.93, 4.35, 62.26 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.77: QD TYR 112 + HA TYR 70 OK 71 98 - 72 - 2.2/8492=28, 8488/2.9=19...(14) QD PHE 23 + HA TYR 70 OK 22 85 - 26 - 8488/2.9=7, 11387/3.6=6...(7) HD2 HIS 10 - HA TYR 70 lone 4 89 - 4 - 8394/8400=1 Peak 8492 from aliabs.peaks (6.84, 4.35, 62.26 ppm; 4.99 A): 0 out of 2 assignments used, low quality = 0.36: QD PHE 67 - HA TYR 70 OK 21 92 - 23 - 11542/3.0=7, ~1940=5...(5) HZ2 TRP 88 - HA TYR 70 OK 20 92 - 21 - 5.0/2052=4, ~7025=4...(9) Peak 8496 from aliabs.peaks (0.77, 2.98, 66.89 ppm; 3.98 A): 3 out of 4 assignments used, quality = 0.99: QD1 LEU 72 + HA VAL 71 OK 83 98 - 85 - 2149/3.6=18...(27) QD1 ILE 136 + HA VAL 71 OK 78 100 - 78 - 9685/3.2=13, 9899/3.0=8...(41) QG2 VAL 73 + HA VAL 71 OK 60 100 - 60 - 9961/3.6=19, 4.4/2083=17...(14) QD1 LEU 108 - HA VAL 71 OK 24 85 - 28 - 2149/3.6=9, 10171/3.2=6...(6) Peak 8497 from aliabs.peaks (1.26, 2.98, 66.89 ppm; 5.90 A): 5 out of 7 assignments used, quality = 0.88: HB2 LEU 132 + HA VAL 71 OK 70 96 - 73 - 4484/3.2=11, 3.2/2081=9...(23) HG13 ILE 58 + HA VAL 71 OK 30 77 - 39 - ~10580=8, ~9812=7...(12) HG3 LYS 61 + HA VAL 71 OK 20 100 - 20 - ~8331=5, ~8331=3...(5) HG2 LYS 61 + HA VAL 71 OK 19 99 - 19 - ~8331=5, ~8331=3...(6) QG2 THR 99 + HA VAL 71 OK 10 89 - 11 - 10115/8501=2, 10340/8496=1 HB3 LEU 97 - HA VAL 71 lone 5 98 - 5 - 10340/8496=1 QG2 THR 102 - HA VAL 71 lone 3 85 - 3 - Peak 8501 from aliabs.peaks (3.14, 2.98, 66.89 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.53: HB2 TYR 70 + HA VAL 71 OK 33 94 - 35 - 6724/2.9=12, ~8523=10...(5) HA VAL 80 + HA VAL 71 OK 20 89 - 23 - 8505/3.2=4, 6724/2.9=3...(8) HA LEU 79 + HA VAL 71 OK 11 100 - 11 - 4.0/8496=3, 8505/3.2=2...(4) Peak 8502 from aliabs.peaks (3.84, 2.98, 66.89 ppm; 4.90 A): 4 out of 6 assignments used, quality = 0.95: HA LEU 66 + HA VAL 71 OK 63 100 - 63 - 4.0/9898=22, 8506/3.2=13...(12) HB2 SER 127 + HA VAL 71 OK 54 99 - 55 - 4323/2.9=9, 8506/3.2=9...(13) HA ALA 104 + HA VAL 71 OK 47 96 - 49 - 3.6/9229=12, 8506/3.2=10...(13) HA GLN 133 + HA VAL 71 OK 44 100 - 44 - 9620/3.2=10, 8506/3.2=8...(14) HB2 SER 100 - HA VAL 71 OK 11 92 - 11 - 8506/3.2=2, 6719/2.9=1 HD2 PRO 118 - HA VAL 71 poor 9 62 - 15 - ~9894=5, 8506/3.2=2...(4) Peak 8504 from aliabs.peaks (2.75, 0.25, 22.30 ppm; 4.17 A): 4 out of 10 assignments used, quality = 0.58: HB3 ASP 40 + QG2 VAL 71 OK 29 98 - 29 - 3.3/2097=10, 10449/4.3=6...(6) HB2 ASN 54 + QG2 VAL 71 OK 22 99 - 22 - 10449/4.3=15, ~10437=4 HG3 MET 113 + QG2 VAL 71 OK 14 100 - 14 - ~9329=2, ~8513=2...(6) HE2 LYS 76 + QG2 VAL 71 OK 12 92 - 13 - 3.9/8518=7, 7.4/8524=3 HE3 LYS 76 - QG2 VAL 71 poor 9 72 - 13 - 3.9/8518=7, 7.4/8524=3 HB2 ASN 96 - QG2 VAL 71 lone 9 99 - 9 - 1.8/8505=2, 9079/2.1=1 HB3 PHE 43 - QG2 VAL 71 lone 4 100 - 4 - 4.5/8525=2, 9374/10699=1 HB3 ASP 137 - QG2 VAL 71 lone 3 85 - 4 - HE2 LYS 114 - QG2 VAL 71 lone 2 62 - 4 - HB3 ASP 16 - QG2 VAL 71 lone 1 98 - 1 - Peak 8505 from aliabs.peaks (3.13, 0.25, 22.30 ppm; 4.68 A): 4 out of 6 assignments used, quality = 0.63: HA VAL 80 + QG2 VAL 71 OK 37 100 - 37 - 8501/3.2=8, 9945/2.1=7...(11) HD3 ARG 145 + QG2 VAL 71 OK 20 72 - 28 - 3.4/9900=4, 3.4/2094=3...(14) HD2 ARG 145 + QG2 VAL 71 OK 19 68 - 28 - 3.4/9900=4, 3.4/2094=3...(14) HA LEU 79 + QG2 VAL 71 OK 10 85 - 12 - 8501/3.2=5, 4.0/8516=3...(4) HB3 ASN 96 - QG2 VAL 71 lone 6 72 - 8 - 1.8/8504=4, ~9079=1 HB3 PHE 106 - QG2 VAL 71 lone 3 94 - 3 - Peak 8506 from aliabs.peaks (3.84, 0.25, 22.30 ppm; 3.25 A): 4 out of 6 assignments used, quality = 0.78: HA LEU 66 + QG2 VAL 71 OK 41 100 - 41 - 3.6/9904=9, 1876/2.1=7...(13) HA ALA 104 + QG2 VAL 71 OK 29 96 - 30 - 8439=6, 2.8/9905=3...(8) HB2 SER 127 + QG2 VAL 71 OK 29 99 - 29 - 8508/2.1=4, 4323/3.9=3...(11) HA GLN 133 + QG2 VAL 71 OK 25 100 - 25 - 9620/2.1=5, 9613/2.1=3...(6) HD2 PRO 118 - QG2 VAL 71 poor 7 62 - 11 - ~9894=3, 3.0/8520=2, 6663/8523=2 HB2 SER 100 - QG2 VAL 71 lone 5 92 - 6 - Peak 8507 from aliabs.peaks (4.18, 0.25, 22.30 ppm; 4.79 A): 5 out of 5 assignments used, quality = 0.93: HA PHE 38 + QG2 VAL 71 OK 74 94 - 79 - 3.1/8525=38, ~8528=20...(11) HA LEU 64 + QG2 VAL 71 OK 54 100 - 54 - 3.7/8518=12, 8509/2.1=8...(16) HA TRP 88 + QG2 VAL 71 OK 18 81 - 22 - 4.6/8522=5, 7.8/8524=3...(7) HA CYS 121 + QG2 VAL 71 OK 14 100 - 14 - 6718/3.9=3, 8503/3.2=3...(6) HA GLU 120 + QG2 VAL 71 OK 14 77 - 18 - 3.0/8504=4, 3.8/9971=3...(5) Peak 8508 from aliabs.peaks (3.86, 0.59, 20.28 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.98: HA MET 68 + QG1 VAL 71 OK 90 100 - 90 - 8439/2.1=31, 8438=30...(26) HA LEU 72 + QG1 VAL 71 OK 85 99 - 86 - 2.9/2103=26, ~2097=14...(25) HD2 PRO 118 - QG1 VAL 71 OK 21 94 - 23 - 2.3/9894=5, 8506/2.1=2...(6) HA LYS 36 - QG1 VAL 71 OK 18 100 - 18 - 3.0/9894=3, 11207/8528=2...(6) Peak 8510 from aliabs.peaks (3.98, 0.59, 20.28 ppm; 5.00 A): 3 out of 5 assignments used, quality = 0.90: HA GLU 75 + QG1 VAL 71 OK 80 100 - 81 - 3.0/8638=29, 3.9/8512=26...(15) HB3 SER 127 + QG1 VAL 71 OK 39 77 - 51 - ~8506=9, 1.8/8508=6...(17) HA MET 113 + QG1 VAL 71 OK 17 68 - 24 - 3.0/8513=4, 3.0/8512=4...(7) HB2 SER 138 - QG1 VAL 71 lone 7 72 - 10 - 6736/4.2=2 HB3 SER 138 - QG1 VAL 71 lone 6 68 - 9 - 6736/4.2=1 Peak 8512 from aliabs.peaks (2.30, 0.59, 20.28 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.66: HG3 GLU 75 + QG1 VAL 71 OK 57 85 - 67 - 3.0/8638=19, ~9972=15...(10) HG3 GLU 81 + QG1 VAL 71 OK 12 96 - 12 - 9967/4.2=5, ~8770=2 HG3 GLU 120 + QG1 VAL 71 OK 10 85 - 12 - 9971/2.1=2, ~8504=2...(5) Peak 8513 from aliabs.peaks (2.19, 0.59, 20.28 ppm; 3.99 A): 6 out of 7 assignments used, quality = 0.90: HB3 PRO 57 + QG1 VAL 71 OK 56 100 - 56 - 2.3/10592=9, ~2089=7...(22) HG2 GLU 75 + QG1 VAL 71 OK 53 72 - 73 - 1.8/8512=28, 3.0/8638=20...(10) HG2 PRO 129 + QG1 VAL 71 OK 20 68 - 30 - 3.8/10271=8, ~9527=6...(8) HB2 MET 113 + QG1 VAL 71 OK 18 100 - 18 - 1.8/8512=4, 4.2/9329=3...(5) HB3 LYS 86 + QG1 VAL 71 OK 15 99 - 15 - 1.8/8514=2, 3.5/9895=2...(4) HB2 MET 46 + QG1 VAL 71 OK 10 99 - 10 - ~8504=2, 2221/8638=1 HB2 GLN 25 - QG1 VAL 71 lone 5 72 - 7 - 4.4/9907=2, 1.8/9894=2 Peak 8514 from aliabs.peaks (1.91, 0.59, 20.28 ppm; 3.61 A): 2 out of 10 assignments used, quality = 0.93: QE MET 68 + QG1 VAL 71 OK 91 100 - 91 - 8426/2.1=37, 8425=36...(25) HB3 LEU 69 + QG1 VAL 71 OK 24 92 - 26 - 4.6/9907=6, 4.0/8467=6...(7) HB2 MET 59 - QG1 VAL 71 OK 18 100 - 18 - 4.8/8320=4, 1.8/9901=3...(6) HB2 LYS 86 - QG1 VAL 71 OK 11 89 - 12 - 1.8/8513=3, 8520/2.1=2 HB2 ARG 140 - QG1 VAL 71 poor 9 68 - 14 - 8520/2.1=2, ~8520=2, 4.0/9906=1 HB3 ARG 89 - QG1 VAL 71 poor 9 72 - 12 - 8520/2.1=1, 2.8/2100=1, ~8520=1 HB ILE 101 - QG1 VAL 71 lone 8 89 - 8 - 8520/2.1=1 HB3 LYS 24 - QG1 VAL 71 lone 6 62 - 10 - 8495/4.0=2, ~8520=2...(4) HG3 PRO 12 - QG1 VAL 71 lone 4 85 - 5 - HB3 GLN 111 - QG1 VAL 71 lone 3 62 - 4 - Peak 8515 from aliabs.peaks (0.78, 0.59, 20.28 ppm; 3.19 A): 4 out of 5 assignments used, quality = 0.97: QD1 ILE 136 + QG1 VAL 71 OK 69 100 - 69 - 9685=17, 3.0/9683=6...(29) QD1 LEU 72 + QG1 VAL 71 OK 67 89 - 75 - 4.9/2103=11, 2.1/9901=9...(25) QD2 LEU 72 + QG1 VAL 71 OK 57 77 - 74 - 2.1/10171=12...(23) QG2 VAL 73 + QG1 VAL 71 OK 44 96 - 45 - 9961/4.2=9, 3.9/9940=8...(10) QD1 LEU 108 - QG1 VAL 71 OK 16 68 - 23 - 8515=4, 2149/4.2=4...(9) Peak 8516 from aliabs.peaks (0.79, 0.25, 22.30 ppm; 3.44 A): 3 out of 6 assignments used, quality = 0.94: QD2 LEU 72 + QG2 VAL 71 OK 80 100 - 80 - 5.0/2097=13, ~10171=10...(27) QD1 ILE 136 + QG2 VAL 71 OK 52 77 - 67 - 9685/2.1=9, 2.1/8517=8...(31) QG2 THR 74 + QG2 VAL 71 OK 34 77 - 44 - 8496/3.2=8, 4.0/8602=7...(13) QG2 VAL 73 - QG2 VAL 71 OK 26 62 - 42 - 4.4/8602=6, 3.9/9905=6...(13) QD1 LEU 79 - QG2 VAL 71 OK 20 81 - 25 - 8496/3.2=4, ~10593=4...(9) QD2 LEU 95 - QG2 VAL 71 OK 20 89 - 22 - 8496/3.2=3, 8443/8523=2...(8) Peak 8517 from aliabs.peaks (0.99, 0.25, 22.30 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.94: HG12 ILE 136 + QG2 VAL 71 OK 78 85 - 91 - 9896/2.1=15, ~9685=14...(36) QD1 LEU 116 + QG2 VAL 71 OK 52 68 - 78 - 2.1/11092=45...(17) HB2 LEU 39 + QG2 VAL 71 OK 43 77 - 56 - 9896/2.1=11, 4.3/2097=11...(13) QD1 LEU 29 - QG2 VAL 71 OK 27 68 - 40 - 8071/4.3=12, 9896/2.1=7...(12) Peak 8518 from aliabs.peaks (1.16, 0.25, 22.30 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.75: HG LEU 64 + QG2 VAL 71 OK 45 92 - 50 - ~10593=20, 3.7/8507=9...(12) HG2 LYS 76 + QG2 VAL 71 OK 35 92 - 39 - 5.1/8524=10, 8634/9972=6...(10) QG2 THR 92 + QG2 VAL 71 OK 29 100 - 29 - 8634/9972=3...(13) Peak 8520 from aliabs.peaks (1.92, 0.25, 22.30 ppm; 3.61 A): 2 out of 10 assignments used, quality = 0.93: QE MET 68 + QG2 VAL 71 OK 91 99 - 92 - 8426=47, 8425/2.1=30...(25) HB3 LEU 69 + QG2 VAL 71 OK 21 68 - 31 - 4.6/8522=15, 8514/2.1=4...(8) HB2 ARG 140 - QG2 VAL 71 OK 13 92 - 14 - 1.8/8520=3, 8514/2.1=2 HB2 PRO 118 - QG2 VAL 71 OK 13 81 - 16 - ~9894=3, 8514/2.1=2...(4) HG13 ILE 83 - QG2 VAL 71 OK 12 85 - 15 - ~10004=2, 8514/2.1=2...(4) HB2 MET 59 - QG2 VAL 71 OK 11 94 - 12 - 8514/2.1=3, 1.8/9900=2...(4) HB2 LYS 86 - QG2 VAL 71 lone 10 100 - 10 - 8514/2.1=2, ~8513=2 HB2 ARG 89 - QG2 VAL 71 poor 9 68 - 13 - 1.8/8520=3, 2.8/2094=1, ~8514=1 HB ILE 101 - QG2 VAL 71 lone 5 62 - 8 - 8514/2.1=1 HG3 PRO 12 - QG2 VAL 71 lone 3 99 - 3 - Peak 8521 from aliabs.peaks (3.35, 0.60, 21.23 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.69: HB3 PHE 38 + QD1 LEU 66 OK 69 100 - 69 - 2.6/9904=27, 8402/2.1=19...(8) Peak 8522 from aliabs.peaks (7.50, 0.25, 22.30 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.91: H TYR 70 + QG2 VAL 71 OK 91 100 - 91 - 8483=50, 4.1/6730=33...(21) Peak 8523 from aliabs.peaks (7.07, 0.25, 22.30 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.46: QD TYR 70 + QG2 VAL 71 OK 46 94 - 49 - 5.0/6730=16, 4.4/8522=15...(9) Peak 8524 from aliabs.peaks (6.83, 0.25, 22.30 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.67: QD PHE 67 + QG2 VAL 71 OK 41 85 - 48 - ~8527=14, 4.8/8523=13...(7) H LYS 76 + QG2 VAL 71 OK 35 89 - 39 - 8529/2.1=8, 8526/3.9=7...(13) HZ2 TRP 88 + QG2 VAL 71 OK 15 85 - 17 - 10222/11092=3...(6) Peak 8525 from aliabs.peaks (6.97, 0.25, 22.30 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.53: QD PHE 38 + QG2 VAL 71 OK 53 100 - 53 - 8528/2.1=21...(10) QE PHE 43 - QG2 VAL 71 lone 4 81 - 4 - Peak 8527 from aliabs.peaks (7.06, 0.59, 20.28 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.56: QE PHE 67 + QG1 VAL 71 OK 56 96 - 58 - ~8524=27, ~8524=18...(12) Peak 8528 from aliabs.peaks (6.96, 0.59, 20.28 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.63: QD PHE 38 + QG1 VAL 71 OK 63 77 - 81 - ~11641=31, 8525/2.1=27...(12) Peak 8529 from aliabs.peaks (6.78, 0.59, 20.28 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.16: QE TYR 112 - QG1 VAL 71 OK 16 62 - 26 - 9397/9393=5, 8489/9907=5...(9) Peak 8534 from aliabs.peaks (0.33, 1.81, 42.88 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 91 + HB3 LEU 72 OK 80 81 - 98 - 8542/3.2=35, 8541/3.1=35...(29) HG2 LYS 123 + HB3 LEU 72 OK 51 92 - 55 - 8537/1.8=22, 8577/4.4=11...(11) Peak 8535 from aliabs.peaks (0.93, 1.81, 42.88 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 108 + HB3 LEU 72 OK 97 100 - 97 - 8536/1.8=20, 8531/3.4=13...(47) QD2 LEU 29 + HB3 LEU 72 OK 75 100 - 75 - ~8071=29, ~8539=25...(10) QG1 VAL 63 + HB3 LEU 72 OK 57 96 - 59 - ~8356=13, ~8539=11...(12) HB2 LEU 64 - HB3 LEU 72 OK 41 94 - 43 - ~9838=8, ~9878=7...(15) QG1 VAL 53 - HB3 LEU 72 poor 8 81 - 10 - ~2113=2, 8536/1.8=1 Peak 8536 from aliabs.peaks (0.93, 1.18, 42.88 ppm; 4.64 A): 3 out of 5 assignments used, quality = 0.97: HB2 LEU 108 + HB2 LEU 72 OK 88 100 - 88 - 8536=11, 8535/1.8=10...(48) QD2 LEU 29 + HB2 LEU 72 OK 55 100 - 55 - ~8071=15, ~8539=13...(9) QG1 VAL 63 + HB2 LEU 72 OK 45 96 - 47 - 9871=10, 2.1/8356=9...(12) HB2 LEU 64 - HB2 LEU 72 OK 29 94 - 31 - 8536=4, ~9838=4...(14) QG1 VAL 53 - HB2 LEU 72 lone 7 81 - 8 - Peak 8537 from aliabs.peaks (0.34, 1.18, 42.88 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.98: QD1 ILE 91 + HB2 LEU 72 OK 95 96 - 98 - 8542/3.2=37, 8541/3.1=37...(40) HG2 LYS 123 + HB2 LEU 72 OK 65 100 - 65 - 8537=23, 8534/1.8=15...(16) QD2 LEU 42 - HB2 LEU 72 OK 19 72 - 26 - 8538/3.0=5, 8586/8589=4...(10) Peak 8538 from aliabs.peaks (0.34, 3.87, 57.42 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.97: QD1 ILE 91 + HA LEU 72 OK 95 100 - 95 - 8538=30, 8541/3.8=29...(23) HG2 LYS 123 + HA LEU 72 OK 43 99 - 43 - 8537/3.0=15, 8534/3.0=9...(11) QD2 LEU 42 - HA LEU 72 OK 23 96 - 24 - 8538=8, 8537/3.0=3...(9) Peak 8539 from aliabs.peaks (0.95, 3.87, 57.42 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.96: QG2 ILE 91 + HA LEU 72 OK 94 100 - 94 - 10079/3.6=29...(27) QG2 VAL 63 + HA LEU 72 OK 42 96 - 44 - ~9871=6, ~8356=6...(12) HG3 ARG 35 - HA LEU 72 poor 8 62 - 13 - 8539=6, 8580/3.6=5 QG1 VAL 53 - HA LEU 72 lone 7 77 - 9 - 2989/8538=2, 2.1/2113=2 Peak 8541 from aliabs.peaks (0.34, 0.77, 26.47 ppm; 3.59 A): 3 out of 6 assignments used, quality = 0.96: QD1 ILE 91 + QD1 LEU 72 OK 86 96 - 89 - 8542/2.1=30, 8538/3.8=13...(33) QD1 ILE 91 + QD1 LEU 108 OK 59 84 - 70 - 8977/2.1=9, 3.3/3511=8...(31) HG2 LYS 123 + QD1 LEU 72 OK 35 100 - 36 - 8537/3.1=10, 8534/3.1=7...(8) HG2 LYS 123 - QD1 LEU 108 OK 14 89 - 15 - ~8654=1, 8650/8648=1 QD2 LEU 42 - QD1 LEU 72 poor 10 72 - 13 - 8586/2177=2, 8538/3.8=2...(4) QD2 LEU 42 - QD1 LEU 108 lone 5 60 - 8 - 8813/8798=2, 8586/2177=1 Peak 8543 from aliabs.peaks (2.76, 0.79, 22.25 ppm; 3.57 A): 6 out of 27 assignments used, quality = 0.65: HB3 ASP 40 + QD2 LEU 72 OK 24 94 - 25 - 3.3/2141=7, ~2149=4...(8) HE3 LYS 76 + QD2 LEU 72 OK 16 100 - 16 - 3.9/2143=3, 11059/8542=2...(6) HE2 LYS 76 + QD2 LEU 72 OK 16 99 - 16 - 3.9/2143=3, 8983/8542=2...(5) HG3 MET 113 + QD2 LEU 72 OK 15 77 - 20 - 3.3/9331=5, ~9331=2...(8) HG3 MET 113 + QD1 LEU 79 OK 15 22 - 68 - 9327/2.1=21, ~9326=17...(13) HB3 ASP 137 + QD2 LEU 72 OK 10 100 - 10 - 3.8/7765=3, 3.0/10343=2 HE2 LYS 114 - QD2 LEU 72 lone 8 100 - 8 - 8983/8542=2 HE3 LYS 76 - QD1 LEU 79 poor 6 35 - 16 - 8725/2.1=4, ~8725=3...(4) HE2 LYS 76 - QD1 LEU 79 poor 5 34 - 16 - 8725/2.1=4, ~8725=3...(4) HB2 PHE 38 - QD2 LEU 72 lone 5 96 - 6 - 8504/8516=1 HG3 MET 113 - QG2 THR 74 lone 3 43 - 8 - 5.2/9316=2, 3.7/9318=2...(4) HB2 PHE 38 - QG2 THR 74 lone 3 59 - 5 - HE2 LYS 114 - QD1 LEU 79 lone 3 34 - 8 - 8725/2.1=3 HB3 PHE 43 - QD2 LEU 72 lone 3 62 - 4 - 4.5/8546=1 HE3 LYS 76 - QG2 THR 74 lone 2 65 - 3 - HE2 LYS 114 - QG2 THR 74 lone 2 63 - 3 - HB3 ASP 137 - QG2 THR 74 lone 2 64 - 3 - HE2 LYS 76 - QG2 THR 74 lone 2 62 - 3 - HB3 PHE 43 - QD1 LEU 79 poor 2 17 - 11 - ~10829=5, 3.0/8618=3, 8725/2.1=2 HB2 PHE 38 - QD1 LEU 79 lone 2 32 - 5 - 8108/8943=2 HB3 ASP 40 - QG2 THR 74 lone 1 57 - 2 - HB3 PHE 43 - QG2 THR 74 lone 1 33 - 3 - 3.0/8618=1 HB3 ASP 137 - QD1 LEU 79 lone 1 35 - 3 - HB2 ASP 41 - QD2 LEU 72 lone 1 77 - 1 - HB3 ASP 40 - QD1 LEU 79 lone 1 30 - 3 - 8725/2.1=1 HB2 ASP 41 - QG2 THR 74 lone 0 43 - 1 - HB2 ASP 41 - QD1 LEU 79 lone 0 22 - 1 - Peak 8544 from aliabs.peaks (2.75, 0.77, 26.47 ppm; 5.18 A): 6 out of 20 assignments used, quality = 0.93: HB3 ASP 40 + QD1 LEU 72 OK 51 99 - 52 - 3.3/2149=13, ~2141=8...(11) HG3 MET 113 + QD1 LEU 72 OK 38 100 - 38 - 3.3/9331=7, 1.8/10192=5...(11) HE2 LYS 76 + QD1 LEU 108 OK 36 81 - 44 - 11719/2.1=19, ~11719=16...(7) HE2 LYS 76 + QD1 LEU 72 OK 33 94 - 35 - 8983/8541=5, 3.9/2151=5...(11) HE3 LYS 76 + QD1 LEU 108 OK 28 64 - 43 - 11719/2.1=18, ~11719=17...(7) HE3 LYS 76 + QD1 LEU 72 OK 26 77 - 34 - 3.9/2151=5, ~8543=4...(12) HB2 ASN 54 - QD1 LEU 72 OK 25 98 - 26 - 10449/4.9=19...(4) HG3 MET 113 - QD1 LEU 108 OK 24 90 - 27 - 3.3/9331=6, 10191/2.1=5...(7) HB3 PHE 43 - QD1 LEU 108 OK 18 87 - 20 - ~10225=5, ~10549=4...(5) HB3 ASP 137 - QD1 LEU 72 OK 17 89 - 20 - 3.8/7765=6, ~10343=4...(4) HB2 ASN 96 - QD1 LEU 108 OK 15 86 - 18 - 10123/9259=5, 1.8/9260=4...(5) HB3 PHE 43 - QD1 LEU 72 OK 11 99 - 11 - 4.5/8545=3, 3.0/10168=2 HB2 ASN 96 - QD1 LEU 72 OK 11 98 - 11 - 10123/9020=2...(3) HE2 LYS 114 - QD1 LEU 72 poor 9 68 - 14 - 8983/8541=4, 3.0/10173=2 HE2 LYS 114 - QD1 LEU 108 poor 7 55 - 13 - 11719/2.1=5, 3.0/10173=4 HB3 ASP 40 - QD1 LEU 108 lone 7 87 - 8 - 11185/9914=3, 884/2149=1 HB3 ASP 137 - QD1 LEU 108 lone 5 75 - 6 - 3.8/7765=2 HB2 ASN 54 - QD1 LEU 108 lone 4 86 - 5 - 10449/2149=2 HB3 ASP 16 - QD1 LEU 72 lone 2 96 - 3 - HB3 ASP 16 - QD1 LEU 108 lone 1 84 - 1 - Peak 8551 from aliabs.peaks (6.93, 0.12, 19.46 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.70: QD TYR 112 + QG1 VAL 73 OK 70 100 - 70 - 8553/2.1=38, 2.7/8569=14...(12) HD2 HIS 10 - QG1 VAL 73 lone 2 62 - 3 - Peak 8552 from aliabs.peaks (6.82, 0.12, 19.46 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.89: H LYS 76 + QG1 VAL 73 OK 89 100 - 89 - 8552=28, 6807/2.1=18...(21) Peak 8553 from aliabs.peaks (6.93, 0.77, 23.82 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.68: QD TYR 112 + QG2 VAL 73 OK 68 100 - 69 - 8551/2.1=31, 8553=20...(17) HD2 HIS 10 - QG2 VAL 73 lone 1 62 - 2 - Peak 8554 from aliabs.peaks (6.83, 0.77, 23.82 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.88: H LYS 76 + QG2 VAL 73 OK 74 89 - 83 - 8554=28, 8552/2.1=23...(21) HZ2 TRP 88 + QG2 VAL 73 OK 53 85 - 62 - 2.5/8556=33, 4.3/8555=23...(9) QD PHE 67 - QG2 VAL 73 poor 9 85 - 11 - 4637/8556=3, 8547/3.9=2 Peak 8555 from aliabs.peaks (6.54, 0.77, 23.82 ppm; 4.03 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8556 from aliabs.peaks (6.45, 0.77, 23.82 ppm; 4.33 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8558 from aliabs.peaks (8.34, 3.41, 66.33 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.96: H GLY 78 + HA THR 74 OK 96 100 - 96 - 8692=44, 3.0/8607=32...(17) Peak 8561 from aliabs.peaks (8.35, 0.12, 19.46 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.62: H GLY 78 + QG1 VAL 73 OK 62 72 - 86 - 8561=42, 4.4/8562=27...(11) Peak 8562 from aliabs.peaks (8.81, 0.12, 19.46 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.19: H PHE 45 - QG1 VAL 73 OK 19 62 - 31 - 10508/8586=20, ~9795=6...(4) Peak 8563 from aliabs.peaks (10.67, 0.12, 19.46 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8564 from aliabs.peaks (7.21, 0.77, 23.82 ppm; 4.88 A): 0 out of 2 assignments used, low quality = 0.35: H GLU 37 - QG2 VAL 73 OK 24 100 - 24 - 9998/11036=6...(9) QD PHE 45 - QG2 VAL 73 OK 14 99 - 14 - 9880/8595=3...(5) Peak 8565 from aliabs.peaks (4.75, 0.12, 19.46 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.15: HA TYR 117 - QG1 VAL 73 OK 15 100 - 15 - 4.8/8566=9, ~2168=2...(4) Peak 8566 from aliabs.peaks (4.30, 0.12, 19.46 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.72: HA ARG 89 + QG1 VAL 73 OK 32 100 - 32 - 8566=16, 8574/2.1=12...(4) HA ARG 140 + QG1 VAL 73 OK 28 94 - 30 - 8574/2.1=9, 2.9/2173=6...(9) HA SER 100 + QG1 VAL 73 OK 27 100 - 27 - 8566=16, 8574/2.1=10 HA PRO 118 + QG1 VAL 73 OK 21 98 - 21 - 4.8/8565=11, 8574/2.1=4...(4) Peak 8567 from aliabs.peaks (4.18, 0.12, 19.46 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.95: HA TRP 88 + QG1 VAL 73 OK 71 94 - 75 - 7.2/9919=19...(20) HA LEU 64 + QG1 VAL 73 OK 65 100 - 65 - 9878/2.1=11, 8572/4.0=10...(17) HA CYS 121 + QG1 VAL 73 OK 32 98 - 33 - 10314/4.4=10, 3.6/9921=7...(10) HA PHE 38 + QG1 VAL 73 OK 26 81 - 32 - 8567=4, 4.9/2174=4...(13) Peak 8568 from aliabs.peaks (3.68, 0.12, 19.46 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.93: HA ILE 83 + QG1 VAL 73 OK 87 100 - 87 - 4.9/10009=38...(9) HA THR 92 + QG1 VAL 73 OK 46 77 - 60 - 8819/8585=8...(14) Peak 8569 from aliabs.peaks (3.40, 0.12, 19.46 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.90: HA THR 74 + QG1 VAL 73 OK 71 77 - 92 - 3.0/6778=36, 8604=30...(22) HB3 TYR 112 + QG1 VAL 73 OK 65 81 - 80 - 2.7/8551=34, ~8553=23...(18) Peak 8570 from aliabs.peaks (3.10, 0.12, 19.46 ppm; 3.37 A): 5 out of 6 assignments used, quality = 0.61: HA ALA 105 + QG1 VAL 73 OK 26 100 - 26 - 8570=15, 9219/2.1=3...(4) HD2 ARG 109 + QG1 VAL 73 OK 25 92 - 27 - 8570=14, ~9275=3...(7) HD2 ARG 145 + QG1 VAL 73 OK 11 81 - 14 - 8570=6, 1.8/8570=4 HB3 ASN 96 + QG1 VAL 73 OK 11 77 - 14 - 8570=7, 3.5/8552=4 HD3 ARG 145 + QG1 VAL 73 OK 11 77 - 14 - 8570=6, 1.8/8570=5 HA TYR 119 - QG1 VAL 73 lone 10 100 - 10 - 10704/9598=2, 6844/8562=1 Peak 8571 from aliabs.peaks (4.08, 2.12, 30.80 ppm; 6.80 A): 5 out of 12 assignments used, quality = 0.93: HA VAL 53 + HB VAL 73 OK 78 100 - 78 - ~8240=19, ~8240=17...(16) HA VAL 53 + HB VAL 53 OK 32 32 - 100 - 3.0=100 HD3 PRO 118 + HB VAL 53 OK 22 26 - 86 - ~8245=13, ~8245=10...(28) HA LEU 132 + HB VAL 73 OK 20 99 - 21 - 10292/2.1=6, ~10408=6...(6) HA LEU 132 + HB VAL 53 OK 20 30 - 67 - ~8246=14, ~9548=12...(14) HA GLU 90 - HB VAL 73 OK 18 99 - 18 - 8957/2.1=10, 8957/2171=1 HD3 PRO 118 - HB VAL 73 OK 17 92 - 18 - 4.5/2168=2, 9667/2171=2...(8) HD3 PRO 33 - HB VAL 53 OK 11 18 - 60 - ~1383=7, ~1398=6...(23) HA LYS 34 - HB VAL 53 OK 11 27 - 40 - 10581=6, 1392/2.1=5...(12) HA GLU 90 - HB VAL 53 OK 11 30 - 36 - ~9845=6, 6498/3.9=5...(10) HA LYS 34 - HB VAL 73 lone 5 94 - 5 - 10694/10689=1 HD3 PRO 33 - HB VAL 73 lone 3 72 - 5 - 10694/10689=1 Peak 8573 from aliabs.peaks (3.99, 0.77, 23.82 ppm; 4.04 A): 7 out of 7 assignments used, quality = 0.90: HA GLU 75 + QG2 VAL 73 OK 61 81 - 74 - 3.6/8554=16, 3.0/2181=13...(17) HA MET 113 + QG2 VAL 73 OK 32 96 - 34 - 9309/8553=8, 4.9/9302=5...(8) HA LEU 69 + QG2 VAL 73 OK 29 57 - 51 - 4.1/8595=11, 3.7/8597=9...(14) HA LYS 114 + QG2 VAL 73 OK 18 92 - 19 - 3734/8594=4, 6753/3.9=4...(4) HB2 SER 138 + QG2 VAL 73 OK 14 98 - 14 - ~9715=2, 6753/3.9=2...(5) HB3 SER 138 + QG2 VAL 73 OK 13 96 - 14 - ~9715=2, 6753/3.9=2...(5) HB3 SER 127 + QG2 VAL 73 OK 13 99 - 13 - 6753/3.9=2, 2210/2181=2 Peak 8574 from aliabs.peaks (4.30, 0.77, 23.82 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.76: HA ARG 89 + QG2 VAL 73 OK 41 100 - 41 - 8574=18, 8566/2.1=15...(7) HA ARG 140 + QG2 VAL 73 OK 31 94 - 33 - 8566/2.1=11, 2.9/2179=6...(7) HA SER 100 + QG2 VAL 73 OK 29 100 - 29 - 8574=15, 8566/2.1=14 HA PRO 118 + QG2 VAL 73 OK 16 98 - 16 - 8566/2.1=8, 3943/2.1=2...(4) Peak 8576 from aliabs.peaks (2.75, 0.77, 23.82 ppm; 5.71 A): 6 out of 11 assignments used, quality = 0.93: HE2 LYS 76 + QG2 VAL 73 OK 54 99 - 54 - 3.9/8595=15, 7.4/8554=11...(8) HE3 LYS 76 + QG2 VAL 73 OK 47 89 - 53 - 3.9/8595=15, 7.4/8554=11...(8) HG3 MET 113 + QG2 VAL 73 OK 36 99 - 36 - 3.7/8573=8, 3.3/9331=7...(8) HB2 ASN 96 + QG2 VAL 73 OK 23 92 - 25 - 3.5/8554=9, ~8570=7...(4) HB3 ASP 40 + QG2 VAL 73 OK 22 100 - 22 - 3.3/9925=10...(4) HE2 LYS 114 + QG2 VAL 73 OK 22 81 - 27 - 3.0/8596=8, ~10656=5...(5) HB3 ASP 137 - QG2 VAL 73 OK 17 96 - 18 - 3.8/7765=7, 3.0/10343=4 HB2 ASN 54 - QG2 VAL 73 OK 13 92 - 14 - 10449/9961=9 HB2 PHE 38 - QG2 VAL 73 OK 11 68 - 17 - ~8567=3, ~8567=3...(6) HB3 PHE 43 - QG2 VAL 73 poor 10 94 - 10 - ~9920=3 HB3 ASP 16 - QG2 VAL 73 lone 2 89 - 2 - Peak 8582 from aliabs.peaks (0.33, 3.20, 65.90 ppm; 3.83 A): 0 out of 1 assignment used, low quality = 0.33: HG2 LYS 123 - HA VAL 73 OK 33 68 - 49 - 8586/3.2=12, 8577/3.0=10...(10) Peak 8583 from aliabs.peaks (0.42, 3.20, 65.90 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.52: QD2 LEU 132 + HA VAL 73 OK 52 92 - 56 - 9598/3.2=17, ~9597=11...(16) Peak 8584 from aliabs.peaks (1.18, 3.20, 65.90 ppm; 4.65 A): 3 out of 6 assignments used, quality = 1.00: HB2 LEU 72 + HA VAL 73 OK 94 98 - 96 - 6759/3.0=15, ~9961=14...(46) QD1 LEU 69 + HA VAL 73 OK 87 100 - 87 - 9922/3.0=31, 8461=16...(29) HG2 LYS 76 + HA VAL 73 OK 62 81 - 76 - 5.1/6802=14, 3.0/2164=12...(18) HB3 LEU 108 - HA VAL 73 OK 36 62 - 58 - ~10220=8, ~2156=6...(25) QG2 THR 18 - HA VAL 73 OK 22 94 - 24 - 10865/3.0=12, ~8566=3...(6) HG12 ILE 56 - HA VAL 73 poor 9 85 - 10 - ~10604=5, 8800/8583=2 Peak 8585 from aliabs.peaks (0.43, 0.12, 19.46 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 82 + QG1 VAL 73 OK 85 89 - 96 - 8585=47, 8594/2.1=30...(30) Peak 8586 from aliabs.peaks (0.33, 0.12, 19.46 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.79: QD1 ILE 91 + QG1 VAL 73 OK 59 72 - 82 - 8593/2.1=29, 8978=15...(25) HG2 LYS 123 + QG1 VAL 73 OK 48 85 - 56 - 8582/3.2=26, 8593/2.1=10...(13) Peak 8587 from aliabs.peaks (0.63, 0.12, 19.46 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.56: QD2 LEU 79 + QG1 VAL 73 OK 56 81 - 68 - 3.8/8715=22, 8579/4.0=16...(15) Peak 8588 from aliabs.peaks (0.94, 0.12, 19.46 ppm; 4.75 A): 3 out of 5 assignments used, quality = 0.98: QG2 ILE 91 + QG1 VAL 73 OK 81 85 - 95 - ~8593=23, 10079/4.0=22...(33) QG1 VAL 53 + QG1 VAL 73 OK 69 100 - 69 - ~8571=12, ~8240=11...(21) HB2 LEU 108 + QG1 VAL 73 OK 66 94 - 69 - ~10220=11, 3482/2.1=7...(31) QD2 LEU 29 - QG1 VAL 73 OK 31 77 - 40 - 2.1/8588=12, 4.9/8551=11...(8) QG1 VAL 63 - QG1 VAL 73 OK 29 99 - 29 - 9872/2.1=4, ~9867=3...(12) Peak 8589 from aliabs.peaks (1.17, 0.12, 19.46 ppm; 4.32 A): 3 out of 5 assignments used, quality = 0.99: HG2 LYS 76 + QG1 VAL 73 OK 86 100 - 87 - 5.1/8552=20, 8595/2.1=15...(29) QD1 LEU 69 + QG1 VAL 73 OK 70 81 - 86 - 9922/4.0=16...(31) HB2 LEU 72 + QG1 VAL 73 OK 67 72 - 92 - 4.4/6766=28, ~9961=15...(35) QG2 THR 92 - QG1 VAL 73 OK 38 81 - 46 - 8595/2.1=6, 3.2/8568=4...(17) QG2 THR 18 - QG1 VAL 73 OK 14 62 - 23 - 10865/2.1=7, 3.2/8566=6...(6) Peak 8590 from aliabs.peaks (1.38, 0.12, 19.46 ppm; 3.95 A): 3 out of 7 assignments used, quality = 0.99: HB VAL 82 + QG1 VAL 73 OK 84 85 - 98 - 2.1/8585=45...(20) HB2 LEU 69 + QG1 VAL 73 OK 75 100 - 75 - 8590=11, 3.2/10657=9...(28) HG LEU 132 + QG1 VAL 73 OK 69 99 - 70 - 2.1/9598=21, ~8583=16...(17) HB3 LEU 39 - QG1 VAL 73 OK 30 98 - 31 - 1.8/8588=7, 8590=4...(13) HB2 ARG 109 - QG1 VAL 73 OK 29 92 - 32 - 3.6/8570=9, 4.0/9920=5...(10) HG2 LYS 86 - QG1 VAL 73 lone 9 89 - 10 - 8590=1, 2487/10653=1 HG2 ARG 49 - QG1 VAL 73 poor 7 62 - 11 - 8590=2, 2493/8585=1, 4499/9598=1 Peak 8591 from aliabs.peaks (1.54, 0.12, 19.46 ppm; 4.09 A): 3 out of 8 assignments used, quality = 0.96: HG3 LYS 76 + QG1 VAL 73 OK 78 99 - 79 - 5.1/8552=18, 1.8/8589=11...(27) HD2 LYS 76 + QG1 VAL 73 OK 59 94 - 62 - 6.1/8552=13, 3.0/8589=9...(17) HB3 LEU 79 + QG1 VAL 73 OK 54 77 - 70 - 3.1/8587=32, 3.0/8715=31...(8) QB ALA 135 - QG1 VAL 73 OK 34 100 - 34 - 3.7/2178=6, 10318/9598=5...(9) HB2 LEU 29 - QG1 VAL 73 OK 34 100 - 34 - 4.0/8551=10, 3.1/8588=8...(7) HG2 LYS 93 - QG1 VAL 73 OK 32 100 - 32 - ~8596=7, ~8596=6, 8591=4...(8) HG3 LYS 85 - QG1 VAL 73 OK 15 92 - 16 - 11568/8585=2, 8591=2...(7) HB2 GLU 122 - QG1 VAL 73 OK 14 92 - 15 - 11037/9598=4, 4.0/9921=3 Peak 8592 from aliabs.peaks (1.85, 0.12, 19.46 ppm; 4.99 A): 3 out of 6 assignments used, quality = 0.99: HB3 LYS 76 + QG1 VAL 73 OK 84 92 - 91 - 4.0/8552=34, 4.6/8675=23...(27) HG LEU 69 + QG1 VAL 73 OK 80 89 - 90 - 2.1/10657=17, ~8595=14...(31) HB3 LEU 126 + QG1 VAL 73 OK 55 85 - 64 - 3.1/10338=37, ~11079=10...(14) HB2 LYS 93 - QG1 VAL 73 OK 32 92 - 34 - ~8596=8, ~8596=6...(12) HB3 GLU 28 - QG1 VAL 73 OK 23 94 - 24 - 4.3/8551=14, 8592=2, 8597/2.1=2 HB3 LYS 85 - QG1 VAL 73 OK 16 62 - 26 - 11054/8585=4...(11) Peak 8593 from aliabs.peaks (0.34, 0.77, 23.82 ppm; 3.08 A): 3 out of 3 assignments used, quality = 0.92: QD1 ILE 91 + QG2 VAL 73 OK 82 96 - 85 - 8593=41, 8978/2.1=22...(25) HG2 LYS 123 + QG2 VAL 73 OK 38 100 - 38 - 8582/3.2=11, 8586/2.1=9...(10) QD2 LEU 42 + QG2 VAL 73 OK 26 72 - 36 - 8586/2.1=18, 8813/8594=9...(5) Peak 8594 from aliabs.peaks (0.43, 0.77, 23.82 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.86: QG2 VAL 82 + QG2 VAL 73 OK 86 89 - 97 - 8585/2.1=36...(26) Peak 8595 from aliabs.peaks (1.17, 0.77, 23.82 ppm; 2.86 A): 4 out of 5 assignments used, quality = 0.90: HG2 LYS 76 + QG2 VAL 73 OK 56 100 - 56 - 8595=13, 11055/8594=6...(23) QD1 LEU 69 + QG2 VAL 73 OK 48 81 - 59 - 8595=11, 2.1/8477=6...(21) HB2 LEU 72 + QG2 VAL 73 OK 44 72 - 60 - 4.4/2179=11, 3.4/9925=9...(22) QG2 THR 92 + QG2 VAL 73 OK 23 81 - 29 - 9028=6, 8979/8593=2...(11) QG2 THR 18 - QG2 VAL 73 lone 6 62 - 9 - 10865/2.1=2, 3.2/8574=2, ~8566=1 Peak 8596 from aliabs.peaks (1.41, 0.77, 23.82 ppm; 3.71 A): 4 out of 5 assignments used, quality = 0.59: HG LEU 116 + QG2 VAL 73 OK 26 98 - 27 - 8596=11, 2.1/10227=7...(6) HG3 LYS 93 + QG2 VAL 73 OK 23 96 - 24 - 8596=10, 5.1/9922=3...(7) HB2 ARG 35 + QG2 VAL 73 OK 15 100 - 15 - 8596=6, 10801/9922=2...(5) HG2 LYS 36 + QG2 VAL 73 OK 14 96 - 14 - 8596=6, 3.0/8597=2, 693/8564=2 HG2 ARG 49 - QG2 VAL 73 lone 7 77 - 9 - 3.9/9924=4 Peak 8597 from aliabs.peaks (1.86, 0.77, 23.82 ppm; 3.66 A): 3 out of 9 assignments used, quality = 0.95: HG LEU 69 + QG2 VAL 73 OK 70 100 - 70 - 2.1/8595=15, 8597=15...(25) HB3 LYS 76 + QG2 VAL 73 OK 67 100 - 67 - 8597=14, 4.0/8554=11...(22) HB3 LEU 126 + QG2 VAL 73 OK 45 100 - 45 - ~10249=14, ~10338=12...(12) HB2 ARG 144 - QG2 VAL 73 OK 19 85 - 22 - 8597=4, 4.0/2180=2...(7) HB3 LYS 85 - QG2 VAL 73 OK 16 99 - 16 - 8597=3, 11054/8594=2...(5) HB2 LYS 36 - QG2 VAL 73 OK 14 72 - 20 - 4.5/8564=8, 3.0/8596=5...(4) HB3 GLU 28 - QG2 VAL 73 OK 12 99 - 12 - 4.3/8553=5, 8597=3 HB2 LYS 48 - QG2 VAL 73 lone 8 94 - 9 - 8597=2, 8801/8594=1 HB3 LYS 48 - QG2 VAL 73 lone 6 72 - 8 - 8801/8594=1, 1.8/8597=1, 8597=1 Peak 8600 from aliabs.peaks (3.43, 0.77, 23.82 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.00: HD2 PRO 98 - QG2 VAL 73 lone 5 98 - 5 - 9031/9028=2, 4653/8553=1 Peak 8603 from aliabs.peaks (0.64, 3.41, 66.33 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 126 + HA THR 74 OK 93 98 - 96 - 9493=40, 9496/3.0=31...(33) QD2 LEU 79 + HA THR 74 OK 74 96 - 77 - 8727=13, 8605/3.0=12...(34) QD1 ILE 56 - HA THR 74 OK 37 96 - 38 - 8623/3.6=18, 8601/3.0=10...(5) QD2 LEU 64 - HA THR 74 OK 19 81 - 23 - 4.0/8608=5, 8369/3.0=4...(7) Peak 8604 from aliabs.peaks (0.11, 3.41, 66.33 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.75: QG1 VAL 73 + HA THR 74 OK 75 77 - 97 - 6778/3.0=38, ~2184=36...(25) Peak 8605 from aliabs.peaks (0.64, 3.71, 68.35 ppm; 4.08 A): 4 out of 4 assignments used, quality = 0.93: QD1 LEU 126 + HB THR 74 OK 78 92 - 85 - 9492=32, 9493/3.0=28...(24) QD2 LEU 79 + HB THR 74 OK 56 100 - 56 - 2.1/2194=9, 8727/3.0=9...(24) QD1 ILE 56 + HB THR 74 OK 18 89 - 21 - 8623/4.7=9, 8601/4.0=5 QD2 LEU 64 + HB THR 74 OK 15 68 - 22 - 4.0/8619=4, 8369=3...(8) Peak 8607 from aliabs.peaks (3.08, 3.41, 66.33 ppm; 5.04 A): 3 out of 5 assignments used, quality = 0.85: HA2 GLY 78 + HA THR 74 OK 79 96 - 82 - 3.0/8558=43...(14) HB3 TRP 88 + HA THR 74 OK 20 77 - 26 - 3.0/8608=7, ~8610=5...(8) HD3 ARG 49 + HA THR 74 OK 13 94 - 13 - 6839/8558=5...(4) HB3 ASP 30 - HA THR 74 lone 7 68 - 10 - ~6772=2, 11474/3.6=2...(5) HB3 HIS 10 - HA THR 74 lone 5 100 - 4 - Peak 8609 from aliabs.peaks (4.30, 3.41, 66.33 ppm; 5.85 A): 0 out of 4 assignments used, low quality = 0.27: HA ARG 140 - HA THR 74 OK 19 100 - 19 - 8566/8604=5, ~6775=4...(5) HA ARG 89 - HA THR 74 OK 10 98 - 10 - 8566/8604=6, 8947/9031=1 HA SER 100 - HA THR 74 lone 9 98 - 10 - 8566/8604=6, ~10352=2 HA PRO 118 - HA THR 74 lone 8 100 - 8 - 8566/8604=4 Peak 8611 from aliabs.peaks (2.74, 0.80, 22.30 ppm; 3.78 A): 6 out of 36 assignments used, quality = 0.77: HG3 MET 113 + QD1 LEU 79 OK 48 62 - 77 - 9327/2.1=35, ~9326=19...(15) HB2 ASN 96 + QD1 LEU 79 OK 23 66 - 36 - 3.0/9083=8, 3.9/7128=7...(11) HB2 ASN 96 + QG2 THR 74 OK 14 100 - 13 - 3.0/9083=3, 3.9/7128=2...(5) HB3 ASP 40 + QD2 LEU 72 OK 14 49 - 28 - 3.3/2141=5, ~2149=4...(8) HG3 MET 113 + QD2 LEU 72 OK 12 61 - 20 - 3.3/9331=5, ~9331=2...(8) HG3 MET 113 + QG2 THR 74 OK 11 98 - 12 - 5.2/9316=3, 10255=2...(4) HB3 PHE 43 - QD1 LEU 79 poor 10 66 - 15 - 3.0/8618=5, ~10829=5...(4) HE2 LYS 76 - QD2 LEU 126 poor 9 35 - 27 - ~2308=3, ~2297=3...(15) HB2 ASN 54 - QD2 LEU 72 poor 9 65 - 13 - 10449/5.0=10, 8544/2.1=1 HE2 LYS 76 - QD1 LEU 79 poor 7 41 - 17 - 8725/2.1=3, ~8725=3...(4) HB3 TYR 70 - QD1 LEU 79 poor 7 34 - 20 - 3.0/8480=6, 2.6/9933=3...(7) HE2 LYS 76 - QD2 LEU 72 poor 7 40 - 16 - 3.9/2143=2, 8983/8542=2...(8) HB3 TYR 70 - QG2 THR 74 poor 6 62 - 10 - 3.0/8480=5 HB3 PHE 43 - QG2 THR 74 lone 6 100 - 5 - 3.0/8618=2 HG3 MET 113 - QD2 LEU 126 lone 5 54 - 9 - 5.2/9316=2, 9327/2395=2, 10255=1 HB3 TYR 70 - QD2 LEU 72 poor 5 33 - 15 - 4.4/8493=6, 3.6/8481=5, ~8480=3 HE2 LYS 76 - QG2 THR 74 lone 5 72 - 7 - 7.4/8620=3 HB2 ASN 54 - QD1 LEU 79 lone 4 66 - 6 - ~8718=2, 8725/2.1=1 HB2 ASN 96 - QD2 LEU 72 lone 4 65 - 6 - 10121=1, 4.7/11419=1 HB2 ASN 96 - QD2 LEU 126 lone 4 58 - 7 - 3.0/9083=3, 1.8/10120=1 HB3 PHE 43 - QD2 LEU 72 lone 3 64 - 5 - HB3 ASP 40 - QG2 THR 74 lone 3 85 - 3 - HB3 ASP 137 - QD2 LEU 72 lone 2 33 - 7 - 3.8/7765=2, ~10343=1 HB3 ASP 137 - QG2 THR 74 lone 2 62 - 3 - ~10353=1 HB2 ASN 54 - QG2 THR 74 lone 2 100 - 2 - HB3 ASP 40 - QD1 LEU 79 lone 2 50 - 3 - HB3 ASP 16 - QD2 LEU 126 lone 2 58 - 3 - ~10342=1 HB3 ASP 16 - QD1 LEU 79 lone 1 66 - 2 - HB3 ASP 16 - QG2 THR 74 lone 1 100 - 1 - HB3 TYR 70 - QD2 LEU 126 lone 1 29 - 4 - 3.0/8480=3 HB3 PHE 43 - QD2 LEU 126 lone 1 57 - 2 - HB3 ASP 137 - QD2 LEU 126 lone 1 29 - 3 - HB3 ASP 137 - QD1 LEU 79 lone 1 34 - 2 - HB3 ASP 16 - QD2 LEU 72 lone 1 65 - 1 - HB3 ASP 40 - QD2 LEU 126 lone 1 43 - 1 - HB2 ASN 54 - QD2 LEU 126 lone 1 58 - 1 - Peak 8613 from aliabs.peaks (2.11, 0.80, 22.30 ppm; 3.72 A): 5 out of 28 assignments used, quality = 0.85: HB VAL 73 + QG2 THR 74 OK 49 89 - 55 - ~8604=13, 6777/4.0=11...(15) HB VAL 73 + QD2 LEU 72 OK 38 52 - 74 - 2.1/9948=10, 11608=10...(28) HB VAL 73 + QD1 LEU 79 OK 25 53 - 48 - ~8587=20, ~8739=13...(9) HB VAL 73 + QD2 LEU 126 OK 25 46 - 55 - ~10249=19, ~10338=17...(14) HB3 LYS 36 + QD1 LEU 79 OK 15 50 - 31 - 4.8/8730=4, 4.8/8730=4...(11) HB3 LYS 36 - QD2 LEU 72 poor 9 49 - 19 - 10517/11723=2, ~10173=2...(8) HG2 PRO 118 - QD2 LEU 72 poor 7 62 - 11 - ~9911=3, ~2117=1 HB3 GLU 142 - QD2 LEU 126 poor 7 29 - 24 - ~10680=4, ~11582=3...(10) HG2 GLN 111 - QD2 LEU 126 poor 4 26 - 17 - ~11592=7, ~11024=2...(5) HB3 LYS 36 - QG2 THR 74 lone 4 85 - 4 - 10517/9968=2 HG2 GLN 111 - QG2 THR 74 lone 4 57 - 6 - 6777/4.0=1, ~3626=1 HG2 GLN 111 - QD1 LEU 79 poor 3 31 - 10 - ~11022=5, ~11024=2 HB3 LYS 36 - QD2 LEU 126 lone 2 43 - 5 - HG2 PRO 33 - QD2 LEU 72 lone 2 43 - 4 - HB3 GLU 142 - QD1 LEU 79 lone 2 34 - 5 - ~8735=2, ~8735=1 HG2 PRO 118 - QD1 LEU 79 lone 2 64 - 2 - HB3 GLN 25 - QD2 LEU 72 lone 2 46 - 3 - ~9911=1 HG2 GLN 111 - QD2 LEU 72 lone 2 30 - 5 - 2113/3.9=1 HG2 PRO 118 - QG2 THR 74 lone 1 99 - 1 - HB3 GLU 142 - QD2 LEU 72 lone 1 33 - 4 - HG2 PRO 33 - QD1 LEU 79 lone 1 44 - 2 - 2.3/8428=1 HG2 PRO 33 - QG2 THR 74 lone 1 77 - 1 - HB3 GLU 142 - QG2 THR 74 lone 1 62 - 1 - HG2 PRO 118 - QD2 LEU 126 lone 1 55 - 1 - HB3 GLN 25 - QG2 THR 74 lone 0 81 - 0 - HG2 PRO 33 - QD2 LEU 126 lone 0 38 - 1 - HB3 GLN 25 - QD1 LEU 79 lone 0 47 - 1 - HB3 GLN 25 - QD2 LEU 126 lone 0 40 - 1 - Peak 8615 from aliabs.peaks (0.33, 0.80, 22.30 ppm; 3.95 A): 7 out of 8 assignments used, quality = 0.84: QD1 ILE 91 + QD2 LEU 72 OK 42 46 - 92 - 8541/2.1=30, 8542=25...(34) QD1 ILE 91 + QG2 THR 74 OK 41 81 - 51 - 11678/4.0=8, 2987/2.1=6...(21) HG2 LYS 123 + QD2 LEU 72 OK 21 54 - 39 - 8537/3.2=12, 8534/3.2=8...(8) HG2 LYS 123 + QG2 THR 74 OK 15 92 - 17 - 11678/4.0=5, 8650/8620=3 QD1 ILE 91 + QD1 LEU 79 OK 11 47 - 24 - ~8737=4, 11029/9941=4...(8) HG2 LYS 123 + QD1 LEU 79 OK 11 56 - 20 - ~8738=6, ~8738=5...(4) HG2 LYS 123 + QD2 LEU 126 OK 11 48 - 23 - 4132/2.1=3, 4.8/9476=2...(9) QD1 ILE 91 - QD2 LEU 126 lone 3 40 - 8 - 11678/6782=1...(3) Peak 8616 from aliabs.peaks (0.44, 0.80, 22.30 ppm; 3.74 A): 5 out of 8 assignments used, quality = 0.75: QG2 VAL 82 + QG2 THR 74 OK 36 92 - 39 - 10002/4.0=12, 2.1/9941=5...(10) QG2 VAL 82 + QD1 LEU 79 OK 27 56 - 49 - 2.1/9941=12, 10006/4.0=8...(16) QG2 VAL 82 + QD2 LEU 126 OK 23 48 - 47 - 10339/2.1=26, 8821/3.9=5...(12) QG2 VAL 82 + QD2 LEU 72 OK 18 54 - 32 - 8800/3.2=5, 9980/5.0=4...(13) HG2 LYS 114 + QD2 LEU 126 OK 15 57 - 26 - 10250/2.1=14, 3768/2.1=3...(7) HG2 LYS 114 - QG2 THR 74 lone 8 100 - 8 - 8702/8700=3, 10250/4304=1 HG2 LYS 114 - QD1 LEU 79 lone 6 66 - 8 - 8702/8700=2, 9358/11416=1 HG2 LYS 114 - QD2 LEU 72 lone 5 64 - 8 - 8578/2148=2, 3770/11032=2 Peak 8618 from aliabs.peaks (4.19, 0.80, 22.30 ppm; 3.35 A): 7 out of 16 assignments used, quality = 0.68: HA TRP 88 + QG2 THR 74 OK 23 96 - 23 - 8619/2.1=4, 8610/4.0=4...(7) HA PHE 67 + QG2 THR 74 OK 15 85 - 18 - 8618=9, 3.6/8443=3, 2.8/11231=3 HA TRP 88 + QD2 LEU 72 OK 15 59 - 26 - 8932=5, 10168/2.1=5...(8) HA LEU 64 + QG2 THR 74 OK 13 68 - 20 - 8619/2.1=4, 3.6/9853=4...(5) HA PHE 43 + QD1 LEU 79 OK 13 62 - 21 - 10829/2.1=9, 8618=8 HA PHE 67 + QD1 LEU 79 OK 12 50 - 25 - 8618=9, 3.6/8443=6...(5) HA TRP 88 + QD1 LEU 79 OK 12 60 - 20 - 8932=3, 6.4/9932=2...(7) HA LEU 64 - QD2 LEU 126 poor 8 32 - 24 - ~1821=4, 3.6/9853=3...(8) HA LEU 64 - QD1 LEU 79 poor 7 38 - 18 - 3.6/9853=6, ~1821=2...(5) HA PHE 43 - QG2 THR 74 lone 7 98 - 7 - 8618=3 HA PHE 67 - QD2 LEU 72 poor 5 49 - 10 - 4.9/2142=3, 6718/8493=1...(4) HA LEU 64 - QD2 LEU 72 poor 5 37 - 13 - 10168/2.1=2, 9838=2 HA TRP 88 - QD2 LEU 126 lone 5 52 - 9 - ~10254=1 HA PHE 67 - QD2 LEU 126 poor 4 43 - 10 - 8618=3, 2.8/11231=3...(4) HA PHE 43 - QD2 LEU 72 lone 3 61 - 5 - 10168/2.1=1 HA PHE 43 - QD2 LEU 126 lone 1 54 - 2 - Peak 8620 from aliabs.peaks (6.81, 0.80, 22.30 ppm; 3.46 A): 4 out of 4 assignments used, quality = 0.72: H LYS 76 + QG2 THR 74 OK 44 98 - 45 - 6805/4.3=15, 6804/3.2=11...(7) H LYS 76 + QD2 LEU 126 OK 26 54 - 48 - 6812/2.1=7, 4.6/6793=4...(22) H LYS 76 + QD2 LEU 72 OK 24 61 - 40 - 3.6/11723=7, 6814/3.2=4...(14) H LYS 76 + QD1 LEU 79 OK 11 62 - 18 - 4.6/6793=3, 3.6/9968=2...(7) Peak 8629 from aliabs.peaks (1.15, 2.13, 28.78 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.83: HG2 LYS 76 + HB2 GLU 75 OK 51 68 - 76 - 5.1/2215=20, 8636/1.8=16...(15) HG LEU 64 + HB2 GLU 75 OK 42 100 - 42 - 8634/3.0=11, 8636/1.8=9...(12) QG2 THR 92 + HB2 GLU 75 OK 41 96 - 43 - 8636/1.8=13, 8634/3.0=11...(11) Peak 8630 from aliabs.peaks (0.76, 2.13, 28.78 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.96: QD2 LEU 108 + HB2 GLU 75 OK 78 100 - 78 - 10170/1.8=23...(19) QD1 LEU 108 + HB2 GLU 75 OK 64 89 - 72 - 9258/3.0=23, ~10170=15...(14) QD1 LEU 72 + HB2 GLU 75 OK 50 68 - 74 - 2.1/11608=15...(21) Peak 8631 from aliabs.peaks (0.58, 2.13, 28.78 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.76: QG2 ILE 58 + HB2 GLU 75 OK 58 85 - 68 - 8643/3.0=30, 8632/3.0=25...(10) QG1 VAL 71 + HB2 GLU 75 OK 41 62 - 66 - 8638/1.8=20, ~9972=14...(13) Peak 8632 from aliabs.peaks (0.57, 2.20, 36.56 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.57: QG2 ILE 58 + HG2 GLU 75 OK 57 100 - 57 - 8643/1.8=32, 8631/3.0=9...(11) Peak 8633 from aliabs.peaks (0.77, 2.20, 36.56 ppm; 3.94 A): 4 out of 5 assignments used, quality = 0.97: QG2 VAL 73 + HG2 GLU 75 OK 66 100 - 67 - 2.1/2226=13, 2181/3.0=13...(16) QD1 LEU 108 + HG2 GLU 75 OK 61 98 - 62 - 9258/3.9=21, ~8642=17...(11) QD1 LEU 72 + HG2 GLU 75 OK 59 100 - 59 - 3.8/11518=11, 9258/3.9=9...(15) QD2 LEU 108 + HG2 GLU 75 OK 53 81 - 65 - 8642/1.8=25...(14) QD1 ILE 136 - HG2 GLU 75 OK 23 96 - 24 - 10341/3.0=3, 10332/3.9=3...(7) Peak 8634 from aliabs.peaks (1.16, 2.20, 36.56 ppm; 4.59 A): 3 out of 3 assignments used, quality = 0.90: HG2 LYS 76 + HG2 GLU 75 OK 78 99 - 79 - 11555/3.0=20...(15) QG2 THR 92 + HG2 GLU 75 OK 38 99 - 38 - 8636/3.0=10, 8641/1.8=8...(11) HG LEU 64 + HG2 GLU 75 OK 28 77 - 37 - 8636/3.0=7, 8629/3.0=6...(11) Peak 8635 from aliabs.peaks (1.53, 2.20, 36.56 ppm; 4.20 A): 3 out of 8 assignments used, quality = 0.86: HG3 LYS 76 + HG2 GLU 75 OK 73 96 - 76 - 1.8/8634=18, 5.1/2230=13...(17) HG3 PRO 57 + HG2 GLU 75 OK 37 92 - 40 - ~11514=8, 9927/1.8=7...(16) HB2 LYS 123 + HG2 GLU 75 OK 16 72 - 21 - ~8639=6, ~8639=6...(6) QB ALA 135 - HG2 GLU 75 poor 10 81 - 12 - 8626/5.0=3, 9927/1.8=3 HG3 LYS 85 - HG2 GLU 75 lone 9 100 - 9 - 9927/1.8=2, 2243/8646=1 HB2 LEU 29 - HG2 GLU 75 lone 9 94 - 9 - 4.2/11297=2, 9927/1.8=1...(5) HG2 LYS 93 - HG2 GLU 75 lone 6 72 - 8 - 9927/1.8=1, 2288/8634=1 HB2 GLU 122 - HG2 GLU 75 lone 3 100 - 3 - Peak 8636 from aliabs.peaks (1.16, 1.98, 28.78 ppm; 4.36 A): 3 out of 3 assignments used, quality = 0.91: HG2 LYS 76 + HB3 GLU 75 OK 77 99 - 78 - 11555=28, 2273/4.4=17...(19) QG2 THR 92 + HB3 GLU 75 OK 44 99 - 45 - 10097=10, 8634/3.0=8...(13) HG LEU 64 + HB3 GLU 75 OK 30 77 - 39 - 8634/3.0=9, 8629/1.8=7...(9) Peak 8637 from aliabs.peaks (0.76, 1.98, 28.78 ppm; 3.89 A): 4 out of 4 assignments used, quality = 0.99: QD2 LEU 108 + HB3 GLU 75 OK 80 100 - 80 - 10170=26, 8642/3.0=20...(17) QD1 LEU 108 + HB3 GLU 75 OK 74 98 - 76 - 9258/3.0=26...(14) QD1 LEU 72 + HB3 GLU 75 OK 63 85 - 74 - 3.8/2114=13...(23) QG2 VAL 73 + HB3 GLU 75 OK 50 72 - 69 - 2.1/2219=14, ~2175=10...(22) Peak 8638 from aliabs.peaks (0.59, 1.98, 28.78 ppm; 4.22 A): 3 out of 3 assignments used, quality = 0.79: QG1 VAL 71 + HB3 GLU 75 OK 73 98 - 74 - 8512/3.0=24, ~9972=15...(14) QD1 LEU 66 + HB3 GLU 75 OK 13 72 - 18 - 8631/1.8=4, 8643/3.0=4...(5) QD1 LEU 132 + HB3 GLU 75 OK 12 72 - 16 - 8632/3.0=2, 8643/3.0=2...(7) Peak 8639 from aliabs.peaks (0.33, 1.98, 28.78 ppm; 5.34 A): 2 out of 2 assignments used, quality = 0.73: HG2 LYS 123 + HB3 GLU 75 OK 49 85 - 58 - 3.8/9468=20, 8650/4.4=19...(12) QD1 ILE 91 + HB3 GLU 75 OK 46 72 - 64 - 8644/3.0=26, 8994/4.4=14...(15) Peak 8640 from aliabs.peaks (3.84, 2.29, 36.56 ppm; 4.89 A): 4 out of 15 assignments used, quality = 0.86: HB2 SER 127 + HG3 GLU 75 OK 69 96 - 71 - 8645/1.8=13, 2208/3.0=11...(15) HA ALA 104 + HG3 GLU 75 OK 30 92 - 32 - 8645/1.8=6, 10158/8642=4...(10) HA LEU 66 + HG3 GLU 75 OK 22 100 - 22 - 4.0/8643=4, 9855/2237=4...(7) HA GLN 133 + HG3 GLU 75 OK 18 99 - 19 - 8645/1.8=3, 9620/8512=2...(5) HB2 SER 127 - HG3 GLU 120 lone 5 67 - 7 - 2208/2214=1, 2216/2222=1 HA LEU 66 - HG3 GLU 120 lone 4 74 - 5 - 10786/9494=1 HB2 SER 127 - HG2 GLU 120 lone 3 52 - 6 - 2208/2214=1 HB2 SER 100 - HG3 GLU 75 lone 3 96 - 3 - HA LEU 66 - HG2 GLU 120 lone 2 58 - 4 - 10786/9494=1 HA ALA 104 - HG3 GLU 120 lone 2 62 - 4 - HA GLN 133 - HG3 GLU 120 lone 2 71 - 3 - HA ALA 104 - HG2 GLU 120 lone 1 48 - 3 - HA GLN 133 - HG2 GLU 120 lone 1 55 - 2 - HB2 SER 100 - HG3 GLU 120 lone 1 67 - 1 - HB2 SER 100 - HG2 GLU 120 lone 1 52 - 1 - Peak 8641 from aliabs.peaks (1.16, 2.29, 36.56 ppm; 4.87 A): 3 out of 9 assignments used, quality = 0.93: HG2 LYS 76 + HG3 GLU 75 OK 83 100 - 84 - 8634/1.8=23...(20) QG2 THR 92 + HG3 GLU 75 OK 43 98 - 44 - 8634/1.8=11, 8636/3.0=11...(11) HG LEU 64 + HG3 GLU 75 OK 32 72 - 44 - 8634/1.8=13, 8636/3.0=8...(12) HG2 LYS 76 - HG3 GLU 120 OK 17 72 - 23 - ~11604=3, 11553/1.8=3...(9) HG2 LYS 76 - HG2 GLU 120 OK 11 56 - 19 - 3.0/11604=3, 2274/3.8=2...(9) QG2 THR 92 - HG3 GLU 120 lone 5 69 - 7 - 8636/2222=1 HG LEU 64 - HG3 GLU 120 lone 3 46 - 7 - 8634/2229=1 QG2 THR 92 - HG2 GLU 120 lone 3 54 - 6 - HG LEU 64 - HG2 GLU 120 lone 2 35 - 6 - Peak 8642 from aliabs.peaks (0.73, 2.29, 36.56 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.47: QD1 LEU 87 + HG3 GLU 75 OK 28 92 - 30 - 8892/3.0=7, 8893=7...(8) QD1 LEU 87 + HG3 GLU 120 OK 17 62 - 27 - 8893=6, 8893/1.8=5...(9) QD1 LEU 87 + HG2 GLU 120 OK 12 48 - 26 - 8893=5, 8893/1.8=5...(6) Peak 8643 from aliabs.peaks (0.57, 2.29, 36.56 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.56: QG2 ILE 58 + HG3 GLU 75 OK 56 99 - 57 - 8632/1.8=34, 8631/3.0=11...(10) QG2 ILE 58 - HG3 GLU 120 lone 4 71 - 6 - 8632/2229=3, 8631/2214=1 QG2 ILE 58 - HG2 GLU 120 lone 3 55 - 5 - 8632/2229=2, 8631/2214=1 Peak 8644 from aliabs.peaks (0.31, 2.29, 36.56 ppm; 6.49 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8645 from aliabs.peaks (3.85, 2.20, 36.56 ppm; 4.11 A): 6 out of 7 assignments used, quality = 0.85: HB2 SER 127 + HG2 GLU 75 OK 61 98 - 63 - 1.8/2225=12, 2208/3.0=11...(14) HA ALA 104 + HG2 GLU 75 OK 28 100 - 28 - 2208/3.0=5, 8640/1.8=5...(8) HA MET 68 + HG2 GLU 75 OK 18 81 - 22 - 8640/1.8=5, 8439/9972=5...(6) HD2 PRO 118 + HG2 GLU 75 OK 15 96 - 15 - 4.8/2224=5, 8640/1.8=2...(4) HA GLN 133 + HG2 GLU 75 OK 13 94 - 14 - 8640/1.8=2, 8506/9972=1...(4) HA LEU 66 + HG2 GLU 75 OK 11 81 - 14 - 4.0/8632=3, 8640/1.8=2...(5) HA LYS 36 - HG2 GLU 75 lone 4 81 - 5 - 2216/3.0=1, 2208/3.0=1 Peak 8646 from aliabs.peaks (4.15, 2.20, 36.56 ppm; 4.47 A): 3 out of 7 assignments used, quality = 0.88: HA LYS 76 + HG2 GLU 75 OK 77 98 - 79 - 3.0/2230=23, ~2237=15...(13) HA GLU 120 + HG2 GLU 75 OK 35 72 - 48 - 3.8/2229=7, 8647/3.0=6...(17) HA LEU 126 + HG2 GLU 75 OK 17 100 - 17 - ~10340=5, 8647/3.0=2...(6) HB3 SER 44 - HG2 GLU 75 lone 9 92 - 10 - 8647/3.0=1, ~8647=1 HB2 SER 44 - HG2 GLU 75 lone 9 89 - 10 - 8647/3.0=1, ~8647=1, ~8647=1 HA GLU 131 - HG2 GLU 75 lone 7 94 - 7 - HA3 GLY 125 - HG2 GLU 75 lone 7 100 - 7 - ~7562=3, 8647/3.0=1 Peak 8647 from aliabs.peaks (4.16, 2.13, 28.78 ppm; 4.97 A): 2 out of 8 assignments used, quality = 0.93: HA LYS 76 + HB2 GLU 75 OK 85 100 - 85 - 3.0/2215=30, ~2223=23...(14) HA GLU 120 + HB2 GLU 75 OK 51 94 - 55 - 3.8/2214=9, 8646/3.0=9...(18) HA LEU 126 - HB2 GLU 75 OK 20 92 - 21 - 6811/4.4=6, ~10340=5...(6) HB3 SER 44 - HB2 GLU 75 OK 12 100 - 12 - 6811/4.4=2, 8646/3.0=2...(4) HB2 SER 44 - HB2 GLU 75 OK 12 100 - 12 - 6811/4.4=2, 8646/3.0=2...(4) HA3 GLY 125 - HB2 GLU 75 OK 11 100 - 11 - ~7562=4, 6811/4.4=2...(4) HA GLU 131 - HB2 GLU 75 lone 6 72 - 9 - 6811/4.4=2, 8646/3.0=2 HA PHE 38 - HB2 GLU 75 lone 5 77 - 7 - 8509/8513=1 Peak 8652 from aliabs.peaks (0.71, 4.16, 54.47 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 87 + HA LYS 76 OK 76 100 - 77 - 8897/2.9=19, 8665/5.4=14...(22) QD1 LEU 87 + HA LYS 76 OK 63 85 - 74 - 8903=12, ~8897=10...(22) Peak 8653 from aliabs.peaks (0.43, 4.16, 54.47 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.80: QG2 VAL 82 + HA LYS 76 OK 80 85 - 94 - 8657/2.9=33, 8655/2.9=33...(20) Peak 8654 from aliabs.peaks (0.73, 1.48, 31.66 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 87 + HB2 LYS 76 OK 93 100 - 93 - 8660/3.0=25, 8665/3.5=17...(26) QD2 LEU 87 + HB2 LYS 76 OK 57 68 - 85 - ~8660=16, 8897/1.8=14...(24) Peak 8655 from aliabs.peaks (0.42, 1.48, 31.66 ppm; 3.80 A): 0 out of 1 assignment used, low quality = 0.44: QD2 LEU 132 - HB2 LYS 76 OK 44 92 - 48 - 10092/3.0=17...(10) Peak 8658 from aliabs.peaks (0.33, 1.17, 24.61 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.95: HG2 LYS 123 + HG2 LYS 76 OK 81 94 - 86 - 8663/3.0=16, 8666/3.0=16...(41) QD1 ILE 91 + HG2 LYS 76 OK 72 85 - 85 - 8666/3.0=24, 8663/3.0=23...(26) Peak 8660 from aliabs.peaks (0.73, 1.53, 24.61 ppm; 3.88 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 87 + HG3 LYS 76 OK 88 96 - 91 - ~8665=17, 8665/3.0=17...(31) QD1 LEU 87 + HG2 LYS 93 OK 28 74 - 38 - 10064/4.0=5, ~8897=4...(16) Peak 8661 from aliabs.peaks (0.34, 1.53, 24.61 ppm; 4.28 A): 2 out of 6 assignments used, quality = 0.97: HG2 LYS 123 + HG3 LYS 76 OK 87 96 - 90 - 8658/1.8=21, 8666/3.0=16...(48) QD1 ILE 91 + HG3 LYS 76 OK 76 89 - 86 - 8658/1.8=29, 8666/3.0=26...(17) QD1 ILE 91 - HG2 LYS 93 OK 25 65 - 39 - 2990/1.8=5, 8980=5...(14) QD2 LEU 42 - HG3 LYS 76 OK 17 57 - 29 - 8813/11717=7, ~9074=5...(9) HG2 LYS 123 - HG2 LYS 93 OK 13 74 - 17 - 8666/2291=2, 8658/2288=2...(4) QD2 LEU 42 - HG2 LYS 93 lone 4 39 - 10 - 8813/11717=2, ~8145=2 Peak 8662 from aliabs.peaks (0.71, 1.54, 27.63 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 87 + HD2 LYS 76 OK 81 100 - 81 - 8665/1.8=31, 8897/3.5=13...(20) QD1 LEU 87 + HD2 LYS 76 OK 63 85 - 74 - ~8665=20, 8665/1.8=15...(17) Peak 8663 from aliabs.peaks (0.33, 1.54, 27.63 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.85: HG2 LYS 123 + HD2 LYS 76 OK 68 81 - 83 - 8666/1.8=19, 8658/3.0=17...(35) QD1 ILE 91 + HD2 LYS 76 OK 53 68 - 78 - 8666/1.8=29, 8658/3.0=23...(21) Peak 8664 from aliabs.peaks (0.43, 1.54, 27.63 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.96: QG2 VAL 82 + HD2 LYS 76 OK 96 99 - 97 - 11718/1.8=44...(20) HG2 LYS 114 - HD2 LYS 76 OK 41 68 - 61 - 3813/3.0=8, 3813/3.0=8...(22) Peak 8665 from aliabs.peaks (0.71, 1.36, 27.63 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.75: QD2 LEU 87 + HD3 LYS 76 OK 75 99 - 75 - 8662/1.8=18, 8897/3.5=12...(18) QD2 LEU 39 - HD3 LYS 76 lone 5 77 - 6 - 10978/1.8=1 Peak 8666 from aliabs.peaks (0.34, 1.36, 27.63 ppm; 3.72 A): 3 out of 3 assignments used, quality = 0.91: HG2 LYS 123 + HD3 LYS 76 OK 69 98 - 71 - 8663/1.8=15, 8658/3.0=13...(24) QD1 ILE 91 + HD3 LYS 76 OK 66 92 - 72 - 8663/1.8=25, 8658/3.0=18...(18) QD2 LEU 42 + HD3 LYS 76 OK 16 62 - 25 - 8813/11718=9, ~9074=3...(11) Peak 8684 from aliabs.peaks (2.14, 3.52, 44.28 ppm; 5.28 A): 4 out of 7 assignments used, quality = 0.90: HG2 GLU 81 + HA2 GLY 77 OK 68 72 - 94 - 1.8/8771=45, 3.0/9994=30...(13) HB2 GLU 75 + HA2 GLY 77 OK 40 85 - 47 - ~8683=21, ~8676=14...(7) HB2 GLN 133 + HA2 GLY 77 OK 25 100 - 26 - 8688/1.8=6, ~8688=5...(6) HB3 GLN 133 + HA2 GLY 77 OK 25 99 - 26 - 8688/1.8=7, ~8688=5...(6) HG3 PRO 118 - HA2 GLY 77 lone 7 98 - 7 - 2466/8771=2, 8688/1.8=1 HB VAL 53 - HA2 GLY 77 lone 5 85 - 6 - ~10629=2, ~10633=2 HG2 GLN 111 - HA2 GLY 77 lone 4 77 - 6 - 11483/10258=2 Peak 8685 from aliabs.peaks (1.73, 3.52, 44.28 ppm; 4.56 A): 2 out of 9 assignments used, quality = 0.99: HB2 GLU 81 + HA2 GLY 77 OK 94 99 - 95 - 9994=35, 3.0/8771=32...(20) HB3 GLU 81 + HA2 GLY 77 OK 87 92 - 94 - 3.0/8771=32, 3.0/8769=31...(19) HB3 ARG 144 - HA2 GLY 77 OK 35 98 - 36 - 4893/1.8=6, 3.0/2341=6...(13) HB2 ARG 49 - HA2 GLY 77 OK 22 96 - 23 - 3.0/10938=9, 8697/3.6=6...(5) HD2 LYS 36 - HA2 GLY 77 OK 14 100 - 14 - 10782/3.6=3, 9994=3...(6) HG3 ARG 140 - HA2 GLY 77 lone 6 98 - 6 - 8697/3.6=3, 8689/1.8=1 HB ILE 58 - HA2 GLY 77 lone 3 100 - 3 - HB3 ARG 109 - HA2 GLY 77 lone 2 72 - 3 - HG3 ARG 89 - HA2 GLY 77 lone 2 85 - 2 - Peak 8686 from aliabs.peaks (0.65, 3.52, 44.28 ppm; 6.45 A): 1 out of 3 assignments used, quality = 0.86: QD1 LEU 126 + HA2 GLY 77 OK 86 96 - 89 - 8673/3.0=47, 9497/3.6=43...(8) QD2 LEU 64 - HA2 GLY 77 lone 7 100 - 7 - 8373/8769=1, 4311/8687=1 QD1 ILE 56 - HA2 GLY 77 lone 2 98 - 3 - Peak 8687 from aliabs.peaks (0.79, 3.52, 44.28 ppm; 6.70 A): 5 out of 6 assignments used, quality = 0.85: QG2 THR 74 + HA2 GLY 77 OK 59 77 - 77 - ~8681=33, ~8682=26...(9) QG2 VAL 73 + HA2 GLY 77 OK 35 62 - 56 - ~8675=36, ~9920=24, ~8688=5 QD1 LEU 79 + HA2 GLY 77 OK 22 81 - 28 - 8700/3.6=9, 8672/3.0=7...(6) QD2 LEU 95 + HA2 GLY 77 OK 16 89 - 17 - 8700/3.6=8, 8672/3.0=4 QD2 LEU 72 + HA2 GLY 77 OK 15 100 - 15 - 10260/3.6=6, 9996/8771=3...(4) QD1 ILE 136 - HA2 GLY 77 lone 3 77 - 4 - Peak 8688 from aliabs.peaks (2.14, 4.37, 44.28 ppm; 5.20 A): 4 out of 8 assignments used, quality = 0.95: HG2 GLU 81 + HA3 GLY 77 OK 82 85 - 96 - ~8771=36, ~8771=35...(14) HB2 GLU 75 + HA3 GLY 77 OK 39 72 - 53 - ~8683=20, ~8676=13...(8) HB3 GLN 133 + HA3 GLY 77 OK 33 100 - 33 - 8684/1.8=7, 8688=5...(7) HB2 GLN 133 + HA3 GLY 77 OK 33 100 - 33 - 8684/1.8=7, 8688=6...(7) HG LEU 29 - HA3 GLY 77 poor 9 68 - 13 - 8678/3.0=5, 2.1/8062=3...(4) HG3 PRO 118 - HA3 GLY 77 lone 8 100 - 8 - 8684/1.8=2, 8688=2, 2466/9973=1 HB VAL 53 - HA3 GLY 77 lone 5 72 - 6 - ~10629=2, ~10633=2, 8684/1.8=1 HG2 GLN 111 - HA3 GLY 77 lone 2 62 - 4 - 8684/1.8=1 Peak 8689 from aliabs.peaks (1.74, 4.37, 44.28 ppm; 4.53 A): 2 out of 8 assignments used, quality = 0.99: HB2 GLU 81 + HA3 GLY 77 OK 96 100 - 96 - 9994/1.8=37, 3.0/8773=23...(19) HB3 GLU 81 + HA3 GLY 77 OK 78 81 - 96 - ~9994=27, 3.0/8773=23...(20) HB3 ARG 144 - HA3 GLY 77 OK 37 92 - 40 - 8689=7, 1.8/4884=6...(14) HB2 ARG 49 - HA3 GLY 77 OK 24 100 - 24 - ~10938=6, 8697/3.6=6...(5) HD2 LYS 36 - HA3 GLY 77 OK 12 96 - 13 - 9994/1.8=3, 10782/3.6=3...(6) HG3 ARG 140 - HA3 GLY 77 lone 7 100 - 7 - 8697/3.6=3, 8689=1 HB ILE 58 - HA3 GLY 77 lone 2 96 - 3 - HG3 ARG 89 - HA3 GLY 77 lone 1 72 - 2 - Peak 8690 from aliabs.peaks (2.28, 3.52, 44.28 ppm; 6.80 A): 6 out of 9 assignments used, quality = 0.79: HG3 GLU 75 + HA2 GLY 77 OK 35 72 - 49 - ~8676=18, 3.0/8684=11...(9) HG3 GLU 142 + HA2 GLY 77 OK 35 100 - 35 - 4.0/10938=13...(4) HG2 GLU 90 + HA2 GLY 77 OK 18 100 - 18 - ~9928=8, 9928/1.8=5, 8679/3.0=3 HG2 GLU 131 + HA2 GLY 77 OK 18 100 - 18 - 9928/1.8=6, 8679/3.0=5...(4) HB3 MET 113 + HA2 GLY 77 OK 14 98 - 15 - 9928/1.8=5, ~9928=4, 8679/3.0=3 HG2 GLU 120 + HA2 GLY 77 OK 13 94 - 13 - 9494/10258=5, ~9973=2 HG3 GLU 120 - HA2 GLY 77 lone 5 72 - 7 - 9494/10258=1 HG3 PRO 129 - HA2 GLY 77 lone 4 72 - 6 - 9928/1.8=2 HG2 GLN 62 - HA2 GLY 77 lone 4 62 - 6 - 9494/10258=2 Peak 8704 from aliabs.peaks (0.65, 3.08, 43.05 ppm; 4.14 A): 3 out of 4 assignments used, quality = 0.93: QD1 LEU 126 + HA2 GLY 78 OK 85 100 - 85 - 10256=35, 10253/1.8=31...(10) QD2 LEU 79 + HA2 GLY 78 OK 41 81 - 50 - 6850/3.6=18, 8711/1.8=13...(11) QD2 LEU 64 + HA2 GLY 78 OK 19 96 - 19 - 6850/3.6=7, 8711/1.8=5...(5) QD1 ILE 56 - HA2 GLY 78 lone 7 100 - 7 - 9685/9669=1, 8603/8607=1 Peak 8705 from aliabs.peaks (0.78, 3.08, 43.05 ppm; 4.04 A): 3 out of 5 assignments used, quality = 0.80: QG2 VAL 73 + HA2 GLY 78 OK 63 99 - 63 - ~8712=20, ~8703=19...(7) QD1 ILE 136 + HA2 GLY 78 OK 37 100 - 37 - 9669=16, 9686/8706=4...(7) QD1 LEU 72 + HA2 GLY 78 OK 16 94 - 17 - 2.1/9954=4, ~8710=2...(6) QD2 LEU 72 - HA2 GLY 78 poor 7 68 - 10 - 9954=2, 10260/3.0=2...(4) QD1 LEU 108 - HA2 GLY 78 lone 2 77 - 3 - Peak 8706 from aliabs.peaks (0.41, 3.08, 43.05 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.36: QD2 LEU 132 - HA2 GLY 78 OK 36 100 - 36 - 9686/9669=7, 3.8/11610=6...(12) Peak 8707 from aliabs.peaks (0.09, 3.08, 43.05 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8708 from aliabs.peaks (1.70, 4.28, 43.05 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.70: HB3 LEU 95 + HA3 GLY 78 OK 61 94 - 65 - ~2349=10, 1.8/3128=10...(14) HD2 LYS 93 + HA3 GLY 78 OK 13 81 - 16 - 3.4/8709=6, ~10751=2 HD2 LYS 86 + HA3 GLY 78 OK 11 98 - 11 - 3130/3128=1, 3.0/2352=1 HG LEU 26 - HA3 GLY 78 lone 5 96 - 5 - HG LEU 97 - HA3 GLY 78 lone 3 77 - 4 - HG3 ARG 141 - HA3 GLY 78 lone 3 72 - 4 - Peak 8709 from aliabs.peaks (1.86, 4.28, 43.05 ppm; 6.80 A): 1 out of 8 assignments used, quality = 0.96: HB3 LEU 126 + HA3 GLY 78 OK 96 99 - 97 - ~8704=44, ~10256=36...(14) HG LEU 69 - HA3 GLY 78 OK 21 100 - 21 - 8472/8711=4, 8592/8712=4...(5) HB3 LYS 76 - HA3 GLY 78 OK 13 100 - 13 - 8592/8712=5...(3) HB3 LYS 85 - HA3 GLY 78 OK 13 89 - 15 - 1.8/8708=7, 4301/10253=1...(4) HB2 LYS 93 - HA3 GLY 78 OK 11 68 - 16 - 3.4/8708=5, 4301/10253=3...(5) HB2 LYS 48 - HA3 GLY 78 lone 6 77 - 8 - 4.3/6463=3 HB3 GLU 28 - HA3 GLY 78 lone 4 100 - 4 - 8592/8712=1 HB2 ARG 144 - HA3 GLY 78 lone 4 62 - 6 - ~6838=2 Peak 8710 from aliabs.peaks (0.79, 4.28, 43.05 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.96: QG2 THR 74 + HA3 GLY 78 OK 70 92 - 77 - 3.2/11002=16...(13) QD2 LEU 126 + HA3 GLY 78 OK 52 62 - 83 - 2.1/10253=29, ~8704=23...(12) QD1 LEU 79 + HA3 GLY 78 OK 46 94 - 48 - 2.1/8711=15, 2397/3.6=13...(9) QD2 LEU 95 + HA3 GLY 78 OK 44 98 - 45 - 3.1/8708=12, 8705/1.8=8...(11) QD2 LEU 72 - HA3 GLY 78 OK 21 100 - 21 - 9948/8712=7, 9954/1.8=6...(4) QG1 VAL 80 - HA3 GLY 78 lone 5 62 - 8 - 6851/3.6=3, 4304/10253=2 Peak 8711 from aliabs.peaks (0.64, 4.28, 43.05 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.81: QD1 LEU 126 + HA3 GLY 78 OK 63 81 - 78 - 10256/1.8=24, 10253=24...(11) QD2 LEU 79 + HA3 GLY 78 OK 48 100 - 48 - 6850/3.6=22, 2.1/8710=7...(9) QD1 ILE 56 - HA3 GLY 78 lone 3 77 - 4 - 8704/1.8=1 Peak 8712 from aliabs.peaks (0.10, 4.28, 43.05 ppm; 4.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8714 from aliabs.peaks (0.42, 3.14, 58.71 ppm; 4.36 A): 2 out of 2 assignments used, quality = 0.77: QD2 LEU 132 + HA LEU 79 OK 55 72 - 76 - 8714=27, 8738/3.8=22...(13) QG2 VAL 82 + HA LEU 79 OK 49 62 - 78 - 2.1/8794=33, 3.2/2363=19...(10) Peak 8715 from aliabs.peaks (0.11, 3.14, 58.71 ppm; 3.68 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8716 from aliabs.peaks (7.15, 0.64, 26.93 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.61: QD TYR 117 + QD2 LEU 79 OK 61 77 - 79 - 2.2/9981=34, 8716=30...(11) Peak 8717 from aliabs.peaks (6.92, 0.64, 26.93 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.69: QD TYR 112 + QD2 LEU 79 OK 69 85 - 81 - 8717=42, 8719/2.1=19...(19) Peak 8718 from aliabs.peaks (6.84, 0.64, 26.93 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.83: HZ2 TRP 88 + QD2 LEU 79 OK 79 89 - 89 - 8718=43, 8720/2.1=21...(15) QD PHE 67 + QD2 LEU 79 OK 18 89 - 20 - 8720/2.1=8, ~8730=4...(5) Peak 8725 from aliabs.peaks (2.76, 0.64, 26.93 ppm; 4.08 A): 6 out of 12 assignments used, quality = 0.94: HG3 MET 113 + QD2 LEU 79 OK 76 89 - 86 - 9327=39, 1.8/9326=35...(16) HE2 LYS 76 + QD2 LEU 79 OK 30 100 - 30 - 8725=7, 1.8/8725=6...(8) HE3 LYS 76 + QD2 LEU 79 OK 29 99 - 30 - 8725=7, 1.8/8725=6...(8) HE2 LYS 114 + QD2 LEU 79 OK 23 96 - 23 - 8140/8716=8, 8725=6...(7) HB2 ASN 96 + QD2 LEU 79 OK 22 72 - 31 - ~9083=8, ~10120=5...(9) HB3 PHE 43 + QD2 LEU 79 OK 15 77 - 20 - ~10829=6, 8725=4...(5) HB2 PHE 38 - QD2 LEU 79 lone 8 89 - 9 - 8108/8718=6 HB3 ASP 40 - QD2 LEU 79 lone 7 99 - 7 - 8725=2 HB2 ASN 54 - QD2 LEU 79 lone 7 72 - 10 - 3.5/8718=3, 8725=2 HB3 ASP 137 - QD2 LEU 79 lone 7 100 - 7 - 9652/9680=2 HB2 ASP 41 - QD2 LEU 79 lone 1 62 - 2 - HB3 ASP 16 - QD2 LEU 79 lone 1 68 - 1 - Peak 8726 from aliabs.peaks (3.23, 0.64, 26.93 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.93: HD3 ARG 124 + QD2 LEU 79 OK 81 98 - 83 - 1.8/9478=23, 8726=17...(25) HB3 TYR 117 + QD2 LEU 79 OK 62 77 - 80 - 2.7/8716=37, 4.5/9981=25...(9) HG3 MET 46 - QD2 LEU 79 OK 22 72 - 30 - 3.0/10711=21, 8726=6...(4) HD2 ARG 140 - QD2 LEU 79 OK 14 81 - 18 - 8726=4, 1.8/8726=3, 4247/9478=2 HD3 ARG 140 - QD2 LEU 79 OK 14 81 - 17 - 1.8/8726=3, 8726=3...(4) HD3 ARG 89 - QD2 LEU 79 lone 6 94 - 6 - 8726=1 Peak 8727 from aliabs.peaks (3.42, 0.64, 26.93 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.93: HB3 TYR 112 + QD2 LEU 79 OK 67 81 - 82 - 2.7/8717=43, 8727=22...(13) HA THR 74 + QD2 LEU 79 OK 65 85 - 76 - 3.0/8605=13, 8603=12...(32) HD2 PRO 98 + QD2 LEU 79 OK 43 100 - 43 - 8727=14, 9145/2.1=9...(9) Peak 8728 from aliabs.peaks (3.60, 0.64, 26.93 ppm; 5.14 A): 3 out of 3 assignments used, quality = 0.76: HA ARG 109 + QD2 LEU 79 OK 63 89 - 71 - 9271/2.1=19, 8728=14...(23) HA LYS 61 + QD2 LEU 79 OK 27 100 - 27 - 5.2/2391=4, 5.2/2391=4...(11) HA2 GLY 31 + QD2 LEU 79 OK 12 98 - 12 - 4702/8718=7, 8728=3 Peak 8729 from aliabs.peaks (3.99, 0.64, 26.93 ppm; 4.30 A): 3 out of 7 assignments used, quality = 0.93: HA MET 113 + QD2 LEU 79 OK 85 96 - 88 - 9319=32, 3.7/9327=29...(19) HA LEU 69 + QD2 LEU 79 OK 39 57 - 68 - 3.9/8478=14, ~9930=12...(16) HA LYS 114 + QD2 LEU 79 OK 21 92 - 23 - 8729=3, 3715/9327=3...(11) HA GLU 75 - QD2 LEU 79 OK 20 81 - 25 - 3.0/8735=6, ~6793=5...(7) HB2 SER 138 - QD2 LEU 79 OK 19 98 - 20 - 8729=3, 1.8/8729=3...(7) HB3 SER 138 - QD2 LEU 79 OK 19 96 - 20 - 8729=3, 1.8/8729=3...(7) HB3 SER 127 - QD2 LEU 79 OK 17 99 - 17 - 10266/2.1=4, 8729=3...(4) Peak 8730 from aliabs.peaks (3.02, 0.80, 22.65 ppm; 3.70 A): 7 out of 16 assignments used, quality = 0.84: HE2 LYS 36 + QD1 LEU 79 OK 36 100 - 37 - 8730=14, 1.8/8730=11...(8) HE3 LYS 36 + QD1 LEU 79 OK 36 100 - 36 - 8730=14, 1.8/8730=12...(8) HB2 PHE 67 + QD1 LEU 79 OK 27 100 - 27 - 2.6/9977=7, 4.4/8443=6...(7) HB2 PHE 67 + QD2 LEU 95 OK 18 93 - 20 - 4.4/8443=6, 2.6/9977=3...(5) HB3 ASP 65 + QD1 LEU 79 OK 14 62 - 23 - 1.8/8382=7, 4.0/9853=6...(5) HB3 ASP 65 + QD2 LEU 95 OK 13 53 - 25 - 1.8/8382=8, 4.0/9853=5...(7) HB2 PHE 67 + QG2 THR 74 OK 10 66 - 15 - 3.0/8618=4, 4.4/8443=3...(4) HE2 LYS 36 - QD2 LEU 95 lone 6 92 - 7 - 8730=2, 1.8/8730=2 HE3 LYS 36 - QD2 LEU 95 lone 6 92 - 7 - 8730=2, 1.8/8730=2 HB3 ASP 65 - QG2 THR 74 poor 5 34 - 15 - 1.8/8382=5, 4.0/9853=4...(5) HE2 LYS 36 - QD2 LEU 72 lone 3 35 - 9 - 3.0/8784=1 HB2 PHE 67 - QD2 LEU 72 lone 3 35 - 9 - 8450/8424=2, 10843/3.2=1 HE3 LYS 36 - QD2 LEU 72 lone 3 34 - 9 - 3.0/8784=1 HE2 LYS 36 - QG2 THR 74 lone 2 66 - 4 - HE3 LYS 36 - QG2 THR 74 lone 2 65 - 4 - HB3 ASP 65 - QD2 LEU 72 poor 2 17 - 10 - 1.8/8382=3, ~8386=2...(4) Peak 8732 from aliabs.peaks (3.64, 0.80, 22.65 ppm; 3.38 A): 3 out of 8 assignments used, quality = 0.68: HD3 PRO 12 + QD2 LEU 95 OK 50 92 - 55 - 8732=11, 61/2.1=7...(22) HA2 GLY 94 + QD2 LEU 95 OK 26 78 - 33 - 3.5/7119=15, ~9066=7...(7) HA2 GLY 94 + QD2 LEU 72 OK 14 27 - 51 - 9053/2.1=12, 9053=12...(9) HA2 GLY 94 - QD1 LEU 79 lone 9 89 - 10 - 3.5/7119=6, 8732=2, 3.0/9049=1 HD3 PRO 12 - QD1 LEU 79 lone 9 100 - 9 - 8732=2 HD3 PRO 12 - QD2 LEU 72 lone 2 34 - 6 - 10230/2.1=2 HA2 GLY 94 - QG2 THR 74 lone 2 53 - 4 - 3.5/7119=2 HD3 PRO 12 - QG2 THR 74 lone 1 65 - 2 - Peak 8733 from aliabs.peaks (4.00, 0.80, 22.65 ppm; 3.48 A): 6 out of 36 assignments used, quality = 0.90: HA MET 113 + QD1 LEU 79 OK 50 100 - 50 - 9319/2.1=17, ~9323=10...(11) HA LEU 69 + QD1 LEU 79 OK 41 85 - 48 - 2.9/9930=14, 8468=8...(10) HA LEU 69 + QD2 LEU 95 OK 32 75 - 43 - 2.9/9930=10, 8468=8...(14) HB3 SER 138 + QD2 LEU 95 OK 23 93 - 25 - 4.7/9937=4, ~10345=3...(14) HB2 SER 138 + QD2 LEU 95 OK 23 93 - 25 - 4.7/9937=4, ~10345=3...(14) HB3 SER 127 + QD2 LEU 95 OK 17 92 - 18 - ~10363=7, 10364/2.1=3...(4) HA LEU 69 - QD2 LEU 72 OK 14 26 - 55 - 8468=7, 2007/5.0=7...(20) HB2 SER 138 - QD1 LEU 79 OK 13 100 - 13 - 4.7/9937=4, 8729/2.1=2...(5) HB3 SER 138 - QD1 LEU 79 OK 13 100 - 13 - 4.7/9937=4, 8729/2.1=2...(5) HB3 SER 127 - QD1 LEU 79 OK 12 100 - 12 - 10266=2, 1.8/10265=2...(5) HA MET 113 - QG2 THR 74 OK 11 66 - 17 - 11700/4.3=4, 3.0/9316=4...(6) HA MET 113 - QD2 LEU 95 OK 10 93 - 11 - 3.0/9316=2, 9319/2402=2 HA LYS 114 - QD1 LEU 79 OK 10 100 - 10 - 8729/2.1=2 HA LEU 69 - QG2 THR 74 poor 9 50 - 18 - 2.9/9930=3, 8468=3...(7) HB3 SER 127 - QD2 LEU 72 poor 8 35 - 22 - 9957/2.1=3, 4326/3.9=3...(9) HB3 SER 127 - QG2 THR 74 poor 7 66 - 11 - 6794/4.3=3, 4.0/7588=2...(4) HA GLU 122 - QD2 LEU 95 poor 7 58 - 12 - ~9460=3, 3.0/9936=2...(5) HA LYS 114 - QD2 LEU 95 lone 6 92 - 6 - HA GLU 122 - QD1 LEU 79 lone 5 68 - 8 - 3.0/9936=1, 8468=1, 8729/2.1=1 HA MET 113 - QD2 LEU 72 poor 5 35 - 13 - 9957/2.1=2, 5.4/9331=2...(4) HB3 SER 138 - QG2 THR 74 lone 3 66 - 5 - 4.7/9937=3 HB2 SER 138 - QG2 THR 74 lone 3 66 - 5 - 4.7/9937=3 HA LYS 114 - QD2 LEU 72 lone 3 35 - 8 - 9957/2.1=1 HB2 SER 138 - QD2 LEU 72 lone 3 35 - 8 - 9957/2.1=1 HB3 SER 138 - QD2 LEU 72 lone 3 35 - 8 - 9957/2.1=1 HA LYS 114 - QG2 THR 74 lone 3 66 - 4 - HA GLU 122 - QG2 THR 74 lone 2 38 - 5 - 4.9/8618=2 HB3 SER 100 - QG2 THR 74 lone 2 38 - 5 - ~8609=2, ~8609=1 HB3 SER 100 - QD1 LEU 79 lone 1 68 - 2 - HA GLU 122 - QD2 LEU 72 lone 1 19 - 7 - 2007/5.0=1 HB3 SER 100 - QD2 LEU 95 lone 1 58 - 2 - HB2 SER 103 - QD2 LEU 95 lone 1 58 - 2 - HB2 SER 103 - QD1 LEU 79 lone 1 68 - 1 - HB2 SER 103 - QD2 LEU 72 lone 1 19 - 4 - 4.6/2148=2 HB2 SER 103 - QG2 THR 74 lone 0 38 - 1 - HB3 SER 100 - QD2 LEU 72 lone 0 19 - 2 - Peak 8734 from aliabs.peaks (2.25, 0.64, 26.93 ppm; 3.97 A): 5 out of 7 assignments used, quality = 0.94: HG2 MET 113 + QD2 LEU 79 OK 88 100 - 88 - 9326=43, 1.8/9327=39...(17) HG3 GLU 90 + QD2 LEU 79 OK 25 92 - 27 - 8734=10, 3718/9327=6...(6) HG3 GLN 62 + QD2 LEU 79 OK 16 81 - 19 - 1.8/8345=5, 8345=4...(5) HG2 GLN 62 + QD2 LEU 79 OK 13 77 - 17 - 1.8/8345=5, ~9828=3...(5) HG3 PRO 129 + QD2 LEU 79 OK 12 68 - 18 - 8734=6, 9532/9981=4...(6) HB3 PRO 12 - QD2 LEU 79 poor 10 85 - 11 - 1.8/8736=2, 9384/10300=2...(4) HG2 GLU 37 - QD2 LEU 79 lone 2 72 - 3 - 10768/8717=2 Peak 8735 from aliabs.peaks (1.98, 0.64, 26.93 ppm; 4.60 A): 4 out of 5 assignments used, quality = 0.71: HB3 ARG 124 + QD2 LEU 79 OK 49 62 - 79 - 3.8/9478=17, 3.8/8726=11...(28) HB3 GLU 75 + QD2 LEU 79 OK 23 100 - 23 - 8735=5, 3.0/8729=3...(6) HB ILE 56 + QD2 LEU 79 OK 15 89 - 17 - ~10133=2, 1456=2...(9) HB2 GLU 142 + QD2 LEU 79 OK 13 98 - 13 - 8735=3, 4843/9323=1...(4) HB3 MET 11 - QD2 LEU 79 lone 5 62 - 7 - 4243/9478=1 Peak 8736 from aliabs.peaks (1.76, 0.64, 26.93 ppm; 4.72 A): 3 out of 5 assignments used, quality = 0.94: HG LEU 95 + QD2 LEU 79 OK 83 100 - 83 - 3148/2.1=14, 2.1/2402=11...(28) HB ILE 83 + QD2 LEU 79 OK 50 68 - 75 - ~9075=10, 3.0/2393=9...(25) HG LEU 66 + QD2 LEU 79 OK 28 99 - 28 - 3.7/11154=14, 3148/2.1=2...(5) HB3 ARG 35 - QD2 LEU 79 OK 25 81 - 31 - 2.9/8737=16, 1.8/11004=6...(6) HB2 PRO 12 - QD2 LEU 79 OK 14 100 - 14 - 1.8/8734=3, ~8732=2...(5) Peak 8737 from aliabs.peaks (0.95, 0.64, 26.93 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.73: QG2 VAL 63 + QD2 LEU 79 OK 37 100 - 37 - 9866=22, 2.1/8735=4...(7) QG2 ILE 91 + QD2 LEU 79 OK 35 92 - 38 - 10079/8579=7, ~9075=7...(10) HG3 ARG 35 + QD2 LEU 79 OK 34 85 - 40 - 8737=24, 2.9/11004=5...(7) Peak 8738 from aliabs.peaks (0.40, 0.64, 26.93 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.72: QD2 LEU 132 + QD2 LEU 79 OK 66 89 - 74 - 8738=33, 10979/2.1=12...(21) HG3 LYS 123 + QD2 LEU 79 OK 18 92 - 19 - 8738=10, 8741/2.1=3...(4) Peak 8739 from aliabs.peaks (0.11, 0.64, 26.93 ppm; 4.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8742 from aliabs.peaks (0.68, 3.13, 67.65 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.88: QD1 ILE 83 + HA VAL 80 OK 75 99 - 76 - 3.1/10027=13...(21) QD2 LEU 66 + HA VAL 80 OK 40 85 - 47 - 9910/3.6=13, 2.1/9983=9...(13) HB3 LEU 116 + HA VAL 80 OK 20 98 - 21 - 3.1/9373=4, 3.2/9376=4...(5) Peak 8743 from aliabs.peaks (0.42, 3.13, 67.65 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 132 + HA VAL 80 OK 91 92 - 99 - 8756/3.2=34, 9573/4.8=28...(31) Peak 8744 from aliabs.peaks (1.30, 3.13, 67.65 ppm; 4.73 A): 4 out of 4 assignments used, quality = 0.92: HG LEU 79 + HA VAL 80 OK 76 96 - 79 - ~6860=19, 2.1/2390=13...(31) QB ALA 104 + HA VAL 80 OK 35 92 - 38 - 8760/3.2=16, 9626/9646=4...(10) HG3 LYS 24 + HA VAL 80 OK 31 100 - 31 - 4.0/8746=7, 8760/3.2=6...(9) HG LEU 87 + HA VAL 80 OK 27 89 - 30 - 11566/8743=7, 2359/4.8=5...(13) Peak 8745 from aliabs.peaks (1.52, 3.13, 67.65 ppm; 3.95 A): 5 out of 7 assignments used, quality = 0.69: QB ALA 135 + HA VAL 80 OK 34 68 - 50 - 9646=15, 8753/3.2=10...(12) HG3 LYS 76 + HA VAL 80 OK 23 89 - 26 - 8753/3.2=6, ~9949=5...(8) HB2 GLU 122 + HA VAL 80 OK 21 98 - 22 - 8753/3.2=8, 11037/8743=4...(5) HB2 LYS 123 + HA VAL 80 OK 12 85 - 14 - 8753/3.2=4, ~8756=2...(6) HG3 PRO 57 + HA VAL 80 OK 11 98 - 11 - 8753/3.2=3, ~8264=1 HG3 LYS 85 - HA VAL 80 lone 8 98 - 8 - 8753/3.2=2, 10015/2412=1 HB2 LEU 29 - HA VAL 80 lone 4 85 - 5 - 8753/3.2=1 Peak 8746 from aliabs.peaks (4.06, 3.13, 67.65 ppm; 5.27 A): 4 out of 5 assignments used, quality = 0.75: HA LEU 26 + HA VAL 80 OK 51 100 - 51 - 10545/3.2=18, ~8759=8...(15) HA LYS 24 + HA VAL 80 OK 31 89 - 35 - 11346/3.6=17, 4.0/8744=6...(7) HA LYS 34 + HA VAL 80 OK 16 72 - 22 - 3.0/9965=11, 8748/3.2=4...(4) HD2 PRO 33 + HA VAL 80 OK 13 92 - 14 - 433/9965=3, 6161/9965=3...(5) HA GLN 25 - HA VAL 80 lone 8 99 - 8 - 8748/3.2=2, ~8875=1, ~10941=1 Peak 8747 from aliabs.peaks (3.84, 0.91, 24.85 ppm; 3.56 A): 4 out of 8 assignments used, quality = 0.94: HB2 SER 127 + QG2 VAL 80 OK 72 100 - 72 - 1.8/9951=29, 9520=18...(11) HA GLN 133 + QG2 VAL 80 OK 50 100 - 51 - 2.8/9957=17, 9617=12...(9) HA ALA 104 + QG2 VAL 80 OK 35 100 - 35 - ~8760=12, 2.1/8754=5...(8) HA LEU 66 + QG2 VAL 80 OK 32 94 - 34 - 4.0/9984=7, 2.8/8380=6...(7) HA MET 68 - QG2 VAL 80 OK 25 62 - 40 - 3.0/2427=5, ~8430=4...(20) HD2 PRO 118 - QG2 VAL 80 OK 20 85 - 24 - 4.6/9955=6, 1.8/8748=5...(7) HB2 SER 100 - QG2 VAL 80 OK 20 72 - 28 - 3.0/8762=10, 4.1/8763=4...(6) HA LYS 36 - QG2 VAL 80 poor 8 62 - 12 - 9790/11064=1, 5.3/2427=1...(4) Peak 8748 from aliabs.peaks (4.07, 0.91, 24.85 ppm; 3.17 A): 3 out of 8 assignments used, quality = 0.78: HA LEU 132 + QG2 VAL 80 OK 59 85 - 69 - 3.8/8756=16, 11616=16...(14) HA LEU 26 + QG2 VAL 80 OK 37 98 - 38 - 10545=11, 3.0/9948=6...(8) HA LYS 34 + QG2 VAL 80 OK 14 94 - 15 - 10865=3, 4.0/9948=3...(5) HA GLU 90 - QG2 VAL 80 poor 9 85 - 11 - 8958=2, 2915/2.1=1 HA LYS 24 - QG2 VAL 80 poor 7 62 - 12 - 11346/4.4=3, 8746/3.2=2...(4) HA GLN 25 - QG2 VAL 80 lone 7 85 - 8 - 4.8/10545=5 HA VAL 53 - QG2 VAL 80 lone 7 72 - 9 - 4503/8756=1 HD2 PRO 33 - QG2 VAL 80 lone 4 68 - 6 - 2.3/8752=1, 8746/3.2=1 Peak 8750 from aliabs.peaks (2.46, 0.91, 24.85 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.89: HG3 GLU 131 + QG2 VAL 80 OK 75 100 - 75 - 9990/2.1=18...(19) HB3 GLU 131 + QG2 VAL 80 OK 50 62 - 80 - 1.8/10405=15, ~10404=13...(24) HG3 GLU 28 + QG2 VAL 80 OK 13 100 - 12 - 9990/2.1=3, 9502/9521=2 Peak 8751 from aliabs.peaks (2.27, 0.91, 24.85 ppm; 4.13 A): 4 out of 9 assignments used, quality = 0.95: HG2 GLU 131 + QG2 VAL 80 OK 72 89 - 81 - 1.8/8750=22, ~9990=14...(17) HG2 GLN 62 + QG2 VAL 80 OK 44 99 - 44 - 2.9/8342=13, ~8759=8...(9) HG3 GLN 62 + QG2 VAL 80 OK 43 98 - 44 - 2.9/8342=13, ~8759=8...(9) HG3 PRO 129 + QG2 VAL 80 OK 42 100 - 42 - 3.8/9952=14, 9532/8764=9...(10) HB3 MET 113 - QG2 VAL 80 OK 30 96 - 32 - 4.2/9332=6, 9324/8756=6...(8) HG2 MET 113 - QG2 VAL 80 OK 20 68 - 29 - 3.3/9332=7, 9576/8756=6...(8) HG3 GLU 142 - QG2 VAL 80 OK 15 89 - 17 - 5.0/9958=4, 4465/8750=2...(8) HG3 GLU 90 - QG2 VAL 80 OK 12 92 - 13 - 3.8/8958=3, 9576/8756=2 HG2 GLU 90 - QG2 VAL 80 poor 10 92 - 10 - 3.8/8958=3, 3725/9332=1 Peak 8752 from aliabs.peaks (2.08, 0.91, 24.85 ppm; 3.83 A): 4 out of 7 assignments used, quality = 0.93: HB2 GLU 131 + QG2 VAL 80 OK 74 89 - 84 - 2.9/8750=16...(22) HB2 LEU 26 + QG2 VAL 80 OK 44 99 - 44 - 3.0/10545=12...(7) HB2 PRO 129 + QG2 VAL 80 OK 31 85 - 36 - 2.3/9952=17, 8759/2.1=6...(5) HB3 LYS 61 + QG2 VAL 80 OK 26 94 - 27 - 1.8/9987=5, 4.6/8763=4...(8) HD2 ARG 49 - QG2 VAL 80 OK 15 98 - 16 - 3.7/9949=5, 3.0/9948=3 HG3 PRO 33 - QG2 VAL 80 OK 12 81 - 14 - ~8746=1, 2.3/8748=1...(4) HA ARG 35 - QG2 VAL 80 OK 11 94 - 12 - 8759/2.1=2, 8100/11064=2 Peak 8753 from aliabs.peaks (1.52, 0.91, 24.85 ppm; 3.20 A): 4 out of 7 assignments used, quality = 0.57: QB ALA 135 + QG2 VAL 80 OK 25 68 - 37 - 9627/2.1=9, 2.9/9956=9...(11) HB2 GLU 122 + QG2 VAL 80 OK 22 98 - 22 - 1.8/9987=5, 3.0/10963=4...(5) HG3 LYS 76 + QG2 VAL 80 OK 17 89 - 19 - 3.0/9949=7, 8745/3.2=4...(4) HB2 LYS 123 + QG2 VAL 80 OK 11 85 - 12 - 3.0/8756=3, 4111/8756=2 HG3 PRO 57 - QG2 VAL 80 lone 8 98 - 8 - 8745/3.2=2, 2.3/8264=1 HG3 LYS 85 - QG2 VAL 80 lone 4 98 - 4 - 8745/3.2=1 HB2 LEU 29 - QG2 VAL 80 lone 4 85 - 4 - Peak 8754 from aliabs.peaks (1.27, 0.91, 24.85 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.88: HB2 LEU 132 + QG2 VAL 80 OK 76 98 - 78 - 3.2/8756=22, 3.2/8755=16...(16) QG2 THR 99 + QG2 VAL 80 OK 29 100 - 29 - 4.0/8763=4, 3.2/9148=4...(9) HB3 LEU 97 + QG2 VAL 80 OK 17 96 - 18 - ~10110=2, 3208=2, 4504/8756=1 HG3 LYS 61 + QG2 VAL 80 OK 17 92 - 18 - 3.0/9987=3, 3.0/8752=3...(5) HG2 LYS 61 - QG2 VAL 80 poor 9 62 - 15 - 3.0/9987=3, 3.0/8752=3...(5) QG2 THR 102 - QG2 VAL 80 lone 7 100 - 7 - Peak 8755 from aliabs.peaks (0.59, 0.91, 24.85 ppm; 2.83 A): 3 out of 3 assignments used, quality = 0.63: QD1 LEU 132 + QG2 VAL 80 OK 44 68 - 65 - 2.1/8756=20, 9600=11...(16) QG1 VAL 71 + QG2 VAL 80 OK 21 96 - 21 - ~8505=2, 4.0/9962=2...(8) QD1 LEU 66 + QG2 VAL 80 OK 17 68 - 25 - 2.1/9984=8, 4.5/8380=2...(7) Peak 8756 from aliabs.peaks (0.41, 0.91, 24.85 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 132 + QG2 VAL 80 OK 85 100 - 85 - 2.1/8755=22, 9596=18...(24) HG3 LYS 123 + QG2 VAL 80 OK 11 57 - 20 - 3.0/8753=3, 4515/8755=2...(8) Peak 8757 from aliabs.peaks (2.74, 0.81, 21.79 ppm; 4.00 A): 4 out of 18 assignments used, quality = 0.54: HB3 TYR 70 + QG1 VAL 80 OK 21 62 - 34 - 3.0/8761=19, 1.8/2420=4...(9) HG3 MET 113 + QG1 VAL 80 OK 19 98 - 20 - ~9332=4, 5.2/9964=4...(8) HE2 LYS 76 + QD2 LEU 126 OK 18 58 - 31 - ~2308=3, ~2297=3...(16) HE2 LYS 76 + QG1 VAL 80 OK 13 72 - 18 - ~9949=7, ~9986=4...(4) HB2 ASN 96 - QG1 VAL 80 lone 10 100 - 10 - 3.0/9083=5, 1.8/2420=1 HG3 MET 113 - QD2 LEU 126 lone 8 84 - 10 - 5.2/9316=2, 9327/2395=2, ~9336=1 HB2 ASN 96 - QD2 LEU 126 lone 7 88 - 8 - 3.0/9083=4, 1.8/10120=1 HB3 ASP 16 - QD2 LEU 126 lone 3 89 - 4 - ~10342=2 HB3 ASP 40 - QG1 VAL 80 lone 3 85 - 4 - ~6277=2 HB3 ASP 16 - QG1 VAL 80 lone 3 100 - 3 - HB3 TYR 70 - QD2 LEU 126 lone 3 49 - 5 - 3.0/8761=3 HB3 ASP 137 - QD2 LEU 126 lone 2 49 - 3 - HB3 PHE 43 - QG1 VAL 80 lone 2 100 - 2 - HB3 ASP 137 - QG1 VAL 80 lone 1 62 - 2 - HB3 PHE 43 - QD2 LEU 126 lone 1 88 - 1 - HB2 ASN 54 - QG1 VAL 80 lone 1 100 - 1 - HB3 ASP 40 - QD2 LEU 126 lone 1 70 - 2 - HB2 ASN 54 - QD2 LEU 126 lone 1 88 - 1 - Peak 8759 from aliabs.peaks (2.07, 0.81, 21.79 ppm; 3.62 A): 0 out of 10 assignments used, low quality = 0.41: HB3 GLN 62 - QG1 VAL 80 OK 25 98 - 25 - ~8342=8, 3.0/9993=4...(8) HB2 LEU 26 - QG1 VAL 80 OK 22 62 - 35 - ~9948=6, ~10545=6...(10) HA ARG 35 - QG1 VAL 80 lone 6 99 - 6 - 6234/9960=4, 8752/2.1=1 HB3 GLN 62 - QD2 LEU 126 lone 4 84 - 5 - 4.6/4306=1, ~9494=1 HB2 PRO 52 - QD2 LEU 126 lone 3 62 - 4 - ~11592=2 HB2 LEU 26 - QD2 LEU 126 lone 2 49 - 5 - ~10961=2 HA ARG 35 - QD2 LEU 126 lone 2 86 - 3 - 6234/9960=2 HG3 PRO 98 - QG1 VAL 80 lone 2 89 - 2 - HB2 PRO 52 - QG1 VAL 80 lone 1 77 - 2 - HG3 PRO 98 - QD2 LEU 126 lone 1 73 - 1 - Peak 8760 from aliabs.peaks (1.29, 0.81, 21.79 ppm; 3.77 A): 0 out of 4 assignments used, low quality = 0.25: QB ALA 104 - QG1 VAL 80 OK 25 100 - 25 - 8754/2.1=5, 9626/9627=3...(9) HG3 LYS 24 - QG1 VAL 80 poor 8 68 - 12 - 8744/3.2=2, ~9948=2...(5) QB ALA 104 - QD2 LEU 126 lone 4 87 - 4 - 9626/9627=1 HG3 LYS 24 - QD2 LEU 126 lone 1 54 - 2 - Peak 8761 from aliabs.peaks (4.33, 0.81, 21.79 ppm; 3.64 A): 0 out of 8 assignments used, low quality = 0.14: HA TYR 70 - QG1 VAL 80 OK 14 62 - 22 - 3.0/8757=4, 8480=3...(10) HA THR 18 - QG1 VAL 80 lone 6 68 - 8 - ~10863=7, ~9962=1 HA ILE 56 - QD2 LEU 126 lone 5 62 - 8 - ~1456=2, ~9495=2...(4) HA PRO 12 - QG1 VAL 80 lone 5 100 - 5 - 10226/10297=1, 69/9996=1 HA ILE 56 - QG1 VAL 80 lone 3 77 - 4 - 8762/2.1=3 HA TYR 70 - QD2 LEU 126 lone 3 49 - 6 - 8480=2, 6771/6782=1 HA PRO 12 - QD2 LEU 126 lone 2 88 - 3 - HA THR 18 - QD2 LEU 126 lone 1 54 - 2 - Peak 8762 from aliabs.peaks (4.31, 0.91, 24.85 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.83: HA SER 100 + QG2 VAL 80 OK 52 96 - 54 - 3.0/9165=15...(10) HA PRO 118 + QG2 VAL 80 OK 28 77 - 36 - 3.6/9956=11, 3.6/8748=5...(9) HA THR 18 + QG2 VAL 80 OK 25 89 - 29 - ~10863=23, 3.0/9962=4 HA ARG 140 + QG2 VAL 80 OK 24 68 - 35 - 3.6/9958=9, 2.9/9738=9...(6) HA ARG 89 + QG2 VAL 80 OK 17 96 - 17 - 4.9/8958=6, 8949/8754=2 Peak 8764 from aliabs.peaks (6.56, 0.91, 24.85 ppm; 3.98 A): 0 out of 1 assignment used, low quality = 0.42: QE TYR 117 - QG2 VAL 80 OK 42 100 - 42 - 9571/8756=12, 10299=11...(9) Peak 8765 from aliabs.peaks (6.64, 0.81, 21.79 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8768 from aliabs.peaks (4.36, 2.15, 35.27 ppm; 4.36 A): 4 out of 6 assignments used, quality = 0.79: HA3 GLY 77 + HG2 GLU 81 OK 60 68 - 88 - 1.8/8769=37, ~8771=27...(14) HA ARG 144 + HG2 GLU 81 OK 23 77 - 30 - 8773/1.8=8, 4877/3.0=3...(13) HA ASP 65 + HG2 GLU 81 OK 22 94 - 23 - 3.6/2461=6, 8773/1.8=5...(5) HB THR 51 + HG2 GLU 81 OK 15 100 - 15 - 8773/1.8=4, 2.1/10985=2...(7) HA TYR 70 - HG2 GLU 81 poor 9 85 - 10 - 4.9/8770=3, 8773/1.8=2...(4) HA ILE 56 - HG2 GLU 81 lone 1 72 - 1 - Peak 8769 from aliabs.peaks (3.51, 2.15, 35.27 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.88: HA2 GLY 77 + HG2 GLU 81 OK 88 94 - 93 - 8771/1.8=40, 9994/3.0=30...(14) HB2 PHE 45 - HG2 GLU 81 lone 5 68 - 7 - 8771/1.8=3, 2344/8768=2 Peak 8770 from aliabs.peaks (2.96, 2.15, 35.27 ppm; 6.35 A): 4 out of 10 assignments used, quality = 0.84: HE2 LYS 85 + HG2 GLU 81 OK 75 81 - 92 - 3.5/8780=34, ~8787=21...(22) HB2 PHE 106 + HG2 GLU 81 OK 18 92 - 19 - 10219/3.7=7, ~3429=5, ~3429=4 HB3 TYR 27 + HG2 GLU 81 OK 12 89 - 14 - ~11175=3, 8901/8781=3...(4) HE2 LYS 93 + HG2 GLU 81 OK 11 85 - 13 - 3.8/8779=3, 2612/8780=2...(5) HE2 LYS 48 - HG2 GLU 81 lone 8 89 - 9 - 8895/8781=2, 2612/8780=2 HB2 ASP 30 - HG2 GLU 81 lone 6 77 - 8 - 8901/8781=3 HE3 LYS 48 - HG2 GLU 81 lone 5 72 - 8 - 2612/8780=2, 2623/8779=1 HB3 PHE 67 - HG2 GLU 81 lone 5 92 - 5 - 8895/8781=1 HB2 TYR 115 - HG2 GLU 81 lone 3 89 - 4 - HB2 HIS 14 - HG2 GLU 81 lone 3 68 - 5 - 8901/8781=2 Peak 8771 from aliabs.peaks (3.51, 2.29, 35.27 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.62: HA2 GLY 77 + HG3 GLU 81 OK 62 68 - 92 - 8769/1.8=37, 9994/3.0=32...(16) Peak 8773 from aliabs.peaks (4.36, 2.29, 35.27 ppm; 4.85 A): 5 out of 6 assignments used, quality = 0.84: HA3 GLY 77 + HG3 GLU 81 OK 64 68 - 95 - 1.8/8771=43, ~8769=32...(15) HA ARG 144 + HG3 GLU 81 OK 26 77 - 34 - 8768/1.8=9, 3.0/2464=3...(14) HA ASP 65 + HG3 GLU 81 OK 21 94 - 22 - 8768/1.8=8, 8385/3.0=5...(5) HB THR 51 + HG3 GLU 81 OK 17 100 - 17 - 8768/1.8=5, ~10985=3...(7) HA TYR 70 + HG3 GLU 81 OK 10 85 - 12 - 8761/9969=5, 8768/1.8=3, ~4692=1 HA ILE 56 - HG3 GLU 81 lone 1 72 - 1 - Peak 8779 from aliabs.peaks (1.53, 2.15, 35.27 ppm; 4.01 A): 6 out of 9 assignments used, quality = 0.92: HG3 LYS 85 + HG2 GLU 81 OK 79 100 - 79 - 1.8/8780=21, ~8787=12...(22) HG3 LYS 76 + HG2 GLU 81 OK 32 99 - 32 - 1.8/11554=7, 3.0/8780=5...(9) HB2 LEU 29 + HG2 GLU 81 OK 16 98 - 16 - 351=3, 1.8/359=2...(6) HD2 LYS 76 + HG2 GLU 81 OK 15 62 - 23 - 1.8/8780=6, 3.0/11554=6...(6) HB2 LYS 123 + HG2 GLU 81 OK 10 62 - 16 - 3.0/2456=3, 9465/8781=2...(6) QB ALA 135 + HG2 GLU 81 OK 10 89 - 11 - 9655=2, 10442/8782=1 HG2 LYS 93 - HG2 GLU 81 poor 9 81 - 12 - 2609/8780=2, 8660/8781=1...(5) HB2 GLU 122 - HG2 GLU 81 lone 8 100 - 8 - 4.0/2461=3, 11037/8782=2 HG3 PRO 57 - HG2 GLU 81 lone 2 85 - 2 - Peak 8780 from aliabs.peaks (1.33, 2.15, 35.27 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.88: HG2 LYS 85 + HG2 GLU 81 OK 85 99 - 86 - 8787/1.8=23, 1.8/8779=21...(21) HG12 ILE 83 + HG2 GLU 81 OK 21 89 - 23 - ~8785=4, 8787/1.8=4...(9) QB ALA 60 - HG2 GLU 81 lone 5 92 - 5 - Peak 8781 from aliabs.peaks (0.71, 2.15, 35.27 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.76: QD2 LEU 87 + HG2 GLU 81 OK 76 99 - 77 - 2.1/8892=17, ~8789=15...(21) QD2 LEU 39 - HG2 GLU 81 lone 6 77 - 8 - 8775/4.9=3 Peak 8782 from aliabs.peaks (0.42, 2.15, 35.27 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.77: QG2 VAL 82 + HG2 GLU 81 OK 61 62 - 97 - 8790/1.8=43, 8783/3.0=37...(21) QD2 LEU 132 + HG2 GLU 81 OK 42 72 - 58 - 8790/1.8=41...(6) Peak 8783 from aliabs.peaks (0.43, 1.74, 29.11 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 82 + HB2 GLU 81 OK 82 89 - 92 - 8790/3.0=29, 6896/4.6=29...(21) QG2 VAL 82 + HD2 LYS 36 OK 20 54 - 37 - 8801/3.6=6, 11010=5...(14) Peak 8784 from aliabs.peaks (0.79, 1.74, 29.11 ppm; 4.48 A): 9 out of 12 assignments used, quality = 0.91: QD1 LEU 79 + HB2 GLU 81 OK 42 96 - 43 - 9934/4.0=7, 9968/3.0=6...(11) QG1 VAL 80 + HB2 GLU 81 OK 38 68 - 57 - 4.2/2441=22, 4.0/8767=20...(9) QD1 LEU 79 + HD2 LYS 36 OK 31 61 - 51 - 8730/3.0=12, 8730/3.0=11...(18) QD2 LEU 126 + HB2 GLU 81 OK 23 68 - 35 - ~9494=8, 9968/3.0=7...(10) QG2 THR 74 + HB2 GLU 81 OK 18 94 - 19 - 9996/3.0=3, 9968/3.0=3...(8) QD2 LEU 72 + HD2 LYS 36 OK 15 67 - 22 - ~10173=3, 2144/1.8=2...(8) QD2 LEU 95 + HB2 GLU 81 OK 13 99 - 13 - 10944/4.6=2, 9996/3.0=2...(6) QG1 VAL 80 + HD2 LYS 36 OK 12 38 - 33 - 4.0/8767=6, 4.2/2441=5...(12) QD2 LEU 72 + HB2 GLU 81 OK 12 100 - 12 - 9996/3.0=4, 8792/4.6=2 QD2 LEU 95 - HD2 LYS 36 lone 5 64 - 8 - 8730/3.0=2, 8730/3.0=2 QG2 THR 74 - HD2 LYS 36 lone 4 59 - 7 - QD2 LEU 126 - HD2 LYS 36 lone 3 38 - 7 - Peak 8785 from aliabs.peaks (0.68, 1.74, 29.11 ppm; 5.58 A): 5 out of 8 assignments used, quality = 0.92: QD2 LEU 66 + HB2 GLU 81 OK 66 96 - 69 - 9910/4.0=30, 1914/4.6=13...(21) QD1 ILE 83 + HB2 GLU 81 OK 47 100 - 47 - 10026/4.0=15...(13) HB3 LEU 116 + HD2 LYS 36 OK 30 54 - 56 - 3.1/10691=12, ~10689=7...(18) QD2 LEU 66 + HD2 LYS 36 OK 27 61 - 45 - ~9865=6, ~721=4...(20) HB3 LEU 116 + HB2 GLU 81 OK 13 89 - 14 - 3.1/10691=5, 8388/8385=2 QD1 ILE 83 - HD2 LYS 36 poor 9 67 - 14 - 10028/8767=3...(4) QD2 LEU 39 - HB2 GLU 81 poor 9 62 - 15 - 8775/4.0=5, 8686/9994=5 QD2 LEU 39 - HD2 LYS 36 poor 6 35 - 18 - ~8115=6, 8118/3.0=3...(4) Peak 8786 from aliabs.peaks (1.55, 2.29, 35.27 ppm; 4.30 A): 4 out of 10 assignments used, quality = 0.82: HD2 LYS 85 + HG3 GLU 81 OK 49 62 - 79 - 3.0/8787=16, ~8780=15...(22) HD2 LYS 76 + HG3 GLU 81 OK 36 94 - 39 - 8779/1.8=7, 8664/8790=6...(10) HB3 LEU 79 + HG3 GLU 81 OK 30 100 - 31 - 3.0/8787=6, 3.1/9996=6...(9) HG2 ARG 109 + HG3 GLU 81 OK 21 81 - 26 - 4.3/2462=4, 2.8/2465=2...(12) QB ALA 135 - HG3 GLU 81 poor 10 72 - 13 - 8779/1.8=3, 9627/9969=2...(4) HG2 LYS 93 - HG3 GLU 81 lone 8 81 - 9 - 8779/1.8=3, 11717/8790=2 HG2 ARG 145 - HG3 GLU 81 lone 2 62 - 4 - HG3 ARG 55 - HG3 GLU 81 lone 2 96 - 2 - HG2 ARG 55 - HG3 GLU 81 lone 2 92 - 2 - HG3 ARG 145 - HG3 GLU 81 lone 2 62 - 3 - Peak 8787 from aliabs.peaks (1.32, 2.29, 35.27 ppm; 5.48 A): 3 out of 5 assignments used, quality = 0.94: HG LEU 87 + HG3 GLU 81 OK 77 92 - 84 - ~8781=33, 2.1/8789=23...(13) HG2 LYS 85 + HG3 GLU 81 OK 56 62 - 90 - 8780/1.8=23, 3.0/8786=22...(24) HG LEU 79 + HG3 GLU 81 OK 39 81 - 48 - 3.0/8786=13, 2.1/9996=11...(10) HG12 ILE 83 - HG3 GLU 81 OK 29 100 - 29 - 8780/1.8=6, ~8785=6...(10) HG3 LYS 24 - HG3 GLU 81 lone 5 68 - 7 - 2813/8789=2, 2805/8789=1 Peak 8789 from aliabs.peaks (0.72, 2.29, 35.27 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 87 + HG3 GLU 81 OK 89 98 - 91 - ~8781=30, 8781/1.8=25...(20) QD2 LEU 87 + HG3 GLU 81 OK 76 94 - 81 - 8781/1.8=26, ~8781=20...(17) Peak 8790 from aliabs.peaks (0.42, 2.29, 35.27 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.37: QD2 LEU 132 - HG3 GLU 81 OK 37 92 - 41 - 8782/1.8=17...(9) Peak 8794 from aliabs.peaks (-1.12, 3.14, 58.71 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.84: QG1 VAL 82 + HA LEU 79 OK 84 100 - 84 - 8794=36, 2.1/2478=20...(14) Peak 8795 from aliabs.peaks (0.11, 1.39, 30.17 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.88: QG1 VAL 73 + HB VAL 82 OK 88 89 - 99 - 8797/2.1=49, 8796/2.1=37...(24) Peak 8796 from aliabs.peaks (0.11, -1.11, 18.38 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.62: QG1 VAL 73 + QG1 VAL 82 OK 62 62 - 99 - 8797/2.1=49...(26) Peak 8797 from aliabs.peaks (0.11, 0.44, 24.59 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.53: QG1 VAL 73 + QG2 VAL 82 OK 53 57 - 93 - 8797=49, 2.1/8594=27...(25) Peak 8798 from aliabs.peaks (0.73, 0.44, 24.59 ppm; 2.87 A): 1 out of 1 assignment used, quality = 0.80: QD1 LEU 87 + QG2 VAL 82 OK 80 89 - 90 - 8882=28, 8883/2.1=17...(36) Peak 8799 from aliabs.peaks (1.08, 0.44, 24.59 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.49: QD2 LEU 26 + QG2 VAL 82 OK 49 100 - 50 - 8799=38, 2.1/8800=5...(7) Peak 8800 from aliabs.peaks (1.19, 0.44, 24.59 ppm; 3.50 A): 4 out of 7 assignments used, quality = 0.95: HB3 LEU 108 + QG2 VAL 82 OK 71 99 - 72 - 8800=24, 3.2/8798=20...(15) QD1 LEU 69 + QG2 VAL 82 OK 45 92 - 49 - 8595/8594=5...(25) HB2 LEU 72 + QG2 VAL 82 OK 44 96 - 46 - 4.4/10001=14, 3.4/9980=5...(17) QD1 LEU 26 + QG2 VAL 82 OK 41 89 - 47 - 2.1/8799=36...(6) HG12 ILE 56 - QG2 VAL 82 OK 17 100 - 17 - 8800=6, 1.8/8800=5...(4) HG13 ILE 56 - QG2 VAL 82 OK 13 77 - 17 - 8800=7, 1.8/8800=5...(4) QG2 THR 18 - QG2 VAL 82 lone 5 99 - 5 - 10865/8802=1 Peak 8801 from aliabs.peaks (1.88, 0.44, 24.59 ppm; 3.44 A): 7 out of 8 assignments used, quality = 0.87: HB3 LYS 85 + QG2 VAL 82 OK 41 85 - 48 - 8801=10, 2592/3.2=8...(12) HB2 LYS 36 + QG2 VAL 82 OK 29 100 - 29 - 8801=10, 3.9/10000=3...(9) HB3 LEU 126 + QG2 VAL 82 OK 24 62 - 38 - 3.1/10339=17, 3.0/8821=6...(9) HB3 LYS 48 + QG2 VAL 82 OK 23 100 - 23 - 8801=8, 1.8/8801=5...(5) HB2 ARG 144 + QG2 VAL 82 OK 23 99 - 23 - 8801=8, 4.0/8804=3...(5) HB2 LYS 48 + QG2 VAL 82 OK 22 94 - 24 - 8801=7, 1.8/8801=6...(5) HB3 LYS 93 + QG2 VAL 82 OK 15 62 - 24 - 8801=5, 2.9/11717=5...(10) HB3 ARG 141 - QG2 VAL 82 lone 2 77 - 2 - Peak 8802 from aliabs.peaks (2.12, 0.44, 24.59 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 73 + QG2 VAL 82 OK 99 100 - 100 - 2.1/8585=48, 2.1/8594=43...(25) HB2 GLU 75 - QG2 VAL 82 OK 41 81 - 51 - 4.4/8823=18, 8802=11...(13) HB VAL 53 - QG2 VAL 82 OK 20 81 - 25 - 2.1/10010=4, ~8809=4...(9) HG2 GLN 111 - QG2 VAL 82 OK 18 89 - 20 - 8802=4, 3.9/8822=3...(8) HG2 PRO 118 - QG2 VAL 82 lone 6 81 - 7 - ~6891=2 Peak 8803 from aliabs.peaks (2.77, 0.44, 24.59 ppm; 3.72 A): 3 out of 8 assignments used, quality = 0.95: HE3 LYS 76 + QG2 VAL 82 OK 76 96 - 79 - 3.0/11718=22...(12) HE2 LYS 76 + QG2 VAL 82 OK 64 81 - 78 - 3.0/11718=22...(12) HE2 LYS 114 + QG2 VAL 82 OK 46 99 - 47 - 1.8/3824=8, 3.0/3791=8...(12) HB3 ASP 40 - QG2 VAL 82 poor 9 68 - 14 - 3.3/9980=3, 8803=2...(5) HB2 PHE 38 - QG2 VAL 82 lone 8 100 - 8 - ~8931=2, ~8826=1, ~8826=1 HB3 ASP 137 - QG2 VAL 82 lone 5 89 - 5 - HB2 ASP 41 - QG2 VAL 82 lone 4 98 - 4 - HB3 TYR 119 - QG2 VAL 82 lone 3 68 - 4 - ~3987=1 Peak 8804 from aliabs.peaks (3.19, 0.44, 24.59 ppm; 3.38 A): 5 out of 7 assignments used, quality = 0.86: HA VAL 73 + QG2 VAL 82 OK 67 72 - 93 - 3.2/8585=28, 8583=26...(26) HA LEU 39 + QG2 VAL 82 OK 25 77 - 32 - 9987=9, 6886/3.2=4...(12) HD3 ARG 144 + QG2 VAL 82 OK 20 100 - 20 - 8804=6, 1.8/8804=5...(6) HD2 ARG 144 + QG2 VAL 82 OK 20 100 - 20 - 8804=6, 1.8/8804=5...(6) HD3 ARG 55 + QG2 VAL 82 OK 10 89 - 11 - 8804=3, 1.8/8804=2...(4) HD2 ARG 55 - QG2 VAL 82 lone 5 68 - 7 - 1.8/8804=3, 8804=1 HD2 ARG 141 - QG2 VAL 82 lone 2 62 - 3 - Peak 8805 from aliabs.peaks (3.17, -1.11, 18.38 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.00: HB2 TRP 17 - QG1 VAL 82 lone 4 99 - 4 - 9987/2.1=2, 8152/8812=2 Peak 8806 from aliabs.peaks (1.91, -1.11, 18.38 ppm; 5.37 A): 3 out of 9 assignments used, quality = 0.95: HB2 LYS 86 + QG1 VAL 82 OK 78 92 - 84 - 4.0/8871=37, 4.6/8877=37...(17) HG13 ILE 83 + QG1 VAL 82 OK 59 62 - 95 - 2.1/10020=46...(14) HB3 LEU 69 + QG1 VAL 82 OK 47 89 - 52 - ~8800=6, ~2493=4...(24) QE MET 68 - QG1 VAL 82 OK 37 100 - 37 - 8451/8824=11...(11) HB2 MET 59 - QG1 VAL 82 OK 27 100 - 27 - 3.0/10007=5, 3.0/10007=5...(8) HB3 ARG 89 - QG1 VAL 82 OK 23 68 - 34 - 4.4/9976=29 HG3 PRO 12 - QG1 VAL 82 OK 19 89 - 21 - 9991=3, 6913/4.4=3...(11) HB ILE 101 - QG1 VAL 82 OK 14 85 - 16 - 3.0/8808=5, 3332/8879=4 HB2 ARG 140 - QG1 VAL 82 poor 9 72 - 12 - ~11567=1, ~11010=1...(4) Peak 8807 from aliabs.peaks (1.58, -1.11, 18.38 ppm; 4.20 A): 5 out of 10 assignments used, quality = 0.94: HG3 ARG 109 + QG1 VAL 82 OK 61 100 - 61 - 4.3/9974=8, 3.0/9986=8...(24) HB2 LEU 126 + QG1 VAL 82 OK 40 92 - 44 - ~10339=17, ~10250=9...(8) HG3 LYS 36 + QG1 VAL 82 OK 39 94 - 41 - 4.6/9975=5, ~8801=4...(19) HG2 ARG 109 + QG1 VAL 82 OK 38 68 - 56 - 4.3/9974=8, 3.0/9986=8...(21) HD3 LYS 85 + QG1 VAL 82 OK 32 100 - 32 - 5.7/10037=13, 8818/2.4=5...(7) HD2 LYS 85 - QG1 VAL 82 OK 29 85 - 33 - 5.7/10037=13...(7) HB2 LEU 66 - QG1 VAL 82 OK 29 98 - 29 - 3.9/2485=8, ~8403=6...(8) HG2 ARG 145 - QG1 VAL 82 OK 13 85 - 15 - 3.0/9986=3, 3.0/9986=3...(4) HG3 ARG 145 - QG1 VAL 82 OK 13 85 - 15 - 3.0/9986=3, 3.0/9986=3...(4) HG3 ARG 124 - QG1 VAL 82 lone 6 94 - 6 - 10677/9941=2 Peak 8808 from aliabs.peaks (1.22, -1.11, 18.38 ppm; 4.05 A): 3 out of 4 assignments used, quality = 0.76: HB3 LEU 87 + QG1 VAL 82 OK 66 68 - 97 - 3.2/8883=32...(22) QG2 THR 107 + QG1 VAL 82 OK 20 96 - 21 - 9246/8810=12, ~8820=2...(4) HG12 ILE 101 + QG1 VAL 82 OK 13 85 - 15 - 2812/8883=3...(6) HD3 LYS 123 - QG1 VAL 82 lone 9 98 - 9 - 4166/11029=3, 2812/8883=1 Peak 8809 from aliabs.peaks (1.05, -1.11, 18.38 ppm; 4.47 A): 6 out of 6 assignments used, quality = 0.93: HG3 LYS 114 + QG1 VAL 82 OK 68 98 - 70 - 3780/2.1=14, 1.8/2489=12...(19) HG13 ILE 91 + QG1 VAL 82 OK 58 62 - 94 - 2.1/11029=48...(12) QG2 THR 110 + QG1 VAL 82 OK 17 98 - 17 - 10175/8810=7...(5) HG2 ARG 35 + QG1 VAL 82 OK 17 94 - 17 - 8799/2.1=3, 11066/9975=2...(6) QD2 LEU 116 + QG1 VAL 82 OK 15 62 - 24 - 10175/8810=4...(9) HB2 LEU 116 + QG1 VAL 82 OK 14 96 - 15 - 3865/10020=2...(6) Peak 8810 from aliabs.peaks (0.73, -1.11, 18.38 ppm; 3.39 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 87 + QG1 VAL 82 OK 95 100 - 96 - 8883=37, 8798/2.1=36...(28) QD2 LEU 87 + QG1 VAL 82 OK 58 62 - 92 - 2.1/8883=29, ~8798=20...(27) Peak 8811 from aliabs.peaks (0.93, -1.11, 18.38 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.97: HB2 LEU 108 + QG1 VAL 82 OK 89 100 - 89 - 3.2/8810=42, ~8800=24...(25) QG2 ILE 91 + QG1 VAL 82 OK 59 62 - 94 - 3.3/11029=42...(19) HB2 LEU 64 + QG1 VAL 82 OK 44 77 - 57 - 3.0/8826=11, 1.8/8881=10...(18) QG1 VAL 63 - QG1 VAL 82 OK 29 100 - 29 - 10010/2.1=5, 3503/8810=4...(10) QG1 VAL 53 - QG1 VAL 82 OK 29 96 - 30 - 2.1/8809=6, 10010/2.1=4...(11) QD2 LEU 29 - QG1 VAL 82 OK 24 94 - 26 - 10010/2.1=7, 8074/9942=4...(8) Peak 8812 from aliabs.peaks (0.31, -1.11, 18.38 ppm; 3.59 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8813 from aliabs.peaks (0.30, 0.44, 24.59 ppm; 3.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8814 from aliabs.peaks (0.76, 1.39, 30.17 ppm; 4.74 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 108 + HB VAL 82 OK 91 100 - 92 - 8810/2.1=48, 8815/3.0=44...(12) QD1 LEU 108 + HB VAL 82 OK 85 100 - 86 - ~8810=36, ~8815=29...(13) QG2 VAL 73 + HB VAL 82 OK 81 81 - 100 - 2.1/8795=39, ~8585=37...(21) QD1 LEU 72 - HB VAL 82 OK 29 92 - 32 - 2.1/8814=6, ~8800=5...(9) QD1 ILE 136 - HB VAL 82 OK 18 68 - 26 - 10454/4.5=6, 8792/4.0=4...(7) Peak 8815 from aliabs.peaks (0.73, 2.99, 66.39 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 87 + HA VAL 82 OK 91 100 - 92 - 8883/2.4=27, 8798/3.2=26...(28) QD2 LEU 87 + HA VAL 82 OK 55 62 - 89 - ~8883=15, ~8883=15...(28) Peak 8816 from aliabs.peaks (1.28, 2.99, 66.39 ppm; 4.04 A): 0 out of 4 assignments used, low quality = 0.24: HB2 LEU 132 - HA VAL 82 OK 24 72 - 34 - 3.0/2471=6, ~4490=3...(17) QG2 THR 99 - HA VAL 82 lone 5 85 - 5 - 8817/2.9=2, 10118/4.8=2 HB3 LEU 97 - HA VAL 82 lone 3 68 - 5 - 10946/4.9=2, 8817/2.9=2 QG2 THR 102 - HA VAL 82 lone 1 89 - 1 - Peak 8818 from aliabs.peaks (1.57, 2.99, 66.39 ppm; 4.29 A): 5 out of 12 assignments used, quality = 0.96: HG2 ARG 109 + HA VAL 82 OK 51 92 - 56 - 2.8/2476=7, ~8807=6...(25) HG3 ARG 109 + HA VAL 82 OK 51 92 - 56 - 8807/2.4=9, 2.8/2476=7...(25) HD2 LYS 85 + HA VAL 82 OK 49 99 - 49 - 3.6/2580=16, 3.6/2592=15...(9) HD3 LYS 85 + HA VAL 82 OK 47 99 - 48 - 3.6/2580=16, 3.6/2592=15...(9) HB2 LEU 66 + HA VAL 82 OK 43 81 - 53 - 3.1/8403=9, ~1906=7...(16) HB2 LEU 126 - HA VAL 82 OK 40 100 - 40 - ~10339=13, ~10250=7...(8) HG3 LYS 36 - HA VAL 82 OK 28 72 - 38 - 8807/2.4=4, 1.8/2471=3...(21) HG2 ARG 145 - HA VAL 82 OK 13 99 - 13 - 8807/2.4=2, ~9986=2...(5) HG3 ARG 145 - HA VAL 82 OK 13 99 - 13 - 8807/2.4=2, ~9986=2...(5) HG2 ARG 55 - HA VAL 82 lone 6 81 - 7 - 9995/3.6=2, 10611/6921=2...(4) HG3 ARG 55 - HA VAL 82 lone 5 72 - 7 - 9995/3.6=1, 10611/6921=1...(4) HG3 ARG 124 - HA VAL 82 lone 2 72 - 3 - Peak 8819 from aliabs.peaks (3.67, 0.44, 24.59 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 83 + QG2 VAL 82 OK 99 100 - 99 - 9988/2.1=48, 2.9/6908=44...(25) HA THR 92 + QG2 VAL 82 OK 50 89 - 56 - 8824/2.1=15, 6909/4.4=9...(17) Peak 8820 from aliabs.peaks (4.03, 0.44, 24.59 ppm; 4.37 A): 1 out of 5 assignments used, quality = 0.96: HA GLU 81 + QG2 VAL 82 OK 96 100 - 96 - 3.6/6896=39, 2.9/8776=33...(22) HA GLU 37 - QG2 VAL 82 OK 33 100 - 33 - ~9998=11, 8820=7...(8) HA LYS 123 - QG2 VAL 82 OK 32 100 - 32 - 8820=5, 3.0/8655=5...(11) HA VAL 63 - QG2 VAL 82 OK 28 96 - 30 - 8820=7, 3.2/10010=4...(9) HB THR 107 - QG2 VAL 82 OK 22 100 - 22 - ~8808=5, 9244/8798=5...(6) Peak 8821 from aliabs.peaks (4.15, 0.44, 24.59 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.92: HA LYS 76 + QG2 VAL 82 OK 84 94 - 89 - 8653=30, 2.9/8655=23...(19) HA LEU 126 + QG2 VAL 82 OK 50 100 - 50 - 4.0/10339=19, 8821=10...(18) HB3 SER 44 - QG2 VAL 82 OK 13 85 - 15 - 8821=2, 1.8/8821=2...(7) HB2 SER 44 - QG2 VAL 82 OK 12 81 - 15 - 8821=2, 1.8/8821=2...(7) HA GLU 131 - QG2 VAL 82 OK 12 98 - 12 - 8821=2, 4.2/10008=2, 4439/8655=1 HA3 GLY 125 - QG2 VAL 82 OK 10 98 - 11 - 8821=2, 4299/10339=2 HA GLU 120 - QG2 VAL 82 poor 8 62 - 12 - 8903/8882=2, 3.8/10008=2, 8821=2 Peak 8822 from aliabs.peaks (4.64, 0.44, 24.59 ppm; 4.52 A): 1 out of 7 assignments used, quality = 0.97: HA LEU 87 + QG2 VAL 82 OK 97 98 - 99 - 3.0/8876=37, 4.0/8798=37...(22) HA ASN 139 - QG2 VAL 82 OK 30 96 - 31 - 4.5/2496=8, 8827/2.1=5...(11) HA ASP 32 - QG2 VAL 82 OK 19 100 - 19 - 8827/2.1=4, ~11169=2...(7) HA PRO 129 - QG2 VAL 82 OK 16 81 - 20 - 3.8/10008=3...(9) HA GLN 62 - QG2 VAL 82 OK 13 99 - 13 - 8827/2.1=2, 3.9/10008=2...(5) HA ARG 124 - QG2 VAL 82 OK 11 68 - 16 - 10342/10339=6, 10054=2...(4) HA ASP 16 - QG2 VAL 82 lone 2 72 - 2 - Peak 8823 from aliabs.peaks (6.79, 0.44, 24.59 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8824 from aliabs.peaks (3.67, -1.11, 18.38 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.99: HA ILE 83 + QG1 VAL 82 OK 99 100 - 99 - 9988=47, 2.9/6907=43...(24) HA THR 92 + QG1 VAL 82 OK 50 89 - 57 - 4.9/11061=14...(18) Peak 8825 from aliabs.peaks (3.96, -1.11, 18.38 ppm; 5.36 A): 5 out of 8 assignments used, quality = 0.84: HA LYS 86 + QG1 VAL 82 OK 58 68 - 85 - 3.0/8871=43, 3.6/8877=43...(14) HA PHE 106 + QG1 VAL 82 OK 25 94 - 27 - 3428/2.1=6, 3.0/9986=4...(9) HA LYS 48 + QG1 VAL 82 OK 22 100 - 22 - ~8801=5, ~8801=4...(7) HD3 PRO 129 + QG1 VAL 82 OK 21 62 - 34 - 4.8/2486=7, ~10275=6...(10) HA3 GLY 94 + QG1 VAL 82 OK 18 99 - 18 - 3118/11024=4...(5) HA ALA 60 - QG1 VAL 82 lone 9 99 - 9 - 8316/8808=2, 8915/8830=2 HB3 SER 103 - QG1 VAL 82 lone 6 100 - 6 - 11618/11029=1 HA3 GLY 143 - QG1 VAL 82 lone 5 100 - 5 - 10033/9988=1 Peak 8826 from aliabs.peaks (4.18, -1.11, 18.38 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.93: HA TRP 88 + QG1 VAL 82 OK 82 98 - 84 - 8931=37, 6.4/8830=14...(22) HA LEU 64 + QG1 VAL 82 OK 53 100 - 53 - 9266/8810=9, 3.0/8881=8...(17) HA PHE 38 + QG1 VAL 82 OK 12 72 - 16 - 8931=3, 8976/11026=2...(5) HA CYS 121 - QG1 VAL 82 lone 9 94 - 10 - 3.6/2485=4, 4.9/8931=1 Peak 8827 from aliabs.peaks (4.64, -1.11, 18.38 ppm; 4.96 A): 1 out of 7 assignments used, quality = 0.97: HA LEU 87 + QG1 VAL 82 OK 97 98 - 99 - 3.0/8877=44, 3.0/8879=39...(23) HA ASN 139 - QG1 VAL 82 OK 30 96 - 31 - 4.5/2490=9...(9) HA ASP 32 - QG1 VAL 82 OK 20 100 - 20 - 8822/2.1=4, ~8087=3...(7) HA PRO 129 - QG1 VAL 82 OK 15 81 - 18 - 8822/2.1=4, 3.6/8825=4...(7) HA GLN 62 - QG1 VAL 82 OK 13 99 - 13 - 8822/2.1=3, 2810/8883=2...(4) HA ARG 124 - QG1 VAL 82 poor 8 68 - 11 - 8822/2.1=2 HA ASP 16 - QG1 VAL 82 lone 1 72 - 1 - Peak 8828 from aliabs.peaks (6.83, -1.11, 18.38 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.98: HZ2 TRP 88 + QG1 VAL 82 OK 93 96 - 96 - 2.5/9985=50, 2.8/8830=49...(18) H LYS 76 + QG1 VAL 82 OK 70 72 - 96 - ~8653=42, ~8653=41...(13) QD PHE 67 - QG1 VAL 82 OK 31 96 - 32 - 4637/9985=6, 3.7/8826=5...(10) Peak 8834 from aliabs.peaks (6.83, 3.67, 64.81 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: HZ2 TRP 88 + HA ILE 83 OK 99 100 - 99 - 2.8/8832=50, ~8836=39...(22) QD PHE 67 - HA ILE 83 OK 36 100 - 36 - 8414/8451=9, 10039/4.2=9...(8) Peak 8852 from aliabs.peaks (0.80, 2.72, 37.77 ppm; 5.57 A): 3 out of 6 assignments used, quality = 0.86: QG1 VAL 80 + HB2 ASN 84 OK 74 100 - 74 - 8765/3.5=41, 8766/3.5=33...(6) QD2 LEU 95 + HB2 ASN 84 OK 38 92 - 41 - ~10045=18, 3.1/8850=7...(7) QD2 LEU 126 + HB2 ASN 84 OK 16 100 - 16 - 8765/3.5=4, 8766/3.5=3...(5) QD1 LEU 79 - HB2 ASN 84 lone 9 96 - 10 - 9627/10538=2...(3) QD2 LEU 72 - HB2 ASN 84 lone 7 68 - 10 - 5.0/2560=4, 2141/4.7=3 QG2 THR 74 - HB2 ASN 84 lone 5 98 - 5 - Peak 8853 from aliabs.peaks (1.71, 4.43, 55.60 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.95: HB2 LYS 85 + HA ASN 84 OK 75 89 - 85 - 4.6/8839=42, 3.9/6953=34...(11) HB3 LEU 95 + HA ASN 84 OK 62 94 - 66 - ~10045=18, 10094/4.8=15...(13) HD2 LYS 86 + HA ASN 84 OK 47 89 - 53 - 6.3/8839=33, 6959/3.6=9...(6) HD2 LYS 93 - HA ASN 84 OK 25 100 - 25 - 10345/10349=4, ~8856=4...(9) HB3 ARG 109 - HA ASN 84 poor 8 77 - 10 - 1.8/8854=3, 8850/3.0=1 HG3 ARG 89 - HA ASN 84 lone 3 62 - 5 - 10362/10357=2 Peak 8854 from aliabs.peaks (1.37, 4.43, 55.60 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.83: HB3 LEU 39 + HA ASN 84 OK 43 99 - 44 - 4.3/2552=10, ~6918=8...(9) HD3 LYS 76 + HA ASN 84 OK 34 77 - 44 - 8846/4.5=9, 3.0/10042=8...(10) HG LEU 132 + HA ASN 84 OK 32 98 - 33 - ~8857=13, 10013/4.8=7...(6) HB3 ARG 49 + HA ASN 84 OK 26 92 - 29 - 11586/8855=9, 8846/4.5=8...(5) HB2 LEU 69 + HA ASN 84 OK 11 81 - 13 - 10013/4.8=5, ~6927=2...(4) Peak 8855 from aliabs.peaks (0.84, 4.43, 55.60 ppm; 3.85 A): 0 out of 1 assignment used, low quality = 0.20: QD2 LEU 97 - HA ASN 84 OK 20 98 - 20 - 10045/3.0=8, 9124/4.8=6 Peak 8860 from aliabs.peaks (0.72, 4.23, 55.53 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 87 + HA LYS 85 OK 88 100 - 88 - 10064=22, 2.1/8904=19...(21) QD2 LEU 87 + HA LYS 85 OK 73 85 - 86 - 8904=19, 2.1/10064=18...(20) Peak 8861 from aliabs.peaks (2.19, 4.23, 55.53 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.92: HB3 LYS 86 + HA LYS 85 OK 88 100 - 88 - 4.0/6970=30, ~8867=25...(16) HB3 PRO 57 + HA LYS 85 OK 37 96 - 38 - 10587/3.0=14, 6981/3.6=7...(10) HG2 PRO 129 - HA LYS 85 OK 21 85 - 25 - 6981/3.6=15, 8863/3.0=6 HB2 MET 46 - HA LYS 85 OK 12 92 - 13 - ~6954=3, 4.0/6379=3...(4) HB2 MET 113 - HA LYS 85 OK 11 96 - 12 - 3.0/8862=6, 6981/3.6=1 HB2 GLN 25 - HA LYS 85 lone 7 89 - 8 - 8863/3.0=2, 6981/3.6=2 Peak 8864 from aliabs.peaks (2.75, 1.53, 25.93 ppm; 6.80 A): 2 out of 11 assignments used, quality = 0.97: HE2 LYS 76 + HG3 LYS 85 OK 83 100 - 83 - 5.1/2618=9, ~2269=8...(40) HE3 LYS 76 + HG3 LYS 85 OK 81 98 - 83 - 5.1/2618=9, ~2269=8...(39) HB3 ASP 40 - HG3 LYS 85 OK 43 100 - 43 - 3.3/2615=6, ~2604=5...(14) HG3 MET 113 - HG3 LYS 85 OK 19 92 - 21 - 8862/4.0=3, ~9336=3...(7) HB2 ASN 54 - HG3 LYS 85 OK 18 77 - 23 - 3.5/10046=7, ~10045=5...(6) HB2 ASN 96 - HG3 LYS 85 OK 14 77 - 18 - 8862/4.0=7, ~9077=4...(4) HE2 LYS 114 - HG3 LYS 85 OK 10 94 - 11 - HB3 ASP 137 - HG3 LYS 85 lone 10 100 - 10 - 8862/4.0=3 HB2 PHE 38 - HG3 LYS 85 lone 7 85 - 8 - 6954/5.1=2 HB3 PHE 43 - HG3 LYS 85 lone 6 81 - 7 - 8862/4.0=2 HB3 ASP 16 - HG3 LYS 85 lone 2 72 - 3 - Peak 8873 from aliabs.peaks (0.72, 3.95, 57.01 ppm; 6.25 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 87 + HA LYS 86 OK 83 100 - 83 - 2809/3.6=32, 8870/3.0=24...(13) QD2 LEU 87 + HA LYS 86 OK 70 85 - 82 - 4.8/6991=28, 8870/3.0=24...(11) Peak 8875 from aliabs.peaks (0.91, 2.19, 28.31 ppm; 5.05 A): 4 out of 6 assignments used, quality = 0.65: QD2 LEU 29 + HB2 GLN 25 OK 33 40 - 83 - 10532/2.9=22, ~9778=18...(21) QD2 LEU 29 + HB3 LYS 86 OK 33 77 - 42 - ~380=6, ~380=5, ~364=5...(12) QG2 VAL 80 + HB3 LYS 86 OK 13 96 - 14 - 8756/10301=3...(3) HB2 LEU 64 + HB2 GLN 25 OK 11 53 - 21 - 10867/4.6=3, 10937/2.9=3...(9) QG2 VAL 80 - HB2 GLN 25 lone 5 55 - 10 - 8748/2.9=2, 9952/4370=2...(4) HB2 LEU 64 - HB3 LYS 86 lone 5 94 - 5 - ~10625=1 Peak 8878 from aliabs.peaks (0.42, 1.24, 42.12 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.49: QD2 LEU 132 + HB3 LEU 87 OK 49 85 - 57 - 8882/3.2=43...(6) Peak 8879 from aliabs.peaks (-1.12, 1.24, 42.12 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.91: QG1 VAL 82 + HB3 LEU 87 OK 91 92 - 100 - 2.1/8878=40, 8883/3.2=39...(25) Peak 8880 from aliabs.peaks (0.43, 1.62, 42.12 ppm; 4.79 A): 1 out of 4 assignments used, quality = 0.98: QG2 VAL 82 + HB2 LEU 87 OK 98 98 - 100 - 8798/3.2=45, 8878/1.8=41...(27) QG2 VAL 82 - HB3 LEU 64 OK 36 66 - 55 - 2.1/8881=11, 10010/1.8=9...(17) HG2 LYS 114 - HB2 LEU 87 OK 26 62 - 42 - 10054/3.0=10, ~3753=5...(16) HG2 LYS 114 - HB3 LEU 64 lone 2 36 - 6 - ~10623=2, 2489/8881=1 Peak 8881 from aliabs.peaks (-1.11, 1.62, 42.12 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 82 + HB2 LEU 87 OK 99 100 - 99 - 8879/1.8=42, 8883/3.2=38...(28) QG1 VAL 82 - HB3 LEU 64 OK 36 68 - 53 - 8826/3.0=11, 8811/1.8=9...(18) Peak 8882 from aliabs.peaks (0.42, 0.72, 25.72 ppm; 3.32 A): 0 out of 1 assignment used, low quality = 0.31: QD2 LEU 132 - QD1 LEU 87 OK 31 85 - 36 - 8878/3.2=15, 10979/2.1=7...(7) Peak 8883 from aliabs.peaks (-1.12, 0.72, 25.72 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 82 + QD1 LEU 87 OK 90 92 - 98 - 8883=46, 2.1/8882=40...(28) Peak 8886 from aliabs.peaks (2.98, 1.62, 42.12 ppm; 4.52 A): 6 out of 10 assignments used, quality = 0.95: HA VAL 82 + HB2 LEU 87 OK 81 81 - 100 - 2.4/8881=27, ~8879=27...(31) HA VAL 71 + HB3 LEU 64 OK 38 70 - 54 - ~10593=10, 8503/3.0=9...(14) HA VAL 71 + HB2 LEU 87 OK 29 100 - 30 - 8901/3.1=12, 8889/1.8=8...(6) HA VAL 82 + HB3 LEU 64 OK 22 50 - 43 - 2.4/8881=9, 3.2/8880=7...(13) HB3 TYR 27 + HB2 LEU 87 OK 11 81 - 13 - 8901/3.1=6, 8889/1.8=3 HB2 ASP 30 + HB2 LEU 87 OK 10 92 - 11 - 8901/3.1=5, 8889/1.8=3 HB2 HIS 14 - HB2 LEU 87 lone 9 96 - 10 - 8901/3.1=4, 8889/1.8=2 HB3 TYR 27 - HB3 LEU 64 lone 2 50 - 4 - ~9884=1 HB2 ASP 30 - HB3 LEU 64 lone 1 59 - 2 - HB2 HIS 14 - HB3 LEU 64 lone 1 64 - 2 - Peak 8889 from aliabs.peaks (2.97, 1.24, 42.12 ppm; 6.19 A): 4 out of 4 assignments used, quality = 0.62: HA VAL 71 + HB3 LEU 87 OK 32 85 - 38 - 8901/3.1=22, 8895/3.2=7...(6) HB3 TYR 27 + HB3 LEU 87 OK 19 100 - 19 - 8901/3.1=10, 8895/3.2=4...(5) HB2 ASP 30 + HB3 LEU 87 OK 19 100 - 18 - 8901/3.1=10, 8895/3.2=4...(5) HB2 HIS 14 + HB3 LEU 87 OK 13 99 - 13 - 8901/3.1=8, 8895/3.2=2 Peak 8890 from aliabs.peaks (1.55, 0.72, 25.72 ppm; 3.01 A): 3 out of 9 assignments used, quality = 0.95: HD2 LYS 76 + QD1 LEU 87 OK 76 99 - 77 - 1.8/8665=15, ~8665=14...(19) HB3 LEU 79 + QD1 LEU 87 OK 62 100 - 62 - 8890=34, 3.0/2813=6...(23) HG3 LYS 76 + QD1 LEU 87 OK 44 62 - 71 - 3.0/8665=11, 3.0/8654=9...(24) HG2 LYS 93 - QD1 LEU 87 OK 22 92 - 24 - 4.0/10064=3, 8660=3...(8) HG3 ARG 55 - QD1 LEU 87 lone 7 89 - 8 - 8890=3, 1.8/8890=3, 9861/8665=1 HG2 ARG 109 - QD1 LEU 87 poor 7 68 - 11 - 8890=4, 4.3/11402=2, 2.8/10061=1 QB ALA 135 - QD1 LEU 87 lone 7 85 - 8 - 10442/8882=2 HG2 ARG 55 - QD1 LEU 87 lone 6 81 - 8 - 1.8/8890=3, 8890=2, 9861/8665=1 HB2 LEU 29 - QD1 LEU 87 lone 4 68 - 6 - Peak 8891 from aliabs.peaks (1.86, 0.72, 25.72 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.97: HB3 LYS 85 + QD1 LEU 87 OK 87 100 - 87 - 10039=18, 1.8/10046=16...(25) HB3 LYS 76 + QD1 LEU 87 OK 76 98 - 78 - 3.0/8660=15, 1.8/8654=14...(23) HB2 LYS 48 - QD1 LEU 87 OK 43 98 - 44 - 8891=7, 1.8/10091=6...(16) HB3 LYS 48 - QD1 LEU 87 OK 33 81 - 41 - 8891=6, 1.8/8891=5...(14) HB3 LEU 126 - QD1 LEU 87 OK 29 100 - 29 - 11673/4.4=5, 8897/2.1=4...(8) HB2 ARG 144 - QD1 LEU 87 OK 17 92 - 18 - 1.8/10061=3, 8891=3...(5) HB3 GLU 28 - QD1 LEU 87 OK 12 96 - 12 - ~10862=2, ~10543=2...(5) HG LEU 69 - QD1 LEU 87 OK 10 99 - 10 - 8891=2 HB2 LYS 36 - QD1 LEU 87 lone 6 81 - 8 - 8801/8882=1, 8891=1 Peak 8892 from aliabs.peaks (2.13, 0.72, 25.72 ppm; 4.63 A): 4 out of 7 assignments used, quality = 0.61: HB2 GLU 75 + QD1 LEU 87 OK 35 96 - 37 - 3.0/8642=16, 8892=5...(11) HG2 GLN 111 + QD1 LEU 87 OK 24 92 - 27 - 4.7/8907=8, 8892=7...(5) HB2 GLN 133 + QD1 LEU 87 OK 11 94 - 12 - 8892=3, 1.8/8892=3 HB3 GLN 133 + QD1 LEU 87 OK 11 92 - 12 - 8892=3, 1.8/8892=3 HB VAL 73 - QD1 LEU 87 lone 5 62 - 8 - 8802/8882=5, 2233/8642=2 HB VAL 53 - QD1 LEU 87 lone 5 96 - 5 - 10627/11402=2, 10627/11402=1 HG3 PRO 118 - QD1 LEU 87 lone 5 89 - 5 - 8892=1 Peak 8893 from aliabs.peaks (2.29, 0.72, 25.72 ppm; 4.32 A): 3 out of 6 assignments used, quality = 0.95: HG3 GLU 81 + QD1 LEU 87 OK 84 99 - 85 - 1.8/8781=22, ~8781=21...(21) HG3 GLU 75 + QD1 LEU 87 OK 47 100 - 47 - 8642=21, 3.0/8892=10...(9) HG3 GLU 120 + QD1 LEU 87 OK 40 100 - 40 - 8642=13, 1.8/8642=8...(11) HG2 GLU 120 - QD1 LEU 87 OK 36 96 - 38 - 1.8/8642=11, 8642=9...(10) HG2 GLU 131 - QD1 LEU 87 lone 5 62 - 8 - HG3 GLU 142 - QD1 LEU 87 lone 3 62 - 5 - Peak 8894 from aliabs.peaks (2.75, 0.72, 25.72 ppm; 3.97 A): 2 out of 11 assignments used, quality = 0.99: HE2 LYS 76 + QD1 LEU 87 OK 89 100 - 89 - 1.8/11058=18, ~8665=18...(21) HE3 LYS 76 + QD1 LEU 87 OK 87 98 - 89 - 11058=20, ~8665=18...(21) HG3 MET 113 - QD1 LEU 87 OK 25 92 - 27 - 9328/8882=8, 8894=4...(7) HE2 LYS 114 - QD1 LEU 87 OK 17 94 - 18 - 11058=3, 4.9/11145=3...(7) HB3 PHE 43 - QD1 LEU 87 OK 15 81 - 18 - ~10827=5, 2.7/11402=4...(5) HB3 ASP 40 - QD1 LEU 87 lone 9 100 - 9 - ~8906=2, 8894=1 HB2 PHE 38 - QD1 LEU 87 lone 7 85 - 8 - 3.0/8903=1 HB3 ASP 137 - QD1 LEU 87 lone 6 100 - 6 - HB2 ASN 96 - QD1 LEU 87 lone 4 77 - 5 - HB2 ASN 54 - QD1 LEU 87 lone 3 77 - 3 - HB3 ASP 16 - QD1 LEU 87 lone 1 72 - 2 - Peak 8895 from aliabs.peaks (2.96, 0.72, 25.72 ppm; 3.64 A): 7 out of 9 assignments used, quality = 0.81: HE2 LYS 85 + QD1 LEU 87 OK 50 62 - 80 - 8895=16, 2.9/10051=15...(20) HE2 LYS 48 + QD1 LEU 87 OK 23 72 - 32 - 8895=7, 3.6/11145=5...(8) HB3 PHE 67 + QD1 LEU 87 OK 16 77 - 20 - 3.0/8413=8, ~8413=5...(4) HE2 LYS 93 + QD1 LEU 87 OK 15 68 - 23 - 3.8/8660=5, 8895=5...(5) HB3 TYR 27 + QD1 LEU 87 OK 14 98 - 14 - 8901/2.1=6, 8895=4, 8889/3.2=2 HB2 ASP 30 + QD1 LEU 87 OK 12 92 - 12 - 8901/2.1=6, 8895=2, 8889/3.2=2 HB2 TYR 115 + QD1 LEU 87 OK 11 72 - 15 - 4.0/2809=6, 8895=3...(4) HB2 HIS 14 - QD1 LEU 87 lone 7 85 - 8 - 8901/2.1=5, 8889/3.2=1 HB2 PHE 106 - QD1 LEU 87 lone 2 77 - 3 - Peak 8897 from aliabs.peaks (1.85, 0.71, 22.08 ppm; 3.31 A): 3 out of 5 assignments used, quality = 0.75: HB3 LYS 76 + QD2 LEU 87 OK 62 81 - 76 - 3.5/8665=19, 3.5/8662=12...(21) HB2 LYS 93 + QD2 LEU 87 OK 26 98 - 27 - 3.0/8904=4, ~8660=3...(10) HB3 LEU 126 + QD2 LEU 87 OK 13 72 - 18 - 11673/4.8=3, 3.0/11408=2...(7) HB3 GLU 28 - QD2 LEU 87 poor 9 85 - 10 - ~10862=2, ~10543=2, ~10542=1 HG LEU 69 - QD2 LEU 87 lone 5 77 - 7 - 2309/8665=2 Peak 8898 from aliabs.peaks (2.02, 0.71, 22.08 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.79: HB2 GLU 90 + QD2 LEU 87 OK 70 94 - 75 - 10076/2.1=17...(21) HB3 LYS 34 + QD2 LEU 87 OK 28 94 - 30 - 10799/4.1=5, ~498=3...(15) HG3 GLU 122 - QD2 LEU 87 lone 5 81 - 7 - ~9458=3 HB3 GLU 37 - QD2 LEU 87 lone 5 100 - 5 - HB2 GLU 37 - QD2 LEU 87 lone 5 100 - 5 - HB2 PRO 33 - QD2 LEU 87 lone 3 62 - 5 - 10799/4.1=1, ~10995=1 Peak 8899 from aliabs.peaks (2.28, 0.71, 22.08 ppm; 3.39 A): 6 out of 9 assignments used, quality = 0.86: HG2 GLU 90 + QD2 LEU 87 OK 63 98 - 64 - 1.8/9807=18, 3.0/8898=16...(18) HG3 GLU 81 + QD2 LEU 87 OK 28 62 - 45 - 1.8/8781=16, ~8781=9...(11) HG2 GLU 120 + QD2 LEU 87 OK 18 98 - 18 - ~8642=5, 8642/2.1=4...(4) HG3 GLU 75 + QD2 LEU 87 OK 16 81 - 20 - 8642/2.1=9, ~8892=4...(4) HG3 GLU 120 + QD2 LEU 87 OK 15 81 - 19 - 8642/2.1=6, ~8642=4...(5) HB3 MET 113 + QD2 LEU 87 OK 12 94 - 12 - 2921/8898=3, 3702/9807=3...(5) HG3 PRO 129 - QD2 LEU 87 lone 5 62 - 7 - 3.8/2802=1 HG2 GLU 131 - QD2 LEU 87 lone 4 99 - 4 - HG3 GLU 142 - QD2 LEU 87 lone 2 99 - 2 - Peak 8900 from aliabs.peaks (2.77, 0.71, 22.08 ppm; 3.68 A): 3 out of 8 assignments used, quality = 0.93: HE3 LYS 76 + QD2 LEU 87 OK 77 96 - 80 - 3.0/8665=28...(17) HE2 LYS 76 + QD2 LEU 87 OK 65 81 - 79 - 3.0/8665=28, 3.0/8662=17...(17) HE2 LYS 114 + QD2 LEU 87 OK 14 99 - 14 - 11058/2.1=3, 4.9/11146=2...(5) HB2 PHE 38 - QD2 LEU 87 lone 6 100 - 6 - HB3 ASP 40 - QD2 LEU 87 lone 4 68 - 6 - 3.3/8906=3 HB3 ASP 137 - QD2 LEU 87 lone 4 89 - 4 - HB2 ASP 41 - QD2 LEU 87 lone 3 98 - 3 - HB3 TYR 119 - QD2 LEU 87 lone 2 68 - 3 - Peak 8901 from aliabs.peaks (2.97, 0.71, 22.08 ppm; 3.71 A): 0 out of 4 assignments used, low quality = 0.18: HA VAL 71 - QD2 LEU 87 OK 18 85 - 21 - 3.6/8906=6, 8895/2.1=5...(6) HB3 TYR 27 - QD2 LEU 87 lone 9 100 - 9 - 8895/2.1=3, 8889/3.1=2 HB2 ASP 30 - QD2 LEU 87 lone 8 100 - 8 - 8895/2.1=3, 8889/3.1=2 HB2 HIS 14 - QD2 LEU 87 lone 6 99 - 6 - 8889/3.1=2, 8895/2.1=1 Peak 8903 from aliabs.peaks (4.16, 0.72, 25.72 ppm; 4.10 A): 3 out of 9 assignments used, quality = 0.91: HA LYS 76 + QD1 LEU 87 OK 79 92 - 87 - 2.9/8654=18, 8652/2.1=18...(26) HA GLU 120 + QD1 LEU 87 OK 40 100 - 39 - 3.6/8907=11, 3.8/8642=7...(9) HA LEU 64 + QD1 LEU 87 OK 30 62 - 48 - 3.0/2783=6, ~2803=3...(23) HA LEU 126 - QD1 LEU 87 OK 21 62 - 33 - 8903=6, 3.0/8891=3...(13) HB2 SER 44 - QD1 LEU 87 OK 19 99 - 20 - 8903=4, 1.8/8903=3...(5) HB3 SER 44 - QD1 LEU 87 OK 19 98 - 19 - 8903=3, 1.8/8903=3...(5) HA CYS 121 - QD1 LEU 87 OK 19 81 - 23 - 2.9/8907=13, 3.6/11401=5...(4) HA PHE 38 - QD1 LEU 87 OK 12 98 - 12 - 8931/8883=1, 8903=1 HA3 GLY 125 - QD1 LEU 87 lone 6 85 - 7 - 8903=1 Peak 8904 from aliabs.peaks (4.20, 0.71, 22.08 ppm; 3.79 A): 4 out of 5 assignments used, quality = 0.73: HA TRP 88 + QD2 LEU 87 OK 46 81 - 57 - 3.0/2808=16, ~7014=8...(16) HA PHE 67 + QD2 LEU 87 OK 23 98 - 23 - 8413/2.1=10, 8413=8...(5) HA ILE 101 + QD2 LEU 87 OK 20 62 - 32 - 3.8/2804=8, ~10133=7...(11) HA PHE 43 + QD2 LEU 87 OK 18 100 - 18 - 10827=6, 10827/2.1=4...(4) HA ALA 134 - QD2 LEU 87 lone 2 62 - 2 - Peak 8911 from aliabs.peaks (9.55, 7.48, 128.32 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8926 from aliabs.peaks (1.13, 7.48, 128.32 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: QB ALA 105 + HD1 TRP 88 OK 92 100 - 92 - 10215/2.6=50...(11) HD2 LYS 123 + HD1 TRP 88 OK 27 77 - 35 - 8928/3.9=11, 8927/3.9=11...(4) Peak 8927 from aliabs.peaks (1.13, 3.07, 29.06 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.80: QB ALA 105 + HB3 TRP 88 OK 74 98 - 76 - 9211/1.8=39, 8926/3.9=20...(10) HD2 LYS 123 + HB3 TRP 88 OK 22 92 - 24 - 8928/1.8=9, 11675/4.0=6...(5) Peak 8928 from aliabs.peaks (1.13, 3.31, 29.06 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.86: QB ALA 105 + HB2 TRP 88 OK 81 98 - 83 - 8927/1.8=32, 9211=30...(12) HD2 LYS 123 + HB2 TRP 88 OK 26 92 - 29 - 8927/1.8=10, 11675/4.0=7...(7) Peak 8929 from aliabs.peaks (1.06, 4.19, 60.27 ppm; 4.31 A): 4 out of 4 assignments used, quality = 0.94: HG13 ILE 91 + HA TRP 88 OK 90 100 - 90 - 1.8/10067=25...(19) HG3 LYS 114 + HA TRP 88 OK 20 89 - 22 - 2.9/10067=3, 2967/8976=3...(7) HG2 ARG 35 + HA TRP 88 OK 15 94 - 16 - 11066/5.1=8, 10900=4 HB2 LEU 116 + HA TRP 88 OK 15 92 - 16 - 10063=3, 2975/10067=2...(6) Peak 8930 from aliabs.peaks (0.34, 4.19, 60.27 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.94: QD1 ILE 91 + HA TRP 88 OK 90 98 - 92 - 2.1/10067=23...(30) HG2 LYS 123 + HA TRP 88 OK 45 100 - 45 - ~8884=6, 3.0/10067=5...(19) QD2 LEU 42 - HA TRP 88 OK 22 77 - 28 - 2.1/8157=5, 2.1/10093=3...(13) Peak 8931 from aliabs.peaks (-1.13, 4.19, 60.27 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.52: QG1 VAL 82 + HA TRP 88 OK 52 68 - 77 - 8931=38, 10647/8930=8...(19) Peak 8932 from aliabs.peaks (0.79, 4.19, 60.27 ppm; 3.74 A): 6 out of 6 assignments used, quality = 0.82: QD2 LEU 72 + HA TRP 88 OK 36 100 - 37 - 2.1/10168=6, 8542/8930=5...(11) QG2 THR 74 + HA TRP 88 OK 23 77 - 30 - 2.1/8619=5, 8618=5...(7) QG2 VAL 73 + HA TRP 88 OK 23 62 - 37 - 2.1/8567=5, 8932=5...(14) QD2 LEU 95 + HA TRP 88 OK 23 89 - 26 - 2.1/10093=3, 3151/3.0=3...(14) QD1 LEU 79 + HA TRP 88 OK 22 81 - 27 - 9932/6.4=3, 9941/8931=3...(9) QD1 ILE 136 + HA TRP 88 OK 20 77 - 26 - 9668/3.0=4, 9669/3.0=4...(7) Peak 8937 from aliabs.peaks (3.61, 6.83, 113.40 ppm; 5.80 A): 1 out of 3 assignments used, quality = 0.98: HA ARG 109 + HZ2 TRP 88 OK 98 100 - 98 - 9268/2.5=48, 9267=37...(21) HA2 GLY 31 - HZ2 TRP 88 OK 37 98 - 38 - 10531/2.8=17...(7) HA LYS 61 - HZ2 TRP 88 OK 13 85 - 15 - 3531/10233=3...(6) Peak 8938 from aliabs.peaks (9.55, 6.83, 113.40 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8939 from aliabs.peaks (1.89, 6.83, 113.40 ppm; 6.80 A): 5 out of 9 assignments used, quality = 0.81: HB3 LEU 69 + HZ2 TRP 88 OK 65 81 - 79 - ~9888=38, 3.2/9927=33...(12) HB3 ARG 89 + HZ2 TRP 88 OK 16 96 - 17 - ~8918=6, 11115/10233=3 HB3 LYS 93 + HZ2 TRP 88 OK 15 100 - 15 - 1.8/8940=6, 2.9/8941=2 HB3 ARG 140 + HZ2 TRP 88 OK 15 100 - 15 - ~8918=7, ~8919=2 HB3 LYS 24 + HZ2 TRP 88 OK 12 99 - 12 - 3.0/8942=3, 11342/9269=2 HB3 GLN 111 - HZ2 TRP 88 poor 10 99 - 10 - 11024/8718=3, 2047/9927=1 HB ILE 101 - HZ2 TRP 88 lone 8 85 - 9 - 10131/9112=3 HB2 GLN 62 - HZ2 TRP 88 lone 7 100 - 7 - 8918/2.8=2, 8934/8.8=1 HB3 ARG 141 - HZ2 TRP 88 lone 6 96 - 6 - 10131/9112=3 Peak 8940 from aliabs.peaks (1.84, 6.83, 113.40 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.47: HG LEU 69 + HZ2 TRP 88 OK 47 62 - 75 - ~9888=44, 2.1/9927=34...(8) HB2 LYS 93 - HZ2 TRP 88 lone 10 100 - 10 - 1.8/8939=4, 2.9/8941=2 HB3 LYS 76 - HZ2 TRP 88 poor 7 68 - 10 - 2048/9927=2, 3.5/8941=2...(4) HB3 GLU 28 - HZ2 TRP 88 lone 3 72 - 4 - Peak 8941 from aliabs.peaks (1.55, 6.83, 113.40 ppm; 6.80 A): 2 out of 11 assignments used, quality = 0.99: HB3 LEU 79 + HZ2 TRP 88 OK 95 99 - 97 - 3.6/8671=34, 3.1/8718=33...(16) HG2 ARG 109 + HZ2 TRP 88 OK 86 89 - 97 - 3.9/9267=35, ~10739=33...(21) HD2 LYS 85 - HZ2 TRP 88 OK 31 72 - 42 - 3.0/4705=27, ~8921=11...(6) HG2 ARG 145 - HZ2 TRP 88 OK 19 72 - 26 - 3.0/10737=6, 3.0/10737=5...(9) HG3 ARG 145 - HZ2 TRP 88 OK 18 72 - 25 - 3.0/10737=6, 3.0/10737=5...(9) HD2 LYS 76 - HZ2 TRP 88 OK 15 89 - 17 - 3.5/8940=4...(5) HG3 ARG 55 - HZ2 TRP 88 OK 14 99 - 14 - 2392/8718=3, 6848/8671=2...(5) HG2 LYS 93 - HZ2 TRP 88 OK 13 72 - 18 - 2.9/8940=6, 2.9/8939=4...(5) HB2 LEU 126 - HZ2 TRP 88 OK 12 62 - 19 - 1.8/8940=8, 9336/10188=1 HG2 ARG 55 - HZ2 TRP 88 OK 12 96 - 12 - 2392/8718=2, ~8920=2...(4) QB ALA 135 - HZ2 TRP 88 OK 12 62 - 19 - 9998/10782=5...(5) Peak 8942 from aliabs.peaks (1.31, 6.83, 113.40 ppm; 6.06 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 79 + HZ2 TRP 88 OK 95 99 - 96 - 2.1/8718=33, 8921/2.8=33...(16) HG12 ILE 83 + HZ2 TRP 88 OK 88 89 - 99 - 2.1/10039=40...(21) HG LEU 87 - HZ2 TRP 88 OK 29 100 - 29 - 10047/8828=7, 7012/8.8=6...(9) HG3 LYS 24 - HZ2 TRP 88 OK 16 94 - 17 - 3.0/8939=2, 3.0/8939=2...(7) Peak 8943 from aliabs.peaks (0.77, 6.83, 113.40 ppm; 5.30 A): 4 out of 4 assignments used, quality = 0.97: QG2 VAL 73 + HZ2 TRP 88 OK 83 100 - 84 - 8556/2.5=48, 8555/4.3=38...(14) QD1 LEU 72 + HZ2 TRP 88 OK 46 98 - 47 - 4707/2.5=7, ~4707=5...(20) QD1 ILE 136 + HZ2 TRP 88 OK 44 100 - 44 - 3.0/9665=10...(14) QD1 LEU 108 + HZ2 TRP 88 OK 41 85 - 48 - 9916/4.3=25, 4707/2.5=7...(9) Peak 8944 from aliabs.peaks (0.78, 6.43, 122.14 ppm; 6.52 A): 4 out of 5 assignments used, quality = 0.99: QG2 VAL 73 + HH2 TRP 88 OK 92 99 - 93 - 8555/2.4=50, 8556=49...(13) QD1 LEU 108 + HH2 TRP 88 OK 67 81 - 83 - 9916/2.4=34, ~10547=31...(12) QD1 LEU 72 + HH2 TRP 88 OK 52 96 - 54 - 8943/2.5=10, ~11067=7...(16) QD1 ILE 136 + HH2 TRP 88 OK 48 100 - 48 - 8943/2.5=10, ~9665=9...(12) QD2 LEU 72 - HH2 TRP 88 OK 28 62 - 45 - ~8943=8, ~11067=7...(13) Peak 8947 from aliabs.peaks (1.16, 4.30, 59.11 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.77: QG2 THR 92 + HA ARG 89 OK 73 98 - 75 - 2.1/2858=36, 3.0/8952=21...(12) HG2 LYS 76 + HA ARG 89 OK 16 100 - 16 - 9890/4.9=4, 10075/3.5=3...(6) HG LEU 64 - HA ARG 89 poor 10 72 - 13 - 2.1/8948=7, 3003/2858=4 Peak 8948 from aliabs.peaks (0.87, 4.30, 59.11 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.61: QG2 ILE 83 + HA ARG 89 OK 41 92 - 45 - 8950/5.5=16, 9019/2858=5...(14) QD1 LEU 64 + HA ARG 89 OK 26 98 - 26 - 9027/8947=8, 9019/2858=7...(5) HB3 LEU 42 + HA ARG 89 OK 11 99 - 11 - 9019/2858=3, 9027/8947=3 Peak 8949 from aliabs.peaks (1.26, 4.30, 59.11 ppm; 4.87 A): 4 out of 7 assignments used, quality = 0.71: QG2 THR 99 + HA ARG 89 OK 45 94 - 47 - 10114/5.5=11...(8) HB3 LEU 97 + HA ARG 89 OK 28 100 - 29 - 10105/8947=8...(7) HB2 LEU 132 + HA ARG 89 OK 19 99 - 19 - 4479/4.9=3, 1.8/2850=2...(5) QG2 THR 102 + HA ARG 89 OK 10 92 - 11 - 2.1/2858=2, 10103/7079=2...(4) HG13 ILE 58 - HA ARG 89 lone 5 68 - 7 - 2.9/2853=1, ~8273=1 HG2 LYS 61 - HA ARG 89 lone 4 96 - 5 - HG3 LYS 61 - HA ARG 89 lone 4 100 - 4 - Peak 8950 from aliabs.peaks (0.87, 3.25, 43.17 ppm; 3.97 A): 0 out of 3 assignments used, low quality = 0.21: QG2 ILE 83 - HD2 ARG 89 OK 21 92 - 23 - 8948/5.5=7, 11042/3.0=4...(8) QD1 LEU 64 - HD2 ARG 89 lone 6 98 - 6 - 8948/5.5=4 HB3 LEU 42 - HD2 ARG 89 lone 3 99 - 3 - 8948/5.5=2 Peak 8952 from aliabs.peaks (5.01, 4.30, 59.11 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8957 from aliabs.peaks (0.78, 4.08, 58.53 ppm; 5.62 A): 5 out of 5 assignments used, quality = 0.88: QD1 ILE 136 + HA GLU 90 OK 50 100 - 50 - 3.0/8958=12, 4636/5.0=9...(18) QD1 LEU 72 + HA GLU 90 OK 45 94 - 47 - 9913/3.6=21, 8962/5.0=9...(8) QG2 VAL 73 + HA GLU 90 OK 36 99 - 36 - 8574/4.9=13...(7) QD1 LEU 108 + HA GLU 90 OK 20 77 - 26 - ~8954=6, 8962/5.0=6...(7) QD2 LEU 72 + HA GLU 90 OK 14 68 - 21 - ~10075=5, 8962/5.0=5...(6) Peak 8958 from aliabs.peaks (0.90, 4.08, 58.53 ppm; 4.39 A): 5 out of 6 assignments used, quality = 0.75: QG2 ILE 136 + HA GLU 90 OK 34 99 - 34 - 3.0/8957=6, 4612/5.0=5...(12) QD1 ILE 101 + HA GLU 90 OK 29 99 - 29 - 9180/3.0=7, 10131/3.8=4...(8) QG2 ILE 101 + HA GLU 90 OK 20 96 - 21 - 2.1/2916=4, ~9180=3...(9) QG2 VAL 80 + HA GLU 90 OK 19 92 - 20 - 2.1/2915=3, 8748=2...(7) QD1 LEU 97 + HA GLU 90 OK 18 100 - 18 - 8948/4.9=3, 10136/7066=2...(7) QG2 ILE 56 - HA GLU 90 lone 5 92 - 6 - 8948/4.9=1 Peak 8962 from aliabs.peaks (0.77, 3.71, 62.40 ppm; 3.16 A): 5 out of 5 assignments used, quality = 0.97: QD1 LEU 72 + HA ILE 91 OK 67 100 - 67 - 8541/4.2=13, 9913/2.9=11...(27) QD1 LEU 108 + HA ILE 91 OK 51 100 - 51 - 10553/3.6=11, 3511/3.2=7...(18) QG2 VAL 73 + HA ILE 91 OK 45 96 - 46 - 8593/4.2=13, ~10648=7...(13) QD2 LEU 108 + HA ILE 91 OK 39 92 - 43 - 8970/3.2=7, 9265/3.0=5...(18) QD1 ILE 136 + HA ILE 91 OK 38 89 - 42 - 4636=9, 2.1/4620=5...(18) Peak 8963 from aliabs.peaks (1.78, 3.71, 62.40 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.94: HG LEU 72 + HA ILE 91 OK 81 100 - 82 - 8972/3.2=16...(18) HB3 MET 59 + HA ILE 91 OK 52 100 - 52 - 8972/3.2=8, 3.0/2947=6...(20) HB ILE 83 + HA ILE 91 OK 38 85 - 44 - 2.1/10658=16, ~10029=6...(13) HD2 LYS 34 - HA ILE 91 OK 18 72 - 25 - ~7050=4, 8972/3.2=4...(10) HB3 ARG 145 - HA ILE 91 OK 16 81 - 19 - 3.0/10390=15, 8972/3.2=2 HG LEU 39 - HA ILE 91 OK 14 92 - 15 - 8972/3.2=5, 8134/11545=2...(4) HB3 ARG 55 - HA ILE 91 lone 9 100 - 9 - 8972/3.2=2, 1414/3.6=2...(4) HB3 ARG 35 - HA ILE 91 poor 9 72 - 13 - 2.9/2950=3, 8972/3.2=2...(6) Peak 8964 from aliabs.peaks (4.00, 3.71, 62.40 ppm; 4.08 A): 7 out of 9 assignments used, quality = 0.80: HA LYS 114 + HA ILE 91 OK 44 98 - 45 - 8975/3.2=10, 3735/3.8=8...(13) HA LEU 69 + HA ILE 91 OK 27 100 - 28 - 4.1/9928=10, 11533/3.2=7...(6) HB3 SER 138 + HA ILE 91 OK 16 94 - 17 - 4.7/7787=3, 8975/3.2=3...(5) HB2 SER 138 + HA ILE 91 OK 16 92 - 17 - 4.7/7787=3, 8975/3.2=3...(5) HA GLU 122 + HA ILE 91 OK 12 94 - 12 - 11533/3.2=3, ~10081=1 HB3 SER 100 + HA ILE 91 OK 11 94 - 12 - 10473=7, ~7047=1 HA MET 113 + HA ILE 91 OK 11 94 - 11 - ~7052=4, 8975/3.2=2, ~7053=2 HB3 SER 127 - HA ILE 91 lone 6 89 - 7 - 8975/3.2=2 HB2 SER 103 - HA ILE 91 lone 2 94 - 3 - Peak 8965 from aliabs.peaks (4.21, 3.71, 62.40 ppm; 5.33 A): 4 out of 7 assignments used, quality = 0.84: HA LYS 93 + HA ILE 91 OK 67 81 - 82 - 3.6/9001=34, 2.9/7082=29...(13) HA PHE 45 + HA ILE 91 OK 32 96 - 33 - ~8998=9, ~9000=9...(7) HA ALA 134 + HA ILE 91 OK 17 100 - 17 - 3.6/9656=6, 4571/7760=2...(6) HA ILE 101 + HA ILE 91 OK 13 100 - 13 - 9187/3.0=1, 7087/7082=1...(4) HA THR 102 - HA ILE 91 lone 7 100 - 7 - 7087/7082=2, 7099/9001=2 HA PHE 67 - HA ILE 91 lone 7 89 - 8 - 9869/8969=1 HA PHE 43 - HA ILE 91 lone 7 68 - 10 - 3.6/9001=6 Peak 8967 from aliabs.peaks (0.76, 2.40, 35.83 ppm; 4.01 A): 4 out of 5 assignments used, quality = 1.00: QD1 LEU 72 + HB ILE 91 OK 91 98 - 93 - 8541/3.2=26, ~8542=15...(37) QG2 VAL 73 + HB ILE 91 OK 79 92 - 86 - 8593/3.2=26, ~8978=17...(21) QD1 LEU 108 + HB ILE 91 OK 76 100 - 76 - 10553/4.7=14...(23) QD2 LEU 108 + HB ILE 91 OK 74 96 - 77 - 9265=15, 8970/2.1=14...(27) QD1 ILE 136 - HB ILE 91 OK 42 81 - 52 - 4636/3.0=6, 8967=6...(17) Peak 8968 from aliabs.peaks (1.14, 2.40, 35.83 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.82: HG LEU 64 + HB ILE 91 OK 74 92 - 80 - 8979/3.2=17, 8968=17...(23) QB ALA 105 + HB ILE 91 OK 32 89 - 36 - ~8974=12, ~3413=6...(10) Peak 8969 from aliabs.peaks (1.18, 3.71, 62.40 ppm; 4.04 A): 3 out of 6 assignments used, quality = 0.96: HB2 LEU 72 + HA ILE 91 OK 80 100 - 80 - 3.0/11545=13...(26) QD1 LEU 69 + HA ILE 91 OK 72 100 - 72 - 9883/2.9=26, 9928=19...(16) HB3 LEU 108 + HA ILE 91 OK 38 72 - 52 - 1.8/2948=9, 3.2/8962=8...(19) QG2 THR 18 - HA ILE 91 OK 20 98 - 20 - 10856=11, 8968/3.0=3...(4) HG2 LYS 76 - HA ILE 91 OK 20 72 - 28 - 8658/4.2=9, 8971/3.2=7...(5) HG12 ILE 56 - HA ILE 91 lone 6 92 - 7 - 1471/3.6=1 Peak 8970 from aliabs.peaks (0.76, 0.94, 17.96 ppm; 2.65 A): 3 out of 3 assignments used, quality = 0.85: QD2 LEU 108 + QG2 ILE 91 OK 53 100 - 53 - 3503=13, 2.1/3511=8...(19) QD1 LEU 108 + QG2 ILE 91 OK 44 89 - 50 - 3511=11, 2.1/3503=7...(17) QD1 LEU 72 + QG2 ILE 91 OK 43 68 - 63 - 8970=10, 2.1/8972=7...(30) Peak 8971 from aliabs.peaks (1.16, 0.94, 17.96 ppm; 2.93 A): 3 out of 3 assignments used, quality = 0.84: HG2 LYS 76 + QG2 ILE 91 OK 54 100 - 54 - 8971=11, 8658/3.3=10...(18) QG2 THR 92 + QG2 ILE 91 OK 51 96 - 53 - 3.9/2969=10, 8971=9...(12) HG LEU 64 + QG2 ILE 91 OK 31 68 - 46 - 8979/3.3=8, 8968/2.1=5...(20) Peak 8972 from aliabs.peaks (1.78, 0.94, 17.96 ppm; 3.61 A): 2 out of 8 assignments used, quality = 0.93: HG LEU 72 + QG2 ILE 91 OK 88 100 - 88 - 8972=19, 2.1/8970=14...(36) HB3 MET 59 + QG2 ILE 91 OK 43 99 - 44 - 8972=9, 3.0/2964=5...(21) HG LEU 39 - QG2 ILE 91 OK 25 89 - 28 - ~11497=6, 8972=5...(9) HD2 LYS 34 - QG2 ILE 91 OK 20 77 - 26 - 8972=4, 1.8/8972=3...(11) HB ILE 83 - QG2 ILE 91 OK 12 81 - 15 - ~10658=5, 8963/3.2=3 HB3 ARG 145 - QG2 ILE 91 OK 10 85 - 12 - ~10390=4, 8972=2...(4) HB3 ARG 55 - QG2 ILE 91 lone 10 100 - 10 - 4.0/10618=2, 8972=2 HB3 ARG 35 - QG2 ILE 91 poor 10 68 - 15 - ~8986=2, 2.9/2967=2...(6) Peak 8973 from aliabs.peaks (2.77, 0.94, 17.96 ppm; 5.33 A): 3 out of 8 assignments used, quality = 0.96: HE2 LYS 114 + QG2 ILE 91 OK 74 92 - 81 - 3.7/2967=13, ~3825=11...(24) HE3 LYS 76 + QG2 ILE 91 OK 68 85 - 80 - 3.9/8971=18, ~8666=18...(19) HE2 LYS 76 + QG2 ILE 91 OK 49 62 - 79 - 3.9/8971=18, ~8666=18...(18) HB2 PHE 38 - QG2 ILE 91 OK 40 98 - 41 - ~786=9, ~6242=7...(13) HB3 TYR 119 - QG2 ILE 91 OK 11 85 - 13 - 3.0/8974=8, ~10703=3 HB3 ASP 137 - QG2 ILE 91 poor 9 72 - 12 - ~10476=3, ~10353=3...(4) HB2 ASP 41 - QG2 ILE 91 lone 5 100 - 5 - HG3 GLN 111 - QG2 ILE 91 lone 4 72 - 6 - 3.0/11577=2 Peak 8974 from aliabs.peaks (3.09, 0.94, 17.96 ppm; 4.42 A): 0 out of 5 assignments used, low quality = 0.20: HA ALA 105 - QG2 ILE 91 OK 20 68 - 29 - ~8968=7, 3413=4...(10) HD3 ARG 49 - QG2 ILE 91 poor 10 72 - 13 - 3.7/10468=4, 3.0/3495=1 HA TYR 119 - QG2 ILE 91 poor 8 68 - 12 - 10703/3.3=1...(5) HA2 GLY 78 - QG2 ILE 91 lone 5 77 - 6 - 8705/8970=1 HB3 HIS 10 - QG2 ILE 91 lone 2 94 - 3 - Peak 8975 from aliabs.peaks (4.00, 0.94, 17.96 ppm; 4.12 A): 7 out of 9 assignments used, quality = 0.94: HA LYS 114 + QG2 ILE 91 OK 74 100 - 74 - 8975=17, 3735/3.2=10...(27) HA LEU 69 + QG2 ILE 91 OK 38 96 - 40 - 4.1/9894=12, 8975=9...(10) HB3 SER 138 + QG2 ILE 91 OK 22 99 - 22 - 8975=5, 1.8/8975=4...(6) HB2 SER 138 + QG2 ILE 91 OK 21 98 - 22 - 8975=5, 1.8/8975=4...(6) HA GLU 122 + QG2 ILE 91 OK 20 85 - 23 - 8975=5, ~11606=3...(7) HA MET 113 + QG2 ILE 91 OK 14 99 - 14 - 8975=4, 8964/3.2=2...(4) HB3 SER 127 + QG2 ILE 91 OK 12 96 - 12 - 8975=3, ~8990=2, 8964/3.2=1 HB3 SER 100 - QG2 ILE 91 lone 7 85 - 8 - 10473/3.2=4 HB2 SER 103 - QG2 ILE 91 lone 6 85 - 7 - 4.6/10083=3, ~11618=1 Peak 8976 from aliabs.peaks (4.19, 0.94, 17.96 ppm; 3.75 A): 3 out of 5 assignments used, quality = 0.93: HA TRP 88 + QG2 ILE 91 OK 85 100 - 85 - 8976=18, 2828/2.1=18...(23) HA LEU 64 + QG2 ILE 91 OK 47 81 - 57 - 8976=13, 2953/2.1=10...(19) HA PHE 43 + QG2 ILE 91 OK 13 92 - 14 - 3.6/10082=4, 2953/2.1=3...(5) HA CYS 121 - QG2 ILE 91 lone 5 62 - 8 - 4.9/11533=2, 3.6/10081=2 HA PHE 67 - QG2 ILE 91 lone 5 72 - 7 - ~11233=2 Peak 8977 from aliabs.peaks (0.76, 0.34, 10.47 ppm; 2.75 A): 4 out of 5 assignments used, quality = 0.95: QD1 LEU 72 + QD1 ILE 91 OK 62 89 - 70 - 2.1/8542=18, 8541=16...(26) QG2 VAL 73 + QD1 ILE 91 OK 53 77 - 69 - 8593=21, 2.1/8978=17...(19) QD2 LEU 108 + QD1 ILE 91 OK 51 100 - 51 - 8810/11029=9, 8970/3.3=7...(23) QD1 LEU 108 + QD1 ILE 91 OK 45 99 - 46 - 8970/3.3=6, 8541=5...(22) QD1 ILE 136 - QD1 ILE 91 OK 12 62 - 20 - 4.2/2987=2, 8977=2...(6) Peak 8978 from aliabs.peaks (0.10, 0.34, 10.47 ppm; 3.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8979 from aliabs.peaks (1.15, 0.34, 10.47 ppm; 3.12 A): 3 out of 3 assignments used, quality = 0.77: QG2 THR 92 + QD1 ILE 91 OK 50 85 - 59 - 8979=27, 3.9/7073=10...(12) HG LEU 64 + QD1 ILE 91 OK 48 100 - 48 - 8979=15, 8968/3.2=8...(19) QB ALA 105 + QD1 ILE 91 OK 11 62 - 18 - 8968/3.2=4, ~8974=4...(5) Peak 8980 from aliabs.peaks (1.53, 0.34, 10.47 ppm; 3.36 A): 8 out of 8 assignments used, quality = 0.95: HG3 LYS 76 + QD1 ILE 91 OK 72 100 - 72 - 1.8/8658=18, 3.0/8666=16...(15) HD2 LYS 76 + QD1 ILE 91 OK 46 68 - 68 - 1.8/8666=22, 3.0/8658=14...(16) HG2 LYS 93 + QD1 ILE 91 OK 24 85 - 28 - 1.8/2990=5, 8661=4...(11) QB ALA 135 + QD1 ILE 91 OK 21 92 - 23 - 9654/4.2=12, 8980=2 HB2 LEU 29 + QD1 ILE 91 OK 15 99 - 15 - 8980=2, 10628/8979=2...(5) HB2 GLU 122 + QD1 ILE 91 OK 14 100 - 14 - 1.8/11606=3, 11036=1 HG3 LYS 85 + QD1 ILE 91 OK 13 100 - 13 - 10049/10062=2...(4) HG3 PRO 57 + QD1 ILE 91 OK 10 81 - 12 - 1.8/8981=3, 10628/8979=2...(4) Peak 8981 from aliabs.peaks (1.80, 0.34, 10.47 ppm; 3.62 A): 5 out of 8 assignments used, quality = 0.94: HB3 LEU 72 + QD1 ILE 91 OK 74 85 - 87 - 3.2/8542=23, 3.1/8541=23...(27) HG LEU 72 + QD1 ILE 91 OK 53 62 - 85 - 2.1/8542=30, 2.1/8541=29...(23) HD3 LYS 34 + QD1 ILE 91 OK 27 100 - 27 - 8981=4, 1.8/8981=4...(12) HD2 LYS 34 + QD1 ILE 91 OK 23 98 - 24 - 8981=5, 1.8/8981=4...(9) HG2 PRO 57 + QD1 ILE 91 OK 19 100 - 19 - 11019/8979=2, ~8266=2...(8) HB3 ARG 145 - QD1 ILE 91 lone 6 94 - 7 - 8981=1, 4.0/8996=1 HB2 ARG 124 - QD1 ILE 91 lone 6 72 - 8 - 8981=2 HD3 LYS 86 - QD1 ILE 91 lone 5 100 - 5 - Peak 8982 from aliabs.peaks (2.00, 0.34, 10.47 ppm; 4.27 A): 4 out of 10 assignments used, quality = 0.96: HB VAL 63 + QD1 ILE 91 OK 66 100 - 66 - 2.1/2989=10, 1796/3.3=10...(23) HB3 GLU 90 + QD1 ILE 91 OK 65 100 - 65 - 1.8/10077=22...(8) HB2 GLU 90 + QD1 ILE 91 OK 45 72 - 62 - 4.7/7059=21, 3.0/9808=15...(11) QE MET 11 + QD1 ILE 91 OK 43 89 - 48 - 10600/2.1=21...(8) QE MET 59 - QD1 ILE 91 OK 39 99 - 40 - 3.4/2988=5, 3.4/2988=5...(14) QE MET 113 - QD1 ILE 91 OK 38 100 - 39 - 10250/8995=6...(14) HG3 PRO 52 - QD1 ILE 91 OK 26 99 - 27 - ~8986=8, ~8986=7, 8982=3...(7) HG3 GLU 122 - QD1 ILE 91 OK 15 89 - 17 - 3.0/11606=5, 3.0/11036=3...(4) HB3 ARG 124 - QD1 ILE 91 OK 12 81 - 15 - 11609/8542=3, 1.8/8981=2...(5) HB2 GLN 111 - QD1 ILE 91 lone 8 85 - 10 - ~3615=2, ~3615=1 Peak 8983 from aliabs.peaks (2.75, 0.34, 10.47 ppm; 3.60 A): 6 out of 10 assignments used, quality = 0.95: HE2 LYS 76 + QD1 ILE 91 OK 67 94 - 72 - 3.0/8666=19, 3.0/8663=18...(19) HE3 LYS 76 + QD1 ILE 91 OK 54 77 - 71 - 3.0/8666=19, 3.0/8663=18...(18) HE2 LYS 114 + QD1 ILE 91 OK 42 68 - 62 - 8983=9, 3.7/2991=7...(21) HG3 MET 113 + QD1 ILE 91 OK 19 100 - 19 - 8983=3, 10071/10077=2...(5) HB3 ASP 40 + QD1 ILE 91 OK 18 99 - 18 - 3.3/9002=7, 8983=3...(5) HB3 PHE 43 + QD1 ILE 91 OK 10 99 - 10 - 8983=2, ~10642=2...(4) HB2 ASN 54 - QD1 ILE 91 lone 8 98 - 8 - 10449/9002=4, 8983=1 HB2 ASN 96 - QD1 ILE 91 lone 5 98 - 5 - 3.5/8994=2 HB3 ASP 137 - QD1 ILE 91 lone 5 89 - 5 - HB3 ASP 16 - QD1 ILE 91 lone 1 96 - 1 - Peak 8985 from aliabs.peaks (3.20, 0.34, 10.47 ppm; 3.58 A): 4 out of 8 assignments used, quality = 0.94: HA VAL 73 + QD1 ILE 91 OK 90 99 - 91 - 8582=37, 3.2/8593=25...(27) HA LEU 39 + QD1 ILE 91 OK 23 100 - 23 - 3.6/9002=6, ~10759=4...(10) HD3 ARG 55 + QD1 ILE 91 OK 15 100 - 15 - 8985=4, 1.8/8985=2, 2180/8593=2 HD2 ARG 55 + QD1 ILE 91 OK 12 98 - 12 - 1.8/8985=4, 2180/8593=1 HD3 ARG 144 - QD1 ILE 91 lone 9 94 - 10 - 8985=3, 1.8/8985=2...(4) HD2 ARG 144 - QD1 ILE 91 lone 7 77 - 10 - 1.8/8985=2, 8985=2...(4) HD2 ARG 141 - QD1 ILE 91 lone 7 96 - 7 - 8985=2, 1.8/8985=1 HD3 ARG 141 - QD1 ILE 91 lone 5 85 - 6 - 1.8/8985=2, 8985=2 Peak 8986 from aliabs.peaks (2.05, 1.06, 26.96 ppm; 5.30 A): 4 out of 5 assignments used, quality = 0.64: HB2 PRO 52 + HG13 ILE 91 OK 42 98 - 43 - 8986=17, 3.9/6501=10...(10) HG2 PRO 98 + HG13 ILE 91 OK 17 99 - 17 - 8986=7, 1.8/8986=6 HG3 PRO 98 + HG13 ILE 91 OK 15 92 - 17 - 8986=7, 1.8/8986=6, 10676/8184=1 HB2 PRO 33 + HG13 ILE 91 OK 11 85 - 13 - 8986=5, ~11619=3...(4) HB3 GLN 62 - HG13 ILE 91 lone 4 77 - 6 - Peak 8989 from aliabs.peaks (4.17, 1.06, 26.96 ppm; 4.89 A): 4 out of 7 assignments used, quality = 0.93: HA LEU 64 + HG13 ILE 91 OK 60 96 - 62 - 3.0/2981=9, 8989=9...(20) HA TRP 88 + HG13 ILE 91 OK 59 68 - 87 - ~10637=19, 8929=17...(18) HA PHE 38 + HG13 ILE 91 OK 45 99 - 45 - 3.6/10759=10, ~786=7...(12) HB2 SER 44 + HG13 ILE 91 OK 26 72 - 36 - ~9817=7, ~8991=6...(10) HB3 SER 44 - HG13 ILE 91 OK 24 68 - 35 - ~9817=7, ~8991=6...(10) HA GLU 120 - HG13 ILE 91 OK 21 89 - 24 - 4013/1.8=6, 8930/2.1=3...(7) HA CYS 121 - HG13 ILE 91 OK 12 100 - 12 - 4.9/8989=2, 4042/10713=1...(5) Peak 8990 from aliabs.peaks (3.86, 0.34, 10.47 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.95: HA LEU 72 + QD1 ILE 91 OK 92 100 - 93 - 3.8/8541=26, 3.9/8542=26...(23) HA LYS 36 + QD1 ILE 91 OK 43 100 - 43 - 3.6/8993=16, ~8997=8...(12) HA MET 68 - QD1 ILE 91 OK 33 100 - 33 - 8990=8, 2142/8542=5...(13) HD2 PRO 118 - QD1 ILE 91 OK 13 92 - 14 - 8990=2, 3.0/2988=1 Peak 8991 from aliabs.peaks (4.16, 0.34, 10.47 ppm; 3.87 A): 6 out of 8 assignments used, quality = 0.92: HA LYS 76 + QD1 ILE 91 OK 67 100 - 68 - 3.0/8994=17, 4.1/8658=14...(13) HB3 SER 44 + QD1 ILE 91 OK 33 100 - 33 - 8991=5, 9813/3.2=5...(12) HB2 SER 44 + QD1 ILE 91 OK 33 100 - 33 - 8991=5, 9813/3.2=5...(12) HA GLU 120 + QD1 ILE 91 OK 21 94 - 22 - 4013/2.1=5, 8991=4...(6) HA PHE 38 + QD1 ILE 91 OK 20 77 - 26 - ~786=4, 4.9/11062=3...(9) HA LEU 126 + QD1 ILE 91 OK 13 92 - 14 - 8991=2, 2296/8663=2...(7) HA3 GLY 125 - QD1 ILE 91 lone 6 100 - 6 - HA GLU 131 - QD1 ILE 91 lone 3 72 - 5 - Peak 8992 from aliabs.peaks (3.98, 0.34, 10.47 ppm; 5.03 A): 5 out of 5 assignments used, quality = 0.81: HA GLU 75 + QD1 ILE 91 OK 67 100 - 67 - 3.6/8994=24, 3.0/8639=17...(10) HB3 SER 127 + QD1 ILE 91 OK 15 72 - 21 - 1.8/8990=5, 9958/8542=2...(7) HA MET 113 + QD1 ILE 91 OK 14 62 - 22 - 3.7/8983=3, 5.4/8982=3...(8) HB2 SER 138 + QD1 ILE 91 OK 13 68 - 19 - 8975/3.3=3, ~8975=3...(5) HB3 SER 138 + QD1 ILE 91 OK 12 62 - 18 - 8975/3.3=3, ~8975=3, ~8975=3 Peak 8993 from aliabs.peaks (7.23, 0.34, 10.47 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.52: H GLU 37 + QD1 ILE 91 OK 37 62 - 59 - 8998/3.3=13, 9000/4.5=11...(18) QD PHE 45 + QD1 ILE 91 OK 24 72 - 33 - 8998/3.3=8, 9000/4.5=7...(11) Peak 8994 from aliabs.peaks (6.79, 0.34, 10.47 ppm; 6.01 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8995 from aliabs.peaks (6.54, 0.34, 10.47 ppm; 4.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8996 from aliabs.peaks (8.01, 0.34, 10.47 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.95: H VAL 73 + QD1 ILE 91 OK 94 100 - 94 - 8577=34, 3.0/8582=27...(22) H GLN 47 + QD1 ILE 91 OK 16 62 - 25 - ~10713=5, 8996=5...(8) Peak 8997 from aliabs.peaks (7.20, 1.06, 26.96 ppm; 5.90 A): 2 out of 2 assignments used, quality = 0.61: H LYS 36 + HG13 ILE 91 OK 45 81 - 55 - 8997=13, 3.6/8986=11...(16) QD TYR 27 + HG13 ILE 91 OK 30 68 - 44 - 3.7/8044=14, 10079/1.8=8...(11) Peak 8998 from aliabs.peaks (7.22, 0.94, 17.96 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.70: H GLU 37 + QG2 ILE 91 OK 54 99 - 55 - 8998=12, 9000/4.0=10...(14) QD PHE 45 + QG2 ILE 91 OK 34 100 - 34 - 9000/4.0=7, 8993/3.3=6...(11) Peak 8999 from aliabs.peaks (6.55, 0.94, 17.96 ppm; 3.94 A): 0 out of 1 assignment used, low quality = 0.00: QE TYR 117 - QG2 ILE 91 lone 3 68 - 4 - 4.5/10639=2, 9939/8737=1 Peak 9002 from aliabs.peaks (8.58, 0.34, 10.47 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.82: H LEU 72 + QD1 ILE 91 OK 69 72 - 95 - 3.0/8996=33, 4.9/8541=25...(24) H ASP 40 + QD1 ILE 91 OK 41 92 - 45 - 9002=16, 3.6/11062=6...(11) Peak 9011 from aliabs.peaks (3.10, 1.16, 21.95 ppm; 3.95 A): 3 out of 6 assignments used, quality = 0.56: HA ALA 105 + QG2 THR 92 OK 32 100 - 32 - 9198/10088=9, 4.9/9194=8...(7) HB3 ASN 96 + QG2 THR 92 OK 28 68 - 41 - ~10123=11, ~10102=8...(7) HD2 ARG 109 + QG2 THR 92 OK 11 85 - 13 - 3.6/10096=3...(4) HA TYR 119 - QG2 THR 92 lone 9 100 - 9 - 9198/10088=1 HD2 ARG 145 - QG2 THR 92 lone 4 72 - 5 - HD3 ARG 145 - QG2 THR 92 lone 3 68 - 5 - Peak 9016 from aliabs.peaks (1.71, 3.66, 66.86 ppm; 4.14 A): 4 out of 5 assignments used, quality = 0.90: HD2 LYS 93 + HA THR 92 OK 65 100 - 65 - 3067/3.6=14, 9016=10...(19) HB3 LEU 95 + HA THR 92 OK 62 98 - 64 - 3.9/9003=12, 3.0/9061=12...(14) HB2 LYS 85 + HA THR 92 OK 15 81 - 18 - 3016/4.8=5, 4.6/9003=5...(4) HD2 LYS 86 + HA THR 92 OK 15 94 - 15 - 5.4/10050=3, 6.3/9003=3...(4) HB3 ARG 109 - HA THR 92 poor 8 68 - 12 - 2.8/11617=3, 10096/3.2=3...(4) Peak 9017 from aliabs.peaks (0.86, 3.66, 66.86 ppm; 3.61 A): 3 out of 4 assignments used, quality = 0.95: QD2 LEU 97 + HA THR 92 OK 79 92 - 86 - 2.1/9116=20, 9124=18...(30) QG2 ILE 83 + HA THR 92 OK 52 96 - 54 - 2515=10, 9027/3.2=7...(20) QD1 LEU 64 + HA THR 92 OK 49 89 - 55 - 9027/3.2=11, 2.1/2997=10...(15) HB3 LEU 42 - HA THR 92 OK 19 85 - 22 - 3.0/9067=4, 9027/3.2=4...(9) Peak 9018 from aliabs.peaks (0.78, 3.66, 66.86 ppm; 3.80 A): 4 out of 4 assignments used, quality = 0.89: QD2 LEU 72 + HA THR 92 OK 52 85 - 61 - 2.1/10230=20, 9028/3.2=9...(17) QD1 LEU 72 + HA THR 92 OK 51 81 - 62 - 10230=18, 10229/4.1=11...(17) QD1 ILE 136 + HA THR 92 OK 34 98 - 34 - 9035/3.6=5, 9028/3.2=5...(11) QG2 VAL 73 + HA THR 92 OK 28 92 - 30 - 9028/3.2=5, 3.2/10086=4...(11) Peak 9019 from aliabs.peaks (0.88, 4.25, 67.40 ppm; 3.88 A): 4 out of 4 assignments used, quality = 0.87: QD1 LEU 64 + HB THR 92 OK 62 92 - 68 - 9027/2.1=23, 2.1/3003=12...(13) QG2 ILE 83 + HB THR 92 OK 47 81 - 58 - 9027/2.1=14, 2515/3.0=8...(17) HB3 LEU 42 + HB THR 92 OK 27 94 - 28 - 9027/2.1=7, ~9029=4...(10) QG2 ILE 56 + HB THR 92 OK 14 68 - 20 - ~11578=5, ~10083=4...(7) Peak 9020 from aliabs.peaks (0.77, 4.25, 67.40 ppm; 4.26 A): 4 out of 5 assignments used, quality = 0.95: QD1 LEU 72 + HB THR 92 OK 74 99 - 75 - 10229/2.8=24...(16) QD1 LEU 108 + HB THR 92 OK 55 89 - 62 - 9259=26, 10553/4.0=16...(9) QG2 VAL 73 + HB THR 92 OK 36 100 - 36 - 9028/2.1=8, 9018/3.0=5...(10) QD2 LEU 108 + HB THR 92 OK 36 62 - 58 - 2.1/9259=27, ~9028=8...(9) QD1 ILE 136 - HB THR 92 OK 35 100 - 35 - 9028/2.1=6, 9018/3.0=6...(11) Peak 9021 from aliabs.peaks (1.62, 4.25, 67.40 ppm; 4.88 A): 4 out of 7 assignments used, quality = 0.92: HB3 LEU 64 + HB THR 92 OK 81 98 - 82 - 9026/2.1=22, 3.2/9019=17...(16) HG3 ARG 144 + HB THR 92 OK 34 94 - 36 - 3.0/9023=8, 9026/2.1=7...(7) HD2 LYS 24 + HB THR 92 OK 25 98 - 26 - 9026/2.1=9, 10081/3.0=5...(5) HB2 LEU 87 + HB THR 92 OK 21 100 - 21 - 9026/2.1=5, 10081/3.0=4...(6) HG3 LYS 48 - HB THR 92 OK 19 89 - 21 - 10081/3.0=4, 2.9/9023=3...(6) HG3 LYS 34 - HB THR 92 OK 11 98 - 11 - 9026/2.1=5, 10081/3.0=2 HG3 ARG 49 - HB THR 92 OK 10 89 - 11 - 9026/2.1=2, ~10082=2 Peak 9022 from aliabs.peaks (1.72, 4.25, 67.40 ppm; 4.87 A): 6 out of 8 assignments used, quality = 0.91: HG3 ARG 89 + HB THR 92 OK 58 100 - 59 - 3.8/2858=36...(6) HD2 LYS 93 + HB THR 92 OK 40 62 - 64 - ~10106=16, 6.2/3004=16...(11) HB3 ARG 144 + HB THR 92 OK 32 92 - 35 - 1.8/9023=9, 10096/2.1=7...(7) HB3 GLU 81 + HB THR 92 OK 27 98 - 27 - 10096/2.1=7, ~10085=7...(6) HB3 ARG 109 + HB THR 92 OK 16 100 - 16 - 10096/2.1=5, ~11617=3...(4) HD2 LYS 36 + HB THR 92 OK 12 85 - 14 - 10096/2.1=4, ~10100=3 HB2 LYS 85 - HB THR 92 lone 8 100 - 8 - 9016/3.0=2, 1.8/9023=1 HB ILE 58 - HB THR 92 lone 7 85 - 8 - ~10102=1 Peak 9023 from aliabs.peaks (1.90, 4.25, 67.40 ppm; 5.33 A): 3 out of 11 assignments used, quality = 0.97: HB3 ARG 89 + HB THR 92 OK 86 100 - 87 - 3.0/2999=42, ~8952=25...(12) HB3 LYS 93 + HB THR 92 OK 65 77 - 85 - 4.1/3004=30, ~10106=26...(15) HB ILE 101 + HB THR 92 OK 43 100 - 43 - 4.3/10148=12, 2.1/9019=6...(15) HB2 MET 59 - HB THR 92 OK 33 89 - 37 - ~9033=7, ~9033=6...(10) HB3 LEU 69 - HB THR 92 OK 30 100 - 30 - 9025/2.1=5, 9014/4.0=4...(12) HB3 LYS 24 - HB THR 92 OK 29 98 - 30 - ~10085=7, ~10100=6...(6) HB3 ARG 141 - HB THR 92 OK 27 62 - 43 - 2.8/4805=5, ~2996=4...(17) QE MET 68 - HB THR 92 OK 21 77 - 27 - 8451/3.0=8, 9025/2.1=6...(7) HB3 ARG 140 - HB THR 92 OK 18 81 - 23 - 2851/2999=5, 4.7/7840=3...(7) HB3 GLN 111 - HB THR 92 OK 11 98 - 12 - ~10083=2, ~10097=2, 9025/2.1=1 HB2 GLN 62 - HB THR 92 lone 5 96 - 5 - Peak 9024 from aliabs.peaks (2.38, 1.16, 21.95 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.62: HG3 GLU 37 + QG2 THR 92 OK 34 100 - 34 - 4.4/10086=10...(8) HG3 MET 11 + QG2 THR 92 OK 32 92 - 35 - 3.3/10083=5, 8018/3.2=5...(11) HG2 GLN 25 + QG2 THR 92 OK 14 89 - 16 - 7069/3.9=3, 9202/10088=2...(5) Peak 9025 from aliabs.peaks (1.91, 1.16, 21.95 ppm; 3.59 A): 7 out of 10 assignments used, quality = 0.93: HB3 ARG 89 + QG2 THR 92 OK 65 92 - 71 - 3.0/8947=20, ~2858=13...(13) HB2 MET 59 + QG2 THR 92 OK 28 99 - 28 - 3.0/9033=5, 4.2/10097=4...(9) HB ILE 101 + QG2 THR 92 OK 26 99 - 27 - 10127/10088=11...(8) QE MET 68 + QG2 THR 92 OK 25 94 - 27 - 8451/3.2=4, 4.6/10084=4...(10) HB3 LEU 69 + QG2 THR 92 OK 21 100 - 22 - 9014/3.9=2, 9199/10088=2...(6) HB3 LYS 24 + QG2 THR 92 OK 20 85 - 23 - 3.0/10085=5, 3.7/9026=5...(8) HG3 PRO 12 + QG2 THR 92 OK 17 62 - 28 - 3.8/11578=10, 2.3/3006=5...(8) HB3 GLN 111 - QG2 THR 92 lone 6 85 - 7 - 1.8/10083=2 HB2 LYS 86 - QG2 THR 92 lone 4 68 - 6 - ~10050=2 HB2 GLN 62 - QG2 THR 92 lone 3 81 - 3 - Peak 9026 from aliabs.peaks (1.63, 1.16, 21.95 ppm; 3.11 A): 4 out of 7 assignments used, quality = 0.71: HB3 LEU 64 + QG2 THR 92 OK 55 100 - 55 - 3.2/9027=14, 1.8/1820=9...(14) HD2 LYS 24 + QG2 THR 92 OK 18 100 - 18 - 3.0/10100=3, 9021/2.1=2...(7) HG3 ARG 144 + QG2 THR 92 OK 13 77 - 17 - 9021/2.1=3, 3.0/10082=3...(7) HB2 LEU 87 + QG2 THR 92 OK 12 92 - 13 - 4.6/9005=2, 9021/2.1=2...(5) HG3 LYS 34 - QG2 THR 92 lone 9 100 - 9 - 9131/9031=3, 1851/9027=1 HG3 LYS 48 - QG2 THR 92 lone 6 68 - 9 - 1.8/10089=2, 10081/3.2=1 HG3 ARG 49 - QG2 THR 92 lone 4 68 - 6 - 3.0/10082=1 Peak 9027 from aliabs.peaks (0.87, 1.16, 21.95 ppm; 2.57 A): 3 out of 3 assignments used, quality = 0.69: QD1 LEU 64 + QG2 THR 92 OK 48 100 - 48 - 1852=12, 3.2/9026=7...(13) QG2 ILE 83 + QG2 THR 92 OK 30 98 - 30 - 2515/3.2=4, 9019/2.1=4...(11) HB3 LEU 42 + QG2 THR 92 OK 15 100 - 15 - 3.0/9074=3, 9019/2.1=2...(5) Peak 9028 from aliabs.peaks (0.77, 1.16, 21.95 ppm; 2.76 A): 5 out of 5 assignments used, quality = 0.87: QD1 LEU 72 + QG2 THR 92 OK 50 100 - 50 - 10230/3.2=8, 10229/3.0=8...(17) QD1 LEU 108 + QG2 THR 92 OK 41 100 - 41 - 9259/2.1=12, 10553/3.9=8...(10) QD2 LEU 108 + QG2 THR 92 OK 30 92 - 33 - ~9259=7, ~9259=3...(11) QG2 VAL 73 + QG2 THR 92 OK 25 96 - 26 - 8595=4, 8593/8979=4...(9) QD1 ILE 136 + QG2 THR 92 OK 17 89 - 19 - 2.5/9025=2, 9196/10088=2...(6) Peak 9029 from aliabs.peaks (0.34, 1.16, 21.95 ppm; 5.19 A): 3 out of 3 assignments used, quality = 0.91: QD1 ILE 91 + QG2 THR 92 OK 82 92 - 89 - 7073/3.9=26...(27) HG2 LYS 123 + QG2 THR 92 OK 30 98 - 31 - 3.7/10085=5, 8639/8636=2...(12) QD2 LEU 42 + QG2 THR 92 OK 29 62 - 46 - 2.1/9074=10, 3.1/9027=8...(15) Peak 9031 from aliabs.peaks (3.42, 1.16, 21.95 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.63: HD2 PRO 98 + QG2 THR 92 OK 63 99 - 63 - 4.6/9130=21, 3.8/9033=17...(11) HA THR 74 - QG2 THR 92 poor 9 89 - 11 - 8609/8947=2, 3.6/8625=2 HB3 TYR 112 - QG2 THR 92 lone 7 85 - 8 - 9111/10128=2...(3) Peak 9032 from aliabs.peaks (3.30, 1.16, 21.95 ppm; 4.46 A): 0 out of 1 assignment used, low quality = 0.11: HB3 TRP 17 - QG2 THR 92 OK 11 99 - 11 - 4.2/10086=7, 4.6/11281=3 Peak 9033 from aliabs.peaks (4.56, 1.16, 21.95 ppm; 4.15 A): 3 out of 5 assignments used, quality = 0.92: HA LEU 97 + QG2 THR 92 OK 84 100 - 84 - 3.7/9130=23...(20) HA MET 59 + QG2 THR 92 OK 33 98 - 34 - 4.6/10097=5, 3.0/9025=4...(12) HA PRO 98 + QG2 THR 92 OK 20 68 - 30 - 3.6/9031=19, 3224/9130=3...(6) HA ASN 130 - QG2 THR 92 poor 9 85 - 10 - 2.9/3005=3, ~3000=2...(4) HA GLU 28 - QG2 THR 92 lone 4 72 - 5 - Peak 9040 from aliabs.peaks (3.65, 4.22, 58.61 ppm; 5.86 A): 2 out of 3 assignments used, quality = 1.00: HA2 GLY 94 + HA LYS 93 OK 96 100 - 96 - 7108/3.6=34, ~7098=29...(18) HA THR 92 + HA LYS 93 OK 89 89 - 100 - 4.8=100 HD3 PRO 12 - HA LYS 93 poor 8 62 - 13 - 7084/2.9=3, 9086/10090=3...(5) Peak 9041 from aliabs.peaks (3.66, 1.41, 24.58 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.98: HA2 GLY 94 + HG3 LYS 93 OK 85 92 - 92 - ~7100=22, ~9054=19...(23) HA THR 92 + HG3 LYS 93 OK 84 99 - 85 - 3.6/3056=24, 4.8/3015=24...(19) HA ILE 83 - HG3 LYS 93 OK 22 68 - 32 - 9042/1.8=5, 9040/4.0=5...(10) Peak 9046 from aliabs.peaks (4.23, 3.96, 46.49 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.95: HA LYS 93 + HA3 GLY 94 OK 90 92 - 98 - ~7098=36, 3.0/9054=33...(20) HA ARG 141 + HA3 GLY 94 OK 32 94 - 33 - 10375=9, ~9051=7...(6) HA LYS 85 + HA3 GLY 94 OK 17 100 - 17 - 7099/3.0=5, 3023/9054=3 HB THR 102 + HA3 GLY 94 OK 12 100 - 12 - ~7099=5, 7099/3.0=2...(4) HA PHE 45 - HA3 GLY 94 lone 7 72 - 10 - ~6361=3, 7099/3.0=2 Peak 9053 from aliabs.peaks (0.77, 3.65, 46.49 ppm; 3.88 A): 3 out of 5 assignments used, quality = 0.82: QD1 LEU 72 + HA2 GLY 94 OK 69 100 - 69 - 8545/3.0=18, 9056/1.8=17...(11) QD1 ILE 136 + HA2 GLY 94 OK 33 98 - 34 - 9056/1.8=8, ~10458=8...(10) QD1 LEU 108 + HA2 GLY 94 OK 13 96 - 13 - 9056/1.8=4, ~9056=2...(5) QD2 LEU 108 - HA2 GLY 94 poor 9 77 - 12 - 9056/1.8=4, ~9056=2...(5) QG2 VAL 73 - HA2 GLY 94 lone 4 100 - 4 - 9056/1.8=2 Peak 9056 from aliabs.peaks (0.77, 3.96, 46.49 ppm; 4.12 A): 4 out of 5 assignments used, quality = 0.84: QD1 LEU 72 + HA3 GLY 94 OK 68 100 - 69 - 9053/1.8=21, 8545/3.0=20...(11) QD1 ILE 136 + HA3 GLY 94 OK 33 89 - 37 - 9053/1.8=10, ~10458=9...(8) QD1 LEU 108 + HA3 GLY 94 OK 15 100 - 15 - 9053/1.8=4, ~9048=2...(5) QD2 LEU 108 + HA3 GLY 94 OK 14 92 - 16 - 9053/1.8=3, ~9053=3...(7) QG2 VAL 73 - HA3 GLY 94 lone 7 96 - 8 - 11036/8825=2, 9053/1.8=1 Peak 9061 from aliabs.peaks (3.67, 4.28, 54.31 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.90: HA ILE 83 + HA LEU 95 OK 72 100 - 72 - 8833/3.0=14, 9067/4.0=12...(18) HA THR 92 + HA LEU 95 OK 64 94 - 67 - 9086/3.6=16, 9003/3.0=15...(17) Peak 9062 from aliabs.peaks (2.73, 4.28, 54.31 ppm; 5.10 A): 2 out of 10 assignments used, quality = 0.70: HB2 ASN 96 + HA LEU 95 OK 59 81 - 73 - 3174/3.6=32...(7) HB2 ASN 84 + HA LEU 95 OK 26 89 - 29 - 8852/4.0=8, 8852/3.9=5...(7) HB3 TYR 70 - HA LEU 95 lone 8 98 - 8 - 7131/3.6=3, 2.6/4696=3 HB3 MET 46 - HA LEU 95 lone 6 89 - 6 - 4.2/10942=4 HB3 GLU 120 - HA LEU 95 lone 5 92 - 6 - 4.6/9451=4 HG3 MET 113 - HA LEU 95 lone 4 62 - 7 - 7131/3.6=2, 10255/3.9=2 HB3 PHE 43 - HA LEU 95 lone 4 77 - 5 - 7131/3.6=2, 4.5/4818=1 HB2 ASN 54 - HA LEU 95 lone 3 81 - 4 - ~10437=1 HB3 ASP 16 - HA LEU 95 lone 2 85 - 2 - HB3 ASP 13 - HA LEU 95 lone 1 77 - 1 - Peak 9063 from aliabs.peaks (1.17, 4.28, 54.31 ppm; 5.60 A): 4 out of 5 assignments used, quality = 0.84: QG2 THR 92 + HA LEU 95 OK 59 77 - 76 - 3.2/9061=20, 9089/3.6=17...(17) QD1 LEU 69 + HA LEU 95 OK 31 85 - 36 - 9074/4.0=8, 9089/3.6=7...(9) HB2 LEU 72 + HA LEU 95 OK 31 77 - 40 - ~9913=9, 9058/3.0=7...(12) HG2 LYS 76 + HA LEU 95 OK 19 99 - 19 - 9089/3.6=7, 9058/3.0=3...(4) QG2 THR 18 - HA LEU 95 lone 2 68 - 2 - Peak 9064 from aliabs.peaks (3.65, 1.76, 26.21 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.96: HA2 GLY 94 + HG LEU 95 OK 71 100 - 71 - 7113/5.2=29, ~9066=21...(10) HA THR 92 + HG LEU 95 OK 67 89 - 75 - 9003/5.2=18, 9016/3.0=16...(15) HD3 PRO 12 + HG LEU 95 OK 54 62 - 87 - 11415/3.0=13, 1.8/53=13...(21) HA THR 92 - HG LEU 66 OK 43 76 - 56 - ~9891=14, ~9857=14...(7) HD3 PRO 12 - HG LEU 66 OK 21 51 - 40 - 3.6/69=5, ~1918=5...(12) HA2 GLY 94 - HG LEU 66 lone 8 89 - 9 - 9053/10759=2 Peak 9066 from aliabs.peaks (4.00, 0.83, 26.88 ppm; 4.00 A): 7 out of 18 assignments used, quality = 0.91: HA LEU 69 + QD1 LEU 95 OK 49 100 - 49 - 8468/2.1=9, ~9930=7...(15) HA LEU 69 + HG LEU 42 OK 41 93 - 44 - 3.9/10097=6, ~946=6...(12) HB3 SER 138 + QD1 LEU 95 OK 27 94 - 29 - ~10345=5, 3.0/3160=3...(14) HB2 SER 138 + QD1 LEU 95 OK 27 92 - 29 - ~10345=5, 3.0/3160=3...(14) HB3 SER 127 + QD1 LEU 95 OK 26 89 - 29 - 1.8/10363=13...(6) HA GLU 122 + QD1 LEU 95 OK 16 94 - 17 - ~9460=5, 3.0/10118=3...(5) HB3 SER 127 + HG LEU 42 OK 12 80 - 15 - 1.8/10363=7, 4.7/10366=6 HA LYS 114 - HG LEU 42 lone 8 91 - 9 - ~8145=3, ~8154=3 HA GLU 122 - HG LEU 42 lone 8 86 - 9 - 4.9/10114=2, 3.0/10118=2 HB3 SER 138 - HG LEU 42 lone 7 86 - 9 - 9723/3.0=2, ~9723=2 HB2 SER 138 - HG LEU 42 lone 7 84 - 9 - 9723/3.0=3, ~9723=2 HA MET 113 - QD1 LEU 95 lone 6 94 - 7 - ~9316=2, 9318/2.1=1 HA LYS 114 - QD1 LEU 95 lone 5 98 - 5 - HB3 SER 100 - QD1 LEU 95 lone 4 94 - 4 - 10166/8847=1 HA MET 113 - HG LEU 42 lone 3 86 - 4 - HB3 SER 100 - HG LEU 42 lone 3 86 - 3 - HB2 SER 103 - QD1 LEU 95 lone 3 94 - 3 - 1.8/9066=1 HB2 SER 103 - HG LEU 42 lone 2 86 - 2 - Peak 9067 from aliabs.peaks (3.67, 0.83, 26.88 ppm; 3.56 A): 5 out of 6 assignments used, quality = 0.90: HA THR 92 + QD1 LEU 95 OK 47 100 - 48 - 9016/3.1=8, 3.2/9074=8...(12) HA ILE 83 + QD1 LEU 95 OK 46 89 - 52 - 9061/4.0=11, 2499/2.1=5...(18) HA ILE 83 + HG LEU 42 OK 31 80 - 38 - ~10016=5, 2500/3.0=4...(16) HA2 GLY 94 + QD1 LEU 95 OK 30 72 - 42 - 3.5/7120=18, 1.8/9066=12...(9) HA THR 92 + HG LEU 42 OK 30 95 - 31 - 3.2/9074=6, ~9029=4...(14) HA2 GLY 94 - HG LEU 42 poor 9 64 - 14 - 3.5/7120=8, 1.8/9066=3 Peak 9069 from aliabs.peaks (3.12, 0.83, 26.88 ppm; 5.35 A): 3 out of 14 assignments used, quality = 0.96: HB3 ASN 96 + QD1 LEU 95 OK 79 100 - 79 - 3.9/7129=27...(14) HA TYR 119 + HG LEU 42 OK 66 73 - 91 - ~9420=32, 9421/2.1=32...(13) HB3 ASN 96 + HG LEU 42 OK 45 95 - 47 - 3.9/7129=15, 8150/2.1=13...(10) HD2 ARG 109 - HG LEU 42 OK 25 93 - 26 - 8150/2.1=9, ~11060=7, ~10237=6 HD2 ARG 145 - QD1 LEU 95 OK 22 100 - 22 - 11646/4.0=4, 8150/950=1...(4) HD3 ARG 145 - QD1 LEU 95 OK 22 100 - 22 - 11646/4.0=4, 8150/950=1...(4) HD3 ARG 145 - HG LEU 42 OK 21 95 - 22 - 8150/2.1=6, ~8150=6...(5) HD2 ARG 145 - HG LEU 42 OK 21 95 - 22 - 8150/2.1=7, ~8150=6...(5) HD2 ARG 109 - QD1 LEU 95 OK 19 100 - 19 - ~9275=4, 11646/4.0=2...(5) HA TYR 119 - QD1 LEU 95 OK 11 81 - 14 - 9421/950=6, 10012/9067=1...(4) HA ALA 105 - HG LEU 42 poor 9 73 - 13 - 8150/2.1=5, ~9220=2...(4) HA ALA 105 - QD1 LEU 95 lone 6 81 - 7 - 9198/10096=1, 9011/9074=1 HB3 PHE 106 - QD1 LEU 95 lone 5 94 - 6 - ~9979=1, 3.0/9066=1 HB3 PHE 106 - HG LEU 42 lone 3 86 - 4 - Peak 9070 from aliabs.peaks (2.76, 0.83, 26.88 ppm; 5.73 A): 10 out of 14 assignments used, quality = 0.93: HE3 LYS 76 + HG LEU 42 OK 42 93 - 44 - ~8666=11, ~8663=10...(9) HE2 LYS 76 + HG LEU 42 OK 37 84 - 44 - ~8666=11, ~8663=10...(9) HB2 ASP 41 + HG LEU 42 OK 34 84 - 41 - 4.5/6314=23, ~8148=14 HE2 LYS 114 + HG LEU 42 OK 21 95 - 23 - ~8145=5, 8148/2.1=4...(6) HB3 ASP 137 + HG LEU 42 OK 19 89 - 22 - ~10920=5, ~11379=4...(7) HB2 ASP 41 + QD1 LEU 95 OK 18 92 - 20 - 4.5/6314=15, 8148/950=2 HB3 ASP 137 + QD1 LEU 95 OK 18 96 - 19 - ~9703=4, 9707/9624=3...(8) HE3 LYS 76 + QD1 LEU 95 OK 11 100 - 11 - 3.9/9074=3, 8148/950=1 HB2 PHE 38 + HG LEU 42 OK 11 94 - 11 - ~10739=6, ~8930=2 HE2 LYS 114 + QD1 LEU 95 OK 10 100 - 10 - HE2 LYS 76 - QD1 LEU 95 poor 10 92 - 10 - 3.9/9074=3, 8148/950=1 HB2 PHE 38 - QD1 LEU 95 lone 6 100 - 6 - 9062/4.0=1 HB3 ASP 40 - HG LEU 42 lone 3 73 - 4 - HB3 ASP 40 - QD1 LEU 95 lone 3 81 - 4 - Peak 9071 from aliabs.peaks (2.42, 0.83, 26.88 ppm; 4.34 A): 4 out of 20 assignments used, quality = 0.94: QE MET 46 + HG LEU 42 OK 66 89 - 74 - 10701/2.1=39, ~10708=15...(10) HB ILE 91 + HG LEU 42 OK 57 77 - 74 - ~8154=10, ~8145=9...(22) HG2 MET 68 + QD1 LEU 95 OK 43 62 - 69 - ~10095=22, 8428/2.1=9...(25) HB ILE 91 + QD1 LEU 95 OK 34 85 - 40 - ~9075=17, 4.0/3159=5...(11) QE MET 46 - QD1 LEU 95 OK 15 96 - 15 - 10701/950=6, 10495/958=2...(4) HB3 PRO 118 - QD1 LEU 95 OK 11 100 - 11 - 11414/4.0=2 HB3 PRO 118 - HG LEU 42 poor 10 95 - 10 - 8147/2.1=4, 1.8/9072=1, ~11705=1 HG3 MET 59 - HG LEU 42 poor 6 55 - 10 - ~8147=2, 8147/2.1=1, ~8299=1 HG3 GLN 133 - QD1 LEU 95 lone 4 99 - 4 - HG2 MET 68 - HG LEU 42 lone 4 55 - 8 - 1982/5.1=2, 10942/3125=1 HG2 GLN 133 - QD1 LEU 95 lone 4 98 - 4 - HG2 GLN 47 - QD1 LEU 95 lone 3 89 - 3 - HG3 GLN 47 - QD1 LEU 95 lone 3 89 - 3 - HG3 GLN 25 - HG LEU 42 lone 3 55 - 5 - 8147/2.1=3, ~8163=1 HG3 GLN 133 - HG LEU 42 lone 2 92 - 3 - HG2 GLN 133 - HG LEU 42 lone 2 91 - 3 - HG3 GLN 47 - HG LEU 42 lone 2 80 - 2 - HG2 GLN 47 - HG LEU 42 lone 2 80 - 2 - HG3 MET 59 - QD1 LEU 95 lone 1 62 - 2 - HG3 GLN 25 - QD1 LEU 95 lone 1 62 - 2 - Peak 9072 from aliabs.peaks (1.93, 0.83, 26.88 ppm; 3.78 A): 4 out of 22 assignments used, quality = 0.96: HG13 ILE 83 + QD1 LEU 95 OK 64 100 - 64 - 3.8/9067=9, 10761/3.1=7...(26) HG3 PRO 12 + QD1 LEU 95 OK 64 94 - 68 - ~8732=10, 101/2.1=9...(23) HB2 LYS 86 + QD1 LEU 95 OK 48 92 - 52 - 2687/3.1=7, 3.5/3162=5...(22) HG13 ILE 83 + HG LEU 42 OK 46 95 - 49 - ~10016=6, 3.8/9067=6...(20) QE MET 68 - QD1 LEU 95 OK 26 62 - 41 - ~10095=10, ~8428=6...(13) HB ILE 136 - QD1 LEU 95 OK 22 98 - 23 - ~10759=2, ~11135=2...(7) HB3 LEU 132 - QD1 LEU 95 OK 18 92 - 19 - 3.0/9073=3, ~8741=3...(8) HB2 ARG 140 - QD1 LEU 95 OK 12 100 - 12 - HB ILE 136 - HG LEU 42 OK 12 91 - 13 - ~957=1 HB2 PRO 118 - HG LEU 42 OK 10 95 - 11 - ~8147=4, ~8147=3, 1.8/9071=1 HB2 ARG 89 - QD1 LEU 95 lone 10 100 - 10 - 2862/3.1=1 HB2 PRO 118 - QD1 LEU 95 lone 7 100 - 7 - 1.8/9071=1 QE MET 68 - HG LEU 42 lone 4 55 - 8 - 1998/5.1=2 HB2 LYS 86 - HG LEU 42 lone 4 84 - 5 - 2687/3141=1 HB2 ARG 89 - HG LEU 42 lone 4 93 - 4 - ~8948=1 HG3 PRO 12 - HG LEU 42 lone 3 86 - 4 - 101/3149=1 HB2 ARG 140 - HG LEU 42 lone 3 93 - 3 - HB3 LEU 132 - HG LEU 42 lone 3 84 - 3 - HB3 PRO 52 - QD1 LEU 95 lone 1 94 - 1 - HG2 PRO 52 - QD1 LEU 95 lone 1 92 - 1 - HB3 PRO 52 - HG LEU 42 lone 1 86 - 1 - HG2 PRO 52 - HG LEU 42 lone 1 84 - 1 - Peak 9073 from aliabs.peaks (1.39, 0.83, 26.88 ppm; 4.03 A): 5 out of 18 assignments used, quality = 0.96: HG LEU 116 + HG LEU 42 OK 61 73 - 84 - ~9392=27, ~9391=22...(15) HG2 LYS 86 + QD1 LEU 95 OK 59 100 - 60 - 2709/3.1=10, 11558/2.1=7...(19) HB2 LEU 69 + HG LEU 42 OK 40 80 - 50 - 3.2/10097=8, 3.2/9074=7...(12) HB2 LEU 69 + QD1 LEU 95 OK 40 89 - 45 - 3.2/10097=6, 1.8/8470=6...(14) HB VAL 82 + HG LEU 42 OK 33 95 - 35 - ~8813=26, ~8812=10 HB VAL 82 - QD1 LEU 95 OK 18 100 - 18 - ~9941=6, ~9982=5...(5) HG LEU 132 - QD1 LEU 95 OK 15 62 - 24 - ~8741=4, ~10423=3...(10) HB2 ARG 35 - QD1 LEU 95 OK 11 72 - 15 - 11558/2.1=2, 596/2.1=1 HB2 ARG 109 - QD1 LEU 95 OK 11 100 - 11 - ~9271=3, 11005/2.1=1 HG2 ARG 49 - QD1 LEU 95 lone 9 99 - 9 - 1266/4.0=1, 3.9/3160=1 HG LEU 116 - QD1 LEU 95 poor 9 81 - 11 - 2.1/10116=3, 11029/950=2...(4) HG2 LYS 86 - HG LEU 42 lone 7 94 - 7 - 2709/3141=2 HB2 ARG 109 - HG LEU 42 lone 5 93 - 6 - 3.6/9069=1 HG2 ARG 49 - HG LEU 42 lone 5 92 - 5 - HG2 LYS 36 - QD1 LEU 95 lone 3 85 - 4 - HG LEU 132 - HG LEU 42 lone 2 55 - 4 - HB2 ARG 35 - HG LEU 42 lone 2 64 - 3 - HG2 LYS 36 - HG LEU 42 lone 2 77 - 2 - Peak 9074 from aliabs.peaks (1.16, 0.83, 26.88 ppm; 3.00 A): 4 out of 6 assignments used, quality = 0.66: QG2 THR 92 + QD1 LEU 95 OK 30 100 - 30 - 3.2/9067=4, 9058/4.8=4...(13) HG LEU 64 + HG LEU 42 OK 26 80 - 32 - ~8156=6, 2.1/941=4...(13) QG2 THR 92 + HG LEU 42 OK 22 95 - 23 - 9027/3.0=4...(6) HG2 LYS 76 + HG LEU 42 OK 18 86 - 20 - 8658/2.1=7, ~8666=3...(6) HG LEU 64 - QD1 LEU 95 poor 10 89 - 11 - 2.1/941=1, 11018/2.1=1, ~10988=1 HG2 LYS 76 - QD1 LEU 95 lone 7 94 - 8 - 9058/4.8=1 Peak 9075 from aliabs.peaks (3.69, 0.80, 22.82 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.53: HA ILE 83 + QD2 LEU 95 OK 38 72 - 53 - 9061/3.9=13, 9067/2.1=7...(21) HA ILE 83 + QD1 LEU 79 OK 24 62 - 39 - 2501/2.1=4, 8824/9941=4...(16) Peak 9078 from aliabs.peaks (0.86, 3.12, 36.78 ppm; 6.42 A): 4 out of 4 assignments used, quality = 0.91: QD2 LEU 97 + HB3 ASN 96 OK 65 77 - 84 - 5.0/3187=33...(9) QG2 ILE 83 + HB3 ASN 96 OK 50 100 - 50 - 10100/1.8=12, 7159/4.7=9...(15) HB3 LEU 42 + HB3 ASN 96 OK 34 96 - 36 - 3.2/8150=13, 10100/1.8=8...(6) QD1 LEU 64 + HB3 ASN 96 OK 23 98 - 23 - 7159/4.7=6, 10100/1.8=4...(7) Peak 9082 from aliabs.peaks (1.65, 4.38, 53.63 ppm; 6.80 A): 3 out of 11 assignments used, quality = 0.81: HB2 LEU 95 + HA ASN 96 OK 72 72 - 99 - 4.6/3167=50...(21) HD3 LYS 93 + HA ASN 96 OK 24 77 - 31 - 4.9/9085=21, ~7125=7, ~9079=2 HG2 ARG 124 + HA ASN 96 OK 13 100 - 13 - 11070/9083=3, 7125/3.0=2...(4) HB VAL 71 - HA ASN 96 poor 10 72 - 13 - ~8504=4, ~8505=2...(4) HG13 ILE 136 - HA ASN 96 poor 9 68 - 14 - ~9670=3, ~11132=2...(4) HB3 LEU 26 - HA ASN 96 lone 8 96 - 8 - ~9077=2, ~7126=2, 10659/9084=1 HD2 LYS 48 - HA ASN 96 poor 8 72 - 10 - ~7125=2, 3017/9085=2...(4) HG2 ARG 140 - HA ASN 96 lone 7 100 - 7 - 10659/9084=2 HB2 LYS 114 - HA ASN 96 lone 5 100 - 5 - HB2 PRO 57 - HA ASN 96 lone 5 98 - 6 - 10659/9084=1 HG2 ARG 89 - HA ASN 96 lone 4 72 - 6 - Peak 9083 from aliabs.peaks (0.79, 4.38, 53.63 ppm; 5.61 A): 2 out of 6 assignments used, quality = 0.96: QD2 LEU 95 + HA ASN 96 OK 92 100 - 92 - 7128/3.0=26...(14) QD1 LEU 79 + HA ASN 96 OK 55 98 - 56 - 7128/3.0=14...(12) QG2 THR 74 - HA ASN 96 OK 22 96 - 22 - 7128/3.0=5, 11419/3.6=5...(5) QD2 LEU 72 - HA ASN 96 OK 11 100 - 11 - ~9089=4, 11419/3.6=2 QD2 LEU 126 - HA ASN 96 poor 8 72 - 10 - 7128/3.0=3, 10120/3.0=3...(4) QG1 VAL 80 - HA ASN 96 poor 7 72 - 10 - 10120/3.0=2, 8757/3.0=2...(4) Peak 9084 from aliabs.peaks (0.88, 4.38, 53.63 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.72: QG2 ILE 83 + HA ASN 96 OK 45 81 - 55 - ~9086=14, ~7127=12...(14) HB3 LEU 42 + HA ASN 96 OK 43 94 - 45 - ~7129=14, ~10119=12...(9) QD1 LEU 64 + HA ASN 96 OK 11 92 - 12 - 9078/3.0=3, 9019/9085=2...(4) QG2 ILE 56 - HA ASN 96 lone 3 68 - 5 - Peak 9085 from aliabs.peaks (4.24, 4.38, 53.63 ppm; 3.91 A): 4 out of 6 assignments used, quality = 0.69: HB THR 92 + HA ASN 96 OK 39 81 - 48 - 9099/3.6=11...(8) HB THR 102 + HA ASN 96 OK 24 94 - 26 - 3.0/9085=6, 10122/3.0=5...(7) HA ARG 141 + HA ASN 96 OK 22 100 - 22 - 9099/3.6=8, 10122/3.0=7...(5) HA2 GLY 50 + HA ASN 96 OK 14 68 - 21 - 2.9/3173=6, 10102/3.0=4...(7) HA LYS 85 - HA ASN 96 poor 9 89 - 10 - 8862/3.0=3, 11692/3.0=2...(5) HA GLU 142 - HA ASN 96 lone 9 89 - 9 - 10122/3.0=3, 10123/3.0=3 Peak 9106 from aliabs.peaks (4.25, 1.26, 41.43 ppm; 4.93 A): 3 out of 5 assignments used, quality = 1.00: HB THR 92 + HB3 LEU 97 OK 98 100 - 98 - 2.1/10105=29, ~10104=25...(26) HA ARG 141 + HB3 LEU 97 OK 63 81 - 77 - 9109/1.8=12, 3.8/3206=10...(26) HA2 GLY 50 + HB3 LEU 97 OK 58 98 - 60 - 2.9/3202=12, ~3195=10...(13) HA GLU 142 - HB3 LEU 97 OK 34 100 - 34 - ~7854=5, 9113/3.2=5...(12) HA ALA 135 - HB3 LEU 97 OK 16 72 - 21 - ~10444=4, ~10319=4...(8) Peak 9108 from aliabs.peaks (3.42, 1.26, 41.43 ppm; 5.40 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 98 + HB3 LEU 97 OK 100 100 - 100 - 4.8=100 HB3 TYR 112 - HB3 LEU 97 OK 35 68 - 52 - 2.9/10106=13...(10) HA THR 74 - HB3 LEU 97 OK 13 72 - 17 - 9111/1.8=3, 3231/3.0=3...(7) Peak 9109 from aliabs.peaks (4.24, 1.60, 41.43 ppm; 4.65 A): 3 out of 6 assignments used, quality = 0.98: HB THR 92 + HB2 LEU 97 OK 79 81 - 97 - 2.1/10104=31, ~10105=20...(24) HA ARG 141 + HB2 LEU 97 OK 78 100 - 78 - 9106/1.8=12, 4773/3.0=11...(26) HB THR 102 + HB2 LEU 97 OK 64 94 - 67 - 3376/1.8=10, 9122/3.1=9...(23) HA2 GLY 50 - HB2 LEU 97 OK 33 68 - 49 - 2.9/3195=12, ~3202=8...(12) HA GLU 142 - HB2 LEU 97 OK 28 89 - 32 - 2.9/7853=5, 9106/1.8=4...(12) HA LYS 85 - HB2 LEU 97 lone 9 89 - 10 - 3.6/11672=5, 9122/3.1=2 Peak 9110 from aliabs.peaks (3.89, 1.60, 41.43 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HD3 PRO 98 + HB2 LEU 97 OK 100 100 - 100 - 4.8=100 Peak 9111 from aliabs.peaks (3.42, 1.60, 41.43 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 98 + HB2 LEU 97 OK 100 100 - 100 - 4.8=100 HB3 TYR 112 - HB2 LEU 97 OK 33 68 - 50 - ~10106=10, 9108/1.8=10...(9) HA THR 74 - HB2 LEU 97 OK 12 72 - 16 - 9108/1.8=4, 3231/3.0=3...(6) Peak 9112 from aliabs.peaks (6.85, 0.85, 22.49 ppm; 4.67 A): 0 out of 2 assignments used, low quality = 0.14: HZ2 TRP 88 - QD2 LEU 97 OK 14 77 - 18 - 2.8/8923=8, 8834/9124=3...(5) QD PHE 67 - QD2 LEU 97 lone 4 77 - 5 - Peak 9113 from aliabs.peaks (4.25, 0.89, 26.03 ppm; 3.53 A): 3 out of 5 assignments used, quality = 0.95: HB THR 92 + QD1 LEU 97 OK 87 100 - 87 - 2.1/9130=27, 9019=16...(24) HA ARG 141 + QD1 LEU 97 OK 39 72 - 55 - 3.0/10132=10, 3.8/3227=6...(22) HA2 GLY 50 + QD1 LEU 97 OK 36 100 - 36 - 2.9/3223=8, ~3216=4...(11) HA GLU 142 - QD1 LEU 97 OK 22 100 - 22 - 3.0/9129=3, ~7854=3...(10) HA ALA 135 - QD1 LEU 97 OK 15 81 - 18 - 2.1/10444=5, 10948/2.1=2...(7) Peak 9115 from aliabs.peaks (3.89, 0.89, 26.03 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.98: HD3 PRO 98 + QD1 LEU 97 OK 98 98 - 100 - 4.6=89, 1.8/9117=39...(26) Peak 9116 from aliabs.peaks (3.66, 0.89, 26.03 ppm; 3.54 A): 3 out of 3 assignments used, quality = 0.90: HA THR 92 + QD1 LEU 97 OK 80 100 - 80 - 3.2/9130=21, 9124/2.1=17...(25) HA ILE 83 + QD1 LEU 97 OK 37 85 - 43 - 9124/2.1=10, 3.2/3228=7...(16) HA2 GLY 94 + QD1 LEU 97 OK 24 77 - 31 - 3.5/9103=8, 9124/2.1=7...(9) Peak 9117 from aliabs.peaks (3.43, 0.89, 26.03 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.89: HD2 PRO 98 + QD1 LEU 97 OK 89 89 - 100 - 4.6=86, 1.8/9115=38...(29) Peak 9122 from aliabs.peaks (4.22, 0.85, 22.49 ppm; 3.79 A): 4 out of 7 assignments used, quality = 0.90: HA THR 102 + QD2 LEU 97 OK 52 100 - 53 - 3371/3.1=8, ~10134=7...(23) HA ILE 101 + QD2 LEU 97 OK 52 100 - 52 - 3.0/10108=10, 3.2/3222=7...(21) HA LYS 93 + QD2 LEU 97 OK 35 94 - 37 - 4.8/9124=11...(10) HA ALA 134 + QD2 LEU 97 OK 32 100 - 32 - 9651=20, 2.1/9624=9...(4) HA PHE 45 - QD2 LEU 97 lone 7 100 - 7 - 4.8/9123=3 HA PHE 67 - QD2 LEU 97 lone 5 72 - 7 - 3.7/9112=4, ~11232=2 HA LYS 85 - QD2 LEU 97 lone 5 62 - 8 - 3.6/8869=2, 4.0/11006=2 Peak 9123 from aliabs.peaks (3.90, 0.85, 22.49 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.94: HD3 PRO 98 + QD2 LEU 97 OK 92 100 - 93 - 1.8/9125=34, 9115/2.1=20...(24) HA MET 46 + QD2 LEU 97 OK 19 77 - 25 - 9107/3.1=6, 9110/3.1=5...(7) Peak 9124 from aliabs.peaks (3.66, 0.85, 22.49 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.94: HA THR 92 + QD2 LEU 97 OK 90 96 - 93 - 9116/2.1=24, 9017=16...(30) HA2 GLY 94 + QD2 LEU 97 OK 39 96 - 40 - 3.5/10137=13, 9116/2.1=7...(9) Peak 9125 from aliabs.peaks (3.42, 0.85, 22.49 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.93: HD2 PRO 98 + QD2 LEU 97 OK 91 98 - 93 - 1.8/9123=31, 3.8/3193=20...(25) HB3 TYR 112 + QD2 LEU 97 OK 22 89 - 24 - 9108/3.1=5, 9111/3.1=4...(8) HA THR 74 - QD2 LEU 97 lone 6 92 - 7 - 9108/3.1=1, 3231/4.1=1 Peak 9126 from aliabs.peaks (3.10, 0.85, 22.49 ppm; 4.62 A): 0 out of 3 assignments used, low quality = 0.15: HA ALA 105 - QD2 LEU 97 OK 15 98 - 15 - 9223/3.1=4, ~9220=3...(4) HD2 ARG 109 - QD2 LEU 97 poor 9 72 - 13 - ~10237=4, 10737/9112=2...(4) HA TYR 119 - QD2 LEU 97 lone 6 98 - 6 - 3983/10045=1 Peak 9127 from aliabs.peaks (2.37, 0.85, 22.49 ppm; 3.91 A): 0 out of 4 assignments used, low quality = 0.22: HG3 MET 11 - QD2 LEU 97 OK 22 98 - 22 - 3.3/10130=6, ~9129=4...(6) HG2 GLN 25 - QD2 LEU 97 lone 9 99 - 9 - 9128/2.1=2, ~11424=2 HG3 GLU 37 - QD2 LEU 97 poor 6 62 - 10 - 8328/11586=2...(5) HB2 GLN 47 - QD2 LEU 97 lone 4 85 - 5 - Peak 9128 from aliabs.peaks (2.38, 0.89, 26.03 ppm; 4.12 A): 3 out of 4 assignments used, quality = 0.67: HG2 MET 59 + QD1 LEU 97 OK 49 68 - 72 - 9127/2.1=25, ~10107=9...(21) HG3 MET 11 + QD1 LEU 97 OK 25 81 - 31 - 3.3/9129=8, 9127/2.1=6...(7) HG3 GLU 37 + QD1 LEU 97 OK 15 100 - 15 - 9024/9130=4...(5) HG2 GLN 25 - QD1 LEU 97 poor 8 77 - 10 - 9127/2.1=3, ~11424=2...(4) Peak 9129 from aliabs.peaks (1.99, 0.89, 26.03 ppm; 3.51 A): 4 out of 10 assignments used, quality = 0.68: HB ILE 56 + QD1 LEU 97 OK 38 100 - 38 - 9129=7, 3.2/1481=3...(18) QE MET 11 + QD1 LEU 97 OK 32 96 - 33 - 10130/2.1=7, ~9127=6...(8) HB2 GLU 142 + QD1 LEU 97 OK 14 96 - 15 - 3.0/9113=3, 10130/2.1=2...(4) HB2 GLN 111 + QD1 LEU 97 OK 11 98 - 11 - 10130/2.1=2, 11023=2 HB VAL 63 - QD1 LEU 97 poor 8 62 - 13 - ~11455=3, ~9870=2, 10097/9130=1 QE MET 113 - QD1 LEU 97 poor 7 62 - 11 - 9332=3, 10130/2.1=2, 9335/3.2=1 HB3 ARG 124 - QD1 LEU 97 lone 7 99 - 7 - 9129=2 HB3 GLU 90 - QD1 LEU 97 lone 5 62 - 8 - 3.0/8958=3, 10130/2.1=1 HB3 GLU 75 - QD1 LEU 97 lone 5 81 - 6 - 10097/9130=2 HG3 PRO 52 - QD1 LEU 97 lone 4 81 - 5 - Peak 9130 from aliabs.peaks (1.16, 0.89, 26.03 ppm; 2.91 A): 3 out of 3 assignments used, quality = 0.84: QG2 THR 92 + QD1 LEU 97 OK 75 100 - 75 - 9027=11, 2.1/9113=10...(28) HG LEU 64 + QD1 LEU 97 OK 23 81 - 28 - 2.1/3228=5, 10105/3.2=4...(11) HG2 LYS 76 + QD1 LEU 97 OK 16 98 - 16 - 3.0/11585=3, 10104/3.2=3...(5) Peak 9131 from aliabs.peaks (1.64, 3.42, 50.11 ppm; 4.05 A): 4 out of 5 assignments used, quality = 0.90: HG3 LYS 34 + HD2 PRO 98 OK 75 89 - 84 - 1.8/9138=16, ~10112=9...(45) HB3 LEU 64 + HD2 PRO 98 OK 46 89 - 52 - 3.2/9133=10, ~9142=9...(12) HD2 LYS 24 + HD2 PRO 98 OK 14 89 - 15 - 3.0/9145=4, ~9146=3...(5) HB3 LEU 26 + HD2 PRO 98 OK 12 89 - 14 - 10113/2.3=4, 1.8/3238=1 HB2 LYS 114 - HD2 PRO 98 lone 2 72 - 3 - 10113/2.3=1 Peak 9132 from aliabs.peaks (1.24, 3.42, 50.11 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.94: HG12 ILE 101 + HD2 PRO 98 OK 78 81 - 96 - 2.1/9175=38, ~9173=27...(24) HG2 LYS 61 + HD2 PRO 98 OK 50 77 - 65 - 9136/1.8=6, 9143/2.3=6...(32) HB3 LEU 87 + HD2 PRO 98 OK 41 94 - 44 - 3.0/9145=10, ~9146=6...(12) HG12 ILE 58 - HD2 PRO 98 OK 17 100 - 17 - ~8275=4, 8305/3.0=2...(8) HG13 ILE 58 - HD2 PRO 98 OK 16 99 - 16 - ~8275=4, 8305/3.0=2...(9) Peak 9133 from aliabs.peaks (0.86, 3.42, 50.11 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.92: QD2 LEU 97 + HD2 PRO 98 OK 71 81 - 88 - 9125=28, 9123/1.8=18...(24) QD1 LEU 64 + HD2 PRO 98 OK 47 96 - 49 - 9142/2.3=9, 9137/1.8=8...(18) QG2 ILE 83 + HD2 PRO 98 OK 47 100 - 47 - 9142/2.3=8, 9137/1.8=8...(14) HB3 LEU 42 - HD2 PRO 98 lone 4 94 - 4 - Peak 9134 from aliabs.peaks (1.62, 3.89, 50.11 ppm; 4.29 A): 4 out of 9 assignments used, quality = 0.99: HG3 LYS 34 + HD3 PRO 98 OK 86 94 - 91 - 9131/1.8=22, ~9138=14...(45) HG3 ARG 49 + HD3 PRO 98 OK 66 94 - 70 - 1.8/8195=24, 3.0/8193=18...(20) HB3 LEU 64 + HD3 PRO 98 OK 54 94 - 57 - 8368/2.3=10, ~9142=10...(16) HB2 LEU 87 + HD3 PRO 98 OK 46 100 - 46 - 3.0/9146=10, ~9145=7...(9) HD2 LYS 24 - HD3 PRO 98 OK 17 94 - 18 - 3.0/9146=5, 9131/1.8=4...(5) HG3 LYS 48 - HD3 PRO 98 OK 16 94 - 16 - 4.9/6433=5, 3225/4.6=2...(6) HG2 ARG 141 - HD3 PRO 98 poor 8 62 - 13 - 3225/4.6=3, 3190/3.8=2...(5) HG3 ARG 144 - HD3 PRO 98 lone 7 98 - 7 - 1270/8195=1 HG LEU 108 - HD3 PRO 98 lone 6 68 - 9 - 9802=2 Peak 9135 from aliabs.peaks (1.49, 3.89, 50.11 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 101 + HD3 PRO 98 OK 100 100 - 100 - ~9175=50, ~9175=49...(28) HG2 LYS 34 + HD3 PRO 98 OK 61 62 - 98 - ~9131=35, ~9131=25...(44) HB3 LEU 29 - HD3 PRO 98 OK 19 89 - 21 - 11421/4.8=10, 9141/3.0=4...(5) HD3 LYS 114 - HD3 PRO 98 OK 15 100 - 15 - 11421/4.8=3, 3365/9173=2...(5) QB ALA 134 - HD3 PRO 98 OK 13 89 - 14 - 9624/9123=5, 3365/9173=4 Peak 9136 from aliabs.peaks (1.25, 3.89, 50.11 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.98: HB3 LEU 97 + HD3 PRO 98 OK 85 85 - 100 - 4.8=67, 3.1/9123=28...(38) HG2 LYS 61 + HD3 PRO 98 OK 62 100 - 63 - 9143/2.3=8, 9132/1.8=6...(30) HG3 LYS 61 + HD3 PRO 98 OK 58 92 - 63 - 9143/2.3=8, ~9132=7...(31) QG2 THR 99 - HD3 PRO 98 OK 28 68 - 41 - 9156/3.6=9, 9156/3.8=7...(11) HG13 ILE 58 - HD3 PRO 98 OK 16 94 - 17 - ~8275=4, 9143/2.3=2...(8) HB2 LEU 132 - HD3 PRO 98 OK 15 81 - 18 - 9593/4.6=3, 3191/3.8=2...(7) HG12 ILE 58 - HD3 PRO 98 OK 12 72 - 17 - ~8275=4, ~9132=2...(8) QG2 THR 102 - HD3 PRO 98 poor 8 62 - 14 - 9191/4.6=3, 3191/3.8=2...(6) Peak 9137 from aliabs.peaks (0.88, 3.89, 50.11 ppm; 3.32 A): 4 out of 5 assignments used, quality = 0.84: QG2 ILE 101 + HD3 PRO 98 OK 56 68 - 84 - 3.1/9173=20, ~9175=13...(32) QD1 LEU 64 + HD3 PRO 98 OK 36 85 - 42 - 9142/2.3=14, 9133/1.8=9...(11) QG2 ILE 83 + HD3 PRO 98 OK 28 72 - 39 - 9142/2.3=12, 9133/1.8=8...(11) QG2 ILE 56 + HD3 PRO 98 OK 21 77 - 27 - 9133/1.8=6, 8304/3.0=4...(12) HB3 LEU 42 - HD3 PRO 98 lone 4 89 - 5 - 9142/2.3=1 Peak 9138 from aliabs.peaks (1.51, 3.42, 50.11 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.94: HG2 LYS 34 + HD2 PRO 98 OK 91 96 - 94 - 1.8/9131=34, 9141/3.0=12...(45) HB2 LYS 123 + HD2 PRO 98 OK 40 100 - 40 - 3.7/10138=10, 4.8/3235=6...(8) HG3 PRO 57 - HD2 PRO 98 OK 15 96 - 15 - ~10113=4, 10626/9133=3...(4) Peak 9139 from aliabs.peaks (1.27, 4.55, 62.62 ppm; 4.44 A): 3 out of 6 assignments used, quality = 0.98: HB3 LEU 97 + HA PRO 98 OK 83 96 - 86 - 9108/3.6=23, 9107/3.6=20...(21) QG2 THR 99 + HA PRO 98 OK 79 100 - 79 - 4.0/3257=33, 9156=29...(13) HG3 LYS 61 + HA PRO 98 OK 50 92 - 54 - 1695/2.3=5, 3.0/3252=5...(20) HG2 LYS 61 - HA PRO 98 OK 29 62 - 47 - 3.0/3252=5, ~1673=5...(18) HB2 LEU 132 - HA PRO 98 OK 15 98 - 16 - 7171/3.6=3, 3191/4.8=2 QG2 THR 102 - HA PRO 98 lone 10 100 - 10 - 3191/4.8=2, 9191/9172=2 Peak 9140 from aliabs.peaks (0.88, 4.55, 62.62 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.98: QD1 ILE 101 + HA PRO 98 OK 75 85 - 88 - 9175/3.6=32, 9173/3.6=29...(18) QG2 ILE 101 + HA PRO 98 OK 72 92 - 79 - 3.1/9172=16, 9137/3.6=15...(18) QD1 LEU 97 + HA PRO 98 OK 71 81 - 87 - 9117/3.6=24, 9115/3.6=24...(17) QG2 ILE 56 - HA PRO 98 OK 42 96 - 44 - 8304/2.3=8, 9133/3.6=7...(14) QG2 ILE 136 - HA PRO 98 poor 10 85 - 12 - 8319/8311=2, 3194/4.8=2 HB3 LEU 42 - HA PRO 98 lone 4 62 - 6 - 9142/3.8=1, 9137/3.6=1 Peak 9141 from aliabs.peaks (1.49, 2.35, 32.00 ppm; 6.26 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 101 + HB2 PRO 98 OK 100 100 - 100 - 9171/3.0=44, ~9175=43...(29) HG2 LYS 34 + HB2 PRO 98 OK 61 62 - 98 - ~9131=29, ~9131=21...(48) HB3 LEU 29 - HB2 PRO 98 OK 19 89 - 21 - 10623/8374=4, ~8058=4...(7) HD3 LYS 114 - HB2 PRO 98 lone 9 100 - 9 - 9135/3.0=2, 10142/2.3=2 QB ALA 134 - HB2 PRO 98 lone 9 89 - 10 - 9135/3.0=2, 7191/10146=2 Peak 9142 from aliabs.peaks (0.87, 2.04, 27.30 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.60: QD1 LEU 64 + HG2 PRO 98 OK 39 98 - 40 - 9133/2.3=9, 9137/2.3=8...(11) QG2 ILE 83 + HG2 PRO 98 OK 34 92 - 37 - 9133/2.3=8, 3.2/9144=7...(8) HB3 LEU 42 - HG2 PRO 98 lone 4 99 - 3 - Peak 9143 from aliabs.peaks (1.25, 2.04, 27.30 ppm; 4.11 A): 3 out of 8 assignments used, quality = 0.97: HB3 LEU 97 + HG2 PRO 98 OK 84 85 - 99 - 9108/2.3=22, 9107/2.3=18...(42) HG2 LYS 61 + HG2 PRO 98 OK 58 100 - 58 - 9136/2.3=7, 9132/2.3=6...(26) HG3 LYS 61 + HG2 PRO 98 OK 53 92 - 58 - 9136/2.3=7, ~9132=6...(27) QG2 THR 99 - HG2 PRO 98 OK 27 68 - 40 - 9156/3.8=8, 9151/2.3=7...(11) HG13 ILE 58 - HG2 PRO 98 OK 17 94 - 18 - ~8275=4, ~9132=2...(8) HG12 ILE 58 - HG2 PRO 98 OK 12 72 - 17 - ~8275=4, ~9132=2...(9) HB2 LEU 132 - HG2 PRO 98 poor 8 81 - 10 - 9136/2.3=2 QG2 THR 102 - HG2 PRO 98 lone 3 62 - 5 - 9136/2.3=1 Peak 9144 from aliabs.peaks (1.32, 2.04, 27.30 ppm; 3.86 A): 5 out of 5 assignments used, quality = 0.82: HG12 ILE 83 + HG2 PRO 98 OK 46 100 - 46 - 3.2/9142=14, 9146/2.3=10...(11) QB ALA 60 + HG2 PRO 98 OK 40 62 - 64 - 9145/2.3=26...(11) HG LEU 87 + HG2 PRO 98 OK 27 77 - 35 - 9146/2.3=7, 9145/2.3=7...(13) HG2 LYS 85 + HG2 PRO 98 OK 12 81 - 15 - 9145/2.3=4, 9146/2.3=4...(4) HG LEU 79 + HG2 PRO 98 OK 12 62 - 19 - ~8727=5, 9146/2.3=5...(5) Peak 9145 from aliabs.peaks (1.31, 3.42, 50.11 ppm; 3.96 A): 4 out of 4 assignments used, quality = 0.78: HG LEU 87 + HD2 PRO 98 OK 41 100 - 41 - 9146/1.8=11...(12) HG12 ILE 83 + HD2 PRO 98 OK 40 89 - 45 - 9146/1.8=11, 3.2/9133=9...(10) HG LEU 79 + HD2 PRO 98 OK 24 99 - 25 - 2.1/8727=8, 9146/1.8=7...(5) HG3 LYS 24 + HD2 PRO 98 OK 18 94 - 19 - 10177/9175=6, 9146/1.8=5...(4) Peak 9146 from aliabs.peaks (1.31, 3.89, 50.11 ppm; 4.20 A): 4 out of 4 assignments used, quality = 0.82: HG LEU 87 + HD3 PRO 98 OK 45 100 - 45 - 9145/1.8=14...(13) HG12 ILE 83 + HD3 PRO 98 OK 44 89 - 49 - 9145/1.8=13, 3.2/9137=9...(10) HG LEU 79 + HD3 PRO 98 OK 29 99 - 29 - 9145/1.8=8, ~8727=7...(6) HG3 LYS 24 + HD3 PRO 98 OK 20 94 - 22 - 10177/9173=6, 9145/1.8=6...(6) Peak 9147 from aliabs.peaks (4.76, 2.35, 32.00 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HA TYR 117 - HB2 PRO 98 lone 2 94 - 2 - Peak 9148 from aliabs.peaks (0.90, 4.11, 62.82 ppm; 4.39 A): 5 out of 6 assignments used, quality = 0.89: QD1 LEU 97 + HA THR 99 OK 52 92 - 57 - 9155/3.2=10, 3.2/3293=9...(19) QG2 VAL 80 + HA THR 99 OK 38 100 - 38 - 8762/4.8=12, 8763/3.6=7...(7) QD1 ILE 101 + HA THR 99 OK 32 89 - 36 - 5.0/10152=11...(10) QG2 ILE 101 + HA THR 99 OK 31 81 - 38 - 4.0/10152=14, 9155/3.2=5...(9) QG2 ILE 136 + HA THR 99 OK 22 89 - 25 - 9155/3.2=4, 10122/3.0=4...(8) QG2 ILE 56 - HA THR 99 lone 5 72 - 7 - 9162/4.8=1, 9027/10120=1 Peak 9151 from aliabs.peaks (2.35, 1.27, 21.65 ppm; 4.88 A): 4 out of 4 assignments used, quality = 0.94: HB2 PRO 98 + QG2 THR 99 OK 84 100 - 84 - 3265/4.0=32, 2.3/9156=27...(18) HE2 LYS 123 + QG2 THR 99 OK 49 100 - 49 - 3.8/10124=20...(7) HB2 GLN 47 + QG2 THR 99 OK 19 81 - 23 - 9167/4.0=6, 7163/4.0=5...(7) HB3 GLN 47 + QG2 THR 99 OK 14 81 - 17 - 7163/4.0=4, 3251/9156=2...(6) Peak 9152 from aliabs.peaks (1.90, 1.27, 21.65 ppm; 3.80 A): 5 out of 10 assignments used, quality = 0.75: HB3 ARG 89 + QG2 THR 99 OK 38 99 - 38 - 3.5/10114=11...(4) HB ILE 101 + QG2 THR 99 OK 32 100 - 32 - 2.1/9155=9, 3.9/10153=8...(6) HB3 LYS 93 + QG2 THR 99 OK 21 72 - 29 - 4.1/10154=11, 3.4/9154=5...(5) HB2 MET 59 + QG2 THR 99 OK 16 92 - 17 - 4.2/9153=6, 3.0/9156=3, ~9159=1 HB3 ARG 140 + QG2 THR 99 OK 12 77 - 16 - 3.4/10157=3...(6) HB3 LEU 69 - QG2 THR 99 lone 10 100 - 10 - 3.0/10159=2 HB2 GLN 62 - QG2 THR 99 lone 8 94 - 9 - 4.0/10150=2, 1756/4.0=2 HB3 GLN 111 - QG2 THR 99 lone 7 96 - 8 - 1.8/9153=3 HB3 LYS 24 - QG2 THR 99 lone 7 96 - 7 - 11352/10153=2 QE MET 68 - QG2 THR 99 lone 5 81 - 6 - Peak 9153 from aliabs.peaks (2.00, 1.27, 21.65 ppm; 3.65 A): 3 out of 10 assignments used, quality = 0.52: HG3 PRO 52 + QG2 THR 99 OK 24 99 - 25 - 3.8/3301=5, ~1349=2...(11) QE MET 59 + QG2 THR 99 OK 23 99 - 23 - 10405=9, 4.2/9152=2...(5) QE MET 113 + QG2 THR 99 OK 17 100 - 17 - 9335=3, 9330/4504=2...(4) HB VAL 63 - QG2 THR 99 lone 9 100 - 9 - 3.0/10118=4 HB2 GLN 111 - QG2 THR 99 lone 5 85 - 6 - 1.8/9152=2 HB3 ARG 124 - QG2 THR 99 lone 4 81 - 5 - HG3 GLU 122 - QG2 THR 99 lone 4 89 - 4 - 3.9/10159=1 QE MET 11 - QG2 THR 99 lone 4 89 - 4 - HB3 GLU 90 - QG2 THR 99 lone 2 100 - 2 - HB2 GLU 90 - QG2 THR 99 lone 1 72 - 2 - Peak 9154 from aliabs.peaks (1.67, 1.27, 21.65 ppm; 3.51 A): 7 out of 12 assignments used, quality = 0.80: HG LEU 97 + QG2 THR 99 OK 33 72 - 46 - 2.1/9155=13, 4.3/9156=8...(14) HG2 ARG 89 + QG2 THR 99 OK 32 98 - 32 - 3.0/10114=11...(4) HD3 LYS 93 + QG2 THR 99 OK 25 96 - 26 - 3.0/10116=6, 3.4/9152=6...(5) HG13 ILE 136 + QG2 THR 99 OK 19 99 - 19 - 2.1/10340=5, 2.3/9155=5...(5) HD3 LYS 48 + QG2 THR 99 OK 11 100 - 11 - 3.0/10116=2, 3.0/10116=2...(4) HB2 LEU 95 + QG2 THR 99 OK 10 98 - 11 - 3.0/3302=1, 4.6/9088=1 HD2 LYS 48 + QG2 THR 99 OK 10 98 - 11 - 3.0/10116=2, 3.0/10116=2...(4) HB2 ARG 145 - QG2 THR 99 lone 5 100 - 5 - 4946/3.2=1 HG3 ARG 141 - QG2 THR 99 lone 5 77 - 6 - 2.8/9152=2 HB2 MET 68 - QG2 THR 99 lone 4 100 - 4 - HB VAL 71 - QG2 THR 99 lone 3 98 - 3 - HB2 PRO 57 - QG2 THR 99 lone 2 72 - 3 - Peak 9155 from aliabs.peaks (0.88, 1.27, 21.65 ppm; 2.92 A): 0 out of 7 assignments used, low quality = 0.41: QD1 LEU 97 - QG2 THR 99 OK 23 68 - 34 - 3.7/9156=6, 2.1/9154=6...(12) QG2 ILE 101 - QG2 THR 99 OK 15 81 - 18 - 2.1/9152=4, 4.0/10153=4 QD1 ILE 101 - QG2 THR 99 OK 11 72 - 15 - 5.0/10153=3, 3.2/9152=3 QG2 ILE 136 - QG2 THR 99 poor 9 72 - 13 - 3.0/10467=3, 2.3/9154=3 QD1 LEU 64 - QG2 THR 99 lone 5 72 - 7 - ~10121=1 QG2 ILE 56 - QG2 THR 99 lone 4 89 - 5 - HB3 LEU 42 - QG2 THR 99 lone 4 77 - 5 - 3.1/10124=2 Peak 9156 from aliabs.peaks (4.55, 1.27, 21.65 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.76: HA PRO 98 + QG2 THR 99 OK 61 100 - 61 - 3257/4.0=26, 2.3/9151=12...(10) HA LEU 97 + QG2 THR 99 OK 38 72 - 53 - 3.7/9155=10, 7162/4.0=7...(15) HA GLU 28 - QG2 THR 99 lone 6 100 - 5 - 7162/4.0=1 Peak 9158 from aliabs.peaks (4.53, 4.11, 62.82 ppm; 4.29 A): 0 out of 4 assignments used, low quality = 0.42: HA PRO 98 - HA THR 99 OK 42 62 - 68 - 3257/3.0=19, ~3273=18...(11) HA ASP 13 - HA THR 99 lone 2 96 - 2 - HA TYR 115 - HA THR 99 lone 2 100 - 2 - HA HIS 14 - HA THR 99 lone 1 62 - 2 - ~10158=1 Peak 9159 from aliabs.peaks (4.56, 4.27, 68.69 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.94: HA LEU 97 + HB THR 99 OK 72 100 - 72 - 9156/2.1=21...(13) HA PRO 98 + HB THR 99 OK 59 77 - 76 - 3.6/3295=41, ~9151=22...(11) HA ASN 130 + HB THR 99 OK 33 77 - 43 - ~10117=17, ~10158=14...(6) HA MET 59 + HB THR 99 OK 19 94 - 21 - ~9152=5, 9156/2.1=4...(6) HA GLU 28 - HB THR 99 lone 6 81 - 8 - 7162/3.8=2, 9156/2.1=2 Peak 9161 from aliabs.peaks (1.25, 4.30, 57.98 ppm; 3.67 A): 5 out of 8 assignments used, quality = 0.65: HB2 LEU 132 + HA SER 100 OK 31 85 - 36 - ~9166=5, 4478/2.9=5...(16) QG2 THR 99 + HA SER 100 OK 24 72 - 34 - ~7176=10, 3301/4.8=9...(6) HG2 LYS 61 + HA SER 100 OK 15 100 - 15 - 7177/2.9=2, 9164/3.0=2...(7) HG3 LYS 61 + HA SER 100 OK 13 94 - 14 - 7177/2.9=2, 9164/3.0=2...(6) HB3 LEU 97 + HA SER 100 OK 11 89 - 12 - 3293/4.8=3, 3.2/9162=2...(4) HG13 ILE 58 - HA SER 100 lone 6 92 - 7 - 9164/3.0=1 HG12 ILE 58 - HA SER 100 lone 4 68 - 6 - QG2 THR 102 - HA SER 100 lone 2 68 - 3 - Peak 9162 from aliabs.peaks (0.89, 4.30, 57.98 ppm; 4.51 A): 6 out of 6 assignments used, quality = 0.91: QG2 ILE 101 + HA SER 100 OK 50 100 - 50 - 4.0/7184=28, 9169/3.0=6...(10) QD1 ILE 101 + HA SER 100 OK 44 100 - 44 - 3360/3.6=23, 9179/3.0=6...(10) QG2 ILE 136 + HA SER 100 OK 34 100 - 34 - ~10473=4, 7189/3.6=4...(14) QD1 LEU 97 + HA SER 100 OK 22 100 - 22 - 9148/4.8=4, 3.2/9161=4...(8) QG2 ILE 56 + HA SER 100 OK 19 100 - 19 - 1458=4, 2.1/1451=3...(7) QG2 VAL 80 + HA SER 100 OK 19 68 - 28 - 8762=11, 10165/2.9=5...(7) Peak 9164 from aliabs.peaks (1.25, 3.83, 62.85 ppm; 5.20 A): 6 out of 8 assignments used, quality = 0.84: HB2 LEU 132 + HB2 SER 100 OK 40 85 - 47 - 9161/3.0=13, 3.6/3310=8...(9) QG2 THR 99 + HB2 SER 100 OK 39 72 - 53 - 4.0/7179=18, 9161/3.0=13...(6) HG2 LYS 61 + HB2 SER 100 OK 24 100 - 24 - 9161/3.0=6, ~9161=4...(5) HG3 LYS 61 + HB2 SER 100 OK 21 94 - 22 - 9161/3.0=6, ~9161=5...(6) HB3 LEU 97 + HB2 SER 100 OK 16 89 - 18 - 9161/3.0=5, 7177/4.1=4...(4) HG13 ILE 58 + HB2 SER 100 OK 12 92 - 13 - 9161/3.0=3, ~8281=3...(4) HG12 ILE 58 - HB2 SER 100 poor 8 68 - 12 - ~8281=3, ~8281=3...(4) QG2 THR 102 - HB2 SER 100 lone 3 68 - 4 - Peak 9168 from aliabs.peaks (3.84, 1.90, 37.21 ppm; 4.85 A): 4 out of 6 assignments used, quality = 0.96: HA ALA 104 + HB ILE 101 OK 80 100 - 80 - 2.1/10127=33...(13) HA GLN 133 + HB ILE 101 OK 47 100 - 47 - 9614/3.0=8, 9169/2.1=8...(15) HB2 SER 100 + HB ILE 101 OK 37 77 - 49 - 4.5/3328=25, 9169/2.1=7...(7) HA LEU 66 + HB ILE 101 OK 35 96 - 36 - 1881=8, 11155/2.1=6...(9) HB2 SER 127 - HB ILE 101 OK 25 100 - 25 - 9520/2.1=6, 9520/3.2=5...(6) HD2 PRO 118 - HB ILE 101 OK 11 81 - 13 - ~11705=2, 9169/2.1=2...(4) Peak 9169 from aliabs.peaks (3.84, 0.89, 17.24 ppm; 3.15 A): 8 out of 16 assignments used, quality = 0.91: HA ALA 104 + QG2 ILE 101 OK 62 100 - 62 - ~10127=10, 2.1/9195=10...(17) HA GLN 133 + QG2 ILE 101 OK 29 100 - 29 - 9617=4, 9614/3.2=3...(10) HA ALA 104 + QG2 ILE 56 OK 21 99 - 21 - 2.8/10604=6, 10157=4...(4) HA LEU 66 + QG2 ILE 101 OK 20 94 - 21 - 4.0/9892=3, 1881/2.1=3...(8) HB2 SER 100 + QG2 ILE 101 OK 19 72 - 26 - 4.5/3336=9, 3.0/9162=4...(9) HB2 SER 127 + QG2 ILE 101 OK 16 100 - 16 - 9520=2, 9520/3.1=2...(6) HA GLN 133 + QG2 ILE 56 OK 14 98 - 14 - 9620/3.1=3, 9617=2...(4) HA LEU 66 + QG2 ILE 56 OK 14 92 - 15 - 4.0/9892=4, 4.0/9901=4...(4) HA MET 68 - QG2 ILE 101 poor 9 62 - 15 - 8436=3, 8436/3.1=2, 9168/2.1=1 HD2 PRO 118 - QG2 ILE 101 lone 7 85 - 8 - 1.8/11705=1 HB2 SER 100 - QG2 ILE 56 lone 6 70 - 8 - 3.0/1458=2, 1.8/10429=1 HB2 SER 127 - QG2 ILE 56 lone 3 99 - 3 - HA MET 68 - QG2 ILE 56 lone 3 60 - 5 - 8436=1 HD2 PRO 118 - QG2 ILE 56 lone 2 83 - 3 - HA LYS 36 - QG2 ILE 101 lone 2 62 - 3 - HA LYS 36 - QG2 ILE 56 lone 2 60 - 3 - Peak 9171 from aliabs.peaks (3.89, 1.49, 27.13 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.92: HD3 PRO 98 + HG13 ILE 101 OK 92 92 - 100 - 9173/2.1=46, ~9175=41...(25) Peak 9172 from aliabs.peaks (4.55, 0.89, 13.44 ppm; 3.67 A): 4 out of 4 assignments used, quality = 0.94: HA PRO 98 + QD1 ILE 101 OK 72 99 - 73 - 3.6/9175=26, 3.6/9173=23...(17) HA LEU 97 + QD1 ILE 101 OK 67 85 - 78 - 3.8/9175=25, 3.8/9173=22...(20) HA MET 59 + QD1 ILE 101 OK 33 62 - 53 - 3.6/10540=9, 3.7/9181=9...(19) HA GLU 28 + QD1 ILE 101 OK 11 100 - 11 - 10139/2.1=2, 3.0/10543=2...(4) Peak 9173 from aliabs.peaks (3.88, 0.89, 13.44 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.68: HD3 PRO 98 + QD1 ILE 101 OK 68 72 - 94 - 1.8/9175=41, 9171/2.1=17...(31) HA LEU 72 - QD1 ILE 101 lone 1 57 - 2 - Peak 9175 from aliabs.peaks (3.43, 0.89, 13.44 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.85: HD2 PRO 98 + QD1 ILE 101 OK 85 92 - 93 - 1.8/9173=35...(31) Peak 9179 from aliabs.peaks (4.00, 0.89, 13.44 ppm; 4.23 A): 8 out of 9 assignments used, quality = 0.89: HB3 SER 100 + QD1 ILE 101 OK 32 81 - 39 - 4.5/3360=17, 3.0/9162=7...(9) HA LYS 114 + QD1 ILE 101 OK 31 100 - 31 - 3737/2.1=7, ~3761=4...(9) HB3 SER 127 + QD1 ILE 101 OK 28 98 - 28 - 9521=6, 1.8/9520=4...(9) HA LEU 69 + QD1 ILE 101 OK 27 94 - 29 - 10963/3.1=3, 10963=3...(13) HB3 SER 138 + QD1 ILE 101 OK 22 100 - 22 - 9723/3.1=4, 4.7/9727=3...(8) HB2 SER 138 + QD1 ILE 101 OK 22 99 - 22 - 9723/3.1=4, 4.7/9727=3...(8) HA MET 113 + QD1 ILE 101 OK 17 100 - 17 - 3.0/10542=5, 3.0/10131=3...(4) HB2 SER 103 + QD1 ILE 101 OK 12 81 - 15 - 4.6/9193=5, 4.1/10188=4...(4) HA GLU 122 - QD1 ILE 101 poor 9 81 - 11 - 3.0/10171=3, 10963=1 Peak 9180 from aliabs.peaks (2.03, 0.89, 13.44 ppm; 3.11 A): 5 out of 6 assignments used, quality = 0.70: HB3 LYS 34 + QD1 ILE 101 OK 43 99 - 44 - 10180/2.1=7, 2.9/10178=5...(18) HB2 GLU 37 + QD1 ILE 101 OK 16 100 - 16 - 3.0/9181=11, ~9186=1 HB3 GLU 37 + QD1 ILE 101 OK 16 100 - 16 - 3.0/9181=11, ~9186=1 HB2 PRO 33 + QD1 ILE 101 OK 15 77 - 20 - ~9792=5, 10180/2.1=4...(6) HB2 GLU 90 + QD1 ILE 101 OK 12 85 - 14 - 3.0/8958=3, 3.0/10131=2...(5) HG3 GLU 122 - QD1 ILE 101 lone 3 68 - 5 - ~9458=2 Peak 9181 from aliabs.peaks (2.38, 0.89, 13.44 ppm; 3.74 A): 0 out of 3 assignments used, low quality = 0.29: HG3 GLU 37 - QD1 ILE 101 OK 20 100 - 21 - 3.0/9180=5, 3.0/9180=5...(6) HG3 MET 11 - QD1 ILE 101 OK 11 94 - 11 - 9186/3.1=4 HG2 GLN 25 - QD1 ILE 101 lone 5 92 - 5 - 9186/3.1=2 Peak 9183 from aliabs.peaks (2.05, 1.23, 27.13 ppm; 4.15 A): 4 out of 10 assignments used, quality = 1.00: HG2 PRO 98 + HG12 ILE 101 OK 96 99 - 98 - ~9175=26, ~9175=24...(26) HG3 PRO 98 + HG12 ILE 101 OK 89 92 - 97 - ~9175=26, ~9175=24...(25) HG2 PRO 98 + HD3 LYS 123 OK 60 81 - 73 - ~9469=13, ~9469=13...(22) HG3 PRO 98 + HD3 LYS 123 OK 48 72 - 67 - 9469/3.0=14, 2.3/4170=10...(20) HB2 PRO 33 - HG12 ILE 101 OK 31 85 - 36 - ~9792=10, 10180/1.8=5...(12) HB3 GLN 62 - HG12 ILE 101 OK 12 77 - 16 - ~8342=3, ~10131=2...(7) HB2 PRO 52 - HG12 ILE 101 OK 10 98 - 10 - 3238/9184=2, 10535/3.2=1...(5) HB2 PRO 52 - HD3 LYS 123 lone 7 80 - 9 - 9469/3.0=2, 2.3/10132=1 HB2 PRO 33 - HD3 LYS 123 lone 2 66 - 3 - HB3 GLN 62 - HD3 LYS 123 lone 2 58 - 3 - Peak 9185 from aliabs.peaks (3.12, 0.89, 17.24 ppm; 4.64 A): 3 out of 14 assignments used, quality = 0.64: HA ALA 105 + QG2 ILE 101 OK 53 85 - 62 - 2.9/3343=13, 4.9/9169=10...(16) HB3 ASN 96 + QG2 ILE 101 OK 14 100 - 14 - 4.7/7160=6, 9078/3222=2, ~9085=1 HA ALA 105 + QG2 ILE 56 OK 13 83 - 15 - 4.9/10157=3, 2.1/9220=3...(5) HB3 PHE 106 - QG2 ILE 101 poor 10 92 - 11 - 4.7/9220=6, 4.0/9225=1 HA TYR 119 - QG2 ILE 101 poor 10 85 - 11 - 9421/10135=6 HD2 ARG 109 - QG2 ILE 101 lone 9 100 - 9 - 1.8/10237=2, ~10237=1 HD2 ARG 109 - QG2 ILE 56 lone 8 99 - 8 - 1.8/10237=3 HD2 ARG 145 - QG2 ILE 56 lone 6 99 - 6 - 6.0/10604=1 HD3 ARG 145 - QG2 ILE 56 lone 6 99 - 6 - 6.0/10604=1 HA TYR 119 - QG2 ILE 56 lone 6 83 - 7 - 9421/10135=2, 9421/10135=1 HB3 ASN 96 - QG2 ILE 56 lone 6 99 - 6 - 9078/3222=1 HD2 ARG 145 - QG2 ILE 101 lone 5 100 - 5 - HD3 ARG 145 - QG2 ILE 101 lone 5 100 - 5 - HB3 PHE 106 - QG2 ILE 56 lone 5 89 - 5 - 4.7/9220=2, 10170/10608=1 Peak 9186 from aliabs.peaks (2.37, 0.89, 17.24 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.68: HG3 MET 11 + QG2 ILE 56 OK 32 99 - 33 - 41/2.1=6, 3.0/1459=5...(14) HG2 GLN 25 + QG2 ILE 56 OK 27 99 - 28 - 3.9/10608=9, ~8254=7...(4) HG3 GLU 37 + QG2 ILE 101 OK 22 89 - 25 - 9181/3.1=15, 8328/8319=2...(6) HG3 MET 11 + QG2 ILE 101 OK 17 100 - 17 - 9181/3.1=8, 9127/3222=1...(4) HG2 GLN 25 - QG2 ILE 101 lone 8 100 - 8 - 9181/3.1=4 HG3 GLU 37 - QG2 ILE 56 lone 5 86 - 5 - 3.8/10608=1 Peak 9187 from aliabs.peaks (2.41, 4.21, 60.96 ppm; 5.66 A): 5 out of 22 assignments used, quality = 0.97: HB3 PRO 118 + HA PHE 45 OK 60 90 - 66 - 10301/4.7=28, ~11047=25...(7) HG3 MET 59 + HA ILE 101 OK 52 81 - 64 - ~9186=11, 1.8/9187=8...(18) HB ILE 91 + HA PHE 45 OK 47 85 - 55 - ~8998=13, ~8993=10...(11) HG2 MET 59 + HA ILE 101 OK 43 68 - 63 - ~9186=9, 9181/4.1=8...(19) QE MET 46 + HA PHE 45 OK 42 73 - 58 - 1082/3.6=32, 1083/4.8=21...(7) HG3 GLN 47 - HA PHE 45 OK 30 61 - 49 - 4.9/1019=22, 4.9/6397=16...(5) HG2 GLN 47 - HA PHE 45 OK 30 61 - 49 - 4.9/1019=22, 4.9/6397=16...(5) HG2 MET 46 - HA PHE 45 OK 25 65 - 38 - 6388/3.6=15, ~8172=7...(7) HG3 GLN 47 - HA ILE 101 OK 20 72 - 27 - 4.9/1019=6, 4.9/6397=6...(8) HG2 GLN 47 - HA ILE 101 OK 20 72 - 27 - 4.9/1019=6, 4.9/6397=6...(8) HG2 MET 46 - HA ILE 101 OK 18 77 - 23 - 5.1/1018=7, 1.8/10980=4...(8) QE MET 46 - HA ILE 101 OK 15 85 - 18 - 5.9/1018=6, 3.3/10980=3...(4) HG3 MET 59 - HA PHE 45 OK 15 69 - 21 - 6388/3.6=4, 1044/4.8=3...(8) HB ILE 91 - HA ILE 101 OK 14 96 - 15 - 3.0/8965=3, ~11577=1...(4) HB3 PRO 118 - HA ILE 101 OK 14 100 - 14 - ~11705=2, ~7185=2...(6) HG2 MET 59 - HA PHE 45 OK 12 57 - 21 - 6388/3.6=4, 1044/4.8=3...(8) HG3 GLN 133 - HA PHE 45 OK 12 80 - 14 - 6390/3.6=5, 1046/4.8=3...(5) HG3 GLN 133 - HA ILE 101 OK 11 92 - 12 - 10307/3.2=2, ~10307=1...(6) HG2 GLN 133 - HA PHE 45 OK 11 77 - 14 - 6390/3.6=5, 1046/4.8=3...(5) HG2 GLN 133 - HA ILE 101 OK 11 89 - 12 - 10307/3.2=2, ~10307=1...(6) HG3 GLN 25 - HA PHE 45 poor 8 69 - 12 - 9817/4.9=5, 1044/4.8=2...(4) HG3 GLN 25 - HA ILE 101 lone 6 81 - 7 - ~9186=3, 1.8/9187=1 Peak 9189 from aliabs.peaks (0.89, 4.21, 63.05 ppm; 5.42 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 101 + HA THR 102 OK 94 100 - 94 - 3343/3.0=31, 9191/3.2=14...(31) QD1 ILE 101 + HA THR 102 OK 89 100 - 89 - 10172/3.0=23, ~3343=18...(23) QD1 LEU 97 + HA THR 102 OK 77 100 - 78 - 10134/3.0=22...(20) QG2 ILE 136 - HA THR 102 OK 36 100 - 36 - 7198/3.0=4, 9191/3.2=4...(12) QG2 ILE 56 - HA THR 102 OK 13 100 - 13 - 10604/10185=3...(4) QG2 VAL 80 - HA THR 102 poor 8 68 - 11 - 10188/3.6=2, 7201/3.0=2...(4) Peak 9190 from aliabs.peaks (0.88, 4.23, 69.08 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.97: QG2 ILE 101 + HB THR 102 OK 79 85 - 93 - 4.1/7203=32, ~10127=16...(28) QD1 ILE 101 + HB THR 102 OK 69 77 - 89 - 10172/3.9=17, ~10127=15...(27) QD1 LEU 97 + HB THR 102 OK 59 72 - 81 - 10134/3.9=18, ~9122=12...(19) QG2 ILE 136 - HB THR 102 OK 21 77 - 27 - 9191/2.1=4, 9189/3.0=4...(8) QG2 ILE 56 - HB THR 102 OK 12 92 - 13 - 9191/2.1=2, 9195/9204=2...(4) HB3 LEU 42 - HB THR 102 poor 8 72 - 11 - ~10096=2, 9195/9204=2 QD1 LEU 64 - HB THR 102 poor 7 68 - 11 - 9195/9204=4, 10407/10400=1 Peak 9191 from aliabs.peaks (0.88, 1.27, 22.25 ppm; 4.93 A): 4 out of 7 assignments used, quality = 0.93: QG2 ILE 101 + QG2 THR 102 OK 65 85 - 76 - 3343/4.0=18, 9190/2.1=11...(20) QD1 ILE 101 + QG2 THR 102 OK 54 77 - 70 - 9190/2.1=11...(18) QD1 LEU 97 + QG2 THR 102 OK 49 72 - 68 - 10134/4.0=9, ~9122=9...(21) QG2 ILE 136 + QG2 THR 102 OK 15 77 - 19 - 3.0/10340=3, 9190/2.1=3...(6) QG2 ILE 56 - QG2 THR 102 lone 8 92 - 9 - 11204/10509=1 QD1 LEU 64 - QG2 THR 102 lone 4 68 - 6 - 9019/10087=1 HB3 LEU 42 - QG2 THR 102 lone 4 72 - 5 - Peak 9194 from aliabs.peaks (1.15, 3.85, 54.97 ppm; 4.59 A): 3 out of 3 assignments used, quality = 0.91: QG2 THR 92 + HA ALA 104 OK 80 94 - 84 - 10088/2.1=45, ~10201=20...(11) HG LEU 64 + HA ALA 104 OK 52 100 - 52 - ~9195=18, 9197/2.1=14...(11) HG2 LYS 76 + HA ALA 104 OK 11 62 - 18 - 9197/2.1=4, ~10156=4...(4) Peak 9195 from aliabs.peaks (0.88, 1.29, 18.45 ppm; 2.59 A): 0 out of 4 assignments used, low quality = 0.21: QD1 LEU 64 - QB ALA 104 OK 21 92 - 23 - 2.1/9197=7, 9027/10088=5...(5) HB3 LEU 42 - QB ALA 104 lone 9 94 - 9 - 3.0/10096=4, 9027/10088=2 QG2 ILE 56 - QB ALA 104 poor 8 68 - 12 - 2.1/9200=5, 10604/2.9=2 QG2 ILE 83 - QB ALA 104 lone 6 81 - 8 - 9027/10088=3 Peak 9196 from aliabs.peaks (0.75, 1.29, 18.45 ppm; 3.11 A): 0 out of 1 assignment used, low quality = 0.32: QD2 LEU 108 - QB ALA 104 OK 32 77 - 41 - 2.1/10172=16, 2.1/9201=7...(7) Peak 9197 from aliabs.peaks (1.15, 1.29, 18.45 ppm; 2.74 A): 2 out of 3 assignments used, quality = 0.77: QG2 THR 92 + QB ALA 104 OK 68 96 - 71 - 10088=44, 2.1/9204=9...(13) HG LEU 64 + QB ALA 104 OK 28 100 - 28 - 2.1/9195=15, 9194/2.1=4...(4) HG2 LYS 76 - QB ALA 104 lone 6 68 - 9 - 3.0/10156=2, 9944/9196=1 Peak 9198 from aliabs.peaks (3.10, 1.29, 18.45 ppm; 4.35 A): 3 out of 4 assignments used, quality = 0.83: HA ALA 105 + QB ALA 104 OK 78 94 - 82 - 2.1/9222=36, 2.9/7227=34...(13) HD2 ARG 109 + QB ALA 104 OK 13 62 - 21 - 3416/4.1=5, 7228/3.7=4...(7) HA TYR 119 + QB ALA 104 OK 11 94 - 12 - 7519/10190=2...(4) HB3 HIS 10 - QB ALA 104 lone 1 68 - 2 - Peak 9199 from aliabs.peaks (1.91, 1.29, 18.45 ppm; 3.27 A): 4 out of 11 assignments used, quality = 0.77: HB ILE 101 + QB ALA 104 OK 60 92 - 65 - 10127=21, 3.0/10198=13...(14) QE MET 68 + QB ALA 104 OK 17 100 - 17 - 1992/2.1=3, 8424/10172=2...(5) HB2 MET 59 + QB ALA 104 OK 17 100 - 17 - 4.2/9200=5, 8299/9195=2...(6) HB3 LEU 69 + QB ALA 104 OK 17 94 - 18 - 3.2/9197=3, 3.0/9203=3...(5) HB3 LYS 24 - QB ALA 104 poor 9 68 - 14 - 1.8/10884=6, 3.7/9201=1...(4) HB3 ARG 89 - QB ALA 104 lone 6 77 - 7 - 9025/10088=4 HB2 ARG 140 - QB ALA 104 lone 6 62 - 9 - 4.0/3404=1, ~4723=1 HB3 GLN 111 - QB ALA 104 lone 5 68 - 8 - 1.8/9200=3 HG3 PRO 12 - QB ALA 104 lone 2 81 - 3 - HB2 LYS 86 - QB ALA 104 lone 2 85 - 3 - HB2 GLN 62 - QB ALA 104 lone 1 62 - 2 - Peak 9200 from aliabs.peaks (1.99, 1.29, 18.45 ppm; 3.15 A): 5 out of 10 assignments used, quality = 0.52: HB ILE 56 + QB ALA 104 OK 21 98 - 21 - 2.1/9195=7, ~10604=3...(7) HB VAL 63 + QB ALA 104 OK 14 77 - 18 - 3.0/8354=4, 10155/2.1=3...(6) HB3 GLU 75 + QB ALA 104 OK 12 68 - 18 - ~2208=2, 10097/10088=2...(8) HB2 GLU 142 + QB ALA 104 OK 11 89 - 13 - ~10510=3, 3.0/9204=3...(4) QE MET 11 + QB ALA 104 OK 10 100 - 10 - 3.3/9202=3...(3) QE MET 113 - QB ALA 104 poor 8 77 - 10 - 10197/2.1=2, 10097/10088=1 HB2 GLN 111 - QB ALA 104 lone 8 100 - 8 - 1.8/9199=1, 10197/2.1=1 HB3 ARG 124 - QB ALA 104 lone 5 100 - 5 - 9484/8760=1 HG3 PRO 52 - QB ALA 104 lone 3 92 - 4 - HB3 GLU 90 - QB ALA 104 lone 2 77 - 2 - Peak 9201 from aliabs.peaks (1.62, 1.29, 18.45 ppm; 3.81 A): 5 out of 11 assignments used, quality = 0.81: HG LEU 108 + QB ALA 104 OK 55 89 - 62 - 2.1/9196=42...(5) HB3 LEU 64 + QB ALA 104 OK 33 77 - 44 - 3.2/9195=18, 3.0/9197=11...(10) HB2 LEU 97 + QB ALA 104 OK 18 81 - 23 - 10128/10088=7...(5) HD2 LYS 24 + QB ALA 104 OK 14 77 - 18 - 3.7/10884=6...(6) HG3 ARG 144 + QB ALA 104 OK 11 100 - 11 - 9026/10088=2, 4918/2.9=2 HB2 LEU 87 - QB ALA 104 poor 10 99 - 10 - 1851/9195=1...(4) HG2 ARG 141 - QB ALA 104 poor 9 85 - 11 - 3.8/9204=4, 2.8/9199=1 HG3 LYS 34 - QB ALA 104 lone 8 77 - 10 - 1.8/10198=2, 9026/10088=1 HG3 ARG 49 - QB ALA 104 lone 7 100 - 7 - 3498/9196=2 HG3 LYS 48 - QB ALA 104 lone 7 100 - 7 - HG2 ARG 144 - QB ALA 104 lone 5 68 - 7 - ~4918=1 Peak 9202 from aliabs.peaks (2.38, 1.29, 18.45 ppm; 5.83 A): 3 out of 3 assignments used, quality = 0.50: HG3 MET 11 + QB ALA 104 OK 26 94 - 28 - 9024/10088=9, 3.3/9200=5...(7) HG3 GLU 37 + QB ALA 104 OK 22 100 - 22 - 9024/10088=10...(5) HG2 GLN 25 + QB ALA 104 OK 12 92 - 13 - 9024/10088=4...(3) Peak 9203 from aliabs.peaks (4.01, 1.29, 18.45 ppm; 3.70 A): 6 out of 9 assignments used, quality = 0.81: HA VAL 63 + QB ALA 104 OK 29 92 - 32 - 8354=9, 3.0/9200=6...(8) HB2 SER 103 + QB ALA 104 OK 25 100 - 26 - 3.0/9205=9, 7218/2.9=8 HA LEU 69 + QB ALA 104 OK 25 96 - 25 - 3.0/9199=4, 4.1/9197=3...(10) HB3 SER 100 + QB ALA 104 OK 23 100 - 23 - 4.5/10193=8, 3403/2.1=4...(6) HA GLU 122 + QB ALA 104 OK 22 100 - 22 - 3.6/10190=17, 9207/3.7=1 HB THR 107 + QB ALA 104 OK 21 68 - 31 - 4.1/10191=8, 3453/2.1=7...(8) HA GLU 37 - QB ALA 104 lone 7 77 - 8 - 3.8/9202=4 HA GLU 81 - QB ALA 104 lone 5 62 - 8 - 4.9/8744=2, 9970/8760=2 HA LYS 114 - QB ALA 104 lone 3 68 - 5 - Peak 9204 from aliabs.peaks (4.23, 1.29, 18.45 ppm; 3.53 A): 4 out of 5 assignments used, quality = 0.59: HB THR 102 + QB ALA 104 OK 33 100 - 33 - 3.9/3407=6, ~10185=5...(10) HA LYS 93 + QB ALA 104 OK 21 81 - 25 - 2.9/10103=8, 4.8/10102=7...(6) HA ARG 141 + QB ALA 104 OK 14 99 - 14 - 9206/2.9=3, 3007/10088=1...(5) HA GLU 142 + QB ALA 104 OK 11 62 - 17 - 10510/2.9=5, 3.0/9200=4...(6) HA LYS 85 - QB ALA 104 lone 5 100 - 5 - Peak 9205 from aliabs.peaks (4.48, 1.29, 18.45 ppm; 5.19 A): 3 out of 3 assignments used, quality = 0.48: HA ASP 137 + QB ALA 104 OK 27 72 - 37 - 3.6/10191=13, 9209/3.7=8...(8) HA SER 103 + QB ALA 104 OK 19 62 - 30 - ~7218=8, 3.0/9203=7...(6) HA3 GLY 31 + QB ALA 104 OK 13 81 - 15 - 9209/3.7=7, 7217/2.9=5 Peak 9210 from aliabs.peaks (7.50, 1.13, 17.85 ppm; 3.19 A): 0 out of 1 assignment used, low quality = 0.25: H TYR 70 - QB ALA 105 OK 25 98 - 26 - 9210=17, ~11538=5, 1930/9215=1 Peak 9211 from aliabs.peaks (3.30, 1.13, 17.85 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.46: HB2 TRP 88 + QB ALA 105 OK 46 72 - 63 - 9211=21, 1.8/8927=19...(9) HD2 ARG 124 - QB ALA 105 lone 4 68 - 6 - 9211=2 HB3 TRP 17 - QB ALA 105 lone 3 85 - 3 - 9211=2 Peak 9213 from aliabs.peaks (3.84, 1.13, 17.85 ppm; 5.58 A): 2 out of 5 assignments used, quality = 0.94: HA ALA 104 + QB ALA 105 OK 89 92 - 97 - 3.6/3415=39, 2.1/9222=38...(17) HA GLN 133 + QB ALA 105 OK 43 99 - 44 - 4526/3.7=9, 3.6/3418=8...(10) HB2 SER 127 - QB ALA 105 OK 27 96 - 28 - ~9207=9, 7226/2.9=4...(6) HA LEU 66 - QB ALA 105 OK 24 100 - 24 - 8393/9210=9, 5.0/9215=9 HB2 SER 100 - QB ALA 105 OK 20 96 - 21 - 7234/3.7=4, 3405/4.1=3...(8) Peak 9214 from aliabs.peaks (3.96, 1.13, 17.85 ppm; 4.07 A): 5 out of 9 assignments used, quality = 0.95: HA PHE 106 + QB ALA 105 OK 86 100 - 86 - 3.0/7237=35, 9232=24...(15) HB3 SER 103 + QB ALA 105 OK 45 96 - 47 - 10145/4.7=13...(8) HA LYS 48 + QB ALA 105 OK 15 94 - 16 - 9214=3, ~10196=2...(6) HA3 GLY 94 + QB ALA 105 OK 14 100 - 14 - 9214=3, 11698/11675=2...(5) HA ALA 60 + QB ALA 105 OK 11 100 - 11 - 9214=2, 8915/10215=1 HA LEU 29 - QB ALA 105 poor 10 81 - 12 - 10838/3.7=3, 4.0/9220=3, 9214=2 HA3 GLY 143 - QB ALA 105 lone 5 98 - 5 - HD3 PRO 129 - QB ALA 105 lone 5 85 - 5 - HA LYS 86 - QB ALA 105 lone 3 89 - 3 - Peak 9215 from aliabs.peaks (4.21, 1.13, 17.85 ppm; 3.91 A): 6 out of 6 assignments used, quality = 0.84: HA ILE 101 + QB ALA 105 OK 34 92 - 37 - 3.2/9220=8, 4.1/9220=7...(9) HA PHE 43 + QB ALA 105 OK 29 94 - 30 - 10829/4.1=12, 9215=11...(4) HA THR 102 + QB ALA 105 OK 29 85 - 34 - 3.2/9222=8, 3.0/3415=6...(10) HA ALA 134 + QB ALA 105 OK 25 92 - 28 - 9215=7, 2.8/3418=6...(8) HA PHE 67 + QB ALA 105 OK 23 100 - 23 - 1930/9210=9, 9215=9...(5) HA PHE 45 + QB ALA 105 OK 14 72 - 20 - 3.1/10159=13, ~10206=4 Peak 9219 from aliabs.peaks (0.75, 3.10, 54.99 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.88: QD2 LEU 108 + HA ALA 105 OK 76 92 - 83 - 9263=28, 3.2/3414=22...(15) QD1 LEU 108 + HA ALA 105 OK 51 68 - 76 - 2.1/9263=24, 3.2/3414=22...(11) Peak 9220 from aliabs.peaks (0.88, 1.13, 17.85 ppm; 3.81 A): 6 out of 7 assignments used, quality = 0.78: QG2 ILE 101 + QB ALA 105 OK 40 81 - 49 - 3.1/9220=9, 9195/4.1=8...(13) QD1 ILE 101 + QB ALA 105 OK 27 72 - 38 - 9195/4.1=7, 9217/2.9=6...(10) QG2 ILE 136 + QB ALA 105 OK 23 72 - 31 - 10335/2.1=5, 9195/4.1=5...(10) QD1 LEU 64 + QB ALA 105 OK 16 72 - 22 - 9195/4.1=13, ~9224=2...(6) QD1 LEU 97 + QB ALA 105 OK 13 68 - 19 - ~9126=8, 9195/4.1=3...(5) QG2 ILE 56 + QB ALA 105 OK 11 89 - 12 - 9195/4.1=5, 9185/2.1=1 HB3 LEU 42 - QB ALA 105 poor 9 77 - 11 - 9195/4.1=5, ~8150=2...(4) Peak 9221 from aliabs.peaks (0.76, 1.13, 17.85 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.89: QD2 LEU 108 + QB ALA 105 OK 67 100 - 67 - 9263/2.1=16, 9196/4.1=14...(16) QD1 LEU 108 + QB ALA 105 OK 58 92 - 63 - 9260/2.1=13...(16) QD1 LEU 72 + QB ALA 105 OK 24 72 - 33 - 10172/4.1=7, 10166/2.1=5...(8) Peak 9222 from aliabs.peaks (1.28, 1.13, 17.85 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.67: QB ALA 104 + QB ALA 105 OK 58 72 - 81 - 4.1=58, 3.7/7229=21...(11) QG2 THR 102 + QB ALA 105 OK 20 72 - 27 - 9222=9, 7227/2.9=4...(7) QG2 THR 99 - QB ALA 105 lone 3 68 - 4 - Peak 9228 from aliabs.peaks (2.96, 1.13, 17.85 ppm; 3.85 A): 3 out of 10 assignments used, quality = 0.80: HB2 PHE 106 + QB ALA 105 OK 71 85 - 84 - 4.7=55, 4.0/7237=24...(11) HB3 TYR 27 + QB ALA 105 OK 20 94 - 21 - 9229/2.9=6, 9228=5...(5) HB3 PHE 67 + QB ALA 105 OK 11 85 - 13 - 3.0/9215=6, 9228=3 HE2 LYS 48 - QB ALA 105 poor 10 81 - 12 - 7239/3.7=3, 9228=3...(5) HE3 LYS 48 - QB ALA 105 poor 7 62 - 12 - 7239/3.7=3, 1.8/9228=2...(5) HB2 ASP 30 - QB ALA 105 lone 6 85 - 7 - 9229/2.9=5, ~9770=1 HE2 LYS 85 - QB ALA 105 lone 4 72 - 5 - 7239/3.7=1, 3440/4.7=1, 9228=1 HE2 LYS 93 - QB ALA 105 lone 3 77 - 4 - 7239/3.7=1 HB2 TYR 115 - QB ALA 105 lone 3 81 - 4 - HB2 HIS 14 - QB ALA 105 lone 1 77 - 2 - 3.9/10211=1 Peak 9230 from aliabs.peaks (2.09, 7.13, 131.28 ppm; 6.80 A): 7 out of 12 assignments used, quality = 0.93: HG2 GLU 122 + QD PHE 106 OK 76 100 - 76 - 9444=35, 1.8/9445=27...(10) HG2 PRO 118 + QD PHE 106 OK 33 62 - 53 - 3.8/9425=23, 2.3/9426=17...(7) HB2 GLU 131 + QD PHE 106 OK 22 96 - 23 - ~9568=4, ~9566=3...(7) HB2 PRO 129 + QD PHE 106 OK 14 98 - 13 - ~9527=2, ~9527=2...(4) HB3 LYS 36 + QD PHE 106 OK 14 89 - 15 - 10613/5670=5...(3) HG3 PRO 33 + QD PHE 106 OK 11 99 - 11 - 3943/9425=2, 3951/9426=1...(4) HD2 ARG 49 + QD PHE 106 OK 10 85 - 12 - 9827=2, 10665/5590=2...(5) HB3 LYS 61 - QD PHE 106 lone 9 92 - 10 - 10930/3.7=2, 4091/9445=1 HG2 PRO 33 - QD PHE 106 lone 9 94 - 9 - 3943/9425=1 HB2 LEU 26 - QD PHE 106 lone 5 81 - 6 - 8752/9955=1 HB3 GLN 25 - QD PHE 106 lone 5 92 - 5 - HB3 GLU 142 - QD PHE 106 lone 4 99 - 4 - Peak 9231 from aliabs.peaks (1.93, 7.13, 131.28 ppm; 6.80 A): 7 out of 10 assignments used, quality = 0.88: HB2 PRO 118 + QD PHE 106 OK 64 100 - 64 - 2.3/9425=26, 9426=17...(7) HG13 ILE 83 + QD PHE 106 OK 29 100 - 29 - ~10773=4, 10762/2.5=4...(10) HB3 LEU 132 + QD PHE 106 OK 18 94 - 19 - 3.2/10415=5, ~9581=3...(6) HG3 PRO 12 + QD PHE 106 OK 14 92 - 15 - ~10665=3, ~11048=3...(4) HB3 PRO 52 + QD PHE 106 OK 13 96 - 14 - 4083/9444=3, 4090/9445=3 HG2 PRO 52 + QD PHE 106 OK 13 94 - 14 - 4083/9444=3, 4090/9445=3 HB ILE 136 + QD PHE 106 OK 11 99 - 11 - 4604/9235=3...(3) HB2 ARG 140 - QD PHE 106 lone 8 99 - 8 - 3941/9425=2, 9426=1 HB2 LYS 86 - QD PHE 106 lone 7 89 - 8 - 2682/3.7=1 HB2 ARG 89 - QD PHE 106 lone 6 100 - 6 - 2859/9425=2 Peak 9232 from aliabs.peaks (1.12, 3.95, 60.28 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.68: QB ALA 105 + HA PHE 106 OK 60 68 - 88 - 7237/3.0=29, ~7235=26...(15) HD2 LYS 123 + HA PHE 106 OK 22 100 - 22 - 7237/3.0=7, 10222/3.6=7 Peak 9234 from aliabs.peaks (1.57, 3.95, 60.28 ppm; 5.64 A): 4 out of 12 assignments used, quality = 0.99: HG3 ARG 109 + HA PHE 106 OK 81 94 - 86 - 4.3/3427=23, 2.8/3429=21...(32) HG2 ARG 109 + HA PHE 106 OK 72 89 - 82 - 4.3/3427=23, 2.8/3429=21...(22) HG3 ARG 145 + HA PHE 106 OK 56 98 - 57 - 10520/3.7=11, 3.0/3422=7...(28) HG2 ARG 145 + HA PHE 106 OK 56 98 - 57 - 10520/3.7=10, 3.0/3422=7...(28) HD3 LYS 85 - HA PHE 106 OK 28 100 - 28 - 3.6/3429=5, 2.9/3421=4...(6) HD2 LYS 85 - HA PHE 106 OK 28 98 - 28 - 3.6/3429=5, 2.9/3421=4...(6) HB2 LEU 66 - HA PHE 106 OK 13 85 - 15 - 2.9/3429=4, ~8403=1...(6) HG3 LYS 36 - HA PHE 106 OK 10 77 - 14 - 2.9/3429=3, 1.8/3428=2, 11130=1 HB2 LEU 126 - HA PHE 106 lone 6 100 - 6 - HG3 ARG 124 - HA PHE 106 lone 5 77 - 6 - HG2 ARG 55 - HA PHE 106 lone 2 77 - 2 - HG3 ARG 55 - HA PHE 106 lone 1 68 - 2 - Peak 9241 from aliabs.peaks (1.03, 3.71, 66.06 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.58: QG2 THR 110 + HA THR 107 OK 51 77 - 67 - 2.1/3452=34, 10240=17...(8) QD2 LEU 69 + HA THR 107 OK 13 77 - 17 - 9877/3.6=5, 2.1/9928=4 QD2 LEU 116 - HA THR 107 lone 8 100 - 8 - 3896/10240=2, 3597/3452=1 QG2 VAL 53 - HA THR 107 lone 6 99 - 6 - Peak 9242 from aliabs.peaks (0.87, 3.71, 66.06 ppm; 6.67 A): 2 out of 3 assignments used, quality = 0.85: QD1 LEU 64 + HA THR 107 OK 82 100 - 82 - ~9247=25, ~10222=24...(13) QG2 ILE 83 + HA THR 107 OK 17 98 - 17 - 11041=3, 9705/10353=3...(6) HB3 LEU 42 - HA THR 107 lone 5 100 - 5 - 1846/9841=1 Peak 9243 from aliabs.peaks (0.89, 4.03, 68.28 ppm; 4.52 A): 4 out of 6 assignments used, quality = 0.95: QG2 ILE 136 + HB THR 107 OK 62 100 - 62 - 9245/2.1=14, 4612/3.0=8...(17) QG2 ILE 101 + HB THR 107 OK 58 100 - 58 - 9245/2.1=11, 10429=8...(16) QD1 ILE 101 + HB THR 107 OK 56 100 - 56 - 9245/2.1=12, 2.1/3457=7...(17) QG2 ILE 56 + HB THR 107 OK 28 100 - 28 - 9245/2.1=5, 10429=3...(8) QD1 LEU 97 - HB THR 107 OK 20 100 - 20 - 9245/2.1=4, 3.2/9248=3...(8) QG2 VAL 80 - HB THR 107 poor 9 68 - 13 - 9245/2.1=2, 4.4/6876=2...(4) Peak 9244 from aliabs.peaks (0.75, 4.03, 68.28 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 108 + HB THR 107 OK 78 92 - 85 - 9246/2.1=42, 7275/4.7=24...(16) QD1 LEU 108 + HB THR 107 OK 54 68 - 80 - ~9246=30, 4.4/3458=20...(18) Peak 9245 from aliabs.peaks (0.89, 1.22, 21.95 ppm; 3.43 A): 5 out of 5 assignments used, quality = 0.81: QG2 ILE 136 + QG2 THR 107 OK 39 94 - 42 - 3.2/3460=5, 9243/2.1=5...(16) QG2 ILE 101 + QG2 THR 107 OK 34 98 - 35 - 2.1/11043=6, 10429/2.1=5...(13) QD1 ILE 101 + QG2 THR 107 OK 33 94 - 35 - 3.2/11043=5, 9243/2.1=5...(16) QG2 ILE 56 + QG2 THR 107 OK 17 100 - 17 - 10429/2.1=2, 2.1/9251=2...(4) QD1 LEU 97 + QG2 THR 107 OK 12 92 - 13 - 3.2/9252=2, 9243/2.1=2...(5) Peak 9246 from aliabs.peaks (0.74, 1.22, 21.95 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.49: QD2 LEU 108 + QG2 THR 107 OK 49 72 - 67 - 9244/2.1=14, 7275/4.4=14...(16) Peak 9247 from aliabs.peaks (0.61, 1.22, 21.95 ppm; 4.64 A): 0 out of 2 assignments used, low quality = 0.24: QD1 LEU 132 - QG2 THR 107 OK 15 72 - 21 - 10174/9246=6, 9582/3.2=3...(6) QD1 LEU 66 - QG2 THR 107 OK 10 72 - 14 - 10174/9246=5...(3) Peak 9248 from aliabs.peaks (1.61, 4.03, 68.28 ppm; 5.68 A): 2 out of 11 assignments used, quality = 0.95: HG LEU 108 + HB THR 107 OK 93 100 - 93 - ~9246=42, 2.1/9244=28...(17) HB2 LEU 97 + HB THR 107 OK 29 100 - 30 - 9252/2.1=4, 3.2/9243=4...(12) HG3 LYS 48 - HB THR 107 OK 29 92 - 32 - 1183/4.7=9, 4.9/3458=8...(5) HG3 ARG 49 - HB THR 107 OK 16 92 - 17 - 3493/4.7=4, 9252/2.1=3...(6) HB2 LEU 79 - HB THR 107 OK 15 81 - 18 - ~9247=8, 9239/4.1=3...(4) HB2 LEU 87 - HB THR 107 OK 15 68 - 22 - 9252/2.1=3, 1.8/3457=2...(10) HG2 ARG 144 - HB THR 107 OK 10 99 - 10 - 7274/4.7=2, 9252/2.1=1...(4) HG2 ARG 141 - HB THR 107 lone 9 100 - 9 - 9252/2.1=1, 7274/4.7=1, ~11630=1 HG3 ARG 144 - HB THR 107 lone 8 85 - 9 - 7274/4.7=1, 9252/2.1=1...(4) HD2 LYS 61 - HB THR 107 lone 6 85 - 7 - 9239/4.1=1 HD3 LYS 61 - HB THR 107 lone 5 81 - 7 - 9239/4.1=1 Peak 9249 from aliabs.peaks (2.00, 4.03, 68.28 ppm; 3.73 A): 5 out of 10 assignments used, quality = 0.86: HB2 GLN 111 + HB THR 107 OK 48 94 - 50 - 9251/2.1=9, ~9254=9...(12) QE MET 59 + HB THR 107 OK 47 94 - 49 - 10567/2.1=16, 10401=10...(12) HB VAL 63 + HB THR 107 OK 35 100 - 36 - 1793=7, 9251/2.1=6...(13) QE MET 113 + HB THR 107 OK 16 100 - 16 - 9251/2.1=4, 9310/9236=2...(4) HG3 GLU 122 + HB THR 107 OK 10 77 - 14 - ~9458=2, ~9458=2...(5) HB ILE 56 - HB THR 107 poor 10 68 - 14 - 2.1/9243=3, ~9245=3...(5) QE MET 11 - HB THR 107 lone 7 96 - 7 - 9251/2.1=1, 9240/4.1=1 HB3 ARG 124 - HB THR 107 lone 7 92 - 7 - 3.9/7541=3, 9251/2.1=1 HG3 PRO 52 - HB THR 107 lone 6 100 - 6 - 9251/2.1=2 HB3 GLU 90 - HB THR 107 lone 3 100 - 3 - Peak 9250 from aliabs.peaks (1.98, 3.71, 66.06 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.93: HB2 GLN 111 + HA THR 107 OK 76 85 - 89 - ~9254=22, ~9254=19...(17) HB ILE 56 + HA THR 107 OK 40 100 - 40 - 2.1/9242=6, ~9245=6...(12) HB3 GLU 75 + HA THR 107 OK 37 96 - 39 - ~10221=11, ~10165=8...(10) QE MET 11 + HA THR 107 OK 13 81 - 16 - 9240/3.0=3, 10591/4.8=2...(4) HB2 GLU 142 + HA THR 107 OK 10 100 - 10 - 10361/10356=1...(4) HB3 ARG 124 - HA THR 107 poor 9 89 - 11 - 9285/3452=2 Peak 9251 from aliabs.peaks (2.00, 1.22, 21.95 ppm; 3.44 A): 5 out of 10 assignments used, quality = 0.85: QE MET 59 + QG2 THR 107 OK 48 92 - 53 - 10567=17, 10408/9246=10...(12) HB2 GLN 111 + QG2 THR 107 OK 45 96 - 47 - 3.0/9254=13...(8) HB VAL 63 + QG2 THR 107 OK 28 99 - 28 - 9249/2.1=6, 3.0/3461=4...(11) QE MET 113 + QG2 THR 107 OK 19 99 - 19 - 9329/9247=4, 9249/2.1=2...(7) HB ILE 56 + QG2 THR 107 OK 11 72 - 15 - 2.1/9245=4, ~9243=2...(5) HG3 PRO 52 - QG2 THR 107 lone 9 100 - 9 - 3638/10165=1 QE MET 11 - QG2 THR 107 lone 7 98 - 7 - 9249/2.1=1, 9240/4.0=1 HG3 GLU 122 - QG2 THR 107 lone 6 72 - 8 - 1.8/9458=2, 9249/2.1=2 HB3 ARG 124 - QG2 THR 107 lone 5 94 - 6 - 9249/2.1=1 HB3 GLU 90 - QG2 THR 107 lone 3 99 - 3 - Peak 9252 from aliabs.peaks (1.61, 1.22, 21.95 ppm; 4.17 A): 6 out of 11 assignments used, quality = 0.92: HG LEU 108 + QG2 THR 107 OK 79 98 - 81 - 2.1/9246=41, 2.1/9246=15...(15) HB3 LEU 64 + QG2 THR 107 OK 26 57 - 46 - 3.1/10916=17, ~10164=10...(11) HG3 LYS 48 + QG2 THR 107 OK 23 100 - 23 - 1183/4.4=7, 4.9/3463=5...(5) HB2 LEU 97 + QG2 THR 107 OK 18 94 - 19 - 3.2/9245=3...(6) HB2 LEU 87 + QG2 THR 107 OK 15 92 - 16 - 9248/2.1=1, 8881/8808=1...(4) HG3 ARG 49 + QG2 THR 107 OK 11 100 - 11 - 3493/4.4=3, 3498/9246=2 HG3 ARG 144 - QG2 THR 107 lone 5 99 - 5 - HG2 ARG 141 - QG2 THR 107 lone 5 96 - 5 - HG2 ARG 144 - QG2 THR 107 lone 5 85 - 5 - HD2 LYS 24 - QG2 THR 107 lone 2 57 - 4 - HG3 LYS 34 - QG2 THR 107 lone 2 57 - 4 - Peak 9253 from aliabs.peaks (2.39, 1.22, 21.95 ppm; 4.33 A): 3 out of 5 assignments used, quality = 0.74: HG2 MET 59 + QG2 THR 107 OK 48 92 - 52 - 3.4/10567=17, 10575=7...(13) HG3 MET 59 + QG2 THR 107 OK 42 81 - 52 - 3.4/10567=17, 10575=7...(12) HG3 GLU 37 + QG2 THR 107 OK 16 94 - 16 - 781/2.1=3, ~774=2...(6) HG2 MET 46 - QG2 THR 107 lone 3 85 - 3 - HG3 GLN 25 - QG2 THR 107 lone 2 81 - 3 - Peak 9254 from aliabs.peaks (2.79, 1.22, 21.95 ppm; 4.19 A): 3 out of 6 assignments used, quality = 0.69: HG3 GLN 111 + QG2 THR 107 OK 58 96 - 60 - 1.8/10165=19...(12) HB3 ASN 84 + QG2 THR 107 OK 16 100 - 16 - 2561/2.1=4, ~2553=3...(4) HB3 ASN 139 + QG2 THR 107 OK 12 72 - 17 - 4695/3.2=3, ~4687=3...(8) HB3 TYR 119 - QG2 THR 107 lone 5 89 - 6 - HB3 ASP 41 - QG2 THR 107 lone 3 92 - 3 - HB2 ASN 128 - QG2 THR 107 lone 1 72 - 1 - Peak 9257 from aliabs.peaks (3.99, 0.76, 23.80 ppm; 4.00 A): 6 out of 6 assignments used, quality = 0.87: HA GLU 75 + QD2 LEU 108 OK 67 89 - 75 - 9258/2.1=31...(14) HA MET 113 + QD2 LEU 108 OK 23 92 - 25 - 9257=5, 9319/10174=4...(10) HA LYS 114 + QD2 LEU 108 OK 21 85 - 24 - 3.6/10175=7, 9257=5...(6) HB3 SER 127 + QD2 LEU 108 OK 17 96 - 17 - 9258/2.1=5, 9257=3...(5) HB2 SER 138 + QD2 LEU 108 OK 12 94 - 13 - 9257=3, 1.8/9257=2, 9957/2.1=1 HB3 SER 138 + QD2 LEU 108 OK 12 92 - 13 - 9257=3, 1.8/9257=2, 9957/2.1=1 Peak 9258 from aliabs.peaks (3.98, 0.76, 26.39 ppm; 3.61 A): 3 out of 4 assignments used, quality = 0.87: HA GLU 75 + QD1 LEU 108 OK 68 100 - 68 - 9258=40, 9257/2.1=8...(11) HA GLU 75 + QD1 LEU 72 OK 49 90 - 55 - 11723/2.1=15...(17) HA LYS 48 + QD1 LEU 108 OK 19 62 - 31 - 3.0/3509=8, ~3501=5...(9) HA LYS 48 - QD1 LEU 72 lone 2 51 - 4 - Peak 9259 from aliabs.peaks (4.24, 0.76, 26.39 ppm; 3.98 A): 5 out of 12 assignments used, quality = 0.88: HB THR 92 + QD1 LEU 108 OK 58 92 - 64 - 9259=30, 4.0/10553=17...(9) HB THR 92 + QD1 LEU 72 OK 53 78 - 68 - 2.8/10229=19...(16) HA ARG 141 + QD1 LEU 108 OK 17 98 - 17 - 9259=8, 4772/2.1=1...(4) HA GLU 142 + QD1 LEU 108 OK 14 96 - 15 - 9259=7, 3.0/10232=2, ~10170=2 HA LYS 85 + QD1 LEU 72 OK 11 64 - 17 - 3.0/2149=4, 2569/4.9=3...(6) HA ARG 141 - QD1 LEU 72 poor 9 86 - 11 - 2996/10230=1 HB THR 102 - QD1 LEU 108 poor 9 85 - 11 - 9259=4, 9204/10172=3 HA GLU 142 - QD1 LEU 72 lone 7 84 - 8 - 3.6/10227=2 HA LYS 85 - QD1 LEU 108 lone 6 77 - 8 - ~10036=3, 8860/2.1=1, ~10039=1 HB THR 102 - QD1 LEU 72 lone 4 72 - 6 - 9204/10172=2, 2996/10230=1 HA2 GLY 50 - QD1 LEU 108 lone 2 81 - 2 - HA2 GLY 50 - QD1 LEU 72 lone 1 68 - 2 - Peak 9263 from aliabs.peaks (3.10, 0.76, 23.80 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.88: HA ALA 105 + QD2 LEU 108 OK 81 98 - 83 - 9219=24, 9260/2.1=23...(15) HD2 ARG 109 + QD2 LEU 108 OK 29 72 - 41 - 5.7/7289=16, 9260/2.1=8...(9) HA TYR 119 + QD2 LEU 108 OK 12 98 - 12 - 10166/2.1=3...(3) Peak 9265 from aliabs.peaks (2.40, 0.76, 23.80 ppm; 3.96 A): 3 out of 5 assignments used, quality = 0.94: HB ILE 91 + QD2 LEU 108 OK 72 94 - 76 - 2.1/8970=18, ~8970=9...(28) HG2 MET 59 + QD2 LEU 108 OK 55 100 - 55 - 3.4/10408=18, ~10569=8...(16) HG3 MET 59 + QD2 LEU 108 OK 55 100 - 55 - 3.4/10408=18, ~10569=8...(16) HG3 GLN 25 - QD2 LEU 108 OK 17 100 - 16 - 10585/3.2=2...(6) HG2 MET 46 - QD2 LEU 108 OK 13 100 - 13 - 10496/8477=1...(4) Peak 9266 from aliabs.peaks (4.18, 0.76, 23.80 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.85: HA LEU 64 + QD2 LEU 108 OK 68 100 - 69 - 9266=14, 9878/2.1=12...(25) HA TRP 88 + QD2 LEU 108 OK 52 94 - 55 - 3.0/10069=15...(13) HA PHE 38 - QD2 LEU 108 lone 7 81 - 8 - 9266=2, 8931/8810=1 HA CYS 121 - QD2 LEU 108 lone 5 98 - 5 - 9266=1 Peak 9267 from aliabs.peaks (6.84, 3.61, 60.23 ppm; 4.36 A): 2 out of 2 assignments used, quality = 0.92: HZ2 TRP 88 + HA ARG 109 OK 89 100 - 89 - 2.5/9268=35, 8937=17...(19) QD PHE 67 + HA ARG 109 OK 30 100 - 30 - 10233/3.0=6, 10235/3.9=6...(9) Peak 9268 from aliabs.peaks (6.42, 3.61, 60.23 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.77: HH2 TRP 88 + HA ARG 109 OK 77 92 - 84 - 2.5/9267=30...(13) Peak 9271 from aliabs.peaks (0.77, 3.61, 60.23 ppm; 3.93 A): 5 out of 5 assignments used, quality = 0.89: QD1 LEU 108 + HA ARG 109 OK 58 92 - 63 - ~7289=18, 7290/2.9=14...(12) QD2 LEU 108 + HA ARG 109 OK 38 68 - 57 - 7289/2.9=22, 3469/4.9=14...(8) QG2 VAL 73 + HA ARG 109 OK 30 100 - 30 - 8556/9268=10, 7290/2.9=5...(8) QD1 ILE 136 + HA ARG 109 OK 27 100 - 27 - 9668/5.2=7, 7290/2.9=4...(8) QD1 LEU 72 + HA ARG 109 OK 20 100 - 20 - 3510/4.9=5, 7290/2.9=3...(8) Peak 9272 from aliabs.peaks (0.65, 3.61, 60.23 ppm; 4.57 A): 3 out of 3 assignments used, quality = 0.66: QD1 LEU 126 + HA ARG 109 OK 37 98 - 38 - 9299/7354=7, 10254/5.2=6...(14) QD2 LEU 64 + HA ARG 109 OK 31 100 - 31 - 9842/4.9=6, 8369/4.9=6...(10) QD1 ILE 56 + HA ARG 109 OK 22 99 - 23 - 10223/4.9=13...(3) Peak 9273 from aliabs.peaks (0.67, 1.39, 29.64 ppm; 5.25 A): 3 out of 3 assignments used, quality = 0.58: QD1 ILE 83 + HB2 ARG 109 OK 32 62 - 52 - 10030/3.6=15...(13) HB3 LEU 116 + HB2 ARG 109 OK 31 96 - 32 - 9274/3.6=5, ~10176=5...(13) QD2 LEU 64 + HB2 ARG 109 OK 11 72 - 15 - 9272/3.0=6, 10625=2...(4) Peak 9274 from aliabs.peaks (0.68, 3.33, 43.50 ppm; 4.17 A): 4 out of 4 assignments used, quality = 0.94: QD1 ILE 83 + HD3 ARG 109 OK 75 100 - 75 - 10030=38, 3.1/11060=18...(12) QD2 LEU 66 + HD3 ARG 109 OK 64 94 - 68 - 9274=12, 9272/5.2=9...(24) HB3 LEU 116 + HD3 ARG 109 OK 18 91 - 19 - 9274=5, 9273/3.6=4...(7) QD2 LEU 39 + HD3 ARG 109 OK 14 57 - 24 - 9272/5.2=5, 11496/3.0=3...(9) Peak 9275 from aliabs.peaks (0.79, 3.33, 43.50 ppm; 3.96 A): 5 out of 6 assignments used, quality = 0.79: QD1 LEU 79 + HD3 ARG 109 OK 42 81 - 52 - 9271/5.2=8, 2.1/11019=8...(22) QD1 ILE 136 + HD3 ARG 109 OK 34 77 - 44 - 9668=14, 3.0/10333=11...(8) QD2 LEU 72 + HD3 ARG 109 OK 23 99 - 24 - 9275=6, 2.1/9275=5...(5) QG2 VAL 73 + HD3 ARG 109 OK 17 62 - 27 - ~8570=8, ~8570=7, 9275=7...(5) QD2 LEU 95 + HD3 ARG 109 OK 12 88 - 14 - 9271/5.2=3 QG2 THR 74 - HD3 ARG 109 poor 8 77 - 11 - 9271/5.2=4, 9934/5.7=1 Peak 9276 from aliabs.peaks (3.94, 3.61, 60.23 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.90: HA PHE 106 + HA ARG 109 OK 61 77 - 79 - 3427/2.9=21...(15) HA LYS 86 + HA ARG 109 OK 50 98 - 51 - 10745/3.9=20, ~11118=7...(10) HA3 GLY 94 + HA ARG 109 OK 25 62 - 41 - 3.0/3525=8, ~3548=6...(10) HA ALA 60 + HA ARG 109 OK 20 62 - 32 - 3.6/6564=9, 11591/3.9=5...(8) HD3 PRO 129 + HA ARG 109 OK 12 99 - 12 - 10745/3.9=4...(4) HA LEU 29 - HA ARG 109 lone 8 100 - 8 - 10745/3.9=3 Peak 9278 from aliabs.peaks (7.29, 1.04, 21.00 ppm; 3.81 A): 0 out of 2 assignments used, low quality = 0.00: QE PHE 106 - QG2 THR 110 lone 5 100 - 5 - 4833=4 HZ2 TRP 17 - QG2 THR 110 lone 1 100 - 1 - Peak 9279 from aliabs.peaks (1.57, 3.82, 66.23 ppm; 6.44 A): 3 out of 11 assignments used, quality = 0.95: HG3 ARG 109 + HA THR 110 OK 72 98 - 74 - 4.3/9277=21, ~7308=20...(7) HG2 ARG 109 + HA THR 110 OK 59 81 - 72 - 4.3/9277=21, ~7308=20...(8) HB2 LEU 66 + HA THR 110 OK 58 92 - 63 - ~10452=13, ~7308=9...(16) HG3 ARG 145 - HA THR 110 OK 37 94 - 39 - 3.0/10742=8, 3.0/10742=8...(9) HG2 ARG 145 - HA THR 110 OK 36 94 - 38 - 3.0/10742=8, 3.0/10742=8...(9) HG3 ARG 124 - HA THR 110 OK 26 85 - 30 - ~9289=10, 3522/4.9=4...(8) HD3 LYS 85 - HA THR 110 OK 18 100 - 18 - 3522/4.9=4, 7310/3.0=3...(6) HD2 LYS 85 - HA THR 110 OK 17 94 - 18 - 3521/4.9=3, 7309/3.0=3...(5) HB2 LEU 126 - HA THR 110 OK 11 98 - 11 - 4279/9842=2, 3521/4.9=2...(4) HG3 LYS 36 - HA THR 110 OK 10 85 - 12 - 3522/4.9=3, ~7308=2...(4) HG2 ARG 55 - HA THR 110 lone 2 68 - 3 - Peak 9280 from aliabs.peaks (2.00, 3.82, 66.23 ppm; 3.92 A): 3 out of 10 assignments used, quality = 0.94: QE MET 113 + HA THR 110 OK 72 98 - 73 - 9337=37, 4.2/3592=15...(11) HG3 PRO 52 + HA THR 110 OK 58 100 - 58 - 2.3/8231=11...(17) HB2 GLN 111 + HA THR 110 OK 53 98 - 54 - 4.6/7356=9, 9288/3.2=8...(17) HB3 GLU 90 - HA THR 110 OK 18 98 - 18 - 3.0/3592=5, 2928/3592=3...(7) HB3 ARG 124 - HA THR 110 OK 13 96 - 14 - ~9289=3, 9288/3.2=2...(4) HB VAL 63 - HA THR 110 OK 13 98 - 14 - ~8367=2, ~9832=2...(4) HB ILE 56 - HA THR 110 OK 12 77 - 15 - ~9286=6, ~10239=2...(6) QE MET 11 - HA THR 110 OK 11 99 - 11 - 42/5.0=3, 7328/3.6=2...(4) QE MET 59 - HA THR 110 lone 8 89 - 9 - 9288/3.2=2, 9285/3.0=1 HG3 GLU 122 - HA THR 110 lone 4 68 - 6 - Peak 9281 from aliabs.peaks (2.76, 3.82, 66.23 ppm; 4.94 A): 4 out of 7 assignments used, quality = 0.86: HE2 LYS 114 + HA THR 110 OK 61 100 - 61 - 9287/3.2=16, ~10638=15...(15) HE3 LYS 76 + HA THR 110 OK 35 100 - 35 - 9287/3.2=9, ~9287=6...(10) HE2 LYS 76 + HA THR 110 OK 32 92 - 35 - 9287/3.2=8, ~9287=6...(10) HB2 ASP 41 + HA THR 110 OK 16 92 - 17 - 9287/3.2=3, 7331/3.6=3...(7) HB3 ASP 137 - HA THR 110 lone 6 96 - 6 - 9287/3.2=2 HB3 ASP 40 - HA THR 110 lone 5 81 - 6 - 9287/3.2=1 HB2 PHE 38 - HA THR 110 lone 3 100 - 3 - Peak 9283 from aliabs.peaks (2.79, 4.11, 68.41 ppm; 6.36 A): 4 out of 5 assignments used, quality = 0.91: HG3 GLN 111 + HB THR 110 OK 87 100 - 87 - 4.7/3598=35, 1.8/9284=31...(15) HB3 ASN 84 + HB THR 110 OK 13 96 - 13 - 7331/4.6=5, 9254/9286=3...(4) HB3 ASP 41 + HB THR 110 OK 12 77 - 16 - ~9281=4, ~9287=3...(4) HB3 TYR 119 + HB THR 110 OK 12 98 - 12 - 7331/4.6=5, 3641/9284=2 HB2 ASP 41 - HB THR 110 poor 9 68 - 14 - 7331/4.6=6, 9282/4.1=2...(4) Peak 9284 from aliabs.peaks (2.22, 4.11, 68.41 ppm; 5.21 A): 0 out of 2 assignments used, low quality = 0.00: HB2 GLU 28 - HB THR 110 lone 7 92 - 7 - 9291/2.1=6 HG2 GLU 28 - HB THR 110 lone 5 100 - 5 - ~9291=4 Peak 9285 from aliabs.peaks (1.99, 4.11, 68.41 ppm; 5.78 A): 3 out of 7 assignments used, quality = 0.97: HB2 GLN 111 + HB THR 110 OK 87 96 - 90 - 3.9/3598=35, 3.0/9284=26...(21) HG3 PRO 52 + HB THR 110 OK 60 77 - 78 - ~8231=12, ~10642=12...(17) HB ILE 56 + HB THR 110 OK 46 100 - 46 - 3.0/9286=23, 3.0/9286=22...(5) HB3 GLU 75 - HB THR 110 OK 32 85 - 38 - 1.8/9284=12, ~9291=7...(8) HB3 ARG 124 - HB THR 110 OK 25 98 - 26 - ~9289=8, ~9293=5...(8) QE MET 11 - HB THR 110 OK 15 94 - 16 - 7328/4.6=3, 10592/3593=3...(4) HB2 GLU 142 - HB THR 110 OK 13 98 - 13 - 9288/2.1=2, ~10507=2...(5) Peak 9286 from aliabs.peaks (1.22, 4.11, 68.41 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.67: QG2 THR 107 + HB THR 110 OK 67 100 - 67 - 3.2/3452=29, ~9241=16...(9) HD3 LYS 123 - HB THR 110 lone 5 85 - 6 - 3449/3452=4, 10239/4.1=2 HG12 ILE 101 - HB THR 110 lone 3 62 - 5 - 3449/3452=2, ~10638=2 Peak 9287 from aliabs.peaks (2.76, 1.04, 21.00 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.76: HE2 LYS 114 + QG2 THR 110 OK 55 100 - 55 - 3.0/10638=22...(12) HE3 LYS 76 + QG2 THR 110 OK 29 100 - 29 - 3.9/10451=5, 9281/3.2=5...(12) HE2 LYS 76 + QG2 THR 110 OK 26 92 - 29 - 3.9/10451=5, 9281/3.2=4...(12) HB2 ASP 41 - QG2 THR 110 lone 9 92 - 10 - 9281/3.2=2, 7331/4.4=1...(4) HB3 ASP 137 - QG2 THR 110 lone 6 96 - 6 - 9707/10638=2 HB3 ASP 40 - QG2 THR 110 lone 5 81 - 6 - 3806/10638=2 HB2 PHE 38 - QG2 THR 110 lone 3 100 - 3 - Peak 9288 from aliabs.peaks (2.00, 1.04, 21.00 ppm; 3.90 A): 3 out of 10 assignments used, quality = 0.93: HB2 GLN 111 + QG2 THR 110 OK 73 100 - 73 - 3.9/3603=20, 4.6/9294=18...(18) HG3 PRO 52 + QG2 THR 110 OK 52 98 - 53 - 9280/3.2=6, ~8231=5...(20) QE MET 113 + QG2 THR 110 OK 43 89 - 49 - 9337/3.2=22, 9333=11...(8) HB3 ARG 124 - QG2 THR 110 OK 15 100 - 15 - 3.0/9289=6, 3.0/9293=4...(4) HB ILE 56 - QG2 THR 110 OK 13 92 - 14 - ~9286=7, 9285/2.1=2...(4) QE MET 11 - QG2 THR 110 OK 12 100 - 12 - 10592/10177=3...(3) HB3 GLU 90 - QG2 THR 110 lone 8 89 - 9 - 9280/3.2=2, ~3592=2, ~3592=2 QE MET 59 - QG2 THR 110 poor 7 72 - 10 - 10403/10177=4...(4) HB VAL 63 - QG2 THR 110 lone 6 89 - 7 - 9280/3.2=1 HB2 GLU 142 - QG2 THR 110 lone 5 77 - 7 - Peak 9289 from aliabs.peaks (1.67, 1.04, 21.00 ppm; 4.44 A): 0 out of 12 assignments used, low quality = 0.44: HD3 LYS 93 - QG2 THR 110 OK 23 96 - 24 - 3.0/10451=8, 3.0/9290=8...(4) HB2 PRO 57 - QG2 THR 110 OK 18 72 - 24 - 1.8/9291=8, 2.3/10451=8...(4) HG13 ILE 136 - QG2 THR 110 OK 12 99 - 13 - 3.7/10240=3, 4628/9241=2 HB2 ARG 145 - QG2 THR 110 lone 6 100 - 6 - ~10742=2, ~9279=2, ~9279=1 HD3 LYS 48 - QG2 THR 110 lone 4 100 - 4 - HB2 LEU 95 - QG2 THR 110 lone 4 98 - 4 - 3.0/10452=2 HD2 LYS 48 - QG2 THR 110 lone 4 98 - 4 - HB VAL 71 - QG2 THR 110 lone 3 98 - 4 - HB2 MET 68 - QG2 THR 110 lone 2 100 - 2 - HG2 ARG 89 - QG2 THR 110 lone 2 98 - 2 - HG LEU 97 - QG2 THR 110 lone 1 72 - 1 - HG3 ARG 141 - QG2 THR 110 lone 1 77 - 1 - Peak 9290 from aliabs.peaks (1.42, 1.04, 21.00 ppm; 3.92 A): 3 out of 5 assignments used, quality = 0.80: HD2 LYS 114 + QG2 THR 110 OK 56 92 - 61 - 1.8/10638=27...(17) HG LEU 116 + QG2 THR 110 OK 37 72 - 51 - 2.1/3896=10, 2.1/3888=9...(13) HG3 LYS 93 + QG2 THR 110 OK 28 100 - 28 - 1.8/10451=8, 3.0/9289=7...(5) HB2 ARG 35 - QG2 THR 110 poor 9 81 - 10 - 1.8/10452=2, 3804/10638=1 HG2 LYS 36 - QG2 THR 110 lone 2 68 - 3 - Peak 9291 from aliabs.peaks (2.20, 1.04, 21.00 ppm; 4.04 A): 4 out of 4 assignments used, quality = 0.65: HB2 MET 113 + QG2 THR 110 OK 41 77 - 54 - 3591/3.2=14, ~3592=13...(7) HG2 GLU 75 + QG2 THR 110 OK 18 100 - 17 - 3591/3.2=4, ~9284=4...(6) HB3 PRO 57 + QG2 THR 110 OK 16 77 - 21 - 1.8/9289=7, 2.3/10451=7...(4) HB2 MET 46 + QG2 THR 110 OK 12 85 - 14 - 4.0/3603=4, 3591/3.2=4...(5) Peak 9293 from aliabs.peaks (4.64, 1.04, 21.00 ppm; 4.46 A): 4 out of 7 assignments used, quality = 0.52: HA LEU 87 + QG2 THR 110 OK 20 100 - 20 - 3.0/10241=6, 7327/4.4=2...(8) HA ASP 32 + QG2 THR 110 OK 20 99 - 20 - 425/2.1=3, 3.8/3601=3...(8) HA ASN 139 + QG2 THR 110 OK 16 92 - 17 - 7327/4.4=2, 9340/10638=2...(6) HA ARG 124 + QG2 THR 110 OK 11 77 - 14 - 3.8/9289=7, 3.0/9288=3, ~9285=1 HA ASP 16 - QG2 THR 110 lone 3 62 - 5 - 10605/10177=3 HA PRO 129 - QG2 THR 110 lone 2 89 - 3 - HA GLN 62 - QG2 THR 110 lone 2 100 - 2 - Peak 9300 from aliabs.peaks (1.42, 3.93, 62.06 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.34: HD2 LYS 114 - HA TYR 112 OK 34 100 - 34 - 9300=13, 5.9/7395=7...(6) HG3 LYS 93 - HA TYR 112 lone 8 92 - 8 - 3.8/10725=2, 9300=1 Peak 9301 from aliabs.peaks (1.00, 3.93, 62.06 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.88: QD1 LEU 116 + HA TYR 112 OK 82 100 - 82 - 10223=33, 4.6/10245=16...(21) HG12 ILE 136 + HA TYR 112 OK 36 100 - 36 - 9304/2.9=6, 9306/3.7=5...(13) Peak 9302 from aliabs.peaks (0.76, 3.93, 62.06 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.92: QG2 VAL 73 + HA TYR 112 OK 54 77 - 70 - 8553/3.7=32, ~8569=20...(11) QD2 LEU 108 + HA TYR 112 OK 42 100 - 42 - ~9296=21, 9257/4.9=7...(7) QD1 ILE 136 + HA TYR 112 OK 36 62 - 57 - 2.1/9301=15, ~9304=14...(11) QD1 LEU 108 + HA TYR 112 OK 34 99 - 35 - ~9296=21, 8473/11536=4...(7) QD1 LEU 72 + HA TYR 112 OK 32 89 - 36 - 2.1/9302=7, ~10183=5...(12) Peak 9303 from aliabs.peaks (0.66, 3.93, 62.06 ppm; 4.46 A): 3 out of 3 assignments used, quality = 0.82: QD1 LEU 126 + HA TYR 112 OK 62 92 - 67 - 9303=41, 9299/2.9=20...(10) QD2 LEU 64 + HA TYR 112 OK 46 100 - 46 - 1847/2.9=15, 9317/3.6=10...(11) QD1 ILE 56 + HA TYR 112 OK 11 94 - 11 - 8623/10184=3...(4) Peak 9304 from aliabs.peaks (1.00, 3.25, 38.88 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 116 + HB2 TYR 112 OK 92 100 - 92 - 10223/2.9=38...(18) HG12 ILE 136 + HB2 TYR 112 OK 55 100 - 55 - 9301/2.9=14, 9306/2.7=13...(10) Peak 9305 from aliabs.peaks (0.98, 3.41, 38.88 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.55: QG2 THR 51 + HB3 TYR 112 OK 30 68 - 45 - 4.6/3675=15, ~8211=10...(6) QD1 LEU 29 + HB3 TYR 112 OK 28 98 - 29 - 8072/4.0=18, 8588/8569=2...(6) HB2 LEU 39 + HB3 TYR 112 OK 10 100 - 11 - ~9303=4, 4711/2.7=3, 8588/8569=1 Peak 9309 from aliabs.peaks (6.92, 4.00, 60.14 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.71: QD TYR 112 + HA MET 113 OK 71 98 - 73 - 7381/3.0=30, ~7380=18...(12) Peak 9310 from aliabs.peaks (7.14, 2.00, 15.64 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.69: QD TYR 117 + QE MET 113 OK 65 100 - 65 - 2.2/10189=42...(9) QD PHE 106 + QE MET 113 OK 11 77 - 14 - 5670/10189=4...(4) HZ PHE 106 - QE MET 113 lone 2 89 - 2 - Peak 9318 from aliabs.peaks (0.78, 4.00, 60.14 ppm; 6.49 A): 3 out of 5 assignments used, quality = 0.94: QD1 ILE 136 + HA MET 113 OK 71 100 - 71 - 9331/5.4=17...(13) QG2 VAL 73 + HA MET 113 OK 64 100 - 65 - 8553/9309=20...(13) QD1 LEU 72 + HA MET 113 OK 40 96 - 42 - 10192/3.7=7, 9331/5.4=6...(12) QD1 LEU 108 - HA MET 113 OK 24 81 - 29 - 2.1/9257=7, 9331/5.4=4...(6) QD2 LEU 72 - HA MET 113 OK 22 62 - 35 - 10192/3.7=6, 5.0/6736=4...(9) Peak 9319 from aliabs.peaks (0.62, 4.00, 60.14 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.60: QD1 LEU 132 + HA MET 113 OK 50 62 - 81 - 9326/3.7=20, 9329/5.4=18...(17) QD1 LEU 66 + HA MET 113 OK 19 62 - 31 - 9326/3.7=9, 9327/3.7=9...(6) Peak 9320 from aliabs.peaks (0.42, 4.00, 60.14 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.77: QD2 LEU 132 + HA MET 113 OK 63 68 - 94 - 2.1/9319=35, 9325/3.7=29...(16) QG2 VAL 82 + HA MET 113 OK 38 68 - 56 - 10254/3.0=19...(9) Peak 9323 from aliabs.peaks (0.62, 2.27, 33.08 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.74: QD1 LEU 132 + HB3 MET 113 OK 62 62 - 100 - 9329/4.2=37, 2.1/9324=36...(22) QD1 LEU 66 + HB3 MET 113 OK 30 62 - 48 - 9327/3.0=15, 9326/3.0=15...(6) Peak 9324 from aliabs.peaks (0.41, 2.27, 33.08 ppm; 6.26 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 132 + HB3 MET 113 OK 98 100 - 99 - 9330/4.2=42, 9328/3.0=39...(20) Peak 9325 from aliabs.peaks (0.41, 2.25, 32.75 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 132 + HG2 MET 113 OK 98 100 - 98 - 9330/3.3=42, 9328/1.8=38...(21) HG3 LYS 123 - HG2 MET 113 OK 15 62 - 23 - 9330/3.3=7, 9328/1.8=6...(7) Peak 9326 from aliabs.peaks (0.62, 2.25, 32.75 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.71: QD1 LEU 132 + HG2 MET 113 OK 60 62 - 97 - 9329/3.3=29, 2.1/9325=26...(25) QD1 LEU 66 + HG2 MET 113 OK 27 62 - 43 - ~11045=15, 9327/1.8=11...(8) Peak 9327 from aliabs.peaks (0.61, 2.75, 32.75 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 132 + HG3 MET 113 OK 84 85 - 98 - 9329/3.3=31, 2.1/9328=31...(27) QD1 LEU 66 + HG3 MET 113 OK 44 85 - 52 - ~11045=18, 9326/1.8=12...(8) Peak 9328 from aliabs.peaks (0.41, 2.75, 32.75 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 132 + HG3 MET 113 OK 97 100 - 97 - 9330/3.3=40, 9325/1.8=31...(22) HG3 LYS 123 - HG3 MET 113 OK 14 62 - 22 - 9330/3.3=7, 9325/1.8=5...(7) Peak 9329 from aliabs.peaks (0.60, 2.00, 15.64 ppm; 2.79 A): 3 out of 3 assignments used, quality = 0.83: QD1 LEU 132 + QE MET 113 OK 69 100 - 69 - 2.1/9330=29, 2.1/9334=14...(18) QD1 LEU 66 + QE MET 113 OK 39 100 - 39 - 2.1/11045=20, 4.0/9337=4...(10) QG1 VAL 71 + QE MET 113 OK 13 94 - 13 - 4508/9330=2, 9685/9331=2 Peak 9330 from aliabs.peaks (0.40, 2.00, 15.64 ppm; 2.54 A): 1 out of 2 assignments used, quality = 0.61: QD2 LEU 132 + QE MET 113 OK 61 98 - 62 - 2.1/9329=18, 9577=13...(16) HG3 LYS 123 - QE MET 113 poor 9 77 - 11 - 1.8/9466=2, 4515/9329=2 Peak 9331 from aliabs.peaks (0.77, 2.00, 15.64 ppm; 2.50 A): 0 out of 5 assignments used, low quality = 0.37: QD1 ILE 136 - QE MET 113 OK 30 92 - 33 - 10466=11, 3.0/9332=6...(7) QD2 LEU 108 - QE MET 113 OK 10 89 - 12 - 10174/9329=2, 2.1/10232=1 QD1 LEU 72 - QE MET 113 lone 10 100 - 10 - 9595/9330=1 QG2 VAL 73 - QE MET 113 poor 10 98 - 10 - 9595/9330=2, 8553/10248=2 QD1 LEU 108 - QE MET 113 lone 8 100 - 8 - 10232=1 Peak 9332 from aliabs.peaks (0.88, 2.00, 15.64 ppm; 3.01 A): 3 out of 7 assignments used, quality = 0.46: QG2 ILE 136 + QE MET 113 OK 31 81 - 38 - 3.0/9331=12, 10661=10...(10) QG2 ILE 56 + QE MET 113 OK 13 94 - 14 - 3.1/9329=5...(4) QD1 LEU 64 + QE MET 113 OK 11 62 - 18 - 2.1/10662=12, ~9326=1 QD1 LEU 97 - QE MET 113 poor 8 77 - 10 - 2.1/10130=3, 3.2/9335=2 QG2 ILE 101 - QE MET 113 lone 8 89 - 9 - 4638/9331=1 QD1 ILE 101 - QE MET 113 lone 7 81 - 9 - 4638/9331=1 HB3 LEU 42 - QE MET 113 lone 2 68 - 3 - 9861/11045=1 Peak 9333 from aliabs.peaks (1.03, 2.00, 15.64 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.49: QD2 LEU 116 + QE MET 113 OK 30 100 - 30 - 3.2/10662=14...(10) QG2 THR 110 + QE MET 113 OK 28 85 - 32 - 3.2/9337=18, 9291/4.2=5...(6) QD2 LEU 69 - QE MET 113 poor 10 68 - 15 - 3.2/9334=2, 3.9/3723=2...(5) QG2 VAL 53 - QE MET 113 lone 9 96 - 9 - 10450/3729=3...(3) Peak 9334 from aliabs.peaks (1.37, 2.00, 15.64 ppm; 3.24 A): 5 out of 5 assignments used, quality = 0.84: HG LEU 132 + QE MET 113 OK 71 89 - 80 - 2.1/9330=35, 2.1/9329=27...(17) HD3 LYS 76 + QE MET 113 OK 16 92 - 17 - 3.0/3727=3, 3.0/3727=2 HB3 LEU 39 + QE MET 113 OK 13 92 - 14 - 3.2/11045=5, 9688/9331=1...(4) HB2 LEU 69 + QE MET 113 OK 13 62 - 20 - 3.2/9333=9, 3.0/3723=3...(4) HB3 ARG 49 + QE MET 113 OK 11 99 - 11 - 3.7/3729=4, 1256/3729=2 Peak 9335 from aliabs.peaks (1.26, 2.00, 15.64 ppm; 3.69 A): 5 out of 7 assignments used, quality = 0.86: HB2 LEU 132 + QE MET 113 OK 74 92 - 80 - 3.2/9330=32, 3.2/9329=25...(17) HG2 LYS 61 + QE MET 113 OK 17 100 - 17 - 4.9/10251=11...(4) HG3 LYS 61 + QE MET 113 OK 17 98 - 17 - 4.9/10251=11...(3) QG2 THR 99 + QE MET 113 OK 14 81 - 17 - 9153=7, 4504/9330=2 HB3 LEU 97 + QE MET 113 OK 13 94 - 14 - 3.2/9332=4, 3.1/10130=3...(4) HG13 ILE 58 - QE MET 113 lone 3 85 - 4 - 2.1/9815=2 QG2 THR 102 - QE MET 113 lone 2 77 - 3 - Peak 9336 from aliabs.peaks (1.56, 2.00, 15.64 ppm; 3.28 A): 0 out of 9 assignments used, low quality = 0.35: HB3 LEU 79 - QE MET 113 OK 26 72 - 35 - 3.1/9331=8, ~9327=6...(11) HG2 ARG 109 - QE MET 113 OK 13 100 - 13 - 3.0/9338=5, 2.8/9334=3 HG2 ARG 145 - QE MET 113 lone 8 99 - 8 - 3.0/9338=3, 3.0/9338=3 HG3 ARG 145 - QE MET 113 lone 8 99 - 8 - 3.0/9338=3, 3.0/9338=3 HB2 LEU 126 - QE MET 113 lone 7 96 - 7 - 3.0/10251=1, 4279/10662=1 HD2 LYS 85 - QE MET 113 lone 6 99 - 6 - 10050/3.3=1, ~8864=1 HD3 LYS 85 - QE MET 113 lone 4 77 - 6 - ~8864=1 HG2 ARG 55 - QE MET 113 lone 2 100 - 2 - HG3 ARG 55 - QE MET 113 lone 2 98 - 2 - Peak 9337 from aliabs.peaks (3.81, 2.00, 15.64 ppm; 3.05 A): 2 out of 3 assignments used, quality = 0.48: HA THR 110 + QE MET 113 OK 42 100 - 42 - 3592/4.2=9, 3591/4.2=8...(10) HA3 GLY 50 + QE MET 113 OK 10 94 - 11 - 3688/4.2=2, 3697/4.2=2...(4) HA GLN 47 - QE MET 113 lone 3 89 - 3 - Peak 9338 from aliabs.peaks (3.10, 2.00, 15.64 ppm; 3.80 A): 0 out of 6 assignments used, low quality = 0.34: HD2 ARG 109 - QE MET 113 OK 16 89 - 19 - 3.0/9336=6, 3.6/9334=3...(6) HA ALA 105 - QE MET 113 OK 12 100 - 12 - 4.9/10155=3...(3) HA TYR 119 - QE MET 113 OK 11 100 - 11 - 10704/9330=4, 9669/9331=1 HB3 ASN 96 - QE MET 113 poor 9 72 - 13 - 1.8/3727=3, 3.5/10249=3...(4) HD2 ARG 145 - QE MET 113 poor 9 77 - 11 - 3.0/9336=3, 3.0/9336=3 HD3 ARG 145 - QE MET 113 poor 8 72 - 11 - 3.0/9336=3, 3.0/9336=3 Peak 9340 from aliabs.peaks (4.65, 1.49, 29.04 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.95: HA ASN 139 + HD3 LYS 114 OK 89 100 - 90 - 9339/1.8=32...(28) HA LEU 87 + HD3 LYS 114 OK 55 89 - 62 - ~10266=15, 10054/2.9=14...(10) HA GLN 111 - HD3 LYS 114 OK 37 68 - 55 - 3615/3.6=17, 3613/5.9=13...(9) HA ASP 32 - HD3 LYS 114 OK 34 100 - 34 - ~10805=13, 9293/10638=4...(7) HA GLN 62 - HD3 LYS 114 poor 10 92 - 11 - 9339/1.8=3, ~10887=2 HA PRO 129 - HD3 LYS 114 poor 10 62 - 15 - 10277/9341=6, ~10283=3...(4) HA ASP 16 - HD3 LYS 114 lone 8 89 - 9 - 4241/10678=2, 4250/10679=2 Peak 9347 from aliabs.peaks (2.76, 7.18, 118.41 ppm; 5.34 A): 1 out of 9 assignments used, quality = 0.97: HE2 LYS 114 + QE TYR 115 OK 97 100 - 98 - 1.8/8139=33, 3.7/9358=33...(19) HG3 MET 113 - QE TYR 115 OK 43 77 - 56 - 3.7/10185=22...(13) HE3 LYS 76 - QE TYR 115 OK 42 100 - 42 - 1.8/8140=6, 8140=6...(15) HE2 LYS 76 - QE TYR 115 OK 42 99 - 42 - 8140=6, 1.8/8140=6...(15) HB3 ASP 137 - QE TYR 115 OK 24 100 - 24 - ~4660=3, 9707/9341=3...(7) HB2 PHE 38 - QE TYR 115 OK 24 96 - 25 - 1.8/4716=17...(3) HB3 ASP 40 - QE TYR 115 OK 20 94 - 21 - 3773/9358=3, 886/8139=3...(8) HB2 ASP 41 - QE TYR 115 OK 12 77 - 16 - 1.8/9347=4, 810/4716=2...(4) HB3 PHE 43 - QE TYR 115 OK 10 62 - 16 - ~4660=4, ~5660=3...(5) Peak 9353 from aliabs.peaks (1.64, 7.18, 118.41 ppm; 5.93 A): 2 out of 8 assignments used, quality = 0.96: HB2 LYS 114 + QE TYR 115 OK 92 92 - 100 - 2.9/9358=43...(33) HB2 PRO 57 + QE TYR 115 OK 54 62 - 86 - 1.8/10589=38...(16) HB3 LEU 64 - QE TYR 115 OK 45 68 - 66 - 3.1/10282=28...(10) HB3 LEU 26 - QE TYR 115 OK 38 99 - 39 - ~10549=8, 4719=7...(10) HG2 ARG 124 - QE TYR 115 OK 23 77 - 30 - 11071/4749=7, 3.8/4715=3...(10) HG3 LYS 34 - QE TYR 115 OK 21 68 - 31 - ~11171=7, 4719=5...(8) HG2 ARG 140 - QE TYR 115 OK 15 77 - 19 - 9353=2, 1.8/4718=2...(4) HD2 LYS 24 - QE TYR 115 OK 15 68 - 22 - 5.3/9345=5, 3.0/9354=4...(5) Peak 9354 from aliabs.peaks (1.42, 7.18, 118.41 ppm; 5.53 A): 2 out of 5 assignments used, quality = 0.96: HD2 LYS 114 + QE TYR 115 OK 91 92 - 99 - 2.9/9358=39...(30) HG LEU 116 + QE TYR 115 OK 54 72 - 75 - ~10220=22, 4.9/10287=19...(18) HB2 ARG 35 - QE TYR 115 OK 43 81 - 53 - 1.8/4718=12, ~602=9...(14) HG3 LYS 93 - QE TYR 115 OK 35 100 - 35 - 9354=5, 3.0/9353=4...(11) HG2 LYS 36 - QE TYR 115 OK 23 68 - 34 - 3.0/10814=12, ~10784=8...(8) Peak 9355 from aliabs.peaks (1.04, 7.18, 118.41 ppm; 4.91 A): 4 out of 5 assignments used, quality = 0.99: QD2 LEU 116 + QE TYR 115 OK 75 96 - 78 - 9366/4.5=20, ~10220=18...(20) QG2 VAL 53 + QE TYR 115 OK 69 77 - 90 - 2.1/8237=49, 9808=27...(20) HG3 LYS 114 + QE TYR 115 OK 67 68 - 99 - 1.8/9358=38, 2.9/9342=30...(29) QG2 THR 110 + QE TYR 115 OK 51 99 - 51 - 10241/6.5=8...(14) HB2 LEU 116 - QE TYR 115 OK 33 62 - 53 - 3.9/10287=18, ~10220=15...(6) Peak 9356 from aliabs.peaks (0.92, 7.18, 118.41 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.83: QD2 LEU 29 + QE TYR 115 OK 58 92 - 63 - 9356=11, 378/2.2=10...(19) HB2 LEU 64 + QE TYR 115 OK 43 100 - 44 - 3.1/10282=16, ~9883=7...(8) QG2 VAL 80 + QE TYR 115 OK 30 85 - 35 - 8756/9570=10, 9356=6...(8) HB2 LEU 108 - QE TYR 115 lone 4 72 - 5 - 1842/9884=1, 10010/10000=1 Peak 9366 from aliabs.peaks (1.01, 2.95, 41.12 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.95: QD1 LEU 116 + HB2 TYR 115 OK 93 100 - 93 - 10684/1.8=33...(21) HG12 ILE 136 + HB2 TYR 115 OK 30 94 - 32 - 10217/1.8=10, ~4728=8...(7) QD2 LEU 69 - HB2 TYR 115 OK 23 81 - 28 - 7446/4.7=11, 9889/9367=4...(9) Peak 9367 from aliabs.peaks (0.59, 2.95, 41.12 ppm; 5.88 A): 3 out of 3 assignments used, quality = 0.86: QD1 LEU 66 + HB2 TYR 115 OK 62 68 - 92 - 2.1/11113=34...(19) QG1 VAL 71 + HB2 TYR 115 OK 41 96 - 43 - 10218/1.8=11, 4723/4.5=6...(11) QD1 LEU 132 + HB2 TYR 115 OK 36 68 - 53 - 10295/4.5=14...(11) Peak 9371 from aliabs.peaks (4.33, 1.01, 27.97 ppm; 4.29 A): 0 out of 3 assignments used, low quality = 0.45: HA PRO 12 - QD1 LEU 116 OK 45 100 - 45 - 10226/2.1=24, 9371=15...(9) HA ILE 56 - QD1 LEU 116 poor 9 72 - 12 - 4.2/9393=6, 3.8/10228=3 HA THR 18 - QD1 LEU 116 lone 6 72 - 9 - 10226/2.1=4, 3.2/10228=2 Peak 9372 from aliabs.peaks (3.85, 1.01, 27.97 ppm; 4.10 A): 5 out of 8 assignments used, quality = 0.95: HA LEU 66 + QD1 LEU 116 OK 69 89 - 77 - 8390/2.1=19, 9372=16...(25) HB2 SER 127 + QD1 LEU 116 OK 41 100 - 41 - 9375/2.1=7, 3.0/3887=5...(13) HA LYS 36 + QD1 LEU 116 OK 35 72 - 48 - 3.0/10295=7, 3.8/10689=6...(17) HA GLN 133 + QD1 LEU 116 OK 34 98 - 35 - 9616=9, 9375/2.1=4...(12) HD2 PRO 118 + QD1 LEU 116 OK 34 92 - 37 - 4.8/7454=12, 9372=7...(6) HA MET 68 - QD1 LEU 116 OK 27 72 - 37 - 3.6/10221=11, 9372=6...(12) HA ALA 104 - QD1 LEU 116 OK 18 100 - 18 - 9375/2.1=2, 9372=2...(4) HB2 SER 100 - QD1 LEU 116 lone 6 62 - 9 - 9372=2, 9375/2.1=1 Peak 9373 from aliabs.peaks (3.14, 1.01, 27.97 ppm; 4.44 A): 3 out of 3 assignments used, quality = 0.89: HB2 TYR 70 + QD1 LEU 116 OK 77 98 - 79 - 8484=22, 9376/2.1=22...(12) HA VAL 80 + QD1 LEU 116 OK 37 81 - 45 - 9373=11, 9376/2.1=9...(12) HA LEU 79 + QD1 LEU 116 OK 25 100 - 25 - 9376/2.1=6, 4.8/9373=5...(9) Peak 9374 from aliabs.peaks (2.74, 1.01, 27.97 ppm; 4.13 A): 5 out of 9 assignments used, quality = 0.81: HB3 TYR 70 + QD1 LEU 116 OK 44 62 - 70 - 1.8/9373=19, 3.0/8479=14...(11) HB3 PHE 43 + QD1 LEU 116 OK 36 100 - 36 - 1.8/10684=11, ~9377=6...(8) HG3 MET 113 + QD1 LEU 116 OK 34 98 - 35 - ~9333=10, ~9333=8...(8) HE2 LYS 76 + QD1 LEU 116 OK 13 72 - 18 - 3.9/10296=4, 7.4/9397=3...(4) HB3 ASP 137 + QD1 LEU 116 OK 11 62 - 17 - 3.8/7763=7, ~9377=2...(5) HB3 ASP 40 - QD1 LEU 116 poor 9 85 - 11 - 3.3/6278=5, ~6282=2 HB3 ASP 16 - QD1 LEU 116 lone 7 100 - 7 - 9377/2.1=1, 3853/4.6=1 HB2 ASN 96 - QD1 LEU 116 lone 5 100 - 5 - 3.5/9397=1 HB2 ASN 54 - QD1 LEU 116 lone 4 100 - 4 - 8504/10699=1 Peak 9375 from aliabs.peaks (3.84, 1.03, 24.44 ppm; 4.51 A): 3 out of 6 assignments used, quality = 0.94: HA LEU 66 + QD2 LEU 116 OK 85 98 - 87 - 8390=27, 8390/2.1=17...(31) HB2 SER 127 + QD2 LEU 116 OK 46 100 - 46 - 3.0/3895=7, 9372/2.1=6...(16) HD2 PRO 118 + QD2 LEU 116 OK 30 77 - 39 - 4.8/3901=16, 10292=6...(8) HA GLN 133 - QD2 LEU 116 OK 28 100 - 28 - 9616/2.1=10...(7) HA ALA 104 - QD2 LEU 116 OK 16 100 - 16 - 8506/11092=3, 9372/2.1=3...(5) HB2 SER 100 - QD2 LEU 116 lone 8 81 - 10 - 9372/2.1=2 Peak 9376 from aliabs.peaks (3.14, 1.03, 24.44 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.90: HB2 TYR 70 + QD2 LEU 116 OK 80 98 - 82 - 9376=21, 9373/2.1=21...(16) HA VAL 80 + QD2 LEU 116 OK 32 81 - 39 - 9373/2.1=10, 9376=10...(11) HA LEU 79 + QD2 LEU 116 OK 22 100 - 22 - 9373/2.1=7, 4.8/9376=5...(7) Peak 9377 from aliabs.peaks (2.69, 1.03, 24.44 ppm; 4.53 A): 4 out of 5 assignments used, quality = 0.95: HB3 TYR 115 + QD2 LEU 116 OK 88 98 - 90 - 1.8/9366=28, 4.7/3894=26...(21) HB2 PHE 43 + QD2 LEU 116 OK 43 89 - 48 - 5.8/10687=12, 9377=11...(11) HB2 ASP 137 + QD2 LEU 116 OK 15 100 - 15 - 9377=4, ~9374=2...(4) HB2 ASP 32 + QD2 LEU 116 OK 15 100 - 15 - 9377=4, 7438/5.0=2...(5) HB3 CYS 121 - QD2 LEU 116 lone 6 68 - 9 - 9374/2.1=2, 10920/9391=2, 9377=1 Peak 9378 from aliabs.peaks (1.88, 1.03, 24.44 ppm; 4.48 A): 7 out of 9 assignments used, quality = 0.91: HB2 LYS 36 + QD2 LEU 116 OK 58 100 - 59 - 9378=10, 10295/2.1=8...(18) HB3 LYS 93 + QD2 LEU 116 OK 32 68 - 47 - 10295/2.1=9, 9378=6...(21) HB3 ARG 140 + QD2 LEU 116 OK 27 62 - 43 - ~11091=9, 10295/2.1=8...(10) HB2 LYS 48 + QD2 LEU 116 OK 25 92 - 27 - 9378=5, 1.8/9378=4...(8) HB3 LYS 48 + QD2 LEU 116 OK 25 100 - 25 - 9378=5, 10295/2.1=4...(7) HB2 ARG 144 + QD2 LEU 116 OK 12 98 - 12 - 10514/9402=3, 9378=2...(5) HB3 LYS 85 + QD2 LEU 116 OK 10 81 - 12 - 3.6/11090=2, 4.8/10290=2...(5) HB3 LEU 126 - QD2 LEU 116 poor 8 57 - 14 - 3.1/10297=4, 1.8/11090=3...(5) HB3 ARG 141 - QD2 LEU 116 lone 4 81 - 5 - 10295/2.1=1 Peak 9391 from aliabs.peaks (0.53, 1.03, 24.44 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.54: QD1 LEU 42 + QD2 LEU 116 OK 54 68 - 80 - 2.1/9392=37...(22) QD1 ILE 58 - QD2 LEU 116 poor 9 92 - 10 - 11029/2.1=2, 4797/9402=2 Peak 9392 from aliabs.peaks (0.29, 1.03, 24.44 ppm; 4.13 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9393 from aliabs.peaks (0.59, 1.01, 27.97 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.89: QD1 LEU 66 + QD1 LEU 116 OK 65 89 - 74 - 9889=12, 9856/2.1=12...(33) QG1 VAL 71 + QD1 LEU 116 OK 58 100 - 58 - 9393=16, ~11092=13...(13) QD1 LEU 132 + QD1 LEU 116 OK 23 89 - 26 - 9393=8, 10294/4.6=3...(6) Peak 9394 from aliabs.peaks (0.34, 1.01, 27.97 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.96: QD2 LEU 42 + QD1 LEU 116 OK 81 85 - 95 - 9392/2.1=46, ~9391=28...(29) QD1 ILE 91 + QD1 LEU 116 OK 79 100 - 79 - 10230/2.1=13...(32) HG2 LYS 123 - QD1 LEU 116 OK 30 100 - 30 - 9463/9396=10...(9) Peak 9396 from aliabs.peaks (6.25, 1.01, 27.97 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.71: QE TYR 119 + QD1 LEU 116 OK 71 81 - 87 - 9400/2.1=46, 9396=31...(11) Peak 9397 from aliabs.peaks (6.79, 1.01, 27.97 ppm; 4.09 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9398 from aliabs.peaks (6.94, 1.01, 27.97 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.68: QD TYR 112 + QD1 LEU 116 OK 50 68 - 73 - 9398=24, 3.7/10223=19...(14) QD PHE 23 + QD1 LEU 116 OK 37 100 - 37 - 9398=16, 9402/2.1=11...(7) HD2 HIS 10 - QD1 LEU 116 lone 7 100 - 6 - 9402/2.1=2 Peak 9399 from aliabs.peaks (7.49, 1.01, 27.97 ppm; 3.96 A): 0 out of 1 assignment used, low quality = 0.29: HD1 TRP 88 - QD1 LEU 116 OK 29 99 - 29 - 9399=9, 9403/2.1=6...(6) Peak 9400 from aliabs.peaks (6.25, 1.03, 24.44 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.45: QE TYR 119 + QD2 LEU 116 OK 45 77 - 59 - 2.2/11087=27...(10) Peak 9402 from aliabs.peaks (6.94, 1.03, 24.44 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.76: QD TYR 112 + QD2 LEU 116 OK 57 68 - 84 - 9402=24, 9398/2.1=23...(19) QD PHE 23 + QD2 LEU 116 OK 45 100 - 45 - 9402=17, 9398/2.1=17...(11) HD2 HIS 10 - QD2 LEU 116 lone 9 100 - 9 - 9398/2.1=3, 8525/11092=2 Peak 9403 from aliabs.peaks (7.50, 1.03, 24.44 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.88: H TYR 70 + QD2 LEU 116 OK 81 92 - 88 - 6709=21, 2.9/9375=18...(22) HD1 TRP 88 + QD2 LEU 116 OK 37 68 - 54 - 9399/2.1=31, 9403=12...(9) Peak 9409 from aliabs.peaks (4.61, 6.56, 118.44 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9410 from aliabs.peaks (0.59, 6.56, 118.44 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.88: QD1 LEU 132 + QE TYR 117 OK 79 92 - 86 - 2.1/9571=48, 10294=43...(11) QD1 LEU 66 + QE TYR 117 OK 30 92 - 33 - ~11522=14, 9329/10189=7...(6) QG1 VAL 71 + QE TYR 117 OK 23 100 - 23 - 8755/8764=6...(5) Peak 9411 from aliabs.peaks (0.40, 6.56, 118.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.86: QD2 LEU 132 + QE TYR 117 OK 82 89 - 92 - 2.1/10294=49, 9571=40...(12) HG3 LYS 123 + QE TYR 117 OK 23 92 - 25 - 4515/10294=7...(7) Peak 9415 from aliabs.peaks (2.73, 4.30, 66.72 ppm; 4.71 A): 2 out of 9 assignments used, quality = 0.61: HB3 MET 46 + HA PRO 118 OK 56 96 - 58 - 9415=20, 1064/2.3=6...(21) HB3 GLU 120 + HA PRO 118 OK 11 98 - 11 - 4.6/9451=8, 9415=3 HB2 ASN 84 - HA PRO 118 lone 4 96 - 4 - 9415=2 HB3 ASP 13 - HA PRO 118 lone 3 89 - 4 - 8021/2.3=1 HB3 TYR 70 - HA PRO 118 lone 2 100 - 2 - HB2 ASN 54 - HA PRO 118 lone 1 68 - 2 - HB2 ASN 96 - HA PRO 118 lone 1 68 - 2 - HB3 PHE 43 - HA PRO 118 lone 1 62 - 2 - HB3 ASP 16 - HA PRO 118 lone 1 72 - 1 - Peak 9416 from aliabs.peaks (2.88, 4.30, 66.72 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.54: HB2 CYS 121 + HA PRO 118 OK 54 89 - 61 - 9416=42, 1.8/10241=22...(4) HB3 ASP 32 - HA PRO 118 poor 10 72 - 13 - 9416=8, 8090/3.6=3, 7470/3.6=2 Peak 9421 from aliabs.peaks (0.53, 3.10, 61.73 ppm; 4.56 A): 0 out of 1 assignment used, low quality = 0.00: QD1 ILE 58 - HA TYR 119 lone 5 62 - 9 - 10719/3.0=3, 11033/3.0=2 Peak 9425 from aliabs.peaks (7.13, 4.30, 66.72 ppm; 5.33 A): 3 out of 3 assignments used, quality = 0.64: QD PHE 106 + HA PRO 118 OK 45 99 - 46 - 9426/2.3=14, 9425=14...(5) QD TYR 117 + HA PRO 118 OK 23 92 - 25 - 9426/2.3=7, 9425=6...(4) HZ PHE 106 + HA PRO 118 OK 15 100 - 15 - 3.8/9425=11, 10235/2.3=1 Peak 9428 from aliabs.peaks (7.12, 3.10, 61.73 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.85: QE PHE 45 + HA TYR 119 OK 72 89 - 81 - 9428=35, 2.2/10236=22...(13) QD PHE 106 + HA TYR 119 OK 41 98 - 42 - 9427/2.8=12, 9428=12...(11) HZ PHE 106 + HA TYR 119 OK 12 92 - 13 - 3.8/9428=7, 5.8/3982=1 Peak 9429 from aliabs.peaks (7.00, 3.10, 61.73 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.81: HZ PHE 45 + HA TYR 119 OK 72 100 - 72 - 2.2/9428=33...(11) HH2 TRP 17 + HA TYR 119 OK 22 98 - 22 - 9429=10, 4.3/4770=9, 5588/9428=2 HZ PHE 67 + HA TYR 119 OK 12 85 - 14 - 9429=7, 10683/10693=1 HE21 GLN 25 - HA TYR 119 lone 9 99 - 9 - 9813/9421=2, 4.4/10705=1 Peak 9435 from aliabs.peaks (0.86, 2.78, 38.09 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.95: HB3 LEU 42 + HB3 TYR 119 OK 91 92 - 99 - ~8160=41, ~8160=41...(16) QG2 ILE 83 + HB3 TYR 119 OK 39 99 - 39 - 4.3/6931=9, 3.1/10028=8...(8) QD1 LEU 64 - HB3 TYR 119 OK 16 94 - 17 - 2.1/9844=6, 949/11105=3 QD2 LEU 97 - HB3 TYR 119 OK 13 85 - 15 - 9126/3.0=8, 8855/2549=2 Peak 9442 from aliabs.peaks (6.74, 4.16, 60.17 ppm; 4.45 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9444 from aliabs.peaks (7.14, 2.09, 34.87 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.68: QD PHE 106 + HG2 GLU 122 OK 43 85 - 50 - 9445/1.8=22, 9444=22...(5) HZ PHE 106 + HG2 GLU 122 OK 28 94 - 30 - 3.8/9444=18, 9445/1.8=10...(4) QD TYR 117 + HG2 GLU 122 OK 22 100 - 22 - 9444=10, 9445/1.8=7, 9921/3.9=2 Peak 9445 from aliabs.peaks (7.13, 2.01, 34.87 ppm; 4.90 A): 3 out of 3 assignments used, quality = 0.59: QD PHE 106 + HG3 GLU 122 OK 42 98 - 43 - 9444/1.8=22, 9921/3.9=8...(6) HZ PHE 106 + HG3 GLU 122 OK 18 100 - 18 - 9444/1.8=11, 9921/3.9=3 QD TYR 117 + HG3 GLU 122 OK 14 94 - 14 - 9444/1.8=9, 9921/3.9=2 Peak 9446 from aliabs.peaks (7.12, 1.53, 29.51 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.93: QE PHE 45 + HB2 GLU 122 OK 83 89 - 93 - 9446=38, 10321/1.8=26...(16) QD PHE 106 + HB2 GLU 122 OK 49 98 - 50 - 9444/3.0=18, 9445/3.0=13...(9) HZ PHE 106 + HB2 GLU 122 OK 20 92 - 22 - 3.8/9446=7, 9445/3.0=6...(5) Peak 9453 from aliabs.peaks (1.12, 2.09, 34.87 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.96: HD2 LYS 123 + HG2 GLU 122 OK 96 100 - 96 - 1.8/9458=28, 9455/1.8=26...(27) QB ALA 105 - HG2 GLU 122 OK 31 72 - 43 - ~9459=10, ~9459=9...(9) Peak 9454 from aliabs.peaks (0.37, 2.09, 34.87 ppm; 5.89 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9455 from aliabs.peaks (1.11, 2.01, 34.87 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.96: HD2 LYS 123 + HG3 GLU 122 OK 96 98 - 98 - 9453/1.8=36, ~9458=31...(27) Peak 9456 from aliabs.peaks (1.20, 2.01, 34.87 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.57: QD1 LEU 26 + HG3 GLU 122 OK 34 94 - 37 - 2.1/10583=4, 269/1.8=4...(15) QG2 THR 107 + HG3 GLU 122 OK 25 81 - 30 - 4.0/9240=10, 9458/1.8=6...(8) HG13 ILE 56 + HG3 GLU 122 OK 14 99 - 14 - 9458/1.8=3, ~1480=1 HB3 LEU 108 - HG3 GLU 122 lone 7 77 - 8 - 3414/9459=3 Peak 9457 from aliabs.peaks (0.41, 2.01, 34.87 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.88: QD2 LEU 132 + HG3 GLU 122 OK 67 100 - 68 - 11034/3.0=20...(20) HG3 LYS 123 + HG3 GLU 122 OK 65 68 - 96 - 2.9/9455=23, ~9453=19...(28) Peak 9458 from aliabs.peaks (1.22, 2.09, 34.87 ppm; 5.71 A): 2 out of 3 assignments used, quality = 0.83: HD3 LYS 123 + HG2 GLU 122 OK 78 81 - 96 - 1.8/9453=32, ~9455=25...(25) QG2 THR 107 + HG2 GLU 122 OK 21 100 - 21 - 9456/1.8=6, 9458=5...(6) HG13 ILE 56 - HG2 GLU 122 poor 9 62 - 15 - ~9456=4, 9456/1.8=4, ~1480=1 Peak 9459 from aliabs.peaks (3.10, 2.01, 34.87 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.86: HA TYR 119 + HG3 GLU 122 OK 73 92 - 80 - 4064/3.0=27, 4072/3.0=25...(13) HA ALA 105 + HG3 GLU 122 OK 48 92 - 52 - 2.1/9455=15, 4072/3.0=10...(8) HB3 HIS 10 - HG3 GLU 122 lone 2 72 - 3 - Peak 9461 from aliabs.peaks (6.27, 2.35, 41.80 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9462 from aliabs.peaks (6.25, 2.64, 41.80 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.55: QE TYR 119 + HE3 LYS 123 OK 55 81 - 67 - 9464/3.8=43, 9463/3.8=41 Peak 9463 from aliabs.peaks (6.25, 0.34, 22.91 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.91: QE TYR 119 + HG2 LYS 123 OK 91 96 - 95 - 9464/1.8=50, 9462/3.8=49...(8) HZ PHE 38 - HG2 LYS 123 lone 6 72 - 9 - 5676/11607=3, 9464/1.8=2 Peak 9464 from aliabs.peaks (6.25, 0.39, 22.91 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.84: QE TYR 119 + HG3 LYS 123 OK 84 96 - 87 - 9463/1.8=50, 9462/3.8=49...(5) HZ PHE 38 - HG3 LYS 123 lone 5 72 - 7 - 9463/1.8=3, 4741/4144=1 Peak 9465 from aliabs.peaks (0.73, 1.51, 31.59 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 87 + HB2 LYS 123 OK 76 92 - 82 - 9465=18, 2.1/9465=17...(23) Peak 9466 from aliabs.peaks (1.99, 0.34, 22.91 ppm; 6.80 A): 5 out of 11 assignments used, quality = 0.94: HB3 ARG 124 + HG2 LYS 123 OK 51 100 - 51 - 7552/4.8=23, 4.6/10326=8...(14) HB VAL 63 + HG2 LYS 123 OK 46 81 - 56 - 9468/3.8=12, 3.0/4130=5...(20) HB3 GLU 90 + HG2 LYS 123 OK 41 81 - 51 - 3.0/9808=17...(7) QE MET 113 + HG2 LYS 123 OK 40 81 - 49 - 9468/3.8=7, 9330/4134=6...(13) HB3 GLU 75 + HG2 LYS 123 OK 36 62 - 57 - 4.4/8650=28, 9468/3.8=10...(10) HG3 PRO 52 - HG2 LYS 123 OK 20 94 - 21 - 7528/5.0=6, 10329/3.8=3...(6) QE MET 59 - HG2 LYS 123 OK 20 62 - 32 - 9468/3.8=9, 10567/2.9=4...(9) HB2 GLN 111 - HG2 LYS 123 OK 18 100 - 18 - 10329/3.8=2, ~3615=2...(7) QE MET 11 - HG2 LYS 123 OK 17 100 - 17 - 10600/2984=4...(3) HB ILE 56 - HG2 LYS 123 OK 15 96 - 15 - 9470/2.9=3, 9468/3.8=2 HB2 GLU 142 - HG2 LYS 123 lone 8 85 - 9 - 7552/4.8=1 Peak 9468 from aliabs.peaks (1.98, 2.35, 41.80 ppm; 5.31 A): 0 out of 5 assignments used, low quality = 0.30: HB3 GLU 75 - HE2 LYS 123 OK 30 100 - 31 - 8639/3.8=15, 9470/3.0=14 HB ILE 56 - HE2 LYS 123 lone 7 89 - 8 - HB3 ARG 124 - HE2 LYS 123 lone 5 62 - 9 - 9470/3.0=5, 9466/3.8=1 HB2 GLU 142 - HE2 LYS 123 lone 3 98 - 3 - HB3 MET 11 - HE2 LYS 123 lone 2 62 - 3 - 9470/3.0=1 Peak 9469 from aliabs.peaks (2.06, 2.35, 41.80 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.78: HG3 PRO 98 + HE2 LYS 123 OK 74 99 - 75 - ~4192=11, ~4192=10...(18) HB2 PRO 52 + HE2 LYS 123 OK 13 94 - 14 - ~10329=2, 2.3/9806=2...(4) HA ARG 35 - HE2 LYS 123 lone 7 89 - 7 - 6215/10331=4, 9781/9461=1 HB3 GLN 62 - HE2 LYS 123 lone 4 100 - 4 - Peak 9470 from aliabs.peaks (1.97, 1.12, 27.29 ppm; 5.75 A): 2 out of 4 assignments used, quality = 0.48: HB2 LYS 34 + HD2 LYS 123 OK 30 98 - 31 - 2.9/4153=7, ~4186=4...(7) HB3 GLU 75 + HD2 LYS 123 OK 25 81 - 31 - 9468/3.0=16, 8639/2.9=14 HB2 LYS 61 - HD2 LYS 123 lone 4 81 - 5 - ~9469=1 HB3 MET 11 - HD2 LYS 123 lone 3 99 - 3 - Peak 9477 from aliabs.peaks (0.79, 3.32, 40.91 ppm; 3.92 A): 4 out of 6 assignments used, quality = 0.93: QD1 LEU 79 + HD2 ARG 124 OK 69 94 - 73 - 2.1/9478=28, 11070/3.0=9...(20) QD2 LEU 126 + HD2 ARG 124 OK 55 62 - 88 - 2.1/10254=18, ~10255=13...(30) QD2 LEU 95 + HD2 ARG 124 OK 31 98 - 32 - 10675/3.0=4, ~9479=3...(13) QD2 LEU 72 + HD2 ARG 124 OK 31 100 - 31 - 11609/3.8=6, 10675/3.0=5...(12) QG2 THR 74 - HD2 ARG 124 OK 19 92 - 20 - 11070/3.0=3, 9484/3.8=2...(9) QG1 VAL 80 - HD2 ARG 124 OK 19 62 - 30 - 9477=6, 11073/3.0=5...(8) Peak 9478 from aliabs.peaks (0.62, 3.32, 40.91 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.50: QD2 LEU 79 + HD2 ARG 124 OK 50 72 - 69 - 2.1/9477=13, 8726/1.8=10...(19) Peak 9479 from aliabs.peaks (0.80, 3.22, 40.91 ppm; 4.04 A): 2 out of 6 assignments used, quality = 0.97: QD2 LEU 126 + HD3 ARG 124 OK 90 98 - 92 - 2.1/10255=20...(29) QD1 LEU 79 + HD3 ARG 124 OK 70 100 - 71 - ~9478=21, 2.1/8726=12...(19) QG1 VAL 80 - HD3 ARG 124 OK 39 98 - 40 - 11073/3.0=7, 10682/1.8=7...(10) QD2 LEU 95 - HD3 ARG 124 OK 31 98 - 31 - 11070/3.0=5, 9477/1.8=4...(15) QG2 THR 74 - HD3 ARG 124 OK 26 100 - 26 - 11070/3.0=3, 9477/1.8=3...(10) QD2 LEU 72 - HD3 ARG 124 OK 24 81 - 30 - 11609/3.8=4, 10675/3.0=4...(12) Peak 9480 from aliabs.peaks (0.65, 3.22, 40.91 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 126 + HD3 ARG 124 OK 98 100 - 98 - 10255=30, 11072/3.0=27...(31) QD2 LEU 79 + HD3 ARG 124 OK 60 77 - 78 - 9478/1.8=13, 9480=12...(23) QD1 ILE 56 - HD3 ARG 124 OK 44 100 - 45 - 10597/3.0=12...(11) QD2 LEU 64 - HD3 ARG 124 OK 40 98 - 41 - 9480=7, 9478/1.8=7...(8) Peak 9481 from aliabs.peaks (0.80, 1.81, 31.29 ppm; 3.93 A): 3 out of 6 assignments used, quality = 0.97: QD2 LEU 126 + HB2 ARG 124 OK 81 85 - 94 - 2.1/9482=22, ~10259=14...(37) QD1 LEU 79 + HB2 ARG 124 OK 71 100 - 71 - 11070/3.0=10, ~8735=9...(26) QD2 LEU 72 + HB2 ARG 124 OK 49 96 - 51 - 11609/1.8=9, 2144=5...(21) QG1 VAL 80 - HB2 ARG 124 OK 38 85 - 44 - 9484/1.8=7, 9954/3.0=7...(12) QD2 LEU 95 - HB2 ARG 124 OK 32 100 - 32 - 11070/3.0=4, 9484/1.8=4...(11) QG2 THR 74 - HB2 ARG 124 OK 29 100 - 29 - 4.0/4212=5, 9484/1.8=4...(11) Peak 9482 from aliabs.peaks (0.65, 1.81, 31.29 ppm; 4.97 A): 4 out of 4 assignments used, quality = 1.00: QD1 LEU 126 + HB2 ARG 124 OK 99 100 - 99 - 10259/3.0=34...(37) QD2 LEU 79 + HB2 ARG 124 OK 60 72 - 83 - 9483/1.8=15, 9478/3.8=12...(26) QD1 ILE 56 + HB2 ARG 124 OK 57 100 - 57 - 10597/3.0=14...(15) QD2 LEU 64 + HB2 ARG 124 OK 46 99 - 46 - 9483/1.8=10, 11071/3.0=8...(12) Peak 9483 from aliabs.peaks (0.65, 1.99, 31.29 ppm; 4.38 A): 4 out of 4 assignments used, quality = 1.00: QD1 LEU 126 + HB3 ARG 124 OK 99 100 - 99 - 9482/1.8=28...(38) QD2 LEU 79 + HB3 ARG 124 OK 57 72 - 79 - 9483=16, 10676/3.0=9...(29) QD1 ILE 56 + HB3 ARG 124 OK 54 100 - 54 - 10597/3.0=11, 9482/1.8=7...(16) QD2 LEU 64 + HB3 ARG 124 OK 48 99 - 48 - 9483=11, 11071/3.0=6...(11) Peak 9484 from aliabs.peaks (0.80, 1.99, 31.29 ppm; 4.15 A): 4 out of 6 assignments used, quality = 0.99: QD2 LEU 126 + HB3 ARG 124 OK 82 85 - 96 - 2.1/11081=22...(37) QD1 LEU 79 + HB3 ARG 124 OK 70 100 - 70 - 11070/3.0=11...(24) QD2 LEU 72 + HB3 ARG 124 OK 56 96 - 58 - 11609=12, 9481/1.8=7...(21) QG1 VAL 80 + HB3 ARG 124 OK 46 85 - 54 - 9484=9, 9481/1.8=9...(14) QG2 THR 74 - HB3 ARG 124 OK 37 100 - 37 - 4.0/4221=7, 4.3/6796=5...(13) QD2 LEU 95 - HB3 ARG 124 OK 35 100 - 35 - 11070/3.0=5, 9481/1.8=4...(14) Peak 9485 from aliabs.peaks (0.90, 1.81, 31.29 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.96: QG2 VAL 80 + HB2 ARG 124 OK 74 99 - 75 - 9952/3.0=16, ~9954=14...(18) QG2 ILE 136 + HB2 ARG 124 OK 69 92 - 75 - 10333/3.8=13...(30) QG2 ILE 56 + HB2 ARG 124 OK 56 77 - 73 - ~10597=13, 10143/3.8=12...(17) QD1 LEU 97 - HB2 ARG 124 OK 14 94 - 15 - 10134/4.6=3, 9129/1.8=2 QG2 ILE 101 - HB2 ARG 124 OK 13 85 - 16 - 10143/3.8=4 QD1 ILE 101 - HB2 ARG 124 poor 10 92 - 11 - 9181/37=1, ~1459=1 Peak 9486 from aliabs.peaks (4.16, 3.32, 40.91 ppm; 6.80 A): 4 out of 8 assignments used, quality = 0.95: HA LEU 126 + HD2 ARG 124 OK 82 94 - 87 - 4.0/10254=26...(15) HA3 GLY 125 + HD2 ARG 124 OK 52 100 - 52 - ~4230=19, ~4239=19...(7) HA LYS 76 + HD2 ARG 124 OK 31 100 - 31 - ~10679=9, 9486=5...(7) HA GLU 131 + HD2 ARG 124 OK 14 77 - 18 - 10289/5.2=5, 9486=2...(7) HA GLU 120 - HD2 ARG 124 lone 7 92 - 8 - 4013/11074=2, 9486=1 HB3 SER 44 - HD2 ARG 124 lone 6 100 - 6 - 9486=1 HB2 SER 44 - HD2 ARG 124 lone 6 99 - 6 - 1.8/9486=1 HA PHE 38 - HD2 ARG 124 lone 3 72 - 4 - Peak 9492 from aliabs.peaks (3.72, 0.65, 24.26 ppm; 3.70 A): 2 out of 4 assignments used, quality = 0.84: HB THR 74 + QD1 LEU 126 OK 81 100 - 82 - 8605=28, 3.0/9493=27...(24) HA ILE 136 + QD1 LEU 126 OK 12 85 - 14 - 6781/9496=2, 3.7/10257=2...(6) HA ILE 91 - QD1 LEU 126 lone 9 98 - 9 - 9928/11376=2 HA THR 107 - QD1 LEU 126 lone 6 96 - 6 - Peak 9493 from aliabs.peaks (3.42, 0.65, 24.26 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.89: HA THR 74 + QD1 LEU 126 OK 84 99 - 85 - 9493=31, 3.0/9492=20...(29) HB3 TYR 112 + QD1 LEU 126 OK 31 98 - 32 - 2.9/9303=10, 4.0/9299=10...(9) HD2 PRO 98 - QD1 LEU 126 lone 4 89 - 5 - Peak 9494 from aliabs.peaks (2.29, 0.65, 24.26 ppm; 3.69 A): 4 out of 4 assignments used, quality = 0.64: HG3 GLU 81 + QD1 LEU 126 OK 30 100 - 30 - 9969/2.1=8, 8771/10258=5...(9) HG3 GLU 75 + QD1 LEU 126 OK 21 99 - 22 - 9989/2.1=5, 3.0/9495=4...(6) HG2 GLU 120 + QD1 LEU 126 OK 20 85 - 24 - 10340/4.7=5, 9989/2.1=4...(8) HG3 GLU 120 + QD1 LEU 126 OK 19 99 - 19 - 9989/2.1=6, 11582/3.1=4...(6) Peak 9495 from aliabs.peaks (1.99, 0.65, 24.26 ppm; 3.67 A): 3 out of 7 assignments used, quality = 0.93: HB3 ARG 124 + QD1 LEU 126 OK 86 92 - 93 - 3.0/10259=20...(36) HB2 GLN 111 + QD1 LEU 126 OK 30 89 - 34 - 4.6/9299=8, 2.9/10181=6...(8) HB ILE 56 + QD1 LEU 126 OK 27 100 - 27 - 1456=3, 10683/2.1=3...(9) HB3 GLU 75 - QD1 LEU 126 OK 23 94 - 25 - 3.0/9494=7, 11081/2.1=4...(6) HB2 GLU 142 - QD1 LEU 126 OK 23 100 - 23 - ~10680=4, 10683/2.1=3...(7) QE MET 11 - QD1 LEU 126 lone 7 85 - 8 - HG3 PRO 52 - QD1 LEU 126 lone 5 62 - 8 - 2.3/10258=2, 11592=1 Peak 9496 from aliabs.peaks (8.24, 0.65, 24.26 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.91: H THR 74 + QD1 LEU 126 OK 91 100 - 91 - 3.0/9493=41...(23) Peak 9497 from aliabs.peaks (8.33, 0.65, 24.26 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.88: H GLY 78 + QD1 LEU 126 OK 86 92 - 94 - 3.0/10256=34...(17) H VAL 71 + QD1 LEU 126 OK 13 77 - 16 - 3.8/10593=7, ~8496=2 Peak 9501 from aliabs.peaks (2.46, 3.84, 64.70 ppm; 4.52 A): 3 out of 3 assignments used, quality = 0.76: HG3 GLU 131 + HB2 SER 127 OK 60 100 - 60 - 10288=19, 9502/1.8=18...(7) HB3 GLU 131 + HB2 SER 127 OK 31 68 - 46 - 2.9/10288=15...(6) HG3 GLU 28 + HB2 SER 127 OK 16 100 - 15 - 9502/1.8=8, ~10262=3, 9498/4.7=2 Peak 9502 from aliabs.peaks (2.46, 4.00, 64.70 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.78: HG3 GLU 131 + HB3 SER 127 OK 60 100 - 60 - 9501/1.8=25, ~9501=18...(6) HB3 GLU 131 + HB3 SER 127 OK 34 68 - 50 - ~9501=15, ~10288=14...(6) HG3 GLU 28 + HB3 SER 127 OK 18 100 - 18 - 9501/1.8=8, 3.0/10262=5...(4) Peak 9503 from aliabs.peaks (2.59, 5.28, 50.43 ppm; 5.89 A): 0 out of 1 assignment used, low quality = 0.12: HB2 ASP 16 - HA ASN 128 OK 12 85 - 13 - 3.0/10360=7, 4361/3.8=1 Peak 9504 from aliabs.peaks (2.26, 5.28, 50.43 ppm; 4.40 A): 2 out of 9 assignments used, quality = 1.00: HG3 PRO 129 + HA ASN 128 OK 99 100 - 99 - 9528=49, 2.3/4347=46...(32) HG2 GLU 131 + HA ASN 128 OK 60 68 - 88 - ~9518=15, ~9565=13...(26) HG3 GLU 90 - HA ASN 128 OK 30 100 - 30 - 9504=4, 4363/3.8=4...(14) HB3 MET 113 - HA ASN 128 OK 27 81 - 33 - 9504=5, 4355/3.8=4...(13) HG3 GLN 62 - HA ASN 128 OK 26 100 - 26 - 9514/4.6=4, 4355/3.8=3...(13) HG2 GLN 62 - HA ASN 128 OK 26 100 - 26 - 9514/4.6=4, 4355/3.8=3...(12) HG2 MET 113 - HA ASN 128 OK 25 89 - 29 - 3.0/9504=3, 9504=3...(15) HG3 GLU 142 - HA ASN 128 OK 22 68 - 32 - 10395/2.9=5, 9504=5...(12) HG2 GLU 90 - HA ASN 128 OK 19 72 - 26 - 9504=4, 4363/3.8=4...(11) Peak 9505 from aliabs.peaks (2.09, 5.28, 50.43 ppm; 5.39 A): 3 out of 11 assignments used, quality = 1.00: HB2 PRO 129 + HA ASN 128 OK 99 100 - 100 - 3.0/4347=49, 3.0/4349=48...(30) HB2 GLU 131 + HA ASN 128 OK 96 99 - 97 - 11644/2.9=28, ~9517=26...(29) HB3 GLU 142 + HA ASN 128 OK 49 96 - 51 - 9500/2.9=10, ~10395=8...(17) HG3 PRO 33 - HA ASN 128 OK 30 100 - 30 - ~9518=3, 9500/2.9=3...(14) HB3 LYS 61 - HA ASN 128 OK 29 96 - 30 - 4360/3.8=5, 4352/3.8=4...(11) HG2 PRO 33 - HA ASN 128 OK 29 89 - 32 - 10525/4.8=7, ~9518=3...(13) HB3 GLN 25 - HA ASN 128 OK 24 85 - 28 - 212/9529=5, 4360/3.8=4...(10) HD2 ARG 49 - HA ASN 128 OK 24 92 - 26 - 4352/3.8=5, 4360/3.8=5...(10) HB3 LYS 36 - HA ASN 128 OK 19 81 - 23 - 10612=15, 9500/2.9=2, 9512/4.6=2 HG2 GLU 122 - HA ASN 128 OK 14 100 - 14 - 4368/4.8=2, 4360/3.8=2...(7) HB2 LEU 26 - HA ASN 128 OK 13 89 - 14 - 4360/3.8=2, 4352/3.8=2...(7) Peak 9506 from aliabs.peaks (3.93, 2.80, 39.64 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.95: HD2 PRO 129 + HB2 ASN 128 OK 86 89 - 97 - 4.8=38, 4347/3.0=23...(37) HD3 PRO 129 + HB2 ASN 128 OK 60 62 - 97 - 4.8=38, 1.8/10369=19...(36) HA2 GLY 143 - HB2 ASN 128 OK 18 89 - 20 - 4348/3.0=5, 4364/4.8=4...(6) HA TYR 112 - HB2 ASN 128 lone 6 98 - 6 - 4364/4.8=2, 4348/3.0=2 HA LEU 29 - HB2 ASN 128 lone 5 68 - 8 - 4350/3.0=2, 3.7/10533=2 Peak 9507 from aliabs.peaks (3.94, 3.00, 39.64 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.94: HD3 PRO 129 + HB3 ASN 128 OK 83 85 - 97 - 4.8=39, 4349/3.0=22...(38) HD2 PRO 129 + HB3 ASN 128 OK 65 68 - 97 - 4.8=39, 9506/1.8=17...(38) HA LYS 86 - HB3 ASN 128 OK 23 81 - 28 - 4348/3.0=6, 3.0/10272=5...(9) HA2 GLY 143 - HB3 ASN 128 OK 12 68 - 17 - 4350/3.0=5, 9506/1.8=3...(6) HA LEU 29 - HB3 ASN 128 lone 8 89 - 9 - 4350/3.0=3, 9506/1.8=1 HA TYR 112 - HB3 ASN 128 lone 4 85 - 5 - 4348/3.0=1, 9506/1.8=1 Peak 9515 from aliabs.peaks (2.08, 3.00, 39.64 ppm; 5.02 A): 2 out of 9 assignments used, quality = 1.00: HB2 PRO 129 + HB3 ASN 128 OK 96 96 - 100 - 4.1/10539=26, ~9528=25...(39) HB2 GLU 131 + HB3 ASN 128 OK 96 98 - 98 - 1.8/9517=38...(31) HB3 GLU 142 - HB3 ASN 128 OK 30 62 - 48 - 4.0/10357=6, 9500/3.9=6...(19) HG3 PRO 33 - HB3 ASN 128 OK 26 94 - 28 - ~9518=3, 10264/1.8=3...(14) HB3 LYS 61 - HB3 ASN 128 OK 24 100 - 24 - 4360/4.8=3, 4352/4.8=3...(10) HD2 ARG 49 - HB3 ASN 128 OK 16 100 - 16 - 4352/4.8=4, 4360/4.8=3...(5) HB2 LEU 26 - HB3 ASN 128 lone 8 100 - 8 - 4360/4.8=2, 4352/4.8=2 HG2 GLU 122 - HB3 ASN 128 lone 8 77 - 10 - 10264/1.8=1, 4360/4.8=1...(4) HA ARG 35 - HB3 ASN 128 lone 1 81 - 1 - Peak 9516 from aliabs.peaks (2.28, 3.00, 39.64 ppm; 4.33 A): 2 out of 9 assignments used, quality = 0.98: HG2 GLU 131 + HB3 ASN 128 OK 93 100 - 93 - 2.9/9517=24, ~9518=20...(26) HG3 PRO 129 + HB3 ASN 128 OK 72 72 - 99 - ~4347=22, ~4349=22...(40) HG3 GLU 142 - HB3 ASN 128 OK 40 100 - 40 - 10395/3.9=8, 9519/1.8=7...(15) HB3 MET 113 - HB3 ASN 128 OK 24 98 - 24 - 1.8/10272=4, 9519/1.8=4...(9) HG2 GLU 90 - HB3 ASN 128 OK 19 100 - 19 - 9519/1.8=3, 4363/4.8=2...(8) HG2 GLN 62 - HB3 ASN 128 OK 16 62 - 25 - 2.9/9515=4, ~9514=3...(14) HG2 GLU 120 - HB3 ASN 128 lone 9 94 - 10 - ~9503=5, 9519/1.8=2, ~9519=1 HG3 GLU 120 - HB3 ASN 128 lone 6 72 - 9 - ~9503=5, 9519/1.8=1, ~9519=1 HG3 GLU 75 - HB3 ASN 128 lone 4 72 - 5 - Peak 9517 from aliabs.peaks (2.46, 3.00, 39.64 ppm; 5.14 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLU 131 + HB3 ASN 128 OK 96 100 - 96 - 9565/1.8=28...(28) HB3 GLU 131 + HB3 ASN 128 OK 66 68 - 98 - 4.0/10357=26, ~9518=21...(31) HG3 GLU 28 - HB3 ASN 128 OK 13 100 - 12 - 9498/3.9=3, 9518/1.8=3 Peak 9518 from aliabs.peaks (2.45, 2.80, 39.64 ppm; 4.60 A): 3 out of 4 assignments used, quality = 0.84: HG3 GLU 131 + HB2 ASN 128 OK 80 85 - 93 - 1.8/9519=20, ~9517=20...(29) HB3 PRO 33 + HB2 ASN 128 OK 12 72 - 16 - 2.3/10264=2, 9510/3.4=2...(9) HG3 GLU 28 + HB2 ASN 128 OK 10 92 - 11 - 9517/1.8=3, 9498/3.9=3...(4) HG2 MET 11 - HB2 ASN 128 lone 4 94 - 4 - Peak 9519 from aliabs.peaks (2.28, 2.80, 39.64 ppm; 4.42 A): 2 out of 8 assignments used, quality = 0.93: HG2 GLU 131 + HB2 ASN 128 OK 89 98 - 91 - 1.8/9518=28, ~9517=18...(24) HG3 GLU 142 + HB2 ASN 128 OK 37 98 - 38 - 10395/3.9=8, 9516/1.8=6...(15) HB3 MET 113 - HB2 ASN 128 OK 19 92 - 21 - 9516/1.8=3, ~10272=3...(10) HG2 GLU 90 - HB2 ASN 128 OK 15 96 - 16 - 9516/1.8=3, ~9504=2...(7) HG2 GLU 120 - HB2 ASN 128 lone 9 99 - 9 - ~9503=5, 9516/1.8=1 HG3 GLU 120 - HB2 ASN 128 lone 7 85 - 9 - ~9503=5 HG3 GLU 81 - HB2 ASN 128 lone 4 68 - 5 - ~10263=2 HG3 GLU 75 - HB2 ASN 128 lone 3 85 - 4 - Peak 9520 from aliabs.peaks (0.90, 3.84, 64.70 ppm; 3.92 A): 4 out of 6 assignments used, quality = 0.89: QG2 VAL 80 + HB2 SER 127 OK 77 99 - 78 - 9951/1.8=34...(11) QG2 ILE 136 + HB2 SER 127 OK 31 92 - 34 - 9521/1.8=7, 10328=5...(9) QG2 ILE 101 + HB2 SER 127 OK 19 85 - 22 - 9521/1.8=4, 9169=4...(7) QD1 ILE 101 + HB2 SER 127 OK 19 92 - 20 - 9521/1.8=5, 3.1/9169=3...(5) QD1 LEU 97 - HB2 SER 127 lone 7 94 - 7 - 9521/1.8=1 QG2 ILE 56 - HB2 SER 127 lone 3 77 - 4 - Peak 9521 from aliabs.peaks (0.91, 4.00, 64.70 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.78: QG2 VAL 80 + HB3 SER 127 OK 78 99 - 79 - 9951=38, 9520/1.8=19...(12) HB2 LEU 64 - HB3 SER 127 lone 6 89 - 6 - 10365/4.0=3 QD2 LEU 29 - HB3 SER 127 lone 4 68 - 6 - 9520/1.8=2, 9558/9502=1 QD1 LEU 97 - HB3 SER 127 lone 3 62 - 5 - 9520/1.8=1 Peak 9525 from aliabs.peaks (2.97, 3.95, 50.80 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.59: HB2 ASP 30 + HD3 PRO 129 OK 35 100 - 35 - 10284/3.0=7, 9527/2.3=6...(13) HA VAL 71 + HD3 PRO 129 OK 28 94 - 30 - 9527/2.3=10, 10284/3.0=6...(7) HB3 TYR 27 + HD3 PRO 129 OK 11 99 - 11 - 9527/2.3=4, 10284/3.0=3 HB2 HIS 14 - HD3 PRO 129 lone 4 100 - 4 - 10284/3.0=1 Peak 9526 from aliabs.peaks (2.80, 3.95, 50.80 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.99: HB2 ASN 128 + HD3 PRO 129 OK 99 100 - 99 - 4.8=52, 3.0/4349=33...(37) HB3 ASN 139 - HD3 PRO 129 OK 32 100 - 32 - 10369/1.8=8, ~10382=6...(9) HB3 ASP 41 - HD3 PRO 129 OK 17 100 - 16 - 10369/1.8=4, 4331/3.8=4...(6) HB3 ASN 84 - HD3 PRO 129 lone 2 92 - 2 - Peak 9527 from aliabs.peaks (2.97, 2.26, 27.79 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.74: HB2 ASP 30 + HG3 PRO 129 OK 53 98 - 54 - 9525/2.3=20...(13) HA VAL 71 + HG3 PRO 129 OK 31 72 - 43 - 10284/2.3=16...(5) HB3 TYR 27 + HG3 PRO 129 OK 22 100 - 21 - 10284/2.3=8, 9525/2.3=7 HB2 HIS 14 - HG3 PRO 129 lone 9 94 - 10 - 10284/2.3=3, 9525/2.3=3 HB2 PHE 106 - HG3 PRO 129 poor 8 62 - 12 - ~9230=2, ~5639=1...(5) HB3 PHE 67 - HG3 PRO 129 lone 2 62 - 3 - Peak 9528 from aliabs.peaks (5.26, 2.26, 27.79 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.67: HA ASN 128 + HG3 PRO 129 OK 67 68 - 99 - 9529/1.8=39, 4347/2.3=34...(28) Peak 9529 from aliabs.peaks (5.26, 2.17, 27.79 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9530 from aliabs.peaks (6.55, 2.60, 31.98 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.75: QE TYR 117 + HB3 PRO 129 OK 75 96 - 78 - 9530=37, 9532/2.3=31...(6) Peak 9531 from aliabs.peaks (6.55, 2.17, 27.79 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.46: QE TYR 117 + HG2 PRO 129 OK 46 72 - 63 - 9530/2.3=38, 9532/1.8=32...(4) Peak 9532 from aliabs.peaks (6.56, 2.26, 27.79 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.71: QE TYR 117 + HG3 PRO 129 OK 71 100 - 72 - 9530/2.3=41, 9531/1.8=28...(9) Peak 9539 from aliabs.peaks (2.44, 2.82, 37.39 ppm; 4.99 A): 4 out of 7 assignments used, quality = 0.83: HB3 PRO 33 + HB2 ASN 130 OK 54 100 - 55 - 9542/1.8=25, 2.3/9541=18...(7) HG2 GLN 133 + HB2 ASN 130 OK 50 62 - 80 - 4.5/10389=22...(14) QE MET 46 + HB2 ASN 130 OK 17 68 - 26 - 10481=9, 10683/3.4=5...(5) HG2 MET 11 + HB2 ASN 130 OK 10 99 - 10 - 9542/1.8=5, 7653/4.7=1 HG3 GLN 47 - HB2 ASN 130 poor 10 81 - 12 - ~8179=3, 8179/3.0=3...(4) HG2 GLN 47 - HB2 ASN 130 poor 10 81 - 12 - ~8179=3, 8179/3.0=3...(4) HG2 MET 68 - HB2 ASN 130 lone 6 98 - 6 - 9542/1.8=2 Peak 9540 from aliabs.peaks (2.26, 2.82, 37.39 ppm; 6.80 A): 4 out of 9 assignments used, quality = 0.97: HG3 PRO 129 + HB2 ASN 130 OK 66 100 - 66 - 10379/4.0=34, 10382=22...(8) HG2 GLU 131 + HB2 ASN 130 OK 61 77 - 79 - 5.0/4423=38, ~9542=17...(11) HG2 GLN 62 + HB2 ASN 130 OK 53 100 - 53 - 11399/3.0=24, ~11399=18...(8) HG3 GLN 62 + HB2 ASN 130 OK 51 100 - 51 - 11399/3.0=21, ~11399=20...(7) HG3 GLU 142 - HB2 ASN 130 OK 37 77 - 48 - 3.0/9541=10, 9543/1.8=9...(10) HB3 MET 113 - HB2 ASN 130 OK 13 89 - 15 - 7620/4.0=4, 9543/1.8=2...(4) HG3 GLU 90 - HB2 ASN 130 OK 12 98 - 12 - 7620/4.0=4, ~9543=2...(4) HG2 GLU 90 - HB2 ASN 130 OK 11 81 - 14 - 7620/4.0=3, 9543/1.8=2...(4) HG2 MET 113 - HB2 ASN 130 lone 8 81 - 10 - ~9543=2, 7620/4.0=2, ~9543=2 Peak 9541 from aliabs.peaks (2.11, 2.82, 37.39 ppm; 5.95 A): 3 out of 7 assignments used, quality = 0.71: HG2 PRO 33 + HB2 ASN 130 OK 47 77 - 62 - ~9542=25, 9544/1.8=18...(7) HG2 PRO 118 + HB2 ASN 130 OK 30 99 - 31 - 9544/1.8=6, ~4415=4...(11) HB3 GLU 142 + HB2 ASN 130 OK 22 62 - 36 - 9544/1.8=10, 4.0/4423=7...(7) HB VAL 73 - HB2 ASN 130 lone 8 89 - 9 - 10689/10481=3...(4) HB3 LYS 36 - HB2 ASN 130 lone 6 85 - 7 - 9544/1.8=1 HB3 GLN 25 - HB2 ASN 130 lone 5 81 - 7 - 9544/1.8=2, 10489/10481=2 HG2 GLN 111 - HB2 ASN 130 lone 1 57 - 2 - Peak 9542 from aliabs.peaks (2.44, 2.94, 37.39 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.49: HB3 PRO 33 + HB3 ASN 130 OK 49 94 - 52 - ~9541=14, 2.3/9544=14...(8) HG2 MET 11 - HB3 ASN 130 lone 9 100 - 9 - 9539/1.8=3, 9545/4.0=1 HG3 GLU 28 - HB3 ASN 130 poor 7 68 - 11 - 8049=3, 1.8/8050=2...(4) HG2 MET 68 - HB3 ASN 130 lone 4 85 - 5 - 9539/1.8=1 Peak 9543 from aliabs.peaks (2.27, 2.94, 37.39 ppm; 6.80 A): 4 out of 9 assignments used, quality = 0.97: HG2 GLU 131 + HB3 ASN 130 OK 78 100 - 78 - 5.0/4430=38, 1.8/9542=18...(12) HG3 PRO 129 + HB3 ASN 130 OK 56 89 - 64 - 10379/4.0=28...(9) HG3 GLU 142 + HB3 ASN 130 OK 50 100 - 50 - 7652/4.7=11, 3.0/9544=11...(11) HG2 GLN 62 + HB3 ASN 130 OK 39 81 - 48 - ~11399=18, 11399/3.0=18...(6) HG3 GLN 62 - HB3 ASN 130 OK 35 77 - 45 - ~11399=20, 11399/3.0=10...(6) HB3 MET 113 - HB3 ASN 130 OK 15 100 - 14 - 7620/4.0=4, 7652/4.7=3...(4) HG2 GLU 90 - HB3 ASN 130 OK 13 100 - 13 - 7620/4.0=3, ~9540=2...(5) HG3 GLU 90 - HB3 ASN 130 poor 7 62 - 11 - 7620/4.0=3, 9540/1.8=2...(4) HG2 GLU 120 - HB3 ASN 130 lone 3 81 - 3 - Peak 9544 from aliabs.peaks (2.11, 2.94, 37.39 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.90: HG2 PRO 33 + HB3 ASN 130 OK 62 94 - 66 - 2.3/9542=34, 9541/1.8=22...(5) HB3 GLU 142 + HB3 ASN 130 OK 37 85 - 43 - 9541/1.8=10, 3.0/9543=10...(8) HG2 PRO 118 + HB3 ASN 130 OK 36 100 - 36 - 9541/1.8=12, ~10285=4...(11) HG2 GLU 122 + HB3 ASN 130 OK 33 72 - 45 - ~10324=8, ~4087=8...(10) HB3 LYS 36 - HB3 ASN 130 lone 9 98 - 9 - 9541/1.8=2 HB3 GLN 25 - HB3 ASN 130 lone 8 96 - 8 - 9541/1.8=2, 461/9542=1 HB VAL 73 - HB3 ASN 130 lone 6 68 - 9 - 9541/1.8=3, ~9921=2, ~9922=1 Peak 9554 from aliabs.peaks (0.80, 4.14, 58.26 ppm; 4.96 A): 3 out of 6 assignments used, quality = 0.95: QG1 VAL 80 + HA GLU 131 OK 86 96 - 89 - 9547/3.6=18...(19) QD2 LEU 126 + HA GLU 131 OK 45 96 - 47 - 10290/3.0=7, 9559/4.2=7...(14) QD2 LEU 95 + HA GLU 131 OK 31 99 - 31 - ~9553=10, ~10404=4...(8) QD1 LEU 79 - HA GLU 131 OK 19 100 - 19 - 9630/10391=3, 9559/4.2=2...(7) QG2 THR 74 - HA GLU 131 OK 13 100 - 13 - 9559/4.2=2, 9630/10391=2...(5) QD2 LEU 72 - HA GLU 131 lone 5 85 - 6 - Peak 9555 from aliabs.peaks (0.90, 4.14, 58.26 ppm; 5.27 A): 3 out of 6 assignments used, quality = 0.94: QG2 VAL 80 + HA GLU 131 OK 74 85 - 87 - 2.1/9554=25, 9958/3.0=18...(16) QD1 ILE 101 + HA GLU 131 OK 54 100 - 54 - 9552/3.0=9, 10131/4.2=8...(13) QG2 ILE 101 + HA GLU 131 OK 47 99 - 47 - 9552/3.0=8, ~9550=6...(14) QG2 ILE 136 - HA GLU 131 OK 15 100 - 15 - 9552/3.0=3, 9563/4.2=3...(7) QD1 LEU 97 - HA GLU 131 OK 15 100 - 15 - 9552/3.0=4, 9563/4.2=2...(6) QG2 ILE 56 - HA GLU 131 lone 6 96 - 6 - ~9549=1 Peak 9556 from aliabs.peaks (1.51, 2.47, 30.00 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.66: HG13 ILE 101 + HB3 GLU 131 OK 39 62 - 63 - 9550/4.0=13, ~10131=10...(11) HG2 LYS 34 + HB3 GLU 131 OK 36 100 - 36 - 9550/4.0=9, 9556=8...(8) HD3 LYS 114 + HB3 GLU 131 OK 13 57 - 23 - 9550/4.0=6, 9556=4...(6) HB2 LYS 123 - HB3 GLU 131 lone 8 94 - 9 - 9556=2, 9550/4.0=2 HG3 PRO 57 - HB3 GLU 131 lone 6 77 - 7 - 9556=2, 9550/4.0=1 Peak 9557 from aliabs.peaks (0.80, 2.47, 30.00 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.99: QG1 VAL 80 + HB3 GLU 131 OK 96 98 - 98 - 9990/2.9=26, ~8750=24...(23) QD2 LEU 126 + HB3 GLU 131 OK 72 98 - 74 - 9562/2.9=12, 3.9/4448=12...(20) QD2 LEU 95 - HB3 GLU 131 OK 44 98 - 45 - ~9554=11, ~10404=8...(10) QD1 LEU 79 - HB3 GLU 131 OK 29 100 - 29 - 9554/3.0=5, 9562/2.9=4...(10) QG2 THR 74 - HB3 GLU 131 OK 19 100 - 19 - 9554/3.0=3, 9562/2.9=3...(7) QD2 LEU 72 - HB3 GLU 131 lone 8 81 - 9 - 8493/10394=1...(4) Peak 9558 from aliabs.peaks (0.91, 2.47, 30.00 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 80 + HB3 GLU 131 OK 99 100 - 99 - ~10404=28, 8750/2.9=27...(29) QD1 ILE 101 + HB3 GLU 131 OK 53 72 - 73 - 2.1/9556=16, 9563/2.9=10...(18) QG2 ILE 101 - HB3 GLU 131 OK 45 62 - 72 - 3.2/9556=14, ~10131=9...(19) QG2 ILE 136 - HB3 GLU 131 OK 19 72 - 26 - 9563/2.9=4, ~9559=4...(8) QD1 LEU 97 - HB3 GLU 131 OK 16 77 - 21 - 9552/4.0=4, 9563/2.9=3...(5) HB2 LEU 64 - HB3 GLU 131 OK 13 77 - 17 - 3.8/10394=5, 9558=2...(6) Peak 9559 from aliabs.peaks (0.79, 2.27, 36.81 ppm; 4.13 A): 0 out of 18 assignments used, low quality = 0.10: QD2 LEU 95 - HG2 GLU 131 OK 10 85 - 12 - ~10404=3, 9076/1.8=3...(4) QD1 ILE 136 - HG2 GLU 131 lone 7 81 - 8 - ~9563=2 QD2 LEU 72 - HG2 GLU 120 lone 6 62 - 9 - 3.9/11519=1...(4) QD1 LEU 79 - HG2 GLU 131 lone 6 77 - 7 - 9076/1.8=2 QG2 THR 74 - HG2 GLU 120 poor 4 39 - 10 - 4.3/6798=4, 9438/4.9=1 QD2 LEU 72 - HG2 GLU 131 lone 4 99 - 4 - QG2 THR 74 - HG2 GLU 131 lone 3 72 - 5 - QD2 LEU 72 - HG3 GLU 142 lone 3 63 - 5 - 11609/3.0=1 QD1 LEU 79 - HG3 GLU 142 lone 3 44 - 7 - ~8735=2, ~8735=1 QG2 VAL 73 - HG2 GLU 120 lone 2 36 - 6 - QD1 ILE 136 - HG2 GLU 120 lone 2 45 - 5 - QD1 ILE 136 - HG3 GLU 142 lone 2 47 - 5 - QD1 LEU 79 - HG2 GLU 120 lone 2 42 - 4 - QG2 VAL 73 - HG2 GLU 131 lone 2 68 - 3 - QD2 LEU 95 - HG2 GLU 120 lone 2 48 - 3 - 9438/4.9=1 QG2 THR 74 - HG3 GLU 142 lone 1 41 - 3 - QD2 LEU 95 - HG3 GLU 142 lone 1 50 - 2 - QG2 VAL 73 - HG3 GLU 142 lone 1 37 - 2 - Peak 9560 from aliabs.peaks (0.89, 2.27, 36.81 ppm; 6.80 A): 3 out of 18 assignments used, quality = 0.95: QD1 ILE 101 + HG2 GLU 131 OK 65 100 - 65 - 10131=12, ~9556=11...(13) QG2 ILE 101 + HG2 GLU 131 OK 62 100 - 63 - 3.1/10131=12, ~9556=10...(13) QG2 VAL 80 + HG2 GLU 131 OK 59 62 - 94 - ~9990=26, ~10404=25...(19) QG2 ILE 136 - HG2 GLU 131 OK 22 100 - 22 - 3.0/9559=5, 9552/5.0=3...(5) QD1 LEU 97 - HG2 GLU 131 OK 17 99 - 17 - 9552/5.0=3, 9555/4.2=3 QD1 ILE 101 - HG3 GLU 142 OK 16 65 - 25 - ~10182=13, 10131=4...(4) QG2 ILE 101 - HG3 GLU 142 OK 15 66 - 22 - ~10182=11, 3.1/10131=4...(4) QD1 LEU 97 - HG3 GLU 142 OK 12 63 - 19 - 9113/4.0=5, 9129/3.0=5, ~10130=3 QG2 ILE 136 - HG3 GLU 142 poor 8 65 - 12 - 3.0/9559=2, ~10466=1, ~10341=1 QG2 VAL 80 - HG3 GLU 142 poor 7 34 - 22 - 9958/5.0=5, 2.1/8758=2...(9) QD1 ILE 101 - HG2 GLU 120 poor 7 63 - 11 - ~10182=4, 10131=1 QG2 ILE 56 - HG3 GLU 142 lone 6 66 - 9 - ~4854=1, ~1480=1 QG2 ILE 101 - HG2 GLU 120 lone 6 64 - 10 - ~10182=4, 3.1/10131=1 QG2 ILE 136 - HG2 GLU 120 lone 6 63 - 10 - 3.0/9559=2, ~9675=1, ~9670=1 QG2 ILE 56 - HG2 GLU 131 lone 6 100 - 6 - 9524/9519=1, 9555/4.2=1 QG2 ILE 56 - HG2 GLU 120 lone 3 64 - 4 - QD1 LEU 97 - HG2 GLU 120 lone 3 62 - 4 - QG2 VAL 80 - HG2 GLU 120 lone 2 33 - 7 - 4.4/6880=2, ~9989=1 Peak 9561 from aliabs.peaks (1.48, 2.46, 36.81 ppm; 4.93 A): 4 out of 5 assignments used, quality = 0.95: QB ALA 134 + HG3 GLU 131 OK 76 100 - 76 - 4574/4.2=29, 9639/1.8=26...(8) HB3 LEU 29 + HG3 GLU 131 OK 53 100 - 53 - 10531/2.9=13, ~10291=8...(13) HG13 ILE 101 + HG3 GLU 131 OK 35 89 - 40 - 2.1/9563=8, ~10131=8...(10) HB2 LYS 76 + HG3 GLU 131 OK 34 92 - 37 - 10406/1.8=8, 2.9/4462=7...(11) HD3 LYS 114 - HG3 GLU 131 OK 11 92 - 12 - ~9567=2, 9561=2...(5) Peak 9562 from aliabs.peaks (0.81, 2.46, 36.81 ppm; 5.15 A): 2 out of 5 assignments used, quality = 0.96: QG1 VAL 80 + HG3 GLU 131 OK 92 100 - 92 - 2.1/8750=26, 9990=26...(22) QD2 LEU 126 + HG3 GLU 131 OK 53 100 - 53 - 9562=12, 9559/1.8=10...(11) QD2 LEU 95 - HG3 GLU 131 OK 24 85 - 28 - ~10404=5, 9559/1.8=4...(8) QD1 LEU 79 - HG3 GLU 131 OK 20 92 - 21 - 9559/1.8=3, 9562=3...(6) QG2 THR 74 - HG3 GLU 131 OK 14 94 - 14 - 9559/1.8=3, 9562=2...(5) Peak 9563 from aliabs.peaks (0.90, 2.46, 36.81 ppm; 5.07 A): 2 out of 6 assignments used, quality = 0.95: QG2 VAL 80 + HG3 GLU 131 OK 91 99 - 92 - 8750=27, 2.1/9990=24...(20) QD1 ILE 101 + HG3 GLU 131 OK 44 92 - 48 - 10131/1.8=10...(13) QG2 ILE 101 - HG3 GLU 131 OK 38 85 - 45 - ~10131=7, 10405/2.9=6...(12) QG2 ILE 136 - HG3 GLU 131 OK 20 92 - 22 - ~9559=3, 4.3/10471=3...(8) QD1 LEU 97 - HG3 GLU 131 OK 13 94 - 14 - 9552/5.0=2, 9555/4.2=2...(4) QG2 ILE 56 - HG3 GLU 131 lone 4 77 - 5 - Peak 9565 from aliabs.peaks (2.80, 2.46, 36.81 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.98: HB2 ASN 128 + HG3 GLU 131 OK 98 100 - 99 - 9565=36, ~9517=27...(34) HB3 ASN 139 - HG3 GLU 131 OK 13 100 - 13 - 9565=5, 7599/10396=2...(4) HB3 ASP 41 - HG3 GLU 131 OK 11 100 - 11 - 9565=4, 7599/10396=1...(4) HB3 ASN 84 - HG3 GLU 131 lone 4 92 - 4 - Peak 9566 from aliabs.peaks (2.96, 2.46, 36.81 ppm; 6.80 A): 9 out of 10 assignments used, quality = 0.94: HE2 LYS 85 + HG3 GLU 131 OK 37 96 - 38 - 9566=8, 1.8/9566=6...(9) HE2 LYS 48 + HG3 GLU 131 OK 32 99 - 32 - 9568/1.8=7, 9566=6...(7) HE3 LYS 85 + HG3 GLU 131 OK 30 81 - 37 - 1.8/9566=8, 9566=6...(8) HE3 LYS 48 + HG3 GLU 131 OK 29 92 - 32 - ~9568=7, 1.8/9566=6...(7) HE2 LYS 93 + HG3 GLU 131 OK 28 98 - 28 - 9566=6, 9568/1.8=5...(7) HB3 PHE 67 + HG3 GLU 131 OK 24 100 - 24 - 3.7/8401=11, 9566=5...(4) HB2 PHE 106 + HG3 GLU 131 OK 24 100 - 24 - 9566=5, 9568/1.8=5...(7) HE3 LYS 93 + HG3 GLU 131 OK 16 62 - 26 - 1.8/9566=6, ~9568=5...(6) HB2 TYR 115 + HG3 GLU 131 OK 14 99 - 15 - 9566=3, 9569/2.9=2...(5) HB3 TYR 27 - HG3 GLU 131 poor 8 68 - 12 - 4.7/6112=3, 9568/1.8=2, 9566=2 Peak 9567 from aliabs.peaks (2.75, 2.27, 36.81 ppm; 6.15 A): 8 out of 33 assignments used, quality = 0.83: HG3 MET 113 + HG2 GLU 131 OK 29 98 - 30 - ~4465=3, ~4465=3...(12) HG3 MET 113 + HG3 GLU 142 OK 28 62 - 45 - 3720/3.0=5, ~3712=4...(18) HB2 PHE 38 + HG2 GLU 120 OK 24 39 - 62 - 4017/3.0=9, ~810=8...(18) HE2 LYS 76 + HG2 GLU 131 OK 21 100 - 21 - 5.1/10406=7, 6.2/4455=4...(5) HE3 LYS 76 + HG2 GLU 131 OK 18 92 - 19 - 5.1/10406=7, 6.2/4455=4...(5) HE2 LYS 114 + HG2 GLU 131 OK 13 85 - 15 - ~9556=3, ~9561=2...(5) HE2 LYS 76 + HG2 GLU 120 OK 12 63 - 19 - 3.9/11553=4, 7.4/6810=4...(5) HB3 ASP 137 + HG2 GLU 131 OK 11 98 - 12 - 9707/9639=7, 9708/10131=1 HE3 LYS 76 - HG2 GLU 120 poor 10 54 - 19 - 3.9/11553=4, 7.4/6810=4...(4) HE2 LYS 76 - HG3 GLU 142 lone 6 65 - 9 - HB2 ASN 96 - HG2 GLU 131 lone 5 89 - 6 - 10121/9559=1 HE3 LYS 76 - HG3 GLU 142 lone 5 55 - 9 - HB3 PHE 43 - HG2 GLU 131 lone 5 92 - 5 - 9641/9639=2 HB3 PHE 43 - HG2 GLU 120 lone 5 54 - 9 - ~972=3, ~972=3 HG3 MET 113 - HG2 GLU 120 lone 4 60 - 7 - HB2 ASN 96 - HG3 GLU 142 lone 4 53 - 8 - 10123/4.0=4 HB3 ASP 40 - HG2 GLU 131 lone 3 100 - 3 - HB3 ASP 40 - HG2 GLU 120 lone 3 64 - 5 - ~11602=2 HB3 ASP 137 - HG3 GLU 142 lone 3 62 - 5 - 9707/9639=2 HB2 ASN 54 - HG3 GLU 142 lone 3 53 - 5 - ~11659=3 HE2 LYS 114 - HG3 GLU 142 lone 3 50 - 5 - HB2 PHE 38 - HG3 GLU 142 lone 2 41 - 6 - 806/4.9=2 HB2 ASN 54 - HG2 GLU 131 lone 2 89 - 3 - HB2 ASN 96 - HG2 GLU 120 lone 2 51 - 4 - HB2 PHE 38 - HG2 GLU 131 lone 2 72 - 3 - HB3 ASP 16 - HG2 GLU 131 lone 2 85 - 2 - HB3 ASP 16 - HG2 GLU 120 lone 2 48 - 4 - HB3 ASP 40 - HG3 GLU 142 lone 2 66 - 3 - HE2 LYS 114 - HG2 GLU 120 lone 2 48 - 4 - HB3 ASP 137 - HG2 GLU 120 lone 2 60 - 3 - HB3 PHE 43 - HG3 GLU 142 lone 2 55 - 3 - HB3 ASP 16 - HG3 GLU 142 lone 2 50 - 3 - HB2 ASN 54 - HG2 GLU 120 lone 1 51 - 2 - Peak 9569 from aliabs.peaks (2.95, 2.47, 30.00 ppm; 4.24 A): 6 out of 11 assignments used, quality = 0.68: HB3 ASN 130 + HB3 GLU 131 OK 30 68 - 45 - 4.7/7651=15, 4.0/9545=10...(10) HE2 LYS 85 + HB3 GLU 131 OK 17 100 - 17 - 9566/2.9=3, 3.5/9556=3...(7) HE3 LYS 85 + HB3 GLU 131 OK 16 96 - 17 - 9566/2.9=3, ~9566=3...(7) HE3 LYS 48 + HB3 GLU 131 OK 13 100 - 13 - 9566/2.9=3, ~9568=2...(6) HE2 LYS 48 + HB3 GLU 131 OK 13 100 - 13 - 9566/2.9=3, ~9566=2...(6) HE2 LYS 93 + HB3 GLU 131 OK 12 100 - 12 - 9566/2.9=3, 9568/2.9=2, ~9566=1 HB2 PHE 106 - HB3 GLU 131 lone 10 100 - 10 - 9566/2.9=2, ~9230=2...(4) HE3 LYS 93 - HB3 GLU 131 poor 9 85 - 11 - ~9566=2, ~9568=2...(4) HB3 PHE 67 - HB3 GLU 131 lone 8 100 - 8 - 3.7/8401=2, 9566/2.9=2 HB2 TYR 115 - HB3 GLU 131 lone 6 100 - 6 - 9589/4.6=2, 9566/2.9=1 HB2 TYR 119 - HB3 GLU 131 lone 1 72 - 2 - Peak 9570 from aliabs.peaks (7.16, 0.41, 25.33 ppm; 4.31 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9571 from aliabs.peaks (6.57, 0.41, 25.33 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.60: QE TYR 117 + QD2 LEU 132 OK 60 98 - 62 - 9411=23, 10294/2.1=14...(10) Peak 9572 from aliabs.peaks (3.83, 0.41, 25.33 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.95: HA GLN 133 + QD2 LEU 132 OK 77 92 - 84 - 2.8/7682=26, 9619=19...(20) HA LEU 66 + QD2 LEU 132 OK 60 99 - 60 - 1876/2.1=12, 4.0/4508=9...(18) HB2 SER 100 + QD2 LEU 132 OK 48 100 - 48 - 4.1/4502=7, 9164/3.2=7...(14) HB2 SER 127 - QD2 LEU 132 OK 22 85 - 25 - 9520/8756=6, 1.8/10293=6...(7) HA ALA 104 - QD2 LEU 132 OK 19 77 - 25 - 2.1/10979=6, 9583/2.1=3...(7) HA3 GLY 50 - QD2 LEU 132 lone 8 77 - 10 - ~6476=2, 9337/9330=2, ~1273=1 Peak 9573 from aliabs.peaks (3.15, 0.41, 25.33 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.63: HA LEU 79 + QD2 LEU 132 OK 59 72 - 82 - 3.8/8738=35...(12) HB2 TYR 70 + QD2 LEU 132 OK 10 98 - 10 - 1.8/9575=4, 9646/10318=1 HB2 TRP 17 - QD2 LEU 132 lone 2 92 - 2 - Peak 9575 from aliabs.peaks (2.73, 0.41, 25.33 ppm; 4.32 A): 2 out of 10 assignments used, quality = 0.72: HG3 MET 113 + QD2 LEU 132 OK 69 72 - 95 - 3.3/9330=36, 1.8/9325=27...(21) HB2 ASN 84 + QD2 LEU 132 OK 12 81 - 14 - 4.0/8857=5, ~8854=3...(4) HB3 TYR 70 - QD2 LEU 132 lone 9 94 - 10 - 1.8/9573=4, 9670/9686=4 HB2 ASN 96 - QD2 LEU 132 lone 8 89 - 9 - ~9581=2, 10121/8741=1, ~9581=1 HB3 ASP 13 - QD2 LEU 132 poor 8 68 - 11 - 8024/2.1=2, 9564/4.4=2...(5) HB3 MET 46 - QD2 LEU 132 lone 7 81 - 9 - 1.8/10301=3, ~11506=2 HB2 ASN 54 - QD2 LEU 132 lone 5 89 - 5 - HB3 PHE 43 - QD2 LEU 132 lone 4 85 - 5 - HB3 ASP 16 - QD2 LEU 132 lone 4 92 - 4 - HB3 GLU 120 - QD2 LEU 132 lone 3 85 - 4 - 4023/10368=2 Peak 9576 from aliabs.peaks (2.25, 0.41, 25.33 ppm; 3.74 A): 3 out of 6 assignments used, quality = 0.96: HG2 MET 113 + QD2 LEU 132 OK 90 100 - 91 - 3.3/9330=30, 9325=22...(21) HG3 PRO 129 + QD2 LEU 132 OK 38 81 - 47 - 3.8/9591=19...(8) HG3 GLU 90 + QD2 LEU 132 OK 33 98 - 34 - 3726/9330=7, 9807/8882=6...(12) HG3 GLN 62 - QD2 LEU 132 OK 31 92 - 34 - ~8347=4, 4.9/4502=4...(12) HG2 GLN 62 - QD2 LEU 132 OK 30 89 - 34 - ~8347=4, 4.9/4502=4...(11) HB3 PRO 12 - QD2 LEU 132 OK 19 72 - 26 - ~10423=3, 2.3/4505=3...(11) Peak 9577 from aliabs.peaks (1.99, 0.41, 25.33 ppm; 3.04 A): 6 out of 10 assignments used, quality = 0.82: QE MET 113 + QD2 LEU 132 OK 57 77 - 74 - 9330=28, 9329/2.1=16...(17) HB ILE 56 + QD2 LEU 132 OK 22 98 - 22 - 1456/2.1=5, ~1463=3...(9) HB3 ARG 124 + QD2 LEU 132 OK 19 100 - 19 - 3.9/7545=4, ~9592=3...(9) HB3 GLU 90 + QD2 LEU 132 OK 16 77 - 21 - 3.0/9576=4, 3.0/4503=3...(7) HB VAL 63 + QD2 LEU 132 OK 11 77 - 15 - 2.1/9596=4, ~9600=3...(4) HG3 PRO 52 + QD2 LEU 132 OK 11 92 - 12 - 1.8/4505=1, 2.3/4505=1 HB3 GLU 75 - QD2 LEU 132 poor 8 68 - 12 - 4.4/8649=2, 3.0/10293=1...(5) HB2 GLN 111 - QD2 LEU 132 lone 6 100 - 7 - 10341/9686=2, 11022/8738=1 HB2 GLU 142 - QD2 LEU 132 lone 6 89 - 6 - 4.0/10410=2 QE MET 11 - QD2 LEU 132 lone 3 100 - 3 - Peak 9578 from aliabs.peaks (2.26, 0.60, 23.67 ppm; 4.93 A): 5 out of 6 assignments used, quality = 1.00: HG2 MET 113 + QD1 LEU 132 OK 95 96 - 99 - 9325/2.1=31, ~9328=27...(27) HG3 PRO 129 + QD1 LEU 132 OK 69 96 - 71 - ~10273=23, ~10368=22...(12) HB3 MET 113 + QD1 LEU 132 OK 65 68 - 96 - 4.2/9329=23, ~9328=21...(22) HG3 GLN 62 + QD1 LEU 132 OK 53 100 - 53 - 2.9/8347=11, 2.9/8346=9...(18) HG2 GLN 62 + QD1 LEU 132 OK 52 99 - 53 - 2.9/8347=11, 2.9/8346=9...(18) HG3 GLU 90 - QD1 LEU 132 OK 41 100 - 41 - 9576/2.1=9, 9578=7...(12) Peak 9581 from aliabs.peaks (3.13, 0.60, 23.67 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.94: HA VAL 80 + QD1 LEU 132 OK 86 100 - 86 - 9945=24, 3.2/9600=19...(23) HA LEU 79 + QD1 LEU 132 OK 55 89 - 61 - 9581=16, 8714/2.1=15...(12) HB3 PHE 106 - QD1 LEU 132 poor 10 92 - 10 - 9581=2, 2.5/10415=2 HB3 ASN 96 - QD1 LEU 132 lone 6 68 - 9 - 9581=3, ~9575=2, ~9575=1 HD3 ARG 145 - QD1 LEU 132 lone 6 68 - 9 - 1.8/9581=3, 9581=2 HD2 ARG 145 - QD1 LEU 132 lone 5 62 - 9 - 1.8/9581=3, 9581=2 Peak 9582 from aliabs.peaks (3.72, 0.60, 23.67 ppm; 5.01 A): 4 out of 4 assignments used, quality = 0.69: HB THR 74 + QD1 LEU 132 OK 33 89 - 38 - ~11037=9, 4.0/10413=8...(9) HA LEU 108 + QD1 LEU 132 OK 27 81 - 33 - 4.0/10174=19, 10223=6 HA ILE 91 + QD1 LEU 132 OK 21 81 - 26 - 5.0/4511=4, 9654/9628=4...(13) HA THR 107 + QD1 LEU 132 OK 18 77 - 23 - 3.2/9247=13...(3) Peak 9583 from aliabs.peaks (3.84, 0.60, 23.67 ppm; 4.70 A): 3 out of 6 assignments used, quality = 0.98: HA GLN 133 + QD1 LEU 132 OK 91 100 - 91 - 9620=24, 9619/2.1=22...(26) HA LEU 66 + QD1 LEU 132 OK 62 96 - 64 - 1876=12, 3.0/1895=10...(20) HD2 PRO 118 + QD1 LEU 132 OK 55 81 - 67 - 4.6/10415=8, 1.8/4511=6...(31) HA ALA 104 - QD1 LEU 132 OK 37 100 - 37 - 9583=5, ~10979=5...(12) HB2 SER 100 - QD1 LEU 132 OK 36 77 - 47 - 4.1/4510=6, 9572/2.1=6...(12) HB2 SER 127 - QD1 LEU 132 OK 34 100 - 34 - 9520/9600=6, 9583=5...(9) Peak 9584 from aliabs.peaks (4.62, 1.94, 40.08 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.86: HA PRO 129 + HB3 LEU 132 OK 74 81 - 90 - 9591/3.2=42, ~10273=35...(10) HA ARG 124 + HB3 LEU 132 OK 48 92 - 53 - ~7545=14, 9585/1.8=12...(8) Peak 9585 from aliabs.peaks (4.61, 1.26, 40.08 ppm; 5.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9587 from aliabs.peaks (4.59, 4.08, 57.69 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.69: HA ASN 130 + HA LEU 132 OK 53 62 - 86 - 3.6/10418=31...(10) HA HIS 10 + HA LEU 132 OK 33 100 - 32 - 9585/2.9=8, 9584/2.9=8...(5) Peak 9591 from aliabs.peaks (4.60, 0.41, 25.33 ppm; 4.13 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9593 from aliabs.peaks (0.89, 1.26, 40.08 ppm; 4.72 A): 3 out of 5 assignments used, quality = 0.97: QG2 ILE 136 + HB2 LEU 132 OK 90 92 - 98 - 9683/3.2=19...(50) QD1 LEU 97 + HB2 LEU 132 OK 48 89 - 54 - 9594/1.8=7, 2.1/3219=4...(23) QG2 ILE 56 + HB2 LEU 132 OK 42 99 - 42 - 1463/3.2=9, ~1456=6...(15) QG2 ILE 101 - HB2 LEU 132 OK 24 96 - 25 - 9594/1.8=3, ~9594=2...(9) QD1 ILE 101 - HB2 LEU 132 OK 23 92 - 25 - 9594/1.8=3, ~9594=2...(9) Peak 9594 from aliabs.peaks (0.89, 1.94, 40.08 ppm; 4.65 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 136 + HB3 LEU 132 OK 98 100 - 98 - 9683/3.2=21...(52) QG2 VAL 80 + HB3 LEU 132 OK 55 68 - 82 - 8756/3.2=19, 9957/3.8=14...(16) QD1 LEU 97 + HB3 LEU 132 OK 53 100 - 54 - 9593/1.8=8, 3.2/4488=5...(22) QG2 ILE 56 - HB3 LEU 132 OK 42 100 - 42 - 1463/3.2=9, 9593/1.8=7...(14) QD1 ILE 101 - HB3 LEU 132 OK 27 100 - 27 - 9593/1.8=4, ~9593=2...(9) QG2 ILE 101 - HB3 LEU 132 OK 26 100 - 27 - 9593/1.8=4, ~9593=2...(9) Peak 9595 from aliabs.peaks (0.77, 0.41, 25.33 ppm; 3.20 A): 4 out of 5 assignments used, quality = 0.95: QD1 ILE 136 + QD2 LEU 132 OK 77 89 - 87 - 9686=36, 9685/2.1=14...(37) QG2 VAL 73 + QD2 LEU 132 OK 47 96 - 49 - 3.2/8583=16, 2.1/9598=12...(10) QD1 LEU 72 + QD2 LEU 132 OK 37 100 - 37 - ~9947=8, 10420/2.1=6...(11) QD2 LEU 108 + QD2 LEU 132 OK 29 92 - 31 - 10174/2.1=15...(6) QD1 LEU 108 - QD2 LEU 132 OK 22 100 - 22 - ~10174=9, 10302/2.1=2...(4) Peak 9596 from aliabs.peaks (0.90, 0.41, 25.33 ppm; 3.37 A): 2 out of 6 assignments used, quality = 0.97: QG2 VAL 80 + QD2 LEU 132 OK 88 100 - 88 - 8756=40, 8755/2.1=21...(24) QG2 ILE 136 + QD2 LEU 132 OK 77 89 - 87 - 3.0/9686=25, 9683/2.1=13...(41) QD1 LEU 97 - QD2 LEU 132 OK 30 92 - 33 - 9600/2.1=4, 3.2/4504=3...(16) QD1 ILE 101 - QD2 LEU 132 OK 20 89 - 23 - 9600/2.1=3, 4638/9686=2...(9) QG2 ILE 56 - QD2 LEU 132 OK 20 72 - 28 - 2.1/9577=5, 1463/2.1=4...(11) QG2 ILE 101 - QD2 LEU 132 OK 17 81 - 20 - 4638/9686=2, 9600/2.1=2...(7) Peak 9597 from aliabs.peaks (0.10, 0.60, 23.67 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9598 from aliabs.peaks (0.12, 0.41, 25.33 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.84: QG1 VAL 73 + QD2 LEU 132 OK 84 96 - 87 - 3.2/8583=36, 9597/2.1=30...(22) Peak 9599 from aliabs.peaks (1.54, 0.41, 25.33 ppm; 4.12 A): 3 out of 8 assignments used, quality = 0.98: QB ALA 135 + QD2 LEU 132 OK 80 94 - 84 - 10318=27, 9628/2.1=25...(20) HB3 LEU 79 + QD2 LEU 132 OK 78 99 - 79 - 3.1/8738=29, 3.0/9573=17...(22) HD2 LYS 76 + QD2 LEU 132 OK 58 100 - 58 - 3.5/8655=25...(14) HG3 LYS 76 - QD2 LEU 132 OK 44 77 - 57 - 3.0/8655=29, 10092=13...(13) HG2 LYS 93 - QD2 LEU 132 OK 26 98 - 26 - 10092=4, 9689/9686=3...(12) HB2 LEU 29 - QD2 LEU 132 OK 14 81 - 18 - 3.2/9596=3, 4477/3.8=3...(6) HG3 ARG 55 - QD2 LEU 132 lone 6 77 - 8 - 2392/8738=2 HG2 ARG 55 - QD2 LEU 132 lone 5 68 - 7 - 2392/8738=1 Peak 9600 from aliabs.peaks (0.90, 0.60, 23.67 ppm; 3.00 A): 2 out of 6 assignments used, quality = 0.94: QG2 VAL 80 + QD1 LEU 132 OK 78 100 - 79 - 8755=24, 8756/2.1=22...(18) QG2 ILE 136 + QD1 LEU 132 OK 70 89 - 79 - 9683=12, 3.0/9685=10...(33) QD1 LEU 97 - QD1 LEU 132 OK 25 92 - 27 - 9596/2.1=3, 3.2/4512=2...(8) QG2 ILE 56 - QD1 LEU 132 OK 18 72 - 25 - 1463=4, 2.1/1456=3...(8) QD1 ILE 101 - QD1 LEU 132 OK 15 89 - 17 - 9596/2.1=2, 9593/3.2=1 QG2 ILE 101 - QD1 LEU 132 OK 14 81 - 17 - 9596/2.1=2, 4638/9685=1 Peak 9602 from aliabs.peaks (4.19, 2.42, 33.16 ppm; 3.97 A): 0 out of 16 assignments used, low quality = 0.25: HA PHE 43 - HG3 GLN 47 OK 13 87 - 15 - 6394/4.9=8, 4.8/8178=4 HA PHE 43 - HG2 GLN 47 OK 13 87 - 15 - 6394/4.9=8, 4.8/8178=4 HA PHE 67 - HG2 GLN 133 lone 8 85 - 9 - 1926/3.5=2, 3.6/6674=2...(4) HA PHE 67 - HG3 GLN 133 lone 8 85 - 9 - 1926/3.5=2, 3.6/6674=2...(4) HA PHE 67 - HG2 GLN 47 lone 7 73 - 9 - 1930/3.5=2, 6394/4.9=2 HA PHE 67 - HG3 GLN 47 lone 7 73 - 9 - 1930/3.5=2, 6394/4.9=2 HA PHE 43 - HG3 GLN 133 lone 6 98 - 6 - ~4815=1 HA PHE 43 - HG2 GLN 133 lone 6 98 - 6 - ~4815=1 HA TRP 88 - HG3 GLN 133 lone 5 96 - 5 - HA TRP 88 - HG2 GLN 133 lone 5 96 - 5 - HA LEU 64 - HG3 GLN 133 lone 4 68 - 5 - 3.0/10427=1 HA LEU 64 - HG2 GLN 133 lone 4 67 - 5 - 3.0/10427=1 HA TRP 88 - HG3 GLN 47 lone 2 85 - 2 - HA TRP 88 - HG2 GLN 47 lone 2 85 - 2 - HA LEU 64 - HG2 GLN 47 lone 2 56 - 3 - HA LEU 64 - HG3 GLN 47 lone 2 56 - 3 - Peak 9613 from aliabs.peaks (1.66, 3.84, 58.15 ppm; 4.28 A): 7 out of 14 assignments used, quality = 0.91: HG13 ILE 136 + HA GLN 133 OK 65 96 - 68 - 2.1/9618=22, 1.8/9616=19...(10) HB VAL 71 + HA GLN 133 OK 37 98 - 38 - 2.1/9620=9, 2.1/8506=9...(9) HB2 MET 68 + HA GLN 133 OK 26 81 - 32 - 3.6/6663=5, 4.4/6680=3...(12) HB2 PRO 57 + HA GLN 133 OK 20 100 - 20 - 3.9/4518=3, 1520/2.8=3...(7) HG2 ARG 140 + HA GLN 133 OK 14 96 - 14 - 7764/9601=2...(4) HG2 ARG 124 + HA GLN 133 OK 12 96 - 12 - 4.9/4527=5, 4222/4527=1 HD3 LYS 93 + HA GLN 133 OK 10 99 - 10 - 4634/9601=1, 3079/4.9=1 HB3 LEU 26 - HA GLN 133 poor 10 68 - 15 - 3.2/9615=6, 3.1/10563=4, ~7678=2 HG2 ARG 89 - HA GLN 133 lone 9 98 - 10 - 2.8/4528=1, 7764/9601=1 HB2 LEU 95 - HA GLN 133 lone 7 98 - 7 - ~9621=2 HB2 LYS 114 - HA GLN 133 lone 7 85 - 8 - 3.6/9614=2, 10843/9616=1 HD2 LYS 48 - HA GLN 133 lone 5 98 - 5 - HB2 ARG 145 - HA GLN 133 lone 4 92 - 4 - HD3 LYS 48 - HA GLN 133 lone 3 77 - 4 - Peak 9614 from aliabs.peaks (1.49, 3.84, 58.15 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 134 + HA GLN 133 OK 93 98 - 95 - 9660/2.8=39, 4575/3.6=34...(20) HB3 LEU 29 + HA GLN 133 OK 69 98 - 71 - 3.1/9616=18, 9623/2.8=12...(20) HG13 ILE 101 - HA GLN 133 OK 45 99 - 45 - 9623/2.8=8, 2.1/9617=8...(12) HB2 LYS 76 - HA GLN 133 OK 20 72 - 27 - 3.0/9615=8, 8655/9619=3...(11) HD3 LYS 114 - HA GLN 133 OK 15 100 - 15 - 9623/2.8=2, 9694/9601=2...(6) Peak 9615 from aliabs.peaks (1.16, 3.84, 58.15 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.69: HG2 LYS 76 + HA GLN 133 OK 48 100 - 49 - 9890/4.9=10, 11554/3.0=7...(14) QG2 THR 92 + HA GLN 133 OK 26 98 - 26 - 10098=3, 10088/3405=2...(9) HG LEU 64 + HA GLN 133 OK 19 72 - 26 - ~8373=7, ~8373=6...(6) Peak 9616 from aliabs.peaks (0.98, 3.84, 58.15 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.82: QD1 LEU 29 + HA GLN 133 OK 67 100 - 67 - 3.1/9614=11, 8061=11...(20) HB2 LEU 39 + HA GLN 133 OK 37 100 - 37 - 1.8/10311=8, 3.0/8134=7...(9) QG2 THR 51 + HA GLN 133 OK 15 81 - 18 - 8213=4, 8229/4.0=2...(6) Peak 9617 from aliabs.peaks (0.90, 3.84, 58.15 ppm; 3.79 A): 4 out of 6 assignments used, quality = 0.96: QG2 ILE 136 + HA GLN 133 OK 82 99 - 83 - 4.3/9601=18, 3.0/9618=15...(21) QG2 VAL 80 + HA GLN 133 OK 46 92 - 50 - 9957/2.8=17, 8747=8...(10) QD1 ILE 101 + HA GLN 133 OK 42 99 - 42 - 10543/3.6=9, 2.1/9614=6...(12) QG2 ILE 101 + HA GLN 133 OK 37 96 - 38 - 9169=7, 3.2/9614=5...(11) QG2 ILE 56 - HA GLN 133 OK 19 92 - 21 - 3.1/9620=4, 9169=3...(5) QD1 LEU 97 - HA GLN 133 OK 15 100 - 15 - 9611/3.6=1, ~7679=1, 4638/9618=1 Peak 9618 from aliabs.peaks (0.77, 3.84, 58.15 ppm; 3.40 A): 5 out of 5 assignments used, quality = 0.82: QD1 ILE 136 + HA GLN 133 OK 62 92 - 67 - 9666=14, 2.1/9616=11...(18) QD1 LEU 72 + HA GLN 133 OK 24 100 - 24 - 9911/4.0=4, 9911/4.0=4...(4) QG2 VAL 73 + HA GLN 133 OK 19 98 - 20 - 8554/5.3=3, 4.4/4527=2 QD1 LEU 108 + HA GLN 133 OK 14 100 - 14 - 3.2/9615=3, 4.4/7263=2 QD2 LEU 108 + HA GLN 133 OK 12 89 - 13 - 3.2/9615=3, 10174/9620=2 Peak 9619 from aliabs.peaks (0.39, 3.84, 58.15 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.47: HG3 LYS 123 + HA GLN 133 OK 47 100 - 48 - 7682/2.8=15, 4473/4.9=11...(11) Peak 9620 from aliabs.peaks (0.59, 3.84, 58.15 ppm; 4.80 A): 3 out of 3 assignments used, quality = 0.95: QD1 LEU 132 + HA GLN 133 OK 79 89 - 88 - 2.1/9619=23, ~7682=18...(24) QG1 VAL 71 + HA GLN 133 OK 56 100 - 56 - 2.1/8506=9, 7683/2.8=7...(19) QD1 LEU 66 + HA GLN 133 OK 49 89 - 55 - 1907=9, 2.1/1915=9...(22) Peak 9624 from aliabs.peaks (0.84, 1.48, 17.85 ppm; 4.00 A): 0 out of 3 assignments used, low quality = 0.00: QD2 LEU 97 - QB ALA 134 poor 9 81 - 11 - 9651/2.1=6, ~9611=1 QD1 LEU 95 - QB ALA 134 lone 8 85 - 10 - 3.1/9637=3, 9553/9661=1...(4) HG LEU 42 - QB ALA 134 lone 5 68 - 7 - ~9651=3 Peak 9626 from aliabs.peaks (1.28, 1.54, 18.21 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.50: HB2 LEU 132 + QB ALA 135 OK 43 68 - 63 - 3.2/9628=17...(11) QG2 THR 99 + QB ALA 135 OK 14 81 - 17 - 2.1/4588=3, 10164/4.0=2 HB3 LEU 97 - QB ALA 135 poor 9 62 - 14 - 3.2/10444=4, ~10948=1 QG2 THR 102 - QB ALA 135 lone 7 85 - 8 - 9626=4 Peak 9627 from aliabs.peaks (0.81, 1.54, 18.21 ppm; 2.65 A): 5 out of 5 assignments used, quality = 0.76: QG1 VAL 80 + QB ALA 135 OK 44 100 - 44 - 9627=21, 2.1/8753=8...(9) QD1 LEU 79 + QB ALA 135 OK 28 92 - 31 - 9627=10, ~9631=6...(8) QD2 LEU 126 + QB ALA 135 OK 19 100 - 19 - 9627=9, ~10680=2...(5) QD2 LEU 95 + QB ALA 135 OK 15 85 - 18 - 2.1/9643=4, 9075/9654=3...(4) QG2 THR 74 + QB ALA 135 OK 13 94 - 13 - 9627=5, 9630/2.9=2...(4) Peak 9628 from aliabs.peaks (0.60, 1.54, 18.21 ppm; 3.06 A): 3 out of 3 assignments used, quality = 0.83: QD1 LEU 132 + QB ALA 135 OK 69 100 - 69 - 9628=25, 2.1/10318=13...(16) QD1 LEU 66 + QB ALA 135 OK 31 100 - 31 - 2.1/10317=9, 2.1/9643=5...(8) QG1 VAL 71 + QB ALA 135 OK 19 94 - 20 - 9628=7, 10342/10964=1...(4) Peak 9632 from aliabs.peaks (0.62, 4.28, 54.31 ppm; 5.48 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9637 from aliabs.peaks (1.66, 1.48, 17.85 ppm; 3.38 A): 6 out of 13 assignments used, quality = 0.61: HD3 LYS 93 + QB ALA 134 OK 20 100 - 19 - 3.0/10324=3, 3.0/10324=2...(4) HD2 LYS 48 + QB ALA 134 OK 16 100 - 16 - 3.0/10324=3, 3.0/10324=3...(4) HG13 ILE 136 + QB ALA 134 OK 14 99 - 14 - 2.9/9637=2, ~9612=2...(6) HB2 LYS 114 + QB ALA 134 OK 14 77 - 18 - 1.8/3761=3, 3749=3...(8) HD3 LYS 48 + QB ALA 134 OK 13 85 - 15 - 3.0/10324=3, 3.0/10324=3...(4) HB2 LEU 95 + QB ALA 134 OK 10 100 - 10 - 3.1/9624=8 HB2 MET 68 - QB ALA 134 poor 9 89 - 11 - 2.9/9640=2, 3.0/11633=1 HB2 PRO 57 - QB ALA 134 lone 6 98 - 6 - 1517/4.0=1 HG2 ARG 124 - QB ALA 134 lone 4 92 - 5 - 3.0/10679=2, 3.0/10678=1 HG2 ARG 140 - QB ALA 134 lone 4 92 - 4 - HB VAL 71 - QB ALA 134 lone 3 100 - 3 - HG2 ARG 89 - QB ALA 134 lone 3 100 - 3 - HB2 ARG 145 - QB ALA 134 lone 1 96 - 1 - Peak 9638 from aliabs.peaks (2.13, 1.48, 17.85 ppm; 3.71 A): 3 out of 7 assignments used, quality = 0.90: HB2 GLN 133 + QB ALA 134 OK 63 81 - 78 - 4.0/9660=21, 4.5/4575=19...(22) HB3 GLN 133 + QB ALA 134 OK 60 77 - 78 - 4.0/9660=21, 4.5/4575=19...(22) HG3 PRO 118 + QB ALA 134 OK 35 72 - 48 - 9649/2.1=15, 2.3/11045=7...(15) HB2 GLU 75 - QB ALA 134 lone 6 100 - 6 - 9649/2.1=2 HG2 GLN 111 - QB ALA 134 lone 4 99 - 4 - 9649/2.1=1 HB VAL 53 - QB ALA 134 lone 3 100 - 3 - ~7713=1 HB VAL 73 - QB ALA 134 lone 3 81 - 4 - 9649/2.1=1 Peak 9639 from aliabs.peaks (2.27, 1.48, 17.85 ppm; 3.99 A): 2 out of 10 assignments used, quality = 0.62: HG2 GLU 131 + QB ALA 134 OK 54 100 - 54 - 4.2/4574=21...(5) HG3 GLU 142 + QB ALA 134 OK 16 100 - 16 - 5.0/9661=4, 4435/4574=3...(6) HG3 PRO 129 - QB ALA 134 lone 8 81 - 10 - 4435/4574=3, 2.3/10322=2 HB3 MET 113 - QB ALA 134 lone 8 100 - 8 - 3.0/9641=1 HG2 GLU 90 - QB ALA 134 lone 5 100 - 5 - 10073/9641=1, 10073/9641=1 HG3 GLU 75 - QB ALA 134 lone 3 62 - 5 - ~9649=1, 3.0/9638=1 HG2 GLU 120 - QB ALA 134 lone 2 89 - 2 - HG2 GLN 62 - QB ALA 134 lone 2 72 - 2 - HG3 GLN 62 - QB ALA 134 lone 1 68 - 2 - HG3 GLU 120 - QB ALA 134 lone 1 62 - 1 - Peak 9640 from aliabs.peaks (2.43, 1.48, 17.85 ppm; 3.60 A): 6 out of 8 assignments used, quality = 0.82: HG2 GLN 133 + QB ALA 134 OK 46 68 - 68 - 4.5/9660=17, 2.9/9638=10...(20) HG3 GLN 133 + QB ALA 134 OK 42 62 - 68 - 4.5/9660=17, 2.9/9638=10...(20) HG3 GLN 47 + QB ALA 134 OK 14 85 - 17 - 7718/2.9=2, ~4557=2...(8) HG2 GLN 47 + QB ALA 134 OK 14 85 - 17 - 7718/2.9=2, ~4557=2...(8) HB3 PRO 33 + QB ALA 134 OK 13 100 - 13 - 2.3/9792=5, 2.3/10322=3 HG2 MET 68 + QB ALA 134 OK 11 99 - 11 - 2.9/9637=2, 3.3/9637=2 QE MET 46 - QB ALA 134 lone 5 72 - 7 - HG2 MET 11 - QB ALA 134 lone 3 98 - 3 - Peak 9641 from aliabs.peaks (2.76, 1.48, 17.85 ppm; 3.56 A): 5 out of 9 assignments used, quality = 0.91: HB3 ASP 137 + QB ALA 134 OK 67 100 - 67 - 1.8/10323=21...(8) HE3 LYS 76 + QB ALA 134 OK 35 100 - 35 - 4573/2.1=5, ~4573=3...(14) HE2 LYS 76 + QB ALA 134 OK 34 98 - 34 - 4573/2.1=5, ~4573=3...(14) HE2 LYS 114 + QB ALA 134 OK 24 100 - 24 - 1.8/3827=3, 4573/2.1=3...(11) HB3 PHE 43 + QB ALA 134 OK 15 57 - 26 - 1.8/11632=9, ~4572=5...(7) HG3 MET 113 - QB ALA 134 lone 4 72 - 6 - 3.0/9639=2 HB3 ASP 40 - QB ALA 134 lone 3 92 - 4 - HB2 ASP 41 - QB ALA 134 lone 2 81 - 3 - HB2 PHE 38 - QB ALA 134 lone 1 98 - 1 - Peak 9643 from aliabs.peaks (1.76, 1.54, 18.21 ppm; 3.39 A): 5 out of 7 assignments used, quality = 0.85: HB ILE 83 + QB ALA 135 OK 54 98 - 55 - 3.2/10317=12...(12) HG LEU 39 + QB ALA 135 OK 29 94 - 31 - 9643=9, 2.1/10978=7...(6) HG LEU 95 + QB ALA 135 OK 28 94 - 30 - 9643=9, 2.1/9627=5...(11) HG LEU 66 + QB ALA 135 OK 28 98 - 28 - 2.1/10317=11...(4) HB2 PRO 12 + QB ALA 135 OK 13 94 - 13 - 9643=4, 2.3/9644=2, 2.3/9644=1 HB3 MET 59 - QB ALA 135 lone 7 77 - 9 - 1.8/9644=2, 9643=2 HB3 ARG 35 - QB ALA 135 lone 6 100 - 6 - 9643=2 Peak 9644 from aliabs.peaks (1.92, 1.54, 18.21 ppm; 3.61 A): 7 out of 9 assignments used, quality = 0.83: HG13 ILE 83 + QB ALA 135 OK 40 77 - 52 - 2.1/10317=18...(12) HB2 PRO 118 + QB ALA 135 OK 27 72 - 38 - 2.3/9655=6, ~11551=5...(11) HB ILE 101 + QB ALA 135 OK 24 72 - 33 - 2.1/10319=9, 3.2/10319=6...(8) QE MET 68 + QB ALA 135 OK 19 100 - 19 - 7747/3.7=2, 8420/2.1=2...(6) HB2 LYS 86 + QB ALA 135 OK 15 98 - 15 - 9644=2, 4.0/6974=2...(5) HG3 PRO 12 + QB ALA 135 OK 14 96 - 15 - 2.3/9643=3, 9644=2, 1.8/9644=1 HB2 MET 59 + QB ALA 135 OK 11 98 - 12 - 1.8/9643=2, 9644=2 HB2 ARG 140 - QB ALA 135 poor 10 85 - 12 - 9644=1 HB3 LEU 69 - QB ALA 135 poor 10 77 - 13 - 9644=1 Peak 9645 from aliabs.peaks (2.80, 1.54, 18.21 ppm; 4.55 A): 2 out of 5 assignments used, quality = 0.70: HB3 ASN 84 + QB ALA 135 OK 54 72 - 74 - 3.5/9659=36...(8) HB3 ASN 139 + QB ALA 135 OK 35 100 - 35 - 3.5/9732=11, ~10354=5...(9) HB3 ASP 41 - QB ALA 135 lone 9 94 - 9 - 1.8/9645=2...(4) HB2 ASN 128 - QB ALA 135 lone 7 100 - 7 - 9518/10320=3 HE3 LYS 114 - QB ALA 135 lone 7 68 - 10 - 1.8/9645=3, 3827/4.0=2 Peak 9646 from aliabs.peaks (3.14, 1.54, 18.21 ppm; 3.58 A): 3 out of 3 assignments used, quality = 0.73: HA VAL 80 + QB ALA 135 OK 53 92 - 58 - 9646=22, 3.2/9627=15...(13) HA LEU 79 + QB ALA 135 OK 33 100 - 33 - 4.8/9646=9, 4.0/9627=6...(13) HB2 TYR 70 + QB ALA 135 OK 14 92 - 15 - 9646=6, ~4696=3...(4) Peak 9648 from aliabs.peaks (2.42, 4.21, 54.28 ppm; 4.64 A): 3 out of 9 assignments used, quality = 0.99: HG3 GLN 133 + HA ALA 134 OK 87 100 - 87 - 4.5/10447=25...(22) HG2 GLN 133 + HA ALA 134 OK 86 100 - 87 - 4.5/10447=25...(23) HB3 PRO 118 + HA ALA 134 OK 67 99 - 68 - 2.3/9649=24, 7719/2.8=9...(15) HG3 GLN 47 - HA ALA 134 OK 30 96 - 31 - 4557/2.8=4, ~9640=3...(13) HG2 GLN 47 - HA ALA 134 OK 30 96 - 31 - 4557/2.8=4, ~9640=3...(13) HG2 MET 68 - HA ALA 134 OK 12 77 - 15 - ~9637=2, 3.7/11634=2...(7) QE MET 46 - HA ALA 134 OK 10 100 - 10 - 3.3/11507=1, 3.3/10980=1 HB3 PRO 33 - HA ALA 134 poor 9 62 - 15 - ~9792=6, ~10322=4, 9640/2.1=2 HB ILE 91 - HA ALA 134 lone 4 72 - 5 - 3.0/8965=3 Peak 9649 from aliabs.peaks (2.15, 4.21, 54.28 ppm; 4.91 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLN 133 + HA ALA 134 OK 91 96 - 95 - 4.0/10447=31...(27) HB2 GLN 133 + HA ALA 134 OK 89 94 - 95 - 4.0/10447=31...(27) HG3 PRO 118 + HA ALA 134 OK 73 98 - 75 - 9649=22, 11551/3.6=12...(16) HG LEU 29 + HA ALA 134 OK 57 94 - 60 - 10833/2.8=12, ~10834=11...(14) HG2 GLU 81 - HA ALA 134 OK 13 100 - 12 - 9649=4, ~9639=2...(4) Peak 9650 from aliabs.peaks (1.18, 4.21, 54.28 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.63: HG2 LYS 76 + HA ALA 134 OK 34 72 - 47 - ~10321=11, 3.9/4573=8...(11) QD1 LEU 69 + HA ALA 134 OK 28 100 - 28 - 8465/4.9=5, 9933=5...(7) HB2 LEU 72 + HA ALA 134 OK 12 100 - 12 - ~9612=3, 3.0/11634=2 HG12 ILE 56 + HA ALA 134 OK 12 92 - 13 - 9615/4.9=7, ~9611=1, ~3341=1 HB3 LEU 108 - HA ALA 134 lone 7 72 - 9 - 9615/4.9=6 QG2 THR 18 - HA ALA 134 lone 5 98 - 6 - Peak 9651 from aliabs.peaks (0.85, 4.21, 54.28 ppm; 4.23 A): 0 out of 4 assignments used, low quality = 0.20: QD2 LEU 97 - HA ALA 134 OK 20 98 - 21 - 9122=8, 9624/2.1=5...(4) QG2 ILE 83 - HA ALA 134 lone 7 89 - 8 - 10014/4.9=5, ~9637=1 HB3 LEU 42 - HA ALA 134 lone 5 72 - 7 - ~9624=4, 4.5/6331=1 QD1 LEU 64 - HA ALA 134 lone 2 77 - 3 - ~10623=2 Peak 9653 from aliabs.peaks (3.83, 1.54, 18.21 ppm; 4.25 A): 5 out of 6 assignments used, quality = 0.95: HA GLN 133 + QB ALA 135 OK 77 92 - 83 - 3.6/9657=21...(21) HA LEU 66 + QB ALA 135 OK 41 99 - 41 - 4.0/10317=9, 4.0/9628=9...(12) HA ALA 104 + QB ALA 135 OK 30 77 - 39 - 2.1/9626=19, 9653=3...(10) HB2 SER 127 + QB ALA 135 OK 27 85 - 32 - 9501/10320=3...(12) HB2 SER 100 + QB ALA 135 OK 26 100 - 25 - 9653=3, 7740/3.7=3...(11) HA3 GLY 50 - QB ALA 135 lone 6 77 - 8 - 1.8/4588=1 Peak 9654 from aliabs.peaks (3.69, 1.54, 18.21 ppm; 3.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9655 from aliabs.peaks (2.14, 1.54, 18.21 ppm; 4.00 A): 5 out of 7 assignments used, quality = 0.92: HB2 GLN 133 + QB ALA 135 OK 53 100 - 53 - 4.5/9657=15...(10) HB3 GLN 133 + QB ALA 135 OK 53 100 - 53 - 4.5/9657=15...(10) HG3 PRO 118 + QB ALA 135 OK 42 100 - 42 - 11551/2.9=8, 9638/4.0=7...(12) HG LEU 29 + QB ALA 135 OK 27 72 - 38 - ~10835=5, 2.1/381=4...(14) HG2 GLU 81 + QB ALA 135 OK 11 89 - 13 - 8779=3, 1.8/8786=1, 8782/10442=1 HB2 GLU 75 - QB ALA 135 poor 8 68 - 12 - 3.9/8626=3, 3.0/9927=2...(4) HB VAL 53 - QB ALA 135 lone 4 68 - 6 - 3.0/4586=3 Peak 9666 from aliabs.peaks (3.84, 0.78, 13.00 ppm; 3.10 A): 6 out of 6 assignments used, quality = 0.94: HA GLN 133 + QD1 ILE 136 OK 65 100 - 65 - 9618=20, 9616/2.1=9...(17) HA LEU 66 + QD1 ILE 136 OK 39 100 - 39 - 3.7/10759=5, 8390/2.1=4...(15) HA ALA 104 + QD1 ILE 136 OK 34 96 - 35 - 9666=6, 2.1/9196=4...(10) HB2 SER 127 + QD1 ILE 136 OK 26 99 - 26 - 9666=4, 9520/3.0=4...(7) HD2 PRO 118 + QD1 ILE 136 OK 25 62 - 41 - 1.8/9667=8, 3.0/9671=3...(16) HB2 SER 100 + QD1 ILE 136 OK 18 92 - 19 - 9666=3, 4.1/9663=2...(7) Peak 9667 from aliabs.peaks (4.09, 0.78, 13.00 ppm; 3.97 A): 4 out of 6 assignments used, quality = 0.87: HD3 PRO 118 + QD1 ILE 136 OK 61 100 - 61 - 9667=9, 1.8/9666=6...(32) HA LEU 132 + QD1 ILE 136 OK 55 68 - 82 - 3.8/9686=27, 4.0/9685=15...(25) HA GLU 90 + QD1 ILE 136 OK 17 68 - 25 - 5.0/4636=5, 8958/3.0=4...(11) HA PRO 52 + QD1 ILE 136 OK 10 77 - 13 - 3.8/10341=3, 2.3/4637=2 HD3 PRO 33 - QD1 ILE 136 lone 9 100 - 9 - 1.8/9667=3, 439/9667=1 HA VAL 53 - QD1 ILE 136 poor 9 81 - 11 - 4503/9686=2 Peak 9668 from aliabs.peaks (3.33, 0.78, 13.00 ppm; 3.91 A): 3 out of 3 assignments used, quality = 0.76: HD3 ARG 109 + QD1 ILE 136 OK 46 100 - 46 - 9275=13, 10333/3.0=10...(10) HD2 ARG 124 + QD1 ILE 136 OK 39 85 - 46 - 9668=8, 10333/3.0=7...(17) HB2 TRP 88 + QD1 ILE 136 OK 26 81 - 32 - 1.8/9669=8, 9668=5...(10) Peak 9669 from aliabs.peaks (3.09, 0.78, 13.00 ppm; 3.59 A): 3 out of 5 assignments used, quality = 0.57: HD3 ARG 49 + QD1 ILE 136 OK 29 92 - 32 - 9669=12, 10749/4.2=3...(9) HA2 GLY 78 + QD1 ILE 136 OK 28 94 - 29 - 9669=12, 10749/4.2=4...(7) HB3 TRP 88 + QD1 ILE 136 OK 17 72 - 24 - 1.8/9668=8, 10751/2.1=3...(8) HB3 HIS 10 - QD1 ILE 136 lone 10 100 - 10 - 10749/4.2=2, 10747/2.1=2...(5) HB3 ASP 30 - QD1 ILE 136 lone 1 62 - 1 - Peak 9670 from aliabs.peaks (2.73, 0.78, 13.00 ppm; 4.45 A): 5 out of 10 assignments used, quality = 0.80: HB3 TYR 70 + QD1 ILE 136 OK 46 92 - 50 - 8485/2.1=9, 3.0/8480=9...(11) HG3 MET 113 + QD1 ILE 136 OK 44 77 - 57 - 3.3/9331=17...(13) HB3 MET 46 + QD1 ILE 136 OK 16 77 - 21 - ~10710=4, ~11005=3...(9) HB2 ASN 96 + QD1 ILE 136 OK 11 92 - 12 - 3.5/9664=2, ~10335=1...(5) HB2 ASN 54 + QD1 ILE 136 OK 11 92 - 11 - ~10437=4, 9670=1, 10447/2.5=1 HB3 PHE 43 - QD1 ILE 136 poor 9 89 - 11 - 7768/4642=2, 9652/4.8=2...(5) HB2 ASN 84 - QD1 ILE 136 lone 7 77 - 10 - 1.8/10752=3, ~10336=1 HB3 GLU 120 - QD1 ILE 136 lone 5 81 - 6 - HB3 ASP 13 - QD1 ILE 136 lone 4 62 - 6 - HB3 ASP 16 - QD1 ILE 136 lone 3 94 - 3 - Peak 9671 from aliabs.peaks (2.42, 0.78, 13.00 ppm; 4.04 A): 4 out of 8 assignments used, quality = 0.98: HG2 GLN 133 + QD1 ILE 136 OK 65 100 - 65 - 3.5/10453=22...(15) HG3 GLN 133 + QD1 ILE 136 OK 64 100 - 64 - 3.5/10453=22...(14) HG2 MET 68 + QD1 ILE 136 OK 62 92 - 67 - 1.8/8427=13, 3.3/8424=11...(28) HB3 PRO 118 + QD1 ILE 136 OK 59 92 - 64 - 3.0/9667=12, 9671=6...(30) QE MET 46 - QD1 ILE 136 OK 23 100 - 23 - 9671=2, 4.2/9670=2...(4) HG2 GLN 47 - QD1 ILE 136 OK 18 100 - 17 - 9671=2, 1.8/9671=2...(5) HG3 GLN 47 - QD1 ILE 136 OK 18 100 - 17 - 9671=2, 1.8/9671=2...(5) HB3 PRO 33 - QD1 ILE 136 OK 11 81 - 13 - 3.0/9667=3, 3.0/9667=2...(4) Peak 9672 from aliabs.peaks (2.17, 0.78, 13.00 ppm; 3.85 A): 0 out of 4 assignments used, low quality = 0.23: HB3 LYS 86 - QD1 ILE 136 OK 15 68 - 21 - 9672=5, 1.8/4637=2...(4) HG LEU 29 - QD1 ILE 136 OK 10 62 - 17 - 9672=3, ~10842=2...(6) HB2 GLN 25 - QD1 ILE 136 lone 9 98 - 9 - 2.9/9667=2, 9672=2, 8254/9685=2 HG2 PRO 129 - QD1 ILE 136 lone 6 99 - 7 - 9672=2, 10424/9686=1 Peak 9673 from aliabs.peaks (2.40, 1.67, 28.66 ppm; 4.77 A): 5 out of 24 assignments used, quality = 0.96: HB ILE 91 + HG13 ILE 136 OK 67 98 - 69 - ~4636=7, 3.0/4628=7...(25) HB3 PRO 118 + HG13 ILE 136 OK 50 68 - 74 - ~9667=12, ~9667=10...(29) HB ILE 91 + HD3 LYS 93 OK 40 80 - 50 - ~11577=5, ~2966=5...(18) HG3 MET 59 + HG13 ILE 136 OK 39 100 - 39 - ~10661=4, ~10466=3...(18) HG2 MET 59 + HG13 ILE 136 OK 39 100 - 39 - ~10661=4, ~10466=3...(19) HB ILE 91 - HD2 LYS 48 OK 27 81 - 33 - 9823/3.0=7, 9801/3.0=7...(11) HG3 MET 59 - HD2 LYS 48 OK 27 86 - 31 - 9823/3.0=8, 9801/3.0=7...(8) HG2 MET 46 - HG13 ILE 136 OK 27 100 - 27 - ~10710=4, ~9676=4...(13) HG2 MET 59 - HD2 LYS 48 OK 27 84 - 32 - 9823/3.0=8, ~9823=6...(8) HG3 MET 59 - HD3 LYS 48 OK 22 69 - 31 - 9823/3.0=8, 9801/3.0=7...(8) HG2 MET 59 - HD3 LYS 48 OK 21 68 - 32 - 9823/3.0=8, ~9823=6...(8) HB ILE 91 - HD3 LYS 48 OK 21 65 - 32 - 9823/3.0=7, 9801/3.0=7...(11) HG3 GLN 25 - HG13 ILE 136 OK 12 100 - 12 - ~9672=6, ~9672=3 HG2 MET 46 - HD2 LYS 48 OK 12 86 - 14 - 9823/3.0=3, 9801/3.0=3...(6) HG2 MET 46 - HD3 LYS 93 poor 10 84 - 12 - ~10491=2, 3.3/10490=2...(4) HG2 MET 46 - HD3 LYS 48 poor 9 69 - 13 - 9823/3.0=3, 9801/3.0=3...(6) HG3 GLN 25 - HD2 LYS 48 lone 7 86 - 8 - 9823/3.0=2, ~9801=2, 9801/3.0=1 HG3 GLN 25 - HD3 LYS 48 lone 6 69 - 8 - 9823/3.0=2, ~9801=2, 9801/3.0=1 HG3 MET 59 - HD3 LYS 93 lone 5 85 - 6 - HG2 MET 59 - HD3 LYS 93 lone 5 83 - 6 - HG3 GLN 25 - HD3 LYS 93 lone 4 85 - 4 - HB3 PRO 118 - HD3 LYS 93 lone 3 50 - 6 - HB3 PRO 118 - HD2 LYS 48 lone 1 52 - 3 - HB3 PRO 118 - HD3 LYS 48 lone 1 39 - 3 - Peak 9676 from aliabs.peaks (2.71, 0.89, 16.73 ppm; 4.39 A): 2 out of 5 assignments used, quality = 0.59: HB2 ASP 137 + QG2 ILE 136 OK 52 68 - 78 - 3.8/4618=26, 3.0/9679=23...(19) HB3 MET 46 + QG2 ILE 136 OK 13 62 - 21 - 1.8/10710=5, 9374/4615=3...(7) HB3 CYS 121 - QG2 ILE 136 lone 7 100 - 7 - 9897/9892=2, 8404/9901=1 HB2 ASN 84 - QG2 ILE 136 poor 7 62 - 11 - 10538/10319=3...(4) HB3 ASP 13 - QG2 ILE 136 lone 5 77 - 6 - Peak 9677 from aliabs.peaks (2.14, 0.89, 16.73 ppm; 4.39 A): 3 out of 7 assignments used, quality = 0.99: HB2 GLN 133 + QG2 ILE 136 OK 81 100 - 81 - 4.5/9607=18, 4.5/9665=15...(26) HB3 GLN 133 + QG2 ILE 136 OK 80 99 - 81 - 4.5/9607=18, 4.5/9665=15...(26) HG3 PRO 118 + QG2 ILE 136 OK 72 98 - 74 - ~9667=10, 3.8/10329=8...(34) HG2 GLN 111 - QG2 ILE 136 OK 32 77 - 42 - 3.0/11044=9, 11485/2.3=7...(12) HB2 GLU 75 - QG2 ILE 136 OK 25 85 - 30 - 3.0/10331=5, ~10341=3...(12) HB VAL 53 - QG2 ILE 136 lone 4 85 - 5 - HG2 GLU 81 - QG2 ILE 136 lone 3 72 - 5 - 4.9/6875=1 Peak 9679 from aliabs.peaks (4.46, 0.89, 16.73 ppm; 3.44 A): 4 out of 5 assignments used, quality = 0.82: HA ASP 137 + QG2 ILE 136 OK 69 85 - 81 - 2.9/4618=22, 3.0/9676=12...(30) HA ASP 41 + QG2 ILE 136 OK 23 94 - 24 - 3.0/10462=4, 10326/3.0=3...(10) HA SER 44 + QG2 ILE 136 OK 16 100 - 16 - 10326/3.0=2, ~10458=2...(5) HA SER 103 + QG2 ILE 136 OK 13 92 - 14 - 3.6/10457=3, 10326/3.0=2...(4) HA3 GLY 31 - QG2 ILE 136 lone 4 77 - 5 - Peak 9681 from aliabs.peaks (0.60, 3.71, 64.37 ppm; 4.71 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 132 + HA ILE 136 OK 86 100 - 86 - 9683/3.2=18, 9685/4.2=16...(29) QG1 VAL 71 + HA ILE 136 OK 61 96 - 63 - 9683/3.2=13, 9685/4.2=12...(17) QD1 LEU 66 + HA ILE 136 OK 56 100 - 56 - 9892/3.2=14, 10342/3.7=9...(13) Peak 9682 from aliabs.peaks (0.60, 1.93, 37.90 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 132 + HB ILE 136 OK 99 100 - 100 - ~9686=43, ~9686=36...(50) QD1 LEU 66 + HB ILE 136 OK 87 100 - 87 - 9892/2.1=17, ~9901=17...(27) QG1 VAL 71 + HB ILE 136 OK 78 81 - 96 - ~8517=17, ~8517=15...(40) Peak 9683 from aliabs.peaks (0.60, 0.89, 16.73 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 132 + QG2 ILE 136 OK 87 100 - 87 - 9600=13, 9685/3.0=13...(41) QG1 VAL 71 + QG2 ILE 136 OK 62 96 - 64 - 9685/3.0=10, 10342/2.3=6...(29) QD1 LEU 66 + QG2 ILE 136 OK 60 100 - 60 - 9892=16, 2.1/9901=10...(20) Peak 9684 from aliabs.peaks (0.60, 1.67, 28.66 ppm; 4.22 A): 3 out of 12 assignments used, quality = 1.00: QD1 LEU 132 + HG13 ILE 136 OK 96 100 - 97 - ~9686=27, 9685/2.1=23...(42) QD1 LEU 66 + HG13 ILE 136 OK 66 100 - 67 - 9892/2.3=15...(17) QG1 VAL 71 + HG13 ILE 136 OK 65 81 - 80 - 9685/2.1=13, 9683/2.3=12...(27) QD1 LEU 132 - HD3 LYS 93 OK 20 83 - 25 - ~10092=4, 10422=4...(6) QD1 LEU 66 - HD2 LYS 48 OK 16 84 - 18 - 1909/3.0=2, 9860/3.0=2...(5) QD1 LEU 66 - HD3 LYS 93 OK 15 83 - 18 - 9865/3.0=2, 9860/3.0=2 QD1 LEU 66 - HD3 LYS 48 OK 12 68 - 18 - 1909/3.0=2, 9860/3.0=2...(5) QG1 VAL 71 - HD3 LYS 93 poor 10 62 - 16 - ~8520=1, 2.1/2094=1 QG1 VAL 71 - HD2 LYS 48 lone 6 64 - 10 - QD1 LEU 132 - HD2 LYS 48 lone 6 84 - 7 - QG1 VAL 71 - HD3 LYS 48 lone 5 49 - 9 - QD1 LEU 132 - HD3 LYS 48 lone 4 68 - 6 - Peak 9685 from aliabs.peaks (0.59, 0.78, 13.00 ppm; 2.73 A): 3 out of 3 assignments used, quality = 0.91: QD1 LEU 132 + QD1 ILE 136 OK 70 94 - 74 - 2.1/9686=22, 10297=15...(25) QG1 VAL 71 + QD1 ILE 136 OK 54 100 - 54 - 8515=9, 9683/3.0=5...(23) QD1 LEU 66 + QD1 ILE 136 OK 37 94 - 39 - 2.1/10759=6, 9892/3.0=5...(15) Peak 9686 from aliabs.peaks (0.41, 0.78, 13.00 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 132 + QD1 ILE 136 OK 85 100 - 85 - 9686=26, 2.1/9685=17...(39) HG3 LYS 123 + QD1 ILE 136 OK 12 62 - 19 - 9686=6, 4.8/4635=2...(6) Peak 9687 from aliabs.peaks (0.39, 0.89, 16.73 ppm; 4.27 A): 0 out of 1 assignment used, low quality = 0.27: HG3 LYS 123 - QG2 ILE 136 OK 27 96 - 28 - 4.8/4611=6, ~9691=3...(12) Peak 9688 from aliabs.peaks (1.37, 0.78, 13.00 ppm; 3.13 A): 5 out of 5 assignments used, quality = 0.94: HG LEU 132 + QD1 ILE 136 OK 79 92 - 86 - 2.1/9686=28, 9688=21...(37) HB3 LEU 39 + QD1 ILE 136 OK 43 94 - 46 - 9688=12, 1.8/4639=6...(16) HD3 LYS 76 + QD1 ILE 136 OK 25 89 - 28 - 10464/4.8=5, 1.8/9689=4...(9) HB2 LEU 69 + QD1 ILE 136 OK 24 68 - 35 - 9688=6, 3.0/8468=4...(12) HB3 ARG 49 + QD1 ILE 136 OK 19 98 - 20 - 3.7/9669=6, 1.8/10759=3...(5) Peak 9689 from aliabs.peaks (1.53, 0.78, 13.00 ppm; 3.36 A): 5 out of 8 assignments used, quality = 0.93: QB ALA 135 + QD1 ILE 136 OK 61 94 - 65 - 10964/2.1=21...(17) HG3 PRO 57 + QD1 ILE 136 OK 42 77 - 55 - 9689=7, 2.3/9672=6...(28) HG2 LYS 93 + QD1 ILE 136 OK 40 89 - 45 - 9689=6, 3.0/4633=3...(23) HG3 LYS 76 + QD1 ILE 136 OK 36 100 - 36 - 9689=6, 10092/9686=5...(14) HD2 LYS 76 + QD1 ILE 136 OK 23 72 - 31 - 1.8/9688=5, 9689=4...(12) HB2 LEU 29 - QD1 ILE 136 OK 17 100 - 17 - 3.0/9672=6, 9689=2...(6) HB2 GLU 122 - QD1 ILE 136 OK 17 100 - 17 - 11037/9686=4, 9691/2.5=2 HG3 LYS 85 - QD1 ILE 136 lone 10 100 - 10 - 9693/4.2=1, 9691/2.5=1 Peak 9692 from aliabs.peaks (1.33, 3.71, 64.37 ppm; 4.73 A): 3 out of 3 assignments used, quality = 0.68: HG12 ILE 83 + HA ILE 136 OK 51 96 - 54 - 3.2/11041=13, ~10027=7...(17) QB ALA 60 + HA ILE 136 OK 26 81 - 32 - 8326/3.0=8, 9816/4.9=5...(8) HG2 LYS 85 + HA ILE 136 OK 12 94 - 12 - 1.8/9693=4, ~9691=2, ~7745=2 Peak 9693 from aliabs.peaks (1.52, 3.71, 64.37 ppm; 4.34 A): 8 out of 8 assignments used, quality = 0.95: HG3 PRO 57 + HA ILE 136 OK 54 96 - 57 - ~8263=7, 1538/3.7=7...(21) QB ALA 135 + HA ILE 136 OK 51 72 - 70 - ~7743=16, 4590/2.9=14...(13) HB2 LYS 123 + HA ILE 136 OK 30 81 - 37 - ~9687=15, 4.2/4591=6...(8) HG3 LYS 76 + HA ILE 136 OK 28 92 - 31 - ~10464=8, 7745/2.9=4...(10) HG3 LYS 85 + HA ILE 136 OK 22 99 - 22 - 1.8/9692=11, 9691/3.0=2...(5) HG2 LYS 93 + HA ILE 136 OK 20 62 - 31 - 5.1/7082=5, 9689/4.2=5...(14) HB2 GLU 122 + HA ILE 136 OK 15 99 - 15 - 9694/3.6=2, 9691/3.0=2...(4) HB2 LEU 29 + HA ILE 136 OK 12 89 - 13 - 7745/2.9=3, 4581/4.9=2...(4) Peak 9703 from aliabs.peaks (1.75, 4.47, 56.38 ppm; 4.07 A): 4 out of 7 assignments used, quality = 0.69: HG3 ARG 140 + HA ASP 137 OK 40 57 - 71 - 2.9/4722=15, 2.9/4712=15...(17) HB ILE 83 + HA ASP 137 OK 26 62 - 42 - 2.1/9705=22, 3.0/10018=8...(8) HG LEU 66 + HA ASP 137 OK 19 98 - 20 - ~9897=5, ~8404=4...(6) HG LEU 95 + HA ASP 137 OK 14 100 - 14 - 9698/3.6=3, 3144/4.9=2...(5) HB2 PRO 12 - HA ASP 137 lone 8 100 - 8 - 2516/9705=2, 2.3/4649=1 HB2 ARG 49 - HA ASP 137 lone 5 62 - 8 - 9698/3.6=2 HB3 ARG 35 - HA ASP 137 lone 2 77 - 2 - ~10969=1 Peak 9704 from aliabs.peaks (1.66, 4.47, 56.38 ppm; 4.09 A): 3 out of 14 assignments used, quality = 0.99: HG13 ILE 136 + HA ASP 137 OK 90 98 - 92 - 2.3/9679=23, 4634/2.9=17...(28) HG2 ARG 89 + HA ASP 137 OK 72 99 - 73 - 10372=34, 3.0/10499=24...(20) HG2 ARG 140 + HA ASP 137 OK 69 94 - 74 - 1.8/10498=19...(18) HD3 LYS 93 - HA ASP 137 OK 20 100 - 20 - 4634/2.9=4, 3.4/4650=2...(5) HB2 LEU 95 - HA ASP 137 OK 17 99 - 17 - 3.0/9703=4, 3128/4.9=3...(4) HG2 ARG 124 - HA ASP 137 OK 14 94 - 15 - 3.0/9713=2...(4) HB2 MET 68 - HA ASP 137 OK 13 85 - 15 - ~10471=3, 7764/2.9=2...(4) HB2 PRO 57 - HA ASP 137 OK 13 99 - 13 - 8263/9679=3, 4596/5.0=2 HB2 LYS 114 - HA ASP 137 OK 11 81 - 14 - ~9710=2, 4.9/4646=1, 7764/2.9=1 HB VAL 71 - HA ASP 137 OK 10 99 - 10 - 4596/5.0=2, 4616/9679=1 HD2 LYS 48 - HA ASP 137 lone 6 99 - 6 - 6.0/6430=1 HD3 LYS 48 - HA ASP 137 lone 5 81 - 6 - 6.0/6430=1 HB2 ARG 145 - HA ASP 137 lone 4 94 - 4 - HB3 LEU 26 - HA ASP 137 lone 1 62 - 2 - Peak 9705 from aliabs.peaks (0.89, 4.47, 56.38 ppm; 3.67 A): 3 out of 5 assignments used, quality = 0.96: QG2 ILE 136 + HA ASP 137 OK 81 92 - 88 - 9679=24, 4618/2.9=21...(30) QG2 ILE 101 + HA ASP 137 OK 59 96 - 61 - 7762/2.9=7, 2.1/4650=7...(24) QD1 ILE 101 + HA ASP 137 OK 51 92 - 55 - ~9707=8, 7762/2.9=7...(19) QG2 ILE 56 - HA ASP 137 OK 28 99 - 29 - 3.1/11203=9, 9705=9...(5) QD1 LEU 97 - HA ASP 137 OK 18 89 - 20 - 2.1/9705=7, 7762/2.9=2...(6) Peak 9706 from aliabs.peaks (1.91, 2.76, 40.38 ppm; 4.97 A): 6 out of 9 assignments used, quality = 0.93: HB ILE 101 + HB3 ASP 137 OK 62 85 - 73 - 3.0/9707=23, ~9711=12...(15) HB2 ARG 140 + HB3 ASP 137 OK 58 72 - 80 - ~4722=14, ~4722=13...(18) HB3 ARG 89 + HB3 ASP 137 OK 32 68 - 48 - ~10372=16, ~9703=6...(11) HG13 ILE 83 + HB3 ASP 137 OK 19 62 - 31 - ~9705=12, ~9711=6...(7) QE MET 68 + HB3 ASP 137 OK 12 100 - 12 - 7761/3.8=2, 9697/4.5=2 HB2 LYS 86 + HB3 ASP 137 OK 12 92 - 12 - 2.9/9707=3, ~9710=2, ~9710=2 HB3 LEU 69 - HB3 ASP 137 lone 8 89 - 9 - 7761/3.8=1, 9697/4.5=1 HB2 MET 59 - HB3 ASP 137 lone 6 100 - 6 - HG3 PRO 12 - HB3 ASP 137 lone 5 89 - 6 - ~9703=2 Peak 9707 from aliabs.peaks (1.50, 2.76, 40.38 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.68: HG13 ILE 101 + HB3 ASP 137 OK 56 94 - 59 - 9694/3.8=12, 2.1/9708=8...(14) HD3 LYS 114 + HB3 ASP 137 OK 26 92 - 28 - 9694/3.8=6, 9699/4.5=5...(12) HG2 LYS 34 - HB3 ASP 137 lone 8 92 - 9 - 9699/4.5=3, 9694/3.8=3 HB2 LYS 123 - HB3 ASP 137 lone 5 62 - 9 - 9699/4.5=4, 9694/3.8=3 Peak 9708 from aliabs.peaks (0.89, 2.76, 40.38 ppm; 5.12 A): 3 out of 5 assignments used, quality = 0.99: QG2 ILE 136 + HB3 ASP 137 OK 90 99 - 91 - 4.3/4658=35, 9676/1.8=28...(18) QG2 ILE 101 + HB3 ASP 137 OK 77 100 - 77 - 3.2/9707=23, 2.1/9706=12...(18) QD1 ILE 101 + HB3 ASP 137 OK 74 99 - 75 - 2.1/9707=26, ~9711=11...(17) QG2 ILE 56 - HB3 ASP 137 OK 29 100 - 29 - 11204/3.0=13, ~11203=10 QD1 LEU 97 - HB3 ASP 137 OK 22 98 - 22 - ~9705=6, 9705/3.0=3...(6) Peak 9709 from aliabs.peaks (1.90, 2.69, 40.38 ppm; 5.07 A): 3 out of 11 assignments used, quality = 0.96: HB ILE 101 + HB2 ASP 137 OK 74 100 - 74 - 2.1/9711=17, ~9707=17...(15) HB3 ARG 140 + HB2 ASP 137 OK 65 81 - 80 - 4722/3.0=14, ~4712=14...(18) HB3 ARG 89 + HB2 ASP 137 OK 53 100 - 54 - ~10372=17, 4650/3.0=7...(11) HB3 LYS 93 - HB2 ASP 137 OK 17 77 - 22 - 4650/3.0=3, 9697/4.5=3...(9) HB3 GLN 111 - HB2 ASP 137 OK 11 98 - 11 - 9697/4.5=2, 2.9/10351=2...(4) HB3 LEU 69 - HB2 ASP 137 lone 10 100 - 10 - 9697/4.5=1, 9706/1.8=1 QE MET 68 - HB2 ASP 137 lone 8 77 - 10 - 9697/4.5=2, 9706/1.8=1...(4) HB2 MET 59 - HB2 ASP 137 lone 6 89 - 7 - 8299/9711=1 HB3 LYS 24 - HB2 ASP 137 lone 6 98 - 6 - HB2 GLN 62 - HB2 ASP 137 lone 5 96 - 5 - 3.0/10351=1, 4649/3.0=1 HB3 ARG 141 - HB2 ASP 137 lone 5 62 - 8 - 4650/3.0=2, 9697/4.5=2 Peak 9710 from aliabs.peaks (1.47, 2.69, 40.38 ppm; 4.27 A): 3 out of 7 assignments used, quality = 0.61: QB ALA 134 + HB2 ASP 137 OK 46 62 - 74 - 2.1/4572=30, 9707/1.8=19...(8) HB2 LYS 76 + HB2 ASP 137 OK 17 94 - 18 - ~2247=1, ~2271=1...(8) HB3 LEU 66 + HB2 ASP 137 OK 14 100 - 14 - 3.1/9897=5, 3.1/8404=4...(4) HB3 LYS 114 - HB2 ASP 137 poor 9 62 - 14 - 4.6/7430=1, 4.9/4655=1...(6) HG3 LYS 86 - HB2 ASP 137 lone 7 98 - 7 - 9707/1.8=3, ~9706=1 HG LEU 126 - HB2 ASP 137 lone 4 96 - 4 - 9707/1.8=1 HB3 LEU 29 - HB2 ASP 137 lone 3 62 - 4 - 4569/4572=2 Peak 9711 from aliabs.peaks (0.88, 2.69, 40.38 ppm; 5.04 A): 4 out of 5 assignments used, quality = 0.74: QG2 ILE 101 + HB2 ASP 137 OK 49 68 - 73 - ~9707=16, 2.1/9709=11...(17) QG2 ILE 83 + HB2 ASP 137 OK 29 72 - 40 - 9705/3.0=13, ~10018=10...(9) QG2 ILE 56 + HB2 ASP 137 OK 18 77 - 23 - ~11203=10, 9705/3.0=10 HB3 LEU 42 + HB2 ASP 137 OK 13 89 - 15 - 4.5/6332=7, 3.2/10920=4, ~9070=2 QD1 LEU 64 - HB2 ASP 137 lone 3 85 - 4 - 9705/3.0=1 Peak 9713 from aliabs.peaks (3.23, 4.47, 56.38 ppm; 3.79 A): 3 out of 6 assignments used, quality = 0.87: HD3 ARG 89 + HA ASP 137 OK 58 94 - 61 - 10499=34, 3.0/10372=19...(13) HD2 ARG 140 + HA ASP 137 OK 44 81 - 55 - 2.9/10498=13...(14) HD3 ARG 140 + HA ASP 137 OK 43 81 - 53 - 2.9/10498=13...(13) HD3 ARG 124 - HA ASP 137 poor 10 98 - 10 - 10334/9679=2, 3.0/9704=1 HG3 MET 46 - HA ASP 137 lone 3 72 - 4 - HB3 TYR 117 - HA ASP 137 lone 1 77 - 1 - Peak 9715 from aliabs.peaks (3.19, 4.27, 60.21 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.50: HD2 ARG 141 + HA SER 138 OK 24 68 - 35 - 3.5/10469=12...(7) HD3 ARG 144 + HA SER 138 OK 19 100 - 20 - 3.0/9718=5, 3.0/9718=5...(6) HD2 ARG 144 + HA SER 138 OK 19 99 - 19 - 3.0/9718=5, 3.0/9718=5...(6) HA VAL 73 - HA SER 138 lone 6 77 - 8 - 10347/3.0=2, 10347/3.0=2...(4) HA LEU 39 - HA SER 138 lone 3 81 - 3 - ~9701=1 HD3 ARG 55 - HA SER 138 lone 2 92 - 3 - HD2 ARG 55 - HA SER 138 lone 2 72 - 2 - Peak 9716 from aliabs.peaks (2.68, 4.27, 60.21 ppm; 4.91 A): 4 out of 4 assignments used, quality = 0.78: HB2 ASP 137 + HA SER 138 OK 61 77 - 79 - 3.8/10480=27...(8) HB2 PHE 43 + HA SER 138 OK 24 100 - 25 - ~7779=7, 7778/2.9=6...(6) HB2 ASP 32 + HA SER 138 OK 14 85 - 16 - 3.0/10350=5, 7778/2.9=3...(5) HB3 TYR 115 + HA SER 138 OK 13 94 - 14 - ~9714=6, 122/2.9=5, 4645/4.9=1 Peak 9717 from aliabs.peaks (1.89, 4.27, 60.21 ppm; 3.70 A): 8 out of 9 assignments used, quality = 0.87: HB3 ARG 141 + HA SER 138 OK 39 96 - 40 - 1.8/10469=14, 3.5/9715=7...(12) HB3 ARG 140 + HA SER 138 OK 35 100 - 36 - 4.0/7816=8, 4722/4.9=7...(13) HB3 LYS 93 + HA SER 138 OK 31 100 - 32 - 1.8/10344=12...(8) HB3 GLN 111 + HA SER 138 OK 16 99 - 16 - 3.0/10348=3, 2.9/10485=3...(7) HB ILE 101 + HA SER 138 OK 16 85 - 19 - 4650/4.9=4, 9697/2.9=3...(7) HB3 ARG 89 + HA SER 138 OK 11 96 - 12 - 4650/4.9=4, 2.8/10468=2...(4) HB2 GLN 62 + HA SER 138 OK 11 100 - 11 - 9725/3.6=2, 1757/4.8=2 HB3 LEU 69 + HA SER 138 OK 11 81 - 14 - ~2012=1, 9722/3.0=1...(4) HB3 LYS 24 - HA SER 138 lone 6 99 - 6 - Peak 9718 from aliabs.peaks (1.61, 4.27, 60.21 ppm; 4.67 A): 6 out of 11 assignments used, quality = 0.84: HG2 ARG 141 + HA SER 138 OK 47 94 - 50 - 2.8/10469=17...(10) HG3 ARG 144 + HA SER 138 OK 32 100 - 33 - 3.0/9715=13, 3.0/9715=13...(4) HG2 ARG 144 + HA SER 138 OK 26 81 - 33 - 3.0/9715=13, 3.0/9715=13...(4) HG3 ARG 49 + HA SER 138 OK 21 100 - 21 - 3.0/1248=3, 3.0/1257=3...(7) HG3 LYS 48 + HA SER 138 OK 14 100 - 14 - 3.0/10468=2, 2.9/9717=2...(4) HB2 LEU 97 + HA SER 138 OK 10 92 - 11 - 3.0/10468=2, 3.1/10948=1 HG3 LYS 34 - HA SER 138 poor 8 62 - 12 - ~9721=6, ~9699=5 HB2 LEU 87 - HA SER 138 lone 8 94 - 8 - 3.0/10350=2, 2778/4.8=2 HG LEU 108 - HA SER 138 lone 7 96 - 8 - ~9257=2, ~9257=2 HD2 LYS 24 - HA SER 138 lone 5 62 - 8 - 10911/10345=3, 3.7/9717=1 HB3 LEU 64 - HA SER 138 lone 4 62 - 6 - ~9723=2 Peak 9719 from aliabs.peaks (2.77, 4.00, 62.89 ppm; 4.77 A): 4 out of 16 assignments used, quality = 0.95: HE2 LYS 114 + HB2 SER 138 OK 64 96 - 66 - 10470/3.0=9, 1.8/3821=8...(18) HE2 LYS 114 + HB3 SER 138 OK 63 96 - 66 - 10470/3.0=9, 1.8/3821=8...(18) HB3 ASP 137 + HB2 SER 138 OK 39 81 - 48 - 7779/4.0=17...(4) HB3 ASP 137 + HB3 SER 138 OK 39 81 - 48 - 7779/4.0=17...(4) HB3 TYR 119 - HB2 SER 138 OK 17 77 - 22 - ~10709=8, 1.8/10709=8...(5) HB3 TYR 119 - HB3 SER 138 OK 17 77 - 22 - ~10709=9, 1.8/10709=7...(5) HB2 ASP 41 - HB2 SER 138 OK 14 100 - 14 - 10470/3.0=5, ~10472=4, ~10348=3 HB2 ASP 41 - HB3 SER 138 OK 14 99 - 14 - 10470/3.0=5, ~10472=4, ~10348=3 HE3 LYS 76 - HB2 SER 138 OK 13 92 - 14 - 10470/3.0=2, ~10470=1 HE3 LYS 76 - HB3 SER 138 OK 13 91 - 14 - 10470/3.0=2, ~10470=1 HE2 LYS 76 - HB2 SER 138 poor 9 72 - 13 - 10470/3.0=2, ~10470=2 HE2 LYS 76 - HB3 SER 138 poor 9 72 - 13 - 10470/3.0=2, ~10470=2 HG3 GLN 111 - HB2 SER 138 poor 9 62 - 14 - 10470/3.0=4, 3.9/10486=2...(7) HG3 GLN 111 - HB3 SER 138 poor 9 62 - 14 - 10470/3.0=4, 3.9/10486=2...(7) HB2 PHE 38 - HB2 SER 138 lone 4 100 - 4 - 2.6/10482=1 HB2 PHE 38 - HB3 SER 138 lone 4 99 - 4 - 2.6/10482=1 Peak 9720 from aliabs.peaks (2.66, 4.00, 62.89 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9721 from aliabs.peaks (1.51, 4.00, 62.89 ppm; 3.78 A): 0 out of 6 assignments used, low quality = 0.00: HG2 LYS 34 - HB2 SER 138 lone 9 100 - 9 - 9699/4.0=4 HG2 LYS 34 - HB3 SER 138 lone 9 99 - 9 - 9699/4.0=4 HB2 LYS 123 - HB2 SER 138 lone 9 99 - 9 - 9699/4.0=3, 3.9/7524=2 HB2 LYS 123 - HB3 SER 138 lone 8 99 - 9 - 9699/4.0=3, 3.9/7524=2 HG3 PRO 57 - HB2 SER 138 lone 4 89 - 5 - 9699/4.0=1 HG3 PRO 57 - HB3 SER 138 lone 4 88 - 5 - 9699/4.0=1 Peak 9722 from aliabs.peaks (1.89, 4.00, 62.89 ppm; 4.56 A): 6 out of 22 assignments used, quality = 0.92: HB3 ARG 141 + HB2 SER 138 OK 43 100 - 43 - ~10469=10, 9717/3.0=9...(12) HB3 ARG 141 + HB3 SER 138 OK 43 99 - 43 - ~10469=10, 9717/3.0=9...(12) HB3 LYS 93 + HB3 SER 138 OK 32 100 - 32 - ~10344=8, 9717/3.0=7...(8) HB3 LYS 93 + HB2 SER 138 OK 32 100 - 32 - ~10344=8, 9717/3.0=7...(8) HB3 ARG 140 + HB3 SER 138 OK 29 100 - 29 - 4.0/9751=8, 9717/3.0=8...(11) HB3 ARG 140 + HB2 SER 138 OK 29 100 - 29 - 4.0/9751=8, 9717/3.0=8...(11) HB3 LEU 69 - HB2 SER 138 OK 23 68 - 34 - 1.8/2012=4, 3.2/2037=3...(18) HB3 LEU 69 - HB3 SER 138 OK 23 67 - 34 - 1.8/2012=4, 3.2/2037=3...(18) HB3 GLN 111 - HB2 SER 138 OK 20 94 - 21 - 9717/3.0=4, ~10348=3...(8) HB3 GLN 111 - HB3 SER 138 OK 20 94 - 21 - 9717/3.0=4, ~10348=3...(8) HB ILE 101 - HB2 SER 138 OK 17 72 - 24 - 2.1/9723=5, 3.2/9179=4...(7) HB ILE 101 - HB3 SER 138 OK 17 72 - 24 - 2.1/9723=5, 3.2/9179=4...(7) HB2 GLN 62 - HB2 SER 138 OK 11 96 - 12 - 9725/4.7=3, 9717/3.0=2...(4) HB2 GLN 62 - HB3 SER 138 OK 11 96 - 12 - 9725/4.7=3, 9717/3.0=2...(4) HB3 ARG 89 - HB3 SER 138 lone 8 88 - 9 - 9717/3.0=2, 9697/4.0=2, ~10468=1 HB3 ARG 89 - HB2 SER 138 lone 8 89 - 9 - 9717/3.0=2, 9697/4.0=2, ~10468=1 HB3 LYS 24 - HB2 SER 138 lone 6 94 - 6 - 9717/3.0=1 HB3 LYS 24 - HB3 SER 138 lone 6 94 - 6 - 9717/3.0=1 HB3 LYS 48 - HB2 SER 138 lone 4 57 - 7 - 9717/3.0=2, ~9718=1, ~9718=1 HB3 LYS 48 - HB3 SER 138 lone 4 57 - 7 - 9717/3.0=2, ~9718=1, ~9718=1 HB2 LYS 36 - HB3 SER 138 lone 4 57 - 6 - 9717/3.0=2, ~9718=2 HB2 LYS 36 - HB2 SER 138 lone 4 57 - 6 - 9717/3.0=2, ~9718=2 Peak 9723 from aliabs.peaks (0.87, 4.00, 62.89 ppm; 4.01 A): 0 out of 6 assignments used, low quality = 0.22: QG2 ILE 83 - HB2 SER 138 OK 12 89 - 13 - 10014/3.0=5...(5) QG2 ILE 83 - HB3 SER 138 OK 12 88 - 13 - 10014/3.0=5...(5) QD1 LEU 64 - HB2 SER 138 lone 4 96 - 4 - QD1 LEU 64 - HB3 SER 138 lone 4 96 - 4 - HB3 LEU 42 - HB2 SER 138 lone 4 98 - 4 - HB3 LEU 42 - HB3 SER 138 lone 4 98 - 4 - Peak 9729 from aliabs.peaks (0.86, 2.83, 39.01 ppm; 4.16 A): 2 out of 8 assignments used, quality = 0.66: QG2 ILE 83 + HB2 ASN 139 OK 62 94 - 66 - 10026/1.8=29...(8) QG2 ILE 83 + HB2 ASP 40 OK 12 50 - 23 - 10777/4.4=6, 10016/3.0=4...(6) QD1 LEU 64 - HB2 ASN 139 lone 9 85 - 10 - ~10495=3, 10363/3.0=2 HB3 LEU 42 - HB2 ASN 139 lone 6 81 - 7 - ~8148=3, 9733/3.5=1, 10363/3.0=1 QD2 LEU 97 - HB2 ASN 139 lone 3 94 - 3 - QD2 LEU 97 - HB2 ASP 40 lone 1 50 - 2 - QD1 LEU 64 - HB2 ASP 40 lone 1 43 - 2 - HB3 LEU 42 - HB2 ASP 40 lone 1 40 - 1 - Peak 9740 from aliabs.peaks (1.56, 2.83, 39.01 ppm; 5.72 A): 0 out of 18 assignments used, low quality = 0.24: HD2 LYS 76 - HB2 ASN 139 OK 14 68 - 21 - 9735/3.5=8, 9732/3.5=4...(4) HD2 LYS 85 - HB2 ASP 40 OK 12 48 - 24 - 10050/1.8=4, ~2615=4...(9) HD2 LYS 76 - HB2 ASP 40 poor 7 32 - 22 - ~6285=1, ~876=1, ~872=1...(12) HG2 ARG 109 - HB2 ASN 139 lone 6 99 - 6 - ~10362=2, ~10493=1, 2.8/9741=1 HG2 ARG 55 - HB2 ASN 139 lone 6 100 - 6 - 9735/3.5=2, 9726/4.0=1 HG3 ARG 55 - HB2 ASN 139 lone 5 100 - 5 - 9735/3.5=1, 9726/4.0=1 HB3 LEU 79 - HB2 ASN 139 lone 5 89 - 5 - 9726/4.0=1 HG2 ARG 55 - HB2 ASP 40 lone 4 57 - 7 - 5.1/10620=4, ~6280=1 HG3 ARG 55 - HB2 ASP 40 lone 4 57 - 7 - 5.1/10620=4, ~6280=1 HG2 ARG 145 - HB2 ASN 139 lone 3 92 - 3 - HG3 ARG 145 - HB2 ASN 139 lone 3 92 - 3 - HB2 LEU 126 - HB2 ASN 139 lone 2 85 - 3 - HB3 LEU 79 - HB2 ASP 40 lone 2 45 - 5 - ~8725=1, ~8725=1 HG2 ARG 109 - HB2 ASP 40 lone 2 55 - 4 - ~6279=2 HD2 LYS 85 - HB2 ASN 139 lone 2 92 - 2 - HB2 LEU 126 - HB2 ASP 40 lone 1 43 - 3 - HG2 ARG 145 - HB2 ASP 40 lone 1 48 - 2 - HG3 ARG 145 - HB2 ASP 40 lone 1 48 - 2 - Peak 9741 from aliabs.peaks (1.76, 2.83, 39.01 ppm; 5.28 A): 3 out of 12 assignments used, quality = 0.71: HB ILE 83 + HB2 ASN 139 OK 60 72 - 82 - 2.1/9729=32, ~10026=29...(9) HG LEU 39 + HB2 ASP 40 OK 19 29 - 65 - ~6281=24, ~868=20...(6) HG LEU 66 + HB2 ASN 139 OK 10 100 - 10 - 9731/3.5=2, 9734/3.5=2...(4) HB ILE 83 - HB2 ASP 40 poor 8 34 - 24 - 2.1/9729=6, ~10016=4...(7) HB2 PRO 12 - HB2 ASN 139 lone 7 100 - 7 - 2516/9729=2, 2.3/9742=1 HG LEU 95 - HB2 ASN 139 lone 6 100 - 6 - 2516/9729=3 HG LEU 66 - HB2 ASP 40 lone 5 56 - 9 - ~6282=7 HG LEU 39 - HB2 ASN 139 lone 3 62 - 5 - 10757/3.5=1 HB3 ARG 35 - HB2 ASN 139 lone 3 85 - 3 - HB3 ARG 35 - HB2 ASP 40 lone 2 43 - 6 - 6280/3.3=3 HG LEU 95 - HB2 ASP 40 lone 2 57 - 3 - HB2 PRO 12 - HB2 ASP 40 lone 2 57 - 3 - Peak 9742 from aliabs.peaks (1.92, 2.83, 39.01 ppm; 4.93 A): 3 out of 20 assignments used, quality = 0.95: HG13 ILE 83 + HB2 ASN 139 OK 66 89 - 74 - 3.2/9729=26, ~10026=21...(10) HB2 ARG 140 + HB2 ASN 139 OK 66 94 - 70 - 4.0/7819=26...(10) HB ILE 136 + HB2 ASN 139 OK 55 62 - 88 - 3.0/4600=33, ~4601=23...(14) QE MET 68 - HB2 ASP 40 OK 19 53 - 35 - 8454/3.3=31, 10447/1.8=2 HB2 ARG 89 - HB2 ASN 139 OK 18 72 - 26 - 7824/4.6=7, ~10362=5...(7) HB2 PRO 118 - HB2 ASN 139 OK 11 85 - 13 - 7824/4.6=2, ~10358=2...(5) HG13 ILE 83 - HB2 ASP 40 OK 11 45 - 23 - 3.2/9729=5, ~6282=5...(8) HG3 PRO 12 - HB2 ASN 139 OK 10 100 - 10 - 2.3/9741=2, 2519/9729=1 HB2 LYS 86 - HB2 ASN 139 lone 8 100 - 8 - 9736/3.5=3 HB2 ARG 140 - HB2 ASP 40 poor 8 50 - 15 - 3.0/10497=5, 4.0/7819=5 QE MET 68 - HB2 ASN 139 lone 7 98 - 7 - 8454/6284=2, 9736/3.5=1 HB2 MET 59 - HB2 ASN 139 lone 6 92 - 7 - 8299/9729=3 HB ILE 136 - HB2 ASP 40 poor 4 29 - 14 - 3.0/4600=5, ~6278=3...(5) HB3 LEU 69 - HB2 ASN 139 lone 3 62 - 5 - 9725/4.0=1 HB2 LYS 86 - HB2 ASP 40 lone 3 57 - 5 - ~8867=2 HB3 LEU 69 - HB2 ASP 40 lone 3 29 - 10 - ~6279=4, ~2007=4 HG3 PRO 12 - HB2 ASP 40 lone 2 56 - 3 - HB2 MET 59 - HB2 ASP 40 lone 2 48 - 3 - ~6280=1 HB2 PRO 118 - HB2 ASP 40 lone 1 43 - 3 - HB2 ARG 89 - HB2 ASP 40 lone 1 34 - 3 - Peak 9754 from aliabs.peaks (4.25, 3.96, 45.14 ppm; 4.40 A): 3 out of 8 assignments used, quality = 0.83: HA GLU 142 + HA3 GLY 143 OK 76 98 - 78 - 3.6/7871=35...(8) HA ARG 49 + HA3 GLY 143 OK 16 68 - 24 - 10383/1.8=10, ~9824=6...(4) HA ARG 141 + HA3 GLY 143 OK 14 57 - 24 - 7865/3.0=9, ~7864=5...(7) HB THR 92 - HA3 GLY 143 lone 9 100 - 9 - 7865/3.0=3, 10383/1.8=3 HA2 GLY 50 - HA3 GLY 143 lone 7 100 - 7 - 10518/1.8=5 HA ALA 135 - HA3 GLY 143 lone 2 92 - 2 - 10518/1.8=1 HA SER 138 - HA3 GLY 143 lone 2 68 - 3 - 10518/1.8=2 HB THR 99 - HA3 GLY 143 lone 2 68 - 2 - Peak 9755 from aliabs.peaks (1.88, 3.96, 45.14 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.97: HB2 ARG 144 + HA3 GLY 143 OK 91 99 - 92 - 4.0/7876=38, ~10381=38...(11) HB3 LYS 48 + HA3 GLY 143 OK 42 100 - 42 - 11638/1.8=8, ~11636=6...(14) HB2 LYS 48 + HA3 GLY 143 OK 39 94 - 42 - ~11638=7, 11638/1.8=7...(14) HB3 ARG 141 - HA3 GLY 143 OK 36 77 - 46 - ~10502=11, 3.0/10375=10...(8) HB2 LYS 36 - HA3 GLY 143 OK 33 100 - 33 - ~11639=7, 11638/1.8=6...(9) HB3 LEU 126 - HA3 GLY 143 OK 17 62 - 28 - 9752/3.0=24, 11076/9754=2 HB3 LYS 93 - HA3 GLY 143 poor 7 62 - 11 - ~9752=5, 11638/1.8=2 HB3 LYS 85 - HA3 GLY 143 lone 5 85 - 6 - 7878/3.5=1 Peak 9756 from aliabs.peaks (1.61, 3.96, 45.14 ppm; 6.09 A): 4 out of 11 assignments used, quality = 0.97: HG3 ARG 144 + HA3 GLY 143 OK 76 100 - 76 - 4910/3.5=34...(10) HG2 ARG 144 + HA3 GLY 143 OK 58 77 - 75 - 4.9/7876=34...(9) HG3 ARG 49 + HA3 GLY 143 OK 48 100 - 48 - 3.9/9754=25, ~9824=10...(7) HG3 LYS 48 + HA3 GLY 143 OK 38 100 - 38 - 11636/1.8=7, ~11638=5...(12) HG2 ARG 141 - HA3 GLY 143 OK 30 92 - 33 - 9753/3.0=8, 3.8/10375=8...(7) HB2 LEU 97 - HA3 GLY 143 OK 12 89 - 14 - ~10106=3, 9753/3.0=3...(4) HG LEU 108 - HA3 GLY 143 lone 9 94 - 9 - 2.1/9258=3, 9753/3.0=2 HB2 LEU 87 - HA3 GLY 143 lone 6 96 - 7 - 9753/3.0=1 HB3 LEU 64 - HA3 GLY 143 lone 3 68 - 5 - HD2 LYS 24 - HA3 GLY 143 lone 2 68 - 3 - HG3 LYS 34 - HA3 GLY 143 lone 2 68 - 2 - Peak 9757 from aliabs.peaks (6.94, 4.58, 55.86 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.92: * HD2 HIS 10 + HA HIS 10 OK 92 100 - 92 - 4.6=81, 9758/3.0=35, 4.0/5=34 QD PHE 23 - HA HIS 10 lone 4 100 - 3 - 9758/3.0=1, 9759/3.0=1 QD TYR 112 - HA HIS 10 lone 0 68 - 1 - Peak 9758 from aliabs.peaks (6.95, 3.04, 30.34 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.88: HD2 HIS 10 + HB2 HIS 10 OK 88 100 - 89 - 4.0=77, 9759/1.8=32, 9757/3.0=25 QD PHE 23 - HB2 HIS 10 lone 3 100 - 3 - 9759/1.8=1 Peak 9759 from aliabs.peaks (6.95, 3.08, 30.34 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.92: HD2 HIS 10 + HB3 HIS 10 OK 92 96 - 96 - 4.0=90, 9758/1.8=38...(4) QD PHE 23 - HB3 HIS 10 lone 4 98 - 4 - 9758/1.8=2 Peak 9760 from aliabs.peaks (3.75, 4.67, 52.83 ppm; 4.73 A): 0 out of 3 assignments used, low quality = 0.00: HA3 GLY 15 - HA MET 11 lone 3 100 - 3 - 8358/8366=2 HA2 GLY 15 - HA MET 11 lone 2 81 - 2 - 8358/8366=2 QA GLY 2 - HA MET 11 lone 1 99 - 1 - Peak 9762 from aliabs.peaks (3.02, 2.00, 16.84 ppm; 4.56 A): 0 out of 3 assignments used, low quality = 0.42: HB2 PHE 67 - QE MET 11 OK 24 85 - 29 - 5.8/10595=17...(4) HE3 LYS 36 - QE MET 11 OK 12 94 - 13 - 3.0/43=3, 6.7/11711=2 HE2 LYS 36 - QE MET 11 OK 12 92 - 13 - 3.0/43=3, 6.7/11711=2 Peak 9763 from aliabs.peaks (2.71, 2.00, 16.84 ppm; 3.75 A): 0 out of 6 assignments used, low quality = 0.38: HB3 ASP 13 - QE MET 11 OK 22 92 - 24 - 3.0/10590=13, 1.8/8007=11 HB3 MET 46 - QE MET 11 OK 20 81 - 24 - 1.8/10664=17, 3.0/46=3 HB3 CYS 121 - QE MET 11 lone 2 99 - 2 - HB3 TYR 70 - QE MET 11 lone 1 62 - 2 - HB3 GLU 120 - QE MET 11 lone 1 77 - 2 - HB2 ASN 84 - QE MET 11 lone 1 81 - 1 - Peak 9764 from aliabs.peaks (2.91, 2.00, 16.84 ppm; 3.96 A): 3 out of 3 assignments used, quality = 0.64: HE3 LYS 61 + QE MET 11 OK 32 100 - 32 - 3.0/10598=9, 3.0/10598=8...(8) HE2 LYS 61 + QE MET 11 OK 30 94 - 31 - 3.0/10598=9, 3.0/10598=8...(8) HB3 HIS 14 + QE MET 11 OK 25 72 - 35 - 4.0/10594=17...(3) Peak 9769 from aliabs.peaks (7.30, 1.76, 31.89 ppm; 5.65 A): 4 out of 5 assignments used, quality = 0.87: HZ2 TRP 17 + HB2 PRO 12 OK 69 85 - 81 - 2.8/10949=38, ~11252=25...(8) H PHE 67 + HB2 PRO 12 OK 30 85 - 35 - 9771/1.8=8, 11049/2.3=7...(11) QD TYR 115 + HB2 PRO 12 OK 29 72 - 41 - 2.2/4718=11, 9771/1.8=10...(6) H ASP 30 + HB2 PRO 12 OK 16 89 - 18 - 9771/1.8=7, 10665/2.3=4...(4) QE PHE 106 - HB2 PRO 12 poor 9 81 - 11 - 10665/2.3=3, ~9231=2...(4) Peak 9771 from aliabs.peaks (7.30, 2.24, 31.89 ppm; 5.30 A): 4 out of 4 assignments used, quality = 0.78: HZ2 TRP 17 + HB3 PRO 12 OK 47 62 - 76 - 2.8/11252=27, ~10949=26...(8) QD TYR 115 + HB3 PRO 12 OK 30 92 - 33 - ~4718=8, 10665/2.3=7...(6) H PHE 67 + HB3 PRO 12 OK 24 98 - 24 - 11048/1.8=9, 10665/2.3=6...(4) H ASP 30 + HB3 PRO 12 OK 21 99 - 21 - 11297=4, 10665/2.3=4...(7) Peak 9772 from aliabs.peaks (3.60, 4.53, 53.36 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.75: HA LYS 61 + HA ASP 13 OK 71 94 - 75 - 3.0/8006=24, 3.0/8005=23...(12) HA2 GLY 31 + HA ASP 13 OK 12 77 - 16 - 3.5/10812=7, 8016/10590=6 Peak 9773 from aliabs.peaks (1.59, 4.53, 53.36 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.91: HD3 LYS 61 + HA ASP 13 OK 68 89 - 77 - 3.6/8006=19, 3.6/8005=18...(14) HD2 LYS 61 + HA ASP 13 OK 65 85 - 76 - 3.6/8006=19, 3.6/8005=18...(14) HB2 LEU 79 + HA ASP 13 OK 15 89 - 17 - ~10115=10, 8008/3.0=5 HG3 LYS 36 - HA ASP 13 lone 8 100 - 8 - 3.0/8006=5, 8008/3.0=1 HB2 LEU 66 - HA ASP 13 lone 7 98 - 7 - ~9897=2, 8008/3.0=1, ~9858=1 HG3 ARG 124 - HA ASP 13 lone 6 100 - 6 - ~8007=1, 8008/3.0=1 HG3 ARG 109 - HA ASP 13 lone 4 92 - 5 - 3559/9772=1 HD3 LYS 85 - HA ASP 13 lone 1 77 - 1 - Peak 9774 from aliabs.peaks (1.25, 4.53, 53.36 ppm; 4.51 A): 3 out of 7 assignments used, quality = 0.94: HG2 LYS 61 + HA ASP 13 OK 82 98 - 84 - 3.0/8006=25, 3.8/9772=23...(14) HG3 LYS 61 + HA ASP 13 OK 65 77 - 84 - 3.0/8006=25, 3.8/9772=23...(14) HB2 LEU 132 + HA ASP 13 OK 12 62 - 19 - 9768=3, 1.8/8005=3...(9) HG13 ILE 58 - HA ASP 13 lone 6 100 - 6 - 1653/9772=2, 1664/8005=1 HB3 LEU 97 - HA ASP 13 lone 6 68 - 8 - 9768=2, 1664/8005=1, 1653/9772=1 HG12 ILE 58 - HA ASP 13 lone 4 89 - 5 - 1653/9772=1 HB3 LEU 87 - HA ASP 13 lone 2 68 - 3 - ~11053=1 Peak 9775 from aliabs.peaks (2.29, 4.63, 54.27 ppm; 4.57 A): 0 out of 8 assignments used, low quality = 0.36: HG3 GLU 75 - HA ARG 124 OK 26 100 - 26 - 3.0/4198=5, 2234/3.0=4...(10) HG3 GLU 81 - HA LEU 87 OK 14 39 - 36 - 8789/4.0=13, 8789/4.1=12...(6) HG3 GLU 81 - HA ARG 124 lone 9 100 - 9 - 9494/10342=4...(3) HG3 GLU 120 - HA ARG 124 lone 8 100 - 8 - 9494/10342=2, 4835/10379=1 HG3 GLU 75 - HA LEU 87 poor 8 39 - 21 - 8642/4.0=15, 8899/4.1=2...(4) HG3 GLU 120 - HA LEU 87 poor 6 39 - 16 - 8642/4.0=9, ~10767=2...(4) HG2 GLU 120 - HA ARG 124 lone 5 92 - 5 - 9494/10342=2 HG2 GLU 120 - HA LEU 87 poor 4 32 - 14 - 8642/4.0=7, 8899/4.1=2...(5) Peak 9776 from aliabs.peaks (4.04, 1.86, 29.45 ppm; 4.66 A): 3 out of 5 assignments used, quality = 0.56: HA VAL 63 + HB3 GLU 28 OK 26 68 - 39 - ~9868=15, 8052/1.8=13...(5) HA GLU 81 + HB3 GLU 28 OK 25 94 - 27 - 8052/1.8=10, ~11300=9...(4) HA GLU 37 + HB3 GLU 28 OK 21 85 - 24 - 8052/1.8=8, 8053/3.0=6...(7) HA LYS 123 - HB3 GLU 28 lone 7 96 - 7 - 8052/1.8=3, 8053/3.0=2 HB THR 107 - HB3 GLU 28 lone 5 92 - 6 - 8052/1.8=2, 8053/3.0=2 Peak 9777 from aliabs.peaks (4.04, 2.16, 26.52 ppm; 4.60 A): 3 out of 4 assignments used, quality = 0.70: HA GLN 25 + HG LEU 29 OK 56 77 - 73 - 2.9/212=9, 3.6/6074=8...(22) HD2 PRO 33 + HG LEU 29 OK 20 92 - 21 - ~9792=4, 10851/2.1=3...(11) HA LYS 24 + HG LEU 29 OK 15 94 - 16 - 10851/2.1=6, 10850/5.2=4...(5) HA LYS 123 - HG LEU 29 lone 3 62 - 5 - Peak 9778 from aliabs.peaks (2.37, 0.98, 25.10 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.89: HG2 GLN 25 + QD1 LEU 29 OK 83 100 - 83 - 10532/2.1=30, 10844=17...(23) HG3 MET 11 + QD1 LEU 29 OK 37 100 - 37 - 3.3/10601=13...(5) HG3 GLU 37 - QD1 LEU 29 lone 6 81 - 7 - 10532/2.1=2, 10844=1, 46/10601=1 HB2 GLN 47 - QD1 LEU 29 lone 2 68 - 3 - Peak 9779 from aliabs.peaks (1.81, 0.98, 25.10 ppm; 4.21 A): 9 out of 11 assignments used, quality = 0.94: HB3 LEU 72 + QD1 LEU 29 OK 55 98 - 56 - 3.4/8071=19, 1.8/8075=12...(10) HB3 MET 68 + QD1 LEU 29 OK 42 89 - 48 - 2.9/11531=13...(10) HB2 MET 11 + QD1 LEU 29 OK 29 100 - 29 - 4.2/10601=11, 3.0/9778=9...(4) HG2 PRO 57 + QD1 LEU 29 OK 21 68 - 31 - 2.3/10843=6, ~10842=4...(12) HD3 LYS 36 + QD1 LEU 29 OK 20 92 - 22 - 3.0/8063=5, 3.0/8063=5...(4) HB2 LYS 24 + QD1 LEU 29 OK 16 100 - 16 - ~10851=3, ~9777=3...(5) HD3 LYS 86 + QD1 LEU 29 OK 15 72 - 21 - ~8875=8, ~8875=5, 5.4/380=4 HD3 LYS 34 + QD1 LEU 29 OK 14 72 - 20 - 4.7/8060=4, 2.9/382=2...(5) HB2 ARG 124 + QD1 LEU 29 OK 12 100 - 12 - ~10534=2, 3.0/10843=2 HB2 ARG 141 - QD1 LEU 29 lone 6 85 - 7 - 1972/11531=1 HB VAL 80 - QD1 LEU 29 lone 5 62 - 8 - Peak 9781 from aliabs.peaks (2.44, 4.64, 52.22 ppm; 4.95 A): 2 out of 7 assignments used, quality = 0.95: HB3 PRO 33 + HA ASP 32 OK 92 100 - 92 - 3.0/425=36, 3.0/423=35...(15) HG2 MET 11 + HA ASP 32 OK 33 99 - 34 - 8014/4.9=9, 444/4.8=7...(9) HG2 MET 68 - HA ASP 32 OK 23 98 - 23 - 444/4.8=7, 428/3.8=6...(6) HG3 GLN 47 - HA ASP 32 OK 12 81 - 15 - 436/3.8=5, 428/3.8=4...(4) HG2 GLN 47 - HA ASP 32 OK 12 81 - 15 - 436/3.8=5, 428/3.8=4...(4) QE MET 46 - HA ASP 32 lone 7 68 - 10 - 10694/3.8=2, 428/3.8=1 HG2 GLN 133 - HA ASP 32 lone 3 62 - 4 - Peak 9782 from aliabs.peaks (2.09, 4.64, 52.22 ppm; 3.76 A): 2 out of 11 assignments used, quality = 0.95: HG3 PRO 33 + HA ASP 32 OK 84 100 - 84 - 2.3/425=32, 2.3/423=30...(13) HG2 PRO 33 + HA ASP 32 OK 71 85 - 83 - 2.3/425=32, 2.3/423=30...(13) HB3 GLU 142 - HA ASP 32 OK 24 94 - 26 - 10507=6, 1.8/10378=6...(10) HB3 GLN 25 - HA ASP 32 OK 19 81 - 23 - 211/3.8=7, 2.9/423=4...(8) HB2 LEU 26 - HA ASP 32 OK 19 92 - 20 - 3.0/423=4, 430/3.8=3...(9) HB2 PRO 129 - HA ASP 32 OK 13 100 - 12 - 430/3.8=2, 438/3.8=2...(4) HB3 LYS 36 - HA ASP 32 OK 12 77 - 16 - 10791/4.8=7, 430/3.8=2...(5) HD2 ARG 49 - HA ASP 32 OK 11 94 - 12 - ~11169=5, ~10824=2...(4) HB2 GLU 131 - HA ASP 32 lone 8 100 - 8 - 430/3.8=2, 438/3.8=2 HB3 LYS 61 - HA ASP 32 lone 6 98 - 6 - 1672/4.9=1, 8088/3.0=1 HG2 GLU 122 - HA ASP 32 lone 4 99 - 4 - 438/3.8=1 Peak 9783 from aliabs.peaks (2.03, 4.64, 52.22 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.95: HB2 PRO 33 + HA ASP 32 OK 86 98 - 88 - 3.0/425=32, 3.0/423=31...(14) HB3 LYS 34 + HA ASP 32 OK 67 100 - 67 - 1.8/10519=15...(14) HG2 PRO 98 - HA ASP 32 poor 10 81 - 12 - 435/3.8=3, 427/3.8=3, 443/4.8=2 HB2 GLU 37 - HA ASP 32 lone 4 92 - 5 - 10515/3.8=2 HB3 GLU 37 - HA ASP 32 lone 4 85 - 5 - 10515/3.8=2 Peak 9784 from aliabs.peaks (2.07, 2.89, 42.22 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.90: HA ARG 35 + HB3 ASP 32 OK 68 100 - 68 - 2.8/9771=33, ~10813=25...(5) HD2 ARG 49 + HB3 ASP 32 OK 34 68 - 50 - 3.0/11169=25...(6) HB2 LEU 26 + HB3 ASP 32 OK 31 72 - 43 - 3.0/8090=9, 9785/1.8=9...(10) HB3 GLN 62 + HB3 ASP 32 OK 19 94 - 20 - 9785/1.8=3, 3.0/419=3...(6) HB2 PRO 52 + HB3 ASP 32 OK 12 68 - 18 - 1349/4.8=6, ~425=5...(4) HG3 PRO 98 - HB3 ASP 32 poor 8 81 - 10 - ~9783=3, 9785/1.8=1...(4) Peak 9785 from aliabs.peaks (2.07, 2.69, 42.22 ppm; 4.66 A): 3 out of 8 assignments used, quality = 0.73: HA ARG 35 + HB2 ASP 32 OK 54 100 - 54 - 2.8/10813=19, ~9771=17...(6) HD2 ARG 49 + HB2 ASP 32 OK 24 85 - 28 - ~11169=10, 3.7/10804=10...(6) HB2 LEU 26 + HB2 ASP 32 OK 23 89 - 25 - 3.0/8089=6, ~8090=4...(8) HB3 GLN 62 - HB2 ASP 32 poor 9 81 - 11 - 3.0/415=2, 9784/1.8=2...(5) HB2 PRO 129 - HB2 ASP 32 poor 8 62 - 13 - 2.3/415=2, 9772/3.0=2...(4) HB2 GLU 131 - HB2 ASP 32 lone 5 68 - 7 - 4.6/9564=2, 9772/3.0=1 HB3 LYS 61 - HB2 ASP 32 lone 4 77 - 5 - HG3 PRO 98 - HB2 ASP 32 lone 3 62 - 5 - ~9783=1 Peak 9786 from aliabs.peaks (2.69, 4.05, 51.07 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HB2 ASP 32 + HD2 PRO 33 OK 100 100 - 100 - 4.8=100 HB3 TYR 115 + HD2 PRO 33 OK 69 100 - 70 - 1.8/10215=23, ~10809=14...(10) HB2 ASP 137 - HD2 PRO 33 OK 24 100 - 24 - 10351/3.8=10, 9788/1.8=4...(5) HB2 PHE 43 - HD2 PRO 33 OK 12 94 - 13 - 412/3.8=3, 420/4.8=3...(5) Peak 9787 from aliabs.peaks (2.91, 4.05, 51.07 ppm; 6.39 A): 2 out of 3 assignments used, quality = 0.63: HE3 LYS 61 + HD2 PRO 33 OK 41 99 - 42 - 9789/1.8=11, ~9789=8...(15) HE2 LYS 61 + HD2 PRO 33 OK 38 92 - 41 - ~9789=10, 9789/1.8=8...(16) HB3 HIS 14 - HD2 PRO 33 lone 6 68 - 8 - 8087/4.8=4 Peak 9788 from aliabs.peaks (2.69, 4.09, 51.07 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: HB2 ASP 32 + HD3 PRO 33 OK 100 100 - 100 - 4.8=100 HB3 TYR 115 + HD3 PRO 33 OK 49 96 - 51 - ~10215=16, 10991/1.8=10...(9) HB2 ASP 137 - HD3 PRO 33 OK 15 100 - 15 - 10351/3.8=6, 420/4.8=3...(4) HB2 PHE 43 - HD3 PRO 33 lone 7 85 - 8 - 412/3.8=2, 420/4.8=2...(4) HB3 CYS 121 - HD3 PRO 33 lone 1 72 - 1 - Peak 9789 from aliabs.peaks (2.90, 4.09, 51.07 ppm; 5.16 A): 3 out of 3 assignments used, quality = 0.88: HB3 ASP 32 + HD3 PRO 33 OK 77 77 - 100 - 4.8=100 HE3 LYS 61 + HD3 PRO 33 OK 30 85 - 36 - 9787/1.8=12, ~9787=10...(13) HE2 LYS 61 + HD3 PRO 33 OK 24 68 - 35 - ~9787=11, 9787/1.8=11...(13) Peak 9790 from aliabs.peaks (1.82, 4.41, 64.61 ppm; 4.76 A): 4 out of 8 assignments used, quality = 0.97: HB2 MET 11 + HA PRO 33 OK 67 96 - 70 - 21/2.3=12, ~27=9...(21) HB3 MET 68 + HA PRO 33 OK 62 100 - 63 - 2.9/444=9, ~1980=8...(20) HD3 LYS 36 + HA PRO 33 OK 62 100 - 62 - 3.6/10791=22...(9) HB2 LYS 24 + HA PRO 33 OK 44 94 - 46 - ~10894=10, 10877/3.6=9...(14) HB2 ARG 141 - HA PRO 33 lone 9 100 - 9 - 679/10791=3...(4) HB2 ARG 124 - HA PRO 33 lone 8 81 - 10 - 3.0/9791=3, ~10799=2 HB3 LEU 72 - HA PRO 33 lone 6 68 - 9 - ~9952=1, ~9944=1 HB VAL 80 - HA PRO 33 lone 5 96 - 5 - ~8750=1 Peak 9791 from aliabs.peaks (4.63, 4.41, 64.61 ppm; 5.56 A): 5 out of 6 assignments used, quality = 0.93: HA ASP 32 + HA PRO 33 OK 81 81 - 100 - 4.8=100 HA PRO 129 + HA PRO 33 OK 28 100 - 28 - 10525/3.8=10, 4368/3.8=4...(8) HA LEU 87 + HA PRO 33 OK 28 99 - 28 - 10798/3.6=8, 10525/3.8=6...(7) HA ARG 124 + HA PRO 33 OK 18 98 - 19 - 10798/3.6=5, 10799/2.3=3...(5) HA GLN 62 + HA PRO 33 OK 13 98 - 13 - 10525/3.8=3, 30/2.3=2...(5) HA ASN 139 - HA PRO 33 poor 9 62 - 14 - 422/3.6=3, 424/3.6=3...(5) Peak 9792 from aliabs.peaks (1.49, 2.09, 27.24 ppm; 4.41 A): 3 out of 5 assignments used, quality = 0.54: HG13 ILE 101 + HG3 PRO 33 OK 33 100 - 33 - 10180/2.3=8, ~9180=6...(12) QB ALA 134 + HG3 PRO 33 OK 19 94 - 20 - 10322=6, 9640/2.3=4...(4) HB3 LEU 29 + HG3 PRO 33 OK 15 94 - 16 - ~9777=4, ~10851=3...(6) HD3 LYS 114 - HG3 PRO 33 lone 7 100 - 7 - 3.6/9793=2 HB2 LYS 76 - HG3 PRO 33 lone 1 62 - 2 - Peak 9793 from aliabs.peaks (1.65, 2.09, 27.24 ppm; 4.22 A): 2 out of 10 assignments used, quality = 0.89: HB2 PRO 57 + HG3 PRO 33 OK 76 94 - 80 - 11514/1.8=18, 2.3/474=16...(23) HB3 LEU 26 + HG3 PRO 33 OK 53 99 - 54 - 3.0/479=7, 253=6...(24) HB2 LYS 114 - HG3 PRO 33 lone 8 100 - 8 - 3.6/9792=2 HB VAL 71 - HG3 PRO 33 poor 8 62 - 13 - ~9913=3, ~9894=3...(4) HG2 ARG 124 - HG3 PRO 33 lone 4 99 - 4 - HG2 ARG 140 - HG3 PRO 33 lone 3 99 - 3 - HB2 LEU 95 - HG3 PRO 33 lone 3 62 - 5 - ~10942=1 HD3 LYS 93 - HG3 PRO 33 lone 2 68 - 3 - HD2 LYS 48 - HG3 PRO 33 lone 2 62 - 3 - HG2 ARG 89 - HG3 PRO 33 lone 1 62 - 1 - Peak 9794 from aliabs.peaks (6.97, 1.51, 25.32 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.76: QD PHE 38 + HG2 LYS 34 OK 76 100 - 76 - 9797/1.8=38, 8098/2.9=25...(5) QE PHE 43 - HG2 LYS 34 lone 3 72 - 4 - Peak 9795 from aliabs.peaks (7.07, 1.51, 25.32 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.52: QE PHE 67 + HG2 LYS 34 OK 38 85 - 45 - 9796/2.9=33...(4) QD TYR 70 + HG2 LYS 34 OK 23 68 - 33 - 9800/2.9=21, 9800/2.9=15 Peak 9796 from aliabs.peaks (7.06, 1.96, 31.69 ppm; 5.33 A): 0 out of 1 assignment used, low quality = 0.37: QE PHE 67 - HB2 LYS 34 OK 37 99 - 38 - 9795/2.9=20...(3) Peak 9797 from aliabs.peaks (6.97, 1.63, 25.32 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.74: QD PHE 38 + HG3 LYS 34 OK 74 96 - 77 - 9794/1.8=38, 8098/2.9=26...(6) Peak 9798 from aliabs.peaks (7.10, 1.63, 25.32 ppm; 5.20 A): 0 out of 1 assignment used, low quality = 0.39: H MET 68 - HG3 LYS 34 OK 39 100 - 39 - 10800/2.9=12...(6) Peak 9799 from aliabs.peaks (2.38, 4.07, 57.19 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.74: HG3 GLU 37 + HA LYS 34 OK 59 100 - 59 - 1.8/10918=33...(12) HG3 MET 11 + HA LYS 34 OK 38 77 - 49 - 3.0/484=8, 38/3.0=7...(22) HG2 MET 46 - HA LYS 34 poor 8 62 - 13 - 3.3/10485=5, 10715/3.0=3 HG2 GLN 25 - HA LYS 34 poor 8 72 - 11 - 2.9/10917=2...(4) HG2 MET 59 - HA LYS 34 lone 4 72 - 5 - Peak 9800 from aliabs.peaks (7.08, 1.79, 28.26 ppm; 4.50 A): 0 out of 2 assignments used, low quality = 0.10: QD TYR 70 - HD2 LYS 34 OK 10 96 - 11 - 9795/2.9=7, 5.0/8495=2 QD TYR 70 - HD3 LYS 34 lone 7 74 - 10 - 9795/2.9=7, 8523/9900=1 Peak 9801 from aliabs.peaks (7.09, 2.07, 58.34 ppm; 6.27 A): 2 out of 2 assignments used, quality = 0.55: H MET 68 + HA ARG 35 OK 38 85 - 45 - 4.8/9803=21...(8) QD TYR 70 + HA ARG 35 OK 27 89 - 30 - 9804/4.9=13, 2.6/591=9...(6) Peak 9802 from aliabs.peaks (6.98, 2.07, 58.34 ppm; 5.90 A): 2 out of 2 assignments used, quality = 0.85: QD PHE 38 + HA ARG 35 OK 80 96 - 83 - 2.6/592=34, 4.3/11164=32...(11) QE PHE 43 + HA ARG 35 OK 24 98 - 25 - 4755/8100=9, 10881/3.9=3...(8) Peak 9803 from aliabs.peaks (6.84, 2.07, 58.34 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.66: QD PHE 67 + HA ARG 35 OK 56 85 - 66 - 2.2/9776=43, 4.8/9801=16...(5) HZ2 TRP 88 + HA ARG 35 OK 23 85 - 27 - 10802/3.0=8, 5.0/589=7...(6) Peak 9804 from aliabs.peaks (7.08, 3.86, 59.44 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.47: QD TYR 70 + HA LYS 36 OK 47 99 - 48 - 2.2/8101=16, ~10776=13...(6) Peak 9805 from aliabs.peaks (6.66, 1.40, 25.32 ppm; 5.75 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9806 from aliabs.peaks (6.64, 1.58, 25.32 ppm; 4.96 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9807 from aliabs.peaks (0.72, 2.26, 36.00 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.77: QD1 LEU 87 + HG3 GLU 90 OK 54 96 - 56 - 3.2/10973=10...(18) QD2 LEU 87 + HG3 GLU 90 OK 50 96 - 52 - 8898/3.0=13, 8899/1.8=12...(15) Peak 9808 from aliabs.peaks (0.34, 2.26, 36.00 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.74: QD1 ILE 91 + HG3 GLU 90 OK 60 96 - 62 - 10077/3.0=24...(12) HG2 LYS 123 + HG3 GLU 90 OK 34 100 - 35 - 10077/3.0=10, 8955/4.6=8...(9) QD2 LEU 42 - HG3 GLU 90 lone 5 72 - 7 - 10075/3.8=2...(3) Peak 9809 from aliabs.peaks (6.29, 4.17, 60.77 ppm; 5.95 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 38 + HA PHE 38 OK 94 94 - 100 - 4.7=100 Peak 9810 from aliabs.peaks (7.06, 2.77, 39.24 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.55: QE PHE 67 + HB2 PHE 38 OK 55 100 - 55 - 8109/1.8=35, ~8107=17...(7) Peak 9811 from aliabs.peaks (3.85, 0.03, 26.33 ppm; 4.54 A): 3 out of 8 assignments used, quality = 0.95: HA LYS 36 + QD1 LEU 39 OK 83 94 - 88 - 8104=41, 6253/4.3=23...(19) HA LEU 66 + QD1 LEU 39 OK 47 62 - 75 - ~11496=12, 3.6/8406=12...(22) HA LEU 72 + QD1 LEU 39 OK 42 72 - 58 - 8134/2.1=14, 2.9/860=11...(15) HA GLN 133 - QD1 LEU 39 OK 29 81 - 36 - 8134/2.1=10, 9616/3.2=7...(8) HA MET 68 - QD1 LEU 39 OK 22 94 - 24 - 8134/2.1=6, ~8442=5...(7) HD2 PRO 118 - QD1 LEU 39 OK 12 100 - 12 - 8117/2.1=2, 8134/2.1=1...(4) HA ALA 104 - QD1 LEU 39 OK 10 94 - 11 - 8134/2.1=3, 8117/2.1=2 HB2 SER 127 - QD1 LEU 39 lone 9 89 - 10 - 8134/2.1=2, 9520/11064=2 Peak 9812 from aliabs.peaks (7.03, 0.03, 26.33 ppm; 5.18 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9813 from aliabs.peaks (2.40, 4.16, 62.77 ppm; 4.35 A): 6 out of 16 assignments used, quality = 0.78: HB ILE 91 + HB3 SER 44 OK 36 100 - 36 - 9817/3.0=11, 3.2/8991=6...(12) HB ILE 91 + HB2 SER 44 OK 35 100 - 35 - 9817/3.0=11, 3.2/8991=6...(11) HG2 MET 46 + HB3 SER 44 OK 16 96 - 17 - 9817/3.0=9, 9793/3.9=4 HG2 MET 46 + HB2 SER 44 OK 16 96 - 17 - 9817/3.0=9, 9793/3.9=4 HG3 GLN 25 + HB3 SER 44 OK 14 98 - 15 - 9817/3.0=7, ~997=3, 234/3.9=3 HG3 GLN 25 + HB2 SER 44 OK 14 98 - 15 - 9817/3.0=7, ~997=3, 234/3.9=3 HG3 MET 59 - HB3 SER 44 lone 9 98 - 9 - 9817/3.0=3, ~9817=2, 9793/3.9=1 HG3 MET 59 - HB2 SER 44 lone 9 98 - 9 - 9817/3.0=3, ~9817=2, 9793/3.9=1 HG2 MET 59 - HB3 SER 44 lone 8 92 - 8 - 9817/3.0=3, ~9817=2, 9793/3.9=1 HG2 MET 59 - HB2 SER 44 lone 8 91 - 8 - 9817/3.0=3, ~9817=2, 9793/3.9=1 HB3 PRO 118 - HB3 SER 44 lone 4 89 - 4 - 9817/3.0=2 HB3 PRO 118 - HB2 SER 44 lone 4 88 - 4 - 9817/3.0=2 HG3 GLN 133 - HB3 SER 44 lone 3 68 - 4 - ~8178=1, ~8178=1 HG3 GLN 133 - HB2 SER 44 lone 3 67 - 4 - ~8178=1, ~8178=1 HG2 GLN 133 - HB3 SER 44 lone 2 62 - 4 - ~8178=1, ~8178=1 HG2 GLN 133 - HB2 SER 44 lone 2 62 - 4 - ~8178=1, ~8178=1 Peak 9814 from aliabs.peaks (2.75, 4.16, 62.77 ppm; 5.59 A): 6 out of 18 assignments used, quality = 0.96: HE2 LYS 76 + HB3 SER 44 OK 48 85 - 56 - 3.0/2307=7, 3.0/2296=7...(20) HE2 LYS 76 + HB2 SER 44 OK 48 85 - 56 - 3.0/2307=7, 3.0/2296=7...(20) HB3 ASP 40 + HB3 SER 44 OK 44 94 - 47 - 1.8/10505=17, ~10505=13...(6) HB3 ASP 40 + HB2 SER 44 OK 44 94 - 47 - 1.8/10505=17, ~10505=13...(6) HE3 LYS 76 + HB3 SER 44 OK 35 62 - 56 - 3.0/2307=7, 3.0/2296=7...(18) HE3 LYS 76 + HB2 SER 44 OK 35 62 - 56 - 3.0/2307=7, 3.0/2296=7...(18) HB3 PHE 43 - HB3 SER 44 OK 32 100 - 32 - 4.5/6352=20, 5.8/10728=6...(4) HB3 PHE 43 - HB2 SER 44 OK 32 100 - 32 - 4.5/6352=20, 5.8/10728=6...(4) HB3 ASP 137 - HB3 SER 44 OK 21 77 - 28 - 6347/3.9=6, ~4653=5...(12) HB3 ASP 137 - HB2 SER 44 OK 21 77 - 28 - 6347/3.9=6, ~4653=5...(11) HB2 ASN 54 - HB3 SER 44 OK 11 100 - 11 - 1.8/10505=3, ~10505=3...(4) HB2 ASN 54 - HB2 SER 44 OK 11 100 - 11 - 1.8/10505=3, ~10505=3...(4) HG3 MET 113 - HB3 SER 44 lone 5 100 - 5 - 6347/3.9=2 HG3 MET 113 - HB2 SER 44 lone 5 100 - 5 - 6347/3.9=2 HB3 ASP 16 - HB3 SER 44 lone 4 100 - 4 - 10270/3.9=3 HB3 ASP 16 - HB2 SER 44 lone 4 99 - 4 - 10270/3.9=3 HB2 ASN 96 - HB3 SER 44 lone 3 100 - 3 - HB2 ASN 96 - HB2 SER 44 lone 3 100 - 3 - Peak 9815 from aliabs.peaks (2.95, 4.16, 62.77 ppm; 4.83 A): 8 out of 22 assignments used, quality = 0.81: HE3 LYS 48 + HB3 SER 44 OK 25 100 - 25 - 3.0/8167=6, ~8167=5...(8) HE3 LYS 48 + HB2 SER 44 OK 25 100 - 25 - 3.0/8167=6, ~8167=5...(8) HE2 LYS 48 + HB3 SER 44 OK 25 100 - 25 - 3.0/8167=6, ~8167=5...(8) HE2 LYS 48 + HB2 SER 44 OK 25 99 - 25 - 3.0/8167=6, ~8167=5...(8) HE2 LYS 93 + HB3 SER 44 OK 13 100 - 13 - 3.0/8167=3, ~8167=3...(5) HE2 LYS 93 + HB2 SER 44 OK 13 100 - 13 - 3.0/8167=3, ~8167=3...(5) HE3 LYS 93 + HB3 SER 44 OK 12 92 - 13 - 3.0/8167=3, ~8167=3...(6) HE3 LYS 93 + HB2 SER 44 OK 12 91 - 13 - 3.0/8167=3, ~8167=3...(6) HE2 LYS 85 - HB3 SER 44 lone 6 100 - 6 - HE2 LYS 85 - HB2 SER 44 lone 6 100 - 6 - HE3 LYS 85 - HB3 SER 44 lone 6 99 - 6 - HE3 LYS 85 - HB2 SER 44 lone 6 99 - 6 - HB2 TYR 119 - HB3 SER 44 lone 3 81 - 4 - 4.4/7483=1, 3.9/9424=1 HB2 TYR 119 - HB2 SER 44 lone 3 81 - 4 - 4.4/7483=1 HB2 TYR 115 - HB3 SER 44 lone 2 100 - 2 - HB2 TYR 115 - HB2 SER 44 lone 2 99 - 2 - HB2 PHE 106 - HB3 SER 44 lone 1 99 - 1 - HB2 PHE 106 - HB2 SER 44 lone 1 99 - 1 - HB3 PHE 67 - HB3 SER 44 lone 1 99 - 1 - HB3 PHE 67 - HB2 SER 44 lone 1 99 - 1 - HB3 ASN 130 - HB3 SER 44 lone 1 77 - 1 - HB3 ASN 130 - HB2 SER 44 lone 1 77 - 1 - Peak 9816 from aliabs.peaks (3.49, 4.16, 62.77 ppm; 4.71 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9817 from aliabs.peaks (2.40, 4.46, 61.36 ppm; 3.71 A): 3 out of 6 assignments used, quality = 0.48: HB ILE 91 + HA SER 44 OK 24 99 - 24 - 9813/3.0=4, 9813/3.0=4...(10) HG2 MET 46 + HA SER 44 OK 20 100 - 20 - 11507/4.8=4, 5.1/6377=4...(7) HG3 GLN 25 + HA SER 44 OK 16 100 - 15 - 1.8/997=4, 234/2.9=3...(7) HG2 MET 59 - HA SER 44 lone 7 99 - 7 - HG3 MET 59 - HA SER 44 lone 7 100 - 7 - 9793/2.9=1, 9813/3.0=1 HB3 PRO 118 - HA SER 44 lone 3 72 - 4 - Peak 9818 from aliabs.peaks (6.26, 4.22, 60.96 ppm; 4.96 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9819 from aliabs.peaks (6.26, 3.53, 38.81 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9820 from aliabs.peaks (3.21, 3.91, 56.95 ppm; 5.24 A): 1 out of 11 assignments used, quality = 0.96: HG3 MET 46 + HA MET 46 OK 96 96 - 100 - 4.1=100 HA VAL 73 - HA MET 46 OK 26 92 - 29 - 9795/2.9=7, 3.0/1047=5...(8) HB3 TYR 117 - HA MET 46 OK 22 94 - 23 - 1087/5.2=5, ~6374=4...(6) HD3 ARG 140 - HA MET 46 OK 22 92 - 23 - 6403/3.6=6, 9795/2.9=6...(6) HD2 ARG 140 - HA MET 46 OK 21 92 - 23 - 8175/3.6=7, ~9795=5...(5) HA LEU 39 - HA MET 46 OK 20 89 - 23 - 3.0/10501=7, 3.0/11506=6...(6) HD3 ARG 141 - HA MET 46 lone 9 100 - 9 - 9795/2.9=2, 6403/3.6=1...(5) HD2 ARG 141 - HA MET 46 lone 9 96 - 9 - 9795/2.9=2, 3.0/11505=1...(4) HD3 ARG 124 - HA MET 46 poor 7 68 - 11 - 10523/10389=4...(3) HD2 ARG 55 - HA MET 46 lone 5 94 - 5 - 10388/10389=2 HD3 ARG 55 - HA MET 46 lone 3 77 - 4 - 10388/10389=2 Peak 9821 from aliabs.peaks (2.42, 3.96, 59.08 ppm; 4.17 A): 3 out of 8 assignments used, quality = 0.94: HG3 GLN 47 + HA LYS 48 OK 71 94 - 75 - ~6437=12, ~1118=12...(17) HG2 GLN 47 + HA LYS 48 OK 71 94 - 75 - ~6437=12, ~1118=12...(17) HG3 GLN 133 + HA LYS 48 OK 30 100 - 30 - 10439=5, 6438/3.0=4...(12) HG2 GLN 133 - HA LYS 48 OK 29 100 - 29 - 10439=5, 6438/3.0=4...(12) HB ILE 91 - HA LYS 48 OK 11 77 - 14 - 9801/3.8=5, 9800/3.8=3 QE MET 46 - HA LYS 48 lone 9 99 - 10 - 6438/3.0=2, 9822/3.8=2 HG2 MET 68 - HA LYS 48 lone 6 72 - 8 - 3.3/8421=2 HB3 PRO 118 - HA LYS 48 lone 5 100 - 5 - 3956/4.8=1, 8190/8187=1 Peak 9822 from aliabs.peaks (2.41, 1.44, 25.35 ppm; 4.67 A): 8 out of 11 assignments used, quality = 0.91: HG2 GLN 47 + HG2 LYS 48 OK 40 77 - 52 - 4.9/1172=20, 9821/3.8=9...(12) HG3 GLN 47 + HG2 LYS 48 OK 40 77 - 52 - 4.9/1172=20, 9821/3.8=9...(12) HB ILE 91 + HG2 LYS 48 OK 32 94 - 34 - 9800/1.8=6, 2958=5...(9) HG3 GLN 133 + HG2 LYS 48 OK 21 94 - 22 - 9821/3.8=4, 10303/2.9=2...(9) HG2 GLN 133 + HG2 LYS 48 OK 20 92 - 22 - 9821/3.8=4, 10303/2.9=2...(9) HG3 MET 59 + HG2 LYS 48 OK 18 77 - 24 - ~9823=8, 9800/1.8=5...(8) QE MET 46 + HG2 LYS 48 OK 17 89 - 19 - ~9823=2, 10490/3.0=2...(10) HG2 MET 59 + HG2 LYS 48 OK 15 62 - 24 - ~9823=7, 9800/1.8=5...(7) HG2 MET 46 - HG2 LYS 48 lone 5 72 - 7 - 9800/1.8=2, ~10490=1 HG3 GLN 25 - HG2 LYS 48 lone 4 77 - 5 - ~9800=1 HB3 PRO 118 - HG2 LYS 48 lone 4 100 - 4 - Peak 9823 from aliabs.peaks (2.40, 1.61, 25.35 ppm; 4.84 A): 4 out of 6 assignments used, quality = 0.67: HG2 MET 59 + HG3 LYS 48 OK 30 100 - 30 - ~9801=6, 9801/1.8=6...(9) HG3 MET 59 + HG3 LYS 48 OK 28 98 - 29 - 9801/1.8=7, ~9801=6...(9) HB ILE 91 + HG3 LYS 48 OK 26 85 - 30 - 9801/1.8=6, 3.0/1187=4...(8) HG2 MET 46 + HG3 LYS 48 OK 12 99 - 12 - 9801/1.8=3, ~9822=2...(4) HG3 GLN 25 - HG3 LYS 48 lone 7 98 - 8 - ~9801=2, 9801/1.8=2 HG3 GLU 37 - HG3 LYS 48 lone 6 72 - 8 - 4.4/6221=4, 9801/1.8=1 Peak 9824 from aliabs.peaks (3.92, 1.74, 30.11 ppm; 4.75 A): 4 out of 4 assignments used, quality = 0.84: HD2 PRO 129 + HB2 ARG 49 OK 53 100 - 53 - 8198/3.0=12, 3.0/1253=7...(15) HA2 GLY 143 + HB2 ARG 49 OK 39 100 - 39 - ~9754=15, 8198/3.0=11...(9) HA MET 46 + HB2 ARG 49 OK 31 68 - 46 - 8194/3.7=11, 9802/3.0=10...(7) HA TYR 112 + HB2 ARG 49 OK 20 100 - 20 - 7395/3.7=5, 8194/3.7=3...(7) Peak 9825 from aliabs.peaks (3.91, 1.61, 26.78 ppm; 4.64 A): 3 out of 8 assignments used, quality = 0.88: HA MET 46 + HG3 ARG 49 OK 67 100 - 67 - 11505=17, 11506/1.8=17...(11) HD2 PRO 129 + HG3 ARG 49 OK 52 85 - 61 - 8194/3.0=9, 9824/3.0=7...(23) HA2 GLY 143 + HG3 ARG 49 OK 25 85 - 30 - 8198/3.9=9, 9824/3.0=6...(9) HA TYR 112 - HG3 ARG 49 poor 9 68 - 14 - 8194/3.0=3, 9824/3.0=3...(4) HA TYR 112 - HG LEU 108 poor 6 38 - 16 - ~9296=10, 9302/2.1=2, 9302/2.1=2 HA MET 46 - HG LEU 108 lone 6 66 - 9 - 11505=2, 6433/3493=1 HA2 GLY 143 - HG LEU 108 lone 4 51 - 7 - ~9258=2, 3.0/9753=1 HD2 PRO 129 - HG LEU 108 lone 1 51 - 3 - Peak 9826 from aliabs.peaks (7.19, 2.08, 44.13 ppm; 6.22 A): 2 out of 2 assignments used, quality = 0.74: H LYS 36 + HD2 ARG 49 OK 64 96 - 67 - ~8195=29, 10667/1.8=15...(14) QD TYR 27 + HD2 ARG 49 OK 29 89 - 32 - 10667/1.8=10, ~11182=9...(7) Peak 9827 from aliabs.peaks (7.12, 2.08, 44.13 ppm; 5.09 A): 1 out of 3 assignments used, quality = 0.69: QE PHE 45 + HD2 ARG 49 OK 69 98 - 70 - 11682/2.9=29...(10) QD PHE 106 - HD2 ARG 49 lone 6 89 - 6 - 5590/10665=2 HZ PHE 106 - HD2 ARG 49 lone 2 77 - 3 - Peak 9828 from aliabs.peaks (7.11, 3.08, 44.13 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.71: QE PHE 45 + HD3 ARG 49 OK 66 89 - 75 - 9804/1.8=36...(10) H MET 68 + HD3 ARG 49 OK 13 98 - 13 - 6678/2.9=3, 5.9/8450=2 Peak 9829 from aliabs.peaks (6.97, 3.08, 44.13 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.46: QD PHE 38 + HD3 ARG 49 OK 39 100 - 39 - ~9781=8, ~798=7, ~807=7...(10) QE PHE 43 + HD3 ARG 49 OK 12 81 - 15 - 10665/1.8=3, 4818/5.2=3...(6) Peak 9831 from aliabs.peaks (3.54, 4.25, 44.44 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.88: HD3 PRO 52 + HA2 GLY 50 OK 88 96 - 91 - 8205/3.6=37, 8188/2.9=27...(16) HB2 PHE 45 - HA2 GLY 50 lone 4 92 - 4 - 8214/10651=2 HA2 GLY 77 - HA2 GLY 50 lone 4 62 - 6 - 10938=3, 8210/10652=1 Peak 9832 from aliabs.peaks (7.18, 4.08, 62.29 ppm; 4.87 A): 3 out of 3 assignments used, quality = 0.93: QE TYR 115 + HA VAL 53 OK 90 100 - 90 - 8237/3.2=44, 9808/3.2=34...(13) QD TYR 27 + HA VAL 53 OK 26 94 - 28 - 3.7/9810=19, 9835/3.2=4 H LYS 36 + HA VAL 53 OK 12 85 - 14 - 9835/3.2=2, 287/9810=2...(5) Peak 9833 from aliabs.peaks (7.40, 0.94, 22.18 ppm; 5.78 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9834 from aliabs.peaks (7.31, 0.94, 22.18 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.94: QD TYR 115 + QG1 VAL 53 OK 86 98 - 88 - 2.2/8237=44, ~9848=24...(15) H PHE 67 + QG1 VAL 53 OK 42 92 - 46 - 6.1/9836=14, 4.3/9838=14...(6) H ASP 30 + QG1 VAL 53 OK 24 89 - 27 - 8236/2.1=5, 6134=4...(8) Peak 9835 from aliabs.peaks (7.18, 0.94, 22.18 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.81: QE TYR 115 + QG1 VAL 53 OK 81 100 - 81 - 8237=49, 9808/2.1=25...(14) QD TYR 27 - QG1 VAL 53 poor 10 89 - 11 - 4.6/8239=5, 9832/3.2=3 H LYS 36 - QG1 VAL 53 lone 5 77 - 7 - 9832/3.2=1 Peak 9836 from aliabs.peaks (7.05, 0.94, 22.18 ppm; 3.79 A): 0 out of 1 assignment used, low quality = 0.41: QE PHE 67 - QG1 VAL 53 OK 41 99 - 42 - 2.2/9838=15...(9) Peak 9837 from aliabs.peaks (6.66, 0.94, 22.18 ppm; 5.19 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9838 from aliabs.peaks (6.83, 0.94, 22.18 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.69: QD PHE 67 + QG1 VAL 53 OK 62 100 - 62 - 2.2/9836=49...(4) HZ2 TRP 88 + QG1 VAL 53 OK 18 100 - 18 - 4598/9836=5, 5.0/4782=4...(6) Peak 9839 from aliabs.peaks (3.80, 4.08, 62.29 ppm; 4.28 A): 0 out of 2 assignments used, low quality = 0.30: HA TYR 27 - HA VAL 53 OK 17 72 - 23 - 8044/3.2=6, ~8239=5...(5) HA GLN 47 - HA VAL 53 OK 16 92 - 17 - ~8184=5, 2.9/10626=5...(6) Peak 9840 from aliabs.peaks (3.93, 4.08, 62.29 ppm; 3.67 A): 0 out of 6 assignments used, low quality = 0.14: HA LEU 29 - HA VAL 53 OK 14 77 - 19 - 4.0/1384=4, 4.0/8060=4...(6) HD2 PRO 129 - HA VAL 53 lone 5 81 - 6 - ~10379=2, ~4382=1, ~4390=1 HD3 PRO 129 - HA VAL 53 lone 4 72 - 6 - ~10379=2, ~4382=1, ~4390=1 HA LYS 86 - HA VAL 53 lone 2 68 - 3 - HA TYR 112 - HA VAL 53 lone 2 94 - 2 - HA2 GLY 143 - HA VAL 53 lone 1 81 - 1 - Peak 9843 from aliabs.peaks (2.40, 4.08, 62.29 ppm; 5.02 A): 4 out of 6 assignments used, quality = 0.99: HG2 MET 46 + HA VAL 53 OK 80 100 - 80 - 3.3/10694=20...(19) HB ILE 91 + HA VAL 53 OK 77 99 - 78 - 3.0/1385=12, 8245/3.2=11...(24) HG3 GLN 25 + HA VAL 53 OK 58 100 - 58 - 8245/3.2=13, 9811/3.0=9...(17) HB3 PRO 118 + HA VAL 53 OK 53 72 - 73 - 8245/3.2=13, 9811/3.0=8...(32) HG3 MET 59 - HA VAL 53 OK 12 100 - 12 - 3.0/9846=1, 3.4/9845=1 HG2 MET 59 - HA VAL 53 OK 11 99 - 11 - 3.0/9846=1, 3.4/9845=1 Peak 9845 from aliabs.peaks (2.01, 4.08, 62.29 ppm; 5.50 A): 5 out of 11 assignments used, quality = 0.92: HB VAL 63 + HA VAL 53 OK 68 98 - 69 - ~9867=15, 2.1/1384=11...(14) HB3 GLU 90 + HA VAL 53 OK 37 98 - 38 - 4.7/7049=8, 3.9/7038=5...(13) HB2 GLU 90 + HA VAL 53 OK 35 92 - 37 - 4.7/7049=8, 3.9/7038=5...(13) QE MET 113 + HA VAL 53 OK 28 98 - 28 - 9333/3.2=5, 9330/4503=3...(11) HB2 GLN 111 + HA VAL 53 OK 12 62 - 20 - 1.8/9846=5, ~3631=3...(7) QE MET 59 - HA VAL 53 lone 10 100 - 10 - 3.4/9843=1, 3.4/9843=1 HG3 GLU 122 - HA VAL 53 lone 9 99 - 9 - 9457/4503=1, ~6494=1, ~6493=1 QE MET 11 - HA VAL 53 lone 5 68 - 7 - 10600/1385=2 HG3 PRO 52 - HA VAL 53 lone 5 89 - 5 - HB3 GLU 37 - HA VAL 53 lone 3 62 - 5 - HB3 ARG 124 - HA VAL 53 lone 1 57 - 2 - Peak 9846 from aliabs.peaks (1.90, 4.08, 62.29 ppm; 5.18 A): 5 out of 10 assignments used, quality = 0.79: HB3 LYS 93 + HA VAL 53 OK 40 96 - 42 - 10093/3.0=12, 3033=8...(8) HB3 LEU 69 + HA VAL 53 OK 38 92 - 41 - ~9892=9, 3.2/1385=8...(11) HB3 GLN 111 + HA VAL 53 OK 18 100 - 18 - 3631/3.0=3, 1.8/9845=2...(8) HB2 GLN 62 + HA VAL 53 OK 17 100 - 17 - 8342/3.2=4, ~8343=2...(7) HB3 ARG 89 + HA VAL 53 OK 15 100 - 15 - 4.4/7038=4, ~2857=2...(5) HB3 ARG 140 - HA VAL 53 lone 10 98 - 10 - 10473/9839=2, 4.0/10626=2 HB2 MET 59 - HA VAL 53 poor 7 62 - 11 - 3.0/9843=1, 3.0/9843=1...(5) HB3 LYS 24 - HA VAL 53 lone 6 100 - 6 - HB ILE 101 - HA VAL 53 lone 5 94 - 6 - 10675/9839=1 HB3 ARG 141 - HA VAL 53 lone 3 89 - 3 - Peak 9847 from aliabs.peaks (2.42, 0.94, 22.18 ppm; 4.29 A): 4 out of 8 assignments used, quality = 0.97: QE MET 46 + QG1 VAL 53 OK 71 99 - 72 - 10492/2.1=25...(16) HB3 PRO 118 + QG1 VAL 53 OK 66 100 - 66 - 8245/2.1=8, 2.3/1393=7...(33) HB ILE 91 + QG1 VAL 53 OK 49 77 - 63 - 3.0/1395=10, ~2967=6...(18) HG2 GLN 133 + QG1 VAL 53 OK 41 100 - 41 - 3.5/9610=8, 8185=7...(13) HG3 GLN 133 - QG1 VAL 53 OK 40 100 - 41 - 3.5/9610=8, 1.8/8185=6...(12) HG2 GLN 47 - QG1 VAL 53 OK 11 94 - 12 - 8185=2, 1.8/8185=2...(4) HG3 GLN 47 - QG1 VAL 53 OK 11 94 - 12 - 8185=2, 1.8/8185=2...(4) HG2 MET 68 - QG1 VAL 53 lone 5 72 - 7 - 8417/9838=3, 1975/9836=1 Peak 9848 from aliabs.peaks (7.17, 1.03, 20.95 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.65: QE TYR 115 + QG2 VAL 53 OK 65 77 - 84 - 9808=37, 2.2/8236=26...(17) Peak 9849 from aliabs.peaks (7.04, 1.03, 20.95 ppm; 4.08 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9850 from aliabs.peaks (1.98, 0.54, 10.83 ppm; 4.45 A): 3 out of 6 assignments used, quality = 0.78: HB3 GLU 75 + QD1 ILE 58 OK 72 100 - 72 - ~8632=18, ~8643=16...(13) HB ILE 56 + QD1 ILE 58 OK 13 96 - 13 - 2.1/10135=7, 1453/10135=1 HB2 GLU 142 + QD1 ILE 58 OK 10 100 - 10 - 1.8/8290=3, 9815=2, 2227/10419=1 HB2 GLN 111 - QD1 ILE 58 lone 6 72 - 9 - 1804/8351=2, 1799/8350=1 QE MET 11 - QD1 ILE 58 lone 5 68 - 8 - HB3 ARG 124 - QD1 ILE 58 lone 2 77 - 2 - Peak 9851 from aliabs.peaks (4.21, 1.34, 16.46 ppm; 4.69 A): 2 out of 7 assignments used, quality = 0.48: HA ILE 101 + QB ALA 60 OK 39 100 - 40 - 4.1/8319=11, 3.2/8319=11...(8) HA ALA 134 + QB ALA 60 OK 14 100 - 14 - 4.9/9816=6, 9651/11586=4 HA THR 102 - QB ALA 60 lone 7 98 - 7 - 9122/11586=2...(4) HA LYS 93 - QB ALA 60 lone 4 72 - 6 - 9122/11586=1 HA PHE 45 - QB ALA 60 lone 4 92 - 4 - HA PHE 67 - QB ALA 60 lone 2 94 - 2 - HA PHE 43 - QB ALA 60 lone 1 77 - 1 - Peak 9852 from aliabs.peaks (2.26, 1.34, 16.46 ppm; 4.46 A): 3 out of 6 assignments used, quality = 0.61: HG3 GLN 62 + QB ALA 60 OK 33 100 - 33 - 4.9/8315=12, 8329/3.7=5...(6) HG2 GLN 62 + QB ALA 60 OK 32 99 - 33 - 4.9/8315=12, 8329/3.7=5...(6) HG3 PRO 129 + QB ALA 60 OK 15 96 - 16 - 2.3/1646=2, 4405/2.1=2...(10) HG3 GLU 90 - QB ALA 60 lone 7 100 - 7 - 3.0/8327=3 HG2 MET 113 - QB ALA 60 lone 3 96 - 3 - HB3 MET 113 - QB ALA 60 lone 2 68 - 3 - Peak 9853 from aliabs.peaks (2.91, 3.60, 57.58 ppm; 4.67 A): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 61 + HA LYS 61 OK 98 100 - 98 - 5.8=51, 1.8/1727=16...(41) HE2 LYS 61 + HA LYS 61 OK 97 99 - 98 - 5.8=51, 1.8/1738=16...(41) HB3 HIS 14 + HA LYS 61 OK 54 85 - 64 - 3.0/9820=12, ~11058=12...(17) Peak 9854 from aliabs.peaks (4.52, 3.60, 57.58 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.95: HA ASP 13 + HA LYS 61 OK 85 100 - 85 - 9772=39, 8006/3.0=27...(12) HA HIS 14 + HA LYS 61 OK 66 94 - 70 - 9856/3.0=15, 9855/3.0=14...(19) HA TYR 115 - HA LYS 61 OK 15 94 - 16 - 9820=5, 9817/3.0=4, 10590/8016=1 Peak 9855 from aliabs.peaks (4.52, 2.08, 30.20 ppm; 4.64 A): 3 out of 6 assignments used, quality = 0.94: HA ASP 13 + HB3 LYS 61 OK 79 96 - 82 - 9772/3.0=27, 8005/1.8=27...(11) HA HIS 14 + HB3 LYS 61 OK 71 100 - 71 - 9856/1.8=22, 9854/3.0=12...(23) HA ASP 13 + HB2 GLU 131 OK 10 84 - 12 - 8006=7, 9772/1672=2, 8005/1663=1 HA TYR 115 - HB3 LYS 61 poor 9 81 - 11 - 9820/3.0=4 HA TYR 115 - HB2 GLU 131 lone 4 68 - 6 - ~9569=1 HA HIS 14 - HB2 GLU 131 lone 4 89 - 4 - 9856/1663=1 Peak 9856 from aliabs.peaks (4.51, 1.96, 30.20 ppm; 3.97 A): 2 out of 2 assignments used, quality = 0.78: HA HIS 14 + HB2 LYS 61 OK 56 100 - 56 - 9817/1.8=12, 9820/3.0=8...(19) HA ASP 13 + HB2 LYS 61 OK 51 77 - 66 - 8005=20, 8006/1.8=16...(9) Peak 9857 from aliabs.peaks (4.52, 1.59, 28.90 ppm; 4.21 A): 4 out of 6 assignments used, quality = 0.99: HA ASP 13 + HD3 LYS 61 OK 74 96 - 77 - 8006/3.6=18, 8005/3.6=17...(14) HA ASP 13 + HD2 LYS 61 OK 74 96 - 77 - 8006/3.6=18, 8005/3.6=17...(14) HA HIS 14 + HD3 LYS 61 OK 58 100 - 58 - 9856/3.6=14, 9855/3.6=10...(24) HA HIS 14 + HD2 LYS 61 OK 57 99 - 58 - 9856/3.6=14, 9855/3.6=10...(24) HA TYR 115 - HD3 LYS 61 lone 8 81 - 10 - 9817/3.6=2, 9820/5.2=2 HA TYR 115 - HD2 LYS 61 lone 8 81 - 10 - 9817/3.6=2, 9820/5.2=2 Peak 9858 from aliabs.peaks (4.53, 2.91, 41.80 ppm; 4.67 A): 4 out of 8 assignments used, quality = 0.95: HA ASP 13 + HE3 LYS 61 OK 69 96 - 72 - 8006/4.8=16, 8005/4.8=15...(12) HA ASP 13 + HE2 LYS 61 OK 65 90 - 72 - 8006/4.8=16, 8005/4.8=15...(12) HA HIS 14 + HE3 LYS 61 OK 31 62 - 50 - 9854/5.8=6, 9855/4.8=5...(18) HA HIS 14 + HE2 LYS 61 OK 28 56 - 51 - 9854/5.8=6, 3.0/137=6...(18) HA PRO 98 - HE3 LYS 61 OK 15 62 - 25 - 2.3/1739=3, 9139/3.8=3...(12) HA TYR 115 - HE3 LYS 61 OK 15 100 - 15 - 10279/8149=4...(4) HA TYR 115 - HE2 LYS 61 OK 14 95 - 15 - 10279/8149=4, 9817/4.8=2...(4) HA PRO 98 - HE2 LYS 61 OK 14 56 - 25 - 2.3/1739=3, 9139/3.8=3...(12) Peak 9859 from aliabs.peaks (3.19, 4.71, 54.66 ppm; 5.01 A): 2 out of 8 assignments used, quality = 1.00: HD3 ARG 55 + HA ARG 55 OK 97 98 - 99 - 5.3=87, 1.8/1429=23...(23) HD2 ARG 55 + HA ARG 55 OK 85 85 - 99 - 5.3=87, 3.0/1422=23...(23) HD2 ARG 144 - HA ARG 55 OK 27 94 - 28 - 1413/2.9=4, 1436=4...(12) HD3 ARG 144 - HA ARG 55 OK 26 100 - 26 - 1.8/1429=4, 1413/2.9=4...(10) HA LEU 39 - HA ARG 55 OK 17 92 - 18 - 3.7/1402=5, ~10614=4...(6) HA VAL 73 - HA ARG 55 OK 11 89 - 12 - ~11456=7, ~6761=1, 1406=1 HD2 ARG 141 - HA ARG 55 lone 5 81 - 6 - HD3 ARG 141 - HA ARG 55 lone 4 62 - 6 - Peak 9860 from aliabs.peaks (2.73, 1.56, 26.43 ppm; 5.11 A): 0 out of 20 assignments used, low quality = 0.41: HB2 ASN 54 - HG2 ARG 55 OK 13 89 - 15 - 4.5/10609=14 HB2 ASN 54 - HG3 ARG 55 OK 13 87 - 15 - 4.5/10609=14 HB2 ASN 84 - HG2 ARG 55 OK 12 81 - 14 - 4.0/10611=11, 8851/1.8=1, 8851=1 HB2 ASN 84 - HG3 ARG 55 OK 11 80 - 14 - 4.0/10611=11, 8851/1.8=1 HG3 MET 113 - HG3 ARG 55 lone 5 71 - 7 - 9327/2392=2, 3.3/9336=1, ~9336=1 HG3 MET 113 - HG2 ARG 55 lone 5 72 - 7 - 9327/2392=2, 3.3/9336=1, ~9336=1 HB3 MET 46 - HG2 ARG 55 lone 2 81 - 2 - HB3 MET 46 - HG3 ARG 55 lone 2 80 - 2 - HB3 PHE 43 - HG2 ARG 55 lone 2 85 - 2 - HB2 ASN 96 - HG2 ARG 55 lone 2 89 - 2 - HB2 ASN 96 - HG3 ARG 55 lone 2 87 - 2 - HB3 ASP 16 - HG2 ARG 55 lone 2 92 - 2 - HB3 PHE 43 - HG3 ARG 55 lone 2 83 - 2 - HB3 ASP 16 - HG3 ARG 55 lone 2 90 - 2 - HB3 TYR 70 - HG2 ARG 55 lone 2 94 - 2 - HB3 TYR 70 - HG3 ARG 55 lone 2 93 - 2 - HB3 GLU 120 - HG2 ARG 55 lone 1 85 - 1 - HB3 GLU 120 - HG3 ARG 55 lone 1 83 - 1 - HB3 ASP 13 - HG2 ARG 55 lone 1 68 - 1 - HB3 ASP 13 - HG3 ARG 55 lone 1 66 - 1 - Peak 9861 from aliabs.peaks (1.35, 1.56, 26.43 ppm; 3.71 A): 0 out of 6 assignments used, low quality = 0.00: HD3 LYS 76 - HG2 ARG 55 lone 9 89 - 10 - 2312/1.8=1 HD3 LYS 76 - HG3 ARG 55 lone 8 87 - 10 - 2312/1.8=1 HB3 ARG 49 - HG2 ARG 55 lone 1 72 - 1 - QB ALA 60 - HG2 ARG 55 lone 1 77 - 1 - HB3 ARG 49 - HG3 ARG 55 lone 1 71 - 1 - QB ALA 60 - HG3 ARG 55 lone 1 75 - 1 - Peak 9862 from aliabs.peaks (7.14, 3.36, 49.79 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.52: QD TYR 117 + HD2 PRO 57 OK 34 99 - 35 - 10585/3.0=12...(6) QD TYR 117 + HD3 PRO 57 OK 26 78 - 34 - 10585/3.0=12...(5) HZ PHE 106 - HD2 PRO 57 lone 2 72 - 2 - HZ PHE 106 - HD3 PRO 57 lone 1 51 - 2 - Peak 9863 from aliabs.peaks (1.61, 0.57, 16.74 ppm; 4.01 A): 7 out of 9 assignments used, quality = 0.92: HB2 LEU 87 + QG2 ILE 58 OK 51 89 - 57 - ~10950=10, ~11003=7...(26) HG3 ARG 49 + QG2 ILE 58 OK 36 100 - 37 - ~10418=8, ~10417=4...(16) HD2 LYS 61 + QG2 ILE 58 OK 33 62 - 53 - 5.2/8330=18, 6.2/8295=10...(14) HB2 LEU 97 + QG2 ILE 58 OK 29 96 - 31 - 3.0/8293=14, 3.2/8272=3...(9) HG3 ARG 144 + QG2 ILE 58 OK 23 98 - 24 - 4910/4.0=7, 4.9/1561=3...(8) HG2 ARG 144 + QG2 ILE 58 OK 19 89 - 21 - 4901/4.0=5, 4.9/1561=3...(8) HG LEU 108 + QG2 ILE 58 OK 13 99 - 13 - 3.7/8280=2, 2.1/10171=2...(4) HG3 LYS 48 - QG2 ILE 58 lone 4 100 - 4 - HG2 ARG 141 - QG2 ILE 58 lone 4 98 - 4 - Peak 9864 from aliabs.peaks (2.88, 0.57, 16.74 ppm; 4.92 A): 0 out of 2 assignments used, low quality = 0.26: HB2 CYS 121 - QG2 ILE 58 OK 26 77 - 33 - 8287/3.1=23, ~8289=8...(4) HB3 ASP 32 - QG2 ILE 58 lone 3 85 - 4 - Peak 9865 from aliabs.peaks (1.23, 4.57, 54.70 ppm; 5.61 A): 3 out of 5 assignments used, quality = 0.98: HG12 ILE 58 + HA MET 59 OK 83 92 - 90 - ~6541=36, 3.2/8302=35...(14) HG12 ILE 101 + HA MET 59 OK 71 100 - 71 - 8316/4.9=14...(17) HG13 ILE 58 + HA MET 59 OK 60 68 - 89 - ~6541=36, 3.2/8302=35...(11) HB3 LEU 87 - HA MET 59 OK 20 100 - 20 - 1549/4.8=3, 10766/4.6=3...(9) HD3 LYS 123 - HA MET 59 OK 19 96 - 20 - 10567/4.6=6, 8316/4.9=4...(4) Peak 9866 from aliabs.peaks (0.63, 0.95, 20.53 ppm; 3.75 A): 0 out of 3 assignments used, low quality = 0.38: QD2 LEU 79 - QG2 VAL 63 OK 19 100 - 19 - 8737=8, 8735/2.1=3...(5) QD1 ILE 56 - QG2 VAL 63 OK 14 62 - 22 - ~10608=4, ~9871=4...(8) QD1 LEU 126 - QG2 VAL 63 OK 11 68 - 16 - 6617/4.3=4, 1837/8353=2...(6) Peak 9867 from aliabs.peaks (2.12, 0.95, 20.53 ppm; 3.34 A): 3 out of 5 assignments used, quality = 0.58: HB VAL 53 + QG2 VAL 63 OK 37 81 - 45 - 9829=13, 9872/2.1=8...(13) HB2 GLU 75 + QG2 VAL 63 OK 21 81 - 26 - 9872/2.1=5, 3.0/9830=4...(8) HG2 GLN 111 + QG2 VAL 63 OK 17 89 - 19 - 9872/2.1=4, 3.0/1804=3...(6) HB VAL 73 - QG2 VAL 63 lone 8 100 - 8 - 9872/2.1=3, ~8588=1 HG2 PRO 118 - QG2 VAL 63 lone 6 81 - 7 - 9829=2, 9872/2.1=2 Peak 9868 from aliabs.peaks (2.22, 0.95, 20.53 ppm; 3.49 A): 0 out of 2 assignments used, low quality = 0.40: HB2 GLU 28 - QG2 VAL 63 OK 25 92 - 28 - 4.0/8056=9, 8052/3.2=5...(9) HG2 GLU 28 - QG2 VAL 63 OK 20 100 - 20 - 4.9/8056=7, ~8053=3...(7) Peak 9869 from aliabs.peaks (0.66, 0.93, 21.61 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.67: QD2 LEU 64 + QG1 VAL 63 OK 61 85 - 71 - ~8353=13, 4.9/1802=10...(27) QD1 ILE 56 + QG1 VAL 63 OK 17 62 - 27 - 2.1/9871=6, ~10608=4...(8) HB3 LEU 116 - QG1 VAL 63 lone 3 89 - 3 - 10662/1799=1 Peak 9870 from aliabs.peaks (1.68, 0.93, 21.61 ppm; 3.57 A): 5 out of 12 assignments used, quality = 0.71: HG LEU 26 + QG1 VAL 63 OK 42 72 - 57 - 11455=22, ~10575=10...(12) HB2 MET 68 + QG1 VAL 63 OK 21 98 - 21 - ~10992=5, 11529/10937=5...(5) HG LEU 97 + QG1 VAL 63 OK 16 94 - 17 - 11455=7, ~10107=2...(5) HB VAL 71 + QG1 VAL 63 OK 15 81 - 18 - 3.8/1802=5, 2.1/8350=3...(5) HD3 LYS 93 + QG1 VAL 63 OK 12 77 - 16 - 1.8/11455=5, ~10956=4...(4) HG13 ILE 136 - QG1 VAL 63 poor 9 85 - 11 - 8352/2.1=2, ~10466=1 HD3 LYS 48 - QG1 VAL 63 lone 8 99 - 8 - 11455=3, ~8352=1 HG3 ARG 141 - QG1 VAL 63 lone 6 96 - 6 - 11455=2, 10505/10569=1 HD2 LYS 48 - QG1 VAL 63 lone 5 81 - 7 - 1.8/11455=2, 8352/2.1=1 HB2 ARG 145 - QG1 VAL 63 lone 5 92 - 5 - 11455=1 HB2 LEU 95 - QG1 VAL 63 lone 4 81 - 5 - ~10956=1 HG2 ARG 89 - QG1 VAL 63 lone 1 81 - 2 - Peak 9871 from aliabs.peaks (1.18, 0.93, 21.61 ppm; 3.24 A): 5 out of 5 assignments used, quality = 0.69: QD1 LEU 69 + QG1 VAL 63 OK 29 99 - 29 - 9894/2.1=7, 8356/2.1=4...(8) HB2 LEU 72 + QG1 VAL 63 OK 25 96 - 26 - 8356/2.1=5, 8353/2.1=4...(10) QG2 THR 18 + QG1 VAL 63 OK 21 92 - 22 - 10864/2.1=6, 2.1/9877=3...(8) HG12 ILE 56 + QG1 VAL 63 OK 17 81 - 21 - 2.1/9869=6, ~9866=5...(6) HG2 LYS 76 + QG1 VAL 63 OK 13 85 - 15 - 4.1/9875=2, 8356/2.1=2...(4) Peak 9872 from aliabs.peaks (2.12, 0.93, 21.61 ppm; 3.41 A): 5 out of 7 assignments used, quality = 0.74: HB3 GLN 25 + QG1 VAL 63 OK 38 62 - 61 - 2.9/8361=19, 4.4/9836=9...(16) HB VAL 53 + QG1 VAL 63 OK 32 68 - 47 - 9867/2.1=14, 2.1/1399=9...(12) HB2 GLU 75 + QG1 VAL 63 OK 18 68 - 27 - 9867/2.1=8, 3.0/9873=5...(8) HG2 GLN 111 + QG1 VAL 63 OK 16 77 - 21 - 9867/2.1=6, 3.0/1799=3...(8) HB VAL 73 + QG1 VAL 63 OK 10 98 - 11 - 9867/2.1=3, 2.1/8588=2 HG2 PRO 118 - QG1 VAL 63 lone 7 92 - 8 - 9867/2.1=2 HB3 LYS 36 - QG1 VAL 63 lone 6 68 - 9 - 4.8/10934=2, 4.8/10934=2 Peak 9873 from aliabs.peaks (2.19, 0.93, 21.61 ppm; 3.53 A): 5 out of 5 assignments used, quality = 0.82: HB3 PRO 57 + QG1 VAL 63 OK 57 100 - 58 - 9830/2.1=16, ~8363=9...(12) HG2 GLU 75 + QG1 VAL 63 OK 27 92 - 29 - 9830/2.1=6, 8632/8350=5...(9) HB2 MET 113 + QG1 VAL 63 OK 21 100 - 21 - 9830/2.1=4, 3.0/10932=3...(9) HB2 MET 46 + QG1 VAL 63 OK 15 100 - 15 - 9830/2.1=3, 4.2/10493=2...(5) HB3 LYS 86 + QG1 VAL 63 OK 14 89 - 15 - 8875=8, 9830/2.1=4, ~10956=1 Peak 9874 from aliabs.peaks (2.88, 0.95, 20.53 ppm; 4.67 A): 0 out of 2 assignments used, low quality = 0.34: HB2 CYS 121 - QG2 VAL 63 OK 34 94 - 36 - 10933/2.1=26...(3) HB3 ASP 32 - QG2 VAL 63 lone 1 62 - 2 - Peak 9875 from aliabs.peaks (4.15, 0.93, 21.61 ppm; 4.20 A): 6 out of 8 assignments used, quality = 0.70: HA GLU 131 + QG1 VAL 63 OK 21 85 - 24 - 3.0/10937=8, 3.6/9548=5...(6) HA LYS 76 + QG1 VAL 63 OK 18 100 - 18 - 4.1/9871=4, 9831/2.1=2...(10) HB3 SER 44 + QG1 VAL 63 OK 18 98 - 19 - 3.9/9832=7, ~8364=3...(4) HA PHE 38 + QG1 VAL 63 OK 18 62 - 29 - 3.0/10936=9, 4.7/9783=5...(9) HB2 SER 44 + QG1 VAL 63 OK 18 96 - 18 - 3.9/9832=7, ~8364=3...(4) HA LEU 126 + QG1 VAL 63 OK 15 98 - 16 - 4271/9869=3, 10251/2.1=3...(5) HA GLU 120 - QG1 VAL 63 lone 5 85 - 6 - 4.9/10935=2 HA3 GLY 125 - QG1 VAL 63 lone 2 100 - 2 - Peak 9876 from aliabs.peaks (4.36, 0.93, 21.61 ppm; 4.19 A): 3 out of 6 assignments used, quality = 0.82: HA ASP 65 + QG1 VAL 63 OK 72 98 - 73 - 8387/2.1=29...(13) HB THR 51 + QG1 VAL 63 OK 21 100 - 21 - 10867/2.1=8, ~8228=2...(7) HA ILE 56 + QG1 VAL 63 OK 19 62 - 31 - 3.8/10936=9, 4.8/11303=7...(6) HA TYR 70 - QG1 VAL 63 poor 10 77 - 13 - 3.6/1802=7, 9932/9871=2 HA ARG 144 - QG1 VAL 63 lone 5 85 - 6 - 10867/2.1=2, 1862/10937=1 HA3 GLY 77 - QG1 VAL 63 lone 2 77 - 3 - 10867/2.1=1 Peak 9877 from aliabs.peaks (4.43, 0.93, 21.61 ppm; 3.85 A): 4 out of 5 assignments used, quality = 0.95: HA ILE 58 + QG1 VAL 63 OK 82 98 - 83 - 4.1/8350=23, 8270=23...(15) HA PRO 57 + QG1 VAL 63 OK 44 68 - 65 - 8363/2.1=18, 2.3/9873=16...(12) HA ASP 40 + QG1 VAL 63 OK 36 98 - 36 - 8363/2.1=7, 11303=6...(12) HB THR 18 + QG1 VAL 63 OK 31 98 - 31 - 2.1/9871=8, ~10864=8...(7) HA ASN 84 - QG1 VAL 63 OK 28 99 - 29 - 8364/3.2=6, 8362/2.1=5...(10) Peak 9878 from aliabs.peaks (0.78, 4.18, 53.78 ppm; 4.51 A): 5 out of 5 assignments used, quality = 0.83: QD1 LEU 108 + HA LEU 64 OK 54 77 - 70 - 2.1/9266=21, 10168=7...(23) QG2 VAL 73 + HA LEU 64 OK 32 99 - 32 - 2.1/8567=6, 3.9/8572=6...(6) QD1 LEU 72 + HA LEU 64 OK 26 94 - 28 - 10168=4, ~8536=2...(11) QD2 LEU 72 + HA LEU 64 OK 15 68 - 22 - 2.1/10168=4, ~8536=2...(8) QD1 ILE 136 + HA LEU 64 OK 14 100 - 14 - 9685/1813=1, 9685/8509=1 Peak 9879 from aliabs.peaks (1.79, 0.65, 25.42 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.90: HG2 PRO 57 + QD2 LEU 64 OK 71 96 - 74 - 8267=28, 11016/2.1=12...(18) HD2 LYS 34 + QD2 LEU 64 OK 42 100 - 43 - 2.9/1843=5, 11011=5...(16) HD3 LYS 34 + QD2 LEU 64 OK 41 94 - 43 - 11011=7, 2.9/1843=5...(17) HG LEU 72 - QD2 LEU 64 poor 9 85 - 10 - 11011=2 HB3 LEU 72 - QD2 LEU 64 poor 8 62 - 12 - 3.0/11011=1, ~8536=1 HD3 LYS 86 - QD2 LEU 64 lone 7 94 - 8 - 3.0/10625=1 HB3 ARG 145 - QD2 LEU 64 lone 4 100 - 4 - HB3 ARG 55 - QD2 LEU 64 lone 3 81 - 3 - Peak 9880 from aliabs.peaks (1.99, 0.65, 25.42 ppm; 3.49 A): 4 out of 10 assignments used, quality = 0.94: HB ILE 56 + QD2 LEU 64 OK 70 100 - 70 - 3.0/10916=13, 11013=13...(23) HB2 GLN 111 + QD2 LEU 64 OK 52 98 - 53 - 1.8/11014=15...(11) HB VAL 63 + QD2 LEU 64 OK 42 62 - 67 - 2.1/9869=18, ~8353=12...(23) HB3 ARG 124 + QD2 LEU 64 OK 34 99 - 34 - 11013=8, 3.0/11071=5...(10) HB3 GLU 75 - QD2 LEU 64 OK 26 81 - 32 - 1.8/8373=5, ~8629=4...(11) QE MET 113 - QD2 LEU 64 OK 15 62 - 23 - 10662=6, 6.2/9317=3...(7) QE MET 11 - QD2 LEU 64 OK 12 96 - 13 - 10534/8373=1 HG3 PRO 52 - QD2 LEU 64 lone 8 81 - 10 - 3647/8372=1 HB2 GLU 142 - QD2 LEU 64 lone 6 96 - 6 - HB3 GLU 90 - QD2 LEU 64 lone 3 62 - 4 - Peak 9881 from aliabs.peaks (3.07, 0.87, 22.38 ppm; 4.72 A): 4 out of 9 assignments used, quality = 0.80: HB3 TRP 88 + QD1 LEU 64 OK 59 100 - 59 - ~10068=11, 3.0/1849=11...(14) HD3 ARG 49 + QD1 LEU 64 OK 25 98 - 26 - 1297/3.2=3, 3.0/1851=3...(12) HE3 LYS 34 + QD1 LEU 64 OK 23 62 - 36 - 3.7/10626=10, 3.7/1851=7...(10) HA2 GLY 78 + QD1 LEU 64 OK 16 96 - 16 - 8704/2.1=5, ~8711=4...(4) HE2 LYS 86 - QD1 LEU 64 lone 7 89 - 8 - 7.1/8869=2, ~9879=1 HE3 LYS 86 - QD1 LEU 64 lone 6 85 - 8 - 7.1/8869=2, ~9879=1 HB2 TYR 27 - QD1 LEU 64 lone 3 68 - 4 - ~9884=2 HB3 HIS 10 - QD1 LEU 64 lone 2 81 - 2 - HB3 ASP 30 - QD1 LEU 64 lone 1 100 - 1 - Peak 9882 from aliabs.peaks (4.02, 0.65, 25.42 ppm; 4.89 A): 2 out of 9 assignments used, quality = 0.95: HA VAL 63 + QD2 LEU 64 OK 85 100 - 85 - 3.2/9869=24, 3.6/9845=19...(25) HB THR 107 + QD2 LEU 64 OK 68 96 - 70 - 10164/2.1=22...(13) HA LEU 69 - QD2 LEU 64 OK 37 68 - 55 - 4.1/11376=15...(6) HA LYS 123 - QD2 LEU 64 OK 25 92 - 27 - 9840=5, 4.7/10916=3...(10) HA GLU 122 - QD2 LEU 64 OK 16 85 - 19 - 3.0/9847=3, 4.9/1841=2...(6) HA GLU 81 - QD2 LEU 64 OK 16 94 - 17 - 2.9/9848=3, 9840=3...(5) HA GLU 37 - QD2 LEU 64 OK 13 99 - 13 - 4.9/1841=3, 9840=2, 6609/4.9=2 HB3 SER 100 - QD2 LEU 64 poor 10 85 - 12 - 9840=2, 3461/10916=1 HB2 SER 103 - QD2 LEU 64 lone 8 85 - 9 - 9840=2, 10153/9880=1 Peak 9883 from aliabs.peaks (7.31, 0.65, 25.42 ppm; 4.71 A): 3 out of 3 assignments used, quality = 0.85: QD TYR 115 + QD2 LEU 64 OK 57 100 - 57 - 2.2/9884=26, 9848=16...(14) H ASP 30 + QD2 LEU 64 OK 53 98 - 54 - 4.2/10623=20, 9848=18...(7) H PHE 67 + QD2 LEU 64 OK 26 99 - 26 - 3.6/11154=7, 4.6/9847=6...(6) Peak 9884 from aliabs.peaks (7.18, 0.65, 25.42 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.66: QE TYR 115 + QD2 LEU 64 OK 57 92 - 63 - 10282=26, 2.2/9883=15...(17) H LYS 36 + QD2 LEU 64 OK 21 100 - 21 - 4.6/9848=5...(8) QD TYR 27 - QD2 LEU 64 lone 6 100 - 6 - 10243/10181=1 Peak 9885 from aliabs.peaks (0.61, 4.36, 52.38 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.51: QD1 LEU 66 + HA ASP 65 OK 51 77 - 66 - 4.5/1860=28, 2.1/8388=18...(12) QD1 LEU 132 - HA ASP 65 poor 10 77 - 13 - 8474/8386=4...(5) Peak 9886 from aliabs.peaks (0.81, 4.36, 52.38 ppm; 5.15 A): 5 out of 6 assignments used, quality = 0.80: QD2 LEU 126 + HA ASP 65 OK 32 99 - 32 - 11441/3.6=9, ~6626=8...(6) QD2 LEU 95 + HA ASP 65 OK 31 68 - 46 - 8382/3.0=10, 9853/3.0=10...(11) QD1 LEU 79 + HA ASP 65 OK 29 77 - 37 - 9853/3.0=10, 8382/3.0=8...(6) QG1 VAL 80 + HA ASP 65 OK 27 99 - 27 - 11441/3.6=5, ~9887=4...(10) QG2 THR 74 + HA ASP 65 OK 20 81 - 24 - 9853/3.0=6, 8382/3.0=5...(6) HG LEU 42 - HA ASP 65 lone 6 62 - 9 - 11417/3.0=3, ~6627=2 Peak 9887 from aliabs.peaks (1.83, 3.04, 38.87 ppm; 5.35 A): 5 out of 7 assignments used, quality = 0.94: HB3 MET 68 + HB3 ASP 65 OK 84 99 - 85 - ~11529=39, 11481/1.8=35...(12) HB VAL 80 + HB3 ASP 65 OK 32 100 - 32 - 2.1/8384=7, ~8382=6...(7) HB2 ARG 141 + HB3 ASP 65 OK 27 100 - 27 - 11481/1.8=8, 11480=5...(8) HD3 LYS 36 + HB3 ASP 65 OK 15 98 - 16 - 10800/8051=5, ~8385=3...(4) HB2 LYS 24 + HB3 ASP 65 OK 14 81 - 17 - 3.0/10901=9, 3.0/10869=3...(4) HB2 MET 11 - HB3 ASP 65 lone 6 85 - 7 - HB2 ARG 124 - HB3 ASP 65 lone 4 62 - 7 - 11444/1.8=1, 3.0/11445=1 Peak 9888 from aliabs.peaks (7.68, 4.36, 52.38 ppm; 4.30 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9889 from aliabs.peaks (1.02, 0.60, 21.23 ppm; 2.83 A): 4 out of 4 assignments used, quality = 0.84: QD1 LEU 116 + QD1 LEU 66 OK 54 85 - 63 - 2.1/9856=11, 9856=10...(26) QD2 LEU 69 + QD1 LEU 66 OK 47 99 - 47 - 9856=13, 2.1/8474=10...(14) HG12 ILE 136 + QD1 LEU 66 OK 28 68 - 41 - 9856=8, 2.3/9892=8...(12) QG2 VAL 53 + QD1 LEU 66 OK 10 77 - 13 - 9862/2.1=5, 9808/9903=2 Peak 9890 from aliabs.peaks (1.91, 0.60, 21.23 ppm; 3.97 A): 7 out of 10 assignments used, quality = 0.89: HB3 LEU 69 + QD1 LEU 66 OK 55 99 - 55 - 3.2/8474=15, 4.6/9906=14...(10) QE MET 68 + QD1 LEU 66 OK 35 96 - 36 - 8425=8, 3.3/8434=4...(15) HB ILE 101 + QD1 LEU 66 OK 27 98 - 28 - 2.1/9892=7, 3.2/9892=5...(5) HB3 ARG 89 + QD1 LEU 66 OK 16 89 - 18 - 2871/2.1=2, 2.8/1910=2...(6) HB2 LYS 86 + QD1 LEU 66 OK 15 72 - 21 - 2.9/1909=2, 2686/3.1=2...(10) HG3 PRO 12 + QD1 LEU 66 OK 15 68 - 23 - 2.3/1910=4, ~1918=2...(9) HB2 MET 59 + QD1 LEU 66 OK 14 100 - 14 - 3.9/6538=2, 4.8/8320=2 HB2 GLN 62 - QD1 LEU 66 lone 8 77 - 10 - 4.0/8337=3, 8347=1 HB3 LYS 24 - QD1 LEU 66 lone 6 81 - 8 - 3.0/9865=1 HB3 GLN 111 - QD1 LEU 66 lone 6 81 - 8 - 1881/4.0=1 Peak 9891 from aliabs.peaks (1.16, 0.60, 21.23 ppm; 3.33 A): 3 out of 3 assignments used, quality = 0.71: HG2 LYS 76 + QD1 LEU 66 OK 40 99 - 40 - 9899/2.1=5, 3.0/1909=5...(16) QG2 THR 92 + QD1 LEU 66 OK 32 99 - 32 - 10096/2.1=7, 9857=6...(8) HG LEU 64 + QD1 LEU 66 OK 28 77 - 37 - 9857=24, 2.1/9864=4...(7) Peak 9892 from aliabs.peaks (0.89, 0.60, 21.23 ppm; 3.25 A): 5 out of 5 assignments used, quality = 0.88: QG2 ILE 136 + QD1 LEU 66 OK 56 99 - 57 - 9683=13, 9901/2.1=10...(19) QG2 ILE 56 + QD1 LEU 66 OK 40 100 - 40 - 9864=9, 9901/2.1=7...(11) QG2 ILE 101 + QD1 LEU 66 OK 27 100 - 27 - 9901/2.1=5, 9864=3...(7) QD1 ILE 101 + QD1 LEU 66 OK 24 99 - 25 - 9901/2.1=5, 3.2/9890=3...(8) QD1 LEU 97 + QD1 LEU 66 OK 20 98 - 21 - 9864=3, 9901/2.1=3...(6) Peak 9893 from aliabs.peaks (0.36, 0.60, 21.23 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.72: QD2 LEU 42 + QD1 LEU 66 OK 64 92 - 69 - 9859=28, 8405/2.1=25...(20) QD1 ILE 91 + QD1 LEU 66 OK 23 62 - 38 - ~9862=9, 9859=8...(12) Peak 9894 from aliabs.peaks (2.11, 0.59, 20.28 ppm; 4.41 A): 4 out of 7 assignments used, quality = 0.64: HB VAL 73 + QG1 VAL 71 OK 37 77 - 48 - 4.0/9940=19, 2.1/8515=8...(15) HG2 PRO 118 + QG1 VAL 71 OK 22 100 - 22 - 2.3/8508=4, 2.3/8514=2...(8) HB3 LYS 36 + QG1 VAL 71 OK 18 94 - 19 - 10517/8510=6, 3.0/8508=3...(5) HG2 PRO 33 + QG1 VAL 71 OK 12 89 - 13 - 2.3/9913=4, ~8433=3, ~9793=1 HB3 GLN 25 - QG1 VAL 71 lone 7 92 - 7 - 4.4/9907=3, 1.8/8513=1 HB3 GLU 142 - QG1 VAL 71 lone 5 77 - 7 - 3.0/8512=2, 4847/8638=1 HG2 GLU 122 - QG1 VAL 71 lone 1 62 - 2 - Peak 9895 from aliabs.peaks (1.80, 0.59, 20.28 ppm; 3.80 A): 2 out of 8 assignments used, quality = 0.93: HB3 LEU 72 + QG1 VAL 71 OK 84 92 - 91 - 3.4/2103=26, ~2097=15...(31) HG2 PRO 57 + QG1 VAL 71 OK 56 100 - 56 - 10592=12, 2.3/8513=10...(18) HB3 ARG 145 - QG1 VAL 71 OK 22 89 - 25 - 1.8/2100=3, ~8505=3...(11) HD3 LYS 34 - QG1 VAL 71 OK 16 100 - 16 - 8099/8528=3, 6747/4.2=2...(5) HB2 ARG 124 - QG1 VAL 71 OK 15 81 - 19 - 8495/4.0=2, 4208/2.1=2...(7) HD2 LYS 34 - QG1 VAL 71 OK 15 94 - 16 - 8099/8528=4, 8495/4.0=2...(5) HD3 LYS 86 - QG1 VAL 71 OK 13 100 - 13 - 3.5/8513=2, 3.5/8514=2 HB2 LYS 24 - QG1 VAL 71 lone 5 62 - 9 - 8520/2.1=2, 9902/4.0=2 Peak 9896 from aliabs.peaks (0.99, 0.59, 20.28 ppm; 5.38 A): 3 out of 3 assignments used, quality = 0.90: HG12 ILE 136 + QG1 VAL 71 OK 69 77 - 89 - 2.1/9685=17, 8517/2.1=17...(29) HB2 LEU 39 + QG1 VAL 71 OK 50 85 - 58 - 4.3/2103=11, 8494/4.0=10...(16) QD1 LEU 29 + QG1 VAL 71 OK 33 77 - 43 - 8071/4.2=16, 8517/2.1=6...(12) Peak 9897 from aliabs.peaks (2.71, 0.60, 21.23 ppm; 4.21 A): 0 out of 5 assignments used, low quality = 0.27: HB3 CYS 121 - QD1 LEU 66 OK 15 100 - 15 - 8404/2.1=7, 4056/4.5=3 HB2 ASP 137 - QD1 LEU 66 OK 14 68 - 21 - 8404/2.1=7, ~9703=3...(6) HB3 ASP 13 - QD1 LEU 66 lone 6 77 - 8 - 9858=2 HB3 MET 46 - QD1 LEU 66 lone 6 62 - 9 - 9374/9393=3, 8404/2.1=2 HB2 ASN 84 - QD1 LEU 66 lone 5 62 - 9 - 8404/2.1=4, 10538/9628=2 Peak 9898 from aliabs.peaks (2.98, 0.60, 21.23 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.67: HA VAL 71 + QD1 LEU 66 OK 60 96 - 63 - 2081=10, 8403/2.1=8...(22) HB3 TYR 27 + QD1 LEU 66 OK 16 98 - 16 - 2.6/9903=4, ~9907=2...(6) HB2 ASP 30 - QD1 LEU 66 lone 6 100 - 6 - 3.8/1913=3 HB2 HIS 14 - QD1 LEU 66 lone 3 100 - 3 - Peak 9899 from aliabs.peaks (1.17, 0.69, 24.82 ppm; 3.72 A): 5 out of 6 assignments used, quality = 0.81: QD1 LEU 69 + QD2 LEU 66 OK 45 94 - 47 - 8474/2.1=18, ~9889=9...(14) HG2 LYS 76 + QD2 LEU 66 OK 41 94 - 44 - 9891/2.1=10, 11467/2.1=5...(16) HG12 ILE 56 + QD2 LEU 66 OK 24 68 - 35 - 9863=9, 1.8/9863=7...(7) QG2 THR 92 + QD2 LEU 66 OK 15 62 - 24 - 9891/2.1=8, 10096/2.1=4...(5) HB2 LEU 72 + QD2 LEU 66 OK 10 89 - 12 - ~9947=3, ~6743=3, 8537/8405=1 QG2 THR 18 - QD2 LEU 66 lone 4 81 - 5 - 9857/2.1=3, 3.2/8400=1 Peak 9900 from aliabs.peaks (1.06, 0.69, 24.82 ppm; 3.33 A): 4 out of 4 assignments used, quality = 0.92: HB2 LEU 116 + QD2 LEU 66 OK 57 96 - 59 - ~9393=5, 3.2/3897=5...(27) HG2 ARG 35 + QD2 LEU 66 OK 51 98 - 53 - 11466/2.1=12, 10910=7...(17) HG3 LYS 114 + QD2 LEU 66 OK 41 94 - 43 - 9862=20, 2.9/1917=3...(14) HG13 ILE 91 + QD2 LEU 66 OK 36 100 - 37 - 9862=16, 2.1/8405=7...(5) Peak 9901 from aliabs.peaks (0.89, 0.69, 24.82 ppm; 3.45 A): 5 out of 5 assignments used, quality = 0.90: QG2 ILE 136 + QD2 LEU 66 OK 59 99 - 60 - 9861=13, 9892/2.1=12...(22) QG2 ILE 56 + QD2 LEU 66 OK 42 100 - 42 - 9892/2.1=8, 4.2/8402=8...(9) QG2 ILE 101 + QD2 LEU 66 OK 28 100 - 28 - 9861=6, 9892/2.1=6...(8) QD1 ILE 101 + QD2 LEU 66 OK 27 99 - 27 - 9861=6, 9892/2.1=5...(9) QD1 LEU 97 + QD2 LEU 66 OK 19 98 - 19 - 9892/2.1=4, 9861=4...(4) Peak 9902 from aliabs.peaks (7.32, 0.60, 21.23 ppm; 4.12 A): 3 out of 4 assignments used, quality = 0.96: QD TYR 115 + QD1 LEU 66 OK 80 96 - 83 - 2.2/9903=22, 4750/2.1=17...(18) H PHE 67 + QD1 LEU 66 OK 70 89 - 79 - 1913=25, 1921/2.1=17...(21) H GLU 81 + QD1 LEU 66 OK 37 62 - 60 - 3.4/1906=12, 11523/2.1=9...(22) H ASP 30 - QD1 LEU 66 OK 14 85 - 16 - 1921/2.1=2, 3.8/9898=2...(4) Peak 9903 from aliabs.peaks (7.17, 0.60, 21.23 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.88: QE TYR 115 + QD1 LEU 66 OK 82 99 - 83 - 9907/2.1=24, 2.2/1913=18...(21) H LYS 36 + QD1 LEU 66 OK 18 62 - 29 - 4.3/9865=8, 4.3/1910=5...(9) QD TYR 27 + QD1 LEU 66 OK 16 77 - 21 - 2.6/9898=7, 9907/2.1=4...(6) Peak 9904 from aliabs.peaks (6.96, 0.60, 21.23 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.68: QD PHE 38 + QD1 LEU 66 OK 68 81 - 83 - 2.6/8521=42...(11) Peak 9905 from aliabs.peaks (7.68, 0.60, 21.23 ppm; 3.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9906 from aliabs.peaks (7.51, 0.60, 21.23 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.77: H TYR 70 + QD1 LEU 66 OK 77 98 - 78 - 8393/4.0=23, 8482=17...(17) Peak 9907 from aliabs.peaks (7.17, 0.69, 24.82 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.87: QE TYR 115 + QD2 LEU 66 OK 85 94 - 90 - 9903/2.1=32, 11522=24...(22) QD TYR 27 + QD2 LEU 66 OK 15 62 - 24 - 9903/2.1=6, ~9898=6...(6) Peak 9908 from aliabs.peaks (7.04, 0.69, 24.82 ppm; 5.31 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9909 from aliabs.peaks (6.79, 0.69, 24.82 ppm; 5.61 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9910 from aliabs.peaks (7.33, 0.69, 24.82 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.82: H GLU 81 + QD2 LEU 66 OK 78 100 - 78 - 11523=32, 3.4/1914=11...(23) QD PHE 43 + QD2 LEU 66 OK 17 72 - 23 - 2.2/11221=6, ~4820=4...(7) Peak 9911 from aliabs.peaks (6.98, 4.20, 58.65 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.84: QD PHE 38 + HA PHE 67 OK 79 99 - 80 - 2.2/8396=42, 9867/2.8=26...(7) QE PHE 43 + HA PHE 67 OK 21 94 - 22 - 5600/5.6=4, 2.2/11211=4...(8) Peak 9913 from aliabs.peaks (0.58, 2.43, 31.81 ppm; 5.15 A): 2 out of 6 assignments used, quality = 0.88: QG1 VAL 71 + HG2 MET 68 OK 84 85 - 99 - 8438/3.7=39, 8425/3.3=36...(30) QG1 VAL 71 + HB3 PRO 33 OK 20 80 - 25 - 2.1/8433=5, 9894/2.3=4...(8) QG1 VAL 71 - HG2 MET 11 poor 5 46 - 12 - 8438/1953=2, 8425/1995=2...(4) QG2 ILE 58 - HG2 MET 68 lone 5 62 - 8 - 8438/3.7=2, 8425/3.3=2 QG2 ILE 58 - HB3 PRO 33 lone 5 58 - 8 - ~8290=3, ~8282=2, 10427/458=1 QG2 ILE 58 - HG2 MET 11 lone 1 31 - 3 - Peak 9914 from aliabs.peaks (1.17, 2.54, 31.81 ppm; 5.06 A): 3 out of 5 assignments used, quality = 0.94: HB2 LEU 72 + HG3 MET 68 OK 79 81 - 97 - 3.1/9912=41, 3.2/8427=14...(47) QD1 LEU 69 + HG3 MET 68 OK 60 89 - 67 - 4.7/6688=17, 8423/3.3=9...(26) HG2 LYS 76 + HG3 MET 68 OK 30 98 - 30 - 5.1/8415=6, 8423/3.3=6...(9) QG2 THR 92 - HG3 MET 68 OK 24 72 - 32 - 8423/3.3=6, ~8451=6...(10) QG2 THR 18 - HG3 MET 68 lone 3 72 - 4 - Peak 9915 from aliabs.peaks (0.96, 2.43, 31.81 ppm; 5.10 A): 11 out of 15 assignments used, quality = 0.93: QD1 LEU 29 + HG2 MET 68 OK 37 72 - 51 - 11531/1.8=21...(10) QG2 VAL 63 + HG2 MET 68 OK 31 81 - 38 - 10992/1.8=18, 11478=10...(5) QG2 THR 51 + HG2 MET 68 OK 28 99 - 28 - 10992/1.8=12...(5) QG2 VAL 63 + HB3 PRO 33 OK 25 77 - 32 - 11478=6, ~8363=6...(8) HG3 ARG 35 + HB3 PRO 33 OK 21 97 - 22 - ~10992=10, ~10606=5, 4.5/8418=5 QG2 THR 51 + HB3 PRO 33 OK 21 95 - 22 - 8228/2.3=8, 10460/1.8=6...(4) QD1 LEU 29 + HB3 PRO 33 OK 19 68 - 29 - ~9777=5, ~9792=5...(7) HG3 ARG 35 + HG2 MET 68 OK 16 100 - 16 - 10992/1.8=8, 8442/4.4=4 QD1 LEU 29 + HG2 MET 11 OK 16 37 - 42 - 10601/3.3=16, ~10532=10...(6) QG2 VAL 63 + HG2 MET 11 OK 13 43 - 29 - 8366/3.9=7, ~8361=6...(12) HB2 LEU 39 + HB3 PRO 33 OK 10 58 - 18 - ~8120=5, ~8120=5...(6) HB2 LEU 39 - HG2 MET 68 poor 8 62 - 12 - 8442/4.4=8, 8407/8418=1 HG3 ARG 35 - HG2 MET 11 poor 7 61 - 12 - 10601/3.3=5, ~10600=4, ~10919=1 QG2 THR 51 - HG2 MET 11 poor 6 59 - 11 - 10601/3.3=6 HB2 LEU 39 - HG2 MET 11 lone 1 31 - 4 - 10601/3.3=2 Peak 9916 from aliabs.peaks (1.18, 2.43, 31.81 ppm; 5.93 A): 2 out of 18 assignments used, quality = 1.00: HB2 LEU 72 + HG2 MET 68 OK 98 99 - 99 - ~9912=38, ~9945=29...(49) QD1 LEU 69 + HG2 MET 68 OK 77 100 - 78 - 4.7/1982=16, 8423/3.3=13...(27) HB2 LEU 72 - HG2 MET 11 OK 31 59 - 53 - 3.2/9952=5, 2119/3.0=5...(26) HG12 ILE 56 - HG2 MET 11 OK 27 49 - 55 - ~9186=11, ~41=6, ~1480=5...(18) HB3 LEU 108 - HG2 MET 68 OK 25 68 - 38 - 1.8/11478=11, ~9945=8...(9) QD1 LEU 69 - HB3 PRO 33 OK 19 97 - 20 - 4.7/1982=5, 9892/2.3=3...(6) HG2 LYS 76 - HG2 MET 68 OK 18 77 - 23 - 9914/1.8=6, 8423/3.3=5...(6) HB2 LEU 72 - HB3 PRO 33 OK 18 95 - 18 - 3.2/9952=2, 3.1/9944=2...(5) HB3 LEU 108 - HG2 MET 11 poor 10 34 - 28 - ~10592=16, ~10598=3...(7) QG2 THR 18 - HG2 MET 68 lone 6 96 - 7 - 10858/1975=1 HG12 ILE 56 - HG2 MET 68 lone 6 89 - 7 - ~10597=2 QD1 LEU 69 - HG2 MET 11 lone 6 61 - 9 - 4.7/6687=2 HG2 LYS 76 - HB3 PRO 33 lone 5 72 - 6 - HB3 LEU 108 - HB3 PRO 33 lone 4 63 - 6 - 1.8/11478=1 HG12 ILE 56 - HB3 PRO 33 lone 3 84 - 3 - QG2 THR 18 - HB3 PRO 33 lone 2 92 - 3 - HG2 LYS 76 - HG2 MET 11 lone 2 40 - 4 - QG2 THR 18 - HG2 MET 11 lone 2 56 - 3 - Peak 9918 from aliabs.peaks (8.58, 3.86, 55.29 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.87: H LEU 72 + HA MET 68 OK 78 81 - 96 - 3.4/1957=33, 4.3/8439=32...(35) H ASP 40 + HA MET 68 OK 40 85 - 46 - 9874=12, 6287/3.6=11...(10) Peak 9919 from aliabs.peaks (9.20, 1.02, 26.03 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.74: H TYR 112 + QD2 LEU 69 OK 74 89 - 83 - 4.5/8459=26, ~11536=18...(20) Peak 9920 from aliabs.peaks (7.32, 4.01, 58.18 ppm; 5.38 A): 5 out of 6 assignments used, quality = 0.63: H PHE 67 + HA LEU 69 OK 30 62 - 48 - 6681/2.9=21...(5) H GLU 81 + HA GLU 122 OK 18 76 - 23 - 4.4/10963=6, 6881/3.0=3...(7) H GLU 81 + HA LEU 69 OK 17 89 - 20 - 4.4/10963=7, 4.7/2009=3...(5) QD TYR 115 + HA LEU 69 OK 13 77 - 16 - 4.8/9382=5, 4.5/7419=3 QD TYR 115 + HA GLU 122 OK 11 65 - 17 - ~9351=4, ~4748=2...(4) H PHE 67 - HA GLU 122 poor 9 51 - 17 - ~7509=4, 6646/3.0=3...(6) Peak 9921 from aliabs.peaks (7.13, 4.01, 58.18 ppm; 5.01 A): 5 out of 8 assignments used, quality = 0.78: QD PHE 106 + HA GLU 122 OK 41 91 - 45 - 9444/3.9=17, 9445/3.9=16...(6) QE PHE 45 + HA GLU 122 OK 41 56 - 73 - 9446/3.0=25, ~10246=16...(8) HZ PHE 106 + HA GLU 122 OK 17 89 - 19 - 9445/3.9=7, 9444/3.9=6...(4) QD TYR 117 + HA LEU 69 OK 13 77 - 17 - 2.7/9413=3, 4.5/9387=3...(6) QD TYR 117 + HA GLU 122 OK 12 65 - 19 - 9444/3.9=7, 9445/3.9=5...(6) QD PHE 106 - HA LEU 69 lone 10 100 - 10 - ~6681=1 HZ PHE 106 - HA LEU 69 lone 4 100 - 4 - ~6681=1 QE PHE 45 - HA LEU 69 lone 4 68 - 5 - 9446/4066=1 Peak 9922 from aliabs.peaks (8.02, 1.18, 23.77 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.65: H VAL 73 + QD1 LEU 69 OK 65 81 - 79 - 3.0/8461=17, 3.9/8595=14...(24) Peak 9923 from aliabs.peaks (7.51, 1.18, 23.77 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.86: H TYR 70 + QD1 LEU 69 OK 86 98 - 88 - 6709/2.1=25, 2.9/9932=22...(21) Peak 9926 from aliabs.peaks (7.52, 1.02, 26.03 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.77: H TYR 70 + QD2 LEU 69 OK 77 77 - 100 - 4.8=100 Peak 9927 from aliabs.peaks (6.84, 1.02, 26.03 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.74: HZ2 TRP 88 + QD2 LEU 69 OK 64 99 - 65 - ~9888=27, 9886=17...(13) QD PHE 67 + QD2 LEU 69 OK 27 99 - 28 - 3.7/8412=10, 9886=10...(7) Peak 9928 from aliabs.peaks (3.71, 1.18, 23.77 ppm; 4.19 A): 4 out of 4 assignments used, quality = 0.89: HA ILE 91 + QD1 LEU 69 OK 70 98 - 72 - 2.9/9883=28, 3.2/9894=19...(15) HA ILE 136 + QD1 LEU 69 OK 39 100 - 39 - 3.7/9934=5, 4.2/8473=4...(17) HB THR 74 + QD1 LEU 69 OK 27 94 - 28 - 8605/11376=6, 4.7/8625=4...(11) HA THR 107 + QD1 LEU 69 OK 20 99 - 20 - 9241/2.1=6, 3502/8473=2...(6) Peak 9929 from aliabs.peaks (3.23, 1.18, 23.77 ppm; 4.47 A): 6 out of 6 assignments used, quality = 0.83: HG3 MET 46 + QD1 LEU 69 OK 39 81 - 48 - 5.1/9876=13...(10) HD2 ARG 140 + QD1 LEU 69 OK 29 89 - 32 - 8463/2.1=5...(8) HD3 ARG 140 + QD1 LEU 69 OK 27 89 - 30 - 8463/2.1=4, ~8463=4...(8) HD3 ARG 89 + QD1 LEU 69 OK 23 89 - 26 - 3.0/9893=6, 5.5/8947=5...(8) HB3 TYR 117 + QD1 LEU 69 OK 17 85 - 20 - 9407/8457=6, 8463/2.1=5...(6) HD3 ARG 124 + QD1 LEU 69 OK 17 100 - 17 - 10255/11376=5...(4) Peak 9930 from aliabs.peaks (2.42, 1.18, 23.77 ppm; 4.68 A): 4 out of 8 assignments used, quality = 0.93: HB ILE 91 + QD1 LEU 69 OK 60 81 - 74 - 4.0/9883=28, 3.2/9935=26...(9) QE MET 46 + QD1 LEU 69 OK 59 98 - 61 - 5.9/9876=12...(17) HG2 MET 68 + QD1 LEU 69 OK 40 68 - 59 - 3.3/8423=10, 1.8/9914=9...(19) HB3 PRO 118 + QD1 LEU 69 OK 31 100 - 31 - 2.3/9892=7, 3.0/8465=5...(7) HG3 GLN 133 - QD1 LEU 69 OK 24 100 - 24 - 2.9/9931=4, 4.0/8465=4...(6) HG2 GLN 133 - QD1 LEU 69 OK 24 99 - 24 - 2.9/9931=4, 4.0/8465=4...(6) HG2 GLN 47 - QD1 LEU 69 OK 19 92 - 21 - 4.9/9884=5, 3.6/8465=3...(6) HG3 GLN 47 - QD1 LEU 69 OK 19 92 - 21 - 4.9/9884=5, 3.6/8465=3...(6) Peak 9931 from aliabs.peaks (2.13, 1.18, 23.77 ppm; 4.14 A): 7 out of 7 assignments used, quality = 0.93: HB VAL 73 + QD1 LEU 69 OK 53 68 - 79 - 4.0/9922=21, 2.1/8595=17...(24) HB VAL 53 + QD1 LEU 69 OK 42 98 - 43 - 9892=18, 1390/2.1=6...(10) HB2 GLU 75 + QD1 LEU 69 OK 33 98 - 33 - 4.4/6814=6, 3.9/8625=4...(16) HG2 GLN 111 + QD1 LEU 69 OK 24 94 - 25 - 3.0/2039=3, 3639/3.2=2...(11) HB2 GLN 133 + QD1 LEU 69 OK 20 92 - 22 - 3.0/8465=3, 2.9/9930=2...(10) HG3 PRO 118 + QD1 LEU 69 OK 20 85 - 23 - 1.8/9892=6, 2.3/8465=4...(6) HB3 GLN 133 + QD1 LEU 69 OK 19 89 - 22 - 3.0/8465=3, 2.9/9930=2...(10) Peak 9932 from aliabs.peaks (4.35, 1.18, 23.77 ppm; 4.21 A): 3 out of 4 assignments used, quality = 0.78: HA TYR 70 + QD1 LEU 69 OK 68 100 - 68 - 2.9/9923=28, ~6709=12...(14) HA ASP 65 + QD1 LEU 69 OK 22 68 - 33 - 8386=10, 3.0/9875=8...(8) HA ILE 56 + QD1 LEU 69 OK 12 96 - 13 - 4.2/10917=4, 3.2/1461=2...(4) HB THR 51 - QD1 LEU 69 lone 8 85 - 9 - ~8225=2, ~10461=2, ~8225=1 Peak 9933 from aliabs.peaks (4.22, 1.18, 23.77 ppm; 4.84 A): 6 out of 7 assignments used, quality = 0.90: HA PHE 45 + QD1 LEU 69 OK 52 100 - 52 - 3.6/9876=21, 3.1/9880=21...(7) HA LYS 93 + QD1 LEU 69 OK 37 96 - 38 - 10105/9883=5...(15) HA ILE 101 + QD1 LEU 69 OK 31 99 - 32 - 3.0/2039=4, 1020/2.1=3...(15) HA PHE 67 + QD1 LEU 69 OK 24 68 - 36 - 5.0/8465=8, 3.6/8441=8...(6) HA LYS 85 + QD1 LEU 69 OK 21 68 - 31 - 3.0/9876=8, 2.9/2040=4...(12) HA ALA 134 + QD1 LEU 69 OK 19 99 - 19 - 9650=5, 4.9/8465=3...(4) HA THR 102 - QD1 LEU 69 lone 8 100 - 8 - Peak 9934 from aliabs.peaks (1.67, 1.18, 23.77 ppm; 3.51 A): 10 out of 14 assignments used, quality = 0.93: HB2 MET 68 + QD1 LEU 69 OK 39 100 - 40 - 4.4/2036=11, 4.2/8423=5...(12) HG13 ILE 136 + QD1 LEU 69 OK 38 100 - 39 - 2.1/8473=6, 3.7/9928=4...(15) HB2 LEU 95 + QD1 LEU 69 OK 31 99 - 32 - 3.1/9074=4, 3.0/9063=4...(15) HB VAL 71 + QD1 LEU 69 OK 28 99 - 28 - 4.6/6745=4...(10) HG2 ARG 89 + QD1 LEU 69 OK 26 99 - 26 - 3.8/8947=5, 2.8/2039=3...(9) HD3 LYS 93 + QD1 LEU 69 OK 18 98 - 19 - 4.9/9933=2, 3.0/2288=1 HG2 ARG 140 + QD1 LEU 69 OK 13 62 - 21 - 2.9/9929=4, 2.9/9929=3...(6) HB2 PRO 57 + QD1 LEU 69 OK 11 77 - 14 - ~8464=5, 10424/11376=1 HD3 LYS 48 + QD1 LEU 69 OK 10 100 - 10 - 3.6/2040=1 HD2 LYS 48 + QD1 LEU 69 OK 10 99 - 10 - 3.6/2040=1 HG2 ARG 124 - QD1 LEU 69 poor 6 62 - 10 - 11071/11376=2, 3.0/9929=2 HG LEU 97 - QD1 LEU 69 lone 6 68 - 9 - 3.0/10129=2, 5.3/11420=2 HB2 ARG 145 - QD1 LEU 69 lone 4 100 - 4 - HG3 ARG 141 - QD1 LEU 69 lone 3 72 - 3 - Peak 9935 from aliabs.peaks (0.33, 1.18, 23.77 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.46: QD1 ILE 91 + QD1 LEU 69 OK 36 57 - 63 - 4.5/9883=17, 3.3/9894=17...(19) HG2 LYS 123 + QD1 LEU 69 OK 16 72 - 22 - 8582/8461=4, 8577/9922=2...(8) Peak 9936 from aliabs.peaks (0.10, 1.18, 23.77 ppm; 4.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9937 from aliabs.peaks (2.24, 4.35, 62.26 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.66: HB3 PRO 12 + HA TYR 70 OK 66 100 - 67 - 84=14, 1.8/76=13...(16) HB2 GLU 28 - HA TYR 70 poor 9 72 - 12 - 4.3/8491=5, ~6707=2...(4) HG2 GLU 37 - HA TYR 70 lone 8 100 - 8 - 10768/8491=2, 10768/8491=1 HG2 MET 113 - HA TYR 70 lone 3 77 - 4 - 3707/4.9=1 Peak 9938 from aliabs.peaks (0.76, 1.67, 31.76 ppm; 4.47 A): 5 out of 8 assignments used, quality = 0.88: QD1 LEU 72 + HB VAL 71 OK 67 77 - 88 - 10171/2.1=24...(21) QD2 LEU 108 + HB VAL 71 OK 24 100 - 24 - ~10171=8, ~8515=4...(8) QD1 LEU 72 + HB2 PRO 57 OK 22 48 - 45 - 4.9/2091=5, 2.1/1516=3...(23) QG2 VAL 73 + HB VAL 71 OK 21 62 - 34 - 9961/4.6=9, ~9894=9...(5) QD1 LEU 108 + HB VAL 71 OK 21 94 - 22 - 10171/2.1=10, 2149/4.6=6 QD2 LEU 108 - HB2 PRO 57 poor 9 72 - 12 - 8630/11514=2, 3.2/8262=2...(4) QD1 LEU 108 - HB2 PRO 57 poor 7 63 - 10 - 3.2/8262=2, 8630/11514=1 QG2 VAL 73 - HB2 PRO 57 lone 3 38 - 9 - 2.1/11514=2, ~10656=1 Peak 9939 from aliabs.peaks (1.81, 0.25, 22.30 ppm; 3.63 A): 2 out of 10 assignments used, quality = 0.97: HB3 LEU 72 + QG2 VAL 71 OK 86 99 - 87 - 3.4/2097=25, ~2103=13...(32) HB3 MET 68 + QG2 VAL 71 OK 76 85 - 89 - 3.0/8439=22, 4.2/8426=20...(30) HG2 PRO 57 - QG2 VAL 71 OK 33 72 - 46 - 2.3/2089=9, 9900=6...(18) HB2 ARG 124 - QG2 VAL 71 OK 21 100 - 21 - 6746/4.3=3, 4208/2.1=2...(6) HB2 LYS 24 - QG2 VAL 71 OK 13 100 - 13 - 8520=3, 9902/3.9=2 HD3 LYS 34 - QG2 VAL 71 OK 12 77 - 15 - 1.8/9900=2, 8495/3.9=2...(7) HB2 MET 11 - QG2 VAL 71 lone 9 99 - 9 - 6746/4.3=1, 1994/8426=1 HD3 LYS 86 - QG2 VAL 71 lone 7 77 - 9 - 3.5/8520=1, 6746/4.3=1 HB2 ARG 141 - QG2 VAL 71 lone 7 81 - 9 - 1994/8426=1, 1972/8435=1...(4) HD3 LYS 36 - QG2 VAL 71 lone 5 89 - 6 - Peak 9940 from aliabs.peaks (8.01, 0.59, 20.28 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.98: H VAL 73 + QG1 VAL 71 OK 98 99 - 99 - 3.0/2103=48, ~2097=36...(25) Peak 9942 from aliabs.peaks (8.01, 1.18, 42.88 ppm; 5.75 A): 1 out of 1 assignment used, quality = 1.00: H VAL 73 + HB2 LEU 72 OK 100 100 - 100 - 4.4=100 Peak 9943 from aliabs.peaks (1.92, 0.77, 26.47 ppm; 3.50 A): 4 out of 20 assignments used, quality = 0.94: QE MET 68 + QD1 LEU 72 OK 79 99 - 80 - 3.3/9912=21, 8424=21...(23) HB3 LEU 69 + QD1 LEU 72 OK 45 68 - 66 - 3.2/2151=9, 9949/2.1=6...(34) HB2 MET 59 + QD1 LEU 72 OK 30 94 - 31 - 1604/2.1=5, 9949/2.1=4...(15) HB3 LEU 69 + QD1 LEU 108 OK 27 55 - 49 - ~8477=14, ~8473=6...(18) QE MET 68 - QD1 LEU 108 OK 27 87 - 31 - 8424=6, 3.3/9945=4...(10) HB2 MET 59 - QD1 LEU 108 OK 18 81 - 22 - 4.2/10232=4, ~9265=3...(8) HB2 LYS 86 - QD1 LEU 72 OK 17 100 - 17 - 9949/2.1=2, 2688/3.1=2 HG13 ILE 83 - QD1 LEU 72 OK 13 85 - 16 - 9949/2.1=2, 3.0/2153=1, ~11153=1 HB2 PRO 118 - QD1 LEU 72 OK 12 81 - 15 - 1.8/9911=4, 9949/2.1=1...(4) HB2 ARG 140 - QD1 LEU 72 OK 10 92 - 11 - 4.0/2156=2, 9949/2.1=1 HG3 PRO 12 - QD1 LEU 72 lone 8 99 - 8 - 2.3/10230=2 HG13 ILE 83 - QD1 LEU 108 lone 5 72 - 7 - 1.8/10231=1 HB ILE 101 - QD1 LEU 72 lone 5 62 - 8 - 9199/10172=2 HB2 LYS 86 - QD1 LEU 108 lone 4 89 - 5 - ~8873=2 HB ILE 101 - QD1 LEU 108 lone 4 51 - 8 - 9199/10172=2 HB2 ARG 89 - QD1 LEU 72 lone 3 68 - 4 - HG3 PRO 12 - QD1 LEU 108 lone 2 87 - 2 - HB2 PRO 118 - QD1 LEU 108 lone 2 68 - 3 - HB2 ARG 140 - QD1 LEU 108 lone 2 78 - 2 - HB2 ARG 89 - QD1 LEU 108 lone 0 55 - 1 - Peak 9944 from aliabs.peaks (2.43, 0.77, 26.47 ppm; 3.80 A): 3 out of 18 assignments used, quality = 0.91: HG2 MET 68 + QD1 LEU 72 OK 85 100 - 85 - 1.8/9912=35, 3.3/8424=15...(31) HG2 MET 11 + QD1 LEU 72 OK 22 81 - 27 - 9952/2.1=4, 3.0/2152=3...(12) HG2 MET 68 + QD1 LEU 108 OK 22 90 - 24 - 1.8/9945=7, 3.3/8424=4...(7) HG2 GLN 133 - QD1 LEU 72 OK 19 92 - 21 - 4.0/9618=4, 9952/2.1=3...(7) HG3 GLN 133 - QD1 LEU 72 OK 18 89 - 21 - 4.0/9618=4, 3.5/9608=3...(7) QE MET 46 - QD1 LEU 72 OK 17 94 - 18 - 10702/8541=3, 9952/2.1=2...(6) HB3 PRO 33 - QD1 LEU 72 OK 13 98 - 14 - 1980/9912=4, 9952/2.1=2 HG3 GLN 47 - QD1 LEU 108 OK 13 87 - 15 - 4.9/3509=5, 1136/4.4=2...(5) HG2 GLN 47 - QD1 LEU 108 OK 13 87 - 15 - 4.9/3509=5, 1136/4.4=2...(5) QE MET 46 - QD1 LEU 108 OK 13 81 - 16 - 10700/3.2=2...(4) HG2 GLN 47 - QD1 LEU 72 OK 10 99 - 11 - 4.9/2156=2, 9952/2.1=2...(5) HG3 GLN 47 - QD1 LEU 72 OK 10 99 - 11 - 4.9/2156=2, 9952/2.1=2...(5) HG2 GLN 133 - QD1 LEU 108 poor 9 78 - 11 - 4.0/9618=3 HG3 GLN 133 - QD1 LEU 108 poor 8 75 - 11 - 4.0/9618=3 HB3 PRO 118 - QD1 LEU 72 poor 8 68 - 12 - 1.8/9943=2, 3.0/2150=2...(4) HG2 MET 11 - QD1 LEU 108 lone 4 68 - 6 - ~10598=1, 3.3/10169=1 HB3 PRO 33 - QD1 LEU 108 lone 3 86 - 4 - HB3 PRO 118 - QD1 LEU 108 lone 1 55 - 2 - Peak 9945 from aliabs.peaks (2.54, 0.77, 26.47 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.92: HG3 MET 68 + QD1 LEU 72 OK 89 100 - 89 - 8427=24, 3.3/8424=17...(33) HG3 MET 68 + QD1 LEU 108 OK 26 90 - 28 - 8427=5, 3.3/8424=4...(8) Peak 9947 from aliabs.peaks (0.61, 0.79, 22.25 ppm; 2.79 A): 3 out of 6 assignments used, quality = 0.48: QD1 LEU 132 + QD2 LEU 72 OK 31 89 - 35 - 10420=9, 10420/2.1=5...(10) QD1 LEU 66 + QD2 LEU 72 OK 14 89 - 16 - 9859/8542=2, 6743/5.0=1...(4) QD1 LEU 132 + QD1 LEU 79 OK 11 27 - 41 - ~8738=10, ~8738=9...(13) QD1 LEU 132 - QG2 THR 74 poor 8 52 - 15 - 8623/4.3=3, 9582/2.1=2...(4) QD1 LEU 66 - QD1 LEU 79 lone 2 27 - 9 - ~8736=1 QD1 LEU 66 - QG2 THR 74 lone 2 52 - 4 - Peak 9948 from aliabs.peaks (0.11, 0.79, 22.25 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.56: QG1 VAL 73 + QD2 LEU 72 OK 47 68 - 70 - 2.1/11608=11...(27) QG1 VAL 73 + QG2 THR 74 OK 16 37 - 45 - 6778/4.0=11, 8604/3.2=9...(12) QG1 VAL 73 - QD1 LEU 79 poor 9 19 - 47 - 8715/4.0=17, 8587/2.1=14...(11) Peak 9949 from aliabs.peaks (1.92, 0.79, 22.25 ppm; 3.04 A): 4 out of 30 assignments used, quality = 0.88: QE MET 68 + QD2 LEU 72 OK 72 99 - 73 - 8424=17, 8424/2.1=15...(25) HB3 LEU 69 + QD2 LEU 72 OK 35 68 - 52 - 3.2/2143=6, 9943/2.1=4...(32) HB2 MET 59 + QD2 LEU 72 OK 22 94 - 23 - 1.8/2145=4, 1604/2.1=4...(9) HB2 LYS 86 + QD2 LEU 72 OK 12 100 - 12 - 9943/2.1=1, 2688/3.2=1 HG13 ILE 83 - QD2 LEU 72 poor 10 85 - 11 - 9943/2.1=1, 1.8/11153=1 HG13 ILE 83 - QD1 LEU 79 poor 9 26 - 36 - 1.8/11153=4, ~2393=3...(19) QE MET 68 - QG2 THR 74 poor 9 62 - 14 - 3.3/8428=2, 8426/8516=1...(5) HB2 PRO 118 - QD2 LEU 72 poor 8 81 - 10 - ~9911=2, 3.0/2142=1, 9943/2.1=1 HB2 ARG 140 - QD2 LEU 72 lone 8 92 - 9 - 4.0/2148=2 HB3 LEU 69 - QD1 LEU 79 poor 7 19 - 37 - 3.0/8468=5, 4.0/8466=5...(14) QE MET 68 - QD1 LEU 79 poor 6 34 - 19 - 3.3/8428=4, 4.2/8430=2...(6) HG3 PRO 12 - QD2 LEU 72 lone 5 99 - 5 - HB3 LEU 69 - QG2 THR 74 poor 4 37 - 11 - 4.0/8466=2, 3.0/8468=2...(5) HB ILE 101 - QD2 LEU 72 lone 3 62 - 5 - HG13 ILE 83 - QG2 THR 74 lone 2 49 - 5 - ~11041=1 HB2 ARG 89 - QD2 LEU 72 lone 2 68 - 3 - HB2 ARG 140 - QG2 THR 74 lone 2 54 - 3 - ~8609=2 HG3 PRO 12 - QD1 LEU 79 lone 2 34 - 5 - HB2 LYS 86 - QD1 LEU 79 lone 1 34 - 4 - HB2 ARG 89 - QG2 THR 74 lone 1 37 - 3 - ~8609=2, ~8609=1 HB2 LYS 86 - QG2 THR 74 lone 1 63 - 2 - HB ILE 101 - QD1 LEU 79 lone 1 17 - 7 - ~10177=2, ~10133=1 HB2 PRO 118 - QG2 THR 74 lone 1 46 - 2 - HB2 ARG 140 - QD1 LEU 79 lone 1 29 - 4 - HG3 PRO 12 - QG2 THR 74 lone 1 62 - 1 - HB2 MET 59 - QD1 LEU 79 lone 1 30 - 2 - HB2 MET 59 - QG2 THR 74 lone 1 57 - 1 - HB2 PRO 118 - QD1 LEU 79 lone 1 24 - 2 - HB ILE 101 - QG2 THR 74 lone 0 33 - 1 - HB2 ARG 89 - QD1 LEU 79 lone 0 19 - 1 - Peak 9952 from aliabs.peaks (2.43, 0.79, 22.25 ppm; 3.66 A): 2 out of 24 assignments used, quality = 0.90: HG2 MET 68 + QD2 LEU 72 OK 88 100 - 88 - ~9912=20, ~9945=15...(35) HG2 MET 11 + QD2 LEU 72 OK 24 92 - 26 - 3.0/2144=3, 3.0/11609=3...(10) HG2 GLN 133 - QD2 LEU 72 OK 18 81 - 22 - ~9911=4, 4.0/9618=3...(9) HG3 GLN 133 - QD2 LEU 72 OK 17 77 - 22 - ~9911=4, 4.0/9618=3...(9) QE MET 46 - QD2 LEU 72 OK 15 85 - 17 - 9911/2.1=4, 10702/8542=3...(4) HG2 MET 68 - QG2 THR 74 OK 12 65 - 18 - 8428=5, 4.4/8443=3...(7) HG2 MET 68 - QD1 LEU 79 OK 11 35 - 31 - 8428=10, 4.4/8443=5...(8) HB3 PRO 33 - QD2 LEU 72 OK 11 100 - 11 - 9944/2.1=1, 1980/8427=1...(4) HG3 GLN 47 - QD2 LEU 72 OK 10 94 - 11 - ~9911=2, 4.9/2148=1, 9944/2.1=1 HG2 GLN 47 - QD2 LEU 72 OK 10 94 - 11 - ~9911=2, 4.9/2148=1, 9944/2.1=1 QE MET 46 - QG2 THR 74 lone 4 49 - 9 - 10478/4.3=5 QE MET 46 - QD1 LEU 79 lone 2 26 - 8 - ~8726=1, ~8726=1 HB3 PRO 33 - QG2 THR 74 lone 2 64 - 3 - HB3 PRO 33 - QD1 LEU 79 lone 2 35 - 5 - 8428=1 HG2 GLN 133 - QG2 THR 74 lone 2 46 - 3 - HG3 GLN 133 - QG2 THR 74 lone 1 43 - 3 - HG2 MET 11 - QG2 THR 74 lone 1 54 - 2 - HG2 GLN 133 - QD1 LEU 79 lone 1 24 - 4 - 4.5/9621=2 HG2 MET 11 - QD1 LEU 79 lone 1 29 - 4 - HG2 GLN 47 - QG2 THR 74 lone 1 57 - 2 - HG3 GLN 47 - QG2 THR 74 lone 1 57 - 2 - HG3 GLN 133 - QD1 LEU 79 lone 1 22 - 4 - 4.5/9621=2 HG2 GLN 47 - QD1 LEU 79 lone 1 30 - 2 - HG3 GLN 47 - QD1 LEU 79 lone 1 30 - 2 - Peak 9953 from aliabs.peaks (2.57, 0.79, 22.25 ppm; 3.98 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9954 from aliabs.peaks (3.09, 0.79, 22.25 ppm; 3.42 A): 3 out of 15 assignments used, quality = 0.47: HA2 GLY 78 + QG2 THR 74 OK 27 46 - 59 - 8607/3.2=14, ~8693=9...(11) HA ALA 105 + QD2 LEU 72 OK 20 62 - 32 - 2.1/9221=5, 2.9/9218=5...(12) HA2 GLY 78 + QD2 LEU 72 OK 10 81 - 13 - 3.0/10260=3, 1.8/8710=2 HA2 GLY 78 - QD1 LEU 79 poor 8 24 - 35 - ~8711=7, 3.6/6851=7...(8) HD3 ARG 49 - QD2 LEU 72 lone 3 77 - 4 - HA TYR 119 - QD2 LEU 72 lone 2 62 - 4 - HB3 HIS 10 - QD2 LEU 72 lone 2 96 - 2 - HD3 ARG 49 - QG2 THR 74 lone 2 43 - 5 - 8607/3.2=2 HD3 ARG 49 - QD1 LEU 79 lone 1 22 - 6 - 6844/4.2=1 HA TYR 119 - QG2 THR 74 lone 1 33 - 3 - 3.6/9438=1 HB3 HIS 10 - QG2 THR 74 lone 1 59 - 2 - HA TYR 119 - QD1 LEU 79 lone 1 17 - 4 - 6844/4.2=1 HA ALA 105 - QG2 THR 74 lone 1 33 - 2 - HA ALA 105 - QD1 LEU 79 lone 0 17 - 3 - HB3 HIS 10 - QD1 LEU 79 lone 0 32 - 1 - Peak 9955 from aliabs.peaks (2.98, 0.79, 22.25 ppm; 3.93 A): 5 out of 15 assignments used, quality = 0.93: HA VAL 71 + QD2 LEU 72 OK 84 99 - 85 - 3.6/2141=20, 4.9/2109=12...(29) HA VAL 71 + QG2 THR 74 OK 38 62 - 61 - 2083/4.0=17, 8496=17...(12) HA VAL 82 + QD2 LEU 72 OK 15 62 - 23 - 6740/5.0=4, 3.0/8814=4...(9) HB3 TYR 27 + QD2 LEU 72 OK 12 94 - 13 - 3.9/8546=2, 6740/5.0=2 HA VAL 71 + QD1 LEU 79 OK 10 34 - 31 - 8496=9, 8501/4.0=4...(9) HA VAL 82 - QG2 THR 74 poor 9 33 - 27 - 6772/4.0=6, 6786/4.3=4...(7) HA VAL 82 - QD1 LEU 79 poor 5 17 - 30 - 2.4/9941=6, ~10047=4...(10) HB2 ASP 30 - QG2 THR 74 lone 4 62 - 6 - 6786/4.3=2, 6772/4.0=1 HB2 ASP 30 - QD2 LEU 72 lone 4 99 - 4 - HB3 TYR 27 - QG2 THR 74 lone 2 57 - 4 - HB2 HIS 14 - QD2 LEU 72 lone 1 100 - 1 - HB3 TYR 27 - QD1 LEU 79 lone 1 30 - 3 - HB2 ASP 30 - QD1 LEU 79 lone 1 34 - 2 - HB2 HIS 14 - QG2 THR 74 lone 0 64 - 1 - HB2 HIS 14 - QD1 LEU 79 lone 0 35 - 1 - Peak 9956 from aliabs.peaks (3.19, 0.79, 22.25 ppm; 3.54 A): 4 out of 21 assignments used, quality = 0.85: HA VAL 73 + QD2 LEU 72 OK 71 85 - 83 - 3.2/9948=18, 3.0/2148=15...(39) HA VAL 73 + QG2 THR 74 OK 27 49 - 55 - 3.6/6782=10, ~8604=8...(15) HA LEU 39 + QD2 LEU 72 OK 21 89 - 24 - 3.6/2141=7, ~10227=6...(7) HA VAL 73 + QD1 LEU 79 OK 12 26 - 48 - ~8587=13, ~8579=11...(12) HD3 ARG 55 - QD2 LEU 72 lone 7 96 - 7 - HD3 ARG 55 - QD1 LEU 79 poor 5 32 - 17 - ~2392=2, ~2384=2...(8) HD2 ARG 55 - QD2 LEU 72 lone 5 81 - 6 - HD3 ARG 144 - QD2 LEU 72 lone 4 100 - 4 - HD2 ARG 144 - QD2 LEU 72 lone 4 96 - 4 - HD2 ARG 55 - QD1 LEU 79 poor 4 24 - 16 - ~2392=2, ~2384=2...(8) HD3 ARG 144 - QG2 THR 74 lone 3 65 - 5 - 6776/4.0=2, 6789/4.3=1 HD2 ARG 141 - QD2 LEU 72 lone 3 77 - 4 - HD2 ARG 144 - QG2 THR 74 lone 3 59 - 5 - 6776/4.0=2, 6789/4.3=1 HD3 ARG 55 - QG2 THR 74 lone 3 59 - 5 - 6776/4.0=2, 6789/4.3=1 HD3 ARG 144 - QD1 LEU 79 lone 2 35 - 4 - HA LEU 39 - QG2 THR 74 lone 2 52 - 3 - HD2 ARG 144 - QD1 LEU 79 lone 1 32 - 4 - HD2 ARG 55 - QG2 THR 74 lone 1 46 - 2 - HA LEU 39 - QD1 LEU 79 lone 1 27 - 3 - HD2 ARG 141 - QD1 LEU 79 lone 1 22 - 4 - HD2 ARG 141 - QG2 THR 74 lone 1 43 - 2 - Peak 9957 from aliabs.peaks (3.99, 0.77, 26.47 ppm; 3.67 A): 11 out of 14 assignments used, quality = 0.94: HA LEU 69 + QD1 LEU 72 OK 41 68 - 60 - 4.1/2151=7, 3.0/9910=7...(22) HA GLU 75 + QD1 LEU 108 OK 37 60 - 61 - 9258=28, 9257/2.1=13...(10) HA GLU 75 + QD1 LEU 72 OK 36 72 - 50 - 9958/2.1=11, ~11608=6...(16) HB3 SER 127 + QD1 LEU 72 OK 28 100 - 28 - 1.8/2150=5, 4326/3.8=3...(9) HA LEU 69 + QD1 LEU 108 OK 18 55 - 33 - 9257/2.1=6, 3.9/8477=5...(13) HA MET 113 + QD1 LEU 72 OK 18 99 - 18 - 5.4/9331=2, 9958/2.1=2...(7) HB3 SER 127 + QD1 LEU 108 OK 13 90 - 14 - 9258=6, 9257/2.1=3 HA MET 113 + QD1 LEU 108 OK 12 87 - 14 - 9257/2.1=4, 5.4/9331=2 HA LYS 114 + QD1 LEU 108 OK 10 84 - 12 - 9257/2.1=4, 4.8/10173=1 HB2 SER 138 + QD1 LEU 72 OK 10 100 - 10 - 9958/2.1=1 HB3 SER 138 + QD1 LEU 72 OK 10 99 - 10 - HA LYS 114 - QD1 LEU 72 poor 10 96 - 10 - 8975/8970=1, 6736/4.9=1 HB2 SER 138 - QD1 LEU 108 lone 9 89 - 10 - 9257/2.1=2, ~9257=2, ~9257=1 HB3 SER 138 - QD1 LEU 108 lone 8 87 - 10 - 9257/2.1=2, ~9257=2, ~9257=1 Peak 9958 from aliabs.peaks (3.98, 0.79, 22.25 ppm; 3.39 A): 4 out of 15 assignments used, quality = 0.78: HA GLU 75 + QD2 LEU 72 OK 59 100 - 60 - 11723=17, 9258/2.1=10...(20) HA GLU 75 + QG2 THR 74 OK 26 63 - 40 - 6794/4.3=15, ~2195=9...(7) HB3 SER 127 + QD2 LEU 72 OK 18 77 - 23 - 1.8/2142=5, ~2150=2...(9) HA MET 113 + QD2 LEU 72 OK 10 68 - 15 - 3.7/8543=2, 5.4/9331=2...(6) HA MET 113 - QD1 LEU 79 poor 7 19 - 37 - ~9323=10, 9319/2.1=8...(7) HB2 SER 138 - QD2 LEU 72 lone 6 72 - 8 - HA GLU 75 - QD1 LEU 79 poor 5 34 - 15 - 2.9/6793=4, 9968=3...(5) HB3 SER 138 - QD2 LEU 72 lone 5 68 - 7 - HA MET 113 - QG2 THR 74 poor 4 37 - 12 - 3.0/9316=4, 11700/4.3=2...(4) HB3 SER 127 - QG2 THR 74 lone 3 43 - 7 - 6794/4.3=3 HB2 SER 138 - QD1 LEU 79 lone 1 21 - 7 - 8729/2.1=2, 4.7/9937=1...(4) HB3 SER 138 - QD1 LEU 79 lone 1 19 - 7 - 8729/2.1=2, 4.7/9937=1...(4) HB3 SER 127 - QD1 LEU 79 lone 1 22 - 5 - 8729/2.1=1 HB2 SER 138 - QG2 THR 74 lone 1 40 - 3 - 4.7/9937=1 HB3 SER 138 - QG2 THR 74 lone 1 37 - 2 - 4.7/9937=1 Peak 9959 from aliabs.peaks (7.22, 0.77, 26.47 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.73: H GLU 37 + QD1 LEU 108 OK 36 84 - 43 - 9914=22, 10228/2.1=6...(11) QD PHE 45 + QD1 LEU 108 OK 34 87 - 38 - 9914=20, 10228/2.1=7...(9) H GLU 37 + QD1 LEU 72 OK 25 96 - 26 - 8993/8541=5, 9000/9913=3...(8) QD PHE 45 + QD1 LEU 72 OK 14 99 - 14 - 8993/8541=3, 9000/9913=2...(4) Peak 9960 from aliabs.peaks (6.54, 0.77, 26.47 ppm; 4.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9961 from aliabs.peaks (8.60, 0.77, 23.82 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.93: H LEU 72 + QG2 VAL 73 OK 93 94 - 98 - 3.0/2179=46, 9925=35...(35) Peak 9962 from aliabs.peaks (6.96, 0.80, 22.30 ppm; 3.82 A): 0 out of 8 assignments used, low quality = 0.00: QD PHE 23 - QD1 LEU 79 poor 8 47 - 17 - 4796/2.1=12, 8670/4.2=2 QD PHE 23 - QG2 THR 74 lone 2 81 - 3 - QD PHE 23 - QD2 LEU 72 lone 2 46 - 5 - 10187/9331=1, 11387/8493=1 QD PHE 23 - QD2 LEU 126 lone 1 40 - 2 - HD2 HIS 10 - QD2 LEU 72 lone 1 43 - 2 - HD2 HIS 10 - QG2 THR 74 lone 1 77 - 1 - HD2 HIS 10 - QD1 LEU 79 lone 0 44 - 1 - HD2 HIS 10 - QD2 LEU 126 lone 0 38 - 1 - Peak 9968 from aliabs.peaks (0.79, 3.98, 59.14 ppm; 4.48 A): 3 out of 6 assignments used, quality = 0.95: QD2 LEU 72 + HA GLU 75 OK 80 100 - 80 - 9958=20, 2.1/9258=16...(20) QG2 THR 74 + HA GLU 75 OK 63 96 - 66 - 4.3/6794=26, ~2195=16...(10) QD2 LEU 126 + HA GLU 75 OK 28 72 - 39 - 6793/2.9=10, 8620/3.6=8...(10) QD1 LEU 79 - HA GLU 75 OK 28 98 - 29 - 6793/2.9=8, ~8735=4...(8) QD2 LEU 95 - HA GLU 75 OK 20 100 - 21 - ~11680=6, 2.1/9066=6...(4) QG1 VAL 80 - HA GLU 75 lone 6 72 - 8 - 2.1/9951=4, 6793/2.9=1 Peak 9969 from aliabs.peaks (0.78, 2.29, 36.56 ppm; 3.63 A): 5 out of 15 assignments used, quality = 0.93: QG2 VAL 73 + HG3 GLU 75 OK 60 96 - 62 - 2.1/2233=11, 2181/3.0=11...(17) QD1 LEU 72 + HG3 GLU 75 OK 44 89 - 49 - 8633/1.8=7, 3.1/8641=6...(15) QD2 LEU 72 + HG3 GLU 75 OK 41 77 - 53 - 11723/3.9=7, 11608/3.0=7...(18) QD1 LEU 108 + HG3 GLU 75 OK 37 68 - 55 - 2.1/8642=22, 9258/3.9=10...(10) QD1 ILE 136 + HG3 GLU 75 OK 22 100 - 22 - 10341/3.0=3, 8633/1.8=3...(6) QG2 VAL 73 - HG3 GLU 120 lone 4 67 - 6 - 2181/2214=1 QD1 ILE 136 - HG3 GLU 120 lone 4 72 - 5 - QD1 LEU 72 - HG3 GLU 120 lone 3 59 - 6 - ~9559=2 QD2 LEU 72 - HG3 GLU 120 lone 3 50 - 7 - 9559/1.8=2 QG2 VAL 73 - HG2 GLU 120 lone 2 52 - 5 - QD1 LEU 108 - HG3 GLU 120 lone 2 42 - 4 - 9258/2206=1 QD1 ILE 136 - HG2 GLU 120 lone 2 56 - 3 - QD1 LEU 72 - HG2 GLU 120 lone 2 45 - 4 - QD2 LEU 72 - HG2 GLU 120 lone 1 38 - 4 - QD1 LEU 108 - HG2 GLU 120 lone 1 32 - 3 - Peak 9970 from aliabs.peaks (1.53, 2.29, 36.56 ppm; 3.93 A): 6 out of 24 assignments used, quality = 0.90: HG3 LYS 76 + HG3 GLU 75 OK 67 100 - 68 - 8635/1.8=15, ~8634=12...(16) HD2 LYS 76 + HG3 GLU 75 OK 39 68 - 57 - 3.0/8641=9, ~8634=9...(15) HG3 PRO 57 + HG3 GLU 75 OK 30 81 - 37 - 8635/1.8=8, ~11514=7...(14) QB ALA 135 + HG3 GLU 75 OK 12 92 - 13 - 8626/5.0=2, 8635/1.8=2...(5) HG3 LYS 85 + HG3 GLU 75 OK 11 100 - 11 - 10041/8642=3, 8635/1.8=2 HG3 LYS 76 + HG3 GLU 120 OK 10 72 - 14 - 8660/8642=3, 1.8/8641=2...(7) HG3 LYS 85 - HG3 GLU 120 poor 9 74 - 13 - 8864/3.0=4, 10041/8642=2...(4) HG3 LYS 85 - HG2 GLU 120 poor 7 57 - 13 - 8864/3.0=4, ~11605=1...(4) HG2 LYS 93 - HG3 GLU 75 lone 7 85 - 8 - 8660/8642=1, 8635/1.8=1 HG3 LYS 76 - HG2 GLU 120 poor 6 56 - 11 - 8660/8642=2, ~8641=2...(6) HB2 LEU 29 - HG3 GLU 75 lone 6 99 - 6 - 8635/1.8=2 HD2 LYS 76 - HG3 GLU 120 lone 4 42 - 9 - 3.0/8641=2, ~11553=1 HB2 GLU 122 - HG3 GLU 120 lone 3 74 - 4 - 9449/7498=2, 4012/3.8=2 HB2 GLU 122 - HG3 GLU 75 lone 3 100 - 3 - HD2 LYS 76 - HG2 GLU 120 lone 3 32 - 8 - 3.5/11604=1, ~8641=1, 3.0/8641=1 QB ALA 135 - HG3 GLU 120 lone 3 62 - 4 - HB2 GLU 122 - HG2 GLU 120 lone 2 57 - 4 - 4012/3.8=2, 9449/7497=1 QB ALA 135 - HG2 GLU 120 lone 2 48 - 4 - HG2 LYS 93 - HG3 GLU 120 lone 2 56 - 3 - HG3 PRO 57 - HG3 GLU 120 lone 1 53 - 3 - HG2 LYS 93 - HG2 GLU 120 lone 1 43 - 2 - HB2 LEU 29 - HG3 GLU 120 lone 1 71 - 1 - HG3 PRO 57 - HG2 GLU 120 lone 1 40 - 2 - HB2 LEU 29 - HG2 GLU 120 lone 1 55 - 1 - Peak 9971 from aliabs.peaks (0.24, 2.29, 36.56 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.88: QG2 VAL 71 + HG3 GLU 75 OK 86 100 - 86 - 9972/1.8=37, 2.1/8512=27...(18) QG2 VAL 71 + HG3 GLU 120 OK 13 73 - 18 - 2.1/8512=5, 8504/3.0=4...(4) QG2 VAL 71 - HG2 GLU 120 poor 9 57 - 16 - ~8512=5, 8504/3.0=4...(4) Peak 9972 from aliabs.peaks (0.25, 2.20, 36.56 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 71 + HG2 GLU 75 OK 91 100 - 91 - 9971/1.8=33, ~8512=30...(21) Peak 9973 from aliabs.peaks (2.30, 4.37, 44.28 ppm; 4.85 A): 1 out of 4 assignments used, quality = 0.96: HG3 GLU 81 + HA3 GLY 77 OK 96 100 - 97 - 8771/1.8=43, ~8769=32...(15) HG3 GLU 75 - HA3 GLY 77 OK 23 94 - 24 - ~8676=9, 3.0/8688=5...(6) HG3 GLU 120 - HA3 GLY 77 lone 5 94 - 5 - ~8690=1, 2460/8768=1 HG2 GLU 120 - HA3 GLY 77 lone 2 72 - 3 - Peak 9975 from aliabs.peaks (6.44, 0.80, 22.65 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.75: HH2 TRP 88 + QD1 LEU 79 OK 69 94 - 73 - 8721=36, 2.5/8720=16...(13) HH2 TRP 88 + QD2 LEU 95 OK 21 84 - 25 - 8721=10, 2.5/8943=6...(5) HH2 TRP 88 - QG2 THR 74 poor 8 58 - 14 - 8721=4, 2.5/8943=3...(5) HH2 TRP 88 - QD2 LEU 72 poor 7 30 - 22 - 4707=4, 4707/2.1=4...(10) Peak 9976 from aliabs.peaks (6.56, 0.80, 22.65 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.75: QE TYR 117 + QD1 LEU 79 OK 75 100 - 76 - 9981/2.1=34, ~8716=23...(9) QE TYR 117 - QD2 LEU 95 lone 9 92 - 10 - 9981/2402=3, 2.2/9979=2 QE TYR 117 - QG2 THR 74 lone 5 66 - 7 - 9981/2395=2, 9571/8741=2 QE TYR 117 - QD2 LEU 72 poor 4 35 - 11 - 10189/9331=2...(4) Peak 9977 from aliabs.peaks (6.85, 0.80, 22.65 ppm; 3.27 A): 3 out of 8 assignments used, quality = 0.63: HZ2 TRP 88 + QD1 LEU 79 OK 46 68 - 68 - 2.5/8721=20, 8718/2.1=19...(13) QD PHE 67 + QD1 LEU 79 OK 19 68 - 28 - 8720=8, 4.8/8443=4...(8) HZ2 TRP 88 + QD2 LEU 95 OK 14 58 - 25 - 8720=6, 2.5/8721=6...(8) QD PHE 67 - QD2 LEU 95 poor 10 58 - 17 - 8720=4, 4.8/8443=4...(5) HZ2 TRP 88 - QG2 THR 74 poor 5 38 - 14 - 8720=3, 2.5/8721=2...(5) QD PHE 67 - QG2 THR 74 poor 5 38 - 13 - 3.7/8618=3, 8720=2...(5) HZ2 TRP 88 - QD2 LEU 72 poor 3 19 - 14 - 2.5/4707=3, ~4707=2...(5) QD PHE 67 - QD2 LEU 72 lone 1 19 - 7 - 8414/8424=2, 8524/8516=1 Peak 9978 from aliabs.peaks (6.94, 0.80, 22.65 ppm; 3.69 A): 3 out of 12 assignments used, quality = 0.72: QD TYR 112 + QD1 LEU 79 OK 53 85 - 62 - 4713/2.1=16...(14) QD PHE 23 + QD1 LEU 79 OK 23 98 - 24 - 4796/2.1=15, 8670/4.2=5 QD TYR 112 + QG2 THR 74 OK 21 50 - 42 - ~8560=11, 2.2/11008=6...(13) QD TYR 112 - QD2 LEU 95 poor 10 75 - 13 - 2.2/11008=2, 4.5/9298=2...(6) QD TYR 112 - QD2 LEU 72 poor 5 26 - 18 - 4712=4, 4712/2.1=2...(7) QD PHE 23 - QD2 LEU 95 lone 4 89 - 4 - 4796/2402=1 QD PHE 23 - QG2 THR 74 lone 3 62 - 5 - 4796/2395=1 QD PHE 23 - QD2 LEU 72 lone 2 33 - 5 - HD2 HIS 10 - QD1 LEU 79 lone 1 99 - 1 - HD2 HIS 10 - QD2 LEU 95 lone 1 90 - 1 - HD2 HIS 10 - QD2 LEU 72 lone 1 34 - 1 - HD2 HIS 10 - QG2 THR 74 lone 0 64 - 1 - Peak 9979 from aliabs.peaks (7.13, 0.80, 22.65 ppm; 4.04 A): 2 out of 16 assignments used, quality = 0.58: QD TYR 117 + QD1 LEU 79 OK 51 77 - 66 - 2.2/9976=27, ~9981=21...(11) QD PHE 106 + QD1 LEU 79 OK 14 100 - 14 - 5670/9976=3, 2.5/2398=2...(7) QD TYR 117 - QD2 LEU 95 lone 5 67 - 8 - 2.2/9976=3 QD PHE 106 - QD2 LEU 95 lone 3 93 - 3 - QD TYR 117 - QG2 THR 74 lone 2 44 - 5 - 2.2/9976=2 HZ PHE 106 - QD1 LEU 79 lone 2 100 - 2 - QD PHE 106 - QD2 LEU 72 lone 2 35 - 6 - 4.5/10213=2 QD PHE 106 - QG2 THR 74 lone 1 66 - 2 - QD TYR 117 - QD2 LEU 72 lone 1 22 - 6 - 9310/9331=2, 2.2/9976=1 QE PHE 45 - QD1 LEU 79 lone 1 68 - 1 - HZ PHE 106 - QD2 LEU 95 lone 1 92 - 1 - QE PHE 45 - QD2 LEU 95 lone 1 58 - 1 - QE PHE 45 - QD2 LEU 72 lone 1 19 - 3 - ~9959=3 HZ PHE 106 - QD2 LEU 72 lone 1 34 - 2 - HZ PHE 106 - QG2 THR 74 lone 0 65 - 1 - QE PHE 45 - QG2 THR 74 lone 0 38 - 1 - Peak 9980 from aliabs.peaks (7.31, 0.80, 22.65 ppm; 5.11 A): 6 out of 12 assignments used, quality = 0.89: H PHE 67 + QD1 LEU 79 OK 54 100 - 54 - 11231=13, 3.6/8443=12...(14) H PHE 67 + QD2 LEU 95 OK 41 92 - 45 - 3.6/8443=13, 11231=8...(14) QD TYR 115 + QD1 LEU 79 OK 29 100 - 29 - 2.2/11416=12, ~8716=11 H PHE 67 + QG2 THR 74 OK 23 66 - 35 - 11231=9, 3.6/8443=7...(8) QD TYR 115 + QD2 LEU 95 OK 14 93 - 15 - ~4718=4, 2.2/11416=4 H ASP 30 + QD1 LEU 79 OK 11 100 - 11 - 4.4/8719=5, 5663/11416=1 H PHE 67 - QD2 LEU 72 poor 9 35 - 25 - 11234/3.2=6, 9904/8516=3...(7) H ASP 30 - QD2 LEU 95 lone 6 92 - 7 - 4.4/8719=1 QD TYR 115 - QG2 THR 74 lone 5 66 - 8 - 2.2/11416=2, 9362/4304=1 H ASP 30 - QD2 LEU 72 poor 5 34 - 16 - 8078/3.9=7, 8419/8424=3 H ASP 30 - QG2 THR 74 lone 5 65 - 8 - 6139/4.3=3 QD TYR 115 - QD2 LEU 72 poor 4 35 - 11 - 4729/10420=2...(5) Peak 9981 from aliabs.peaks (6.56, 0.64, 26.93 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.80: QE TYR 117 + QD2 LEU 79 OK 80 100 - 80 - 2.2/8716=37, 9976/2.1=30...(11) Peak 9982 from aliabs.peaks (-1.12, 0.80, 22.65 ppm; 4.05 A): 4 out of 4 assignments used, quality = 0.83: QG1 VAL 82 + QD1 LEU 79 OK 64 92 - 69 - 9941=27, 8794/4.0=18...(18) QG1 VAL 82 + QD2 LEU 95 OK 31 82 - 39 - 9941=12, 8824/9075=5...(17) QG1 VAL 82 + QG2 THR 74 OK 21 56 - 38 - 9941=10, ~11037=5...(13) QG1 VAL 82 + QD2 LEU 72 OK 12 29 - 41 - 10647/8542=5, 9982/5.0=5...(16) Peak 9983 from aliabs.peaks (0.60, 3.13, 67.65 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.94: QD1 LEU 132 + HA VAL 80 OK 87 100 - 88 - 9581=25, 9600/3.2=20...(23) QD1 LEU 66 + HA VAL 80 OK 53 100 - 53 - 2.1/8742=12, 2.1/2412=8...(17) QG1 VAL 71 - HA VAL 80 OK 27 81 - 33 - 2.1/8505=12, 3.2/8501=9...(6) Peak 9984 from aliabs.peaks (0.69, 0.91, 24.85 ppm; 3.25 A): 4 out of 4 assignments used, quality = 0.84: QD1 ILE 83 + QG2 VAL 80 OK 60 100 - 61 - 8742/3.2=10, 10028/4.0=8...(21) QD2 LEU 66 + QG2 VAL 80 OK 43 100 - 44 - 9910/4.4=10, 2.1/8755=8...(13) QD2 LEU 39 + QG2 VAL 80 OK 22 77 - 28 - 2.1/11064=6, 3.2/9986=5...(10) HB3 LEU 116 + QG2 VAL 80 OK 11 77 - 14 - 8742/3.2=3, ~10297=3...(7) Peak 9986 from aliabs.peaks (1.36, 0.91, 24.85 ppm; 3.62 A): 4 out of 4 assignments used, quality = 0.86: HG LEU 132 + QG2 VAL 80 OK 66 81 - 81 - 2.1/8756=31, 2.1/8755=23...(15) HB3 LEU 39 + QG2 VAL 80 OK 30 85 - 35 - 3.2/11064=7, 3.2/9946=6...(14) HD3 LYS 76 + QG2 VAL 80 OK 27 96 - 28 - 8777/4.4=7, 1.8/8753=6...(8) HB3 ARG 49 + QG2 VAL 80 OK 17 100 - 16 - 8777/4.4=5, 3.0/9948=2 Peak 9987 from aliabs.peaks (1.95, 0.91, 24.85 ppm; 3.65 A): 7 out of 10 assignments used, quality = 0.89: HB3 LEU 132 + QG2 VAL 80 OK 64 77 - 83 - 3.2/8756=25, 1.8/8754=19...(17) HB3 GLU 122 + QG2 VAL 80 OK 30 100 - 30 - 1.8/8753=10, 3.0/10963=5...(5) HB2 LYS 61 + QG2 VAL 80 OK 22 94 - 24 - 1.8/8752=4, 4.6/8763=3...(9) HB ILE 136 + QG2 VAL 80 OK 19 62 - 30 - 9947=4, 2.5/4638=3...(14) HB3 MET 11 + QG2 VAL 80 OK 12 68 - 18 - 1.8/2427=3, 3.0/8750=2...(5) HG2 PRO 12 + QG2 VAL 80 OK 11 100 - 11 - 9947=1, 1.8/9947=1 HB2 LYS 34 + QG2 VAL 80 OK 10 72 - 14 - 2.9/9948=4, 3.0/8748=3...(4) HB3 PRO 98 - QG2 VAL 80 lone 7 100 - 7 - 4.2/9962=3 HB3 PRO 52 - QG2 VAL 80 lone 4 72 - 5 - HG2 PRO 52 - QG2 VAL 80 lone 4 77 - 5 - Peak 9988 from aliabs.peaks (4.01, 1.83, 30.54 ppm; 4.34 A): 6 out of 30 assignments used, quality = 0.94: HB3 SER 127 + HB VAL 80 OK 57 77 - 74 - 9521/2.1=23...(9) HA LEU 69 + HB3 MET 68 OK 45 65 - 69 - 2.9/6686=17, ~1966=16...(19) HB3 SER 100 + HB VAL 80 OK 33 99 - 34 - ~8762=11, ~9165=8...(8) HA LEU 69 + HB VAL 80 OK 27 100 - 27 - 10963/2.1=8, 2.9/6686=4...(9) HB3 SER 138 + HB2 ARG 141 OK 26 68 - 38 - 3.0/10344=11, ~9717=6...(11) HA GLU 122 + HB VAL 80 OK 25 99 - 25 - 10963/2.1=7, ~8753=6...(6) HB2 SER 138 - HB2 ARG 141 OK 24 64 - 38 - 3.0/10344=11, ~9717=6...(11) HA MET 113 - HB VAL 80 OK 13 85 - 15 - ~9964=4, ~8751=2...(6) HB3 SER 138 - HB VAL 80 OK 11 85 - 13 - 3.0/10469=6, ~9991=4, 9953/2.1=1 HB2 SER 138 - HB VAL 80 OK 10 81 - 13 - 3.0/10469=6, ~9991=4, 9953/2.1=1 HA LYS 114 - HB VAL 80 poor 10 92 - 11 - 10197/4.7=9 HB3 SER 127 - HB3 MET 68 poor 8 43 - 20 - 1.8/10361=5, 4326/3.0=3...(8) HA LEU 69 - HB2 ARG 141 lone 8 87 - 10 - 2.9/6686=4, 4.9/1952=3 HA VAL 63 - HB VAL 80 poor 8 68 - 12 - 10170/3.0=3, 6876/4.7=2...(4) HB2 SER 103 - HB2 ARG 141 lone 8 84 - 9 - 10154/1.8=3, ~10375=2...(4) HA VAL 63 - HB3 MET 68 poor 7 37 - 19 - ~10992=6, ~11478=4...(5) HB2 SER 103 - HB VAL 80 lone 5 99 - 5 - 10147/3.0=2, ~10145=1 HB3 SER 127 - HB2 ARG 141 lone 5 60 - 8 - 10353/4.4=3, 10353/4.0=2...(4) HA GLU 122 - HB3 MET 68 lone 5 63 - 7 - 1999/4.4=4 HB3 SER 100 - HB3 MET 68 lone 4 63 - 6 - 6690/4.4=1 HA LYS 114 - HB3 MET 68 lone 2 55 - 4 - 6690/4.4=1 HB3 SER 138 - HB3 MET 68 lone 2 49 - 4 - 3.0/10344=2, 6690/4.4=1 HB2 SER 138 - HB3 MET 68 lone 2 46 - 4 - 3.0/10344=2, 6690/4.4=1 HA MET 113 - HB3 MET 68 lone 2 49 - 4 - 6690/4.4=2 HA LYS 114 - HB2 ARG 141 lone 2 75 - 3 - HA GLU 122 - HB2 ARG 141 lone 2 84 - 2 - HA VAL 63 - HB2 ARG 141 lone 2 52 - 3 - HB2 SER 103 - HB3 MET 68 lone 1 63 - 2 - HB3 SER 100 - HB2 ARG 141 lone 1 84 - 1 - HA MET 113 - HB2 ARG 141 lone 1 68 - 1 - Peak 9989 from aliabs.peaks (2.30, 0.81, 21.79 ppm; 3.31 A): 5 out of 8 assignments used, quality = 0.73: HG3 GLU 81 + QG1 VAL 80 OK 38 100 - 38 - 2462/4.2=14, 9969=10...(6) HG3 GLU 81 + QD2 LEU 126 OK 24 88 - 27 - 9494/2.1=9, 9969=4...(8) HG3 GLU 120 + QD2 LEU 126 OK 19 82 - 24 - 9494/2.1=6, ~9494=5...(7) HG3 GLU 75 + QD2 LEU 126 OK 17 82 - 20 - 9494/2.1=7, 5.0/6793=3...(8) HG2 GLU 120 + QD2 LEU 126 OK 14 62 - 23 - 9494/2.1=6, ~9494=4...(7) HG3 GLU 75 - QG1 VAL 80 lone 6 96 - 6 - 6880/4.2=1, 8640/10265=1 HG3 GLU 120 - QG1 VAL 80 lone 3 96 - 3 - HG2 GLU 120 - QG1 VAL 80 lone 2 77 - 2 - Peak 9990 from aliabs.peaks (2.45, 0.81, 21.79 ppm; 3.94 A): 4 out of 6 assignments used, quality = 0.87: HG3 GLU 131 + QG1 VAL 80 OK 75 98 - 77 - 8750/2.1=19...(20) HG3 GLU 131 + QD2 LEU 126 OK 30 84 - 36 - 1.8/9559=8, 9562=6...(8) HG2 MET 11 + QG1 VAL 80 OK 14 77 - 17 - 8750/2.1=3, 3.0/2421=2...(7) HG3 GLU 28 + QG1 VAL 80 OK 13 100 - 13 - 8750/2.1=3, 4.9/9961=2 HG3 GLU 28 - QD2 LEU 126 lone 7 87 - 7 - HG2 MET 11 - QD2 LEU 126 lone 4 62 - 6 - ~9495=1 Peak 9991 from aliabs.peaks (3.98, 0.91, 24.85 ppm; 3.57 A): 4 out of 5 assignments used, quality = 0.60: HB3 SER 127 + QG2 VAL 80 OK 44 72 - 61 - 9521=19, 1.8/9520=15...(11) HB2 SER 138 + QG2 VAL 80 OK 12 68 - 17 - 4.0/9702=7, 4.7/9727=2...(4) HB3 SER 138 + QG2 VAL 80 OK 11 62 - 17 - 4.0/9702=7, 4.7/9727=2...(4) HA MET 113 + QG2 VAL 80 OK 11 62 - 17 - ~9964=3, 5.4/9332=3...(7) HA GLU 75 - QG2 VAL 80 lone 6 100 - 6 - 8510/8755=1 Peak 9992 from aliabs.peaks (4.63, 0.91, 24.85 ppm; 5.12 A): 3 out of 6 assignments used, quality = 0.95: HA PRO 129 + QG2 VAL 80 OK 74 100 - 74 - 9952=29, 10276/8764=17...(17) HA ARG 124 + QG2 VAL 80 OK 58 98 - 60 - 9954/2.1=15, ~9476=11...(13) HA GLN 62 + QG2 VAL 80 OK 53 98 - 54 - 3.0/8342=18, ~8759=11...(9) HA LEU 87 - QG2 VAL 80 OK 17 99 - 17 - 3.0/9948=5, 9954/2.1=3...(5) HA ASN 139 - QG2 VAL 80 OK 14 62 - 22 - 3.0/9727=7, 3.6/9738=6...(5) HA ASP 32 - QG2 VAL 80 lone 6 81 - 7 - 3.8/8748=1 Peak 9993 from aliabs.peaks (4.64, 0.81, 21.79 ppm; 3.66 A): 5 out of 12 assignments used, quality = 0.90: HA ARG 124 + QD2 LEU 126 OK 60 73 - 82 - 10342/2.1=18...(25) HA ARG 124 + QG1 VAL 80 OK 40 89 - 45 - 3.6/9490=9, 3.0/9476=8...(12) HA PRO 129 + QG1 VAL 80 OK 31 96 - 32 - 9952/2.1=16, 2.3/8759=5...(6) HA GLN 62 + QG1 VAL 80 OK 28 100 - 28 - 3.0/8759=10, ~8342=6...(6) HA LEU 87 + QD2 LEU 126 OK 17 89 - 19 - ~11673=4, ~6995=3...(5) HA LEU 87 - QG1 VAL 80 lone 9 100 - 9 - ~9948=2, 4.3/8760=1, 9992/2.1=1 HA PRO 129 - QD2 LEU 126 poor 8 82 - 10 - 10342/2.1=2, 9952/2428=1 HA GLN 62 - QD2 LEU 126 lone 5 88 - 5 - 3.0/8759=2 HA ASN 139 - QG1 VAL 80 lone 4 81 - 5 - ~9727=2, 9992/2.1=1 HA ASP 32 - QG1 VAL 80 lone 2 94 - 2 - HA ASN 139 - QD2 LEU 126 lone 1 66 - 1 - HA ASP 32 - QD2 LEU 126 lone 1 79 - 1 - Peak 9994 from aliabs.peaks (3.51, 1.74, 29.11 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.79: HA2 GLY 77 + HB2 GLU 81 OK 79 85 - 93 - 8769/3.0=30, 8771/3.0=30...(20) HA2 GLY 77 - HD2 LYS 36 poor 6 51 - 12 - 8771/2446=2, 8685=2...(6) Peak 9995 from aliabs.peaks (0.81, 2.15, 35.27 ppm; 6.10 A): 3 out of 5 assignments used, quality = 0.96: QG1 VAL 80 + HG2 GLU 81 OK 78 100 - 78 - 4.2/2455=39, 9969/1.8=30...(8) QD2 LEU 126 + HG2 GLU 81 OK 66 100 - 66 - ~9494=16, 9969/1.8=16...(11) QD1 LEU 79 + HG2 GLU 81 OK 52 85 - 61 - 9968=13, ~8786=11...(14) QG2 THR 74 - HG2 GLU 81 OK 25 89 - 28 - 9968=6, 8687/8769=4...(8) QD2 LEU 95 - HG2 GLU 81 OK 15 77 - 19 - 9968=4, 9934/4.9=2...(6) Peak 9996 from aliabs.peaks (0.79, 2.29, 35.27 ppm; 5.41 A): 6 out of 6 assignments used, quality = 0.90: QD1 LEU 79 + HG3 GLU 81 OK 49 94 - 52 - 3.1/8786=12, 2.1/8787=10...(10) QG1 VAL 80 + HG3 GLU 81 OK 39 62 - 62 - 4.2/2462=34, 9968/1.8=11...(8) QD2 LEU 126 + HG3 GLU 81 OK 28 62 - 45 - 2.1/9494=17, 9968/1.8=10...(10) QD2 LEU 72 + HG3 GLU 81 OK 28 100 - 28 - 5.0/9967=9, 3.9/11519=5...(6) QG2 THR 74 + HG3 GLU 81 OK 26 92 - 28 - 9968/1.8=5, 8687/8771=4...(12) QD2 LEU 95 + HG3 GLU 81 OK 16 98 - 16 - 8784/3.0=3, 9968/1.8=3...(5) Peak 9997 from aliabs.peaks (0.80, 4.03, 58.92 ppm; 4.54 A): 4 out of 12 assignments used, quality = 0.93: QG1 VAL 80 + HA GLU 81 OK 78 100 - 78 - 2424/2.9=27, ~2430=19...(15) QD2 LEU 126 + HA GLU 81 OK 36 100 - 36 - 6874/2.9=9, 9989/3.7=7...(7) QD1 LEU 79 + HA GLU 81 OK 33 98 - 34 - 9934/2.9=9, 9968/3.7=7...(7) QG1 VAL 80 + HA GLU 37 OK 23 72 - 32 - 9960/3.6=19, 4.2/2431=6...(5) QG2 THR 74 - HA GLU 81 OK 15 99 - 15 - 9968/3.7=3, 10944/3.6=2...(7) QD2 LEU 95 - HA GLU 81 OK 13 94 - 13 - 10944/3.6=3, 9934/2.9=2...(6) QD2 LEU 126 - HA GLU 37 OK 10 72 - 14 - 9960/3.6=9 QD2 LEU 72 - HA GLU 81 poor 9 72 - 12 - 9996/3.7=2, 5.0/756=2...(5) QD2 LEU 72 - HA GLU 37 poor 6 46 - 13 - ~9959=5, 2141/6273=1...(4) QD1 LEU 79 - HA GLU 37 lone 4 69 - 5 - QG2 THR 74 - HA GLU 37 lone 2 70 - 3 - QD2 LEU 95 - HA GLU 37 lone 1 64 - 2 - Peak 9998 from aliabs.peaks (7.22, -1.11, 18.38 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.61: H GLU 37 + QG1 VAL 82 OK 47 89 - 53 - 8993/11029=12...(11) QD PHE 45 + QG1 VAL 82 OK 26 94 - 28 - 8993/11029=7...(6) Peak 9999 from aliabs.peaks (7.30, 0.44, 24.59 ppm; 5.09 A): 3 out of 3 assignments used, quality = 0.75: QD TYR 115 + QG2 VAL 82 OK 44 96 - 45 - 2.2/10000=18...(10) H PHE 67 + QG2 VAL 82 OK 41 100 - 41 - 4.6/2491=12...(11) H ASP 30 + QG2 VAL 82 OK 27 100 - 26 - 4.8/10010=5, 6137/3.2=3...(12) Peak 10000 from aliabs.peaks (7.18, 0.44, 24.59 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.78: QE TYR 115 + QG2 VAL 82 OK 54 100 - 54 - 2.2/9999=15...(16) H LYS 36 + QG2 VAL 82 OK 31 85 - 37 - 3.9/8801=8, 9975/2.1=5...(11) QD TYR 27 + QG2 VAL 82 OK 30 94 - 32 - 9975/2.1=9, ~4791=5...(10) Peak 10001 from aliabs.peaks (8.01, 0.44, 24.59 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.95: H VAL 73 + QG2 VAL 82 OK 95 100 - 95 - 3.0/8583=39, 4.0/8585=36...(20) Peak 10002 from aliabs.peaks (8.25, 0.44, 24.59 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.59: H THR 74 + QG2 VAL 82 OK 59 62 - 94 - 3.6/8583=44, 4.4/8585=43...(14) Peak 10003 from aliabs.peaks (8.36, 0.44, 24.59 ppm; 5.27 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10004 from aliabs.peaks (6.52, -1.11, 18.38 ppm; 6.68 A): 1 out of 1 assignment used, quality = 0.89: HZ3 TRP 88 + QG1 VAL 82 OK 89 94 - 95 - 2.4/9985=50, 5.9/8830=35...(13) Peak 10005 from aliabs.peaks (6.44, -1.11, 18.38 ppm; 5.76 A): 1 out of 1 assignment used, quality = 0.61: HH2 TRP 88 + QG1 VAL 82 OK 61 68 - 91 - 2.4/9984=46, 2.5/8828=36...(11) Peak 10006 from aliabs.peaks (3.13, 0.44, 24.59 ppm; 3.68 A): 4 out of 4 assignments used, quality = 0.92: HA VAL 80 + QG2 VAL 82 OK 72 100 - 72 - 9987=26, 3.6/8776=21...(12) HA LEU 79 + QG2 VAL 82 OK 64 96 - 66 - 8794/2.1=21...(12) HB3 PHE 106 + QG2 VAL 82 OK 14 81 - 17 - ~8825=4, 2478/2.1=2...(7) HB2 TYR 70 + QG2 VAL 82 OK 12 68 - 18 - 3.6/11597=6, 9987=6...(4) Peak 10007 from aliabs.peaks (2.39, -1.11, 18.38 ppm; 5.34 A): 5 out of 6 assignments used, quality = 0.95: HB ILE 91 + QG1 VAL 82 OK 80 81 - 98 - 3.2/11029=48...(16) HG3 GLU 37 + QG1 VAL 82 OK 30 77 - 39 - 4.4/9998=18, 10310=8...(9) HG2 MET 59 + QG1 VAL 82 OK 29 100 - 29 - 9265/8810=6, 3.0/8806=3...(11) HG3 MET 59 + QG1 VAL 82 OK 28 96 - 29 - 9265/8810=6, 3.0/8806=3...(11) HG2 MET 46 + QG1 VAL 82 OK 26 98 - 26 - 10707/11028=7...(10) HG3 GLN 25 - QG1 VAL 82 OK 23 96 - 24 - ~11597=7, 10937/11026=4...(7) Peak 10008 from aliabs.peaks (2.27, 0.44, 24.59 ppm; 4.63 A): 8 out of 9 assignments used, quality = 0.83: HB3 MET 113 + QG2 VAL 82 OK 49 100 - 49 - 3.0/9320=16, 9324=15...(6) HG3 PRO 129 + QG2 VAL 82 OK 20 92 - 22 - 9527/3.2=4, ~10275=3...(6) HG2 GLU 90 + QG2 VAL 82 OK 16 100 - 17 - 10073/8803=3...(5) HG2 GLU 120 + QG2 VAL 82 OK 15 77 - 20 - 9494/10339=3...(7) HG2 GLN 62 + QG2 VAL 82 OK 13 85 - 15 - 6892/3.2=2, 3.9/8822=2...(6) HG2 GLU 131 + QG2 VAL 82 OK 13 100 - 13 - 4.2/8821=2, 10406/8655=1 HG3 GLU 90 + QG2 VAL 82 OK 11 68 - 16 - 9807/8882=5...(3) HG3 GLN 62 + QG2 VAL 82 OK 11 81 - 13 - 3.9/8822=2, ~6892=2...(5) HG3 GLU 142 - QG2 VAL 82 lone 7 100 - 7 - Peak 10009 from aliabs.peaks (0.12, 2.99, 66.39 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 73 + HA VAL 82 OK 99 100 - 100 - 8585/3.2=48...(25) Peak 10010 from aliabs.peaks (0.93, 0.44, 24.59 ppm; 4.04 A): 4 out of 5 assignments used, quality = 0.94: HB2 LEU 108 + QG2 VAL 82 OK 81 100 - 81 - 1.8/8800=32, 3.2/8798=25...(17) HB2 LEU 64 + QG2 VAL 82 OK 42 92 - 46 - 1.8/8880=11, ~8881=7...(14) QD2 LEU 29 + QG2 VAL 82 OK 33 100 - 33 - 8074/9943=5, 4.8/9999=4...(12) QG1 VAL 63 + QG2 VAL 82 OK 27 98 - 27 - 3.2/8820=4, 8811/2.1=4...(9) QG1 VAL 53 - QG2 VAL 82 OK 20 85 - 23 - 8237/10000=4, 2.1/8802=4...(6) Peak 10011 from aliabs.peaks (-1.12, 3.67, 64.81 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 82 + HA ILE 83 OK 95 96 - 99 - 8824=44, 6907/2.9=42...(24) Peak 10012 from aliabs.peaks (-1.12, 0.86, 16.44 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 82 + QG2 ILE 83 OK 97 100 - 98 - 9988/3.2=41, 6907/3.9=39...(32) Peak 10013 from aliabs.peaks (1.38, 3.67, 64.81 ppm; 4.16 A): 5 out of 7 assignments used, quality = 0.96: HB VAL 82 + HA ILE 83 OK 60 68 - 89 - 2.1/9988=35, ~6907=20...(16) HB3 LEU 39 + HA ILE 83 OK 54 100 - 54 - 10660/3.2=9, 3.2/2503=7...(21) HG LEU 132 + HA ILE 83 OK 48 100 - 48 - 10660/3.2=10, 6906/2.9=6...(17) HB3 ARG 49 + HA ILE 83 OK 32 72 - 45 - 11136/3.8=11...(16) HG2 LYS 86 + HA ILE 83 OK 31 72 - 43 - 4.9/10048=11...(13) HB2 LEU 69 - HA ILE 83 OK 31 96 - 32 - 4.6/10774=11...(10) HB2 ARG 109 - HA ILE 83 OK 25 77 - 32 - 3.6/10035=7, 9273/4.2=5...(10) Peak 10014 from aliabs.peaks (1.52, 3.67, 64.81 ppm; 4.23 A): 5 out of 7 assignments used, quality = 0.65: HG3 LYS 85 + HA ILE 83 OK 29 85 - 34 - 1.8/2501=7, 10015/3.0=7...(9) HG3 PRO 57 + HA ILE 83 OK 21 100 - 21 - 10015/3.0=5, 9998/3.2=4...(8) HG3 LYS 76 + HA ILE 83 OK 20 68 - 29 - 10015/3.0=5, 10002/4.2=4...(11) HB2 LYS 123 + HA ILE 83 OK 13 98 - 13 - 10015/3.0=2, 10002/4.2=2...(5) HG2 LYS 34 + HA ILE 83 OK 11 77 - 15 - 5.0/2504=6, 515/3.6=5...(4) HB2 LEU 29 - HA ILE 83 poor 7 62 - 11 - 2.9/10011=3, 10015/3.0=2...(5) HB2 GLU 122 - HA ILE 83 lone 6 85 - 7 - 4.0/11148=2, 10015/3.0=1 Peak 10015 from aliabs.peaks (1.52, 1.77, 38.66 ppm; 5.00 A): 6 out of 7 assignments used, quality = 0.90: HG3 LYS 85 + HB ILE 83 OK 53 94 - 56 - 10014/3.0=11, 9994=8...(14) HG3 LYS 76 + HB ILE 83 OK 41 81 - 51 - 10014/3.0=7, ~11136=7...(14) HG3 PRO 57 + HB ILE 83 OK 38 100 - 38 - 10014/3.0=8, ~10659=7...(11) HB2 LYS 123 + HB ILE 83 OK 19 92 - 20 - 10014/3.0=5, ~9999=3...(6) HB2 LEU 29 + HB ILE 83 OK 15 77 - 19 - 10014/3.0=3, 9994=3...(8) HG2 LYS 34 + HB ILE 83 OK 13 62 - 21 - 5.0/2513=9, 10014/3.0=4...(5) HB2 GLU 122 - HB ILE 83 lone 8 94 - 9 - 10014/3.0=2, 8745/2412=2 Peak 10016 from aliabs.peaks (0.56, 1.77, 38.66 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.75: QD1 LEU 42 + HB ILE 83 OK 44 89 - 49 - 949/2.1=8, ~957=6...(22) QG2 ILE 58 + HB ILE 83 OK 40 77 - 51 - 10024/3.2=17, 9997=8...(16) QD1 ILE 58 + HB ILE 83 OK 26 62 - 42 - ~10024=11, 3.1/9997=6...(16) Peak 10017 from aliabs.peaks (1.53, 0.86, 16.44 ppm; 2.76 A): 4 out of 8 assignments used, quality = 0.63: QB ALA 135 + QG2 ILE 83 OK 35 96 - 36 - 10317/3.1=8, 9643/2.1=7...(8) HG3 LYS 85 + QG2 ILE 83 OK 21 100 - 21 - 1.8/2518=4, 2619/3.2=3...(9) HG3 LYS 76 + QG2 ILE 83 OK 16 100 - 16 - 10002/3.1=3, 3.0/10660=2...(6) HD2 LYS 76 + QG2 ILE 83 OK 15 77 - 19 - 1.8/10660=3, 10002/3.1=3...(6) HG2 LYS 93 - QG2 ILE 83 poor 9 92 - 10 - 10002/3.1=2, 9994/2.1=1 HG3 PRO 57 - QG2 ILE 83 poor 9 72 - 13 - 2.3/10659=4, 10002/3.1=1...(6) HB2 LEU 29 - QG2 ILE 83 lone 7 100 - 7 - HB2 GLU 122 - QG2 ILE 83 lone 3 100 - 3 - Peak 10018 from aliabs.peaks (0.41, 0.68, 15.18 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.71: QD2 LEU 132 + QD1 ILE 83 OK 71 100 - 71 - 2.1/10004=16...(30) Peak 10019 from aliabs.peaks (0.10, 0.68, 15.18 ppm; 5.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10020 from aliabs.peaks (-1.12, 0.68, 15.18 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 82 + QD1 ILE 83 OK 90 100 - 90 - 9989/3.1=31, 6907/4.5=27...(21) Peak 10021 from aliabs.peaks (1.00, 0.68, 15.18 ppm; 3.88 A): 2 out of 2 assignments used, quality = 0.77: HG12 ILE 136 + QD1 ILE 83 OK 53 96 - 55 - 1.8/10023=8...(25) QD1 LEU 116 + QD1 ILE 83 OK 50 85 - 59 - 2.1/10005=12, 2.1/3897=8...(20) Peak 10022 from aliabs.peaks (1.55, 0.68, 15.18 ppm; 3.07 A): 6 out of 9 assignments used, quality = 0.91: HB3 LEU 79 + QD1 ILE 83 OK 54 100 - 54 - 4.1/10028=7, 3.0/10008=6...(32) QB ALA 135 + QD1 ILE 83 OK 46 89 - 51 - 10317=17, 9998/3.1=7...(17) HD2 LYS 76 + QD1 ILE 83 OK 31 100 - 31 - 10002=7, ~11136=4...(10) HG2 ARG 109 + QD1 ILE 83 OK 25 62 - 40 - 3.0/10030=14...(11) HG3 LYS 76 + QD1 ILE 83 OK 17 68 - 25 - 10002=4, 3.0/10002=4...(8) HG2 LYS 93 + QD1 ILE 83 OK 16 94 - 17 - 10002=4, 9998/3.1=2...(5) HB2 LEU 29 - QD1 ILE 83 lone 4 72 - 6 - 10002=1, 9998/3.1=1 HG3 ARG 55 - QD1 ILE 83 lone 4 85 - 5 - 9995/4.5=1 HG2 ARG 55 - QD1 ILE 83 lone 3 77 - 4 - 9995/4.5=1 Peak 10023 from aliabs.peaks (1.66, 0.68, 15.18 ppm; 3.63 A): 5 out of 13 assignments used, quality = 0.91: HB2 LEU 95 + QD1 ILE 83 OK 58 100 - 59 - 3131/3.2=7, 11042/3.1=7...(29) HG13 ILE 136 + QD1 ILE 83 OK 52 99 - 53 - 1.8/10021=17, 2.9/2543=4...(22) HG2 ARG 140 + QD1 ILE 83 OK 28 92 - 30 - 10659/3.1=3, 1.8/2540=3...(12) HG2 ARG 89 + QD1 ILE 83 OK 26 100 - 27 - ~8950=7, 11042/3.1=4...(7) HB VAL 71 + QD1 ILE 83 OK 17 100 - 18 - 2.1/10004=4, 11042/3.1=1...(10) HB2 PRO 57 - QD1 ILE 83 OK 16 98 - 17 - 2.3/10002=3, ~10015=2...(7) HD3 LYS 93 - QD1 ILE 83 OK 15 100 - 15 - 3.0/10002=3, 11137/2.1=1 HG2 ARG 124 - QD1 ILE 83 OK 13 92 - 14 - 3.0/10009=3, ~11138=2...(5) HB2 ARG 145 - QD1 ILE 83 OK 12 96 - 12 - 3.4/10008=3, 3.4/10029=3 HB2 MET 68 - QD1 ILE 83 lone 8 89 - 9 - HB2 LYS 114 - QD1 ILE 83 lone 6 77 - 8 - 4.9/10028=1, 4.6/11111=1...(4) HD2 LYS 48 - QD1 ILE 83 lone 4 100 - 4 - HD3 LYS 48 - QD1 ILE 83 lone 3 85 - 3 - Peak 10024 from aliabs.peaks (0.57, 0.68, 15.18 ppm; 3.08 A): 0 out of 1 assignment used, low quality = 0.34: QG2 ILE 58 - QD1 ILE 83 OK 34 100 - 34 - 8273/2.1=7, 9997/3.2=4...(13) Peak 10025 from aliabs.peaks (1.38, 0.68, 15.18 ppm; 3.46 A): 4 out of 7 assignments used, quality = 0.96: HG LEU 132 + QD1 ILE 83 OK 65 94 - 69 - 2.1/10018=29...(27) HB VAL 82 + QD1 ILE 83 OK 62 94 - 66 - 2.1/10020=21, ~9989=11...(16) HB3 LEU 39 + QD1 ILE 83 OK 48 92 - 52 - 10660/3.1=5, 1.8/834=5...(28) HB2 ARG 109 + QD1 ILE 83 OK 44 98 - 45 - 3.6/10030=16...(13) HG2 LYS 86 - QD1 ILE 83 OK 34 96 - 36 - 2705/2.1=5, 11043/3.1=4...(15) HG2 ARG 49 - QD1 ILE 83 OK 28 77 - 37 - 1.8/10003=6, ~11136=6...(15) HB2 LEU 69 - QD1 ILE 83 OK 19 100 - 19 - 11043/3.1=2, 10760/2.1=2...(7) Peak 10026 from aliabs.peaks (2.81, 0.86, 16.44 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.59: HB3 ASN 139 + QG2 ILE 83 OK 52 98 - 53 - 1.8/9729=19...(9) HB3 ASP 41 + QG2 ILE 83 OK 14 85 - 16 - 3.8/10777=4, ~10018=3...(8) HE3 LYS 114 - QG2 ILE 83 lone 7 81 - 8 - 4.9/10659=1, 3.0/11043=1 HB2 ASN 128 - QG2 ILE 83 lone 4 98 - 4 - HB2 ASN 130 - QG2 ILE 83 lone 1 68 - 1 - Peak 10027 from aliabs.peaks (3.13, 0.86, 16.44 ppm; 3.54 A): 3 out of 6 assignments used, quality = 0.81: HA VAL 80 + QG2 ILE 83 OK 65 100 - 65 - 2412/2.1=15, 8742/3.1=14...(15) HA LEU 79 + QG2 ILE 83 OK 39 89 - 44 - 10008/3.1=8, 2505/2.1=6...(15) HB3 ASN 96 + QG2 ILE 83 OK 12 68 - 18 - 1.8/10100=3, 4.7/7159=3...(6) HD3 ARG 145 - QG2 ILE 83 poor 9 68 - 14 - 10029/3.1=2, ~10035=2...(6) HB3 PHE 106 - QG2 ILE 83 lone 9 92 - 10 - 2505/2.1=2, 6900/3.9=1...(4) HD2 ARG 145 - QG2 ILE 83 poor 8 62 - 13 - 10029/3.1=2, ~10029=1...(6) Peak 10028 from aliabs.peaks (2.77, 0.68, 15.18 ppm; 4.81 A): 4 out of 6 assignments used, quality = 0.52: HE3 LYS 76 + QD1 ILE 83 OK 21 68 - 31 - ~11136=8, 3.0/10022=7...(8) HB2 ASP 41 + QD1 ILE 83 OK 16 100 - 16 - ~10006=7, ~10026=5, 4.5/10734=3 HB2 PHE 38 + QD1 ILE 83 OK 16 89 - 18 - 8108/10019=7...(3) HB3 TYR 119 + QD1 ILE 83 OK 13 96 - 14 - 9435/3.1=4, 1.8/10711=3...(4) HE2 LYS 114 - QD1 ILE 83 poor 8 77 - 11 - ~10026=3, 3.0/10005=2, ~11043=1 HG3 GLN 111 - QD1 ILE 83 lone 2 89 - 2 - Peak 10029 from aliabs.peaks (3.12, 0.68, 15.18 ppm; 3.27 A): 5 out of 6 assignments used, quality = 0.81: HA VAL 80 + QD1 ILE 83 OK 49 81 - 60 - 8742=13, 3.2/9984=11...(17) HD2 ARG 109 + QD1 ILE 83 OK 44 92 - 48 - 1.8/10030=21, ~11060=7...(13) HB3 ASN 96 + QD1 ILE 83 OK 13 99 - 13 - 9078/3.1=3, ~9084=2...(4) HD3 ARG 145 + QD1 ILE 83 OK 13 99 - 13 - 10007/3.1=2...(3) HD2 ARG 145 + QD1 ILE 83 OK 13 98 - 13 - 10007/3.1=2...(3) HB3 PHE 106 - QD1 ILE 83 lone 8 100 - 8 - 6900/4.5=1 Peak 10030 from aliabs.peaks (3.33, 0.68, 15.18 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.61: HD3 ARG 109 + QD1 ILE 83 OK 61 96 - 64 - 10009=21, 11060/3.1=15...(12) HD2 ARG 124 - QD1 ILE 83 poor 8 62 - 13 - 10009=4, 6.2/10027=2...(4) HB3 PHE 38 - QD1 ILE 83 poor 8 72 - 10 - 1.8/10028=5, 4.4/6268=3 Peak 10031 from aliabs.peaks (4.08, 0.68, 15.18 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.82: HA LEU 132 + QD1 ILE 83 OK 65 96 - 68 - 3.8/10018=33...(18) HA LYS 34 + QD1 ILE 83 OK 35 89 - 39 - 3.0/2545=12, ~10022=6...(11) HD3 PRO 118 + QD1 ILE 83 OK 20 96 - 21 - 4.8/7452=3, 4503/10018=2...(6) HA GLU 90 - QD1 ILE 83 lone 9 96 - 9 - 4503/10018=2, 4586/10443=1 HA VAL 53 - QD1 ILE 83 lone 8 100 - 8 - 4503/10018=3, 4511/10004=1 HD3 PRO 33 - QD1 ILE 83 lone 5 81 - 7 - 6162/2545=3, 441/2545=2 Peak 10033 from aliabs.peaks (3.97, 3.67, 64.81 ppm; 4.97 A): 0 out of 6 assignments used, low quality = 0.29: HA3 GLY 94 - HA ILE 83 OK 19 68 - 28 - 3.5/8833=16, 9066/9067=3...(5) HA GLU 75 - HA ILE 83 OK 13 89 - 14 - ~11680=4, 8421/8451=3...(5) HA LYS 48 - HA ILE 83 poor 10 92 - 11 - 10011=3, 8825/9988=3 HA3 GLY 143 - HA ILE 83 lone 6 85 - 7 - 1.8/10011=2, 9754/9061=1 HA ALA 60 - HA ILE 83 lone 5 68 - 7 - ~8319=2, 8825/9988=1 HB3 SER 103 - HA ILE 83 lone 4 89 - 5 - Peak 10034 from aliabs.peaks (3.30, 3.67, 64.81 ppm; 6.67 A): 3 out of 3 assignments used, quality = 0.74: HB2 TRP 88 + HA ILE 83 OK 57 72 - 79 - 5.3/8832=43...(7) HB3 TRP 17 + HA ILE 83 OK 28 85 - 32 - 6.4/4684=22, 11138/3.8=5...(5) HD2 ARG 124 + HA ILE 83 OK 18 68 - 26 - 11138/3.8=11, ~10659=5...(4) Peak 10035 from aliabs.peaks (3.10, 3.67, 64.81 ppm; 4.83 A): 6 out of 6 assignments used, quality = 0.78: HD2 ARG 109 + HA ILE 83 OK 40 92 - 44 - ~11060=16, 10008/4.2=11...(10) HB3 ASN 96 + HA ILE 83 OK 30 77 - 40 - 3.9/9086=12, ~9084=5...(10) HD2 ARG 145 + HA ILE 83 OK 17 81 - 21 - 10008/4.2=3, ~10007=2...(10) HD3 ARG 145 + HA ILE 83 OK 15 77 - 19 - 10008/4.2=3, ~10007=2...(9) HA ALA 105 + HA ILE 83 OK 15 100 - 15 - 10008/4.2=2, 9126/9124=2...(7) HA TYR 119 + HA ILE 83 OK 14 100 - 14 - 8917/8914=3, ~9435=3 Peak 10036 from aliabs.peaks (4.26, 0.86, 16.44 ppm; 4.02 A): 4 out of 8 assignments used, quality = 0.95: HA ALA 135 + QG2 ILE 83 OK 67 100 - 67 - 2.1/10017=14...(19) HA LEU 95 + QG2 ILE 83 OK 52 77 - 67 - 9061/3.2=15, 3.0/11042=9...(18) HB THR 92 + QG2 ILE 83 OK 47 77 - 62 - 2.1/9027=15, 3.0/2515=11...(17) HA SER 138 + QG2 ILE 83 OK 42 98 - 43 - 4.8/10363=12...(9) HA ARG 49 - QG2 ILE 83 OK 35 98 - 36 - 3.0/10660=6, ~11136=6...(12) HB THR 99 - QG2 ILE 83 lone 8 98 - 8 - 10162/9027=2 HA2 GLY 50 - QG2 ILE 83 lone 7 89 - 8 - 8230/8950=2 HA GLU 142 - QG2 ILE 83 lone 1 68 - 2 - Peak 10037 from aliabs.peaks (4.44, 0.86, 16.44 ppm; 3.67 A): 3 out of 4 assignments used, quality = 0.87: HA ASN 84 + QG2 ILE 83 OK 76 99 - 77 - 8855=25, 2.9/2521=21...(18) HA ILE 58 + QG2 ILE 83 OK 40 100 - 41 - ~10024=10, ~10016=5...(14) HA ASP 40 + QG2 ILE 83 OK 13 72 - 18 - 3.6/10777=5, 6929/4.3=3...(6) HB THR 18 - QG2 ILE 83 lone 2 100 - 2 - Peak 10038 from aliabs.peaks (4.27, 0.68, 15.18 ppm; 4.92 A): 3 out of 6 assignments used, quality = 0.93: HA LEU 95 + QD1 ILE 83 OK 74 100 - 74 - 9061/4.2=28, 3123/3.2=13...(15) HA ALA 135 + QD1 ILE 83 OK 55 81 - 67 - 2.1/10443=23...(12) HA ARG 49 + QD1 ILE 83 OK 44 98 - 45 - ~11136=12, 3.9/10005=7...(11) HA SER 138 - QD1 ILE 83 OK 24 98 - 25 - 10014/3.1=7, ~9723=6...(7) HA3 GLY 78 - QD1 ILE 83 lone 9 94 - 10 - 8712/10000=4, ~8697=1 HB THR 99 - QD1 ILE 83 lone 5 98 - 5 - 10014/3.1=1 Peak 10039 from aliabs.peaks (6.84, 0.68, 15.18 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.85: HZ2 TRP 88 + QD1 ILE 83 OK 82 100 - 82 - 2.8/10024=26...(17) QD PHE 67 + QD1 ILE 83 OK 19 100 - 19 - 10782/3.1=4, 4.3/6652=3...(7) Peak 10040 from aliabs.peaks (3.68, 4.43, 55.60 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.96: HA ILE 83 + HA ASN 84 OK 96 96 - 100 - 4.8=100 Peak 10041 from aliabs.peaks (4.06, 4.43, 55.60 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.72: HD2 PRO 33 + HA ASN 84 OK 53 99 - 54 - 433/2.9=16, ~441=12...(10) HA GLN 25 + HA ASN 84 OK 39 100 - 39 - 10771/4.5=23...(4) HA LEU 26 - HA ASN 84 lone 8 98 - 8 - 482/2.9=2, 8282/1554=2...(4) HA LYS 24 - HA ASN 84 lone 3 98 - 3 - Peak 10042 from aliabs.peaks (1.53, 4.43, 55.60 ppm; 4.83 A): 3 out of 9 assignments used, quality = 0.93: HG3 LYS 85 + HA ASN 84 OK 66 100 - 66 - 2615/3.6=25, ~10044=21...(12) QB ALA 135 + HA ASN 84 OK 64 89 - 73 - 9659/4.5=26...(12) HG3 LYS 76 + HA ASN 84 OK 41 99 - 42 - 10044/3.0=6, 6962/3.6=5...(14) HD2 LYS 76 - HA ASN 84 OK 21 62 - 33 - 1.8/8854=4, 6962/3.6=4...(14) HB2 LEU 29 - HA ASN 84 OK 18 98 - 18 - ~10533=3, 10044/3.0=3...(8) HG2 LYS 93 - HA ASN 84 OK 17 81 - 21 - 6962/3.6=6, 9042/4.8=3...(10) HB2 LYS 123 - HA ASN 84 OK 16 62 - 25 - 3.0/10033=3, 10044/3.0=3...(10) HG3 PRO 57 - HA ASN 84 OK 13 85 - 15 - 10014/4.8=4, 6962/3.6=2...(5) HB2 GLU 122 - HA ASN 84 lone 6 100 - 6 - 10044/3.0=1, 9993/4.8=1 Peak 10043 from aliabs.peaks (1.54, 2.72, 37.77 ppm; 5.44 A): 3 out of 8 assignments used, quality = 0.96: QB ALA 135 + HB2 ASN 84 OK 86 100 - 87 - 9659/3.5=44...(10) HG3 LYS 85 + HB2 ASN 84 OK 54 94 - 57 - 5.1/6954=27...(8) HG3 LYS 76 + HB2 ASN 84 OK 37 100 - 37 - 8845/3.5=6, 8856/4.0=6...(10) HD2 LYS 76 - HB2 ASN 84 OK 34 92 - 37 - 8845/3.5=5, ~10044=5...(11) HB2 LEU 29 - HB2 ASN 84 OK 19 100 - 19 - ~10533=5, 10044/1.8=3...(7) HG2 LYS 93 - HB2 ASN 84 OK 19 99 - 19 - 6962/4.7=5, 10034/3.0=3...(7) HB2 GLU 122 - HB2 ASN 84 lone 9 94 - 10 - 4.0/7511=3, 10044/1.8=1 HB3 LEU 79 - HB2 ASN 84 poor 8 72 - 10 - 8856/4.0=6, 3.1/8852=2 Peak 10044 from aliabs.peaks (1.53, 2.79, 37.77 ppm; 4.80 A): 6 out of 8 assignments used, quality = 0.89: QB ALA 135 + HB3 ASN 84 OK 51 77 - 67 - 9659/3.5=25...(8) HG3 LYS 85 + HB3 ASN 84 OK 49 100 - 49 - 5.1/6955=21, 10034/3.0=9...(9) HG3 LYS 76 + HB3 ASN 84 OK 33 94 - 35 - 10042/3.0=5, 8845/3.5=5...(11) HB2 LYS 123 + HB3 ASN 84 OK 17 77 - 21 - 3.0/2561=4, ~2553=3...(8) HB2 LEU 29 + HB3 ASN 84 OK 15 92 - 16 - 3.0/10533=5, 10034/3.0=2...(6) HG3 PRO 57 + HB3 ASN 84 OK 10 94 - 11 - 10034/3.0=2, 6962/4.7=2...(5) HG2 LYS 93 - HB3 ASN 84 poor 9 68 - 14 - 6962/4.7=4, 10034/3.0=2...(6) HB2 GLU 122 - HB3 ASN 84 lone 7 100 - 7 - 4064/3983=2 Peak 10045 from aliabs.peaks (0.84, 2.79, 37.77 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.70: QD1 LEU 95 + HB3 ASN 84 OK 48 77 - 63 - 8849/3.5=29, 8847/3.5=25...(9) QD2 LEU 97 + HB3 ASN 84 OK 42 89 - 47 - 8855/3.0=43, 6925/4.0=3 Peak 10046 from aliabs.peaks (0.72, 1.72, 31.43 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 87 + HB2 LYS 85 OK 94 100 - 94 - 10038=24, 10039/1.8=18...(26) QD2 LEU 87 + HB2 LYS 85 OK 72 77 - 93 - 10038=23, 10039/1.8=19...(29) Peak 10047 from aliabs.peaks (0.71, 1.86, 31.43 ppm; 3.79 A): 3 out of 6 assignments used, quality = 0.98: QD2 LEU 87 + HB3 LYS 85 OK 91 100 - 91 - 10038/1.8=19...(27) QD1 LEU 87 + HB3 LYS 85 OK 61 72 - 84 - 10048/3.0=15...(25) QD2 LEU 87 + HB3 LYS 76 OK 55 64 - 86 - 8665/3.5=26, 8662/3.5=15...(27) QD1 LEU 87 - HB3 LYS 76 OK 28 39 - 72 - 8652/2.9=12, 8662/3.5=12...(19) QD2 LEU 39 - HB3 LYS 85 lone 3 62 - 5 - QD2 LEU 39 - HB3 LYS 76 lone 2 33 - 5 - 8665/3.5=2 Peak 10048 from aliabs.peaks (0.72, 1.33, 25.93 ppm; 3.22 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 87 + HG2 LYS 85 OK 76 98 - 78 - 10049/1.8=14...(29) QD1 LEU 87 + HG2 LYS 85 OK 68 94 - 72 - 10049/1.8=13...(24) Peak 10049 from aliabs.peaks (0.72, 1.53, 25.93 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 87 + HG3 LYS 85 OK 88 98 - 90 - 10048/1.8=23...(30) QD1 LEU 87 + HG3 LYS 85 OK 80 94 - 85 - 10048/1.8=21...(24) Peak 10050 from aliabs.peaks (2.74, 1.57, 28.74 ppm; 5.04 A): 9 out of 16 assignments used, quality = 0.81: HE2 LYS 76 + HD2 LYS 85 OK 29 68 - 43 - ~8864=5, 3.9/2631=4...(22) HG3 MET 113 + HD2 LYS 85 OK 19 96 - 19 - 8864/3.0=6, 3.3/9336=3...(7) HB3 ASP 40 + HD2 LYS 85 OK 19 81 - 23 - 8862/5.2=5, 1.8/9740=4...(9) HE2 LYS 76 + HD3 LYS 85 OK 17 42 - 41 - ~8864=5, ~2311=3...(22) HB2 ASN 54 + HD2 LYS 85 OK 17 100 - 17 - 8864/3.0=6, 8862/5.2=4...(4) HG3 MET 113 + HD3 LYS 85 OK 13 67 - 19 - 8864/3.0=6, 8862/5.2=3...(7) HB2 ASN 96 + HD2 LYS 85 OK 12 100 - 12 - 8864/3.0=7, 8862/5.2=4 HB2 ASN 54 + HD3 LYS 85 OK 12 73 - 16 - 8864/3.0=6, 8862/5.2=4...(4) HB3 ASP 40 + HD3 LYS 85 OK 11 53 - 22 - 8862/5.2=5, ~9740=4...(9) HB2 ASN 96 - HD3 LYS 85 poor 9 73 - 12 - 8864/3.0=7, 8862/5.2=4 HB3 PHE 43 - HD2 LYS 85 lone 6 100 - 6 - 8864/3.0=2, 8862/5.2=2 HB3 PHE 43 - HD3 LYS 85 lone 4 72 - 5 - 8864/3.0=2, 8862/5.2=2 HB3 TYR 70 - HD2 LYS 85 lone 3 68 - 4 - 8864/3.0=2 HB3 TYR 70 - HD3 LYS 85 lone 2 42 - 4 - 8864/3.0=2 HB3 ASP 16 - HD2 LYS 85 lone 2 100 - 2 - HB3 ASP 16 - HD3 LYS 85 lone 1 73 - 2 - Peak 10051 from aliabs.peaks (0.73, 1.57, 28.74 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 87 + HD2 LYS 85 OK 80 99 - 81 - 10040/3.0=19...(19) QD1 LEU 87 + HD3 LYS 85 OK 57 70 - 80 - 10040/3.0=19...(18) Peak 10052 from aliabs.peaks (0.73, 2.94, 41.80 ppm; 3.59 A): 3 out of 6 assignments used, quality = 0.93: QD1 LEU 87 + HE3 LYS 85 OK 73 99 - 74 - 10051/2.9=15...(16) QD1 LEU 87 + HE2 LYS 85 OK 63 89 - 71 - 10051/2.9=15...(15) QD1 LEU 87 + HE3 LYS 48 OK 27 96 - 28 - 8895/1.8=5, 11145/3.6=5...(6) QD1 LEU 87 - HE3 LYS 93 OK 20 93 - 21 - 8660/3.8=5, 8895/1.8=4...(5) QD1 LEU 87 - HE2 LYS 48 OK 18 78 - 24 - 11145/3.6=5, 10091/4.9=4...(6) QD1 LEU 87 - HE2 LYS 93 OK 14 84 - 17 - 8660/3.8=5, 10064/5.9=2 Peak 10053 from aliabs.peaks (4.24, 3.06, 42.04 ppm; 4.51 A): 2 out of 25 assignments used, quality = 0.64: HA LYS 85 + HE3 LYS 86 OK 40 99 - 41 - 3.6/2758=11, 8861/4.9=10...(9) HA LYS 85 + HE2 LYS 86 OK 40 99 - 41 - 3.6/2758=11, 8861/4.9=10...(9) HA LYS 93 - HE3 LYS 86 lone 6 77 - 8 - 3016/3.0=2, 6970/7.1=2...(4) HA LYS 93 - HE2 LYS 86 lone 6 77 - 8 - 3016/3.0=2, 6970/7.1=2...(4) HA LYS 85 - HE3 LYS 34 lone 5 71 - 7 - 3.6/6986=5 HA LYS 85 - HB3 ASP 30 lone 5 70 - 7 - ~2592=2, ~2580=2, ~6949=2 HA LYS 85 - HE2 LYS 34 lone 3 48 - 7 - 3.6/6987=4 HB THR 102 - HB3 ASP 30 lone 3 73 - 4 - 3377/4.4=3 HB THR 102 - HE2 LYS 86 lone 2 100 - 2 - HB THR 102 - HE3 LYS 86 lone 2 100 - 2 - HA ARG 141 - HE3 LYS 86 lone 2 100 - 2 - HA ARG 141 - HE2 LYS 86 lone 2 99 - 2 - HA LYS 93 - HE3 LYS 34 lone 1 50 - 2 - HA ARG 141 - HE3 LYS 34 lone 1 73 - 1 - HB THR 102 - HE3 LYS 34 lone 1 74 - 1 - HA ARG 141 - HB3 ASP 30 lone 1 72 - 1 - HA GLU 142 - HE3 LYS 86 lone 1 68 - 1 - HA GLU 142 - HE2 LYS 86 lone 1 67 - 1 - HA LYS 93 - HB3 ASP 30 lone 1 49 - 1 - HA LYS 93 - HE2 LYS 34 lone 0 32 - 1 - HA ARG 141 - HE2 LYS 34 lone 0 49 - 1 - HB THR 102 - HE2 LYS 34 lone 0 50 - 1 - HA GLU 142 - HB3 ASP 30 lone 0 42 - 1 - HA GLU 142 - HE3 LYS 34 lone 0 43 - 1 - HA GLU 142 - HE2 LYS 34 lone 0 27 - 1 - Peak 10054 from aliabs.peaks (0.44, 4.64, 53.94 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 82 + HA LEU 87 OK 100 100 - 100 - 8876/3.0=43, 8798/4.0=42...(24) HG2 LYS 114 + HA LEU 87 OK 58 89 - 65 - ~10266=11, 2.9/3753=11...(14) QG2 VAL 82 - HA ARG 124 poor 8 39 - 20 - 10339/10342=9, 8822=3...(5) HG2 LYS 114 - HA ARG 124 poor 4 30 - 15 - 3767/3.8=4...(5) Peak 10055 from aliabs.peaks (0.34, 4.64, 53.94 ppm; 5.57 A): 3 out of 6 assignments used, quality = 0.95: HG2 LYS 123 + HA LEU 87 OK 79 100 - 80 - 11412/3.0=27...(19) QD1 ILE 91 + HA LEU 87 OK 68 100 - 68 - 10062/4.0=27...(8) QD2 LEU 42 + HA LEU 87 OK 28 94 - 30 - 8813/10054=11...(5) HG2 LYS 123 - HA ARG 124 OK 13 38 - 35 - ~7542=10, ~7543=10...(5) QD1 ILE 91 - HA ARG 124 lone 4 39 - 10 - 8981/3.0=2, 8982/3.0=2 QD2 LEU 42 - HA ARG 124 lone 3 34 - 8 - 8156/10342=3...(3) Peak 10056 from aliabs.peaks (-1.13, 4.64, 53.94 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.76: QG1 VAL 82 + HA LEU 87 OK 76 77 - 98 - 10055/4.1=34...(22) QG1 VAL 82 - HA ARG 124 lone 2 25 - 9 - 2.1/8822=2, 8827=1 Peak 10059 from aliabs.peaks (-1.11, 0.71, 22.08 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 82 + QD2 LEU 87 OK 99 100 - 99 - 8883/2.1=41, ~8798=31...(29) Peak 10060 from aliabs.peaks (0.34, 0.71, 22.08 ppm; 3.63 A): 3 out of 3 assignments used, quality = 0.89: HG2 LYS 123 + QD2 LEU 87 OK 71 98 - 73 - 10066/2.1=12, ~9465=12...(32) QD1 ILE 91 + QD2 LEU 87 OK 55 92 - 60 - 10062/2.1=18...(17) QD2 LEU 42 + QD2 LEU 87 OK 15 62 - 25 - 2.1/10950=9, 10066/2.1=5...(6) Peak 10061 from aliabs.peaks (0.42, 1.31, 26.06 ppm; 5.05 A): 4 out of 4 assignments used, quality = 0.92: QG2 VAL 82 + HG LEU 87 OK 62 62 - 100 - 8882/2.1=38, ~8883=36...(29) QD2 LEU 132 + HG LEU 87 OK 55 72 - 76 - 8882/2.1=49, 8878/3.0=36...(11) QD2 LEU 132 + HG LEU 79 OK 35 43 - 81 - 8738/2.1=33, 8714/3.7=19...(18) QG2 VAL 82 + HG LEU 79 OK 25 36 - 71 - ~9941=19, ~9982=17...(17) Peak 10062 from aliabs.peaks (-1.13, 1.31, 26.06 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.86: QG1 VAL 82 + HG LEU 87 OK 77 77 - 100 - ~8798=50, 10055/2.1=50...(25) QG1 VAL 82 + HG LEU 79 OK 39 46 - 85 - 8794/3.7=33, 9982/2.1=24...(23) Peak 10064 from aliabs.peaks (4.23, 0.72, 25.72 ppm; 4.12 A): 2 out of 5 assignments used, quality = 0.95: HA LYS 85 + QD1 LEU 87 OK 92 100 - 92 - 8860=27, 8904/2.1=22...(21) HA LYS 93 + QD1 LEU 87 OK 41 92 - 45 - 10060=8, 8904/2.1=6...(18) HB THR 102 - QD1 LEU 87 OK 14 100 - 14 - 8904/2.1=3, 10060=3...(5) HA PHE 45 - QD1 LEU 87 poor 9 72 - 12 - 3.6/8907=4, 10060=2, 8904/2.1=1 HA ARG 141 - QD1 LEU 87 lone 8 94 - 8 - 8904/2.1=2, 10060=2 Peak 10065 from aliabs.peaks (1.73, 0.72, 25.72 ppm; 3.53 A): 3 out of 9 assignments used, quality = 0.94: HB2 GLU 81 + QD1 LEU 87 OK 67 99 - 68 - 10061=16, 3.0/8781=12...(16) HB3 GLU 81 + QD1 LEU 87 OK 61 92 - 67 - 10061=15, 3.0/8781=12...(16) HB ILE 58 + QD1 LEU 87 OK 52 100 - 53 - ~10950=10, ~11003=6...(20) HB3 ARG 144 - QD1 LEU 87 OK 20 98 - 20 - 10061=5, 1.8/8891=2...(5) HB2 ARG 49 - QD1 LEU 87 OK 19 96 - 20 - 10061=5, 3.0/2811=2...(5) HD2 LYS 36 - QD1 LEU 87 lone 10 100 - 10 - 10061=2, 8783/8882=2 HB3 ARG 109 - QD1 LEU 87 poor 9 72 - 13 - 4.0/11402=3, 2.8/8890=3, 10061=3 HG3 ARG 89 - QD1 LEU 87 lone 2 85 - 3 - 7035/8954=1 HG3 ARG 140 - QD1 LEU 87 lone 2 98 - 2 - Peak 10066 from aliabs.peaks (0.34, 0.72, 25.72 ppm; 3.98 A): 3 out of 3 assignments used, quality = 0.96: HG2 LYS 123 + QD1 LEU 87 OK 79 100 - 79 - 3.0/9465=19...(32) QD1 ILE 91 + QD1 LEU 87 OK 73 100 - 73 - 10062=27, 11029/8883=15...(23) QD2 LEU 42 + QD1 LEU 87 OK 34 85 - 40 - 8813/8882=16, ~10950=6...(8) Peak 10067 from aliabs.peaks (1.44, 4.19, 60.27 ppm; 4.06 A): 4 out of 5 assignments used, quality = 0.91: HG12 ILE 91 + HA TRP 88 OK 86 100 - 86 - 1.8/8929=22, 2.1/8930=20...(18) HB3 LYS 123 + HA TRP 88 OK 23 85 - 27 - 3.0/8930=8, ~8884=5...(8) HB3 LYS 114 + HA TRP 88 OK 12 72 - 17 - 2.9/8929=4, 2982/8929=2...(6) HG2 LYS 24 + HA TRP 88 OK 10 100 - 10 - ~7012=3, 10771/8904=1 HG2 LYS 48 - HA TRP 88 lone 10 100 - 10 - 9801/2828=1, 4013=1 Peak 10068 from aliabs.peaks (1.14, 4.19, 60.27 ppm; 4.08 A): 3 out of 3 assignments used, quality = 0.87: HG LEU 64 + HA TRP 88 OK 61 96 - 64 - 1833=12, 3.0/10239=11...(15) QB ALA 105 + HA TRP 88 OK 56 81 - 69 - 9211/3.0=22, 8927/3.0=17...(12) QG2 THR 92 + HA TRP 88 OK 22 68 - 33 - 3.9/7063=10, 8979/8930=4...(12) Peak 10069 from aliabs.peaks (0.75, 3.31, 29.06 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.46: QD2 LEU 108 + HB2 TRP 88 OK 46 85 - 54 - 10226/4.2=17...(11) Peak 10070 from aliabs.peaks (7.79, 6.83, 113.40 ppm; 5.16 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10071 from aliabs.peaks (4.46, 3.23, 43.17 ppm; 4.15 A): 0 out of 4 assignments used, low quality = 0.22: HA ASP 137 - HD3 ARG 89 OK 22 62 - 36 - 10372/3.0=11, 9713=8...(12) HA ASP 41 - HD3 ARG 89 lone 4 77 - 5 - 10372/3.0=1 HA SER 103 - HD3 ARG 89 lone 4 72 - 5 - 10372/3.0=1 HA SER 44 - HD3 ARG 89 lone 3 92 - 4 - Peak 10072 from aliabs.peaks (2.76, 2.02, 28.78 ppm; 3.99 A): 3 out of 12 assignments used, quality = 0.95: HG3 MET 113 + HB2 GLU 90 OK 80 85 - 94 - 1.8/2922=15, 3.0/2921=13...(48) HE3 LYS 76 + HB2 GLU 90 OK 49 100 - 49 - 10073/3.0=13, ~10073=8...(14) HE2 LYS 76 + HB2 GLU 90 OK 48 100 - 49 - 10073/3.0=12, ~10073=9...(14) HE2 LYS 114 - HB2 GLU 90 OK 11 98 - 11 - 10073/3.0=3...(3) HB2 PHE 38 - HB2 GLU 90 lone 4 92 - 5 - HB3 ASP 40 - HB2 GLU 90 lone 4 98 - 4 - HB3 ASP 137 - HB2 GLU 90 lone 4 100 - 4 - HB3 PHE 43 - HB2 GLU 90 lone 2 72 - 2 - HB2 ASN 54 - HB2 GLU 90 lone 2 68 - 2 - HB2 ASN 96 - HB2 GLU 90 lone 1 68 - 2 - HB2 ASP 41 - HB2 GLU 90 lone 1 68 - 2 - HB3 ASP 16 - HB2 GLU 90 lone 0 62 - 1 - Peak 10073 from aliabs.peaks (2.76, 2.27, 36.00 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.54: HE3 LYS 76 + HG2 GLU 90 OK 34 100 - 34 - 10072/3.0=5, 10210/1.8=4...(13) HE2 LYS 76 + HG2 GLU 90 OK 31 92 - 34 - 10072/3.0=5, 11642/3.0=4...(13) HE2 LYS 114 - HG2 GLU 90 lone 9 100 - 9 - 11642/3.0=1, 10072/3.0=1...(4) HB3 ASP 137 - HG2 GLU 90 lone 2 96 - 2 - HB3 ASP 40 - HG2 GLU 90 lone 2 81 - 2 - HB2 PHE 38 - HG2 GLU 90 lone 2 100 - 2 - HB2 ASP 41 - HG2 GLU 90 lone 1 92 - 1 - Peak 10074 from aliabs.peaks (0.72, 4.08, 58.53 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 87 + HA GLU 90 OK 79 96 - 83 - 8898/3.0=28, 9807/3.8=20...(17) QD1 LEU 87 + HA GLU 90 OK 79 96 - 82 - 10076/3.0=22...(15) Peak 10075 from aliabs.peaks (0.34, 4.08, 58.53 ppm; 6.73 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 91 + HA GLU 90 OK 97 100 - 97 - 10077/3.0=42...(19) HG2 LYS 123 + HA GLU 90 OK 52 100 - 52 - 9808/3.8=15, 8955/2.9=12...(11) QD2 LEU 42 - HA GLU 90 OK 22 94 - 23 - 2951/5.0=10, 7059/3.6=3...(6) Peak 10076 from aliabs.peaks (0.72, 2.02, 28.78 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.90: QD1 LEU 87 + HB2 GLU 90 OK 78 100 - 78 - 2.1/8898=27, 9807/3.0=18...(22) QD2 LEU 87 + HB2 GLU 90 OK 57 77 - 74 - 8898=22, 9807/3.0=17...(20) Peak 10077 from aliabs.peaks (0.33, 2.02, 28.78 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.51: QD1 ILE 91 + HB2 GLU 90 OK 34 62 - 55 - 4.5/7050=23, 9808/3.0=18...(10) HG2 LYS 123 + HB2 GLU 90 OK 26 77 - 33 - 9808/3.0=10, 8955/3.9=10...(7) Peak 10078 from aliabs.peaks (6.45, 0.94, 17.96 ppm; 4.88 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10079 from aliabs.peaks (8.02, 0.94, 17.96 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.77: H VAL 73 + QG2 ILE 91 OK 77 81 - 95 - 10083=26, 4.0/10648=23...(30) Peak 10081 from aliabs.peaks (1.62, 3.66, 66.86 ppm; 4.60 A): 6 out of 7 assignments used, quality = 0.93: HB3 LEU 64 + HA THR 92 OK 74 99 - 75 - 9026/3.2=19, 9021/3.0=13...(17) HD2 LYS 24 + HA THR 92 OK 29 99 - 29 - 9026/3.2=8, 10911/9016=6...(7) HG3 ARG 144 + HA THR 92 OK 27 92 - 29 - 9021/3.0=7, 9026/3.2=6...(9) HB2 LEU 87 + HA THR 92 OK 22 99 - 23 - 4.6/9003=5, 9026/3.2=4...(7) HG3 LYS 48 + HA THR 92 OK 19 85 - 23 - 10469/4.8=5, 9021/3.0=3...(8) HG3 LYS 34 + HA THR 92 OK 10 99 - 11 - 9026/3.2=4, 9021/3.0=2 HG3 ARG 49 - HA THR 92 lone 8 85 - 10 - 9021/3.0=2, 9026/3.2=2, ~10082=1 Peak 10082 from aliabs.peaks (1.74, 1.16, 21.95 ppm; 3.58 A): 5 out of 9 assignments used, quality = 0.62: HG3 ARG 89 + QG2 THR 92 OK 26 81 - 31 - 3.8/8947=16, 2.8/9025=9...(5) HB3 ARG 144 + QG2 THR 92 OK 19 96 - 19 - 3.0/9026=4, ~9023=3...(7) HB2 GLU 81 + QG2 THR 92 OK 18 100 - 18 - 3.0/10085=6, 4.6/3009=4...(4) HB3 GLU 81 + QG2 THR 92 OK 14 89 - 16 - 3.0/10085=6, 4.6/3009=4 HD2 LYS 36 + QG2 THR 92 OK 11 99 - 11 - 5.3/10084=3, 2.9/10100=3 HG3 ARG 140 - QG2 THR 92 lone 8 99 - 8 - 4742/8947=3 HB2 ARG 49 - QG2 THR 92 lone 8 98 - 8 - 3.0/9026=1 HB3 ARG 109 - QG2 THR 92 lone 6 68 - 10 - 3.6/9011=3, 9022/2.1=1, ~11617=1 HB ILE 58 - QG2 THR 92 lone 5 99 - 5 - Peak 10083 from aliabs.peaks (1.99, 1.16, 21.95 ppm; 3.63 A): 9 out of 11 assignments used, quality = 0.85: HB ILE 56 + QG2 THR 92 OK 30 96 - 32 - 3.0/11578=8, 2.1/9027=5...(11) QE MET 11 + QG2 THR 92 OK 29 100 - 29 - 3.3/9024=8, 8017/3.2=6...(9) HB2 GLU 142 + QG2 THR 92 OK 20 85 - 23 - 4839/2.1=3, 3.0/3007=3...(12) HB VAL 63 + QG2 THR 92 OK 19 81 - 23 - 2.1/8353=8, 8356=5, 9200/10088=3 HB3 GLU 75 + QG2 THR 92 OK 18 62 - 28 - 1.8/8629=6, 3.0/8634=5...(9) QE MET 59 + QG2 THR 92 OK 16 62 - 25 - 4.6/9033=3, 9200/10088=3...(8) HB3 GLU 90 + QG2 THR 92 OK 13 81 - 16 - 4.7/9005=8, 3.9/10075=5 QE MET 113 + QG2 THR 92 OK 12 81 - 15 - 9200/10088=2...(3) HB2 GLN 111 + QG2 THR 92 OK 10 100 - 10 - 9200/10088=1, 1.8/9025=1 HB3 ARG 124 - QG2 THR 92 lone 9 100 - 9 - HG3 PRO 52 - QG2 THR 92 lone 7 94 - 8 - 3.8/10163=2, 8228/8224=1 Peak 10084 from aliabs.peaks (3.86, 1.16, 21.95 ppm; 4.08 A): 3 out of 4 assignments used, quality = 0.74: HA LEU 72 + QG2 THR 92 OK 50 100 - 51 - 3.8/9028=10, 3.9/9028=9...(17) HA MET 68 + QG2 THR 92 OK 28 100 - 29 - 9194=4, 4.9/9869=3...(10) HA LYS 36 + QG2 THR 92 OK 27 100 - 27 - 3.6/10086=10...(6) HD2 PRO 118 - QG2 THR 92 lone 7 92 - 8 - Peak 10085 from aliabs.peaks (4.04, 1.16, 21.95 ppm; 3.91 A): 0 out of 6 assignments used, low quality = 0.40: HA GLU 81 - QG2 THR 92 OK 17 77 - 22 - 3.6/3009=7, 3.0/10082=5...(5) HA GLU 37 - QG2 THR 92 OK 15 62 - 25 - 2.8/10086=10, 3.8/9024=9 HA LYS 24 - QG2 THR 92 OK 15 81 - 18 - 4.0/10100=4, 5.3/9026=3...(5) HA LYS 123 - QG2 THR 92 poor 9 81 - 11 - 3.7/9029=4, 9203/10088=2 HB THR 107 - QG2 THR 92 poor 9 72 - 12 - 9203/10088=2, 10164=1 HD2 PRO 33 - QG2 THR 92 lone 3 77 - 4 - Peak 10086 from aliabs.peaks (3.21, 3.66, 66.86 ppm; 5.52 A): 6 out of 10 assignments used, quality = 0.73: HA VAL 73 + HA THR 92 OK 31 72 - 43 - 3.2/9018=8, 3.2/8568=5...(15) HD3 ARG 141 + HA THR 92 OK 28 94 - 29 - 5.2/2996=6, 3.0/9016=5...(12) HD2 ARG 141 + HA THR 92 OK 24 81 - 29 - 5.2/2996=6, 3.0/9016=5...(12) HG3 MET 46 + HA THR 92 OK 13 100 - 13 - ~10687=6, ~7069=3, ~9024=2 HD2 ARG 140 + HA THR 92 OK 11 100 - 11 - ~10082=2, 10504/9018=1...(4) HD3 ARG 140 + HA THR 92 OK 10 100 - 10 - ~10082=2, ~9013=1...(4) HD3 ARG 124 - HA THR 92 lone 7 89 - 8 - 3.0/11617=2 HD2 ARG 55 - HA THR 92 lone 3 77 - 4 - HA LEU 39 - HA THR 92 lone 3 68 - 4 - HB3 TYR 117 - HA THR 92 lone 1 100 - 1 - Peak 10087 from aliabs.peaks (1.27, 4.25, 67.40 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.94: HB3 LEU 97 + HB THR 92 OK 79 85 - 93 - 10099/2.1=21, ~10104=19...(25) QG2 THR 99 + HB THR 92 OK 53 96 - 56 - ~10162=12, 10154/4.7=11...(9) QG2 THR 102 + HB THR 92 OK 38 98 - 38 - 4.0/10148=7, 10102/3.0=6...(13) HB2 LEU 132 - HB THR 92 poor 9 89 - 10 - 10099/2.1=2, 8949/2858=2...(4) HG3 LYS 61 - HB THR 92 lone 6 77 - 8 - 10099/2.1=2, ~10099=1, ~10102=1 Peak 10088 from aliabs.peaks (1.29, 1.16, 21.95 ppm; 2.58 A): 1 out of 1 assignment used, quality = 0.54: QB ALA 104 + QG2 THR 92 OK 54 96 - 56 - 9197=25, 9204/2.1=8...(13) Peak 10089 from aliabs.peaks (1.43, 1.16, 21.95 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.69: HG12 ILE 91 + QG2 THR 92 OK 50 81 - 61 - 2.1/8979=23, 3.2/8971=13...(9) HG3 LYS 93 + QG2 THR 92 OK 38 68 - 56 - 5.1/3009=13, ~10106=10...(17) HD2 LYS 114 - QG2 THR 92 poor 10 99 - 10 - 7091/4.4=2 HG2 LYS 48 - QG2 THR 92 poor 8 68 - 12 - 1.8/9026=2, ~9021=2...(4) Peak 10090 from aliabs.peaks (1.16, 4.22, 58.61 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.95: QG2 THR 92 + HA LYS 93 OK 85 100 - 85 - 3009/2.9=29...(17) HG2 LYS 76 + HA LYS 93 OK 69 94 - 73 - 1.8/3014=9, 7086/2.9=9...(27) HG LEU 64 - HA LYS 93 OK 17 89 - 19 - 2997/4.8=7, 8386/11615=5...(4) Peak 10091 from aliabs.peaks (0.73, 1.87, 31.89 ppm; 4.53 A): 5 out of 6 assignments used, quality = 0.91: QD1 LEU 87 + HB3 LYS 48 OK 57 100 - 57 - 11145/2.9=9, 8891/1.8=7...(22) QD1 LEU 87 + HB2 LYS 48 OK 49 87 - 57 - 11145/2.9=9, ~10771=7...(22) QD2 LEU 87 + HB3 LYS 48 OK 36 72 - 50 - 10771/2.9=6, ~11145=6...(21) QD2 LEU 87 + HB2 LYS 48 OK 27 56 - 48 - 10771/2.9=6, ~11145=6...(22) QD1 LEU 87 + HB2 LYS 36 OK 12 88 - 13 - 8882/8801=4, 10061/3.6=2, 8891=1 QD2 LEU 87 - HB2 LYS 36 lone 3 58 - 6 - Peak 10092 from aliabs.peaks (0.42, 1.53, 24.61 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.59: QD2 LEU 132 + HG3 LYS 76 OK 52 77 - 67 - 8655/3.0=37...(17) QD2 LEU 132 + HG2 LYS 93 OK 15 55 - 27 - 8882/8660=4, 2.1/10298=3...(12) Peak 10093 from aliabs.peaks (4.19, 0.83, 26.88 ppm; 4.61 A): 8 out of 10 assignments used, quality = 0.94: HA PHE 43 + HG LEU 42 OK 63 80 - 78 - 2.8/6328=23, ~6329=23...(9) HA TRP 88 + QD1 LEU 95 OK 32 100 - 32 - 8932/2.1=7, 3.0/3159=4...(10) HA LEU 64 + HG LEU 42 OK 29 77 - 38 - 3.7/9074=9, 8157/2.1=6...(11) HA PHE 43 + QD1 LEU 95 OK 24 89 - 27 - 2.8/6328=13, 4.9/913=9...(4) HA TRP 88 + HG LEU 42 OK 21 94 - 23 - 8157/2.1=6, 8930/2.1=6...(6) HA LEU 64 + QD1 LEU 95 OK 21 85 - 25 - 3.6/11417=7, 9838/2.1=4...(9) HA CYS 121 + HG LEU 42 OK 17 60 - 29 - ~10740=8, 8157/2.1=7...(6) HA CYS 121 + QD1 LEU 95 OK 15 68 - 22 - ~9450=7, ~9448=7...(5) HA PHE 67 - QD1 LEU 95 poor 10 68 - 14 - ~9980=4, ~11231=4, ~8730=2 HA PHE 67 - HG LEU 42 lone 6 60 - 10 - 8157/2.1=5 Peak 10094 from aliabs.peaks (3.67, 1.70, 42.25 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: HA ILE 83 + HB3 LEU 95 OK 97 100 - 97 - 9061/3.0=48, 8833/3.9=21...(33) HA THR 92 + HB3 LEU 95 OK 79 89 - 89 - 9086/4.6=24, 9061/3.0=23...(20) Peak 10095 from aliabs.peaks (2.53, 0.80, 22.82 ppm; 3.51 A): 0 out of 2 assignments used, low quality = 0.42: HG3 MET 68 - QD2 LEU 95 OK 32 62 - 52 - 1.8/8428=15, 2.9/8430=9...(17) HG3 MET 68 - QD1 LEU 79 OK 15 53 - 28 - 1.8/8428=9, 2.9/8430=7...(5) Peak 10096 from aliabs.peaks (1.28, 0.83, 26.88 ppm; 4.00 A): 0 out of 4 assignments used, low quality = 0.25: QB ALA 104 - HG LEU 42 OK 14 73 - 19 - 9195/3.0=6, 10088/9074=4 QB ALA 104 - QD1 LEU 95 OK 13 81 - 16 - 10088/9074=5...(3) QG2 THR 102 - QD1 LEU 95 lone 1 62 - 2 - QG2 THR 102 - HG LEU 42 lone 1 55 - 2 - Peak 10097 from aliabs.peaks (1.02, 0.83, 26.88 ppm; 3.38 A): 4 out of 8 assignments used, quality = 0.86: QD2 LEU 69 + HG LEU 42 OK 42 95 - 45 - 8143/2.1=13, 8155/2.1=10...(10) QD2 LEU 116 + HG LEU 42 OK 41 64 - 63 - 9392/2.1=21, 8143/2.1=17...(13) QD1 LEU 116 + HG LEU 42 OK 40 55 - 73 - ~9392=19, ~9391=15...(16) QD2 LEU 69 + QD1 LEU 95 OK 33 100 - 33 - 2.1/9074=6, 3.2/9073=3...(15) QG2 VAL 53 - HG LEU 42 poor 10 86 - 11 - 8143/2.1=5, 8155/2.1=3 QD2 LEU 116 - QD1 LEU 95 poor 9 72 - 12 - 9392/958=3, 8143/950=3 QD1 LEU 116 - QD1 LEU 95 lone 5 62 - 8 - 8143/950=1, 8155/958=1 QG2 VAL 53 - QD1 LEU 95 lone 3 94 - 4 - Peak 10098 from aliabs.peaks (8.65, 0.80, 22.65 ppm; 3.74 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10099 from aliabs.peaks (9.21, 0.80, 22.65 ppm; 5.91 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10100 from aliabs.peaks (0.86, 2.74, 36.78 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 97 + HB2 ASN 96 OK 68 77 - 88 - 5.0/3180=35...(9) QG2 ILE 83 + HB2 ASN 96 OK 53 100 - 54 - 9078/1.8=13, 7159/4.7=10...(12) HB3 LEU 42 + HB2 ASN 96 OK 36 96 - 37 - ~8150=12, 9078/1.8=9...(7) QD1 LEU 64 + HB2 ASN 96 OK 18 98 - 19 - 7159/4.7=6, 9078/1.8=6...(4) Peak 10101 from aliabs.peaks (4.27, 3.12, 36.78 ppm; 4.64 A): 2 out of 6 assignments used, quality = 0.80: HA LEU 95 + HB3 ASN 96 OK 75 100 - 75 - 3.6/3181=40, 9062/1.8=23...(9) HA ARG 49 + HB3 ASN 96 OK 20 99 - 20 - 3.6/3187=8, 1246/4.7=7 HA3 GLY 78 - HB3 ASN 96 lone 9 92 - 10 - 7124/3.9=2, 8708/9077=2 HA SER 138 - HB3 ASN 96 lone 7 99 - 7 - 7124/3.9=2, 10345/9077=1 HB THR 99 - HB3 ASN 96 lone 7 99 - 7 - 7124/3.9=2, 10162/9011=2 HA ALA 135 - HB3 ASN 96 lone 4 85 - 4 - 7124/3.9=1 Peak 10102 from aliabs.peaks (4.25, 2.74, 36.78 ppm; 4.98 A): 4 out of 5 assignments used, quality = 0.80: HB THR 92 + HB2 ASN 96 OK 57 100 - 58 - 10122/1.8=21, ~9011=15...(6) HA2 GLY 50 + HB2 ASN 96 OK 32 99 - 32 - 2.9/3180=9, 1301/4.7=7...(7) HA ARG 141 + HB2 ASN 96 OK 21 77 - 28 - 10122/1.8=11, 9099/4.7=8...(5) HA GLU 142 + HB2 ASN 96 OK 13 100 - 13 - 10122/1.8=5, 9099/4.7=3 HA ALA 135 - HB2 ASN 96 lone 4 77 - 6 - 4.9/4573=1, 10948/9081=1 Peak 10103 from aliabs.peaks (2.05, 4.56, 52.55 ppm; 4.34 A): 2 out of 5 assignments used, quality = 0.99: HG3 PRO 98 + HA LEU 97 OK 96 99 - 97 - 2.3/3231=35, 2.3/3233=28...(25) HG2 PRO 98 + HA LEU 97 OK 89 92 - 97 - 2.3/3231=35, 2.3/3233=28...(25) HB2 PRO 52 - HA LEU 97 OK 28 100 - 28 - 3238/3.8=9, 3246/3.8=8...(6) HB3 GLN 62 - HA LEU 97 OK 12 92 - 13 - 2.9/10931=2, 2.9/10931=2...(5) HB2 PRO 33 - HA LEU 97 lone 5 68 - 7 - 3237/3.8=2, 3245/3.8=2 Peak 10104 from aliabs.peaks (1.17, 1.60, 41.43 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.80: QG2 THR 92 + HB2 LEU 97 OK 75 85 - 88 - 9130/3.2=20...(26) HG2 LYS 76 + HB2 LEU 97 OK 20 100 - 20 - 10129/1.8=6, 9130/3.2=4...(5) QD1 LEU 69 - HB2 LEU 97 poor 8 77 - 11 - 10129/1.8=3, 11420/4.0=2 HB2 LEU 72 - HB2 LEU 97 lone 4 68 - 6 - 11420/4.0=1, 10129/1.8=1 Peak 10105 from aliabs.peaks (1.16, 1.26, 41.43 ppm; 3.75 A): 3 out of 3 assignments used, quality = 0.95: QG2 THR 92 + HB3 LEU 97 OK 89 100 - 90 - 10128/1.8=23...(29) HG LEU 64 + HB3 LEU 97 OK 37 81 - 46 - 10128/1.8=8, 2.1/3207=7...(17) HG2 LYS 76 + HB3 LEU 97 OK 22 98 - 22 - 10104/1.8=6, 9130/3.2=5...(5) Peak 10106 from aliabs.peaks (3.92, 1.26, 41.43 ppm; 5.76 A): 3 out of 4 assignments used, quality = 0.75: HA MET 46 + HB3 LEU 97 OK 49 96 - 51 - 9110/1.8=10, 9107=9...(11) HA TYR 112 + HB3 LEU 97 OK 46 81 - 56 - 2.9/9108=9, 3240/4.8=8...(13) HA2 GLY 143 + HB3 LEU 97 OK 11 94 - 11 - ~9753=2, 11636/1.8=2...(4) HD2 PRO 129 - HB3 LEU 97 lone 6 94 - 7 - 3.6/10269=2 Peak 10107 from aliabs.peaks (2.01, 0.85, 22.49 ppm; 3.52 A): 3 out of 9 assignments used, quality = 0.70: QE MET 59 + QD2 LEU 97 OK 61 99 - 62 - 10405/3.1=15...(14) QE MET 113 + QD2 LEU 97 OK 13 92 - 14 - 9332/2.1=4, 10188/9112=2 HB VAL 63 + QD2 LEU 97 OK 10 92 - 11 - ~11455=3, ~9870=2 HB2 GLU 90 - QD2 LEU 97 lone 8 98 - 8 - 4.7/10137=3, ~8958=2 HB3 GLU 37 - QD2 LEU 97 lone 7 77 - 9 - 3.0/9127=4, ~9128=2 HB3 GLU 90 - QD2 LEU 97 lone 6 92 - 7 - 4.7/10137=3, ~8958=2 HB2 GLU 37 - QD2 LEU 97 lone 6 68 - 9 - 3.0/9127=4, ~9128=2 HG3 GLU 122 - QD2 LEU 97 lone 3 100 - 3 - HG3 PRO 52 - QD2 LEU 97 lone 2 77 - 2 - Peak 10108 from aliabs.peaks (1.91, 0.85, 22.49 ppm; 3.55 A): 2 out of 10 assignments used, quality = 0.85: HB2 MET 59 + QD2 LEU 97 OK 64 100 - 64 - 3.0/9127=16...(21) HB ILE 101 + QD2 LEU 97 OK 57 94 - 61 - 2.1/3222=8, 3.0/9122=7...(29) QE MET 68 - QD2 LEU 97 lone 8 99 - 8 - 8451/9124=1 HB3 ARG 89 - QD2 LEU 97 poor 8 81 - 10 - ~8948=2, ~8949=2, ~8949=2 HB2 GLN 62 - QD2 LEU 97 poor 8 68 - 12 - 4.6/9112=9 HB3 LEU 69 - QD2 LEU 97 lone 8 96 - 8 - HB3 GLN 111 - QD2 LEU 97 lone 7 72 - 9 - 1.8/10130=3, ~9129=2, ~11023=1 HG3 PRO 12 - QD2 LEU 97 lone 6 77 - 8 - 2.3/9124=2, ~9116=2 HB2 LYS 86 - QD2 LEU 97 lone 4 81 - 4 - 4.0/8869=2 HB3 LYS 24 - QD2 LEU 97 lone 2 72 - 3 - Peak 10109 from aliabs.peaks (1.90, 0.89, 26.03 ppm; 3.84 A): 3 out of 10 assignments used, quality = 0.94: HB3 ARG 141 + QD1 LEU 97 OK 68 85 - 80 - 2.8/3227=10, 10131/2.1=9...(39) HB ILE 101 + QD1 LEU 97 OK 64 96 - 67 - 10131/2.1=10...(24) HB2 MET 59 + QD1 LEU 97 OK 47 68 - 70 - 3.0/9128=13, ~9127=10...(21) HB3 LYS 93 - QD1 LEU 97 OK 28 94 - 30 - 4.1/9034=4, ~9122=3...(12) HB3 ARG 89 - QD1 LEU 97 OK 19 100 - 19 - 3.0/8948=3, ~8949=2...(5) HB3 ARG 140 - QD1 LEU 97 OK 17 96 - 17 - 10131/2.1=2, 2.9/11575=2...(5) HB2 GLN 62 - QD1 LEU 97 OK 14 100 - 14 - 4.6/8339=7, 2.9/8344=2 HB3 LEU 69 - QD1 LEU 97 OK 12 94 - 12 - 10131/2.1=1, 10127/4.8=1 HB3 GLN 111 - QD1 LEU 97 OK 12 100 - 12 - 1.8/9129=3, ~10130=2 HB3 LYS 24 - QD1 LEU 97 lone 6 100 - 6 - Peak 10110 from aliabs.peaks (3.13, 0.89, 26.03 ppm; 5.10 A): 3 out of 5 assignments used, quality = 0.72: HB3 ASN 96 + QD1 LEU 97 OK 50 62 - 80 - ~9081=33, 3.9/10133=26...(9) HA VAL 80 + QD1 LEU 97 OK 31 100 - 31 - 2409=3, ~8754=2...(15) HA LEU 79 + QD1 LEU 97 OK 20 92 - 21 - 7152/4.8=3, 2357/3.2=2...(8) HD3 ARG 145 - QD1 LEU 97 lone 5 62 - 8 - ~9126=2 HB3 PHE 106 - QD1 LEU 97 lone 4 89 - 5 - 4.7/9220=2 Peak 10111 from aliabs.peaks (4.24, 4.56, 52.55 ppm; 5.87 A): 3 out of 6 assignments used, quality = 0.97: HB THR 92 + HA LEU 97 OK 78 81 - 96 - 2.1/9033=28, ~10104=26...(17) HA ARG 141 + HA LEU 97 OK 72 100 - 73 - 9109/3.0=13, 9099/2.9=13...(15) HB THR 102 + HA LEU 97 OK 58 94 - 62 - 9106/3.0=11, 9109/3.0=11...(15) HA2 GLY 50 - HA LEU 97 OK 37 68 - 56 - 2.9/3188=13, ~3195=10...(12) HA GLU 142 - HA LEU 97 OK 25 89 - 28 - 9099/2.9=5, 9109/3.0=5...(8) HA LYS 85 - HA LEU 97 lone 6 89 - 7 - 9122/4.1=2, 9109/3.0=1 Peak 10112 from aliabs.peaks (1.50, 2.06, 27.30 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.99: HG13 ILE 101 + HG3 PRO 98 OK 94 96 - 98 - ~9175=27, ~9175=26...(27) HG2 LYS 34 + HG3 PRO 98 OK 79 89 - 89 - ~9131=18, ~9131=13...(45) HD3 LYS 114 - HG3 PRO 98 lone 9 94 - 9 - 3.6/10113=3, 9135/2.3=1 HB3 LEU 29 - HG3 PRO 98 lone 4 62 - 7 - 9141/2.3=2, 9135/2.3=1, ~9138=1 QB ALA 134 - HG3 PRO 98 lone 3 62 - 4 - 3341/10535=1 Peak 10113 from aliabs.peaks (1.65, 2.06, 27.30 ppm; 4.51 A): 0 out of 11 assignments used, low quality = 0.19: HB3 LEU 26 - HG3 PRO 98 OK 19 96 - 20 - 9131/2.3=6...(3) HB2 PRO 57 - HG3 PRO 98 lone 7 98 - 8 - ~9138=2, ~9138=2 HB2 LYS 114 - HG3 PRO 98 lone 6 100 - 6 - 3.6/10142=1, 3749/10142=1 HB VAL 71 - HG3 PRO 98 lone 6 72 - 9 - 3.8/10147=7 HG2 ARG 140 - HG3 PRO 98 lone 3 100 - 3 - 11015/10535=1 HD2 LYS 48 - HG3 PRO 98 lone 3 72 - 4 - ~9134=1 HG2 ARG 124 - HG3 PRO 98 lone 1 100 - 1 - HG13 ILE 136 - HG3 PRO 98 lone 2 68 - 2 - HD3 LYS 93 - HG3 PRO 98 lone 1 77 - 2 - HG2 ARG 89 - HG3 PRO 98 lone 1 72 - 2 - HB2 LEU 95 - HG3 PRO 98 lone 1 72 - 1 - Peak 10114 from aliabs.peaks (3.24, 1.27, 21.65 ppm; 4.15 A): 0 out of 3 assignments used, low quality = 0.39: HD3 ARG 89 - QG2 THR 99 OK 22 96 - 23 - 3.0/9154=8, 3.5/9152=7 HD2 ARG 89 - QG2 THR 99 OK 21 92 - 23 - 3.0/9154=8, 3.5/9152=7 HB2 TYR 112 - QG2 THR 99 lone 1 72 - 2 - Peak 10115 from aliabs.peaks (3.13, 1.27, 21.65 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.43: HA VAL 80 - QG2 THR 99 OK 35 100 - 35 - 3.2/8754=9, ~9148=7...(10) HA LEU 79 - QG2 THR 99 OK 13 98 - 14 - 2363/8817=2, 8714/4504=1...(6) HB3 PHE 106 - QG2 THR 99 lone 6 77 - 8 - 10170/8354=1 HB2 TYR 70 - QG2 THR 99 lone 5 72 - 6 - ~4696=2 Peak 10116 from aliabs.peaks (2.94, 1.27, 21.65 ppm; 4.17 A): 4 out of 10 assignments used, quality = 0.58: HE3 LYS 93 + QG2 THR 99 OK 29 99 - 29 - 7.3/10154=7, 3.0/9154=6...(8) HE2 LYS 93 + QG2 THR 99 OK 19 68 - 29 - 7.3/10154=7, 3.0/9154=6...(7) HB3 ASN 130 + QG2 THR 99 OK 18 100 - 18 - 1.8/10117=7, 10385/4.0=5...(5) HE3 LYS 48 + QG2 THR 99 OK 11 81 - 13 - 3.0/9154=3, 3.0/9154=3...(5) HE2 LYS 48 - QG2 THR 99 poor 8 62 - 13 - 3.0/9154=3, 3.0/9154=3...(5) HE3 LYS 85 - QG2 THR 99 lone 4 92 - 4 - HE2 LYS 85 - QG2 THR 99 lone 3 72 - 4 - HB2 TYR 119 - QG2 THR 99 lone 2 100 - 2 - HB2 TYR 115 - QG2 THR 99 lone 2 62 - 3 - HB3 HIS 14 - QG2 THR 99 lone 1 68 - 2 - Peak 10117 from aliabs.peaks (2.82, 1.27, 21.65 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.49: HB2 ASN 130 + QG2 THR 99 OK 39 100 - 39 - 1.8/10158=20, ~10763=7...(6) HE3 LYS 114 + QG2 THR 99 OK 16 100 - 16 - 4.9/10123=5, 6.3/10159=4 HB2 ASN 139 - QG2 THR 99 lone 8 96 - 8 - ~10354=2 HB2 ASP 40 - QG2 THR 99 lone 6 98 - 6 - Peak 10118 from aliabs.peaks (4.02, 1.27, 21.65 ppm; 3.27 A): 3 out of 8 assignments used, quality = 0.48: HB3 SER 100 + QG2 THR 99 OK 24 77 - 31 - 3315/4.0=7, 1.8/10160=7...(6) HA LYS 123 + QG2 THR 99 OK 23 96 - 24 - 3.7/10124=10...(4) HA VAL 63 + QG2 THR 99 OK 12 100 - 12 - 8354=5, 3.0/9153=2 HB THR 107 - QG2 THR 99 lone 9 99 - 9 - 7180/4.0=2 HA GLU 81 - QG2 THR 99 lone 8 98 - 8 - 4.9/10115=3, 3.6/8817=2 HA GLU 37 - QG2 THR 99 lone 3 100 - 3 - ~10764=1 HA GLU 122 - QG2 THR 99 lone 2 77 - 3 - HB2 SER 103 - QG2 THR 99 lone 2 77 - 3 - Peak 10119 from aliabs.peaks (3.84, 1.27, 21.65 ppm; 3.98 A): 6 out of 6 assignments used, quality = 0.78: HB2 SER 100 + QG2 THR 99 OK 35 81 - 43 - 1.8/10118=13, 7179/4.0=9...(6) HB2 SER 127 + QG2 THR 99 OK 26 100 - 26 - 1.8/10159=12...(6) HA LEU 66 + QG2 THR 99 OK 23 98 - 23 - 10160=8, 3.0/10123=6...(4) HA GLN 133 + QG2 THR 99 OK 22 100 - 22 - 2.8/7679=4, 7179/4.0=4...(5) HA ALA 104 + QG2 THR 99 OK 16 100 - 16 - 10161/3.2=2, 7179/4.0=2...(5) HD2 PRO 118 + QG2 THR 99 OK 11 77 - 14 - 10160=6, 7179/4.0=2 Peak 10120 from aliabs.peaks (1.16, 4.11, 62.82 ppm; 4.12 A): 0 out of 3 assignments used, low quality = 0.44: QG2 THR 92 - HA THR 99 OK 34 100 - 34 - 10162/3.0=16...(7) HG2 LYS 76 - HA THR 99 OK 15 92 - 16 - 10162/3.0=8, ~10164=4, ~10123=3 HG LEU 64 - HA THR 99 lone 7 92 - 7 - 10121/3.0=3, ~9155=2 Peak 10121 from aliabs.peaks (1.16, 4.27, 68.69 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.64: QG2 THR 92 + HB THR 99 OK 47 100 - 47 - 10120/3.0=23...(8) HG2 LYS 76 + HB THR 99 OK 24 92 - 26 - 10120/3.0=10, ~10164=8, ~10123=7 HG LEU 64 + HB THR 99 OK 10 92 - 11 - 10120/3.0=5, ~9155=3...(4) Peak 10122 from aliabs.peaks (0.90, 4.27, 68.69 ppm; 5.18 A): 5 out of 6 assignments used, quality = 0.96: QD1 LEU 97 + HB THR 99 OK 76 100 - 76 - 9155/2.1=15, 3.7/9159=15...(19) QD1 ILE 101 + HB THR 99 OK 42 99 - 42 - 9155/2.1=8, ~9155=7...(10) QG2 ILE 101 + HB THR 99 OK 39 96 - 41 - 9155/2.1=9, ~9152=8...(9) QG2 ILE 136 + HB THR 99 OK 35 99 - 36 - 9155/2.1=7, ~10467=5...(9) QG2 VAL 80 + HB THR 99 OK 34 92 - 37 - ~10115=10, 9148/3.0=8...(6) QG2 ILE 56 - HB THR 99 lone 8 92 - 8 - 9027/10162=1, 9155/2.1=1...(4) Peak 10123 from aliabs.peaks (1.46, 1.27, 21.65 ppm; 3.20 A): 0 out of 6 assignments used, low quality = 0.13: HB3 LYS 123 - QG2 THR 99 OK 13 68 - 20 - 3.0/10124=11...(3) HB2 LYS 76 - QG2 THR 99 poor 10 81 - 12 - ~10162=3, ~10121=3...(5) HB3 LEU 66 - QG2 THR 99 lone 7 100 - 7 - 3.0/10160=4 HB3 LYS 114 - QG2 THR 99 lone 5 81 - 6 - 3.0/10159=2, 4.9/10117=1 HG LEU 126 - QG2 THR 99 lone 4 100 - 4 - HG3 LYS 86 - QG2 THR 99 lone 2 100 - 2 - 4.9/8868=1 Peak 10124 from aliabs.peaks (0.35, 1.27, 21.65 ppm; 4.26 A): 0 out of 3 assignments used, low quality = 0.29: HG2 LYS 123 - QG2 THR 99 OK 29 92 - 32 - 3.0/10164=14...(5) QD1 ILE 91 - QG2 THR 99 lone 9 98 - 9 - 8979/10099=2, 4098/10118=1 QD2 LEU 42 - QG2 THR 99 lone 8 100 - 8 - 3.1/9155=2, 8813/11009=1 Peak 10125 from aliabs.peaks (4.64, 4.01, 62.85 ppm; 4.27 A): 0 out of 12 assignments used, low quality = 0.38: HA GLN 62 - HA VAL 63 OK 17 51 - 33 - 8366/3.2=22, ~8341=5...(4) HA GLN 62 - HB3 SER 100 OK 13 96 - 14 - 2.9/3315=4, ~3310=3...(5) HA ASN 139 - HA VAL 63 OK 13 55 - 24 - ~9834=14, 10361/3.0=4...(4) HA ASN 139 - HB3 SER 100 lone 7 99 - 7 - 4.5/9744=1...(3) HA ASP 32 - HB3 SER 100 lone 2 100 - 2 - ~10156=2 HA PRO 129 - HB3 SER 100 lone 2 72 - 3 - HA LEU 87 - HA VAL 63 lone 2 50 - 3 - HA LEU 87 - HB3 SER 100 lone 1 94 - 1 - HA ASP 32 - HA VAL 63 lone 1 57 - 2 - HA PRO 129 - HA VAL 63 lone 1 34 - 3 - HA ASP 16 - HB3 SER 100 lone 1 81 - 1 - HA ASP 16 - HA VAL 63 lone 0 40 - 1 - Peak 10126 from aliabs.peaks (2.95, 4.02, 62.82 ppm; 5.46 A): 9 out of 22 assignments used, quality = 0.87: HB2 PHE 106 + HA VAL 63 OK 40 99 - 40 - 1.8/10170=17, 10219=13...(6) HE2 LYS 93 + HA VAL 63 OK 25 100 - 25 - 3.0/10956=13, ~11455=4...(5) HE3 LYS 93 + HA VAL 63 OK 23 92 - 25 - 3.0/10956=13, ~11455=4...(5) HE2 LYS 85 + HA VAL 63 OK 22 100 - 22 - 4.8/10956=9, 4.8/8355=5...(4) HE3 LYS 85 + HA VAL 63 OK 21 99 - 21 - 4.8/10956=9, 4.8/8355=5...(4) HE2 LYS 48 + HA VAL 63 OK 13 100 - 13 - ~11455=2, ~9870=2...(4) HE3 LYS 48 + HA VAL 63 OK 13 100 - 13 - ~11455=2, ~9870=2...(4) HB3 PHE 67 + HA VAL 63 OK 12 99 - 12 - ~10934=9 HB2 TYR 115 + HA VAL 63 OK 11 100 - 11 - ~9361=4, ~9364=2, 10640/1791=1 HB2 TYR 119 - HA VAL 63 lone 7 81 - 9 - ~10935=2, 1.8/2561=2...(5) HB2 PHE 106 - HB3 SER 100 poor 6 55 - 12 - 4.6/7258=5, 4.0/10217=3...(4) HE2 LYS 85 - HB3 SER 100 lone 2 57 - 4 - 7.4/6948=1 HE3 LYS 85 - HB3 SER 100 lone 2 55 - 4 - 7.4/6948=1 HE2 LYS 93 - HB3 SER 100 lone 2 56 - 3 - HB3 ASN 130 - HA VAL 63 lone 2 77 - 2 - HE3 LYS 93 - HB3 SER 100 lone 2 47 - 4 - 10116/10118=1 HE3 LYS 48 - HB3 SER 100 lone 2 57 - 3 - HE2 LYS 48 - HB3 SER 100 lone 2 56 - 3 - HB2 TYR 115 - HB3 SER 100 lone 1 56 - 2 - HB2 TYR 119 - HB3 SER 100 lone 1 40 - 3 - HB3 PHE 67 - HB3 SER 100 lone 1 55 - 2 - HB3 ASN 130 - HB3 SER 100 lone 1 37 - 2 - Peak 10127 from aliabs.peaks (1.28, 1.90, 37.21 ppm; 3.22 A): 2 out of 2 assignments used, quality = 0.57: QB ALA 104 + HB ILE 101 OK 45 81 - 55 - 9199=13, 10198/3.0=9...(14) QG2 THR 102 + HB ILE 101 OK 22 62 - 36 - 3.2/3329=5, ~9190=4...(18) Peak 10128 from aliabs.peaks (1.98, 0.89, 17.24 ppm; 2.77 A): 4 out of 10 assignments used, quality = 0.86: HB ILE 56 + QG2 ILE 56 OK 74 74 - 100 - 2.1=100 HB2 LYS 34 + QG2 ILE 101 OK 26 72 - 36 - ~9180=5, 2.9/3341=4...(14) HB ILE 56 + QG2 ILE 101 OK 16 77 - 21 - 3.0/1458=3, 3.2/1463=2...(8) HB3 MET 11 + QG2 ILE 56 OK 14 74 - 19 - 3.0/9186=4, 1459=3...(5) HB2 LYS 34 - QG2 ILE 56 lone 6 70 - 9 - 1459=1 HB3 GLU 75 - QG2 ILE 56 lone 5 98 - 5 - HB3 MET 11 - QG2 ILE 101 lone 4 77 - 6 - 3.0/9186=2, ~9181=1 HB3 GLU 75 - QG2 ILE 101 lone 4 100 - 4 - 9850/10135=2 HB2 GLU 142 - QG2 ILE 101 lone 3 92 - 3 - ~10182=1 HB2 GLU 142 - QG2 ILE 56 lone 2 89 - 2 - Peak 10129 from aliabs.peaks (1.31, 0.89, 13.44 ppm; 2.92 A): 3 out of 4 assignments used, quality = 0.64: HG LEU 87 + QD1 ILE 101 OK 45 100 - 45 - 10133/3.1=9, 2796/2.1=7...(16) HG3 LYS 24 + QD1 ILE 101 OK 27 96 - 29 - 10133/3.1=5, 3.0/3362=3...(11) HG12 ILE 83 + QD1 ILE 101 OK 11 85 - 13 - 10133/3.1=3, 9145/9175=2...(4) HG LEU 79 - QD1 ILE 101 lone 9 100 - 9 - 10133/3.1=2, 3.0/10130=1...(4) Peak 10130 from aliabs.peaks (1.60, 0.89, 13.44 ppm; 3.73 A): 3 out of 10 assignments used, quality = 0.85: HB2 LEU 97 + QD1 ILE 101 OK 81 100 - 82 - 4.8/9175=18, 4.8/9173=17...(36) HB2 LEU 79 + QD1 ILE 101 OK 12 94 - 13 - 3.0/10177=6, 4.1/6865=1 HD2 LYS 61 + QD1 ILE 101 OK 10 96 - 10 - 6.2/10541=6 HD3 LYS 61 - QD1 ILE 101 poor 10 94 - 10 - 6.2/10541=6 HG2 ARG 141 - QD1 ILE 101 lone 9 99 - 9 - HG LEU 108 - QD1 ILE 101 lone 6 98 - 6 - HG3 ARG 49 - QD1 ILE 101 lone 5 77 - 7 - 9802/9173=2 HG3 LYS 48 - QD1 ILE 101 lone 5 77 - 7 - HG2 ARG 144 - QD1 ILE 101 lone 3 100 - 3 - HG3 ARG 144 - QD1 ILE 101 lone 2 68 - 3 - Peak 10131 from aliabs.peaks (2.27, 0.89, 13.44 ppm; 4.67 A): 7 out of 9 assignments used, quality = 0.86: HG2 GLU 131 + QD1 ILE 101 OK 44 100 - 44 - 1.8/9563=6, 4.2/9555=6...(14) HG2 GLU 90 + QD1 ILE 101 OK 25 100 - 25 - 3.0/9180=8, 3.8/8958=7...(6) HG2 GLN 62 + QD1 ILE 101 OK 23 85 - 27 - 1.8/8344=4, 3.5/8339=4...(8) HG3 GLN 62 + QD1 ILE 101 OK 21 81 - 26 - 1.8/8344=4, 3.5/8339=4...(8) HB3 MET 113 + QD1 ILE 101 OK 20 100 - 21 - 4.1/10542=6, 4.2/9332=4...(5) HG3 GLU 90 + QD1 ILE 101 OK 16 68 - 24 - 3.0/9180=8, 3.8/8958=7...(7) HG3 GLU 142 + QD1 ILE 101 OK 15 100 - 15 - ~10182=7 HG3 PRO 129 - QD1 ILE 101 lone 6 92 - 6 - HG2 GLU 120 - QD1 ILE 101 lone 4 77 - 6 - ~10182=2 Peak 10132 from aliabs.peaks (2.00, 1.23, 27.13 ppm; 3.92 A): 11 out of 20 assignments used, quality = 0.94: QE MET 59 + HG12 ILE 101 OK 44 92 - 48 - 1635/3.0=7, 10407/2.1=7...(14) HG3 GLU 122 + HD3 LYS 123 OK 38 54 - 69 - ~9453=12, ~9453=12...(24) HB2 GLN 111 + HG12 ILE 101 OK 26 96 - 27 - 11023/2.1=4, 11023/3.2=4...(12) HB VAL 63 + HD3 LYS 123 OK 22 81 - 27 - 9468/3.0=6, 10329/3.0=3...(15) HB ILE 56 + HG12 ILE 101 OK 22 72 - 30 - 2.1/3340=3, 1453/2.1=3...(15) HB3 GLU 90 + HG12 ILE 101 OK 19 99 - 19 - ~9180=5, ~8958=4...(7) QE MET 113 + HD3 LYS 123 OK 19 81 - 23 - 9330/2.9=6, 9330/4167=5...(9) QE MET 59 + HD3 LYS 123 OK 16 72 - 22 - 10567=6, 9468/3.0=5...(7) HB3 GLU 90 + HD3 LYS 123 OK 13 81 - 15 - ~10077=6, ~9808=4...(4) QE MET 113 + HG12 ILE 101 OK 12 99 - 12 - 9332/2.1=5, 9332/3.2=3 QE MET 11 + HG12 ILE 101 OK 11 98 - 11 - ~9181=5, ~9186=2...(4) HG3 PRO 52 - HG12 ILE 101 lone 10 100 - 10 - 2.3/9183=1, 1374/9183=1...(5) HG3 PRO 52 - HD3 LYS 123 poor 9 84 - 11 - 7528/6.1=2, ~9469=2...(4) HB3 ARG 124 - HD3 LYS 123 lone 7 75 - 9 - 9468/3.0=3, 9470/1.8=3 HB VAL 63 - HG12 ILE 101 lone 6 99 - 6 - HG3 GLU 122 - HG12 ILE 101 lone 6 72 - 8 - 1.8/9458=4 HB2 GLN 111 - HD3 LYS 123 lone 5 78 - 6 - 9249/3457=1 HB3 ARG 124 - HG12 ILE 101 lone 3 94 - 3 - HB ILE 56 - HD3 LYS 123 lone 3 54 - 5 - 9470/1.8=2 QE MET 11 - HD3 LYS 123 lone 2 80 - 3 - Peak 10133 from aliabs.peaks (1.32, 0.89, 17.24 ppm; 2.57 A): 0 out of 8 assignments used, low quality = 0.42: HG LEU 87 - QG2 ILE 101 OK 30 96 - 31 - 10129/3.1=7, 3.0/3340=4...(9) HG3 LYS 24 - QG2 ILE 101 OK 18 77 - 23 - 10177/3.1=7, 3.0/3338=2...(5) HG12 ILE 83 - QG2 ILE 101 lone 9 99 - 9 - 10129/3.1=2 HG12 ILE 83 - QG2 ILE 56 lone 7 97 - 7 - HG LEU 79 - QG2 ILE 101 lone 5 89 - 6 - 10177/3.1=3 HG LEU 79 - QG2 ILE 56 lone 4 86 - 5 - HG LEU 87 - QG2 ILE 56 lone 3 94 - 3 - HG3 LYS 24 - QG2 ILE 56 lone 1 74 - 1 - Peak 10135 from aliabs.peaks (0.53, 0.89, 17.24 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.64: QD1 ILE 58 + QG2 ILE 101 OK 51 92 - 56 - 2.1/10181=10...(20) QD1 ILE 58 + QG2 ILE 56 OK 15 89 - 17 - 4797/10605=4, 9850/2.1=3...(6) QD1 LEU 42 + QG2 ILE 56 OK 13 65 - 20 - 2.1/957=4, ~8156=3...(8) QD1 LEU 42 - QG2 ILE 101 lone 4 68 - 6 - Peak 10136 from aliabs.peaks (2.34, 1.49, 27.13 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: HB2 PRO 98 + HG13 ILE 101 OK 100 100 - 100 - 3.0/9171=35, ~9175=34...(27) HE2 LYS 123 + HG13 ILE 101 OK 73 98 - 74 - ~4171=14, 4180/1.8=11...(22) HB3 GLN 47 - HG13 ILE 101 OK 27 89 - 31 - ~10474=6, ~10675=6...(13) HB2 GLN 47 - HG13 ILE 101 OK 23 72 - 32 - ~10675=6, ~10473=5...(12) Peak 10137 from aliabs.peaks (3.42, 1.49, 27.13 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.94: HD2 PRO 98 + HG13 ILE 101 OK 93 94 - 99 - 1.8/9171=38, ~9173=37...(22) HB3 TYR 112 + HG13 ILE 101 OK 12 94 - 13 - 3247/9171=3...(6) HA THR 74 - HG13 ILE 101 lone 5 96 - 5 - 8558/8698=1 Peak 10138 from aliabs.peaks (3.42, 1.23, 27.29 ppm; 6.15 A): 2 out of 6 assignments used, quality = 0.99: HD2 PRO 98 + HD3 LYS 123 OK 93 100 - 93 - ~9469=25, ~9469=24...(26) HD2 PRO 98 + HG12 ILE 101 OK 84 84 - 100 - ~9173=46, 9175/2.1=44...(26) HA THR 74 - HD3 LYS 123 OK 19 77 - 24 - ~11678=10, ~10326=9...(4) HB3 TYR 112 - HG12 ILE 101 poor 6 54 - 12 - 10137/1.8=5, 3279/9183=2...(4) HB3 TYR 112 - HD3 LYS 123 lone 4 72 - 5 - 3263/4170=2 HA THR 74 - HG12 ILE 101 lone 3 58 - 5 - 10137/1.8=2 Peak 10139 from aliabs.peaks (4.55, 1.49, 27.13 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.96: HA PRO 98 + HG13 ILE 101 OK 89 100 - 89 - 3.6/9171=33...(13) HA LEU 97 + HG13 ILE 101 OK 66 72 - 91 - 3.8/9171=32...(19) HA GLU 28 - HG13 ILE 101 OK 23 100 - 23 - 3.6/6123=6, 9172/2.1=3...(9) Peak 10140 from aliabs.peaks (4.56, 0.89, 17.24 ppm; 4.06 A): 4 out of 6 assignments used, quality = 0.94: HA LEU 97 + QG2 ILE 101 OK 74 100 - 74 - 9172/3.1=12, 3194=11...(24) HA MET 59 + QG2 ILE 101 OK 59 100 - 59 - 3.7/9186=8, 9172/3.1=7...(20) HA LEU 97 + QG2 ILE 56 OK 33 98 - 33 - 3.0/11010=8, 3.8/9133=5...(8) HA MET 59 + QG2 ILE 56 OK 21 99 - 21 - 3.0/8299=5, 3.0/11009=4...(6) HA ASN 130 - QG2 ILE 101 lone 8 94 - 8 - 3.6/9552=4 HA ASN 130 - QG2 ILE 56 lone 3 92 - 3 - Peak 10143 from aliabs.peaks (3.23, 0.89, 17.24 ppm; 4.30 A): 3 out of 6 assignments used, quality = 0.47: HD3 ARG 124 + QG2 ILE 56 OK 24 74 - 32 - ~10597=5, ~4243=4...(10) HD3 ARG 89 + QG2 ILE 101 OK 21 100 - 21 - 2901/2.1=3, 10499/9705=3...(9) HD2 ARG 89 + QG2 ILE 101 OK 11 68 - 16 - 3.5/3338=2, ~2901=2...(8) HD3 ARG 89 - QG2 ILE 56 lone 8 99 - 8 - 10499/11204=2, 5.5/8948=1 HD3 ARG 124 - QG2 ILE 101 poor 8 77 - 10 - ~10678=2, 10679/3.2=2 HD2 ARG 89 - QG2 ILE 56 lone 3 65 - 4 - 5.5/8948=1 Peak 10145 from aliabs.peaks (3.13, 3.96, 62.40 ppm; 4.14 A): 1 out of 7 assignments used, quality = 0.77: HB3 PHE 106 + HB3 SER 103 OK 77 98 - 79 - 10147/1.8=26, 3439=16...(14) HD2 ARG 109 - HB3 SER 103 poor 7 62 - 12 - 10147/1.8=2, 3.6/3539=2...(6) HD3 ARG 145 - HB3 SER 103 lone 6 81 - 8 - 10147/1.8=2, ~10147=2 HD2 ARG 145 - HB3 SER 103 lone 6 77 - 8 - 10147/1.8=2, ~10147=2 HA VAL 80 - HB3 SER 103 lone 5 99 - 5 - 10147/1.8=2 HB3 ASN 96 - HB3 SER 103 lone 3 81 - 4 - 3.9/9087=2 HA LEU 79 - HB3 SER 103 lone 2 77 - 2 - Peak 10146 from aliabs.peaks (2.95, 3.96, 62.40 ppm; 4.35 A): 5 out of 11 assignments used, quality = 0.93: HB2 PHE 106 + HB3 SER 103 OK 81 96 - 84 - 1.8/10145=30, ~10147=21...(15) HE3 LYS 48 + HB3 SER 103 OK 27 100 - 27 - 10148/1.8=5, ~10148=4...(10) HE2 LYS 48 + HB3 SER 103 OK 26 98 - 27 - 10148/1.8=5, ~10148=4...(11) HE2 LYS 93 + HB3 SER 103 OK 15 99 - 15 - 5.9/10152=3, 10148/1.8=3...(4) HE3 LYS 93 + HB3 SER 103 OK 14 96 - 15 - 5.9/10152=3, 10148/1.8=2...(5) HE3 LYS 85 - HB3 SER 103 lone 7 100 - 7 - 10148/1.8=1, ~10148=1 HE2 LYS 85 - HB3 SER 103 lone 7 100 - 7 - 10148/1.8=1, ~10148=1 HB3 PHE 67 - HB3 SER 103 lone 5 96 - 5 - 3.0/10152=1 HB2 TYR 115 - HB3 SER 103 lone 3 98 - 3 - HB2 TYR 119 - HB3 SER 103 lone 2 89 - 2 - HB3 ASN 130 - HB3 SER 103 lone 1 85 - 1 - Peak 10147 from aliabs.peaks (3.13, 4.01, 62.40 ppm; 4.33 A): 1 out of 7 assignments used, quality = 0.85: HB3 PHE 106 + HB2 SER 103 OK 85 100 - 86 - 10145/1.8=29...(16) HD3 ARG 145 - HB2 SER 103 lone 7 92 - 8 - 10145/1.8=2, ~10145=2 HD2 ARG 109 - HB2 SER 103 lone 7 77 - 9 - 10145/1.8=3, ~11591=2, ~10744=1 HD2 ARG 145 - HB2 SER 103 lone 7 89 - 8 - 10145/1.8=2, ~10145=2 HA VAL 80 - HB2 SER 103 lone 6 94 - 6 - 10145/1.8=2 HB3 ASN 96 - HB2 SER 103 lone 2 92 - 2 - 10145/1.8=1 HA LEU 79 - HB2 SER 103 lone 1 62 - 2 - Peak 10148 from aliabs.peaks (2.95, 4.01, 62.40 ppm; 4.20 A): 5 out of 10 assignments used, quality = 0.92: HB2 PHE 106 + HB2 SER 103 OK 84 100 - 84 - 1.8/10147=27, ~10145=20...(16) HE2 LYS 48 + HB2 SER 103 OK 22 100 - 22 - 10146/1.8=5, ~10146=4...(7) HE3 LYS 48 + HB2 SER 103 OK 21 98 - 22 - 10146/1.8=5, ~10146=4...(8) HE2 LYS 93 + HB2 SER 103 OK 13 100 - 13 - 5.1/10154=3, 10146/1.8=3...(4) HE3 LYS 93 + HB2 SER 103 OK 11 77 - 14 - 5.1/10154=3, 10146/1.8=3...(4) HE2 LYS 85 - HB2 SER 103 lone 6 100 - 6 - 10146/1.8=1, ~10146=1 HE3 LYS 85 - HB2 SER 103 lone 6 92 - 6 - 10146/1.8=1, ~10146=1 HB3 PHE 67 - HB2 SER 103 lone 4 100 - 4 - HB2 TYR 115 - HB2 SER 103 lone 3 100 - 3 - HB2 TYR 119 - HB2 SER 103 lone 1 62 - 2 - Peak 10149 from aliabs.peaks (2.96, 4.47, 57.87 ppm; 4.98 A): 4 out of 10 assignments used, quality = 0.85: HB2 PHE 106 + HA SER 103 OK 74 85 - 86 - ~10145=21, ~10147=20...(18) HE2 LYS 48 + HA SER 103 OK 21 81 - 25 - ~10146=4, 7.0/6430=4...(9) HE3 LYS 48 + HA SER 103 OK 16 62 - 25 - ~10146=4, 7.0/6430=4...(9) HE2 LYS 93 + HA SER 103 OK 12 77 - 16 - 5.9/10151=3, 10148/3.0=2...(5) HB2 ASP 30 - HA SER 103 poor 10 85 - 11 - 4.4/6146=7, 11473/3.0=1 HB3 TYR 27 - HA SER 103 lone 6 94 - 7 - 10915/3.0=3, 9229/9209=1 HE2 LYS 85 - HA SER 103 lone 6 72 - 8 - 5.8/10151=1, ~10146=1 HB3 PHE 67 - HA SER 103 lone 4 85 - 4 - HB2 TYR 115 - HA SER 103 lone 2 81 - 2 - HB2 HIS 14 - HA SER 103 lone 1 77 - 1 - Peak 10150 from aliabs.peaks (3.15, 4.47, 57.87 ppm; 5.87 A): 0 out of 3 assignments used, low quality = 0.00: HA LEU 79 - HA SER 103 lone 3 85 - 3 - HB2 TYR 70 - HA SER 103 lone 2 100 - 2 - HB2 TRP 17 - HA SER 103 lone 1 81 - 2 - Peak 10151 from aliabs.peaks (4.23, 4.47, 57.87 ppm; 4.34 A): 5 out of 8 assignments used, quality = 0.69: HB THR 102 + HA SER 103 OK 30 94 - 32 - 3.0/10186=11...(5) HA THR 102 + HA SER 103 OK 27 81 - 34 - 10186=12, 10185/3.6=9...(4) HA LYS 93 + HA SER 103 OK 18 100 - 18 - 10152/3.0=4, 7208/3.0=3...(6) HA PHE 45 + HA SER 103 OK 15 92 - 16 - 10152/3.0=3, 2.8/6362=3...(7) HA ILE 101 + HA SER 103 OK 12 72 - 17 - 7208/3.0=4, 10152/3.0=3...(5) HA ARG 141 - HA SER 103 poor 10 77 - 12 - 9206/3.6=3, 7209/3.0=2...(5) HA LYS 85 - HA SER 103 lone 7 98 - 7 - 7208/3.0=2, 9206/3.6=1 HA ALA 134 - HA SER 103 lone 4 72 - 6 - 10152/3.0=1, 7208/3.0=1 Peak 10152 from aliabs.peaks (4.21, 3.96, 62.40 ppm; 3.83 A): 0 out of 6 assignments used, low quality = 0.31: HA THR 102 - HB3 SER 103 OK 22 100 - 23 - 10186/3.0=9, 10185/4.6=8...(4) HA LYS 93 - HB3 SER 103 OK 11 89 - 12 - ~10154=2, 7208/4.1=2...(4) HA PHE 45 - HB3 SER 103 lone 10 99 - 10 - 7208/4.1=2, 10151/3.0=2...(4) HA ILE 101 - HB3 SER 103 lone 10 100 - 10 - 7208/4.1=3, ~10154=2...(4) HA ALA 134 - HB3 SER 103 lone 4 100 - 4 - HA PHE 67 - HB3 SER 103 lone 2 81 - 3 - Peak 10153 from aliabs.peaks (1.99, 4.01, 62.40 ppm; 4.14 A): 0 out of 7 assignments used, low quality = 0.00: HB ILE 56 - HB2 SER 103 lone 9 100 - 10 - ~11204=4, ~11203=2, 2.1/10429=2 HB3 GLU 75 - HB2 SER 103 lone 9 85 - 10 - 2218/1.8=1, ~2210=1...(5) HB2 GLN 111 - HB2 SER 103 lone 5 96 - 5 - 1.8/10154=3 QE MET 11 - HB2 SER 103 lone 3 94 - 3 - HB3 ARG 124 - HB2 SER 103 lone 2 98 - 2 - HB2 GLU 142 - HB2 SER 103 lone 1 98 - 1 - HG3 PRO 52 - HB2 SER 103 lone 1 77 - 2 - Peak 10154 from aliabs.peaks (1.90, 4.01, 62.40 ppm; 4.94 A): 4 out of 10 assignments used, quality = 0.55: HB3 ARG 140 + HB2 SER 103 OK 30 98 - 31 - 4722/3.0=6, ~4712=4...(8) HB3 LYS 93 + HB2 SER 103 OK 16 96 - 17 - ~10152=6, ~10151=3...(5) HB ILE 101 + HB2 SER 103 OK 15 94 - 16 - ~10152=5, 3.9/7186=2...(6) HB3 GLN 111 + HB2 SER 103 OK 11 100 - 11 - 1.8/10153=8 HB3 ARG 141 - HB2 SER 103 poor 9 89 - 10 - ~10375=3, 4722/3.0=2...(4) HB3 LEU 69 - HB2 SER 103 lone 7 92 - 8 - 3.2/2037=1 HB3 ARG 89 - HB2 SER 103 lone 4 100 - 4 - ~10372=2 HB3 LYS 24 - HB2 SER 103 lone 3 100 - 3 - HB2 GLN 62 - HB2 SER 103 lone 2 100 - 2 - HB2 MET 59 - HB2 SER 103 lone 2 62 - 3 - 4.2/10401=1 Peak 10155 from aliabs.peaks (2.00, 3.85, 54.97 ppm; 3.90 A): 3 out of 10 assignments used, quality = 0.67: QE MET 59 + HA ALA 104 OK 39 100 - 40 - 10402=16, 9200/2.1=13...(9) HB VAL 63 + HA ALA 104 OK 33 100 - 33 - 9200/2.1=8, 3.0/3403=7...(9) QE MET 113 + HA ALA 104 OK 20 100 - 20 - 9200/2.1=5, 9338/4.9=3...(5) QE MET 11 - HA ALA 104 poor 9 85 - 11 - ~9202=4, 9200/2.1=2 HB2 GLN 111 - HA ALA 104 lone 8 81 - 9 - 9200/2.1=2, 9249/3403=1, ~9199=1 HG3 GLU 122 - HA ALA 104 lone 6 92 - 6 - 9459/4.9=3 HG3 PRO 52 - HA ALA 104 lone 4 98 - 4 - HB3 ARG 124 - HA ALA 104 lone 4 77 - 5 - 9200/2.1=1 HB3 GLU 90 - HA ALA 104 lone 2 100 - 2 - HB2 GLU 90 - HA ALA 104 lone 2 77 - 3 - Peak 10156 from aliabs.peaks (1.48, 1.29, 18.45 ppm; 3.59 A): 3 out of 5 assignments used, quality = 0.71: HG13 ILE 101 + QB ALA 104 OK 51 92 - 55 - 3.0/10127=15...(12) QB ALA 134 + QB ALA 104 OK 31 100 - 31 - 4.0/9626=9, 2.9/10192=8...(8) HB2 LYS 76 + QB ALA 104 OK 16 89 - 18 - 8654/9196=8, 3.0/9197=3...(4) HB3 LEU 29 - QB ALA 104 lone 8 100 - 8 - 3.2/10841=4 HD3 LYS 114 - QB ALA 104 lone 4 94 - 4 - Peak 10157 from aliabs.peaks (0.88, 3.85, 54.97 ppm; 3.66 A): 6 out of 6 assignments used, quality = 0.95: QG2 ILE 101 + HA ALA 104 OK 66 92 - 72 - 9169=15, ~10127=15...(15) QD1 ILE 101 + HA ALA 104 OK 56 85 - 65 - ~10198=12, 9195/2.1=11...(15) QG2 ILE 136 + HA ALA 104 OK 39 85 - 45 - 9195/2.1=8, 10328=6...(12) QG2 ILE 56 + HA ALA 104 OK 28 96 - 29 - 10604/2.8=8, 9195/2.1=7...(5) QD1 LEU 97 + HA ALA 104 OK 14 81 - 17 - 9195/2.1=6, 9130/9194=3...(6) HB3 LEU 42 + HA ALA 104 OK 11 62 - 18 - 9195/2.1=8, ~10096=6...(4) Peak 10158 from aliabs.peaks (0.75, 3.85, 54.97 ppm; 4.39 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 108 + HA ALA 104 OK 80 99 - 81 - 9196/2.1=40, ~10231=20...(13) QD1 LEU 108 + HA ALA 104 OK 61 85 - 71 - ~9196=32, 10231/2.1=23...(12) QD1 LEU 72 + HA ALA 104 OK 39 62 - 63 - 10172/2.1=15, 2.1/2142=7...(15) Peak 10159 from aliabs.peaks (7.21, 1.13, 17.85 ppm; 4.41 A): 0 out of 2 assignments used, low quality = 0.34: QD PHE 45 - QB ALA 105 OK 19 94 - 20 - 10208=5, 10206/2.1=4...(6) H GLU 37 - QB ALA 105 OK 18 98 - 18 - 10208=7, 9914/9221=2...(6) Peak 10160 from aliabs.peaks (3.31, 3.10, 54.99 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.81: HB2 TRP 88 + HA ALA 105 OK 71 100 - 71 - 8928/2.1=33, ~8927=26...(7) HD3 ARG 109 + HA ALA 105 OK 35 77 - 46 - 9211/2.1=12...(11) HD2 ARG 124 - HA ALA 105 lone 8 100 - 8 - 9211/2.1=4 Peak 10161 from aliabs.peaks (4.02, 2.95, 38.76 ppm; 4.04 A): 6 out of 9 assignments used, quality = 0.92: HB2 SER 103 + HB2 PHE 106 OK 66 81 - 81 - ~10145=19, 10147/1.8=18...(16) HB THR 107 + HB2 PHE 106 OK 49 98 - 51 - 4.1/3437=20, 9236/2.5=14...(6) HA VAL 63 + HB2 PHE 106 OK 26 100 - 27 - 10170/1.8=10, 10169=8...(6) HA GLU 81 + HB2 PHE 106 OK 18 96 - 18 - 10218/1.8=3, ~6870=2...(10) HA LYS 123 + HB2 PHE 106 OK 14 94 - 15 - 4100/4.7=6, 10217/4.0=3...(4) HA GLU 122 + HB2 PHE 106 OK 13 81 - 16 - ~9446=4, 9921/2.5=3...(5) HB3 SER 100 - HB2 PHE 106 lone 6 81 - 7 - 7258/4.6=3, 10217/4.0=2 HA GLU 37 - HB2 PHE 106 lone 3 100 - 3 - HA LEU 69 - HB2 PHE 106 lone 2 62 - 4 - Peak 10162 from aliabs.peaks (4.02, 3.12, 38.76 ppm; 4.22 A): 3 out of 9 assignments used, quality = 0.93: HB2 SER 103 + HB3 PHE 106 OK 79 92 - 86 - 10147=29, 1.8/10145=27...(16) HB THR 107 + HB3 PHE 106 OK 49 92 - 53 - 4.1/3445=20, 9236/2.5=14...(6) HA VAL 63 + HB3 PHE 106 OK 30 100 - 30 - 10170=12, 10219/1.8=10...(5) HA GLU 81 - HB3 PHE 106 OK 18 89 - 20 - 10219/1.8=4, 2.9/6870=4...(8) HA GLU 122 - HB3 PHE 106 OK 18 92 - 19 - 9921/2.5=5, ~9446=5...(6) HA LYS 123 - HB3 PHE 106 OK 15 85 - 18 - 4100/4.7=6, 4.7/10216=3...(5) HB3 SER 100 - HB3 PHE 106 lone 7 92 - 8 - 7258/4.6=3, 10217/4.0=2 HA LEU 69 - HB3 PHE 106 lone 4 77 - 5 - 9921/2.5=1 HA GLU 37 - HB3 PHE 106 lone 4 96 - 4 - Peak 10164 from aliabs.peaks (1.15, 4.03, 68.28 ppm; 4.44 A): 3 out of 3 assignments used, quality = 0.79: HG LEU 64 + HB THR 107 OK 62 98 - 64 - 10222/4.1=15, ~10916=14...(16) QB ALA 105 + HB THR 107 OK 36 77 - 47 - 10211/4.1=12...(15) QG2 THR 92 + HB THR 107 OK 13 72 - 18 - 9194/3403=3, 9197/9203=3...(6) Peak 10165 from aliabs.peaks (2.13, 1.22, 21.95 ppm; 4.26 A): 4 out of 7 assignments used, quality = 0.77: HG2 GLN 111 + QG2 THR 107 OK 64 98 - 65 - 1.8/9254=24...(13) HB2 GLU 75 + QG2 THR 107 OK 22 100 - 22 - 1.8/9251=5, 8630/9246=4...(8) HB2 GLN 133 + QG2 THR 107 OK 11 85 - 13 - 3.0/11631=4, ~3453=3, ~3453=2 HB3 GLN 133 + QG2 THR 107 OK 10 81 - 13 - 3.0/11631=4, ~3453=3, ~3453=2 HG3 PRO 118 - QG2 THR 107 poor 8 77 - 11 - ~3453=3, 2.3/11631=2, ~3453=2 HB VAL 73 - QG2 THR 107 lone 8 77 - 10 - 2.1/9246=3, ~9244=2 HB VAL 53 - QG2 THR 107 lone 4 100 - 4 - ~9241=1 Peak 10166 from aliabs.peaks (3.10, 0.76, 26.39 ppm; 3.89 A): 5 out of 6 assignments used, quality = 0.92: HA ALA 105 + QD1 LEU 108 OK 76 98 - 78 - 9260=27, 9263/2.1=22...(15) HA ALA 105 + QD1 LEU 72 OK 40 86 - 46 - 2.1/9221=7, 9954/2.1=7...(15) HD2 ARG 109 + QD1 LEU 108 OK 25 72 - 35 - 9260=10, 9263/2.1=8...(6) HD2 ARG 109 + QD1 LEU 72 OK 13 60 - 21 - 1.8/9275=4, ~9275=4...(6) HA TYR 119 + QD1 LEU 108 OK 12 98 - 12 - 9263/2.1=3, 10236/9914=2 HA TYR 119 - QD1 LEU 72 lone 7 86 - 9 - Peak 10167 from aliabs.peaks (3.66, 0.76, 26.39 ppm; 3.28 A): 3 out of 6 assignments used, quality = 0.83: HA THR 92 + QD1 LEU 108 OK 51 100 - 51 - 2.9/10553=15...(11) HA THR 92 + QD1 LEU 72 OK 47 90 - 52 - 4.1/10229=10, 3.2/9028=9...(16) HA2 GLY 94 + QD1 LEU 72 OK 35 64 - 55 - 1.8/9056=12, 3.0/8545=12...(10) HA2 GLY 94 - QD1 LEU 108 poor 9 77 - 12 - 1.8/9056=3, 9053=2...(7) HA ILE 83 - QD1 LEU 72 poor 8 72 - 11 - HA ILE 83 - QD1 LEU 108 lone 7 85 - 8 - 3001/9259=1 Peak 10168 from aliabs.peaks (4.19, 0.77, 26.47 ppm; 4.29 A): 7 out of 10 assignments used, quality = 0.94: HA TRP 88 + QD1 LEU 108 OK 52 90 - 58 - ~10069=15, 9266/2.1=12...(17) HA TRP 88 + QD1 LEU 72 OK 51 100 - 51 - 8932/2.1=10, 8932=8...(16) HA LEU 64 + QD1 LEU 108 OK 48 72 - 67 - 9266/2.1=15, 9878=11...(24) HA LEU 64 + QD1 LEU 72 OK 26 85 - 31 - 9838/2.1=6, 9878=6...(14) HA PHE 43 + QD1 LEU 108 OK 14 75 - 18 - 10829/10231=4, ~10225=3...(7) HA PHE 67 + QD1 LEU 72 OK 13 68 - 19 - 4.9/2150=7, ~11234=2...(6) HA PHE 43 + QD1 LEU 72 OK 11 89 - 12 - 10829/10172=2, 3.6/8545=2 HA PHE 67 - QD1 LEU 108 poor 6 55 - 10 - ~8408=3, 9266/2.1=2...(4) HA CYS 121 - QD1 LEU 72 lone 3 68 - 5 - HA CYS 121 - QD1 LEU 108 lone 2 55 - 3 - 9266/2.1=1 Peak 10169 from aliabs.peaks (1.99, 0.76, 26.39 ppm; 3.65 A): 5 out of 20 assignments used, quality = 0.92: HB ILE 56 + QD1 LEU 108 OK 47 98 - 48 - 10170/2.1=6, 3.0/3512=5...(23) HB3 GLU 75 + QD1 LEU 108 OK 45 68 - 67 - 3.0/9258=24, ~8642=10...(13) HB3 ARG 124 + QD1 LEU 72 OK 39 90 - 43 - 11609/2.1=7, 1.8/2152=5...(18) HB3 GLU 75 + QD1 LEU 72 OK 36 55 - 66 - 3.0/9258=10, ~11608=9...(21) HB VAL 63 + QD1 LEU 108 OK 33 77 - 43 - 2.1/3511=6, 10232=6...(16) HB2 GLN 111 - QD1 LEU 108 OK 19 100 - 19 - 3616/3.8=10, 10232=3 QE MET 11 - QD1 LEU 108 OK 18 100 - 18 - 10592/3.8=6, 10598/2.1=3...(4) QE MET 113 - QD1 LEU 108 OK 18 77 - 23 - 9331/2.1=5, 10232=4...(7) QE MET 11 - QD1 LEU 72 OK 17 89 - 19 - 10600/10650=2...(6) HB VAL 63 - QD1 LEU 72 OK 16 64 - 25 - 8356/3.1=4, ~9871=4...(9) QE MET 113 - QD1 LEU 72 OK 16 64 - 24 - 9331=5, 9331/2.1=4...(7) HB2 GLU 142 - QD1 LEU 108 OK 12 89 - 13 - 3.0/9259=4, 10232=2...(4) HB3 GLU 90 - QD1 LEU 72 OK 12 64 - 18 - 4.7/9913=8, ~8957=2...(4) HB ILE 56 - QD1 LEU 72 poor 10 86 - 11 - ~11009=1, 9200/10172=1 HB3 ARG 124 - QD1 LEU 108 lone 9 100 - 9 - 2204/9258=2 HB2 GLN 111 - QD1 LEU 72 lone 7 90 - 8 - 3616/3510=2 HB2 GLU 142 - QD1 LEU 72 lone 7 75 - 9 - 4.7/10227=1 HB3 GLU 90 - QD1 LEU 108 lone 5 77 - 6 - ~10076=1, 3.0/8957=1 HG3 PRO 52 - QD1 LEU 108 lone 5 92 - 5 - 3616/3.8=2 HG3 PRO 52 - QD1 LEU 72 lone 3 78 - 3 - Peak 10170 from aliabs.peaks (1.98, 0.76, 23.80 ppm; 3.47 A): 3 out of 5 assignments used, quality = 0.84: HB3 GLU 75 + QD2 LEU 108 OK 69 100 - 69 - 3.0/8642=17, 1.8/8630=11...(16) HB ILE 56 + QD2 LEU 108 OK 41 92 - 45 - 4.0/10552=9, 3.0/3504=5...(23) HB2 GLU 142 + QD2 LEU 108 OK 11 99 - 11 - ~9259=2, 10232/2.1=2 HB2 GLN 111 - QD2 LEU 108 poor 8 62 - 12 - 3616/4.0=4, 10232/2.1=2...(4) HB3 ARG 124 - QD2 LEU 108 lone 3 68 - 5 - Peak 10171 from aliabs.peaks (0.58, 0.76, 26.39 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.70: QG1 VAL 71 + QD1 LEU 72 OK 60 72 - 84 - 2.1/11549=14...(28) QG1 VAL 71 + QD1 LEU 108 OK 26 85 - 31 - 4.2/2149=6, 8515=4...(11) QG2 ILE 58 - QD1 LEU 108 poor 10 62 - 16 - 3.2/10231=3, 3.2/10231=3...(4) QG2 ILE 58 - QD1 LEU 72 lone 4 51 - 8 - 6743/4.9=1, 8631/8630=1 Peak 10172 from aliabs.peaks (1.29, 0.76, 26.39 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.79: QB ALA 104 + QD1 LEU 108 OK 62 96 - 64 - 9196/2.1=32, 10231=17...(12) QB ALA 104 + QD1 LEU 72 OK 45 84 - 54 - 9196=11, 9197/3.1=7...(22) Peak 10173 from aliabs.peaks (1.41, 0.76, 26.39 ppm; 3.94 A): 5 out of 10 assignments used, quality = 0.52: HG3 LYS 93 + QD1 LEU 72 OK 19 90 - 21 - 5.1/9035=4, 2.9/9910=3...(9) HG3 LYS 93 + QD1 LEU 108 OK 13 100 - 13 - ~8660=3, 7071/10553=2...(4) HG2 LYS 36 + QD1 LEU 72 OK 13 68 - 19 - 3.8/2150=2, 684/3.8=2...(6) HG LEU 116 + QD1 LEU 72 OK 12 72 - 17 - ~10227=4, ~10228=3...(5) HD2 LYS 114 + QD1 LEU 108 OK 11 81 - 13 - ~10175=4, ~11719=3, 10268/9915=2 HG LEU 116 - QD1 LEU 108 poor 9 85 - 10 - ~10175=5, 3884/8477=1 HB2 ARG 35 - QD1 LEU 108 lone 9 92 - 10 - 3.6/9915=4, 6220/9914=1 HG2 LYS 36 - QD1 LEU 108 lone 8 81 - 10 - 693/9914=2, 3.8/2150=1 HD2 LYS 114 - QD1 LEU 72 lone 5 68 - 7 - HB2 ARG 35 - QD1 LEU 72 lone 3 78 - 3 - Peak 10174 from aliabs.peaks (0.61, 0.76, 23.80 ppm; 3.38 A): 0 out of 2 assignments used, low quality = 0.38: QD1 LEU 132 - QD2 LEU 108 OK 24 92 - 27 - 2.1/9595=4, 10223/4.0=3...(8) QD1 LEU 66 - QD2 LEU 108 OK 18 92 - 20 - 9889/8477=3, 8474/8473=3...(8) Peak 10175 from aliabs.peaks (1.04, 0.76, 23.80 ppm; 3.01 A): 0 out of 6 assignments used, low quality = 0.34: QG2 THR 110 - QD2 LEU 108 OK 18 100 - 18 - 10177/4.0=12, 9241/3502=1 HG3 LYS 114 - QD2 LEU 108 OK 10 81 - 13 - 3.7/11719=2, 8809/8810=2...(5) QD2 LEU 116 - QD2 LEU 108 OK 10 89 - 11 - 2042/8473=2, 10224/4.0=2...(4) QG2 VAL 53 - QD2 LEU 108 lone 5 62 - 8 - 2.1/3503=2 HB2 LEU 116 - QD2 LEU 108 lone 3 77 - 4 - 3868/8477=2 HG2 ARG 35 - QD2 LEU 108 lone 2 72 - 3 - Peak 10176 from aliabs.peaks (1.01, 3.61, 60.23 ppm; 5.44 A): 4 out of 4 assignments used, quality = 0.90: QD2 LEU 69 + HA ARG 109 OK 73 96 - 76 - 10224/4.9=25...(24) QD1 LEU 116 + HA ARG 109 OK 39 92 - 43 - ~9273=9, 9297/7354=5...(15) HG12 ILE 136 + HA ARG 109 OK 25 77 - 33 - 2.1/9271=8, 11132/5.2=5...(12) QG2 VAL 53 + HA ARG 109 OK 18 68 - 26 - ~10627=14, ~10631=8...(5) Peak 10177 from aliabs.peaks (3.73, 1.04, 21.00 ppm; 3.62 A): 0 out of 3 assignments used, low quality = 0.34: HA LEU 108 - QG2 THR 110 OK 34 96 - 36 - 3472/4.4=12, 4.0/10175=9...(5) HB THR 74 - QG2 THR 110 lone 4 68 - 5 - 7320/4.4=2, 7304/4.0=1 HA2 GLY 15 - QG2 THR 110 lone 1 72 - 1 - Peak 10178 from aliabs.peaks (7.33, 4.66, 57.53 ppm; 4.33 A): 0 out of 1 assignment used, low quality = 0.16: H GLU 81 - HA GLN 111 OK 16 99 - 17 - 6879/3.9=4...(5) Peak 10179 from aliabs.peaks (7.18, 4.66, 57.53 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.72: QE TYR 115 + HA GLN 111 OK 49 100 - 49 - 9347/3.9=13, 4715=8...(11) H LYS 36 + HA GLN 111 OK 34 89 - 39 - 10243=27, 11711/2.9=8...(4) QD TYR 27 + HA GLN 111 OK 15 96 - 15 - 10243=11, 10202/3615=1 Peak 10180 from aliabs.peaks (1.04, 4.66, 57.53 ppm; 4.44 A): 2 out of 5 assignments used, quality = 0.94: QG2 THR 110 + HA GLN 111 OK 87 100 - 87 - 3603/2.9=31, 3600/5.0=25...(20) HG3 LYS 114 + HA GLN 111 OK 55 89 - 62 - 2.9/3615=21, 2.9/3741=15...(10) QD2 LEU 116 - HA GLN 111 OK 19 81 - 24 - 3588/5.0=4, ~7326=4...(10) HB2 LEU 116 - HA GLN 111 OK 17 85 - 20 - 7326/2.9=7, 3588/5.0=7...(4) HG2 ARG 35 - HA GLN 111 poor 10 81 - 12 - 6198/10243=4, 10898/5.9=3 Peak 10181 from aliabs.peaks (0.65, 4.66, 57.53 ppm; 4.81 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 64 + HA GLN 111 OK 73 98 - 74 - 8372/3.9=20...(13) QD1 LEU 126 + HA GLN 111 OK 53 100 - 53 - 9299/3.6=19...(10) QD1 ILE 56 + HA GLN 111 OK 34 100 - 34 - 1480/2.9=5, 11199/5.9=4...(11) QD2 LEU 79 + HA GLN 111 OK 10 77 - 14 - 11024/2.9=3, 11483/3.9=3...(5) Peak 10183 from aliabs.peaks (0.79, 3.41, 38.88 ppm; 5.24 A): 3 out of 6 assignments used, quality = 0.97: QD1 LEU 79 + HB3 TYR 112 OK 85 94 - 90 - ~8717=33, ~8717=30...(15) QG2 THR 74 + HB3 TYR 112 OK 66 92 - 71 - 2.1/2192=13, 9298/4.0=11...(18) QD2 LEU 126 + HB3 TYR 112 OK 38 62 - 61 - ~9303=25, ~9303=15...(10) QD2 LEU 72 - HB3 TYR 112 OK 36 100 - 36 - 9307/2.7=6, 9302/2.9=5...(12) QD2 LEU 95 - HB3 TYR 112 OK 20 98 - 20 - 9298/4.0=4, 9978/2.7=3...(8) QG1 VAL 80 - HB3 TYR 112 poor 8 62 - 13 - 9959/4.5=6, 9964/4.7=3 Peak 10184 from aliabs.peaks (8.40, 3.93, 62.06 ppm; 4.95 A): 2 out of 2 assignments used, quality = 0.85: H TYR 117 + HA TYR 112 OK 73 100 - 73 - 4.5/10245=31...(14) H GLU 75 + HA TYR 112 OK 46 100 - 46 - 6791/2.9=10, 3.6/3657=10...(11) Peak 10185 from aliabs.peaks (7.16, 4.00, 60.14 ppm; 4.42 A): 0 out of 1 assignment used, low quality = 0.27: QE TYR 115 - HA MET 113 OK 27 72 - 37 - 9311/3.6=7, 11595/3.7=5...(15) Peak 10186 from aliabs.peaks (8.42, 4.00, 60.14 ppm; 4.95 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10187 from aliabs.peaks (6.95, 2.00, 15.64 ppm; 4.92 A): 0 out of 2 assignments used, low quality = 0.24: QD PHE 23 - QE MET 113 OK 24 85 - 28 - 10248=8, 10822/3.3=4...(10) HD2 HIS 10 - QE MET 113 lone 6 81 - 7 - 4.0/9338=2, 8394/11045=1 Peak 10188 from aliabs.peaks (6.84, 2.00, 15.64 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.62: HZ2 TRP 88 + QE MET 113 OK 54 100 - 54 - 4.3/10250=20, 10249=16...(14) QD PHE 67 + QE MET 113 OK 19 100 - 19 - 10249=8, 10222/9333=2...(5) Peak 10189 from aliabs.peaks (6.56, 2.00, 15.64 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.56: QE TYR 117 + QE MET 113 OK 56 100 - 56 - 2.2/9310=29...(8) Peak 10190 from aliabs.peaks (8.42, 2.00, 15.64 ppm; 5.09 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10191 from aliabs.peaks (0.76, 2.75, 32.75 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.92: QD1 ILE 136 + HG3 MET 113 OK 55 72 - 76 - 9331/3.3=21, ~9332=16...(13) QD2 LEU 108 + HG3 MET 113 OK 47 99 - 47 - 10174/9327=9, 9257/3.7=7...(12) QD1 LEU 72 + HG3 MET 113 OK 38 94 - 41 - 9331/3.3=7, ~9331=7...(11) QG2 VAL 73 + HG3 MET 113 OK 28 85 - 33 - 9331/3.3=7, 8573/3.7=7...(8) QD1 LEU 108 + HG3 MET 113 OK 27 100 - 27 - ~9331=7, 10232/3.3=6...(6) Peak 10192 from aliabs.peaks (0.78, 2.25, 32.75 ppm; 5.62 A): 5 out of 5 assignments used, quality = 0.90: QD1 ILE 136 + HG2 MET 113 OK 71 100 - 71 - 9331/3.3=17...(11) QD1 LEU 72 + HG2 MET 113 OK 28 89 - 32 - ~9331=6, 9331/3.3=5...(10) QG2 VAL 73 + HG2 MET 113 OK 26 96 - 27 - 9318/3.7=7, 8576/1.8=5...(7) QD2 LEU 72 + HG2 MET 113 OK 26 77 - 33 - ~9331=6, ~10191=5...(10) QD1 LEU 108 + HG2 MET 113 OK 15 68 - 23 - ~9331=6, ~10191=6...(6) Peak 10193 from aliabs.peaks (3.84, 2.75, 32.75 ppm; 6.51 A): 6 out of 8 assignments used, quality = 0.93: HB2 SER 127 + HG3 MET 113 OK 53 100 - 53 - 10352/5.2=27, 4322/3.7=6...(15) HA LEU 66 + HG3 MET 113 OK 50 94 - 53 - 4.0/9327=16, 9337/3.3=14...(10) HA GLN 133 + HG3 MET 113 OK 33 100 - 34 - 9619/9328=11...(11) HD2 PRO 118 + HG3 MET 113 OK 30 85 - 35 - 4.6/11596=24, 9337/3.3=6...(4) HA ALA 104 + HG3 MET 113 OK 27 100 - 27 - 10155/3.3=8, ~9200=5...(6) HB2 SER 100 + HG3 MET 113 OK 17 72 - 23 - 9572/9328=2, 1.8/3715=2...(12) HA MET 68 - HG3 MET 113 poor 9 62 - 14 - 4.9/3715=3, 9572/9328=1...(4) HA LYS 36 - HG3 MET 113 lone 4 62 - 6 - ~11711=1, 4.9/758=1 Peak 10196 from aliabs.peaks (3.82, 2.25, 32.75 ppm; 5.34 A): 4 out of 4 assignments used, quality = 0.93: HA THR 110 + HG2 MET 113 OK 82 96 - 85 - 9337/3.3=30, 3592/3.0=29...(11) HA3 GLY 50 + HG2 MET 113 OK 30 100 - 30 - 3688/3.0=7, 3697/3.0=7...(6) HA LEU 66 + HG2 MET 113 OK 28 62 - 45 - 4.0/9326=12, 9337/3.3=10...(9) HB2 SER 100 + HG2 MET 113 OK 21 89 - 23 - 9337/3.3=4, 3688/3.0=3...(12) Peak 10197 from aliabs.peaks (7.34, 4.00, 58.65 ppm; 4.37 A): 0 out of 2 assignments used, low quality = 0.00: QD PHE 43 - HA LYS 114 lone 10 100 - 10 - 10633/3735=3, 2.7/3738=1 H GLU 81 - HA LYS 114 poor 8 72 - 11 - 10268/4.8=6, 8776/3734=2 Peak 10198 from aliabs.peaks (7.18, 4.00, 58.65 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.98: QE TYR 115 + HA LYS 114 OK 98 100 - 98 - 7432/3.6=34, 9358/3.6=33...(24) H LYS 36 - HA LYS 114 OK 44 81 - 54 - 10263/3.6=35...(8) QD TYR 27 - HA LYS 114 OK 26 92 - 28 - 2.6/10915=16...(4) Peak 10199 from aliabs.peaks (7.32, 1.65, 33.25 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.81: QD TYR 115 + HB2 LYS 114 OK 69 77 - 89 - 2.2/10200=23, ~10265=18...(19) H GLU 81 + HB2 LYS 114 OK 27 89 - 30 - 10268/3.6=17...(4) H PHE 67 + HB2 LYS 114 OK 18 62 - 28 - 11233/2.9=7, 10260/1.8=6...(8) Peak 10200 from aliabs.peaks (7.17, 1.65, 33.25 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.95: QE TYR 115 + HB2 LYS 114 OK 94 94 - 99 - 10206/3.6=32...(32) QD TYR 27 + HB2 LYS 114 OK 16 62 - 25 - ~10915=10, 10198/3.0=5...(5) Peak 10201 from aliabs.peaks (7.30, 1.45, 33.25 ppm; 4.30 A): 2 out of 3 assignments used, quality = 0.96: QD TYR 115 + HB3 LYS 114 OK 92 99 - 93 - 10260=22, 2.2/10261=18...(28) H ASP 30 + HB3 LYS 114 OK 47 100 - 47 - 10260=11, 6132/3.6=7...(11) H PHE 67 - HB3 LYS 114 OK 41 100 - 41 - 11233/2.9=14...(15) Peak 10202 from aliabs.peaks (7.18, 1.45, 33.25 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 115 + HB3 LYS 114 OK 98 100 - 99 - 9342/3.6=33...(28) H LYS 36 + HB3 LYS 114 OK 53 92 - 57 - 10263/2.9=33...(9) QD TYR 27 - HB3 LYS 114 OK 24 98 - 24 - ~10915=8, 10198/3.0=4...(6) Peak 10203 from aliabs.peaks (7.31, 1.05, 24.49 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.99: QD TYR 115 + HG3 LYS 114 OK 98 100 - 98 - 2.2/10265=32, ~9358=24...(36) H PHE 67 + HG3 LYS 114 OK 48 98 - 49 - 11233=21, 10201/2.9=7...(11) H ASP 30 - HG3 LYS 114 OK 42 96 - 43 - 6132/2.9=8, 10201/2.9=8...(9) Peak 10204 from aliabs.peaks (7.14, 1.05, 24.49 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.67: QD TYR 117 + HG3 LYS 114 OK 62 98 - 63 - 8139/3.7=24, 8140/3.7=20...(11) HZ PHE 106 + HG3 LYS 114 OK 13 68 - 20 - 2.2/11240=18 Peak 10205 from aliabs.peaks (4.66, 1.42, 29.04 ppm; 5.71 A): 3 out of 4 assignments used, quality = 0.90: HA GLN 111 + HD2 LYS 114 OK 75 100 - 75 - 3615/3.6=27, 3741/3.6=20...(11) HA ASN 139 + HD2 LYS 114 OK 54 62 - 86 - 9339=38, 3753/3.6=17...(25) HA MET 11 + HD2 LYS 114 OK 14 81 - 17 - 5.1/10599=7, 9339=6...(4) HA ASP 16 - HD2 LYS 114 lone 5 92 - 6 - 3741/3.6=1, 3753/3.6=1 Peak 10206 from aliabs.peaks (7.16, 1.42, 29.04 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.56: QE TYR 115 + HD2 LYS 114 OK 56 62 - 90 - 9341/1.8=24...(23) Peak 10207 from aliabs.peaks (7.32, 1.42, 29.04 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.84: QD TYR 115 + HD2 LYS 114 OK 69 72 - 95 - 2.2/9342=44, ~9341=20...(24) H GLU 81 + HD2 LYS 114 OK 50 92 - 55 - 10268=32, 10199/3.6=7...(11) Peak 10208 from aliabs.peaks (7.17, 4.53, 60.60 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.89: QE TYR 115 + HA TYR 115 OK 89 96 - 92 - 5.7=66, 7432/3.0=31...(11) QD TYR 27 - HA TYR 115 lone 4 68 - 7 - 5662/3.7=3, 10814/10812=1 Peak 10209 from aliabs.peaks (7.30, 2.82, 41.80 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.96: QD TYR 115 + HE3 LYS 114 OK 92 99 - 93 - 2.2/8139=30, ~9342=25...(24) H ASP 30 + HE3 LYS 114 OK 42 100 - 42 - 6132/3.0=9, 4.2/3827=7...(9) H PHE 67 - HE3 LYS 114 OK 34 100 - 34 - 11233/3.7=14...(10) Peak 10210 from aliabs.peaks (2.27, 2.76, 41.80 ppm; 3.55 A): 6 out of 36 assignments used, quality = 0.92: HG3 GLU 90 + HE3 LYS 76 OK 44 93 - 47 - 1.8/10073=16, ~10073=9...(12) HG2 GLU 90 + HE3 LYS 76 OK 38 87 - 44 - 10073=17, 10073/1.8=12...(10) HG3 GLU 90 + HE2 LYS 76 OK 34 71 - 47 - 1.8/10073=14, ~10073=10...(12) HB3 MET 113 + HE2 LYS 114 OK 33 94 - 36 - 4.7/3809=4, 3703=4...(15) HB3 MET 113 + HE3 LYS 76 OK 31 93 - 33 - 3703/1.8=4, ~3694=3...(15) HG2 GLU 90 + HE2 LYS 76 OK 28 66 - 43 - 10073=16, 10073/1.8=13...(10) HG2 MET 113 - HE3 LYS 76 OK 23 71 - 33 - 3711/1.8=3, 3.3/10211=2...(19) HB3 MET 113 - HE2 LYS 76 OK 22 71 - 31 - 3703/1.8=3, 3703=2...(13) HG2 MET 113 - HE2 LYS 114 OK 17 72 - 24 - 3.0/3703=3, 3.0/3694=2...(10) HG2 MET 113 - HE2 LYS 76 OK 16 51 - 31 - 3711/1.8=2, 3.3/10276=2...(20) HG3 GLU 90 - HE2 LYS 114 OK 11 94 - 11 - 1.8/10073=4, 3.0/10072=1 HG2 GLU 90 - HE2 LYS 114 poor 9 89 - 10 - 10073=4, 3.0/10072=1 HG3 PRO 129 - HB2 ASP 41 poor 8 65 - 12 - ~10369=2, ~9526=2...(6) HG3 PRO 129 - HE2 LYS 114 lone 7 100 - 7 - 10382/1.8=1, ~10283=1 HG2 GLU 131 - HE3 LYS 76 lone 6 83 - 7 - 10406/5.1=2, 9567/1.8=1 HG2 GLU 131 - HE2 LYS 114 lone 5 85 - 6 - 9567=1 HG2 GLU 131 - HE2 LYS 76 lone 4 62 - 7 - 10406/5.1=2, 9567/1.8=1, 9567=1 HB3 MET 113 - HB2 ASP 41 lone 3 57 - 6 - 3705/3.8=2, 4.7/898=2 HG2 GLN 62 - HE3 LYS 76 lone 3 99 - 3 - HG3 PRO 129 - HE3 LYS 76 lone 3 99 - 3 - HG3 GLN 62 - HE3 LYS 76 lone 2 98 - 3 - HG3 GLU 142 - HE3 LYS 76 lone 2 83 - 3 - HG2 GLN 62 - HE2 LYS 76 lone 2 79 - 3 - HG3 PRO 129 - HE2 LYS 76 lone 2 80 - 3 - HG3 GLN 62 - HE2 LYS 76 lone 2 78 - 2 - HG2 GLN 62 - HE2 LYS 114 lone 2 100 - 2 - HG3 GLU 142 - HE2 LYS 114 lone 2 85 - 2 - HG3 GLN 62 - HE2 LYS 114 lone 2 99 - 2 - HG3 GLU 142 - HE2 LYS 76 lone 2 62 - 3 - HG2 GLU 131 - HB2 ASP 41 lone 1 49 - 3 - ~9565=1, ~9565=1 HG2 MET 113 - HB2 ASP 41 lone 1 40 - 3 - 3713/3.8=1 HG3 GLU 90 - HB2 ASP 41 lone 1 57 - 2 - HG2 GLU 90 - HB2 ASP 41 lone 1 52 - 2 - HG2 GLN 62 - HB2 ASP 41 lone 0 63 - 0 - HG3 GLN 62 - HB2 ASP 41 lone 0 62 - 0 - HG3 GLU 142 - HB2 ASP 41 lone 0 49 - 1 - Peak 10211 from aliabs.peaks (2.01, 2.76, 41.80 ppm; 3.49 A): 7 out of 40 assignments used, quality = 0.93: HB3 GLU 90 + HE3 LYS 76 OK 43 99 - 44 - 3.0/10073=11...(11) HB2 GLU 90 + HE3 LYS 76 OK 36 83 - 43 - 3.0/10073=11, ~10073=6...(12) HB3 GLU 90 + HE2 LYS 76 OK 34 79 - 43 - 3.0/10073=10, ~10073=7...(11) QE MET 113 + HE3 LYS 76 OK 29 99 - 30 - 3727/1.8=5, 9334/3.0=4...(9) QE MET 113 + HE2 LYS 114 OK 26 100 - 27 - 3729/7.0=4, 3727=4...(11) HB2 GLU 90 + HE2 LYS 76 OK 26 62 - 42 - 3.0/10073=10, ~10073=7...(12) QE MET 113 + HE2 LYS 76 OK 22 79 - 28 - 9334/3.0=4, 3727/1.8=4...(9) HB3 GLU 90 - HE2 LYS 114 lone 9 100 - 9 - 3.0/10073=3, 11642=2 HB VAL 63 - HE3 LYS 76 lone 8 99 - 8 - 8356/3.9=3, 2.1/10932=1 HB2 GLU 90 - HE2 LYS 114 lone 8 85 - 9 - 3.0/10073=3, 1.8/11642=1 HB2 GLN 111 - HE2 LYS 114 lone 7 72 - 10 - ~10205=4, ~9340=2 QE MET 59 - HE3 LYS 76 lone 7 99 - 7 - 10408/11719=3 HB3 ARG 124 - HE2 LYS 114 lone 7 68 - 10 - ~3822=2, 3.0/3811=1...(5) HB VAL 63 - HE2 LYS 76 lone 6 79 - 8 - 8356/3.9=3, 2.1/10932=2 QE MET 11 - HE2 LYS 114 lone 6 77 - 7 - 10599/3.0=3, 10600/3.7=2 QE MET 59 - HE2 LYS 76 lone 5 80 - 6 - 10408/11719=3 HG3 GLU 122 - HE3 LYS 76 lone 5 95 - 5 - 4089/3.9=1 HB2 GLN 111 - HB2 ASP 41 lone 4 40 - 10 - 2.9/3609=1, ~3609=1 QE MET 113 - HB2 ASP 41 lone 4 63 - 6 - 3729/3.8=3 HB VAL 63 - HE2 LYS 114 lone 4 100 - 4 - HG3 GLU 122 - HE2 LYS 76 lone 4 74 - 5 - 4089/3.9=1 QE MET 59 - HE2 LYS 114 lone 3 100 - 3 - 10408/11719=1 HG3 GLU 122 - HE2 LYS 114 lone 3 96 - 3 - HB3 ARG 124 - HE3 LYS 76 lone 3 66 - 4 - 11555/3.9=1 HG3 PRO 52 - HE2 LYS 114 lone 2 94 - 2 - HB VAL 63 - HB2 ASP 41 lone 2 63 - 3 - ~8364=2 HB3 ARG 124 - HE2 LYS 76 lone 2 47 - 4 - 11555/3.9=1 HG3 PRO 52 - HE3 LYS 76 lone 2 93 - 2 - HB2 GLN 111 - HE3 LYS 76 lone 2 71 - 2 - QE MET 11 - HE3 LYS 76 lone 2 75 - 2 - HG3 PRO 52 - HE2 LYS 76 lone 1 71 - 2 - HB2 GLN 111 - HE2 LYS 76 lone 1 51 - 2 - QE MET 11 - HE2 LYS 76 lone 1 55 - 2 - HB3 GLU 90 - HB2 ASP 41 lone 1 63 - 1 - HB2 GLU 90 - HB2 ASP 41 lone 1 49 - 1 - HG3 PRO 52 - HB2 ASP 41 lone 1 57 - 1 - QE MET 59 - HB2 ASP 41 lone 0 65 - 1 - HG3 GLU 122 - HB2 ASP 41 lone 0 59 - 1 - QE MET 11 - HB2 ASP 41 lone 0 43 - 1 - HB3 ARG 124 - HB2 ASP 41 lone 0 37 - 1 - Peak 10212 from aliabs.peaks (2.42, 4.53, 60.60 ppm; 3.70 A): 4 out of 8 assignments used, quality = 0.82: QE MET 46 + HA TYR 115 OK 66 98 - 68 - 10488=33, 10479/3.0=12...(10) HB ILE 91 + HA TYR 115 OK 24 81 - 30 - ~10642=5, ~10640=4...(12) HG3 GLN 133 + HA TYR 115 OK 15 100 - 16 - 10277=6, 1.8/10277=4...(4) HG2 GLN 133 + HA TYR 115 OK 15 99 - 15 - 10277=6, 1.8/10277=5...(4) HB3 PRO 118 - HA TYR 115 lone 7 100 - 7 - 10277=3 HG2 MET 68 - HA TYR 115 lone 3 68 - 5 - 8418/3.7=1, ~8422=1 HG2 GLN 47 - HA TYR 115 lone 3 92 - 3 - HG3 GLN 47 - HA TYR 115 lone 3 92 - 3 - Peak 10213 from aliabs.peaks (1.44, 4.53, 60.60 ppm; 6.01 A): 3 out of 5 assignments used, quality = 0.94: HG12 ILE 91 + HA TYR 115 OK 72 100 - 72 - 10642/2.9=25...(17) HB3 LYS 114 + HA TYR 115 OK 67 77 - 87 - ~7422=32, ~3752=26...(14) HG2 LYS 48 + HA TYR 115 OK 39 100 - 39 - 10216/2.9=7, 7421/3.0=6...(8) HB3 LYS 123 - HA TYR 115 OK 32 89 - 37 - 1.8/10248=24...(5) HG2 LYS 24 - HA TYR 115 OK 17 100 - 17 - 10216/2.9=3, 9354/5.7=3...(5) Peak 10214 from aliabs.peaks (1.03, 4.53, 60.60 ppm; 4.70 A): 2 out of 4 assignments used, quality = 0.95: QD2 LEU 116 + HA TYR 115 OK 86 98 - 88 - 3894/3.6=33, 9366/2.9=24...(18) QG2 VAL 53 + HA TYR 115 OK 67 100 - 67 - 8236/3.7=24, 9848/5.7=21...(9) QD2 LEU 69 - HA TYR 115 OK 33 89 - 37 - 7446/3.6=11, 9369/3.0=10...(7) QG2 THR 110 - HA TYR 115 OK 12 62 - 20 - 9369/3.0=6, 7442/3.6=3...(7) Peak 10215 from aliabs.peaks (4.06, 2.95, 41.12 ppm; 5.11 A): 2 out of 5 assignments used, quality = 0.54: HD2 PRO 33 + HB2 TYR 115 OK 43 96 - 45 - 10991/1.8=10, ~10809=9...(8) HA LEU 26 + HB2 TYR 115 OK 19 100 - 20 - 492/2.5=5, 10547/9367=3...(5) HA LYS 34 - HB2 TYR 115 poor 10 62 - 15 - 3.6/3843=5, ~6172=3...(4) HA GLN 25 - HB2 TYR 115 lone 8 100 - 8 - 9345/4.5=2...(3) HA LYS 24 - HB2 TYR 115 lone 6 94 - 6 - 9345/4.5=3 Peak 10216 from aliabs.peaks (1.44, 2.69, 41.12 ppm; 5.35 A): 5 out of 5 assignments used, quality = 0.93: HG12 ILE 91 + HB3 TYR 115 OK 69 100 - 69 - 10642=20, 9359/2.5=13...(15) HD2 LYS 114 + HB3 TYR 115 OK 51 68 - 76 - 9342/4.5=19, ~10271=14...(15) HG2 LYS 48 + HB3 TYR 115 OK 32 99 - 32 - 7421/4.0=6, 4726/2.5=6...(6) HB3 LYS 123 + HB3 TYR 115 OK 19 72 - 27 - ~10248=14, 10213/2.9=4...(5) HG2 LYS 24 + HB3 TYR 115 OK 14 96 - 14 - 4720/4.5=2, 10213/2.9=2...(4) Peak 10217 from aliabs.peaks (1.00, 2.69, 41.12 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 116 + HB3 TYR 115 OK 95 100 - 96 - 10220/2.5=31...(23) HG12 ILE 136 - HB3 TYR 115 OK 39 100 - 39 - ~4728=9, 7445/4.7=9...(9) Peak 10218 from aliabs.peaks (0.59, 2.69, 41.12 ppm; 5.06 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 66 + HB3 TYR 115 OK 81 89 - 91 - 9367/1.8=31, 9365=26...(19) QD1 LEU 132 + HB3 TYR 115 OK 49 89 - 55 - 10295/4.5=16...(9) QG1 VAL 71 + HB3 TYR 115 OK 40 100 - 40 - 9367/1.8=9, 4729/2.5=7...(10) Peak 10220 from aliabs.peaks (7.32, 1.01, 27.97 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.76: QD TYR 115 + QD1 LEU 116 OK 67 72 - 92 - 2.5/10684=29...(28) H GLU 81 + QD1 LEU 116 OK 27 92 - 30 - 3.6/9373=10, 4.0/10691=4...(11) Peak 10221 from aliabs.peaks (8.65, 1.01, 27.97 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.72: H LEU 69 + QD1 LEU 116 OK 48 68 - 72 - 4.7/10228=17...(19) H LEU 42 + QD1 LEU 116 OK 45 89 - 51 - 10733/2.1=16...(14) Peak 10222 from aliabs.peaks (6.83, 1.03, 24.44 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.67: HZ2 TRP 88 + QD2 LEU 116 OK 34 96 - 35 - 5.0/9403=7, ~8924=7...(10) QD PHE 67 + QD2 LEU 116 OK 32 96 - 33 - 8524/11092=10, ~11525=5...(9) H LYS 76 + QD2 LEU 116 OK 28 72 - 38 - 9397/2.1=14, 4.6/3901=9...(9) Peak 10223 from aliabs.peaks (3.93, 1.01, 27.97 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.85: HA TYR 112 + QD1 LEU 116 OK 85 99 - 86 - 9301=34, 10245/4.6=19...(23) HD2 PRO 129 - QD1 LEU 116 poor 10 92 - 10 - 9395/3.1=3, 9381/4.6=2...(4) HA2 GLY 143 - QD1 LEU 116 lone 3 92 - 3 - HA LEU 29 - QD1 LEU 116 lone 1 62 - 2 - Peak 10224 from aliabs.peaks (2.96, 1.01, 27.97 ppm; 4.82 A): 3 out of 11 assignments used, quality = 0.93: HB2 TYR 115 + QD1 LEU 116 OK 84 92 - 92 - 1.8/10684=29...(22) HB3 PHE 67 + QD1 LEU 116 OK 33 94 - 35 - ~10222=8, ~8412=5...(10) HE2 LYS 93 + QD1 LEU 116 OK 30 89 - 34 - 5.1/10229=6, 3.0/4631=4...(13) HE2 LYS 48 - QD1 LEU 116 OK 21 92 - 23 - 4.9/10295=3, 3.6/10690=3...(9) HE3 LYS 48 - QD1 LEU 116 OK 17 77 - 22 - 4.9/10295=3, 3.6/10690=3...(9) HB3 TYR 27 - QD1 LEU 116 OK 14 85 - 16 - 11096/2.1=3, 11208/659=3...(6) HE2 LYS 85 - QD1 LEU 116 OK 13 85 - 15 - ~10290=2, ~10225=2...(6) HE3 LYS 85 - QD1 LEU 116 poor 9 62 - 14 - ~10290=2, ~10225=2...(6) HB2 ASP 30 - QD1 LEU 116 lone 6 72 - 9 - 4.4/3893=3, 11096/2.1=1 HB2 PHE 106 - QD1 LEU 116 lone 6 94 - 6 - HB2 HIS 14 - QD1 LEU 116 lone 1 62 - 2 - Peak 10225 from aliabs.peaks (2.95, 1.03, 24.44 ppm; 4.47 A): 2 out of 11 assignments used, quality = 0.97: HB2 TYR 115 + QD2 LEU 116 OK 89 98 - 91 - 9366=32, 4.7/3894=25...(20) HB2 TYR 119 + QD2 LEU 116 OK 69 89 - 78 - 2.7/11087=38...(8) HB3 PHE 67 - QD2 LEU 116 OK 36 96 - 37 - 2.6/10222=10, 10290=5...(12) HE2 LYS 93 - QD2 LEU 116 OK 32 99 - 33 - 10290=5, 1.8/10290=5...(14) HE3 LYS 93 - QD2 LEU 116 OK 32 96 - 33 - 10290=6, 1.8/10290=4...(12) HE3 LYS 48 - QD2 LEU 116 OK 22 100 - 21 - 10290=4, 1.8/10290=3...(8) HE2 LYS 48 - QD2 LEU 116 OK 22 98 - 22 - 10290=3, 1.8/10290=3...(8) HE2 LYS 85 - QD2 LEU 116 OK 19 100 - 19 - 10290=3, 1.8/10290=3...(6) HE3 LYS 85 - QD2 LEU 116 OK 19 100 - 19 - 10290=3, 1.8/10290=3...(6) HB2 PHE 106 - QD2 LEU 116 lone 5 96 - 5 - HB3 ASN 130 - QD2 LEU 116 lone 2 85 - 2 - Peak 10226 from aliabs.peaks (4.33, 1.03, 24.44 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.47: HA PRO 12 + QD2 LEU 116 OK 47 89 - 53 - 9371/2.1=30, 9375=18...(8) HA THR 18 - QD2 LEU 116 lone 8 94 - 8 - 9371/2.1=4, ~10228=1 Peak 10227 from aliabs.peaks (0.78, 1.01, 27.97 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.87: QD1 ILE 136 + QD1 LEU 116 OK 69 98 - 71 - 4639=16, 3.0/4615=10...(23) QG2 VAL 73 + QD1 LEU 116 OK 34 92 - 37 - 8596/2.1=8, 8553/4711=5...(10) QD2 LEU 72 + QD1 LEU 116 OK 21 85 - 25 - 3.2/10228=4, 8542/9394=2...(9) QD1 LEU 72 + QD1 LEU 116 OK 19 81 - 23 - 3.1/10228=4, 8541/9394=2...(7) Peak 10228 from aliabs.peaks (1.18, 1.01, 27.97 ppm; 3.49 A): 4 out of 6 assignments used, quality = 0.90: QD1 LEU 69 + QD1 LEU 116 OK 83 100 - 83 - 10296=20, 2042/2.1=16...(35) HB2 LEU 72 + QD1 LEU 116 OK 24 100 - 24 - 10296=7, 3.2/10227=4...(6) HG12 ILE 56 + QD1 LEU 116 OK 15 96 - 15 - 2.1/9393=7, 3.8/9371=3 HG2 LYS 76 + QD1 LEU 116 OK 11 62 - 18 - 10296=5, 5.1/9397=4...(4) HB3 LEU 108 - QD1 LEU 116 poor 9 81 - 11 - ~10175=3, ~10224=2...(4) QG2 THR 18 - QD1 LEU 116 lone 8 100 - 8 - 3.2/9371=2, 1844/11015=2...(4) Peak 10229 from aliabs.peaks (1.89, 1.01, 27.97 ppm; 3.81 A): 6 out of 9 assignments used, quality = 0.84: HB3 LYS 93 + QD1 LEU 116 OK 41 100 - 41 - 10295=11, 3039/2.1=5...(16) HB3 ARG 140 + QD1 LEU 116 OK 37 99 - 37 - 10295=10, 3.4/11091=9...(8) HB2 LYS 36 + QD1 LEU 116 OK 35 72 - 49 - 10295=10, 3.0/659=6...(17) HB3 LYS 48 + QD1 LEU 116 OK 17 72 - 23 - 10295=5, 1.8/10295=3...(9) HB3 GLN 111 + QD1 LEU 116 OK 12 85 - 14 - 4.6/9297=4...(4) HB3 ARG 89 + QD1 LEU 116 OK 11 77 - 15 - 3.5/11091=4, 3.5/11091=3 HB3 LYS 24 - QD1 LEU 116 poor 9 85 - 10 - 3.0/10690=2, 1.8/10295=1 HB3 ARG 141 - QD1 LEU 116 lone 5 100 - 5 - 10295=1 HB2 GLN 62 - QD1 LEU 116 lone 3 89 - 3 - Peak 10230 from aliabs.peaks (0.35, 1.03, 24.44 ppm; 3.43 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 42 + QD2 LEU 116 OK 87 100 - 87 - 9392=50, 2.1/9391=28...(22) QD1 ILE 91 + QD2 LEU 116 OK 53 96 - 55 - 2.1/3896=10, 9394/2.1=6...(21) HG2 LYS 123 + QD2 LEU 116 OK 13 89 - 15 - 9463/9400=5...(3) Peak 10231 from aliabs.peaks (1.64, 1.03, 24.44 ppm; 3.89 A): 4 out of 8 assignments used, quality = 0.73: HB2 LYS 114 + QD2 LEU 116 OK 49 92 - 53 - 4.6/9369=9, 2.9/3896=7...(18) HG2 ARG 140 + QD2 LEU 116 OK 26 77 - 34 - ~11091=7, ~10691=6...(10) HB3 LEU 26 + QD2 LEU 116 OK 17 99 - 18 - ~10870=8, ~10571=2...(4) HB3 LEU 64 + QD2 LEU 116 OK 13 68 - 19 - ~11015=10, ~10624=8 HG2 ARG 124 - QD2 LEU 116 lone 6 77 - 8 - 1.8/11090=1, ~10689=1 HD2 LYS 24 - QD2 LEU 116 lone 6 68 - 9 - 3.0/3898=1, ~10690=1 HB2 PRO 57 - QD2 LEU 116 lone 3 62 - 5 - 1.8/10498=1 HG3 LYS 34 - QD2 LEU 116 lone 1 68 - 2 - Peak 10232 from aliabs.peaks (2.41, 1.03, 24.44 ppm; 4.93 A): 3 out of 11 assignments used, quality = 0.97: HB ILE 91 + QD2 LEU 116 OK 76 98 - 77 - 3.2/10230=15...(26) HG2 MET 46 + QD2 LEU 116 OK 63 81 - 77 - ~9374=18, 1.8/10619=13...(18) QE MET 46 + QD2 LEU 116 OK 62 81 - 76 - 11094/2.1=17...(22) HB3 PRO 118 - QD2 LEU 116 OK 26 99 - 26 - 11094/2.1=7, 3.0/10292=6...(5) HG3 GLN 133 - QD2 LEU 116 OK 14 89 - 15 - 4.0/9375=4, 11094/2.1=2 HG2 GLN 133 - QD2 LEU 116 OK 13 85 - 15 - 4.0/9375=4, 11094/2.1=2 HG3 GLN 25 - QD2 LEU 116 poor 10 85 - 11 - 3.5/9403=2, ~9399=1...(4) HG2 GLN 47 - QD2 LEU 116 lone 6 68 - 9 - HG3 GLN 47 - QD2 LEU 116 lone 6 68 - 9 - HG3 MET 59 - QD2 LEU 116 lone 6 85 - 7 - HG2 MET 59 - QD2 LEU 116 lone 5 72 - 7 - Peak 10233 from aliabs.peaks (2.41, 1.40, 26.69 ppm; 4.59 A): 3 out of 22 assignments used, quality = 0.91: HB ILE 91 + HG LEU 116 OK 68 98 - 69 - 3.0/3880=9, 10232/2.1=9...(21) HG2 MET 46 + HG LEU 116 OK 51 81 - 62 - ~9374=15, ~10694=9...(14) QE MET 46 + HG LEU 116 OK 41 81 - 50 - 10492/2.1=10, 10491=7...(11) HB3 PRO 118 - HG2 ARG 49 OK 19 75 - 25 - ~10983=7, ~11552=4...(8) HB3 PRO 118 - HG LEU 116 OK 18 99 - 18 - ~9372=4, ~10292=3...(6) HG3 GLN 133 - HG2 ARG 49 OK 12 63 - 19 - 10312/3.0=5, ~10312=4...(7) HG2 GLN 133 - HG2 ARG 49 OK 11 60 - 19 - 10312/3.0=5, ~10312=4...(7) HB ILE 91 - HG2 ARG 49 OK 11 73 - 15 - ~8974=5, ~10468=4...(4) HG3 MET 59 - HG2 ARG 49 poor 9 60 - 15 - ~10576=4, 10576/3.0=3...(6) HG2 MET 59 - HG2 ARG 49 poor 8 49 - 16 - ~10576=4, 10576/3.0=4...(7) QE MET 46 - HG2 ARG 49 poor 7 57 - 12 - 10693/3.0=5, 5.2/11506=3 HG2 GLN 47 - HG2 ARG 49 poor 6 45 - 14 - 10312/3.0=4, ~10312=3...(5) HG3 GLN 47 - HG2 ARG 49 poor 6 45 - 14 - 10312/3.0=4, ~10312=3...(5) HG3 GLN 25 - HG LEU 116 lone 6 85 - 7 - ~9403=1, ~9399=1, 10232/2.1=1 HG3 GLN 25 - HG2 ARG 49 lone 5 60 - 9 - ~11512=3, 10931/3.9=2, ~10669=1 HG2 MET 46 - HG2 ARG 49 lone 5 57 - 9 - ~10693=4, 4.1/11506=3 HG3 GLN 133 - HG LEU 116 lone 4 89 - 5 - 10232/2.1=2, ~10232=1 HG2 GLN 133 - HG LEU 116 lone 4 85 - 5 - 10232/2.1=2, ~10232=1 HG3 MET 59 - HG LEU 116 lone 3 85 - 4 - HG2 MET 59 - HG LEU 116 lone 3 72 - 3 - HG3 GLN 47 - HG LEU 116 lone 2 68 - 3 - HG2 GLN 47 - HG LEU 116 lone 2 68 - 3 - Peak 10235 from aliabs.peaks (7.12, 2.41, 30.04 ppm; 5.68 A): 2 out of 3 assignments used, quality = 0.81: QE PHE 45 + HB3 PRO 118 OK 67 96 - 69 - 9427/4.3=22...(9) QD PHE 106 + HB3 PRO 118 OK 42 92 - 46 - 9426/1.8=17, 9425/2.3=15...(4) HZ PHE 106 - HB3 PRO 118 lone 7 81 - 9 - 9425/2.3=4, 11032/2.3=3 Peak 10236 from aliabs.peaks (7.23, 3.10, 61.73 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.56: QD PHE 45 + HA TYR 119 OK 48 77 - 62 - 2.2/9428=33, 3.8/9429=19...(4) H GLU 37 + HA TYR 119 OK 15 68 - 22 - ~2440=3, 10304/2.8=3...(9) Peak 10237 from aliabs.peaks (3.69, 4.19, 60.27 ppm; 5.53 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10239 from aliabs.peaks (0.93, 4.19, 60.27 ppm; 4.11 A): 5 out of 5 assignments used, quality = 0.88: HB2 LEU 64 + HA TRP 88 OK 57 89 - 65 - 3.0/10068=13, 1817=9...(25) HB2 LEU 108 + HA TRP 88 OK 46 100 - 46 - ~10069=11, 3.2/9266=10...(12) QG1 VAL 63 + HA TRP 88 OK 26 99 - 27 - 8929=5, 4.4/6613=4...(6) QD2 LEU 29 + HA TRP 88 OK 18 99 - 18 - 8929=3, 4782/5.1=2...(4) QG1 VAL 53 + HA TRP 88 OK 13 89 - 15 - 2.1/10063=2, 4782/5.1=2...(5) Peak 10240 from aliabs.peaks (4.30, 2.87, 26.59 ppm; 5.07 A): 2 out of 4 assignments used, quality = 0.58: HA PRO 118 + HB2 CYS 121 OK 53 100 - 53 - 9416=35, 10241/1.8=19...(4) HA ARG 89 + HB2 CYS 121 OK 10 96 - 11 - 10241/1.8=5, 9451/4.1=3 HA ARG 140 - HB2 CYS 121 lone 7 100 - 7 - 10241/1.8=4, 9451/4.1=2 HA SER 100 - HB2 CYS 121 lone 3 96 - 3 - 10241/1.8=1 Peak 10241 from aliabs.peaks (4.30, 2.71, 26.59 ppm; 5.69 A): 3 out of 5 assignments used, quality = 0.63: HA PRO 118 + HB3 CYS 121 OK 52 96 - 54 - 9416/1.8=38, 9415=15 HA ARG 89 + HB3 CYS 121 OK 13 100 - 13 - 10240/1.8=6, 9451/4.1=3 HA ARG 140 + HB3 CYS 121 OK 12 92 - 13 - 10316=5, 10240/1.8=4, 9451/4.1=2 HA SER 100 - HB3 CYS 121 lone 3 100 - 3 - 10240/1.8=1 HA THR 18 - HB3 CYS 121 lone 2 62 - 3 - Peak 10243 from aliabs.peaks (7.02, 1.53, 29.51 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.66: HZ PHE 45 + HB2 GLU 122 OK 59 62 - 94 - ~10321=39, 2.2/9446=39...(16) HZ PHE 67 + HB2 GLU 122 OK 19 92 - 20 - 10244/3.0=9, 10322/1.8=4...(4) Peak 10244 from aliabs.peaks (7.02, 2.09, 34.87 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.68: HZ PHE 45 + HG2 GLU 122 OK 58 62 - 93 - ~10321=34, ~10247=31...(12) HZ PHE 67 + HG2 GLU 122 OK 23 92 - 25 - 10243/3.0=9, 10323=8...(4) Peak 10245 from aliabs.peaks (7.01, 2.01, 34.87 ppm; 6.65 A): 1 out of 4 assignments used, quality = 0.96: HZ PHE 45 + HG3 GLU 122 OK 96 100 - 96 - ~10321=41, ~10247=37...(15) HZ PHE 67 - HG3 GLU 122 OK 18 98 - 18 - 10244/1.8=7, 10243/3.0=5...(4) HH2 TRP 17 - HG3 GLU 122 lone 8 85 - 9 - 10246/3.0=3, 10323/1.8=2...(4) HE21 GLN 25 - HG3 GLU 122 lone 6 89 - 7 - 10246/3.0=2 Peak 10246 from aliabs.peaks (7.00, 1.95, 29.51 ppm; 5.52 A): 1 out of 5 assignments used, quality = 0.84: HZ PHE 45 + HB3 GLU 122 OK 84 92 - 92 - 2.2/10321=48, ~9446=31...(15) HH2 TRP 17 - HB3 GLU 122 lone 10 100 - 9 - 5588/10321=2...(5) HE21 GLN 25 - HB3 GLU 122 lone 5 100 - 5 - HZ PHE 67 - HB3 GLU 122 lone 5 62 - 8 - 10324/3.0=3, 4742/3.0=2 QE PHE 43 - HB3 GLU 122 lone 3 72 - 5 - Peak 10247 from aliabs.peaks (7.11, 1.95, 29.51 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.77: QE PHE 45 + HB3 GLU 122 OK 77 96 - 80 - 9446/1.8=31...(14) H MET 68 - HB3 GLU 122 lone 5 92 - 5 - 6662/4.0=2 Peak 10248 from aliabs.peaks (4.53, 1.51, 31.59 ppm; 5.34 A): 0 out of 3 assignments used, low quality = 0.29: HA TYR 115 - HB2 LYS 123 OK 18 98 - 19 - 10213/1.8=5, ~10216=3...(6) HA HIS 14 - HB2 LYS 123 OK 14 89 - 15 - 3.6/4106=14 HA ASP 13 - HB2 LYS 123 lone 3 100 - 3 - Peak 10249 from aliabs.peaks (0.11, 0.65, 24.26 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.62: QG1 VAL 73 + QD1 LEU 126 OK 62 89 - 70 - 4.4/9496=18, 8587=12...(19) Peak 10250 from aliabs.peaks (0.45, 0.65, 24.26 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.53: QG2 VAL 82 + QD1 LEU 126 OK 32 72 - 44 - 8797/10249=9, 8616/2.1=6...(17) HG2 LYS 114 + QD1 LEU 126 OK 31 100 - 31 - 8702/9497=8, 9358/4749=5...(11) Peak 10251 from aliabs.peaks (2.01, 4.15, 56.34 ppm; 4.82 A): 4 out of 10 assignments used, quality = 0.66: HB3 ARG 124 + HA LEU 126 OK 49 68 - 72 - ~11083=14, 11081/4.3=11...(18) QE MET 59 + HA LEU 126 OK 15 100 - 15 - 10409/4.0=6, 6.2/4273=5 HB VAL 63 + HA LEU 126 OK 13 100 - 13 - 2.1/9875=6, 2.1/9831=3, ~8355=2 QE MET 113 + HA LEU 126 OK 12 100 - 12 - 9336/3.0=4, 10662/4271=2 HB2 GLN 111 - HA LEU 126 poor 8 72 - 11 - 11592/4.0=9 HB2 GLU 90 - HA LEU 126 lone 7 85 - 8 - ~2915=2, 3.0/10252=1...(4) HB3 GLU 90 - HA LEU 126 lone 5 100 - 5 - ~2915=2, 3.0/10252=1 HG3 PRO 52 - HA LEU 126 lone 4 94 - 4 - 11592/4.0=3 HG3 GLU 122 - HA LEU 126 lone 2 96 - 2 - QE MET 11 - HA LEU 126 lone 1 77 - 2 - Peak 10252 from aliabs.peaks (2.27, 4.15, 56.34 ppm; 5.27 A): 8 out of 10 assignments used, quality = 0.89: HG2 GLU 131 + HA LEU 126 OK 48 100 - 48 - 1.8/4462=10, 2.9/4448=9...(9) HG2 GLU 120 + HA LEU 126 OK 43 89 - 48 - 10340/3.0=14...(9) HG3 GLU 142 + HA LEU 126 OK 24 100 - 24 - ~11582=8, 9559/3.9=4...(7) HG3 GLU 120 + HA LEU 126 OK 19 62 - 31 - ~10340=12, ~11604=7...(7) HG2 GLN 62 + HA LEU 126 OK 14 72 - 19 - 3.5/4266=6, 9494/4.0=4...(4) HB3 MET 113 + HA LEU 126 OK 13 100 - 13 - 4.2/10251=3, 9323/4271=2 HG3 GLN 62 + HA LEU 126 OK 12 68 - 18 - 3.5/4266=6, 10340/3.0=4...(4) HG3 GLU 75 + HA LEU 126 OK 10 62 - 16 - 1.8/8646=5, 3.0/8647=3...(4) HG2 GLU 90 - HA LEU 126 lone 10 100 - 10 - 3.0/10251=2, 3.0/10251=2 HG3 PRO 129 - HA LEU 126 lone 5 81 - 7 - Peak 10253 from aliabs.peaks (4.28, 0.65, 24.26 ppm; 3.42 A): 2 out of 5 assignments used, quality = 0.76: HA3 GLY 78 + QD1 LEU 126 OK 70 100 - 70 - 1.8/10256=26...(11) HA LEU 95 + QD1 LEU 126 OK 21 100 - 21 - 3.0/10257=4, 3124/2.1=3...(11) HB THR 99 - QD1 LEU 126 lone 5 85 - 6 - ~10164=2, ~10123=2 HA ARG 49 - QD1 LEU 126 lone 5 85 - 5 - 5.2/10256=1...(3) HA SER 138 - QD1 LEU 126 lone 3 85 - 4 - Peak 10254 from aliabs.peaks (3.32, 0.65, 24.26 ppm; 4.10 A): 3 out of 3 assignments used, quality = 0.93: HD2 ARG 124 + QD1 LEU 126 OK 87 92 - 94 - 3.0/11071=24...(29) HD3 ARG 109 + QD1 LEU 126 OK 41 100 - 41 - 5.2/9272=6, 10682/2.1=5...(17) HB2 TRP 88 + QD1 LEU 126 OK 13 89 - 15 - 1.8/10256=3, 10682/2.1=2...(4) Peak 10255 from aliabs.peaks (3.22, 0.65, 24.26 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.95: HD3 ARG 124 + QD1 LEU 126 OK 95 99 - 96 - 3.0/11071=25...(31) HD3 ARG 140 - QD1 LEU 126 OK 20 100 - 21 - 4229/11071=3...(10) HD2 ARG 140 - QD1 LEU 126 OK 20 100 - 20 - 4238/11072=3...(10) HB3 TYR 117 - QD1 LEU 126 lone 9 100 - 9 - 3.9/10300=3, 1.8/10298=1 HG3 MET 46 - QD1 LEU 126 lone 7 99 - 7 - 9929/11376=2 HD3 ARG 141 - QD1 LEU 126 lone 4 77 - 5 - 3.0/10257=1 Peak 10256 from aliabs.peaks (3.09, 0.65, 24.26 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.68: HA2 GLY 78 + QD1 LEU 126 OK 68 94 - 72 - 1.8/10253=26...(10) HD3 ARG 49 - QD1 LEU 126 lone 9 92 - 10 - 2352/10253=2...(3) HB3 TRP 88 - QD1 LEU 126 lone 7 72 - 9 - 1.8/10254=3, ~10682=1 HB3 HIS 10 - QD1 LEU 126 lone 4 100 - 4 - 3.0/10342=2 HB3 ASP 30 - QD1 LEU 126 lone 1 62 - 1 - Peak 10257 from aliabs.peaks (1.68, 0.65, 24.26 ppm; 3.77 A): 5 out of 12 assignments used, quality = 0.56: HB2 LEU 95 + QD1 LEU 126 OK 20 68 - 30 - 3.0/10253=7, ~3140=3...(11) HD3 LYS 93 + QD1 LEU 126 OK 19 62 - 30 - 3.4/4301=8, ~4293=4...(9) HB2 MET 68 + QD1 LEU 126 OK 12 92 - 13 - 8430/2.1=3, 9893/11376=2 HB2 ARG 145 + QD1 LEU 126 OK 12 81 - 15 - 2.9/4300=2, 2.9/4300=2 HD3 LYS 48 + QD1 LEU 126 OK 11 94 - 11 - 3069/4301=1, 3.6/4301=1 HG13 ILE 136 - QD1 LEU 126 poor 10 72 - 13 - 3.7/9492=3 HB VAL 71 - QD1 LEU 126 poor 8 68 - 12 - 10593=5, 3.8/9497=2...(5) HD2 LYS 48 - QD1 LEU 126 poor 7 68 - 11 - 3.6/4301=1 HG LEU 26 - QD1 LEU 126 lone 6 85 - 7 - ~10961=3 HG3 ARG 141 - QD1 LEU 126 lone 4 100 - 4 - HG2 ARG 89 - QD1 LEU 126 lone 3 68 - 5 - 3.8/10341=1 HG LEU 97 - QD1 LEU 126 lone 2 99 - 2 - Peak 10258 from aliabs.peaks (3.53, 0.65, 24.26 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.61: HA2 GLY 77 + QD1 LEU 126 OK 61 94 - 64 - 3.6/9497=31, 3.0/8673=21...(7) HD3 PRO 52 - QD1 LEU 126 lone 5 68 - 7 - 2.3/11592=3...(3) HB2 PHE 45 - QD1 LEU 126 lone 4 100 - 4 - 6832/8673=1, 6837/9497=1 Peak 10259 from aliabs.peaks (4.62, 0.65, 24.26 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.73: HA ARG 124 + QD1 LEU 126 OK 73 77 - 94 - 3.6/9496=29...(26) HA PRO 129 - QD1 LEU 126 poor 6 62 - 10 - 10277/4749=2...(4) Peak 10260 from aliabs.peaks (8.33, 0.79, 22.25 ppm; 3.99 A): 5 out of 6 assignments used, quality = 0.88: H VAL 71 + QD2 LEU 72 OK 63 77 - 82 - 3.4/2141=21, 2.9/9955=14...(22) H GLY 78 + QG2 THR 74 OK 43 54 - 79 - 8558/3.2=29, 8693/2.1=19...(15) H GLY 78 + QD2 LEU 72 OK 19 92 - 20 - 3.0/9954=4, 8561/9948=4...(7) H VAL 71 + QG2 THR 74 OK 18 43 - 43 - 2.9/8496=11, 3.4/2141=6...(10) H GLY 78 + QD1 LEU 79 OK 13 29 - 44 - 8700=8, 4.4/6851=7...(11) H VAL 71 - QD1 LEU 79 poor 5 22 - 21 - 2.9/8496=6, 3.6/8480=3...(5) Peak 10261 from aliabs.peaks (1.84, 3.84, 64.70 ppm; 4.75 A): 3 out of 5 assignments used, quality = 0.87: HB VAL 80 + HB2 SER 127 OK 82 92 - 89 - ~9951=30, ~9521=29...(10) HB3 MET 68 + HB2 SER 127 OK 18 68 - 27 - 1.8/1960=4, ~4326=4...(10) HB2 LYS 93 + HB2 SER 127 OK 16 96 - 16 - 7585/4.0=8, 10262/1.8=7 HB2 ARG 141 - HB2 SER 127 lone 3 72 - 5 - 2427/9520=1 HD3 LYS 36 - HB2 SER 127 lone 1 62 - 2 - Peak 10262 from aliabs.peaks (1.84, 4.00, 64.70 ppm; 5.04 A): 3 out of 4 assignments used, quality = 0.68: HB VAL 80 + HB3 SER 127 OK 54 62 - 86 - 2.1/9521=41...(9) HB2 LYS 93 + HB3 SER 127 OK 19 100 - 19 - 7585/4.0=9, 10261/1.8=5 HB3 GLU 28 + HB3 SER 127 OK 14 68 - 20 - 3.0/9502=8, ~9501=5...(5) HB3 LYS 76 - HB3 SER 127 poor 7 62 - 11 - 4.0/6806=5, 4.6/8683=3 Peak 10263 from aliabs.peaks (2.16, 5.28, 50.43 ppm; 4.87 A): 0 out of 4 assignments used, low quality = 0.19: HG LEU 29 - HA ASN 128 OK 19 100 - 19 - 364/3.8=7, 10533/3.0=7 HG3 PRO 118 - HA ASN 128 lone 4 68 - 6 - 1.8/9505=1, ~9500=1 HG2 GLU 81 - HA ASN 128 lone 2 96 - 2 - HB3 GLN 133 - HA ASN 128 lone 1 62 - 2 - Peak 10264 from aliabs.peaks (2.08, 2.80, 39.64 ppm; 5.19 A): 2 out of 10 assignments used, quality = 1.00: HB2 PRO 129 + HB2 ASN 128 OK 99 100 - 100 - 3.0/9526=30...(38) HB2 GLU 131 + HB2 ASN 128 OK 98 100 - 98 - ~9517=30, 2.9/9518=30...(31) HB3 GLU 142 - HB2 ASN 128 OK 40 77 - 52 - 3.0/9519=8, 9500/3.9=7...(20) HG3 PRO 33 - HB2 ASN 128 OK 28 99 - 28 - 2.3/9518=5, 9515/1.8=4...(12) HB3 LYS 61 - HB2 ASN 128 OK 26 100 - 26 - 9515/1.8=4, 4360/4.8=4...(11) HD2 ARG 49 - HB2 ASN 128 OK 18 100 - 18 - 4352/4.8=4, 4360/4.8=4...(5) HG2 PRO 33 - HB2 ASN 128 OK 17 62 - 27 - 2.3/9518=5, ~9515=3...(12) HG2 GLU 122 - HB2 ASN 128 OK 10 89 - 12 - 9515/1.8=2, 10323/3.4=1...(6) HB2 LEU 26 - HB2 ASN 128 lone 9 100 - 9 - 4360/4.8=2, 4352/4.8=2...(4) HA ARG 35 - HB2 ASN 128 lone 1 68 - 1 - Peak 10265 from aliabs.peaks (0.81, 3.84, 64.70 ppm; 4.34 A): 5 out of 6 assignments used, quality = 0.94: QG1 VAL 80 + HB2 SER 127 OK 86 100 - 86 - ~9951=26, ~9521=25...(13) QD2 LEU 126 + HB2 SER 127 OK 28 100 - 28 - 7588/4.0=13, 10266/1.8=6...(6) QG2 THR 74 + HB2 SER 127 OK 18 85 - 22 - 4.3/6787=6, 7588/4.0=4...(4) QD1 LEU 79 + HB2 SER 127 OK 17 81 - 21 - 10266/1.8=4, 7588/4.0=3...(7) QD2 LEU 95 + HB2 SER 127 OK 15 72 - 21 - 10266/1.8=5, ~10364=4...(5) HG LEU 42 - HB2 SER 127 poor 7 57 - 12 - 10366/4.7=5, 10364/1.8=3 Peak 10266 from aliabs.peaks (0.81, 4.00, 64.70 ppm; 4.40 A): 5 out of 5 assignments used, quality = 0.94: QG1 VAL 80 + HB3 SER 127 OK 84 100 - 84 - 2.1/9521=36...(13) QD2 LEU 126 + HB3 SER 127 OK 27 100 - 27 - 7588/4.0=13, 10265/1.8=6...(5) QD2 LEU 95 + HB3 SER 127 OK 23 85 - 27 - ~10363=13, 10265/1.8=3...(6) QD1 LEU 79 + HB3 SER 127 OK 17 92 - 19 - 10265/1.8=4, 7588/4.0=3...(5) QG2 THR 74 + HB3 SER 127 OK 16 94 - 17 - 10265/1.8=4, 4.3/6794=4...(4) Peak 10267 from aliabs.peaks (1.95, 4.63, 65.40 ppm; 4.09 A): 3 out of 10 assignments used, quality = 0.78: HB3 LEU 132 + HA PRO 129 OK 57 77 - 74 - 3.2/10270=26...(10) HB2 LYS 61 + HA PRO 129 OK 34 94 - 37 - 3.0/10269=7, 1663/2.3=6...(12) HB3 GLU 122 + HA PRO 129 OK 20 100 - 20 - 11034/10270=4...(8) HB ILE 136 - HA PRO 129 lone 4 62 - 7 - 4505/10270=2, 7667/10403=1 HG2 PRO 12 - HA PRO 129 lone 4 100 - 4 - HB3 PRO 98 - HA PRO 129 lone 3 100 - 3 - HB2 LYS 34 - HA PRO 129 lone 2 72 - 3 - HB3 MET 11 - HA PRO 129 lone 2 68 - 2 - HG2 PRO 52 - HA PRO 129 lone 2 77 - 2 - HB3 PRO 52 - HA PRO 129 lone 1 72 - 2 - Peak 10268 from aliabs.peaks (1.38, 4.63, 65.40 ppm; 4.77 A): 3 out of 7 assignments used, quality = 0.94: HG LEU 132 + HA PRO 129 OK 84 100 - 84 - 2.1/10270=40, ~10273=21...(9) HG2 LYS 86 + HA PRO 129 OK 43 72 - 59 - 2.9/4370=12, ~4386=10...(11) HB3 ARG 49 + HA PRO 129 OK 34 72 - 47 - 5.1/11684=15, ~1253=6...(13) HB3 LEU 39 - HA PRO 129 lone 9 100 - 9 - 4506/10270=2...(5) HB VAL 82 - HA PRO 129 poor 9 68 - 13 - 9949/9952=4, 2.1/8822=2...(5) HB2 LEU 69 - HA PRO 129 lone 9 96 - 9 - 4506/10270=2...(4) HB2 ARG 109 - HA PRO 129 lone 4 77 - 6 - Peak 10269 from aliabs.peaks (1.27, 4.63, 65.40 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.92: HB2 LEU 132 + HA PRO 129 OK 81 98 - 83 - 3.2/10270=31...(10) HG3 LYS 61 + HA PRO 129 OK 42 92 - 46 - 3.0/10267=9, 8334/3.6=5...(20) HG2 LYS 61 + HA PRO 129 OK 26 62 - 42 - 3.0/10267=9, 3.0/4368=4...(18) HB3 LEU 97 - HA PRO 129 lone 10 96 - 10 - 4504/10270=2...(5) QG2 THR 99 - HA PRO 129 lone 9 100 - 9 - 10150/10403=2...(3) QG2 THR 102 - HA PRO 129 lone 2 100 - 2 - Peak 10270 from aliabs.peaks (0.40, 4.63, 65.40 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.82: QD2 LEU 132 + HA PRO 129 OK 80 98 - 82 - 9591=39, 10368/2.3=18...(13) HG3 LYS 123 + HA PRO 129 OK 11 77 - 15 - 7669/10403=3...(7) Peak 10271 from aliabs.peaks (0.58, 4.63, 65.40 ppm; 5.22 A): 0 out of 2 assignments used, low quality = 0.29: QG1 VAL 71 - HA PRO 129 OK 19 81 - 24 - ~10284=7, 8513/3.8=3...(7) QG2 ILE 58 - HA PRO 129 OK 12 68 - 18 - 7670/10403=3...(6) Peak 10272 from aliabs.peaks (2.19, 3.00, 39.64 ppm; 4.88 A): 4 out of 7 assignments used, quality = 0.86: HG2 PRO 129 + HB3 ASN 128 OK 62 62 - 100 - ~4347=28, ~4349=28...(38) HB3 LYS 86 + HB3 ASN 128 OK 46 98 - 47 - 10362/3.0=9, 4354/4.8=9...(12) HB2 MET 113 + HB3 ASN 128 OK 20 100 - 19 - 1.8/9516=4, ~9519=4...(7) HB2 GLN 25 + HB3 ASN 128 OK 13 68 - 20 - 4362/4.8=6, 4354/4.8=6...(6) HB3 PRO 57 - HB3 ASN 128 lone 10 100 - 10 - 4362/4.8=2, 10362/3.0=2 HG2 GLU 75 - HB3 ASN 128 lone 4 77 - 5 - HB2 MET 46 - HB3 ASN 128 lone 3 100 - 3 - Peak 10273 from aliabs.peaks (0.42, 2.60, 31.98 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 132 + HB3 PRO 129 OK 85 92 - 92 - 10368=39, 9591/2.3=37...(18) Peak 10274 from aliabs.peaks (2.81, 3.92, 50.80 ppm; 3.91 A): 1 out of 5 assignments used, quality = 0.94: HB2 ASN 128 + HD2 PRO 129 OK 94 94 - 99 - 4.8=53, 3.0/4347=34...(37) HB3 ASN 139 - HD2 PRO 129 OK 28 94 - 30 - 9526/1.8=6, ~10382=6...(9) HB2 ASN 130 - HD2 PRO 129 OK 28 77 - 36 - 4.0/7621=13...(7) HB3 ASP 41 - HD2 PRO 129 OK 11 77 - 14 - 4331/3.8=4, 9526/1.8=3...(6) HE3 LYS 114 - HD2 PRO 129 lone 6 89 - 7 - 10283/3.0=2 Peak 10275 from aliabs.peaks (2.99, 3.92, 50.80 ppm; 3.90 A): 4 out of 5 assignments used, quality = 0.91: HB3 ASN 128 + HD2 PRO 129 OK 81 81 - 99 - 4.8=53, 3.0/4347=34...(38) HA VAL 71 + HD2 PRO 129 OK 27 98 - 28 - 9527/2.3=8, 9525/1.8=7...(8) HA VAL 82 + HD2 PRO 129 OK 24 96 - 25 - 9525/1.8=5, 4332/3.8=5...(9) HB2 ASP 30 + HD2 PRO 129 OK 19 72 - 26 - 9525/1.8=9, 10284/3.0=3...(13) HB2 HIS 14 - HD2 PRO 129 lone 3 81 - 3 - 9525/1.8=1 Peak 10276 from aliabs.peaks (6.57, 4.63, 65.40 ppm; 3.76 A): 0 out of 1 assignment used, low quality = 0.26: QE TYR 117 - HA PRO 129 OK 26 72 - 35 - 9409=14, 9532/3.8=8...(5) Peak 10277 from aliabs.peaks (7.17, 4.63, 65.40 ppm; 5.70 A): 0 out of 2 assignments used, low quality = 0.45: QE TYR 115 - HA PRO 129 OK 45 94 - 48 - 10281/2.3=28...(7) QD TYR 27 - HA PRO 129 lone 5 62 - 8 - ~10284=5 Peak 10278 from aliabs.peaks (6.59, 3.95, 50.80 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10281 from aliabs.peaks (7.17, 2.09, 31.98 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.42: QE TYR 115 - HB2 PRO 129 OK 42 85 - 49 - 10277/2.3=43, 9350/2.3=3 Peak 10282 from aliabs.peaks (2.81, 2.17, 27.79 ppm; 5.74 A): 1 out of 5 assignments used, quality = 0.96: HB2 ASN 128 + HG2 PRO 129 OK 96 96 - 100 - 3.0/9529=44, ~4347=37...(35) HB3 ASN 139 - HG2 PRO 129 OK 42 96 - 44 - ~10382=14, 10383/2.3=11...(6) HB2 ASN 130 - HG2 PRO 129 OK 35 72 - 49 - 4.0/7619=19...(6) HB3 ASP 41 - HG2 PRO 129 OK 16 81 - 19 - 10369/2.3=5, 10383/2.3=5...(5) HE3 LYS 114 - HG2 PRO 129 OK 10 85 - 12 - 10283/2.3=3, 10382/1.8=2...(4) Peak 10283 from aliabs.peaks (2.81, 2.09, 31.98 ppm; 4.62 A): 3 out of 7 assignments used, quality = 0.95: HB2 ASN 128 + HB2 PRO 129 OK 88 89 - 99 - 10369/3.0=25...(36) HB2 ASN 130 + HB2 PRO 129 OK 39 85 - 46 - 7624/4.1=24, 10382/2.3=8...(7) HB3 ASN 139 + HB2 PRO 129 OK 26 89 - 30 - ~10382=9, 10369/3.0=7...(6) HB2 ASN 139 - HB2 PRO 129 OK 22 62 - 36 - ~10369=6, ~9526=6...(9) HE3 LYS 114 - HB2 PRO 129 OK 14 94 - 15 - 8139/10281=4, 7624/4.1=3...(5) HB3 ASP 41 - HB2 PRO 129 poor 8 68 - 12 - 10369/3.0=4, 9526/3.0=3...(4) HB2 ASP 40 - HB2 PRO 129 lone 2 68 - 3 - 7624/4.1=1 Peak 10284 from aliabs.peaks (2.97, 2.09, 31.98 ppm; 5.73 A): 3 out of 4 assignments used, quality = 0.80: HB2 ASP 30 + HB2 PRO 129 OK 50 100 - 50 - 9525/3.0=21, 9527/2.3=11...(14) HA VAL 71 + HB2 PRO 129 OK 48 92 - 53 - 9527/2.3=17, 9525/3.0=17...(6) HB3 TYR 27 + HB2 PRO 129 OK 24 100 - 24 - 9527/2.3=7, 9525/3.0=7...(5) HB2 HIS 14 - HB2 PRO 129 lone 10 100 - 10 - 9525/3.0=3, 9527/2.3=2 Peak 10285 from aliabs.peaks (2.42, 4.57, 55.90 ppm; 3.83 A): 7 out of 9 assignments used, quality = 0.94: HG3 GLN 133 + HA ASN 130 OK 59 96 - 61 - 4.5/7674=17, 2.9/4529=15...(10) HG2 GLN 133 + HA ASN 130 OK 59 98 - 60 - 4.5/7674=17, 2.9/4529=15...(9) HB3 PRO 33 + HA ASN 130 OK 25 92 - 28 - ~9541=6, 9539/3.0=5...(8) QE MET 46 + HA ASN 130 OK 22 99 - 22 - 10481/3.0=8, 10687/2.9=5...(4) HB3 PRO 118 + HA ASN 130 OK 20 81 - 24 - 4.3/10287=13, 2.3/4415=3...(6) HG2 GLN 47 + HA ASN 130 OK 12 100 - 12 - 8179=3, 1.8/8179=2, 4549/7674=1 HG3 GLN 47 + HA ASN 130 OK 12 100 - 12 - 8179=3, 1.8/8179=2, 4549/7674=1 HG2 MET 68 - HA ASN 130 lone 3 98 - 3 - HG2 MET 11 - HA ASN 130 lone 3 68 - 4 - Peak 10286 from aliabs.peaks (7.76, 4.57, 55.90 ppm; 5.37 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10287 from aliabs.peaks (7.84, 4.57, 55.90 ppm; 5.56 A): 0 out of 1 assignment used, low quality = 0.29: H TYR 119 - HA ASN 130 OK 29 85 - 34 - 10305/4775=10...(9) Peak 10288 from aliabs.peaks (3.84, 2.46, 36.81 ppm; 5.24 A): 3 out of 6 assignments used, quality = 0.85: HB2 SER 127 + HG3 GLU 131 OK 79 100 - 80 - 9501=28, 9501/2.9=26...(8) HA GLN 133 + HG3 GLU 131 OK 16 100 - 16 - 9617/8750=3, 9614/9561=2...(5) HA LEU 66 + HG3 GLU 131 OK 14 100 - 14 - 3.6/8401=7...(3) HB2 SER 100 - HG3 GLU 131 poor 10 89 - 11 - 4.1/4467=3, 9165/8750=2 HA ALA 104 - HG3 GLU 131 lone 9 98 - 9 - 8747/8750=1, 4326/9502=1 HD2 PRO 118 - HG3 GLU 131 poor 7 68 - 11 - 11045/9561=1 Peak 10289 from aliabs.peaks (4.62, 4.14, 58.26 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.73: HA PRO 129 + HA GLU 131 OK 65 72 - 89 - 10402=50, 3.6/9546=32...(14) HA ARG 124 + HA GLU 131 OK 23 85 - 27 - 10403/3.6=7, 9952/9555=3...(11) Peak 10290 from aliabs.peaks (0.80, 2.09, 30.00 ppm; 4.50 A): 3 out of 12 assignments used, quality = 0.94: QG1 VAL 80 + HB2 GLU 131 OK 84 100 - 85 - 9990/2.9=19, 9557/1.8=19...(17) QD2 LEU 126 + HB2 GLU 131 OK 47 100 - 48 - 9559/2.9=8, 9990/2.9=8...(16) QD1 LEU 79 + HB3 LYS 61 OK 23 86 - 27 - ~8728=5, 2399/3.6=3...(10) QD2 LEU 95 - HB2 GLU 131 OK 21 94 - 22 - ~9554=5, 9554/3.0=4...(6) QG1 VAL 80 - HB3 LYS 61 OK 20 89 - 23 - 2.1/8752=4, ~9987=4...(6) QD1 LEU 79 - HB2 GLU 131 OK 13 98 - 14 - 9554/3.0=3, 9559/2.9=3...(5) QG2 THR 74 - HB2 GLU 131 lone 8 99 - 8 - 9559/2.9=2, 9554/3.0=2...(4) QG2 THR 74 - HB3 LYS 61 lone 5 88 - 6 - 4.3/1671=3 QD2 LEU 126 - HB3 LYS 61 lone 5 89 - 5 - QD2 LEU 95 - HB3 LYS 61 lone 3 81 - 3 - QD2 LEU 72 - HB2 GLU 131 lone 3 72 - 4 - QD2 LEU 72 - HB3 LYS 61 lone 2 60 - 3 - 9947/8332=1 Peak 10291 from aliabs.peaks (0.92, 2.09, 30.00 ppm; 4.16 A): 2 out of 10 assignments used, quality = 0.54: QD2 LEU 29 + HB2 GLU 131 OK 41 100 - 41 - 8066/1.8=12, ~8065=7...(10) QG1 VAL 63 + HB2 GLU 131 OK 22 85 - 25 - 10937/1.8=7, 9875/3.0=4...(6) QG1 VAL 63 - HB3 LYS 61 poor 10 72 - 13 - 8341/4.6=5, 8350/8332=2...(4) QG1 VAL 53 - HB2 GLU 131 poor 9 62 - 15 - 9548/4.6=5, 9555/3.0=2 HB2 LEU 64 - HB2 GLU 131 lone 7 100 - 7 - 3.8/11644=3 QD2 LEU 29 - HB3 LYS 61 lone 6 90 - 7 - 8341/4.6=2 HB2 LEU 64 - HB3 LYS 61 lone 5 89 - 6 - 8341/4.6=2 HB2 LEU 108 - HB3 LYS 61 lone 4 81 - 5 - QG1 VAL 53 - HB3 LYS 61 lone 3 51 - 5 - HB2 LEU 108 - HB2 GLU 131 lone 2 94 - 2 - Peak 10292 from aliabs.peaks (0.78, 4.08, 57.69 ppm; 4.10 A): 5 out of 6 assignments used, quality = 0.90: QD1 ILE 136 + HA LEU 132 OK 76 92 - 83 - 9686/3.8=25, 9685/4.0=14...(26) QD2 LEU 72 + HA LEU 132 OK 27 94 - 29 - 9947/4.0=13, 9595/3.8=4...(6) QG2 VAL 73 + HA LEU 132 OK 21 81 - 26 - 10297/4.0=7, 9595/3.8=5...(6) QD1 LEU 72 + HA LEU 132 OK 16 68 - 23 - 10420/4.0=6, 9595/3.8=4...(7) QD1 LEU 79 + HA LEU 132 OK 15 62 - 24 - 8741/3.8=6, 9947/4.0=5...(8) QD2 LEU 95 - HA LEU 132 poor 9 72 - 13 - ~9547=2, 9595/3.8=2...(6) Peak 10293 from aliabs.peaks (3.99, 0.41, 25.33 ppm; 4.54 A): 3 out of 7 assignments used, quality = 0.94: HA MET 113 + QD2 LEU 132 OK 88 99 - 89 - 9319/2.1=28, 3.7/9328=24...(17) HB3 SER 127 + QD2 LEU 132 OK 32 100 - 32 - 9951/8756=13, 1.8/9572=3...(7) HA LEU 69 + QD2 LEU 132 OK 30 68 - 45 - 3.0/4506=6, ~8467=5...(18) HA LYS 114 - QD2 LEU 132 OK 24 96 - 25 - 10198/9570=6...(9) HA GLU 75 - QD2 LEU 132 OK 24 72 - 33 - ~8623=9, 3.6/8649=7...(12) HB2 SER 138 - QD2 LEU 132 OK 18 100 - 18 - 10332/9686=2...(7) HB3 SER 138 - QD2 LEU 132 OK 17 99 - 17 - 10332/9686=2...(7) Peak 10294 from aliabs.peaks (6.56, 0.60, 23.67 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.78: QE TYR 117 + QD1 LEU 132 OK 78 100 - 78 - 9571/2.1=44, 9410=31...(9) Peak 10295 from aliabs.peaks (7.17, 0.60, 23.67 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.84: QE TYR 115 + QD1 LEU 132 OK 81 96 - 84 - 9570/2.1=44, 2.2/4729=21...(21) QD TYR 27 + QD1 LEU 132 OK 18 68 - 26 - 2.2/4812=13, ~4791=5 Peak 10296 from aliabs.peaks (0.80, 1.26, 40.08 ppm; 5.08 A): 3 out of 6 assignments used, quality = 0.98: QG1 VAL 80 + HB2 LEU 132 OK 83 85 - 97 - ~8756=26, 2.1/8754=24...(26) QD1 LEU 79 + HB2 LEU 132 OK 78 100 - 78 - ~8738=25, ~8738=23...(18) QD2 LEU 72 + HB2 LEU 132 OK 57 96 - 60 - 9947/3.2=21, 9595/3.2=8...(16) QD2 LEU 95 - HB2 LEU 132 OK 33 100 - 33 - 8741/3.2=7, ~10423=4...(13) QG2 THR 74 - HB2 LEU 132 OK 32 100 - 32 - ~9582=8, ~11037=7...(7) QD2 LEU 126 - HB2 LEU 132 OK 11 85 - 12 - 9621/3.8=4, 9547/3.6=2...(4) Peak 10297 from aliabs.peaks (0.78, 0.60, 23.67 ppm; 2.92 A): 4 out of 4 assignments used, quality = 0.95: QD1 ILE 136 + QD1 LEU 132 OK 79 98 - 81 - 9686/2.1=24, 9685=19...(30) QG2 VAL 73 + QD1 LEU 132 OK 43 92 - 47 - 10420=10, ~9598=8...(12) QD2 LEU 72 + QD1 LEU 132 OK 35 85 - 41 - 9947=14, 2.1/10420=6...(11) QD1 LEU 72 + QD1 LEU 132 OK 33 81 - 41 - 2.1/9947=12, 10420=9...(10) Peak 10298 from aliabs.peaks (1.53, 0.60, 23.67 ppm; 3.41 A): 4 out of 8 assignments used, quality = 0.96: QB ALA 135 + QD1 LEU 132 OK 76 100 - 77 - 9628=29, 10318/2.1=17...(21) HG3 LYS 76 + QD1 LEU 132 OK 45 100 - 45 - 10092/2.1=16, ~8655=13...(9) HB2 GLU 122 + QD1 LEU 132 OK 44 96 - 46 - 11037/2.1=12, ~11034=6...(16) HB3 LEU 79 + QD1 LEU 132 OK 42 68 - 63 - ~8738=10, ~8738=10...(20) HD2 LYS 76 - QD1 LEU 132 OK 26 89 - 30 - ~10092=9, 10421=4...(8) HG2 LYS 93 - QD1 LEU 132 OK 18 98 - 18 - 10092/2.1=5, 10421=3...(4) HB2 LEU 29 - QD1 LEU 132 OK 14 100 - 14 - 3.2/9600=2, 10421=2...(4) HG3 LYS 85 - QD1 LEU 132 lone 8 96 - 8 - 10421=1 Peak 10299 from aliabs.peaks (1.67, 0.60, 23.67 ppm; 3.99 A): 2 out of 14 assignments used, quality = 0.98: HG13 ILE 136 + QD1 LEU 132 OK 95 100 - 95 - ~9686=24, ~9686=19...(40) HB VAL 71 + QD1 LEU 132 OK 57 99 - 58 - 2090=9, 2.1/2096=7...(17) HB2 MET 68 - QD1 LEU 132 OK 35 100 - 35 - 2.9/8434=5, 1.8/10300=5...(8) HB2 PRO 57 - QD1 LEU 132 OK 34 77 - 45 - 2.3/10423=11...(12) HG LEU 97 - QD1 LEU 132 OK 27 68 - 40 - 2.1/9600=5, 3.0/4512=5...(20) HB2 LEU 95 - QD1 LEU 132 OK 24 99 - 24 - 3.0/10423=4, ~8741=3...(8) HD3 LYS 93 - QD1 LEU 132 OK 22 98 - 22 - 10422=4, ~10092=4...(4) HG2 ARG 124 - QD1 LEU 132 OK 14 62 - 23 - 3.8/9592=7, 4.9/10413=5...(5) HG2 ARG 89 - QD1 LEU 132 OK 13 99 - 13 - 2.8/4513=1 HB2 ARG 145 - QD1 LEU 132 lone 9 100 - 9 - 3.4/9581=2, 3.4/9581=2 HG2 ARG 140 - QD1 LEU 132 poor 8 62 - 12 - HD2 LYS 48 - QD1 LEU 132 lone 6 99 - 6 - HD3 LYS 48 - QD1 LEU 132 lone 6 100 - 6 - HG3 ARG 141 - QD1 LEU 132 lone 4 72 - 6 - 2.8/10300=1 Peak 10300 from aliabs.peaks (1.82, 0.60, 23.67 ppm; 4.14 A): 5 out of 8 assignments used, quality = 0.94: HB VAL 80 + QD1 LEU 132 OK 77 89 - 86 - 2.1/9600=24, ~8756=24...(17) HB3 LEU 72 + QD1 LEU 132 OK 36 81 - 44 - 3.2/9947=15, 3.1/10420=8...(10) HB3 MET 68 + QD1 LEU 132 OK 31 100 - 31 - 2.9/8434=6, 3.0/8438=5...(10) HB2 ARG 124 + QD1 LEU 132 OK 30 92 - 33 - 3.0/9592=8, 3.9/10413=6...(8) HB2 LYS 24 + QD1 LEU 132 OK 15 99 - 15 - 11350/4.1=3, ~10979=2 HB2 ARG 141 - QD1 LEU 132 lone 8 99 - 8 - 2427/8755=1 HD3 LYS 36 - QD1 LEU 132 lone 7 100 - 7 - 11490/4812=2 HB2 MET 11 - QD1 LEU 132 lone 7 100 - 7 - 4.0/10413=1 Peak 10301 from aliabs.peaks (2.19, 0.41, 25.33 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.96: HB2 MET 113 + QD2 LEU 132 OK 84 100 - 84 - 4.2/9330=27, 3.0/9328=22...(15) HB3 PRO 57 + QD2 LEU 132 OK 50 100 - 50 - 10589/9570=9, ~10423=9...(17) HB3 LYS 86 + QD2 LEU 132 OK 49 99 - 49 - 2696/2.1=4, 1.8/4505=3...(32) HG2 PRO 129 - QD2 LEU 132 OK 35 68 - 52 - 3.8/9591=22...(7) HB2 MET 46 - QD2 LEU 132 OK 21 99 - 21 - 10711/8738=6...(8) HG2 GLU 75 - QD2 LEU 132 OK 17 72 - 23 - 3.9/10293=2, ~8638=2...(9) HB2 GLN 25 - QD2 LEU 132 lone 6 72 - 8 - 4370/10270=2...(3) Peak 10302 from aliabs.peaks (0.77, 1.38, 26.96 ppm; 3.77 A): 3 out of 5 assignments used, quality = 0.98: QD1 ILE 136 + HG LEU 132 OK 91 98 - 93 - 9686/2.1=36, 9685/2.1=21...(39) QG2 VAL 73 + HG LEU 132 OK 59 100 - 59 - ~9598=15, ~8583=14...(12) QD1 LEU 72 + HG LEU 132 OK 47 100 - 47 - ~9947=12, 10420/2.1=8...(13) QD1 LEU 108 - HG LEU 132 OK 24 96 - 25 - ~10174=13, 9595/2.1=4, ~9595=3 QD2 LEU 108 - HG LEU 132 OK 23 77 - 30 - 10174/2.1=14, 9595/2.1=5...(7) Peak 10303 from aliabs.peaks (1.88, 2.42, 33.16 ppm; 3.50 A): 8 out of 32 assignments used, quality = 0.90: HB3 LYS 48 + HG3 GLN 47 OK 37 89 - 41 - 11664/3.0=7, 3.8/6438=7...(13) HB3 LYS 48 + HG2 GLN 47 OK 37 89 - 41 - 11664/3.0=7, 3.8/6438=7...(13) HB2 LYS 48 + HG2 GLN 47 OK 30 73 - 41 - 3.8/6439=7, 3.0/9821=7...(13) HB2 LYS 48 + HG3 GLN 47 OK 30 73 - 41 - 3.8/6439=7, 3.0/9821=7...(13) HB3 LYS 48 + HG3 GLN 133 OK 16 99 - 16 - 3.0/9821=3, 3.8/6438=2...(7) HB3 LYS 48 + HG2 GLN 133 OK 16 99 - 16 - 3.0/9821=3, 3.8/6438=2...(7) HB2 LYS 48 + HG3 GLN 133 OK 14 85 - 16 - 3.0/9821=3, 3.8/6438=2...(7) HB2 LYS 48 + HG2 GLN 133 OK 14 85 - 16 - 3.0/9821=3, 3.8/6438=2...(7) HB2 LYS 36 - HG3 GLN 47 lone 6 89 - 6 - 11664/3.0=1, 10970/3.6=1 HB2 LYS 36 - HG2 GLN 47 lone 6 89 - 6 - 11664/3.0=1, 10970/3.6=1 HB3 ARG 140 - HG3 GLN 47 lone 5 61 - 8 - 10473/3.6=2, 10474/3.0=1...(4) HB3 ARG 140 - HG2 GLN 47 lone 5 61 - 8 - 10473/3.6=2, 10474/3.0=1...(4) HB3 ARG 141 - HG2 GLN 47 lone 4 77 - 5 - HB3 ARG 141 - HG3 GLN 47 lone 4 77 - 5 - HB2 ARG 144 - HG3 GLN 47 lone 3 83 - 4 - HB2 ARG 144 - HG2 GLN 47 lone 3 83 - 4 - HB3 LYS 85 - HG3 GLN 133 lone 3 72 - 4 - ~10042=2, ~10043=1 HB3 LYS 85 - HG2 GLN 133 lone 3 72 - 4 - ~10042=2, ~10043=1 HB2 ARG 144 - HG3 GLN 133 lone 3 94 - 3 - HB2 LYS 36 - HG3 GLN 133 lone 2 99 - 2 - HB2 ARG 144 - HG2 GLN 133 lone 2 94 - 3 - HB2 LYS 36 - HG2 GLN 133 lone 2 99 - 2 - HB3 ARG 140 - HG3 GLN 133 lone 2 72 - 3 - HB3 ARG 140 - HG2 GLN 133 lone 2 72 - 3 - HB3 LYS 93 - HG3 GLN 47 lone 2 65 - 3 - HB3 LYS 93 - HG2 GLN 47 lone 2 65 - 3 - HB3 ARG 141 - HG3 GLN 133 lone 1 89 - 2 - HB3 ARG 141 - HG2 GLN 133 lone 1 88 - 2 - HB3 LYS 85 - HG3 GLN 47 lone 1 61 - 2 - HB3 LYS 85 - HG2 GLN 47 lone 1 61 - 2 - HB3 LYS 93 - HG3 GLN 133 lone 1 77 - 1 - HB3 LYS 93 - HG2 GLN 133 lone 1 77 - 1 - Peak 10304 from aliabs.peaks (1.62, 2.42, 33.16 ppm; 4.14 A): 10 out of 44 assignments used, quality = 0.90: HG3 LYS 48 + HG3 GLN 47 OK 39 90 - 44 - 1183/4.9=13, 3.8/9821=8...(11) HG3 LYS 48 + HG2 GLN 47 OK 39 90 - 44 - 1183/4.9=13, 3.8/9821=8...(11) HG3 LYS 48 + HG3 GLN 133 OK 19 100 - 20 - 3.8/9821=3, 1.8/9822=3...(8) HG3 LYS 48 + HG2 GLN 133 OK 19 99 - 19 - 3.8/9821=3, 1.8/9822=3...(8) HG3 ARG 49 + HG3 GLN 133 OK 14 100 - 14 - 3.0/10312=5, ~10312=3...(4) HG3 ARG 49 + HG3 GLN 47 OK 14 90 - 16 - 8183/4.9=5, 3.0/10312=4...(4) HG3 ARG 49 + HG2 GLN 47 OK 14 90 - 16 - 8183/4.9=5, 3.0/10312=4...(4) HG3 ARG 49 + HG2 GLN 133 OK 14 99 - 14 - 3.0/10312=4, ~10312=3...(4) HG LEU 108 + HG3 GLN 47 OK 10 73 - 14 - 3493/4.9=4, 2.1/9944=1...(7) HG LEU 108 + HG2 GLN 47 OK 10 73 - 14 - 3493/4.9=4, 2.1/9944=1...(7) HB3 LEU 64 - HG3 GLN 133 lone 8 81 - 9 - ~8373=2, ~8373=2, 3.0/9602=1 HB3 LEU 64 - HG2 GLN 133 lone 7 81 - 9 - ~8373=2, ~8373=2, 3.0/9602=1 HG LEU 108 - HG3 GLN 133 lone 7 85 - 8 - 2.1/10306=1 HG LEU 108 - HG2 GLN 133 lone 7 85 - 8 - 2.1/10306=1 HG3 LYS 34 - HG3 GLN 47 lone 6 69 - 9 - 8183/4.9=2 HG3 LYS 34 - HG2 GLN 47 lone 6 69 - 9 - 8183/4.9=2 HG3 ARG 144 - HG2 GLN 47 lone 5 92 - 6 - HG3 ARG 144 - HG3 GLN 47 lone 5 92 - 6 - HB2 LEU 87 - HG3 GLN 133 lone 5 100 - 5 - ~8892=2, ~8892=1 HB2 LEU 87 - HG2 GLN 133 lone 5 99 - 5 - ~8892=2, ~8892=1 HG2 ARG 141 - HG3 GLN 47 lone 4 69 - 6 - HG2 ARG 141 - HG2 GLN 47 lone 4 69 - 6 - HG3 ARG 144 - HG3 GLN 133 lone 4 100 - 4 - HG3 LYS 34 - HG3 GLN 133 lone 4 81 - 5 - HG3 LYS 34 - HG2 GLN 133 lone 4 81 - 5 - HB2 LEU 97 - HG3 GLN 47 lone 4 65 - 6 - ~9127=1 HB2 LEU 97 - HG2 GLN 47 lone 4 65 - 6 - ~9127=1 HG3 ARG 144 - HG2 GLN 133 lone 4 100 - 4 - HB2 LEU 87 - HG3 GLN 47 lone 4 90 - 4 - 8183/4.9=1 HB2 LEU 87 - HG2 GLN 47 lone 4 90 - 4 - 8183/4.9=1 HB3 LEU 64 - HG2 GLN 47 lone 4 69 - 5 - HB3 LEU 64 - HG3 GLN 47 lone 4 69 - 5 - HB2 LEU 97 - HG3 GLN 133 lone 3 77 - 3 - HB2 LEU 97 - HG2 GLN 133 lone 3 77 - 3 - HD2 LYS 24 - HG3 GLN 47 lone 2 69 - 3 - HD2 LYS 24 - HG2 GLN 47 lone 2 69 - 3 - HG2 ARG 144 - HG3 GLN 47 lone 2 52 - 4 - 6446/4.9=1 HG2 ARG 144 - HG2 GLN 47 lone 2 52 - 4 - 6446/4.9=1 HG2 ARG 141 - HG3 GLN 133 lone 2 81 - 2 - HG2 ARG 141 - HG2 GLN 133 lone 2 81 - 2 - HG2 ARG 144 - HG3 GLN 133 lone 2 62 - 2 - HG2 ARG 144 - HG2 GLN 133 lone 2 62 - 2 - HD2 LYS 24 - HG3 GLN 133 lone 1 81 - 2 - HD2 LYS 24 - HG2 GLN 133 lone 1 81 - 2 - Peak 10305 from aliabs.peaks (1.47, 2.42, 33.16 ppm; 3.96 A): 4 out of 24 assignments used, quality = 0.92: QB ALA 134 + HG3 GLN 133 OK 52 72 - 72 - 9660/4.5=12, 2.9/4566=10...(20) QB ALA 134 + HG2 GLN 133 OK 52 72 - 72 - 9660/4.5=12, 2.9/4566=10...(20) HB3 LEU 29 + HG3 GLN 133 OK 40 72 - 55 - 3.2/8066=8, 2.9/10535=5...(22) HB3 LEU 29 + HG2 GLN 133 OK 39 72 - 55 - 3.2/8066=8, 2.9/10535=5...(22) QB ALA 134 - HG2 GLN 47 OK 14 61 - 23 - 2.9/4557=4, 2.1/9648=3...(10) QB ALA 134 - HG3 GLN 47 OK 14 61 - 23 - 2.9/4557=4, 2.1/9648=3...(10) HB3 LEU 66 - HG3 GLN 133 OK 13 99 - 13 - 1891/4.0=3, 3.1/10309=2 HB3 LEU 66 - HG2 GLN 133 OK 13 99 - 13 - 1891/4.0=3, 3.1/10309=2 HB2 LYS 76 - HG3 GLN 133 lone 9 98 - 9 - 3.5/10312=3, ~11554=2 HB2 LYS 76 - HG2 GLN 133 lone 9 98 - 9 - 3.5/10312=3, ~11554=2 HB2 LYS 76 - HG2 GLN 47 lone 5 87 - 5 - 6445/4.9=1, 3.5/10312=1 HB2 LYS 76 - HG3 GLN 47 lone 5 87 - 5 - 6445/4.9=1, 3.5/10312=1 HB3 LEU 29 - HG3 GLN 47 lone 4 61 - 7 - 3.2/8066=1 HB3 LEU 29 - HG2 GLN 47 lone 4 61 - 7 - 3.2/8066=1 HB3 LEU 66 - HG2 GLN 47 lone 4 89 - 4 - HB3 LEU 66 - HG3 GLN 47 lone 4 89 - 4 - HG3 LYS 86 - HG3 GLN 133 lone 2 94 - 2 - HG3 LYS 86 - HG2 GLN 133 lone 2 94 - 2 - HG3 LYS 86 - HG3 GLN 47 lone 1 83 - 1 - HG3 LYS 86 - HG2 GLN 47 lone 1 83 - 1 - HG LEU 126 - HG3 GLN 133 lone 1 92 - 1 - HG LEU 126 - HG2 GLN 133 lone 1 91 - 1 - HG LEU 126 - HG2 GLN 47 lone 1 80 - 1 - HG LEU 126 - HG3 GLN 47 lone 1 80 - 1 - Peak 10306 from aliabs.peaks (0.77, 2.42, 33.16 ppm; 4.22 A): 4 out of 20 assignments used, quality = 0.93: QD1 ILE 136 + HG2 GLN 133 OK 60 91 - 66 - 10453/3.5=21...(13) QD1 ILE 136 + HG3 GLN 133 OK 60 92 - 65 - 10453/3.5=21...(13) QD1 LEU 72 + HG2 GLN 133 OK 32 100 - 33 - 9911=9, 9911/1.8=9...(6) QD1 LEU 72 + HG3 GLN 133 OK 32 100 - 32 - 9911=10, 9911/1.8=9...(6) QG2 VAL 73 - HG2 GLN 133 OK 19 98 - 20 - 8554/3.5=7, 9618/4.0=4...(4) QG2 VAL 73 - HG3 GLN 133 OK 19 98 - 20 - 8554/3.5=7, 9618/4.0=4...(4) QD1 LEU 108 - HG3 GLN 47 OK 16 90 - 18 - 3509/4.9=7, 9944/1.8=2...(6) QD1 LEU 108 - HG2 GLN 47 OK 16 90 - 18 - 3509/4.9=7, 9944/1.8=2...(6) QD1 ILE 136 - HG3 GLN 47 OK 14 80 - 18 - 9671=2, 9671/1.8=2...(5) QD1 ILE 136 - HG2 GLN 47 OK 14 80 - 18 - 9671=2, 9671/1.8=2...(5) QD1 LEU 72 - HG2 GLN 47 OK 14 91 - 15 - 9911=4, 9911/1.8=3...(5) QD1 LEU 72 - HG3 GLN 47 OK 14 91 - 15 - 9911=4, 9911/1.8=3...(5) QD2 LEU 108 - HG3 GLN 47 OK 12 77 - 16 - 3501/4.9=6, 4.8/1127=2...(6) QD2 LEU 108 - HG2 GLN 47 OK 12 77 - 16 - 3501/4.9=6, 4.8/1127=2...(6) QD1 LEU 108 - HG2 GLN 133 OK 12 99 - 12 - 9618/4.0=3, 9944=1, 9944/1.8=1 QD1 LEU 108 - HG3 GLN 133 OK 12 100 - 12 - 9618/4.0=3, 9944/1.8=1, 9944=1 QD2 LEU 108 - HG3 GLN 133 OK 11 89 - 12 - 9618/4.0=3, 10174/10309=1 QD2 LEU 108 - HG2 GLN 133 OK 11 88 - 12 - 9618/4.0=3, 10174/10309=1 QG2 VAL 73 - HG3 GLN 47 lone 6 87 - 6 - 2179/4.9=2 QG2 VAL 73 - HG2 GLN 47 lone 6 87 - 6 - 2179/4.9=2 Peak 10307 from aliabs.peaks (0.89, 2.42, 33.16 ppm; 4.27 A): 2 out of 24 assignments used, quality = 0.92: QG2 ILE 136 + HG2 GLN 133 OK 72 100 - 73 - 9607/3.5=22, 9665/3.5=17...(18) QG2 ILE 136 + HG3 GLN 133 OK 72 100 - 72 - 9607/3.5=22, 9665/3.5=17...(17) QD1 ILE 101 - HG2 GLN 47 OK 20 91 - 22 - ~10182=10, ~10474=3...(6) QD1 ILE 101 - HG3 GLN 47 OK 20 91 - 22 - ~10182=10, ~10474=3...(6) QG2 ILE 136 - HG3 GLN 47 OK 20 91 - 21 - 3.0/9671=2, 2.1/9674=2...(11) QG2 ILE 136 - HG2 GLN 47 OK 20 91 - 21 - 3.0/9671=2, 2.1/9674=2...(11) QG2 ILE 101 - HG3 GLN 47 OK 19 92 - 21 - ~10182=8, ~10474=4...(5) QG2 ILE 101 - HG2 GLN 47 OK 19 92 - 21 - ~10182=8, ~10474=4...(5) QG2 ILE 101 - HG2 GLN 133 OK 17 100 - 17 - 9169/4.0=5, 9607/3.5=3 QG2 ILE 101 - HG3 GLN 133 OK 17 100 - 17 - 9169/4.0=5, 9607/3.5=3 QD1 ILE 101 - HG2 GLN 133 OK 16 100 - 16 - 9617/4.0=4, 9607/3.5=3...(5) QD1 ILE 101 - HG3 GLN 133 OK 16 100 - 16 - 9617/4.0=4, 9607/3.5=3...(5) QG2 VAL 80 - HG3 GLN 133 OK 14 68 - 21 - 9957/4.5=10, 9617/4.0=5 QG2 VAL 80 - HG2 GLN 133 OK 14 67 - 21 - 9957/4.5=10, 9617/4.0=5 QD1 LEU 97 - HG2 GLN 133 lone 9 99 - 9 - 9617/4.0=2, 9607/3.5=1 QD1 LEU 97 - HG3 GLN 133 lone 9 100 - 9 - 9617/4.0=2, 9607/3.5=1 QD1 LEU 97 - HG2 GLN 47 lone 7 90 - 8 - ~9127=2, ~9127=1 QD1 LEU 97 - HG3 GLN 47 lone 7 90 - 8 - ~9127=2, ~9127=1 QG2 ILE 56 - HG2 GLN 133 lone 6 100 - 6 - 9617/4.0=2 QG2 ILE 56 - HG3 GLN 133 lone 6 100 - 6 - 9617/4.0=2 QG2 ILE 56 - HG2 GLN 47 lone 6 91 - 6 - 11200/3.5=2, 10604/4.9=2 QG2 ILE 56 - HG3 GLN 47 lone 6 91 - 6 - 11200/3.5=2, 10604/4.9=2 QG2 VAL 80 - HG3 GLN 47 lone 2 56 - 4 - QG2 VAL 80 - HG2 GLN 47 lone 2 56 - 4 - Peak 10308 from aliabs.peaks (1.48, 2.14, 27.86 ppm; 4.58 A): 4 out of 10 assignments used, quality = 1.00: QB ALA 134 + HB3 GLN 133 OK 93 100 - 93 - 9660/4.0=32, 4575/4.5=28...(22) QB ALA 134 + HB2 GLN 133 OK 93 100 - 93 - 9660/4.0=32, 4575/4.5=28...(22) HB3 LEU 29 + HB2 GLN 133 OK 81 100 - 82 - 9614/3.0=12, 359/1.8=10...(34) HB3 LEU 29 + HB3 GLN 133 OK 81 100 - 81 - 9614/3.0=12, ~9616=9...(34) HG13 ILE 101 - HB3 GLN 133 OK 31 89 - 36 - 9614/3.0=7, 7723/4.5=6...(10) HG13 ILE 101 - HB2 GLN 133 OK 31 88 - 35 - 9614/3.0=7, 7723/4.5=6...(10) HB2 LYS 76 - HB3 GLN 133 OK 23 92 - 25 - ~9615=6, 3.0/11554=4...(7) HB2 LYS 76 - HB2 GLN 133 OK 22 91 - 24 - ~9615=6, 3.0/11554=4...(7) HD3 LYS 114 - HB3 GLN 133 lone 8 92 - 9 - 9614/3.0=2, 7723/4.5=2 HD3 LYS 114 - HB2 GLN 133 lone 8 91 - 9 - 9614/3.0=2, 7723/4.5=2 Peak 10309 from aliabs.peaks (0.61, 2.42, 33.16 ppm; 5.16 A): 8 out of 12 assignments used, quality = 0.91: QD1 LEU 132 + HG3 GLN 133 OK 44 98 - 45 - 9620/4.0=17, 4.6/4558=13...(8) QD1 LEU 132 + HG2 GLN 133 OK 44 98 - 45 - 9620/4.0=17, 4.6/4558=13...(8) QD1 LEU 66 + HG3 GLN 133 OK 26 98 - 27 - 1907/4.0=9, 7683/4.5=5...(7) QD1 LEU 66 + HG2 GLN 133 OK 26 98 - 26 - 1907/4.0=9, 7683/4.5=5...(7) QG1 VAL 71 + HG3 GLN 133 OK 15 72 - 21 - 9620/4.0=8, 7683/4.5=6 QG1 VAL 71 + HG2 GLN 133 OK 15 72 - 21 - 9620/4.0=8, 7683/4.5=6 QD1 LEU 132 + HG3 GLN 47 OK 12 87 - 14 - 4.6/4549=4, 2.1/10310=1 QD1 LEU 132 + HG2 GLN 47 OK 12 87 - 14 - 4.6/4549=4, 2.1/10310=1 QD1 LEU 66 - HG2 GLN 47 lone 7 87 - 8 - QD1 LEU 66 - HG3 GLN 47 lone 7 87 - 8 - QG1 VAL 71 - HG2 GLN 47 lone 4 61 - 7 - QG1 VAL 71 - HG3 GLN 47 lone 4 61 - 7 - Peak 10310 from aliabs.peaks (0.40, 2.42, 33.16 ppm; 6.19 A): 5 out of 8 assignments used, quality = 0.96: QD2 LEU 132 + HG3 GLN 133 OK 51 85 - 60 - 9619/4.0=26, 7682/4.5=24...(6) QD2 LEU 132 + HG2 GLN 133 OK 51 85 - 60 - 9619/4.0=26, 7682/4.5=24...(6) HG3 LYS 123 + HG3 GLN 133 OK 45 94 - 48 - 9619/4.0=29, 7682/4.5=15...(7) HG3 LYS 123 + HG2 GLN 133 OK 45 94 - 48 - 9619/4.0=29, 7682/4.5=15...(7) HG3 LYS 123 + HG3 GLN 47 OK 42 83 - 50 - 4148/3.0=9, ~4137=8...(14) HG3 LYS 123 - HG2 GLN 47 OK 42 83 - 50 - 4148/3.0=9, ~4137=8...(14) QD2 LEU 132 - HG2 GLN 47 OK 13 73 - 18 - 4.7/4549=5, 2.1/10309=3...(5) QD2 LEU 132 - HG3 GLN 47 OK 13 73 - 18 - 4.7/4549=5, 2.1/10309=3...(5) Peak 10311 from aliabs.peaks (1.38, 3.84, 58.15 ppm; 4.66 A): 6 out of 7 assignments used, quality = 0.94: HG LEU 132 + HA GLN 133 OK 78 100 - 78 - 2.1/9619=22, 2.1/9620=20...(13) HB3 LEU 39 + HA GLN 133 OK 45 100 - 45 - 1.8/9616=13, 3.0/8134=8...(13) HB2 LEU 69 + HA GLN 133 OK 32 99 - 33 - 7681/2.8=5, 2010=3...(12) HB2 ARG 109 + HA GLN 133 OK 10 85 - 12 - 3.6/11127=2, 7681/2.8=2 HB VAL 82 + HA GLN 133 OK 10 77 - 13 - 4472/4.9=3, 9949/9617=2 HB3 ARG 49 + HA GLN 133 OK 10 62 - 16 - 4472/4.9=2, ~7681=2...(4) HG2 LYS 86 - HA GLN 133 poor 8 81 - 10 - 7681/2.8=2, 4472/4.9=2 Peak 10312 from aliabs.peaks (1.36, 2.42, 33.16 ppm; 4.75 A): 0 out of 8 assignments used, low quality = 0.41: HB3 ARG 49 - HG3 GLN 133 OK 14 98 - 15 - 4.7/8190=3, 3.0/10427=3...(5) HB3 ARG 49 - HG2 GLN 133 OK 14 98 - 14 - 4.7/8190=3, 3.0/10427=3...(5) HB3 ARG 49 - HG2 GLN 47 OK 11 87 - 12 - 4.7/8190=3, 3.0/10427=2...(4) HB3 ARG 49 - HG3 GLN 47 OK 11 87 - 12 - 4.7/8190=3, 3.0/10427=2...(4) HD3 LYS 76 - HG3 GLN 133 lone 10 100 - 10 - ~11554=2, 3.5/10428=2 HD3 LYS 76 - HG2 GLN 133 lone 10 100 - 10 - ~11554=2, 3.5/10428=2 HD3 LYS 76 - HG2 GLN 47 lone 4 92 - 4 - HD3 LYS 76 - HG3 GLN 47 lone 4 92 - 4 - Peak 10314 from aliabs.peaks (2.96, 2.42, 33.16 ppm; 5.02 A): 10 out of 40 assignments used, quality = 0.90: HE2 LYS 48 + HG3 GLN 47 OK 26 90 - 28 - 6.0/9821=7, 3.6/9822=6...(6) HE2 LYS 48 + HG2 GLN 47 OK 26 90 - 28 - 6.0/9821=7, 3.6/9822=6...(6) HE3 LYS 48 + HG2 GLN 47 OK 23 83 - 28 - 6.0/9821=7, 3.6/9822=6...(6) HE3 LYS 48 + HG3 GLN 47 OK 23 83 - 28 - 6.0/9821=7, 3.6/9822=6...(6) HB3 PHE 67 + HG3 GLN 133 OK 19 100 - 19 - 3.0/9602=4, ~9602=3...(5) HB3 PHE 67 + HG2 GLN 133 OK 19 100 - 19 - 3.0/9602=5, ~9602=3...(5) HB2 TYR 115 + HG3 GLN 133 OK 18 100 - 18 - 2.9/10212=5, ~10277=4...(5) HB2 TYR 115 + HG2 GLN 133 OK 18 99 - 18 - 2.9/10212=5, ~10277=4...(5) HE2 LYS 48 + HG3 GLN 133 OK 15 100 - 15 - 3.6/9822=3, 6.0/9821=3...(6) HE2 LYS 48 + HG2 GLN 133 OK 15 99 - 15 - 3.6/9822=3, 6.0/9821=3...(6) HE3 LYS 48 - HG3 GLN 133 OK 14 94 - 15 - 3.6/9822=3, 6.0/9821=3...(6) HE3 LYS 48 - HG2 GLN 133 OK 14 94 - 15 - 3.6/9822=3, 6.0/9821=3...(6) HB3 PHE 67 - HG3 GLN 47 OK 13 91 - 14 - 3.0/9602=4, ~9602=3...(4) HB3 PHE 67 - HG2 GLN 47 OK 13 91 - 14 - 3.0/9602=4, ~9602=3...(4) HE2 LYS 85 - HG3 GLN 133 OK 11 98 - 11 - ~10042=3, ~10043=2...(4) HE2 LYS 85 - HG2 GLN 133 OK 11 98 - 11 - ~10042=3, ~10043=2...(4) HE3 LYS 85 - HG3 GLN 133 poor 9 85 - 11 - ~10042=3, ~10043=2...(4) HE3 LYS 85 - HG2 GLN 133 poor 9 85 - 11 - ~10042=3, ~10043=2...(4) HB2 PHE 106 - HG2 GLN 133 lone 9 100 - 9 - 4.0/4566=2, 3.0/10439=1 HB2 PHE 106 - HG3 GLN 133 lone 9 100 - 9 - 4.0/4566=2, 3.0/10439=1 HB3 TYR 27 - HG3 GLN 47 poor 8 52 - 16 - ~1111=4, ~1101=4...(6) HB3 TYR 27 - HG2 GLN 47 poor 8 52 - 16 - ~1111=4, ~1101=4...(6) HB2 PHE 106 - HG2 GLN 47 lone 6 91 - 7 - HB2 PHE 106 - HG3 GLN 47 lone 6 91 - 7 - HB2 TYR 115 - HG3 GLN 47 lone 5 90 - 5 - HB2 TYR 115 - HG2 GLN 47 lone 5 90 - 5 - HE2 LYS 93 - HG2 GLN 47 lone 4 89 - 4 - HE2 LYS 93 - HG3 GLN 47 lone 4 89 - 4 - HE2 LYS 93 - HG2 GLN 133 lone 3 99 - 4 - HE2 LYS 93 - HG3 GLN 133 lone 3 99 - 3 - HE2 LYS 85 - HG3 GLN 47 lone 3 87 - 3 - HE2 LYS 85 - HG2 GLN 47 lone 3 87 - 3 - HB3 TYR 27 - HG3 GLN 133 lone 2 62 - 4 - HB3 TYR 27 - HG2 GLN 133 lone 2 62 - 4 - HE3 LYS 85 - HG2 GLN 47 lone 2 73 - 3 - HE3 LYS 85 - HG3 GLN 47 lone 2 73 - 3 - HE3 LYS 93 - HG3 GLN 47 lone 2 56 - 4 - HE3 LYS 93 - HG2 GLN 47 lone 2 56 - 4 - HE3 LYS 93 - HG2 GLN 133 lone 2 67 - 3 - HE3 LYS 93 - HG3 GLN 133 lone 2 68 - 3 - Peak 10315 from aliabs.peaks (3.25, 2.42, 33.16 ppm; 5.19 A): 0 out of 12 assignments used, low quality = 0.43: HD2 PRO 52 - HG3 GLN 47 OK 20 56 - 36 - 10471/3.6=22, ~10475=7...(4) HD2 PRO 52 - HG2 GLN 47 OK 20 56 - 36 - 10471/3.6=22, ~10475=7...(4) HD2 PRO 52 - HG3 GLN 133 OK 11 68 - 16 - 4.8/8217=3, 10471/1094=2...(9) HD2 PRO 52 - HG2 GLN 133 poor 9 67 - 13 - 4.8/8217=3, ~10455=2...(5) HD2 ARG 89 - HG3 GLN 47 lone 8 89 - 9 - 10471/3.6=7 HD2 ARG 89 - HG2 GLN 47 lone 8 89 - 9 - 10471/3.6=7 HB2 TYR 112 - HG2 GLN 47 lone 6 92 - 7 - 10471/3.6=5 HB2 TYR 112 - HG3 GLN 47 lone 6 92 - 7 - 10471/3.6=5 HD2 ARG 89 - HG3 GLN 133 lone 4 99 - 4 - HD2 ARG 89 - HG2 GLN 133 lone 4 99 - 4 - HB2 TYR 112 - HG3 GLN 133 lone 4 100 - 4 - HB2 TYR 112 - HG2 GLN 133 lone 3 100 - 3 - Peak 10316 from aliabs.peaks (3.95, 2.42, 33.16 ppm; 3.90 A): 5 out of 36 assignments used, quality = 0.93: HA LYS 48 + HG2 GLN 47 OK 54 77 - 70 - ~6437=10, 9821=10...(17) HA LYS 48 + HG3 GLN 47 OK 54 77 - 70 - ~6437=10, 9821=10...(17) HA LEU 29 + HG3 GLN 133 OK 36 89 - 41 - 4.0/8066=6, 10847/1.8=6...(13) HA LEU 29 + HG2 GLN 133 OK 36 88 - 41 - 4.0/8066=6, 10847/1.8=5...(13) HA LYS 48 + HG3 GLN 133 OK 24 89 - 27 - 9821=4, 3.0/6439=4...(12) HA LYS 48 - HG2 GLN 133 OK 23 88 - 26 - 9821=4, 3.0/6439=4...(12) HB3 SER 103 - HG2 GLN 47 OK 15 80 - 19 - 1.8/8177=2, ~1099=2...(10) HB3 SER 103 - HG3 GLN 47 OK 15 80 - 19 - 1.8/8177=2, ~1099=2...(10) HA PHE 106 - HG3 GLN 133 lone 9 100 - 9 - 3.0/4566=2, ~4566=1, ~4557=1 HA PHE 106 - HG2 GLN 133 lone 9 100 - 9 - 3.0/4566=2, ~4566=1, ~4557=1 HA PHE 106 - HG3 GLN 47 lone 6 92 - 6 - 6442/4.9=3 HA PHE 106 - HG2 GLN 47 lone 6 92 - 6 - 6442/4.9=3 HB3 SER 103 - HG3 GLN 133 lone 4 92 - 5 - HB3 SER 103 - HG2 GLN 133 lone 4 91 - 5 - HA ALA 60 - HG2 GLN 47 lone 4 90 - 5 - ~8328=2 HA ALA 60 - HG3 GLN 47 lone 4 90 - 5 - ~8328=2 HA LEU 29 - HG2 GLN 47 lone 4 77 - 5 - HA LEU 29 - HG3 GLN 47 lone 4 77 - 5 - HA3 GLY 94 - HG3 GLN 133 lone 3 100 - 3 - 9056/9911=1 HA3 GLY 94 - HG2 GLN 133 lone 3 99 - 3 - 9056/9911=1 HA LYS 86 - HG3 GLN 133 lone 3 94 - 3 - HA LYS 86 - HG2 GLN 133 lone 3 94 - 3 - HA3 GLY 94 - HG2 GLN 47 lone 3 90 - 3 - 6442/4.9=1 HA3 GLY 94 - HG3 GLN 47 lone 3 90 - 3 - 6442/4.9=1 HA ALA 60 - HG3 GLN 133 lone 3 100 - 3 - HA ALA 60 - HG2 GLN 133 lone 3 99 - 3 - HD3 PRO 129 - HG3 GLN 133 lone 2 92 - 3 - 7622/10438=1 HD3 PRO 129 - HG2 GLN 133 lone 2 91 - 3 - 7622/10438=1 HA3 GLY 143 - HG3 GLN 47 lone 2 83 - 2 - HA3 GLY 143 - HG2 GLN 47 lone 2 83 - 2 - HA3 GLY 143 - HG3 GLN 133 lone 1 94 - 1 - HA3 GLY 143 - HG2 GLN 133 lone 1 94 - 1 - HA LYS 86 - HG2 GLN 47 lone 1 83 - 2 - HA LYS 86 - HG3 GLN 47 lone 1 83 - 2 - HD3 PRO 129 - HG2 GLN 47 lone 1 80 - 1 - HD3 PRO 129 - HG3 GLN 47 lone 1 80 - 1 - Peak 10317 from aliabs.peaks (0.69, 1.54, 18.21 ppm; 3.08 A): 3 out of 4 assignments used, quality = 0.75: QD1 ILE 83 + QB ALA 135 OK 52 94 - 55 - 10443=19, 3.1/10017=7...(18) QD2 LEU 66 + QB ALA 135 OK 33 100 - 33 - 2.1/9628=8, 10443=8...(8) QD2 LEU 39 + QB ALA 135 OK 21 92 - 23 - 2.1/9643=6, 10978=5...(5) HB3 LEU 116 - QB ALA 135 poor 8 57 - 15 - 3.1/10964=6, 10443=3 Peak 10318 from aliabs.peaks (0.40, 1.54, 18.21 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.84: QD2 LEU 132 + QB ALA 135 OK 75 92 - 81 - 2.1/9628=27, 3.2/9626=20...(19) HG3 LYS 123 + QB ALA 135 OK 35 89 - 40 - 4.8/4590=5, 4142=4...(19) Peak 10319 from aliabs.peaks (0.88, 1.54, 18.21 ppm; 2.58 A): 5 out of 5 assignments used, quality = 0.74: QG2 ILE 136 + QB ALA 135 OK 45 89 - 50 - 10444=16, 2.3/10964=12...(12) QG2 ILE 101 + QB ALA 135 OK 23 94 - 25 - 10444=8, 3.1/10444=2...(6) QD1 ILE 101 + QB ALA 135 OK 20 89 - 22 - 10444=6, 3.1/10444=3...(7) QD1 LEU 97 + QB ALA 135 OK 13 85 - 15 - 10444=6, 3.2/9626=2 QG2 ILE 56 + QB ALA 135 OK 11 98 - 12 - 10444=3, 3.1/9628=2 Peak 10320 from aliabs.peaks (2.47, 1.54, 18.21 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.48: HB3 GLU 131 + QB ALA 135 OK 40 100 - 40 - ~10391=16, ~7727=10...(6) HG3 GLU 131 + QB ALA 135 OK 13 68 - 20 - 9561/4.0=5, 2.9/9556=3...(5) HB2 ASP 65 - QB ALA 135 lone 6 92 - 7 - 8065/381=1, 8382/9627=1 Peak 10321 from aliabs.peaks (1.87, 1.48, 17.85 ppm; 4.00 A): 5 out of 9 assignments used, quality = 0.69: HB3 LYS 76 + QB ALA 134 OK 31 89 - 35 - 2.9/4574=8, 5.1/9641=4...(12) HB2 LYS 48 + QB ALA 134 OK 21 100 - 21 - 3.6/9637=4, 3.6/9637=3...(5) HB3 GLU 28 + QB ALA 134 OK 19 85 - 22 - 318/2.9=5, ~311=4...(7) HB3 LYS 48 + QB ALA 134 OK 19 94 - 20 - 3.6/9637=4, 3.6/9637=3...(6) HB3 LYS 85 + QB ALA 134 OK 13 100 - 12 - 4.8/10324=1, 4.8/10324=1 HG LEU 69 - QB ALA 134 poor 10 92 - 11 - ~9650=3, 3.0/9637=2, ~9933=2 HB3 LEU 126 - QB ALA 134 lone 9 94 - 10 - 3.0/4574=4, ~7711=1, 4283/4574=1 HB2 LYS 36 - QB ALA 134 lone 5 94 - 5 - 1.8/10322=1 HB2 ARG 144 - QB ALA 134 lone 1 99 - 1 - Peak 10322 from aliabs.peaks (2.09, 1.48, 17.85 ppm; 3.72 A): 4 out of 11 assignments used, quality = 0.74: HB2 GLU 131 + QB ALA 134 OK 61 100 - 61 - 3.0/4574=26, 4.0/9661=15...(7) HG3 PRO 33 + QB ALA 134 OK 16 100 - 16 - 9792=7, 2.3/9640=3, 4433/4574=1 HB3 GLU 142 + QB ALA 134 OK 12 89 - 14 - 3.0/9639=4, 4.0/9661=4...(5) HG2 PRO 33 + QB ALA 134 OK 11 77 - 14 - 1.8/9792=6, 2.3/9640=3 HB2 PRO 129 - QB ALA 134 lone 8 100 - 8 - 2.3/9639=2, 4433/4574=2 HB3 LYS 61 - QB ALA 134 lone 6 100 - 7 - ~10528=3, 4441/4574=2 HB3 LYS 36 - QB ALA 134 lone 4 68 - 5 - 1.8/10321=1 HG2 GLU 122 - QB ALA 134 lone 3 96 - 3 - 4082/4.0=1 HB2 LEU 26 - QB ALA 134 lone 3 96 - 3 - ~7713=1 HB3 GLN 25 - QB ALA 134 lone 2 72 - 3 - ~11460=1 HD2 ARG 49 - QB ALA 134 lone 1 98 - 1 - Peak 10323 from aliabs.peaks (2.69, 1.48, 17.85 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.76: HB2 ASP 137 + QB ALA 134 OK 68 100 - 68 - 4572/2.1=26, 9710=16...(8) HB2 PHE 43 + QB ALA 134 OK 26 92 - 28 - 4572/2.1=8, 1.8/9641=5...(10) HB3 TYR 115 - QB ALA 134 lone 8 99 - 8 - 1.8/10324=3, 4572/2.1=2 HB2 ASP 32 - QB ALA 134 lone 2 100 - 2 - HB3 CYS 121 - QB ALA 134 lone 1 62 - 1 - Peak 10324 from aliabs.peaks (2.95, 1.48, 17.85 ppm; 4.28 A): 6 out of 9 assignments used, quality = 0.67: HE2 LYS 48 + QB ALA 134 OK 21 100 - 21 - 3.0/9637=5, 3.0/9637=4...(4) HE3 LYS 48 + QB ALA 134 OK 19 96 - 20 - 3.0/9637=5, 3.0/9637=4...(4) HE2 LYS 93 + QB ALA 134 OK 18 100 - 18 - 3.0/9637=7, 5.1/9637=2...(4) HB2 PHE 106 + QB ALA 134 OK 18 100 - 18 - 3430/2.9=6, 4.0/4575=4...(4) HB2 TYR 115 + QB ALA 134 OK 12 100 - 12 - 1.8/10323=4, ~4572=2...(4) HE3 LYS 93 + QB ALA 134 OK 12 72 - 17 - 3.0/9637=7, 5.1/9637=2...(4) HE2 LYS 85 - QB ALA 134 lone 9 99 - 9 - 4.8/10321=2 HE3 LYS 85 - QB ALA 134 lone 8 89 - 8 - 4.8/10321=2 HB3 PHE 67 - QB ALA 134 lone 4 100 - 4 - Peak 10325 from aliabs.peaks (3.07, 1.54, 18.21 ppm; 4.57 A): 0 out of 9 assignments used, low quality = 0.28: HD3 ARG 49 - QB ALA 135 OK 19 98 - 20 - 1293/2.1=3, ~1284=2...(6) HA2 GLY 78 - QB ALA 135 OK 11 96 - 11 - 8706/10442=3...(3) HE2 LYS 86 - QB ALA 135 lone 8 89 - 9 - 4.9/9644=2, 9743/9732=2 HE3 LYS 86 - QB ALA 135 lone 7 85 - 9 - 4.9/9644=2, 9743/9732=2 HB3 ASP 30 - QB ALA 135 lone 5 100 - 5 - 3.8/6131=3 HE3 LYS 34 - QB ALA 135 lone 5 62 - 7 - 7.2/10452=3, 6.2/4586=2 HB3 HIS 10 - QB ALA 135 lone 4 81 - 5 - 10979/3.7=2 HB2 TYR 27 - QB ALA 135 lone 4 68 - 6 - 4.7/9657=3 HB3 TRP 88 - QB ALA 135 lone 4 100 - 4 - Peak 10326 from aliabs.peaks (4.46, 0.78, 13.00 ppm; 4.99 A): 4 out of 5 assignments used, quality = 0.93: HA ASP 137 + QD1 ILE 136 OK 83 85 - 97 - 2.9/4642=32, 9679/3.0=25...(31) HA ASP 41 + QD1 ILE 136 OK 33 94 - 35 - 9679/3.0=8, 3.0/10752=8...(10) HA SER 44 + QD1 ILE 136 OK 27 100 - 27 - 9679/3.0=6, ~10458=4...(8) HA SER 103 + QD1 ILE 136 OK 17 92 - 18 - 9679/3.0=5, 10461/2.1=3...(6) HA3 GLY 31 - QD1 ILE 136 lone 6 77 - 8 - 4.9/10756=1, 9679/3.0=1 Peak 10327 from aliabs.peaks (3.84, 1.00, 28.66 ppm; 4.79 A): 4 out of 6 assignments used, quality = 0.98: HA GLN 133 + HG12 ILE 136 OK 77 100 - 77 - 9618/2.1=24, 9616=18...(14) HA LEU 66 + HG12 ILE 136 OK 61 100 - 61 - 11155/2.3=10, 9666/2.1=9...(17) HA ALA 104 + HG12 ILE 136 OK 51 96 - 53 - 10328/2.3=8, 9666/2.1=8...(15) HD2 PRO 118 + HG12 ILE 136 OK 48 62 - 77 - ~9667=15, ~9667=13...(31) HB2 SER 127 - HG12 ILE 136 OK 43 99 - 43 - 9520/2.3=9, ~9521=6...(11) HB2 SER 100 - HG12 ILE 136 OK 24 92 - 26 - 9666/2.1=4, 10328/2.3=4...(7) Peak 10328 from aliabs.peaks (3.84, 0.89, 16.73 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.95: HA GLN 133 + QG2 ILE 136 OK 75 100 - 75 - 9601/4.3=14, 9618/3.0=13...(20) HA LEU 66 + QG2 ILE 136 OK 48 100 - 48 - 4.0/9892=7, 4.0/9901=6...(17) HA ALA 104 + QG2 ILE 136 OK 43 96 - 44 - 10199=7, 2.1/9195=7...(13) HD2 PRO 118 + QG2 ILE 136 OK 34 62 - 54 - ~9667=6, 2.3/9677=5...(22) HB2 SER 127 - QG2 ILE 136 OK 28 99 - 28 - 9520=6, 1.8/9521=4...(8) HB2 SER 100 - QG2 ILE 136 OK 22 92 - 24 - ~10473=3, 3.0/9162=3...(9) Peak 10329 from aliabs.peaks (4.29, 0.89, 16.73 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.88: HA ARG 140 + QG2 ILE 136 OK 62 89 - 70 - 3.8/11575=11...(33) HA PRO 118 + QG2 ILE 136 OK 44 81 - 55 - 3.8/9677=6, 2.3/10337=6...(23) HA3 GLY 78 + QG2 ILE 136 OK 34 96 - 35 - ~9669=8, ~9669=8...(8) HA LEU 95 + QG2 ILE 136 OK 16 81 - 19 - 3121/2.3=2, 10755/3.0=2...(5) Peak 10331 from aliabs.peaks (3.98, 0.89, 16.73 ppm; 4.81 A): 6 out of 6 assignments used, quality = 0.87: HB3 SER 127 + QG2 ILE 136 OK 37 81 - 45 - 1.8/9520=8, 9521=7...(12) HB2 SER 138 + QG2 ILE 136 OK 33 77 - 43 - 4.7/9727=12, 10481/4.3=9...(8) HB3 SER 138 + QG2 ILE 136 OK 30 72 - 41 - 4.7/9727=12, 10481/4.3=8...(8) HA GLU 75 + QG2 ILE 136 OK 29 99 - 30 - 10332/3.0=6, ~6792=4...(12) HA MET 113 + QG2 ILE 136 OK 27 72 - 37 - 5.4/9332=11, 10332/3.0=8...(9) HA LYS 114 + QG2 ILE 136 OK 14 62 - 22 - 10332/3.0=3, 6.3/10336=2...(7) Peak 10332 from aliabs.peaks (3.99, 0.78, 13.00 ppm; 4.65 A): 6 out of 6 assignments used, quality = 0.89: HA MET 113 + QD1 ILE 136 OK 43 85 - 51 - 5.4/9331=11, 3.7/10192=9...(11) HB3 SER 127 + QD1 ILE 136 OK 38 92 - 41 - 10331/3.0=7, 1.8/9666=6...(12) HA GLU 75 + QD1 ILE 136 OK 32 94 - 34 - 3.6/9664=6, 10331/3.0=5...(11) HB2 SER 138 + QD1 ILE 136 OK 26 89 - 30 - 9723/3.0=6, 3.0/10755=6...(5) HB3 SER 138 + QD1 ILE 136 OK 25 85 - 29 - 3.0/10755=6, 9723/3.0=6...(5) HA LYS 114 + QD1 ILE 136 OK 16 77 - 21 - 10331/3.0=2, 6.3/9670=1...(7) Peak 10333 from aliabs.peaks (3.33, 0.89, 16.73 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.80: HD3 ARG 109 + QG2 ILE 136 OK 56 99 - 57 - 1.8/10335=16...(10) HD2 ARG 124 + QG2 ILE 136 OK 41 72 - 57 - 9668/3.0=13...(20) HB2 TRP 88 + QG2 ILE 136 OK 22 68 - 33 - 9668/3.0=9, ~9669=6...(9) HB3 PHE 38 - QG2 ILE 136 lone 4 62 - 6 - 8402/9901=2, 8521/9892=1 Peak 10334 from aliabs.peaks (3.23, 0.89, 16.73 ppm; 3.55 A): 4 out of 5 assignments used, quality = 0.90: HD3 ARG 140 + QG2 ILE 136 OK 47 68 - 69 - 2.9/11575=9, 1.8/10503=7...(42) HD2 ARG 140 + QG2 ILE 136 OK 46 68 - 68 - 2.9/11575=9, 2.9/11015=6...(43) HD3 ARG 89 + QG2 ILE 136 OK 40 99 - 41 - 10499/9679=5, 2900/2.1=4...(18) HD3 ARG 124 + QG2 ILE 136 OK 40 92 - 43 - 1.8/10333=7, ~9668=5...(17) HB3 TYR 117 - QG2 ILE 136 lone 5 62 - 7 - 4.5/11705=3, 4.5/10328=2 Peak 10335 from aliabs.peaks (3.10, 0.89, 16.73 ppm; 4.16 A): 4 out of 6 assignments used, quality = 0.72: HD2 ARG 109 + QG2 ILE 136 OK 44 89 - 49 - 1.8/10333=15, ~9668=9...(10) HA ALA 105 + QG2 ILE 136 OK 33 100 - 33 - 2.9/9217=6, 11132/2.3=4...(11) HA TYR 119 + QG2 ILE 136 OK 18 100 - 18 - 9669/3.0=6, ~7463=2...(5) HD2 ARG 145 + QG2 ILE 136 OK 10 77 - 13 - 11132/2.3=1, ~11132=1 HD3 ARG 145 - QG2 ILE 136 poor 10 72 - 13 - 11132/2.3=1, ~11132=1 HB3 ASN 96 - QG2 ILE 136 lone 7 72 - 9 - ~9670=1, 4.7/7160=1, 11132/2.3=1 Peak 10336 from aliabs.peaks (2.81, 0.89, 16.73 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.79: HB3 ASN 139 + QG2 ILE 136 OK 70 100 - 70 - 4601/3.2=21, ~4600=13...(15) HB3 ASP 41 + QG2 ILE 136 OK 22 92 - 23 - 4601/3.2=6, 3.0/9679=6...(7) HE3 LYS 114 + QG2 ILE 136 OK 12 72 - 16 - 1.8/9676=3, 4600/3.2=2...(5) HB2 ASN 128 - QG2 ILE 136 lone 8 100 - 7 - 4601/3.2=1, 3.9/9523=1 HB3 ASN 84 - QG2 ILE 136 lone 7 68 - 10 - 1.8/9676=2, 9645/10319=2...(4) Peak 10337 from aliabs.peaks (2.41, 0.89, 16.73 ppm; 4.47 A): 4 out of 11 assignments used, quality = 0.99: HB3 PRO 118 + QG2 ILE 136 OK 73 98 - 75 - 2.3/10329=11, 2.3/9677=9...(33) HB ILE 91 + QG2 ILE 136 OK 69 99 - 70 - 3.0/4612=9, 2955/3.2=6...(29) HG3 GLN 133 + QG2 ILE 136 OK 63 85 - 74 - 3.5/9607=24, 3.5/9665=19...(16) HG2 GLN 133 + QG2 ILE 136 OK 60 81 - 74 - 3.5/9607=24, 3.5/9665=19...(16) HG3 MET 59 - QG2 ILE 136 OK 31 89 - 35 - 3.4/10661=6, 4.6/10530=2...(17) HG2 MET 59 - QG2 ILE 136 OK 27 77 - 35 - 3.4/10661=6, 4.6/10530=2...(16) HG2 MET 46 - QG2 ILE 136 OK 21 85 - 25 - 3.0/9676=5, 3.0/10710=5...(10) QE MET 46 - QG2 ILE 136 OK 20 77 - 26 - 4.2/10710=4, 4.2/9676=4...(9) HG3 GLN 47 - QG2 ILE 136 OK 13 62 - 21 - 1.8/10307=2, 4.9/10457=2...(9) HG2 GLN 47 - QG2 ILE 136 OK 13 62 - 21 - 1.8/10307=2, 4.9/10457=2...(9) HG3 GLN 25 - QG2 ILE 136 lone 9 89 - 10 - ~9672=4, ~9672=2 Peak 10338 from aliabs.peaks (1.37, 0.89, 16.73 ppm; 3.67 A): 3 out of 5 assignments used, quality = 0.94: HG LEU 132 + QG2 ILE 136 OK 83 92 - 91 - 2.1/9683=19, ~9686=14...(44) HB3 LEU 39 + QG2 ILE 136 OK 46 94 - 49 - 1.8/4615=8, 9688/3.0=8...(16) HD3 LYS 76 + QG2 ILE 136 OK 28 89 - 32 - 10464/4.0=8, 9688/3.0=4...(11) HB2 LEU 69 - QG2 ILE 136 OK 22 68 - 33 - 9688/3.0=4, 3.0/10963=3...(17) HB3 ARG 49 - QG2 ILE 136 OK 17 98 - 17 - 10464/4.0=4, 9688/3.0=3 Peak 10339 from aliabs.peaks (1.54, 1.00, 28.66 ppm; 4.20 A): 5 out of 8 assignments used, quality = 0.94: QB ALA 135 + HG12 ILE 136 OK 71 94 - 76 - 10964=29, 3.7/7749=20...(14) HG2 LYS 93 + HG12 ILE 136 OK 57 98 - 58 - 9689/2.1=8, 3.0/4631=5...(30) HD2 LYS 76 + HG12 ILE 136 OK 33 100 - 33 - 9689/2.1=6, ~9688=4...(12) HG3 LYS 76 + HG12 ILE 136 OK 18 77 - 24 - 9689/2.1=6, ~9689=3...(8) HB2 LEU 29 + HG12 ILE 136 OK 16 81 - 19 - ~9672=5, 9689/2.1=3...(8) HG3 ARG 55 - HG12 ILE 136 lone 7 77 - 9 - ~8249=6, ~11135=1 HG2 ARG 55 - HG12 ILE 136 lone 6 68 - 9 - ~8249=6, ~11135=1 HB3 LEU 79 - HG12 ILE 136 lone 5 99 - 5 - 10022/10021=2 Peak 10340 from aliabs.peaks (1.26, 0.78, 13.00 ppm; 3.71 A): 3 out of 6 assignments used, quality = 0.96: HB2 LEU 132 + QD1 ILE 136 OK 91 100 - 91 - 3.2/9686=28, 10467=18...(39) HB3 LEU 97 + QD1 ILE 136 OK 39 100 - 38 - 10467=8, 3.2/4638=4...(13) QG2 THR 99 + QD1 ILE 136 OK 34 98 - 35 - 10467=7, 9155/3.0=4...(9) HG3 LYS 61 - QD1 ILE 136 OK 15 100 - 15 - 10467=3, 4504/9686=3...(4) QG2 THR 102 - QD1 ILE 136 OK 15 96 - 15 - 10467=3, 9191/3.0=2, ~9190=1 HG2 LYS 61 - QD1 ILE 136 OK 12 92 - 13 - 1.8/10467=3, 10467=2...(4) Peak 10341 from aliabs.peaks (1.99, 0.78, 13.00 ppm; 2.66 A): 6 out of 10 assignments used, quality = 0.69: HB2 GLN 111 + QD1 ILE 136 OK 24 99 - 24 - 10466=8, 3.0/10752=3...(8) HB3 ARG 124 + QD1 ILE 136 OK 20 100 - 21 - 3.8/9668=4, 3.9/4635=2...(6) HB ILE 56 + QD1 ILE 136 OK 20 100 - 20 - 3.2/9685=4, 2.1/4638=3...(7) QE MET 113 + QD1 ILE 136 OK 19 68 - 29 - 10466=11, 9330/9686=4...(8) HB3 GLU 75 + QD1 ILE 136 OK 11 77 - 15 - 10466=3, 3.0/10332=2...(6) HG3 PRO 52 + QD1 ILE 136 OK 11 85 - 12 - 10466=4, 11044/3.0=1, 1.8/4637=1 QE MET 11 - QD1 ILE 136 lone 7 98 - 7 - 10466=2 HB3 GLU 90 - QD1 ILE 136 lone 5 68 - 8 - 10466=2, 3.0/8957=2, ~8958=1 HB VAL 63 - QD1 ILE 136 lone 4 68 - 6 - 10466=1 HB2 GLU 142 - QD1 ILE 136 lone 4 94 - 4 - 10466=1 Peak 10342 from aliabs.peaks (0.60, 1.00, 28.66 ppm; 4.46 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 132 + HG12 ILE 136 OK 98 100 - 98 - ~9686=29, ~9686=24...(39) QG1 VAL 71 + HG12 ILE 136 OK 77 92 - 84 - 9685/2.1=15, 2.1/8517=14...(27) QD1 LEU 66 + HG12 ILE 136 OK 74 100 - 74 - 9892/2.3=16, 9685/2.1=10...(23) Peak 10343 from aliabs.peaks (0.78, 4.47, 56.38 ppm; 5.26 A): 2 out of 5 assignments used, quality = 0.95: QD1 ILE 136 + HA ASP 137 OK 93 94 - 98 - 4642/2.9=31, 3.0/9679=27...(34) QD2 LEU 72 + HA ASP 137 OK 30 92 - 33 - 7765/2.9=7, 4597/5.0=7...(8) QG2 VAL 73 - HA ASP 137 OK 22 85 - 26 - 7765/2.9=7, 4597/5.0=5...(9) QD1 LEU 72 - HA ASP 137 OK 21 72 - 29 - 4597/5.0=6, ~7765=5...(8) QD2 LEU 95 - HA ASP 137 OK 12 68 - 18 - 2.1/9703=6, 3.1/9704=2...(5) Peak 10344 from aliabs.peaks (1.83, 4.27, 60.21 ppm; 3.71 A): 3 out of 5 assignments used, quality = 0.50: HB2 ARG 141 + HA SER 138 OK 25 77 - 33 - 1.8/9717=9, 3.5/9715=7...(10) HB2 LYS 93 + HA SER 138 OK 23 94 - 25 - 3.4/10345=9, 1.8/9717=7...(6) HB VAL 80 + HA SER 138 OK 12 94 - 13 - ~9702=7, ~9991=2 HD3 LYS 36 - HA SER 138 poor 9 68 - 13 - ~9712=3, ~9698=2...(5) HB3 MET 68 - HA SER 138 lone 4 72 - 6 - ~10474=2 Peak 10345 from aliabs.peaks (1.70, 4.27, 60.21 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.60: HD2 LYS 93 + HA SER 138 OK 38 100 - 39 - 10468=13, 3.4/10344=11...(8) HB3 LEU 95 + HA SER 138 OK 36 100 - 36 - 1.8/10468=7, 3136=6...(13) HD2 LYS 86 - HA SER 138 lone 8 100 - 8 - 1.8/10469=2...(3) HB2 LYS 85 - HA SER 138 lone 4 62 - 6 - 3028/10344=1 HG LEU 26 - HA SER 138 lone 2 68 - 2 - Peak 10346 from aliabs.peaks (1.67, 2.69, 40.38 ppm; 5.64 A): 3 out of 14 assignments used, quality = 0.99: HG13 ILE 136 + HB2 ASP 137 OK 91 100 - 91 - 4634/3.8=25, ~9679=21...(18) HG2 ARG 89 + HB2 ASP 137 OK 81 100 - 82 - 10372/3.0=33, ~10499=22...(15) HG2 ARG 140 + HB2 ASP 137 OK 60 68 - 89 - ~10498=20, ~10373=16...(18) HD3 LYS 93 - HB2 ASP 137 OK 25 99 - 26 - 4634/3.8=6, 10461/3.0=3...(7) HB2 LEU 95 - HB2 ASP 137 OK 17 100 - 17 - ~9703=3, ~9062=2...(7) HG LEU 97 - HB2 ASP 137 OK 12 62 - 19 - ~9705=7, 2.1/9711=3...(5) HB2 MET 68 - HB2 ASP 137 OK 11 100 - 11 - 7764/3.8=3, 9704/3.0=2...(4) HB2 PRO 57 - HB2 ASP 137 poor 9 81 - 12 - 7764/3.8=3, 8263/9676=2 HG3 ARG 141 - HB2 ASP 137 poor 8 68 - 12 - ~4722=2, ~4650=2...(5) HB VAL 71 - HB2 ASP 137 lone 8 100 - 8 - ~8504=1, 9704/3.0=1 HD2 LYS 48 - HB2 ASP 137 lone 7 100 - 7 - 9637/10323=2 HD3 LYS 48 - HB2 ASP 137 lone 7 99 - 7 - 9637/10323=1 HG2 ARG 124 - HB2 ASP 137 lone 5 68 - 8 - ~9713=2, 9704/3.0=2, ~9713=2 HB2 ARG 145 - HB2 ASP 137 lone 3 100 - 3 - Peak 10347 from aliabs.peaks (3.19, 4.00, 62.89 ppm; 4.92 A): 7 out of 16 assignments used, quality = 0.92: HD3 ARG 144 + HB2 SER 138 OK 37 100 - 37 - 9715/3.0=13, ~9715=10...(6) HD3 ARG 144 + HB3 SER 138 OK 37 100 - 37 - 9715/3.0=13, ~9715=10...(6) HD2 ARG 144 + HB2 SER 138 OK 35 94 - 37 - 9715/3.0=13, ~9715=10...(6) HD2 ARG 144 + HB3 SER 138 OK 35 94 - 37 - 9715/3.0=13, ~9715=10...(6) HD2 ARG 141 + HB2 SER 138 OK 24 81 - 30 - 9715/3.0=12, ~10468=5...(6) HD2 ARG 141 + HB3 SER 138 OK 24 81 - 30 - 9715/3.0=12, ~10468=5...(6) HA VAL 73 + HB2 SER 138 OK 21 89 - 24 - 9715/3.0=6, 3.0/6753=4...(7) HA VAL 73 - HB3 SER 138 OK 21 88 - 24 - 9715/3.0=6, 3.0/6753=4...(7) HD3 ARG 141 - HB2 SER 138 OK 17 62 - 27 - ~9715=9, ~10468=5...(6) HD3 ARG 141 - HB3 SER 138 OK 17 62 - 27 - ~9715=9, ~10468=5...(6) HD3 ARG 55 - HB2 SER 138 lone 6 98 - 6 - 9715/3.0=2, ~9715=2 HD3 ARG 55 - HB3 SER 138 lone 6 98 - 6 - 9715/3.0=2, ~9715=2 HD2 ARG 55 - HB2 SER 138 lone 5 85 - 6 - 9715/3.0=2, ~9715=2 HD2 ARG 55 - HB3 SER 138 lone 5 85 - 6 - 9715/3.0=2, ~9715=2 HA LEU 39 - HB2 SER 138 lone 4 92 - 5 - 9715/3.0=1 HA LEU 39 - HB3 SER 138 lone 4 91 - 5 - 9715/3.0=1 Peak 10348 from aliabs.peaks (2.78, 4.27, 60.21 ppm; 5.06 A): 5 out of 5 assignments used, quality = 0.71: HB3 ASN 84 + HA SER 138 OK 39 89 - 44 - 3.0/10349=30, 3.5/8843=6...(6) HG3 GLN 111 + HA SER 138 OK 20 100 - 20 - 3.9/10485=5, 3.0/9717=4...(7) HB3 TYR 119 + HA SER 138 OK 18 100 - 18 - ~10709=9, 2563/10349=2...(5) HB2 ASP 41 + HA SER 138 OK 14 81 - 17 - 3.0/10472=8, ~7777=3...(5) HB3 ASP 41 + HA SER 138 OK 14 62 - 22 - 3.0/10472=8, ~7777=3...(7) Peak 10349 from aliabs.peaks (4.45, 4.27, 60.21 ppm; 4.44 A): 0 out of 3 assignments used, low quality = 0.16: HA ASN 84 - HA SER 138 OK 16 68 - 24 - 3.0/10348=10...(6) HA ILE 58 - HA SER 138 lone 4 72 - 5 - 10357/4.8=2 HB THR 18 - HA SER 138 lone 1 72 - 1 - Peak 10350 from aliabs.peaks (4.64, 4.27, 60.21 ppm; 4.67 A): 3 out of 6 assignments used, quality = 0.89: HA ASN 139 + HA SER 138 OK 84 85 - 98 - 4.8=90, ~7783=22...(17) HA ASP 32 + HA SER 138 OK 17 96 - 17 - 3.0/9716=5, 10484/2.9=3...(7) HA GLN 62 + HA SER 138 OK 14 100 - 14 - 7794/3.6=5, 3.0/9717=3...(5) HA LEU 87 - HA SER 138 lone 9 100 - 9 - 7794/3.6=1, 3.0/9718=1 HA ARG 124 - HA SER 138 lone 5 85 - 6 - ~7774=3 HA PRO 129 - HA SER 138 lone 2 94 - 2 - Peak 10351 from aliabs.peaks (4.65, 2.69, 40.38 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.79: HA ASN 139 + HB2 ASP 137 OK 53 100 - 53 - 10484/4.5=24, ~7789=20...(4) HA ASP 32 + HB2 ASP 137 OK 39 99 - 39 - 10484/4.5=6, 412=6...(12) HA ASP 16 + HB2 ASP 137 OK 17 94 - 17 - 3.0/6039=4, 3.6/6045=3...(7) HA GLN 111 + HB2 ASP 137 OK 13 77 - 17 - 10484/4.5=3, 2.9/9709=2...(6) HA GLN 62 - HB2 ASP 137 lone 8 85 - 9 - 10484/4.5=1, ~4650=1, ~4649=1 HA LEU 87 - HB2 ASP 137 lone 6 81 - 7 - 10484/4.5=2 Peak 10352 from aliabs.peaks (3.72, 4.01, 62.85 ppm; 3.89 A): 3 out of 10 assignments used, quality = 0.53: HA THR 107 + HB3 SER 100 OK 33 89 - 38 - 3448=6, ~11044=5...(11) HA ILE 91 + HA VAL 63 OK 17 47 - 35 - 2948/3.2=6, 3.0/781=4...(14) HA THR 107 + HA VAL 63 OK 16 45 - 35 - 3448=5, 3.2/3461=3...(17) HA ILE 136 - HB3 SER 100 poor 9 72 - 13 - ~9162=2, ~4602=2...(6) HA LEU 108 - HA VAL 63 poor 9 32 - 27 - 2.8/7269=4, 3466/3.2=3...(13) HA LEU 108 - HB3 SER 100 lone 6 68 - 9 - 2.8/7269=4, ~7263=3 HA ILE 91 - HB3 SER 100 lone 6 92 - 7 - 8964=3, ~7047=1 HB THR 74 - HB3 SER 100 lone 6 96 - 6 - ~8609=3, ~8609=2 HA ILE 136 - HA VAL 63 lone 2 34 - 5 - 5.0/8364=2 HB THR 74 - HA VAL 63 lone 1 51 - 2 - Peak 10353 from aliabs.peaks (3.71, 4.47, 56.38 ppm; 5.14 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 136 + HA ASP 137 OK 100 100 - 100 - 5.0=100 HA THR 107 + HA ASP 137 OK 46 100 - 46 - 3446/3.6=11, 3.0/4647=10...(12) HA ILE 91 - HA ASP 137 OK 26 100 - 26 - 7760/2.9=6, 7775/3.6=4...(10) HB THR 74 - HA ASP 137 OK 17 99 - 18 - 7760/2.9=5, 7775/3.6=3...(7) Peak 10354 from aliabs.peaks (4.27, 4.65, 54.54 ppm; 4.32 A): 2 out of 6 assignments used, quality = 0.97: HA SER 138 + HA ASN 139 OK 94 100 - 95 - 4.8=71, ~7783=18...(17) HA ALA 135 + HA ASN 139 OK 42 89 - 47 - 10446/4.5=14, 7791/3.0=8...(12) HA ARG 49 - HA ASN 139 OK 14 100 - 14 - 7823/3.6=3, 9748/4.5=2...(6) HA LEU 95 - HA ASN 139 OK 11 99 - 11 - 7791/3.0=2...(5) HB THR 99 - HA ASN 139 lone 7 100 - 7 - ~10117=1 HA3 GLY 78 - HA ASN 139 lone 3 89 - 3 - Peak 10355 from aliabs.peaks (3.99, 4.65, 54.54 ppm; 4.36 A): 3 out of 7 assignments used, quality = 0.99: HB2 SER 138 + HA ASN 139 OK 83 100 - 83 - 4679/3.0=18...(19) HB3 SER 138 + HA ASN 139 OK 82 99 - 83 - 4679/3.0=18...(19) HA LYS 114 + HA ASN 139 OK 58 96 - 60 - 4.8/9339=13, 3.0/3753=8...(18) HB3 SER 127 - HA ASN 139 OK 16 100 - 16 - 9749/4.5=11, 9751/3.6=2 HA MET 113 - HA ASN 139 OK 15 99 - 16 - 3.6/7393=4, 3788/9339=1 HA GLU 75 - HA ASN 139 poor 8 72 - 11 - 9749/4.5=7, 3.0/10361=1 HA LEU 69 - HA ASN 139 lone 5 68 - 7 - 9751/3.6=2, 7793/3.0=1 Peak 10356 from aliabs.peaks (3.70, 4.65, 54.54 ppm; 5.49 A): 2 out of 4 assignments used, quality = 0.95: HA ILE 136 + HA ASN 139 OK 92 98 - 94 - 4599/3.0=44, 4600/3.0=35...(15) HA THR 107 + HA ASN 139 OK 36 89 - 40 - 7787/3.0=8, 4695/3.0=6...(13) HA ILE 91 - HA ASN 139 OK 30 85 - 35 - 9750/4.5=10, 4695/3.0=8...(9) HB THR 74 - HA ASN 139 OK 21 77 - 27 - ~9937=8, 7813/3.6=6...(5) Peak 10357 from aliabs.peaks (4.43, 4.65, 54.54 ppm; 4.45 A): 3 out of 4 assignments used, quality = 0.56: HA ASP 40 + HA ASN 139 OK 30 85 - 35 - 3.0/4682=8, 871/3.0=5...(14) HA ASN 84 + HA ASN 139 OK 29 100 - 29 - 10349/4.8=8, 8838/4.5=8...(6) HA ILE 58 + HA ASN 139 OK 11 100 - 11 - 10037/10363=3...(4) HB THR 18 - HA ASN 139 lone 2 100 - 2 - Peak 10358 from aliabs.peaks (2.10, 4.65, 54.54 ppm; 4.39 A): 2 out of 7 assignments used, quality = 0.58: HB3 GLU 142 + HA ASN 139 OK 51 94 - 54 - 3.0/10359=27, 10380=20...(4) HG2 PRO 33 + HA ASN 139 OK 14 99 - 14 - 2.3/422=4, 2.3/424=4...(4) HG2 PRO 118 - HA ASN 139 lone 9 99 - 9 - 3964/4.9=5 HG3 PRO 33 - HA ASN 139 poor 8 62 - 14 - 2.3/422=4, 2.3/424=4...(4) HB3 LYS 36 - HA ASN 139 lone 6 100 - 6 - 3.6/10362=2 HG2 GLU 122 - HA ASN 139 lone 2 85 - 3 - HB3 GLN 25 - HA ASN 139 lone 2 100 - 2 - Peak 10359 from aliabs.peaks (2.32, 4.65, 54.54 ppm; 4.51 A): 0 out of 2 assignments used, low quality = 0.43: HG2 GLU 142 - HA ASN 139 OK 43 100 - 43 - 3.0/10358=18, 10508=15 HB3 GLN 47 - HA ASN 139 lone 4 68 - 6 - 4.0/4686=2, 1110/3.6=2 Peak 10360 from aliabs.peaks (2.31, 4.00, 62.89 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.00: HG2 GLU 142 - HB2 SER 138 lone 8 89 - 9 - 10359/10486=6 HG2 GLU 142 - HB3 SER 138 lone 8 88 - 9 - 10359/10486=6 Peak 10361 from aliabs.peaks (1.99, 4.65, 54.54 ppm; 3.69 A): 3 out of 10 assignments used, quality = 0.58: HB2 GLU 142 + HA ASN 139 OK 39 96 - 41 - 3.0/10359=19...(3) HB2 GLN 111 + HA ASN 139 OK 21 98 - 21 - ~10494=3, 1.8/3628=3...(11) HB VAL 63 + HA ASN 139 OK 12 62 - 20 - ~9834=13, 3.0/10125=5 HB ILE 56 - HA ASN 139 lone 10 100 - 10 - ~8258=5, ~9729=2 QE MET 11 - HA ASN 139 lone 5 96 - 5 - HB3 GLU 75 - HA ASN 139 lone 4 81 - 5 - 4854/10359=2 HB3 ARG 124 - HA ASN 139 lone 3 99 - 3 - QE MET 113 - HA ASN 139 lone 3 62 - 4 - HG3 PRO 52 - HA ASN 139 lone 2 81 - 2 - HB3 GLU 90 - HA ASN 139 lone 2 62 - 3 - 3.9/11690=2 Peak 10362 from aliabs.peaks (1.72, 4.65, 54.54 ppm; 4.59 A): 3 out of 8 assignments used, quality = 0.52: HB3 GLU 81 + HA ASN 139 OK 29 92 - 31 - 9731/4.5=5, 10493/3.0=5...(11) HG3 ARG 89 + HA ASN 139 OK 23 96 - 24 - 2883/4.9=9, 10493/3.0=3...(8) HB3 ARG 144 + HA ASN 139 OK 12 81 - 15 - 9731/4.5=3, ~10495=3...(6) HB ILE 58 - HA ASN 139 poor 9 72 - 13 - 3.0/10357=5, ~8289=5 HD2 LYS 36 - HA ASN 139 poor 8 72 - 11 - 9731/4.5=3, 3.6/10358=2...(5) HD2 LYS 93 - HA ASN 139 lone 7 77 - 10 - 10468/4.8=5, ~9726=1 HB3 ARG 109 - HA ASN 139 lone 6 100 - 6 - 4.6/11259=1, ~9740=1 HB2 LYS 85 - HA ASN 139 lone 4 100 - 4 - 8853/10357=1 Peak 10363 from aliabs.peaks (0.87, 4.65, 54.54 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.71: QG2 ILE 83 + HA ASN 139 OK 67 94 - 71 - 10026/3.0=25...(15) QD1 LEU 64 + HA ASN 139 OK 12 99 - 12 - 9729/3.0=3, ~10495=2, 9733/4.5=2 HB3 LEU 42 - HA ASN 139 lone 8 100 - 8 - ~8148=2, 9737/4.5=1...(4) Peak 10365 from aliabs.peaks (1.64, 2.83, 39.01 ppm; 5.38 A): 4 out of 10 assignments used, quality = 0.93: HB2 LYS 114 + HB2 ASN 139 OK 71 96 - 74 - 3741/3.0=15, ~3753=13...(15) HG2 ARG 140 + HB2 ASN 139 OK 58 85 - 67 - 4.9/7819=25...(9) HB2 LYS 114 + HB2 ASP 40 OK 39 52 - 75 - 3751=11, 3.6/3796=10...(18) HG2 ARG 124 + HB2 ASN 139 OK 12 85 - 14 - 7826/4.6=3, 10659/9729=2...(4) HB3 LEU 26 - HB2 ASN 139 lone 10 100 - 10 - 10495/1.8=4, 10659/9729=3 HB2 PRO 57 - HB2 ASP 40 poor 9 34 - 25 - ~1529=2, ~6280=2...(12) HG2 ARG 140 - HB2 ASP 40 poor 7 43 - 17 - 3.8/10497=5, 4.9/7819=5...(4) HB2 PRO 57 - HB2 ASN 139 lone 7 72 - 9 - 10659/9729=2 HG2 ARG 124 - HB2 ASP 40 lone 2 43 - 6 - HB3 LEU 26 - HB2 ASP 40 lone 2 57 - 4 - Peak 10366 from aliabs.peaks (0.88, 4.29, 57.11 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.97: QG2 ILE 136 + HA ARG 140 OK 81 89 - 91 - 11016/3.8=18...(34) QG2 ILE 101 + HA ARG 140 OK 65 94 - 69 - 11016/3.8=12...(24) QD1 ILE 101 + HA ARG 140 OK 57 89 - 64 - 11015/3.8=11...(21) QG2 ILE 56 - HA ARG 140 OK 34 98 - 35 - 10604/2.9=10...(8) QD1 LEU 97 - HA ARG 140 OK 24 85 - 28 - 11016/3.8=4, 11015/3.8=4...(10) Peak 10367 from aliabs.peaks (0.89, 1.93, 30.10 ppm; 5.28 A): 4 out of 12 assignments used, quality = 1.00: QG2 ILE 136 + HB2 ARG 140 OK 94 100 - 94 - 10329/3.0=17...(49) QG2 ILE 136 + HB2 PRO 118 OK 84 97 - 87 - 10329/2.3=13, ~9667=12...(37) QG2 ILE 101 + HB2 ARG 140 OK 74 100 - 74 - 11575/2.9=10...(36) QD1 ILE 101 + HB2 ARG 140 OK 71 100 - 71 - 11575/2.9=10...(30) QG2 ILE 56 - HB2 ARG 140 OK 28 100 - 28 - 10604/4.0=8, 11016/2.9=3...(8) QD1 LEU 97 - HB2 ARG 140 OK 27 100 - 27 - 10132/1.8=4, 11016/2.9=3...(12) QG2 ILE 101 - HB2 PRO 118 OK 19 97 - 19 - 11705/3.0=2, 9169/3.0=2...(4) QG2 VAL 80 - HB2 ARG 140 OK 19 68 - 27 - 9738/4.0=4, 11575/2.9=3...(7) QG2 VAL 80 - HB2 PRO 118 OK 18 62 - 29 - 9956/4.3=4, 11705/3.0=4...(8) QD1 ILE 101 - HB2 PRO 118 OK 18 97 - 18 - 11705/3.0=3, ~11705=2 QD1 LEU 97 - HB2 PRO 118 poor 10 96 - 10 - 11705/3.0=2 QG2 ILE 56 - HB2 PRO 118 lone 8 97 - 9 - 11200/11031=1 Peak 10368 from aliabs.peaks (2.82, 4.29, 57.11 ppm; 4.48 A): 3 out of 4 assignments used, quality = 0.87: HB2 ASN 139 + HA ARG 140 OK 79 94 - 84 - 7819/2.9=27, ~7820=22...(14) HE3 LYS 114 + HA ARG 140 OK 23 100 - 23 - 10497=6, 7819/2.9=6...(5) HB2 ASP 40 + HA ARG 140 OK 20 96 - 21 - 10497=6, 7819/2.9=6, 4682/4.9=5 HB2 ASN 130 - HA ARG 140 lone 7 100 - 7 - 10497=2, 7819/2.9=2, 4682/4.9=1 Peak 10369 from aliabs.peaks (4.46, 4.29, 57.11 ppm; 4.11 A): 4 out of 5 assignments used, quality = 0.84: HA ASP 137 + HA ARG 140 OK 66 98 - 68 - 7814/2.9=16...(17) HA SER 103 + HA ARG 140 OK 27 100 - 27 - 7814/2.9=6, 4722/3.0=5...(7) HA ASP 41 + HA ARG 140 OK 23 100 - 23 - 7814/2.9=7, 10498/3.8=4...(6) HA SER 44 + HA ARG 140 OK 15 100 - 15 - 996/2.9=4, 10373/3.8=3...(5) HA3 GLY 31 - HA ARG 140 lone 8 94 - 9 - 7814/2.9=2, 4712/3.0=2...(4) Peak 10370 from aliabs.peaks (4.66, 4.29, 57.11 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.90: HA ASN 139 + HA ARG 140 OK 83 85 - 97 - 4.9=85, 7818/2.9=24...(15) HA GLN 111 + HA ARG 140 OK 41 100 - 41 - 10374/3.0=14, 3614/3.8=6...(10) HA ASP 32 - HA ARG 140 lone 4 68 - 5 - 7818/2.9=2, 4.9/10369=2 HA ASP 16 - HA ARG 140 lone 3 100 - 3 - Peak 10372 from aliabs.peaks (4.47, 1.67, 27.30 ppm; 4.15 A): 1 out of 5 assignments used, quality = 0.63: HA ASP 137 + HG2 ARG 89 OK 63 100 - 63 - 10499/3.0=25, 9704=10...(19) HA SER 103 - HG2 ARG 89 lone 7 100 - 7 - 10499/3.0=3 HA ASP 41 - HG2 ARG 89 lone 7 100 - 7 - 10499/3.0=3 HA SER 44 - HG2 ARG 89 lone 5 98 - 5 - 10499/3.0=2 HA3 GLY 31 - HG2 ARG 89 lone 3 99 - 3 - 10499/3.0=1 Peak 10373 from aliabs.peaks (4.46, 1.74, 27.04 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.75: HA ASP 137 + HG3 ARG 140 OK 55 77 - 71 - 9703=14, 4712/2.9=12...(19) HA SER 103 + HG3 ARG 140 OK 23 85 - 27 - 4722/2.9=5, 4712/2.9=5...(6) HA ASP 41 + HG3 ARG 140 OK 16 89 - 18 - 10369/3.8=4, 7814/4.9=4...(5) HA SER 44 + HG3 ARG 140 OK 15 98 - 15 - 4722/2.9=3, 996/4.9=3...(5) HA3 GLY 31 - HG3 ARG 140 lone 5 68 - 7 - 4712/2.9=2, 4722/2.9=2...(4) Peak 10374 from aliabs.peaks (4.66, 1.93, 30.10 ppm; 5.07 A): 3 out of 6 assignments used, quality = 0.61: HA GLN 111 + HB2 ARG 140 OK 47 99 - 48 - 10370/3.0=11, 3614/2.9=9...(16) HA GLN 111 + HB2 PRO 118 OK 15 95 - 15 - ~3631=2, 3608/2.3=2...(5) HA MET 11 + HB2 ARG 140 OK 13 85 - 15 - 2.9/4721=3, 3.8/56=2...(8) HA MET 11 - HB2 PRO 118 poor 9 80 - 11 - 3.8/56=3, 3.8/64=3...(4) HA ASP 16 - HB2 ARG 140 lone 2 89 - 3 - HA ASP 16 - HB2 PRO 118 lone 1 83 - 2 - Peak 10375 from aliabs.peaks (3.96, 4.24, 56.73 ppm; 5.83 A): 4 out of 9 assignments used, quality = 0.73: HA LYS 48 + HA ARG 141 OK 38 100 - 38 - 3.8/4772=5, 3.8/8186=5...(12) HA3 GLY 143 + HA ARG 141 OK 29 100 - 29 - ~7864=8, 3.0/7865=7...(6) HA3 GLY 94 + HA ARG 141 OK 27 100 - 27 - 9046=6, ~9051=5...(6) HB3 SER 103 + HA ARG 141 OK 17 100 - 17 - 4.6/9206=4, 4.1/7209=3...(6) HA ALA 60 - HA ARG 141 lone 7 100 - 7 - 2.1/9816=3 HA PHE 106 - HA ARG 141 lone 5 96 - 6 - HA LYS 86 - HA ARG 141 lone 3 72 - 5 - HD3 PRO 129 - HA ARG 141 lone 1 68 - 2 - HA LEU 29 - HA ARG 141 lone 1 62 - 2 - Peak 10376 from aliabs.peaks (0.88, 3.22, 43.34 ppm; 4.19 A): 4 out of 10 assignments used, quality = 0.98: QG2 ILE 136 + HD2 ARG 140 OK 74 89 - 84 - 10463=12, 11016/2.9=12...(50) QG2 ILE 136 + HD3 ARG 140 OK 73 89 - 83 - 11016/2.9=12...(50) QG2 ILE 101 + HD2 ARG 140 OK 49 94 - 52 - 11016/2.9=8, 11015/2.9=8...(27) QG2 ILE 101 + HD3 ARG 140 OK 48 94 - 51 - 11016/2.9=8, 11015/2.9=8...(27) QD1 ILE 101 - HD2 ARG 140 OK 42 89 - 47 - 11016/2.9=7, 11015/2.9=7...(22) QD1 ILE 101 - HD3 ARG 140 OK 41 89 - 47 - 11016/2.9=7, 11015/2.9=7...(22) QG2 ILE 56 - HD2 ARG 140 OK 14 98 - 15 - 11016/2.9=3, 10604/6.0=3...(5) QG2 ILE 56 - HD3 ARG 140 OK 14 98 - 14 - 11016/2.9=3, 10604/6.0=3...(5) QD1 LEU 97 - HD2 ARG 140 OK 13 85 - 15 - 11016/2.9=2, 11015/2.9=2...(5) QD1 LEU 97 - HD3 ARG 140 OK 13 85 - 15 - 11016/2.9=2, 11015/2.9=2...(5) Peak 10377 from aliabs.peaks (0.79, 3.22, 43.34 ppm; 4.60 A): 2 out of 12 assignments used, quality = 0.94: QD1 ILE 136 + HD2 ARG 140 OK 76 85 - 89 - 10504=14, 3.0/10463=11...(54) QD1 ILE 136 + HD3 ARG 140 OK 75 85 - 88 - 10504/1.8=12...(55) QD2 LEU 72 - HD2 ARG 140 OK 21 98 - 21 - 10504=3, 2.1/10504=2...(7) QD2 LEU 72 - HD3 ARG 140 OK 19 98 - 19 - 10504/1.8=3, 2148/6.0=2...(6) QD2 LEU 95 - HD2 ARG 140 OK 12 81 - 14 - 3.9/4751=1, ~9072=1 QD2 LEU 95 - HD3 ARG 140 OK 12 81 - 14 - ~9072=1, 3.9/4760=1 QG2 VAL 73 - HD2 ARG 140 OK 11 72 - 15 - 8574/5.4=3, 10504=3...(4) QD1 LEU 79 - HD2 ARG 140 poor 10 72 - 14 - 2.1/8726=3, ~8726=2...(5) QG2 VAL 73 - HD3 ARG 140 poor 10 72 - 13 - 8574/5.4=3, 10504/1.8=2...(4) QD1 LEU 79 - HD3 ARG 140 poor 9 72 - 13 - ~8726=2, ~8726=2...(5) QG2 THR 74 - HD2 ARG 140 lone 3 68 - 5 - 8700/8691=1 QG2 THR 74 - HD3 ARG 140 lone 3 68 - 4 - Peak 10378 from aliabs.peaks (4.64, 1.98, 29.77 ppm; 4.21 A): 4 out of 7 assignments used, quality = 0.75: HA ASN 139 + HB2 GLU 142 OK 50 98 - 51 - 10359/3.0=24...(4) HA ASP 32 + HB2 GLU 142 OK 25 100 - 26 - 10507/1.8=8, 3.0/4844=6...(7) HA PRO 129 + HB2 GLU 142 OK 22 77 - 28 - 2.3/4841=4, 10379/3.0=3...(13) HA ARG 124 + HB2 GLU 142 OK 15 62 - 24 - 10379/3.0=3, 3.0/4207=2...(12) HA GLN 62 - HB2 GLU 142 lone 10 98 - 10 - 10508/3.0=2, 10380/1.8=1 HA LEU 87 - HB2 GLU 142 lone 6 96 - 6 - 10507/1.8=2 HA ASP 16 - HB2 GLU 142 lone 2 77 - 2 - Peak 10379 from aliabs.peaks (4.63, 4.25, 56.56 ppm; 4.75 A): 0 out of 4 assignments used, low quality = 0.41: HA PRO 129 - HA GLU 142 OK 25 99 - 25 - 2.3/4834=4, 11001/4.0=4...(8) HA ARG 124 - HA GLU 142 OK 22 100 - 22 - 11001/4.0=4, 3.0/4833=4...(10) HA GLN 62 - HA GLU 142 lone 8 81 - 10 - 10508/4.0=3, 10507/3.0=3 HA LEU 87 - HA GLU 142 lone 4 85 - 4 - Peak 10380 from aliabs.peaks (4.65, 2.10, 29.77 ppm; 4.60 A): 3 out of 5 assignments used, quality = 0.73: HA ASN 139 + HB3 GLU 142 OK 56 98 - 57 - 10359/3.0=29, 10358=24...(4) HA ASP 32 + HB3 GLU 142 OK 28 89 - 32 - 3.0/4851=7, 10378/1.8=6...(10) HA GLN 111 + HB3 GLU 142 OK 14 94 - 14 - 2.9/4847=2, 3606/1.8=2...(6) HA GLN 62 - HB3 GLU 142 lone 5 62 - 8 - 10378/1.8=2 HA ASP 16 - HB3 GLU 142 lone 2 100 - 2 - Peak 10381 from aliabs.peaks (3.93, 4.37, 55.57 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.74: HA2 GLY 143 + HA ARG 144 OK 74 94 - 79 - 3.5/4874=32...(10) HD2 PRO 129 - HA ARG 144 lone 8 94 - 8 - 7875/3.0=3, ~7875=3 HA TYR 112 - HA ARG 144 lone 3 100 - 3 - 4.9/10384=2 Peak 10382 from aliabs.peaks (4.14, 4.37, 55.57 ppm; 3.97 A): 1 out of 3 assignments used, quality = 0.47: HA ARG 145 + HA ARG 144 OK 47 77 - 60 - 3.0/7887=33, ~7886=10...(7) HA GLU 131 - HA ARG 144 lone 1 94 - 1 - HA LEU 126 - HA ARG 144 lone 1 77 - 2 - Peak 10383 from aliabs.peaks (4.26, 3.92, 45.14 ppm; 4.49 A): 3 out of 7 assignments used, quality = 0.83: HA GLU 142 + HA2 GLY 143 OK 68 92 - 74 - 7865/3.0=29, 9754/1.8=24...(10) HA ARG 49 + HA2 GLY 143 OK 37 81 - 46 - 9754/1.8=22, 8198=9...(7) HA2 GLY 50 + HA2 GLY 143 OK 16 100 - 16 - 3.6/8207=10, 9754/1.8=4 HB THR 92 - HA2 GLY 143 poor 10 96 - 10 - 7865/3.0=3, 9754/1.8=3 HA SER 138 - HA2 GLY 143 lone 4 81 - 4 - 9754/1.8=2 HA ALA 135 - HA2 GLY 143 lone 3 98 - 3 - 9754/1.8=1 HB THR 99 - HA2 GLY 143 lone 3 81 - 3 - Peak 10384 from aliabs.peaks (3.99, 4.37, 55.57 ppm; 4.06 A): 0 out of 6 assignments used, low quality = 0.00: HB2 SER 138 - HA ARG 144 lone 5 92 - 5 - 10347/5.2=2, 10347/5.2=1 HB3 SER 138 - HA ARG 144 lone 5 89 - 5 - 10347/5.2=2, 10347/5.2=1 HA GLU 75 - HA ARG 144 lone 3 92 - 4 - 7876/3.0=1, 8683/6833=1 HB3 SER 127 - HA ARG 144 lone 2 94 - 2 - HA LYS 114 - HA ARG 144 lone 1 81 - 2 - HA MET 113 - HA ARG 144 lone 1 89 - 1 - Peak 10385 from aliabs.peaks (7.12, 1.79, 31.16 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.51: QD PHE 106 + HB3 ARG 145 OK 51 92 - 56 - 10520/2.9=11...(16) HZ PHE 106 - HB3 ARG 145 lone 3 81 - 4 - 5.8/4960=3 QE PHE 45 - HB3 ARG 145 lone 2 96 - 2 - Peak 10386 from aliabs.peaks (4.26, 3.12, 43.40 ppm; 4.44 A): 0 out of 24 assignments used, low quality = 0.20: HA LEU 95 - HD2 ARG 145 OK 11 77 - 14 - 3.6/7132=3, 4.0/9069=1 HA LEU 95 - HD3 ARG 145 OK 11 77 - 14 - 3.6/7132=3, 4.0/9069=1 HA2 GLY 50 - HD2 ARG 145 lone 9 89 - 10 - 1.8/10742=2, ~10742=2...(4) HA2 GLY 50 - HD3 ARG 145 lone 9 88 - 10 - 1.8/10742=2, ~10742=2...(4) HB THR 92 - HD2 ARG 109 poor 8 70 - 11 - 2.1/9011=3, ~11617=2, 9022/3.6=2 HB THR 99 - HD2 ARG 145 lone 7 98 - 7 - HB THR 99 - HD3 ARG 145 lone 7 98 - 7 - HA ARG 49 - HD2 ARG 109 lone 7 92 - 7 - 1242/3.6=3 HA LEU 95 - HD2 ARG 109 lone 7 70 - 9 - 3.6/7132=2, 9061/10035=1...(4) HB THR 92 - HD3 ARG 145 lone 4 77 - 5 - ~9011=1 HB THR 92 - HD2 ARG 145 lone 4 77 - 5 - ~9011=1, 2.1/9011=1 HA ALA 135 - HD2 ARG 109 lone 3 96 - 3 - 10014/10007=1 HA2 GLY 50 - HD2 ARG 109 lone 3 82 - 4 - HA ARG 49 - HD2 ARG 145 lone 3 98 - 3 - HA ARG 49 - HD3 ARG 145 lone 3 98 - 3 - HB THR 99 - HD2 ARG 109 lone 2 92 - 3 - HA SER 138 - HD2 ARG 109 lone 2 92 - 2 - HA SER 138 - HD3 ARG 145 lone 2 98 - 2 - HA SER 138 - HD2 ARG 145 lone 2 98 - 2 - HA ALA 135 - HD3 ARG 145 lone 2 100 - 2 - HA ALA 135 - HD2 ARG 145 lone 2 100 - 2 - HA GLU 142 - HD2 ARG 145 lone 2 68 - 2 - HA GLU 142 - HD3 ARG 145 lone 2 67 - 2 - HA GLU 142 - HD2 ARG 109 lone 1 61 - 2 - Peak 10387 from aliabs.peaks (4.32, 4.13, 57.32 ppm; 3.86 A): 0 out of 3 assignments used, low quality = 0.13: HA SER 100 - HA ARG 145 OK 13 62 - 21 - 3.6/10175=20 HA ARG 89 - HA ARG 145 lone 3 62 - 4 - 3.8/4939=1 HA THR 18 - HA ARG 145 lone 1 100 - 1 - Peak 10388 from aliabs.peaks (3.21, 4.13, 57.32 ppm; 4.37 A): 6 out of 10 assignments used, quality = 0.70: HD2 ARG 55 + HA ARG 145 OK 24 99 - 24 - 7892/3.0=4, ~7892=3...(10) HG3 MET 46 + HA ARG 145 OK 23 89 - 26 - 4.1/10389=19...(3) HD3 ARG 55 + HA ARG 145 OK 20 89 - 23 - 7893/3.0=4, ~7892=3...(10) HA VAL 73 + HA ARG 145 OK 17 98 - 17 - 3.0/4937=4, 2157/3.0=3...(6) HD3 ARG 141 + HA ARG 145 OK 12 100 - 12 - ~7890=2, ~4909=2...(5) HD2 ARG 141 + HA ARG 145 OK 12 100 - 12 - ~7890=2, ~4909=2...(5) HD2 ARG 140 - HA ARG 145 poor 9 81 - 11 - 6403/10679=2...(3) HD3 ARG 140 - HA ARG 145 poor 9 81 - 11 - 6403/10679=2, 2.9/4939=1 HB3 TYR 117 - HA ARG 145 lone 2 85 - 2 - HA LEU 39 - HA ARG 145 lone 2 96 - 2 - Peak 10389 from aliabs.peaks (3.91, 4.13, 57.32 ppm; 4.27 A): 0 out of 4 assignments used, low quality = 0.31: HA MET 46 - HA ARG 145 OK 31 100 - 31 - 3.6/10679=25, 4.1/10523=4 HA2 GLY 143 - HA ARG 145 lone 6 72 - 9 - 10517/10516=7 HD3 PRO 98 - HA ARG 145 lone 2 62 - 4 - 6399/10679=3 HD2 PRO 129 - HA ARG 145 lone 1 72 - 2 - Peak 10390 from aliabs.peaks (3.72, 4.13, 57.32 ppm; 4.66 A): 0 out of 4 assignments used, low quality = 0.00: HA ILE 91 - HA ARG 145 lone 7 96 - 7 - 8963/3.0=2, ~10083=2 HA ILE 136 - HA ARG 145 lone 5 81 - 7 - 3.7/4939=2, ~10457=1 HB THR 74 - HA ARG 145 lone 1 99 - 1 - HA THR 107 - HA ARG 145 lone 1 94 - 1 - Peak 10394 from aliabs.peaks (1.33, 2.35, 32.00 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.94: QB ALA 60 + HB2 PRO 98 OK 91 99 - 92 - 8313/3.0=40, 8311/2.3=38...(16) HG12 ILE 83 + HB2 PRO 98 OK 38 72 - 52 - 9146/3.0=13, ~9142=12...(10) HG2 LYS 85 - HB2 PRO 98 OK 29 100 - 29 - 9144/2.3=12, 9145/3.0=10...(4) Peak 10397 from aliabs.peaks (2.04, 4.21, 60.96 ppm; 4.60 A): 5 out of 10 assignments used, quality = 0.91: HG2 PRO 98 + HA ILE 101 OK 71 99 - 72 - 10535/3.2=17...(11) HB3 LYS 34 + HA ILE 101 OK 45 85 - 53 - 9180/4.1=13...(13) HB2 PRO 33 + HA ILE 101 OK 29 100 - 29 - 10534/3.0=6, 10180/3.8=6...(8) HB2 PRO 52 + HA PHE 45 OK 12 61 - 19 - ~1363=4, ~1347=3...(8) HG2 PRO 98 + HA PHE 45 OK 11 89 - 12 - 3280/4.8=5, 10533/3320=1...(4) HB2 GLU 37 - HA ILE 101 poor 10 62 - 16 - 9180/4.1=4, ~9186=3...(6) HB2 GLU 37 - HA PHE 45 poor 8 52 - 16 - 4.0/1015=5, ~749=3...(8) HB2 PRO 52 - HA ILE 101 poor 8 72 - 11 - ~10152=2, 10533/3.0=2...(4) HB3 LYS 34 - HA PHE 45 lone 4 73 - 5 - HB2 PRO 33 - HA PHE 45 lone 3 91 - 3 - Peak 10398 from aliabs.peaks (3.11, 1.19, 41.53 ppm; 5.15 A): 5 out of 7 assignments used, quality = 0.93: HA ALA 105 + HB3 LEU 108 OK 84 99 - 85 - 3414=36, 9219/3.2=24...(10) HD2 ARG 109 + HB3 LEU 108 OK 37 99 - 37 - 5.7/7287=18, 9260/3.2=8...(5) HA TYR 119 + HB3 LEU 108 OK 11 99 - 11 - 9263/3.2=3...(3) HD2 ARG 145 + HB3 LEU 108 OK 11 94 - 12 - 7280/4.4=6, ~10399=3 HD3 ARG 145 + HB3 LEU 108 OK 10 92 - 11 - 7280/4.4=5, ~10399=3 HB3 ASN 96 - HB3 LEU 108 poor 10 92 - 11 - 9260/3.2=4, 9263/3.2=3...(4) HB3 PHE 106 - HB3 LEU 108 poor 7 68 - 10 - 7296/4.4=4, ~11130=3 Peak 10399 from aliabs.peaks (3.12, 0.93, 41.53 ppm; 6.80 A): 6 out of 6 assignments used, quality = 0.76: HD2 ARG 109 + HB2 LEU 108 OK 33 89 - 37 - 5.7/7286=21, ~9275=8...(4) HA VAL 80 + HB2 LEU 108 OK 22 85 - 26 - 10545/1.8=9, 2410/4.4=7...(4) HB3 PHE 106 + HB2 LEU 108 OK 19 100 - 19 - ~11130=6, 7296/4.4=5...(4) HD3 ARG 145 + HB2 LEU 108 OK 19 98 - 19 - 7296/4.4=7, 10545/1.8=4...(4) HD2 ARG 145 + HB2 LEU 108 OK 18 96 - 19 - 7296/4.4=7, 10545/1.8=4...(4) HB3 ASN 96 + HB2 LEU 108 OK 13 98 - 14 - 9260/3.2=2, 3.5/9094=2...(6) Peak 10400 from aliabs.peaks (4.23, 2.01, 17.26 ppm; 5.06 A): 0 out of 6 assignments used, low quality = 0.28: HB THR 102 - QE MET 59 OK 19 99 - 19 - 2.1/10405=7...(5) HA ARG 141 - QE MET 59 OK 11 89 - 13 - 9122/10107=3...(6) HA THR 102 - QE MET 59 poor 9 68 - 13 - 3.2/10405=7...(3) HA LYS 93 - QE MET 59 lone 7 96 - 8 - 10090/10097=2...(3) HA PHE 45 - QE MET 59 lone 6 81 - 7 - ~10716=2, 1019/10570=1 HA LYS 85 - QE MET 59 lone 5 100 - 5 - 8860/10408=1 Peak 10401 from aliabs.peaks (4.02, 2.01, 17.26 ppm; 3.46 A): 3 out of 9 assignments used, quality = 0.61: HB THR 107 + QE MET 59 OK 35 81 - 43 - 2.1/10567=15, 10563=9...(11) HA VAL 63 + QE MET 59 OK 31 98 - 32 - 1789=6, 11450/6.2=5...(8) HA LEU 69 + QE MET 59 OK 13 89 - 15 - 3.0/1635=3, 4062=2...(4) HB3 SER 100 - QE MET 59 poor 10 98 - 10 - 1.8/10564=3, 10563=2 HA LYS 123 - QE MET 59 poor 9 72 - 13 - 10563=3, 4.7/10567=2, 6.2/9468=1 HA GLU 37 - QE MET 59 lone 7 89 - 8 - 10563=2 HA GLU 122 - QE MET 59 lone 5 98 - 6 - 4062=1 HB2 SER 103 - QE MET 59 lone 4 98 - 4 - HA GLU 81 - QE MET 59 lone 3 77 - 3 - Peak 10402 from aliabs.peaks (3.85, 2.01, 17.26 ppm; 3.55 A): 3 out of 7 assignments used, quality = 0.46: HA ALA 104 + QE MET 59 OK 28 92 - 31 - 2.1/9200=11, 10155=10...(6) HA LEU 72 + QE MET 59 OK 13 77 - 17 - 3.0/10406=4, 10564=4...(4) HA MET 68 + QE MET 59 OK 13 96 - 14 - 10564=5, 4.9/10401=2, 4.6/1635=1 HD2 PRO 118 - QE MET 59 lone 9 100 - 9 - 10564=3, 3.0/1635=1 HA GLN 133 - QE MET 59 poor 8 77 - 10 - 10564=3 HB2 SER 127 - QE MET 59 lone 3 85 - 4 - HA LYS 36 - QE MET 59 lone 3 96 - 3 - Peak 10403 from aliabs.peaks (3.73, 2.01, 17.26 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.73: HA LEU 108 + QE MET 59 OK 67 94 - 71 - 4.0/10408=33...(12) HA ILE 91 + QE MET 59 OK 16 62 - 26 - 3.0/1638=4, 4.2/8982=3...(9) HB THR 74 - QE MET 59 lone 7 72 - 9 - 4.0/11287=1...(3) HA2 GLY 15 - QE MET 59 lone 2 68 - 4 - Peak 10404 from aliabs.peaks (1.61, 2.01, 17.26 ppm; 3.44 A): 5 out of 11 assignments used, quality = 0.92: HG LEU 108 + QE MET 59 OK 69 100 - 69 - 2.1/10408=36...(12) HB2 LEU 97 + QE MET 59 OK 59 99 - 60 - 1.8/10405=20...(16) HG3 LYS 48 + QE MET 59 OK 17 98 - 18 - 9823/3.4=4, 9823/3.4=4...(4) HB2 LEU 87 + QE MET 59 OK 13 81 - 16 - 3.0/10566=5, 1.8/10567=3 HG3 ARG 49 + QE MET 59 OK 12 98 - 12 - 10565=2, 3498/10408=2, ~10576=1 HG2 ARG 141 - QE MET 59 lone 8 100 - 8 - 3.8/10400=3...(3) HB2 LEU 79 - QE MET 59 lone 5 68 - 8 - 3.0/10566=2, 3.1/10409=2 HG2 ARG 144 - QE MET 59 lone 5 94 - 5 - HG3 ARG 144 - QE MET 59 lone 5 94 - 5 - HD2 LYS 61 - QE MET 59 lone 3 72 - 4 - HD3 LYS 61 - QE MET 59 lone 3 68 - 4 - Peak 10405 from aliabs.peaks (1.28, 2.01, 17.26 ppm; 3.01 A): 0 out of 5 assignments used, low quality = 0.36: HB3 LEU 97 - QE MET 59 OK 27 72 - 37 - 3.1/10107=10...(9) QG2 THR 99 - QE MET 59 OK 13 89 - 14 - 9153=6, 9152/4.2=1 QG2 THR 102 - QE MET 59 lone 8 92 - 8 - 2.1/10400=4, 3.2/10400=1 HB2 LEU 132 - QE MET 59 lone 6 77 - 7 - 1.8/1635=2, 3.2/9577=2 HG3 LYS 61 - QE MET 59 lone 2 62 - 3 - Peak 10406 from aliabs.peaks (1.19, 2.01, 17.26 ppm; 3.29 A): 5 out of 7 assignments used, quality = 0.75: HB3 LEU 108 + QE MET 59 OK 53 100 - 53 - 3.2/10408=25...(7) HB2 LEU 72 + QE MET 59 OK 16 92 - 18 - 3.0/10402=4, 3.0/1636=4...(4) HG12 ILE 56 + QE MET 59 OK 15 100 - 15 - 2.1/10409=5, 3.2/10407=3...(4) QD1 LEU 69 + QE MET 59 OK 14 85 - 17 - 8473/10408=4, 3.2/1635=2...(5) HG13 ILE 56 + QE MET 59 OK 13 85 - 15 - 2.1/10409=5, 3.2/10407=3...(4) QD1 LEU 26 - QE MET 59 lone 7 94 - 8 - 2.1/10583=1, 3504/10408=1 QG2 THR 18 - QE MET 59 lone 7 96 - 7 - 10864=3 Peak 10407 from aliabs.peaks (0.88, 2.01, 17.26 ppm; 2.73 A): 6 out of 7 assignments used, quality = 0.77: QG2 ILE 101 + QE MET 59 OK 28 81 - 34 - 10568=6, 2.1/1635=6...(8) QD1 LEU 97 + QE MET 59 OK 27 68 - 40 - 2.1/10107=10...(9) QD1 ILE 101 + QE MET 59 OK 24 72 - 33 - 10568=5, 2.1/10567=5...(11) QD1 LEU 64 + QE MET 59 OK 23 72 - 32 - 2.1/10409=6, 10568=5...(13) QG2 ILE 56 + QE MET 59 OK 16 89 - 18 - 3.1/10409=3, 10568=2...(6) QG2 ILE 136 + QE MET 59 OK 11 72 - 16 - 10568=3, 2.1/1635=3, 3.0/10466=3 HB3 LEU 42 - QE MET 59 lone 4 77 - 5 - 10568=1 Peak 10408 from aliabs.peaks (0.74, 2.01, 17.26 ppm; 3.16 A): 0 out of 1 assignment used, low quality = 0.35: QD2 LEU 108 - QE MET 59 OK 35 68 - 52 - 2.1/10569=12...(11) Peak 10409 from aliabs.peaks (0.65, 2.01, 17.26 ppm; 4.30 A): 4 out of 4 assignments used, quality = 0.80: QD2 LEU 64 + QE MET 59 OK 57 98 - 58 - 2.1/10407=9, 8374/3.4=8...(15) QD1 ILE 56 + QE MET 59 OK 32 100 - 32 - 2.1/10406=6, 3.1/10407=5...(8) QD1 LEU 126 + QE MET 59 OK 22 100 - 22 - 11022/6.2=10...(5) QD2 LEU 79 + QE MET 59 OK 13 77 - 17 - 2.1/10566=4, 8735=1...(4) Peak 10410 from aliabs.peaks (0.88, 2.40, 32.36 ppm; 3.23 A): 6 out of 16 assignments used, quality = 0.94: QD1 LEU 64 + HG2 MET 59 OK 41 77 - 53 - 8378=8, 8299/3.0=8...(18) QD1 LEU 64 + HG3 MET 59 OK 39 73 - 54 - 8378=8, 8299/3.0=8...(18) QG2 ILE 101 + HG2 MET 59 OK 39 77 - 51 - 3.1/9181=8, 10407/3.4=5...(21) QG2 ILE 101 + HG3 MET 59 OK 36 73 - 50 - 3.1/9181=7, 10407/3.4=5...(21) QD1 ILE 101 + HG2 MET 59 OK 35 68 - 52 - 9181=7, 9181/1.8=6...(25) QD1 ILE 101 + HG3 MET 59 OK 32 63 - 51 - 9181=7, 9181/1.8=6...(25) QD1 LEU 97 - HG2 MET 59 OK 29 62 - 47 - 2.1/9127=8, 10407/3.4=5...(19) QD1 LEU 97 - HG3 MET 59 OK 29 59 - 49 - ~9127=10, 9128/1.8=5...(19) QG2 ILE 83 - HG2 MET 59 OK 28 62 - 45 - 8299/3.0=6, 3.2/10413=6...(18) QG2 ILE 83 - HG3 MET 59 OK 26 59 - 45 - 8299/3.0=6, 3.2/10413=6...(18) QG2 ILE 56 - HG2 MET 59 OK 16 85 - 19 - 10407/3.4=3, 8299/3.0=3...(9) QG2 ILE 56 - HG3 MET 59 OK 15 81 - 18 - 10407/3.4=3, 8299/3.0=3...(9) QG2 ILE 136 - HG2 MET 59 OK 13 68 - 19 - 10407/3.4=2, 10574=2...(6) QG2 ILE 136 - HG3 MET 59 OK 12 63 - 19 - 10407/3.4=2, 10574=1...(6) HB3 LEU 42 - HG2 MET 59 lone 7 81 - 8 - 8301/3.7=1, 3.2/8147=1 HB3 LEU 42 - HG3 MET 59 lone 6 77 - 8 - 8301/3.7=1, 3.2/8147=1 Peak 10411 from aliabs.peaks (1.34, 4.57, 54.70 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.69: QB ALA 60 + HA MET 59 OK 63 100 - 63 - 2.1/8309=23, 3.7/8314=12...(12) HG2 LYS 85 + HA MET 59 OK 16 100 - 16 - ~6537=4, 10416/8293=4...(6) Peak 10412 from aliabs.peaks (1.23, 2.40, 32.36 ppm; 3.97 A): 4 out of 10 assignments used, quality = 0.94: HG12 ILE 101 + HG2 MET 59 OK 63 99 - 64 - 2.1/9181=14, ~9181=9...(23) HG12 ILE 101 + HG3 MET 59 OK 61 96 - 64 - 2.1/9181=13, ~9181=10...(23) QG2 THR 107 + HG2 MET 59 OK 34 77 - 45 - 10567/3.4=10, 9253=9...(10) QG2 THR 107 + HG3 MET 59 OK 32 73 - 44 - 10567/3.4=10, 9253/1.8=9...(10) HB3 LEU 87 - HG2 MET 59 OK 17 92 - 18 - 10567/3.4=2, ~10566=2...(9) HD3 LYS 123 - HG2 MET 59 OK 17 100 - 17 - 10567/3.4=4, 10575=2...(6) HD3 LYS 123 - HG3 MET 59 OK 16 98 - 17 - 10567/3.4=4, ~9468=2...(6) HB3 LEU 87 - HG3 MET 59 OK 16 88 - 18 - 10567/3.4=2, ~10566=2...(8) HG12 ILE 58 - HG2 MET 59 OK 12 72 - 17 - 9865/3.7=5, 6539/4.7=3...(5) HG12 ILE 58 - HG3 MET 59 OK 11 68 - 17 - 9865/3.7=5, 6539/4.7=3...(5) Peak 10413 from aliabs.peaks (1.33, 2.40, 32.36 ppm; 3.99 A): 4 out of 6 assignments used, quality = 0.83: HG12 ILE 83 + HG2 MET 59 OK 49 89 - 55 - 10566/3.4=7, 1.8/1619=4...(28) HG12 ILE 83 + HG3 MET 59 OK 45 85 - 54 - 10566/3.4=7, 1.8/1627=4...(27) QB ALA 60 + HG2 MET 59 OK 23 92 - 26 - 10411/3.7=11, 10576=5...(5) QB ALA 60 + HG3 MET 59 OK 21 88 - 24 - 10411/3.7=11...(4) HG2 LYS 85 - HG2 MET 59 lone 5 99 - 5 - 10411/3.7=3, 10177/9181=1 HG2 LYS 85 - HG3 MET 59 lone 5 96 - 5 - 10411/3.7=3, 10177/9181=1 Peak 10414 from aliabs.peaks (0.77, 2.40, 32.36 ppm; 4.75 A): 6 out of 10 assignments used, quality = 1.00: QD1 LEU 108 + HG2 MET 59 OK 74 100 - 74 - ~10408=26, 10569/3.4=15...(17) QD1 LEU 108 + HG3 MET 59 OK 72 98 - 74 - ~10408=26, 10569/3.4=15...(17) QD2 LEU 108 + HG2 MET 59 OK 61 92 - 67 - 10569/3.4=19, ~10569=12...(15) QD2 LEU 108 + HG3 MET 59 OK 59 88 - 67 - 10569/3.4=19, ~10569=12...(15) QD1 LEU 72 + HG2 MET 59 OK 50 100 - 50 - ~1604=4, 9943/3.0=4...(21) QD1 LEU 72 + HG3 MET 59 OK 48 97 - 50 - ~1604=4, 9943/3.0=4...(22) QD1 ILE 136 - HG2 MET 59 OK 36 89 - 41 - 10466/3.4=5, 11135/3.0=3...(19) QD1 ILE 136 - HG3 MET 59 OK 34 85 - 41 - 10466/3.4=5, 11135/3.0=3...(20) QG2 VAL 73 - HG2 MET 59 OK 10 96 - 11 - 8593/2988=2, 11036/10007=2 QG2 VAL 73 - HG3 MET 59 poor 10 93 - 11 - 8593/2988=2, 11036/10007=2 Peak 10415 from aliabs.peaks (0.64, 2.40, 32.36 ppm; 5.08 A): 8 out of 8 assignments used, quality = 0.94: QD2 LEU 64 + HG2 MET 59 OK 53 62 - 85 - 2.1/8378=15, ~8299=12...(26) QD2 LEU 64 + HG3 MET 59 OK 50 59 - 86 - 2.1/8378=14, ~8378=14...(26) QD1 ILE 56 + HG2 MET 59 OK 30 85 - 34 - 10409/3.4=7, ~8299=4...(12) QD1 ILE 56 + HG3 MET 59 OK 28 81 - 34 - 10409/3.4=7, ~8299=4...(12) QD1 LEU 126 + HG2 MET 59 OK 16 89 - 18 - 11022/4.7=9, 10409/3.4=5 QD2 LEU 79 + HG2 MET 59 OK 15 100 - 15 - 10409/3.4=3, ~10566=2...(6) QD1 LEU 126 + HG3 MET 59 OK 15 85 - 17 - 11022/4.7=9, 10409/3.4=5 QD2 LEU 79 + HG3 MET 59 OK 14 98 - 15 - 10409/3.4=3, ~10566=2...(6) Peak 10416 from aliabs.peaks (1.34, 0.57, 16.74 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.70: QB ALA 60 + QG2 ILE 58 OK 59 96 - 62 - 3.7/8295=18...(11) HG2 LYS 85 + QG2 ILE 58 OK 26 85 - 30 - 8271/2.1=6, 3.0/1563=5...(11) HD3 LYS 76 - QG2 ILE 58 lone 5 62 - 8 - 10417/3.1=4, 10418/3.2=2 Peak 10417 from aliabs.peaks (1.35, 0.54, 10.83 ppm; 3.71 A): 3 out of 3 assignments used, quality = 0.58: QB ALA 60 + QD1 ILE 58 OK 40 77 - 52 - 10416/3.1=18...(8) HB3 ARG 49 + QD1 ILE 58 OK 20 72 - 28 - 10418/4.1=10...(7) HD3 LYS 76 + QD1 ILE 58 OK 12 89 - 13 - 8665/10950=7...(3) Peak 10418 from aliabs.peaks (1.35, 4.43, 57.91 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.46: HB3 ARG 49 + HA ILE 58 OK 39 89 - 44 - 10417/4.1=11, 1.8/1547=6...(15) HD3 LYS 76 + HA ILE 58 OK 12 98 - 12 - 10417/4.1=6, 10416/3.2=2 Peak 10419 from aliabs.peaks (2.21, 0.54, 10.83 ppm; 5.73 A): 3 out of 4 assignments used, quality = 0.97: HG2 GLU 75 + QD1 ILE 58 OK 89 100 - 90 - 8632/3.1=49, ~8643=36...(14) HB3 PRO 57 + QD1 ILE 58 OK 52 68 - 77 - 2.3/10594=45, ~10427=28...(9) HB2 MET 46 + QD1 ILE 58 OK 41 77 - 54 - 4.0/10714=23...(7) HB2 MET 113 - QD1 ILE 58 poor 9 68 - 13 - 4.2/9815=3, 9873/8350=2 Peak 10420 from aliabs.peaks (3.73, 1.24, 26.45 ppm; 5.78 A): 4 out of 6 assignments used, quality = 0.89: HA2 GLY 15 + HG12 ILE 58 OK 68 77 - 88 - 8285/2.1=24, ~8026=22...(14) HA2 GLY 15 + HG13 ILE 58 OK 53 61 - 88 - 8285/2.1=24, ~8026=22...(14) HA LEU 108 + HG12 ILE 58 OK 15 98 - 15 - 8285/2.1=5, 3.8/10231=4...(4) HA LEU 108 + HG13 ILE 58 OK 12 82 - 15 - 8285/2.1=5, 3.8/10231=4...(4) HB THR 74 - HG12 ILE 58 lone 1 62 - 2 - HB THR 74 - HG13 ILE 58 lone 1 48 - 2 - Peak 10421 from aliabs.peaks (7.18, 1.66, 31.82 ppm; 5.12 A): 4 out of 6 assignments used, quality = 0.94: QE TYR 115 + HB2 PRO 57 OK 88 100 - 88 - 10589/1.8=39, 10585=36...(17) QD TYR 27 + HB VAL 71 OK 24 61 - 40 - ~4812=10, 4551/3.0=6...(9) QE TYR 115 + HB VAL 71 OK 22 72 - 31 - 4723/2.1=8, ~4729=7...(9) H LYS 36 + HB2 PRO 57 OK 19 81 - 24 - 10787/2.3=6, 10986/2.3=5...(6) QD TYR 27 - HB2 PRO 57 lone 9 92 - 9 - 10986/2.3=2, 10422/1.8=1 H LYS 36 - HB VAL 71 lone 5 52 - 10 - ~8508=3, 9884/10593=1 Peak 10422 from aliabs.peaks (7.17, 2.19, 31.82 ppm; 5.19 A): 3 out of 6 assignments used, quality = 0.94: QE TYR 115 + HB3 PRO 57 OK 83 99 - 84 - 10585/1.8=30...(17) QE TYR 115 + HB2 MET 46 OK 64 96 - 66 - 8171/4.2=34...(17) H LYS 36 + HB3 PRO 57 OK 11 62 - 18 - 10421/1.8=5, 10787/2.3=4...(5) QD TYR 27 - HB3 PRO 57 lone 6 77 - 8 - 10421/1.8=2, 10986/2.3=2 QD TYR 27 - HB2 MET 46 lone 5 73 - 7 - 10682/3.0=3, 8172/3.0=2 H LYS 36 - HB2 MET 46 lone 5 59 - 9 - 4.6/10704=2, 10788/4.2=2 Peak 10423 from aliabs.peaks (0.61, 1.80, 27.60 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.64: QD1 LEU 66 + HG2 PRO 57 OK 46 85 - 54 - 8521/2.3=13, 10592=12...(10) QD1 LEU 132 + HG2 PRO 57 OK 34 85 - 40 - 10592=6, 10422/2.3=6...(12) Peak 10424 from aliabs.peaks (0.66, 1.67, 31.76 ppm; 3.79 A): 4 out of 8 assignments used, quality = 0.87: QD2 LEU 64 + HB2 PRO 57 OK 46 58 - 79 - 8267/2.3=29...(18) HB3 LEU 116 + HB VAL 71 OK 44 85 - 51 - ~11092=14, ~10698=12...(9) QD2 LEU 64 + HB VAL 71 OK 38 89 - 43 - 10593=26, ~8518=7...(6) QD1 ILE 56 + HB2 PRO 57 OK 31 41 - 75 - 8268/2.3=19, 8265/1.8=19...(25) QD1 ILE 56 - HB VAL 71 poor 7 68 - 11 - 10597=2 QD1 LEU 126 - HB VAL 71 lone 6 62 - 10 - 10593=3, ~10999=1...(4) QD1 LEU 126 - HB2 PRO 57 poor 5 38 - 13 - 8267/2.3=4, 4749/10585=3...(4) HB3 LEU 116 - HB2 PRO 57 lone 3 55 - 5 - Peak 10425 from aliabs.peaks (0.90, 4.42, 62.46 ppm; 5.47 A): 3 out of 6 assignments used, quality = 0.97: QG2 ILE 56 + HA PRO 57 OK 76 96 - 79 - 8251/3.6=22, 8251/3.6=22...(13) QG2 ILE 136 + HA PRO 57 OK 70 100 - 70 - 8263/2.3=19, ~9672=11...(18) QG2 ILE 101 + HA PRO 57 OK 53 99 - 54 - 8263/2.3=10...(14) QD1 ILE 101 - HA PRO 57 OK 39 100 - 39 - 8263/2.3=9, ~8263=6...(11) QG2 VAL 80 - HA PRO 57 OK 17 85 - 20 - 8762/4.8=5, 8263/2.3=3...(5) QD1 LEU 97 - HA PRO 57 OK 16 100 - 16 - 1446/4.8=4, 8263/2.3=3...(5) Peak 10426 from aliabs.peaks (0.63, 4.42, 62.46 ppm; 4.76 A): 0 out of 1 assignment used, low quality = 0.24: QD2 LEU 79 - HA PRO 57 OK 24 98 - 24 - 8268/3.8=11, 8265/2.3=10...(5) Peak 10427 from aliabs.peaks (0.57, 4.42, 62.46 ppm; 5.13 A): 0 out of 1 assignment used, low quality = 0.23: QG2 ILE 58 - HA PRO 57 OK 23 100 - 24 - 8349/8363=8, ~10419=5...(5) Peak 10428 from aliabs.peaks (1.09, 0.65, 10.93 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.74: QD2 LEU 26 + QD1 ILE 56 OK 74 92 - 81 - 10595=45, 5.0/10868=14...(22) Peak 10429 from aliabs.peaks (4.02, 0.89, 17.29 ppm; 3.44 A): 8 out of 18 assignments used, quality = 0.87: HB THR 107 + QG2 ILE 101 OK 40 94 - 42 - 2.1/9245=8, 9243=5...(15) HA VAL 63 + QG2 ILE 56 OK 30 100 - 30 - 10608=13, 11202/3.1=5...(8) HB3 SER 100 + QG2 ILE 101 OK 25 83 - 31 - 4.5/3336=11, 1.8/9169=5...(9) HA LYS 123 + QG2 ILE 101 OK 20 89 - 22 - 4101/3.2=4, ~10174=3...(8) HB THR 107 + QG2 ILE 56 OK 17 96 - 18 - 2.1/9245=4, 9243=3...(5) HB2 SER 103 + QG2 ILE 56 OK 14 85 - 17 - 10153/2.1=6, 4.6/10604=5...(4) HA VAL 63 + QG2 ILE 101 OK 14 99 - 14 - 8284/10135=3, 11447/8270=2 HA LEU 69 + QG2 ILE 101 OK 14 65 - 21 - 4.9/8436=3, 9179/3.1=3...(6) HA GLU 37 - QG2 ILE 101 lone 10 97 - 10 - 3.8/9186=4, ~9180=1, ~9180=1 HB2 SER 103 - QG2 ILE 101 poor 9 83 - 11 - ~10152=2, 10154/2.1=2...(4) HB3 SER 100 - QG2 ILE 56 lone 8 85 - 10 - 3.0/1458=2, 3316/3.2=1...(4) HA LEU 69 - QG2 ILE 56 poor 8 68 - 12 - 4.9/1458=3, 4.9/8436=1 HA GLU 81 - QG2 ILE 101 lone 6 92 - 6 - HA GLU 122 - QG2 ILE 101 lone 5 83 - 6 - 9179/3.1=1 HA GLU 37 - QG2 ILE 56 lone 4 99 - 4 - HA LYS 123 - QG2 ILE 56 lone 4 92 - 4 - HA GLU 122 - QG2 ILE 56 lone 4 85 - 5 - HA GLU 81 - QG2 ILE 56 lone 3 94 - 3 - Peak 10430 from aliabs.peaks (6.95, 0.89, 17.29 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.59: QD PHE 23 + QG2 ILE 56 OK 52 94 - 55 - 10605=31, 11193/3.1=10...(7) QD PHE 23 + QG2 ILE 101 OK 15 92 - 17 - 4797/10135=6, 3.8/4807=6 HD2 HIS 10 - QG2 ILE 101 lone 4 89 - 5 - 8098/10128=1 HD2 HIS 10 - QG2 ILE 56 lone 4 92 - 4 - Peak 10431 from aliabs.peaks (7.18, 0.89, 17.29 ppm; 5.18 A): 4 out of 6 assignments used, quality = 0.76: QE TYR 115 + QG2 ILE 56 OK 51 92 - 55 - 9346/4.2=15, 9346/4.2=15...(13) QE TYR 115 + QG2 ILE 101 OK 39 89 - 44 - 4722=9, 4722/3.1=8...(11) H LYS 36 + QG2 ILE 56 OK 12 100 - 12 - 10776/10606=2...(3) QD TYR 27 + QG2 ILE 56 OK 10 100 - 10 - ~4812=5, 2.2/10606=1 H LYS 36 - QG2 ILE 101 lone 9 98 - 9 - 11341/3338=1 QD TYR 27 - QG2 ILE 101 lone 5 99 - 5 - 11170/3341=1 Peak 10432 from aliabs.peaks (2.74, 4.82, 53.04 ppm; 4.87 A): 3 out of 8 assignments used, quality = 0.94: * HB2 ASN 54 + HA ASN 54 OK 87 87 - 100 - 3.0=100 HB3 ASP 40 + HA ASN 54 OK 49 72 - 69 - 10622=10, 1.8/10623=9...(24) HG3 MET 113 + HA ASN 54 OK 10 84 - 12 - 11656/4.3=2, 10621/3.6=1...(5) HB3 PHE 43 - HA ASN 54 lone 6 87 - 7 - 10621/3.6=1 HB2 ASN 96 - HA ASN 54 lone 3 87 - 4 - HB3 ASP 16 - HA ASN 54 lone 3 87 - 3 - HE2 LYS 76 - HA ASN 54 lone 3 61 - 4 - HB3 ASP 137 - HA ASN 54 lone 1 52 - 2 - Peak 10433 from aliabs.peaks (2.84, 4.82, 53.04 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.87: * HB3 ASN 54 + HA ASN 54 OK 87 87 - 100 - 3.0=100 Peak 10434 from aliabs.peaks (4.82, 4.82, 53.04 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: * HA ASN 54 + HA ASN 54 OK 87 87 - 100 Peak 10435 from aliabs.peaks (3.62, 4.82, 53.04 ppm; 5.20 A): 0 out of 2 assignments used, low quality = 0.00: HA ARG 109 - HA ASN 54 poor 8 64 - 12 - 9267/4.3=7, 1661/10436=3 HA2 GLY 31 - HA ASN 54 lone 1 48 - 1 - Peak 10436 from aliabs.peaks (1.95, 4.82, 53.04 ppm; 5.02 A): 0 out of 6 assignments used, low quality = 0.17: HB2 LYS 61 - HA ASN 54 OK 17 86 - 20 - 3.6/10438=8, 3.6/10438=8 HB2 LYS 34 - HA ASN 54 lone 4 75 - 6 - 11659/4.3=2, ~10446=2 HB3 GLU 122 - HA ASN 54 lone 2 85 - 2 - HB3 MET 11 - HA ASN 54 lone 1 72 - 2 - HB3 PRO 98 - HA ASN 54 lone 1 84 - 2 - HG2 PRO 12 - HA ASN 54 lone 1 78 - 2 - Peak 10437 from aliabs.peaks (1.67, 4.82, 53.04 ppm; 4.75 A): 0 out of 13 assignments used, low quality = 0.00: HB VAL 71 - HA ASN 54 lone 5 86 - 6 - ~8504=5 HG13 ILE 136 - HA ASN 54 lone 5 87 - 5 - ~9670=2, ~9670=1 HB2 LEU 95 - HA ASN 54 lone 1 86 - 2 - HG2 ARG 124 - HA ASN 54 lone 1 56 - 2 - 1.8/10438=1 HG2 ARG 140 - HA ASN 54 lone 1 56 - 2 - ~10447=1 HG2 ARG 89 - HA ASN 54 lone 1 86 - 1 - HD3 LYS 93 - HA ASN 54 lone 1 85 - 1 - HG3 ARG 141 - HA ASN 54 lone 1 48 - 2 - HD2 LYS 48 - HA ASN 54 lone 1 86 - 1 - HB2 ARG 145 - HA ASN 54 lone 1 87 - 1 - HD3 LYS 48 - HA ASN 54 lone 1 82 - 1 - HB2 PRO 57 - HA ASN 54 lone 1 68 - 1 - HB2 MET 68 - HA ASN 54 lone 1 84 - 1 - Peak 10438 from aliabs.peaks (1.59, 4.82, 53.04 ppm; 5.95 A): 0 out of 10 assignments used, low quality = 0.43: HD3 LYS 61 - HA ASN 54 OK 25 87 - 28 - 3.6/10436=25, 1716/10435=2 HD2 LYS 61 - HA ASN 54 OK 24 87 - 28 - 3.6/10436=25, 1716/10435=2 HB2 LEU 79 - HA ASN 54 lone 5 87 - 6 - ~8725=2 HG3 ARG 124 - HA ASN 54 lone 4 61 - 7 - 1.8/10437=3 HB2 LEU 97 - HA ASN 54 lone 3 68 - 4 - 1666/10436=2 HG2 ARG 141 - HA ASN 54 lone 3 64 - 4 - 1.8/10437=2 HB2 LEU 66 - HA ASN 54 lone 2 52 - 3 - 3522/10435=1 HG2 ARG 144 - HA ASN 54 lone 1 78 - 2 - HG3 LYS 36 - HA ASN 54 lone 1 61 - 2 - HG LEU 108 - HA ASN 54 lone 1 61 - 2 - Peak 10439 from aliabs.peaks (4.80, 2.74, 39.16 ppm; 3.72 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HA ASN 54 - HB2 ASN 54 Peak 10440 from aliabs.peaks (4.80, 2.84, 39.16 ppm; 3.65 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HA ASN 54 - HB3 ASN 54 Peak 10441 from aliabs.peaks (2.84, 2.84, 39.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HB3 ASN 54 OK 100 100 - 100 Peak 10442 from aliabs.peaks (2.73, 2.84, 39.16 ppm; 2.76 A): 1 out of 10 assignments used, quality = 0.92: HB2 ASN 54 + HB3 ASN 54 OK 92 92 - 100 - 1.8=100 HG3 MET 113 - HB3 ASN 54 lone 3 77 - 4 - HB3 PHE 43 - HB3 ASN 54 lone 2 89 - 2 - HB3 ASP 16 - HB3 ASN 54 lone 1 94 - 1 - HB2 ASN 84 - HB3 ASN 54 lone 1 77 - 1 - HB2 ASN 96 - HB3 ASN 54 lone 1 92 - 1 - HB3 TYR 70 - HB3 ASN 54 lone 0 92 - 0 - HB3 GLU 120 - HB3 ASN 54 lone 0 81 - 0 - HB3 MET 46 - HB3 ASN 54 lone 0 77 - 0 - HB3 ASP 13 - HB3 ASN 54 lone 0 62 - 0 - Peak 10444 from aliabs.peaks (2.83, 2.74, 39.16 ppm; 2.77 A): 4 out of 10 assignments used, quality = 0.95: HB3 ASN 54 + HB2 ASN 54 OK 85 85 - 100 - 1.8=100 HB2 ASP 40 + HB3 ASP 40 OK 41 41 - 100 - 1.8=100 HB2 ASP 40 + HB2 ASN 54 OK 31 92 - 34 - 11654/3.5=4, 881=4...(17) HB3 ASN 54 + HB3 ASP 40 OK 13 37 - 34 - 871/3.0=3, 6284/3.3=3...(20) HB2 ASN 139 - HB3 ASP 40 poor 10 43 - 23 - ~4698=3, ~4698=3...(12) HE3 LYS 114 - HB3 ASP 40 poor 8 25 - 33 - 6295/4.4=3, 871/3.0=3...(20) HE3 LYS 114 - HB2 ASN 54 lone 3 62 - 4 - HB2 ASN 139 - HB2 ASN 54 lone 2 94 - 2 - HB2 ASN 130 - HB3 ASP 40 lone 1 32 - 4 - HB2 ASN 130 - HB2 ASN 54 lone 1 77 - 1 - Peak 10445 from aliabs.peaks (2.74, 2.74, 39.16 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 54 + HB2 ASN 54 OK 100 100 - 100 HB3 ASP 40 - HB3 ASP 40 OK 39 39 - 100 Peak 10446 from aliabs.peaks (2.02, 2.74, 39.16 ppm; 4.85 A): 2 out of 12 assignments used, quality = 0.48: HB3 GLU 37 + HB3 ASP 40 OK 29 49 - 59 - 3.0/758=14, ~757=12...(9) HB2 GLU 37 + HB3 ASP 40 OK 27 46 - 59 - 3.0/758=14, ~757=12...(9) HB3 GLU 37 - HB2 ASN 54 lone 10 100 - 10 - 3.0/758=4, ~757=2...(4) HB2 GLU 37 - HB2 ASN 54 lone 9 98 - 10 - 3.0/758=4, ~757=2...(4) HB3 LYS 34 - HB2 ASN 54 lone 8 85 - 10 - ~11659=5, ~10436=4 HB2 GLU 90 - HB2 ASN 54 lone 4 99 - 4 - HG3 GLU 122 - HB2 ASN 54 lone 3 92 - 3 - ~10436=1 HB2 GLU 90 - HB3 ASP 40 lone 2 48 - 5 - 10071=1 QE MET 59 - HB2 ASN 54 lone 1 72 - 2 - HG3 GLU 122 - HB3 ASP 40 lone 1 41 - 2 - QE MET 59 - HB3 ASP 40 lone 1 30 - 2 - HB3 LYS 34 - HB3 ASP 40 lone 1 37 - 1 - Peak 10447 from aliabs.peaks (1.92, 2.74, 39.16 ppm; 5.84 A): 7 out of 24 assignments used, quality = 0.86: HB2 LYS 86 + HB2 ASN 54 OK 57 100 - 57 - 2681/3.5=16, ~2692=13...(8) HG13 ILE 83 + HB2 ASN 54 OK 30 99 - 30 - 10020/3.5=23, ~10019=6 HB2 ARG 140 + HB2 ASN 54 OK 17 100 - 17 - ~11658=10, ~10497=2...(4) QE MET 68 + HB3 ASP 40 OK 15 37 - 41 - 8454/3.3=32, 8426/8504=4...(4) HG13 ILE 83 + HB3 ASP 40 OK 15 48 - 30 - ~6282=6, ~9729=4...(9) HB ILE 136 + HB2 ASN 54 OK 14 85 - 16 - ~10437=6, 2.5/9670=3...(5) QE MET 68 + HB2 ASN 54 OK 12 85 - 14 - 8454/10449=6...(3) HB ILE 136 - HB3 ASP 40 poor 10 37 - 27 - ~4600=5, ~6278=5...(9) HB2 ARG 140 - HB3 ASP 40 poor 10 49 - 19 - ~10368=6, ~10497=5...(5) HB2 PRO 118 - HB2 ASN 54 lone 9 98 - 9 - ~11706=5 HG3 PRO 12 - HB2 ASN 54 lone 5 100 - 5 - ~10436=1 HB2 ARG 89 - HB2 ASN 54 lone 5 92 - 5 - ~10069=2, ~10437=1 HB2 LYS 86 - HB3 ASP 40 lone 4 49 - 8 - ~8867=3, 2681/11657=1 HB3 PRO 52 - HB2 ASN 54 lone 4 77 - 5 - 3.9/8244=2, 2.3/10928=1 HB3 LEU 132 - HB2 ASN 54 lone 3 72 - 4 - 3.2/9575=1 HG2 PRO 52 - HB2 ASN 54 lone 2 72 - 3 - 3.8/10928=1 HB2 MET 59 - HB2 ASN 54 lone 2 72 - 3 - HG3 PRO 12 - HB3 ASP 40 lone 2 49 - 3 - HB2 PRO 118 - HB3 ASP 40 lone 1 46 - 3 - HB3 LEU 132 - HB3 ASP 40 lone 1 30 - 5 - ~6279=2 HB2 MET 59 - HB3 ASP 40 lone 1 30 - 5 - ~6280=2 HB2 ARG 89 - HB3 ASP 40 lone 1 41 - 3 - HB3 PRO 52 - HB3 ASP 40 lone 1 32 - 3 - 3.9/8244=1 HG2 PRO 52 - HB3 ASP 40 lone 1 30 - 2 - Peak 10448 from aliabs.peaks (8.61, 2.84, 39.16 ppm; 4.84 A): 0 out of 1 assignment used, low quality = 0.29: H LEU 72 - HB3 ASN 54 OK 29 81 - 35 - 10449/1.8=31, 878=4 Peak 10449 from aliabs.peaks (8.61, 2.74, 39.16 ppm; 4.44 A): 0 out of 2 assignments used, low quality = 0.37: H LEU 72 - HB2 ASN 54 OK 29 68 - 43 - 10448/1.8=34, 4.3/8504=5...(4) H LEU 72 - HB3 ASP 40 OK 12 27 - 43 - 4.3/8504=7, 869/3.0=6...(13) Peak 10450 from aliabs.peaks (7.40, 1.03, 20.95 ppm; 4.40 A): 0 out of 1 assignment used, low quality = 0.35: H LYS 114 - QG2 VAL 53 OK 35 77 - 45 - 4.6/7423=8, 3.0/3735=8...(11) Peak 10451 from aliabs.peaks (1.53, 1.04, 21.00 ppm; 4.37 A): 4 out of 8 assignments used, quality = 0.55: HG2 LYS 93 + QG2 THR 110 OK 23 77 - 29 - 3.0/9289=9, 1.8/9290=9 HG3 LYS 76 + QG2 THR 110 OK 20 98 - 20 - 3.9/9287=6, 3.9/9287=6...(4) HG3 PRO 57 + QG2 THR 110 OK 19 89 - 22 - 2.3/9289=8, 2.3/9291=7...(4) HB2 LEU 29 + QG2 THR 110 OK 11 96 - 11 - 1.8/10638=5, 350/10638=2 QB ALA 135 - QG2 THR 110 lone 6 85 - 7 - 4.0/10638=1 HG3 LYS 85 - QG2 THR 110 lone 6 100 - 6 - HB2 GLU 122 - QG2 THR 110 lone 4 100 - 4 - HB2 LYS 123 - QG2 THR 110 lone 2 68 - 2 - Peak 10452 from aliabs.peaks (1.76, 1.04, 21.00 ppm; 6.19 A): 3 out of 6 assignments used, quality = 0.62: HG LEU 66 + QG2 THR 110 OK 49 100 - 49 - 7308/4.0=11, 3.7/3600=8...(11) HB3 ARG 35 + QG2 THR 110 OK 17 96 - 17 - 1.8/9290=4, ~11628=2...(7) HB2 PRO 12 + QG2 THR 110 OK 11 100 - 11 - 11048/9278=3...(3) HG LEU 95 - QG2 THR 110 lone 8 100 - 8 - 3.0/9289=3, 3146/9289=1 HB ILE 83 - QG2 THR 110 lone 7 89 - 8 - ~10015=1 HG LEU 39 - QG2 THR 110 lone 5 81 - 6 - 2.1/8111=1 Peak 10453 from aliabs.peaks (2.41, 3.27, 50.40 ppm; 5.21 A): 6 out of 9 assignments used, quality = 0.93: HB3 PRO 118 + HD2 PRO 52 OK 59 96 - 61 - 10455/1.8=9, 8229/4.6=8...(26) HB ILE 91 + HD2 PRO 52 OK 36 100 - 37 - ~8986=9, ~8986=7...(10) HG3 MET 59 + HD2 PRO 52 OK 30 92 - 33 - 10455/1.8=5, ~10455=4...(15) HG2 MET 46 + HD2 PRO 52 OK 27 89 - 30 - 8229/4.6=10, 8223/4.8=9...(4) QE MET 46 + HD2 PRO 52 OK 26 72 - 36 - 8223/4.8=13, 8229/4.6=12...(5) HG2 MET 59 + HD2 PRO 52 OK 25 81 - 31 - 10455/1.8=5, ~10455=4...(15) HG3 GLN 25 - HD2 PRO 52 OK 21 92 - 23 - 8229/4.6=6, 8223/4.8=6...(4) HG3 GLN 133 - HD2 PRO 52 OK 16 81 - 19 - 8229/4.6=3, 8217/4.8=2...(9) HG2 GLN 133 - HD2 PRO 52 OK 11 77 - 14 - 1.8/10315=2, 8217/4.8=2...(7) Peak 10454 from aliabs.peaks (3.80, 3.54, 50.40 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.63: HA GLN 47 + HD3 PRO 52 OK 63 98 - 65 - 10672=27, 10673/1.8=24...(7) Peak 10455 from aliabs.peaks (2.40, 3.54, 50.40 ppm; 5.25 A): 8 out of 8 assignments used, quality = 0.95: HB3 PRO 118 + HD3 PRO 52 OK 55 89 - 62 - 10640/1.8=11, 8229/4.6=9...(26) HB ILE 91 + HD3 PRO 52 OK 37 100 - 37 - ~8986=9, ~8986=7...(11) HG2 MET 46 + HD3 PRO 52 OK 35 96 - 36 - 8229/4.6=10, 8223/4.8=10...(7) HG3 MET 59 + HD3 PRO 52 OK 33 98 - 33 - 10453/1.8=5, 8229/4.6=4...(15) HG2 MET 59 + HD3 PRO 52 OK 29 92 - 31 - 10453/1.8=4, ~10453=4...(15) HG3 GLN 25 + HD3 PRO 52 OK 25 98 - 25 - 8229/4.6=7, 8223/4.8=6...(5) HG3 GLN 133 + HD3 PRO 52 OK 14 68 - 20 - 8229/4.6=3, 10640/1.8=3...(9) HG2 GLN 133 + HD3 PRO 52 OK 10 62 - 16 - ~10315=3, ~10640=3...(7) Peak 10456 from aliabs.peaks (2.41, 4.10, 62.20 ppm; 3.91 A): 6 out of 11 assignments used, quality = 0.81: HG2 GLN 47 + HA PRO 52 OK 33 72 - 45 - 3.0/10459=22...(7) HG3 GLN 47 + HA PRO 52 OK 33 72 - 45 - 3.0/10459=22...(7) HB3 PRO 118 + HA PRO 52 OK 31 100 - 32 - 10640/3.6=4, 10455/3.6=4...(16) HB ILE 91 + HA PRO 52 OK 20 96 - 20 - ~8986=6, ~8986=4...(5) QE MET 46 + HA PRO 52 OK 14 85 - 16 - 10687/3.6=6, 4.2/10928=6 HG2 MET 46 + HA PRO 52 OK 12 77 - 15 - 3.0/10928=7, 9811/3.6=3...(4) HG3 GLN 25 - HA PRO 52 poor 8 81 - 10 - 9811/3.6=4, 10640/3.6=2 HG3 GLN 133 - HA PRO 52 lone 8 92 - 8 - 10315/3.6=2, 1114/10459=1 HG2 GLN 133 - HA PRO 52 lone 7 89 - 8 - 10315/3.6=1, 1114/10459=1 HG3 MET 59 - HA PRO 52 lone 7 81 - 8 - 10455/3.6=2, 10453/3.6=2 HG2 MET 59 - HA PRO 52 lone 5 68 - 7 - 10455/3.6=2, 10453/3.6=2 Peak 10457 from aliabs.peaks (3.81, 4.10, 62.20 ppm; 4.28 A): 3 out of 3 assignments used, quality = 0.91: HA GLN 47 + HA PRO 52 OK 68 92 - 74 - 2.9/10459=27, 8174=24...(11) HA THR 110 + HA PRO 52 OK 57 100 - 57 - 3587=12, 10642/2.3=12...(12) HA3 GLY 50 + HA PRO 52 OK 34 92 - 37 - 10642/2.3=13...(5) Peak 10458 from aliabs.peaks (3.82, 2.05, 32.05 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.96: HA3 GLY 50 + HB2 PRO 52 OK 72 98 - 73 - ~9831=19, 10655/3.0=16...(12) HA THR 110 + HB2 PRO 52 OK 67 100 - 67 - 10457/2.3=13...(19) HA GLN 47 + HB2 PRO 52 OK 55 81 - 67 - ~10459=18, 10672/3.0=17...(9) HB2 SER 100 - HB2 PRO 52 lone 5 62 - 8 - 4.1/10532=4 Peak 10459 from aliabs.peaks (2.33, 4.10, 62.20 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.50: HB3 GLN 47 + HA PRO 52 OK 50 96 - 52 - 2.9/8174=21, ~10475=8...(8) HG2 GLU 142 - HA PRO 52 lone 2 96 - 2 - Peak 10460 from aliabs.peaks (2.04, 0.97, 18.95 ppm; 4.70 A): 5 out of 5 assignments used, quality = 0.82: HB2 PRO 52 + QG2 THR 51 OK 65 77 - 84 - 3.0/8214=25, 3.0/8232=22...(12) HB2 PRO 33 + QG2 THR 51 OK 18 100 - 18 - 2.3/8228=7, 1.8/9915=3...(5) HG2 PRO 98 + QG2 THR 51 OK 17 100 - 17 - 1334/4.6=5, 1326/4.6=5...(5) HB3 LYS 34 + QG2 THR 51 OK 14 81 - 17 - 4.6/6188=5, 2.9/8226=3...(6) HG3 PRO 98 + QG2 THR 51 OK 11 62 - 17 - 1334/4.6=5, 1326/4.6=5...(4) Peak 10461 from aliabs.peaks (1.91, 0.97, 18.95 ppm; 5.41 A): 7 out of 10 assignments used, quality = 0.79: QE MET 68 + QG2 THR 51 OK 29 100 - 29 - 3.3/10992=9, 4.6/8213=4...(7) HB2 PRO 118 + QG2 THR 51 OK 27 62 - 43 - 1.8/8229=14, ~8223=10...(7) HB3 ARG 89 + QG2 THR 51 OK 23 62 - 37 - 3.5/8215=18, 3.5/8215=11...(5) HB3 LEU 69 + QG2 THR 51 OK 19 85 - 23 - 4.6/10646=6, 1.8/8225=6...(4) HB2 MET 59 + QG2 THR 51 OK 18 100 - 18 - 3.0/8229=5, 3.0/8229=5, ~8223=3 HG3 PRO 12 + QG2 THR 51 OK 11 92 - 12 - 11254/10649=3, 2.3/8227=2 HB2 ARG 140 + QG2 THR 51 OK 10 77 - 13 - 2.9/8227=2, 3.0/10651=1...(4) HB2 LYS 86 - QG2 THR 51 lone 8 94 - 8 - 4.9/8216=2, 4.9/8216=1 HG13 ILE 83 - QG2 THR 51 lone 7 68 - 10 - 11136/8225=2 HB ILE 101 - QG2 THR 51 lone 7 81 - 8 - Peak 10462 from aliabs.peaks (3.20, 0.97, 18.95 ppm; 4.42 A): 4 out of 9 assignments used, quality = 0.79: HG3 MET 46 + QG2 THR 51 OK 36 68 - 53 - 1.8/8229=14, ~10487=13...(7) HD3 ARG 144 + QG2 THR 51 OK 32 81 - 40 - 3.0/8226=10, 4.0/11393=5...(13) HA LEU 39 + QG2 THR 51 OK 31 100 - 32 - 3.0/8225=17, 3.9/863=3...(7) HA VAL 73 + QG2 THR 51 OK 30 100 - 30 - 3.0/8228=10, 3.0/8580=6...(5) HD2 ARG 55 - QG2 THR 51 lone 5 100 - 5 - HD3 ARG 55 - QG2 THR 51 lone 5 99 - 5 - HB3 TYR 117 - QG2 THR 51 lone 4 62 - 6 - 4.5/8213=4 HD2 ARG 141 - QG2 THR 51 lone 3 100 - 3 - HD3 ARG 141 - QG2 THR 51 lone 2 96 - 2 - Peak 10463 from aliabs.peaks (4.27, 0.97, 18.95 ppm; 3.81 A): 2 out of 7 assignments used, quality = 0.77: HA ARG 49 + QG2 THR 51 OK 63 100 - 63 - 3.0/8225=14...(10) HA2 GLY 50 + QG2 THR 51 OK 37 68 - 55 - 3.6/1317=23...(6) HA LEU 95 - QG2 THR 51 lone 9 94 - 10 - 10652/2.1=2, ~10113=1 HA3 GLY 78 - QG2 THR 51 poor 8 77 - 11 - 1.8/8216=4, 2352/8216=1, ~6838=1 HA ALA 135 - QG2 THR 51 lone 7 96 - 7 - 10445/10650=3 HB THR 99 - QG2 THR 51 lone 7 100 - 6 - 10162/8224=2, 10162/8224=1 HA SER 138 - QG2 THR 51 lone 6 100 - 6 - 10652/2.1=1 Peak 10464 from aliabs.peaks (1.99, 4.25, 44.44 ppm; 6.04 A): 3 out of 10 assignments used, quality = 0.94: HG3 PRO 52 + HA2 GLY 50 OK 91 96 - 94 - 2.3/9831=44, ~8188=30...(14) QE MET 113 + HA2 GLY 50 OK 17 85 - 19 - 9337/1.8=7, ~10196=6 HB2 GLN 111 + HA2 GLY 50 OK 13 100 - 13 - 1379/9831=7, 8228/10651=1 QE MET 11 - HA2 GLY 50 lone 10 100 - 10 - 10601/10657=2, 10601/10651=2 HB2 GLU 142 - HA2 GLY 50 poor 9 81 - 11 - ~1306=2, 3.0/4853=1, 1.8/4846=1 HB VAL 63 - HA2 GLY 50 lone 5 85 - 6 - 1337/9831=2 HB3 ARG 124 - HA2 GLY 50 lone 4 100 - 4 - QE MET 59 - HA2 GLY 50 lone 4 68 - 6 - HB ILE 56 - HA2 GLY 50 lone 4 94 - 4 - 9129/9113=1 HB3 GLU 90 - HA2 GLY 50 lone 3 85 - 4 - Peak 10465 from aliabs.peaks (1.93, 4.25, 44.44 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: HB3 PRO 52 + HA2 GLY 50 OK 94 96 - 97 - 3.0/9831=45, ~8188=33...(17) HG2 PRO 52 + HA2 GLY 50 OK 92 94 - 97 - 2.3/9831=46, ~8188=37...(16) HB2 ARG 89 + HA2 GLY 50 OK 45 100 - 46 - 3.5/8230=21, 3.5/8230=19...(6) HB2 ARG 140 - HA2 GLY 50 OK 35 99 - 35 - 3.4/8230=12, ~6474=5...(9) HB2 PRO 118 - HA2 GLY 50 OK 31 100 - 31 - ~8190=9, 8219/3.6=3...(11) HB3 LEU 132 - HA2 GLY 50 OK 16 94 - 17 - ~6476=4, ~1273=2...(5) HG13 ILE 83 - HA2 GLY 50 OK 14 100 - 14 - 3.2/10014=2, ~6474=2 HB ILE 136 - HA2 GLY 50 OK 11 99 - 11 - 3.9/7744=1, 2892/8230=1 HB2 LYS 86 - HA2 GLY 50 lone 8 89 - 9 - ~6476=4 HG3 PRO 12 - HA2 GLY 50 lone 7 92 - 8 - 8219/3.6=2, 1335/9831=1 Peak 10466 from aliabs.peaks (0.96, 4.27, 55.41 ppm; 5.32 A): 3 out of 4 assignments used, quality = 0.88: QG2 THR 51 + HA ARG 49 OK 70 85 - 82 - 10645/3.6=20...(11) HG3 ARG 35 + HA ARG 49 OK 54 99 - 55 - 10468/3.0=16...(11) QG2 VAL 63 + HA ARG 49 OK 14 98 - 15 - 10468/3.0=7, 10467/3.0=3 QG2 ILE 91 - HA ARG 49 poor 10 68 - 15 - 10468/3.0=7, 8974/5.2=3, ~7407=1 Peak 10467 from aliabs.peaks (0.96, 1.74, 30.11 ppm; 5.08 A): 3 out of 3 assignments used, quality = 0.93: QG2 THR 51 + HB2 ARG 49 OK 80 94 - 85 - 8225/1.8=22, 8216/3.7=22...(12) HG3 ARG 35 + HB2 ARG 49 OK 61 100 - 61 - 10468/1.8=14...(16) QG2 VAL 63 + HB2 ARG 49 OK 14 92 - 15 - 10468/1.8=6, 10466/3.0=3 Peak 10468 from aliabs.peaks (0.95, 1.36, 30.11 ppm; 5.34 A): 3 out of 4 assignments used, quality = 0.64: HG3 ARG 35 + HB3 ARG 49 OK 46 81 - 56 - 10467/1.8=12...(16) QG2 VAL 63 + HB3 ARG 49 OK 18 100 - 18 - 8362/10418=4...(4) QG2 ILE 91 + HB3 ARG 49 OK 18 94 - 19 - 8974/3.7=7, 8971/2280=3...(6) QG1 VAL 53 - HB3 ARG 49 lone 2 57 - 4 - Peak 10469 from aliabs.peaks (4.22, 1.61, 25.35 ppm; 4.90 A): 3 out of 8 assignments used, quality = 0.96: HA LYS 93 + HG3 LYS 48 OK 83 100 - 83 - 8186/1.8=10, 3016/3.0=9...(37) HA LYS 85 + HG3 LYS 48 OK 55 92 - 60 - 8186/1.8=7, 1148/2.9=7...(24) HA PHE 45 + HG3 LYS 48 OK 47 98 - 48 - 1019/4.9=18, 1020/2.9=9...(9) HA ARG 141 - HG3 LYS 48 OK 35 62 - 56 - 8186/1.8=8, 10502/3.8=7...(28) HA ILE 101 - HG3 LYS 48 OK 22 85 - 25 - 1019/4.9=5, 1020/2.9=4...(7) HA ALA 134 - HG3 LYS 48 OK 15 85 - 18 - ~10321=4, ~9637=4...(5) HA THR 102 - HG3 LYS 48 OK 11 92 - 12 - 6431/4.9=1, 8186/1.8=1 HB THR 102 - HG3 LYS 48 poor 9 85 - 11 - 8186/1.8=2 Peak 10470 from aliabs.peaks (3.53, 3.81, 59.57 ppm; 5.50 A): 2 out of 3 assignments used, quality = 0.80: HD3 PRO 52 + HA GLN 47 OK 76 94 - 81 - 10454=44, 1.8/10673=34...(8) HB2 PHE 45 + HA GLN 47 OK 16 94 - 17 - ~6397=13, 1331/10673=1 HA2 GLY 77 - HA GLN 47 lone 1 68 - 1 - Peak 10471 from aliabs.peaks (3.25, 3.81, 59.57 ppm; 4.83 A): 3 out of 3 assignments used, quality = 0.63: HD2 PRO 52 + HA GLN 47 OK 51 72 - 70 - 1.8/10454=42...(8) HD2 ARG 89 + HA GLN 47 OK 15 98 - 15 - 3.5/10675=4...(6) HB2 TYR 112 + HA GLN 47 OK 11 100 - 11 - 1338/10454=4...(4) Peak 10472 from aliabs.peaks (2.06, 3.81, 59.57 ppm; 3.96 A): 3 out of 5 assignments used, quality = 0.96: HG3 PRO 98 + HA GLN 47 OK 72 100 - 72 - 2.3/1093=13, ~10678=8...(25) HB2 PRO 52 + HA GLN 47 OK 65 100 - 66 - 3.0/10454=24...(10) HG2 PRO 98 + HA GLN 47 OK 54 77 - 70 - 2.3/1093=13, ~10475=6...(24) HB3 GLN 62 - HA GLN 47 OK 15 99 - 15 - 1.8/10473=7, ~10474=3...(4) HA ARG 35 - HA GLN 47 lone 2 72 - 2 - Peak 10473 from aliabs.peaks (1.90, 3.81, 59.57 ppm; 3.91 A): 3 out of 9 assignments used, quality = 0.49: HB3 ARG 140 + HA GLN 47 OK 26 99 - 27 - 4723/2.9=5, 10474/2.9=4...(9) HB ILE 101 + HA GLN 47 OK 17 92 - 19 - ~10182=7, 10474/2.9=4...(6) HB2 GLN 62 + HA GLN 47 OK 16 100 - 16 - 11516/5.1=6, 10474/2.9=4...(4) HB3 LEU 69 - HA GLN 47 lone 8 89 - 9 - ~9884=3, 10474/2.9=2...(4) HB3 ARG 89 - HA GLN 47 lone 8 99 - 8 - 3.5/10471=4...(3) HB3 LYS 93 - HA GLN 47 lone 5 98 - 5 - HB3 ARG 141 - HA GLN 47 lone 4 92 - 5 - 10474/2.9=1 HB3 GLN 111 - HA GLN 47 lone 2 100 - 2 - HB3 LYS 24 - HA GLN 47 lone 2 100 - 2 - Peak 10474 from aliabs.peaks (1.89, 2.36, 28.08 ppm; 5.23 A): 4 out of 9 assignments used, quality = 0.69: HB ILE 101 + HB2 GLN 47 OK 31 81 - 38 - ~10182=17, 10473/2.9=9...(9) HB3 ARG 140 + HB2 GLN 47 OK 30 100 - 30 - 10473/2.9=13, 4723/4.0=6...(7) HB2 GLN 62 + HB2 GLN 47 OK 27 99 - 28 - 11516/4.6=12...(4) HB3 LEU 69 + HB2 GLN 47 OK 11 77 - 15 - 10675/2.9=5, ~8465=2...(6) HB3 ARG 141 - HB2 GLN 47 lone 9 98 - 9 - 10473/2.9=2, 11664/1.8=1 HB3 ARG 89 - HB2 GLN 47 lone 7 94 - 8 - 10473/2.9=4 HB3 LYS 93 - HB2 GLN 47 lone 6 100 - 6 - 10473/2.9=2 HB3 LYS 24 - HB2 GLN 47 lone 5 98 - 5 - HB3 GLN 111 - HB2 GLN 47 lone 4 98 - 4 - 10473/2.9=1 Peak 10475 from aliabs.peaks (2.07, 2.36, 28.08 ppm; 5.32 A): 2 out of 6 assignments used, quality = 0.94: HG3 PRO 98 + HB2 GLN 47 OK 81 85 - 95 - 1.8/10678=24...(34) HB2 PRO 52 + HB2 GLN 47 OK 67 72 - 93 - ~10459=32, ~10454=24...(20) HB3 GLN 62 - HB2 GLN 47 OK 19 96 - 20 - 1.8/10474=9, ~10473=6 HD2 ARG 49 - HB2 GLN 47 lone 6 62 - 9 - 10676/4.0=2, ~10427=2, ~10304=1 HA ARG 35 - HB2 GLN 47 lone 4 100 - 4 - HB2 LEU 26 - HB2 GLN 47 lone 2 68 - 3 - Peak 10476 from aliabs.peaks (4.16, 2.36, 28.08 ppm; 5.06 A): 2 out of 8 assignments used, quality = 0.99: HB3 SER 44 + HB2 GLN 47 OK 91 100 - 91 - 3.0/997=39, ~998=27...(14) HB2 SER 44 + HB2 GLN 47 OK 91 100 - 91 - 3.0/997=39, ~998=27...(14) HA LYS 76 - HB2 GLN 47 lone 4 100 - 4 - 11053/4137=1 HA LEU 126 - HB2 GLN 47 lone 2 89 - 2 - HA PHE 38 - HB2 GLN 47 lone 2 81 - 2 - HA GLU 120 - HB2 GLN 47 lone 2 96 - 2 - HA3 GLY 125 - HB2 GLN 47 lone 1 99 - 1 - HA GLU 131 - HB2 GLN 47 lone 1 68 - 1 - Peak 10477 from aliabs.peaks (4.09, 2.42, 33.14 ppm; 4.10 A): 4 out of 24 assignments used, quality = 0.98: HD3 PRO 118 + HG2 GLN 133 OK 77 95 - 81 - 2.3/3966=7, ~3968=6...(49) HD3 PRO 118 + HG3 GLN 133 OK 74 91 - 81 - 2.3/3966=7, ~3968=6...(49) HD3 PRO 33 + HG2 GLN 47 OK 48 94 - 51 - 8174/3.6=6, 436=5...(18) HD3 PRO 33 + HG3 GLN 47 OK 48 94 - 51 - 8174/3.6=6, 436=5...(18) HD3 PRO 118 - HG2 GLN 47 OK 35 100 - 35 - 10981/3.0=3, 2.3/3966=2...(16) HD3 PRO 118 - HG3 GLN 47 OK 35 100 - 35 - 10981/3.0=3, 2.3/3966=2...(16) HA VAL 53 - HG2 GLN 133 OK 24 87 - 28 - 3.2/8185=4, ~9847=2...(11) HA VAL 53 - HG3 GLN 47 OK 22 94 - 23 - 9839/3.6=11, 10626/4.9=3...(4) HA VAL 53 - HG2 GLN 47 OK 22 94 - 23 - 9839/3.6=11, 10626/4.9=3...(4) HA VAL 53 - HG3 GLN 133 OK 21 83 - 25 - 3.2/8185=4, ~8185=3...(9) HA LEU 132 - HG2 GLN 133 OK 20 77 - 26 - 3.6/4549=11, 4.9/4522=6...(6) HA LEU 132 - HG3 GLN 133 OK 19 73 - 26 - 3.6/4549=11, 4.9/4522=6...(6) HD3 PRO 33 - HG2 GLN 133 poor 10 87 - 11 - HD3 PRO 33 - HG3 GLN 133 poor 9 83 - 11 - HA LEU 132 - HG3 GLN 47 lone 9 85 - 10 - 3.6/4549=4, 4.9/4522=2 HA LEU 132 - HG2 GLN 47 lone 9 85 - 10 - 3.6/4549=4, 4.9/4522=2 HA LYS 34 - HG2 GLN 47 lone 6 72 - 9 - 3.0/6158=2, ~6158=2, 4.0/10427=1 HA LYS 34 - HG3 GLN 47 lone 6 72 - 9 - 3.0/6158=2, ~6158=2, 4.0/10427=1 HA LYS 34 - HG2 GLN 133 lone 6 65 - 10 - 10581/2.9=2, 10581/2.9=2 HA LYS 34 - HG3 GLN 133 lone 6 61 - 10 - 10581/2.9=2, 10581/2.9=2 HA GLU 90 - HG2 GLN 133 lone 4 77 - 5 - 7678/4.5=1 HA GLU 90 - HG3 GLN 133 lone 3 73 - 4 - 7678/4.5=1 HA GLU 90 - HG3 GLN 47 lone 2 85 - 2 - HA GLU 90 - HG2 GLN 47 lone 2 85 - 2 - Peak 10478 from aliabs.peaks (8.41, 2.42, 18.74 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.66: H TYR 117 + QE MET 46 OK 44 96 - 45 - 9390/10696=14...(12) H GLU 75 + QE MET 46 OK 39 99 - 39 - 3.9/10689=21, 5.0/1084=6...(6) Peak 10479 from aliabs.peaks (8.12, 2.42, 18.74 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.84: H TYR 115 + QE MET 46 OK 80 100 - 81 - 3.0/10488=34...(16) H LEU 87 + QE MET 46 OK 21 100 - 21 - 3831/10488=4...(7) Peak 10481 from aliabs.peaks (2.82, 2.42, 18.74 ppm; 4.53 A): 2 out of 4 assignments used, quality = 0.57: HE3 LYS 114 + QE MET 46 OK 41 100 - 41 - 3.0/10491=11...(8) HB2 ASN 130 + QE MET 46 OK 27 100 - 27 - 3.4/10683=7, 4.0/10687=6...(6) HB2 ASN 139 - QE MET 46 lone 7 96 - 7 - 4.6/10684=3 HB2 ASP 40 - QE MET 46 lone 4 98 - 4 - 3796/10491=1, 3785/10699=1 Peak 10482 from aliabs.peaks (2.95, 2.42, 18.74 ppm; 4.26 A): 7 out of 11 assignments used, quality = 0.90: HB2 TYR 115 + QE MET 46 OK 73 100 - 73 - 2.9/10488=28...(11) HB3 PHE 67 + QE MET 46 OK 25 100 - 25 - 3.7/8170=6, 3.0/10486=4...(8) HB2 TYR 119 + QE MET 46 OK 17 68 - 26 - 3.0/10693=14...(3) HB3 ASN 130 + QE MET 46 OK 17 62 - 27 - 1.8/10481=12...(4) HE2 LYS 48 + QE MET 46 OK 11 100 - 11 - 3.0/10490=2, 3.6/9822=2 HE2 LYS 93 + QE MET 46 OK 11 100 - 11 - 3.8/10491=3, 3.0/10490=2 HE3 LYS 48 + QE MET 46 OK 11 99 - 11 - 3.0/10490=2, 3.6/9822=2 HE3 LYS 93 - QE MET 46 lone 8 81 - 10 - 3.8/10491=3, 3.0/10490=2 HB2 PHE 106 - QE MET 46 lone 5 100 - 5 - 1.8/10483=1 HE2 LYS 85 - QE MET 46 lone 4 100 - 4 - HE3 LYS 85 - QE MET 46 lone 4 94 - 4 - Peak 10483 from aliabs.peaks (3.11, 2.42, 18.74 ppm; 4.42 A): 0 out of 7 assignments used, low quality = 0.43: HA TYR 119 - QE MET 46 OK 33 89 - 37 - 10693=18, 9421/10701=8...(8) HB3 ASN 96 - QE MET 46 OK 15 100 - 15 - 3.0/10695=9, 8150/10701=3 HD2 ARG 145 - QE MET 46 lone 10 100 - 10 - 6.0/10684=3, 3.4/10490=2...(4) HD3 ARG 145 - QE MET 46 lone 10 100 - 10 - 6.0/10684=3, 3.4/10490=2...(4) HD2 ARG 109 - QE MET 46 lone 6 100 - 6 - 8150/10701=2 HA ALA 105 - QE MET 46 lone 5 89 - 5 - 8150/10701=1 HB3 PHE 106 - QE MET 46 lone 3 89 - 3 - 1.8/10482=1 Peak 10485 from aliabs.peaks (4.07, 2.42, 18.74 ppm; 4.07 A): 5 out of 6 assignments used, quality = 0.75: HA VAL 53 + QE MET 46 OK 52 89 - 58 - 3.2/10492=20...(15) HA LYS 34 + QE MET 46 OK 19 100 - 19 - 3.6/8170=4, ~10715=3...(6) HA GLN 25 + QE MET 46 OK 18 68 - 26 - 2.9/10489=7, 3.9/1086=3...(9) HA LEU 26 + QE MET 46 OK 13 89 - 15 - 10537/10493=1...(3) HA LEU 132 + QE MET 46 OK 11 96 - 11 - 11039/10693=2, 1397/10492=1 HA GLU 90 - QE MET 46 lone 7 96 - 7 - 10075/10702=1 Peak 10486 from aliabs.peaks (4.19, 2.42, 18.74 ppm; 4.74 A): 5 out of 5 assignments used, quality = 0.84: HA PHE 43 + QE MET 46 OK 50 92 - 55 - 972/4.2=13, 971/4.2=12...(11) HA TRP 88 + QE MET 46 OK 30 100 - 30 - 2828/3.3=4, 8930/10702=4...(6) HA CYS 121 + QE MET 46 OK 29 62 - 47 - 2.9/1082=13, 11508/3.3=6...(12) HA PHE 67 + QE MET 46 OK 23 72 - 32 - 2.8/8170=8, 3.0/10482=5...(11) HA LEU 64 + QE MET 46 OK 16 81 - 20 - 3.0/10493=7...(7) Peak 10487 from aliabs.peaks (4.36, 2.42, 18.74 ppm; 3.86 A): 0 out of 5 assignments used, low quality = 0.44: HB THR 51 - QE MET 46 OK 38 99 - 38 - 8223=10, 8223/3.3=7...(8) HA ASP 65 - QE MET 46 OK 10 100 - 10 - 8387/10700=2...(4) HA ARG 144 - QE MET 46 lone 6 98 - 7 - 3.6/10684=4 HA ASN 96 - QE MET 46 lone 4 72 - 6 - 3.0/10483=4 HA3 GLY 77 - QE MET 46 lone 2 94 - 2 - Peak 10488 from aliabs.peaks (4.53, 2.42, 18.74 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.63: HA TYR 115 + QE MET 46 OK 56 100 - 56 - 10277=24, 3.0/10479=9...(9) HA ASP 13 + QE MET 46 OK 14 96 - 15 - 3.6/10685=5, 4658/8170=4 HA HIS 14 - QE MET 46 poor 7 62 - 12 - 3.0/10685=6, 3.0/10691=2 HA PRO 98 - QE MET 46 lone 3 62 - 5 - 3.6/1083=3, 3256/5.2=1 Peak 10489 from aliabs.peaks (2.11, 2.42, 18.74 ppm; 3.55 A): 4 out of 6 assignments used, quality = 0.58: HG2 PRO 118 + QE MET 46 OK 34 98 - 34 - 3966=4, 2.3/1086=4...(14) HB3 GLN 25 + QE MET 46 OK 19 77 - 24 - 2.9/1086=4, 2.9/1086=4...(6) HB VAL 73 + QE MET 46 OK 14 92 - 15 - 4.0/10684=4, 3.0/1087=3...(4) HG2 PRO 33 + QE MET 46 OK 11 72 - 15 - 2.3/10694=3, ~10715=2 HB3 LYS 36 - QE MET 46 poor 8 81 - 10 - 3.0/10491=2, 3.9/10788=2 HG2 GLN 111 - QE MET 46 lone 2 62 - 4 - 4.7/1082=2 Peak 10490 from aliabs.peaks (1.66, 2.42, 18.74 ppm; 4.65 A): 10 out of 14 assignments used, quality = 0.93: HB2 LYS 114 + QE MET 46 OK 48 85 - 56 - 4.6/10479=16...(11) HB2 PRO 57 + QE MET 46 OK 41 100 - 41 - 1.8/1084=9, 10585/8171=9...(10) HG2 ARG 140 + QE MET 46 OK 26 96 - 27 - 2.9/1087=4, 2.9/1087=4...(7) HG13 ILE 136 + QE MET 46 OK 18 96 - 19 - 2.1/9671=3, 2.9/9674=2...(6) HD3 LYS 93 + QE MET 46 OK 18 99 - 18 - 3.0/10491=4, 3.0/10482=2...(5) HB2 ARG 145 + QE MET 46 OK 18 92 - 20 - 4.0/10684=5, 3.4/10483=4...(5) HD2 LYS 48 + QE MET 46 OK 17 98 - 18 - 3.0/10482=2, 3.0/9822=2...(6) HG2 ARG 124 + QE MET 46 OK 13 96 - 14 - 3.0/1087=2, 4229/3.3=1 HD3 LYS 48 + QE MET 46 OK 12 77 - 16 - 3.0/10482=2, 3.0/9822=2...(6) HB2 LEU 95 + QE MET 46 OK 11 98 - 11 - 3.0/10942=3, 3.1/9071=2 HB2 MET 68 - QE MET 46 poor 10 81 - 12 - 3.0/1953=1, 10842/10493=1 HB VAL 71 - QE MET 46 lone 8 98 - 8 - 10421/8171=1 HB3 LEU 26 - QE MET 46 poor 7 68 - 10 - 3.0/10485=4, 4719/8171=1 HG2 ARG 89 - QE MET 46 lone 4 98 - 4 - Peak 10491 from aliabs.peaks (1.42, 2.42, 18.74 ppm; 4.35 A): 5 out of 5 assignments used, quality = 0.77: HD2 LYS 114 + QE MET 46 OK 41 92 - 45 - 3.0/10481=15...(10) HG LEU 116 + QE MET 46 OK 40 72 - 55 - 2.1/10492=14, 11094=10...(12) HG3 LYS 93 + QE MET 46 OK 15 100 - 15 - 3.0/10490=2, 3.8/10482=2...(5) HB2 ARG 35 + QE MET 46 OK 15 81 - 18 - 3.6/8170=4, 11042/5.2=3...(5) HG2 LYS 36 + QE MET 46 OK 10 68 - 15 - 3.0/10489=4, 4.6/10788=3...(5) Peak 10492 from aliabs.peaks (1.02, 2.42, 18.74 ppm; 3.03 A): 3 out of 3 assignments used, quality = 0.76: QG2 VAL 53 + QE MET 46 OK 57 99 - 58 - 10699=21, 3.2/10694=8...(16) QD2 LEU 116 + QE MET 46 OK 31 85 - 36 - 2.1/11094=6...(16) QD2 LEU 69 + QE MET 46 OK 19 99 - 19 - 2.1/9930=3, 8143/10701=3...(7) Peak 10493 from aliabs.peaks (0.92, 2.42, 18.74 ppm; 3.85 A): 3 out of 5 assignments used, quality = 0.56: QD2 LEU 29 + QE MET 46 OK 36 96 - 38 - 8066=9, 4.8/8170=6...(12) QG1 VAL 63 + QE MET 46 OK 19 68 - 28 - 2.1/10700=10...(9) HB2 LEU 64 + QE MET 46 OK 14 100 - 14 - 9356/8171=3, 3.0/10486=2 HB2 LEU 108 - QE MET 46 lone 7 81 - 9 - 3.2/9944=1 QG2 VAL 80 - QE MET 46 lone 6 77 - 7 - 9356/8171=2 Peak 10494 from aliabs.peaks (0.54, 2.42, 18.74 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.74: QD1 LEU 42 + QE MET 46 OK 61 77 - 79 - 10701=49, 11008/3.3=16...(11) QD1 ILE 58 + QE MET 46 OK 33 96 - 34 - 10714/5.9=11...(8) Peak 10495 from aliabs.peaks (0.35, 2.42, 18.74 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 42 + QE MET 46 OK 91 100 - 91 - 2.1/10701=49, ~10708=23...(20) QD1 ILE 91 + QE MET 46 OK 84 94 - 89 - 3.3/10700=30, 10702=20...(31) HG2 LYS 123 - QE MET 46 OK 14 85 - 17 - 11097/10693=5...(6) Peak 10496 from aliabs.peaks (1.02, 2.40, 34.70 ppm; 5.64 A): 3 out of 3 assignments used, quality = 0.98: QG2 VAL 53 + HG2 MET 46 OK 86 100 - 87 - 8241/3.0=29...(16) QD2 LEU 116 + HG2 MET 46 OK 77 89 - 86 - ~9374=23, 10619/1.8=17...(19) QD2 LEU 69 + HG2 MET 46 OK 47 98 - 48 - 10497/3.0=10, ~9929=10...(10) Peak 10497 from aliabs.peaks (1.02, 2.72, 31.74 ppm; 5.06 A): 3 out of 3 assignments used, quality = 0.96: QG2 VAL 53 + HB3 MET 46 OK 74 100 - 75 - 8241=31, 10492/4.2=22...(9) QD2 LEU 116 + HB3 MET 46 OK 71 89 - 79 - 2.1/9374=26...(16) QD2 LEU 69 + HB3 MET 46 OK 49 98 - 50 - ~10993=13, ~11536=8...(10) Peak 10498 from aliabs.peaks (1.03, 2.19, 31.74 ppm; 4.88 A): 4 out of 8 assignments used, quality = 0.95: QD2 LEU 116 + HB2 MET 46 OK 72 100 - 72 - ~9374=22, 10619/3.0=10...(15) QG2 VAL 53 + HB2 MET 46 OK 66 94 - 70 - 8241/1.8=27...(12) QD2 LEU 69 + HB2 MET 46 OK 28 62 - 45 - ~10993=13, ~11536=7...(9) QG2 VAL 53 + HB3 PRO 57 OK 27 91 - 30 - ~11612=11, 2.1/8264=6...(7) QG2 THR 110 - HB3 PRO 57 OK 25 85 - 29 - 9289/1.8=8, 10451/2.3=7...(5) QG2 THR 110 - HB2 MET 46 OK 20 89 - 22 - 3.2/3591=6, 9291=4...(7) QD2 LEU 116 - HB3 PRO 57 OK 13 98 - 13 - 9355/10589=2...(3) QD2 LEU 69 - HB3 PRO 57 OK 13 59 - 22 - 8464/3.0=7, 8464/3.0=7...(5) Peak 10499 from aliabs.peaks (0.90, 2.19, 31.74 ppm; 5.00 A): 4 out of 14 assignments used, quality = 0.95: QG2 ILE 136 + HB3 PRO 57 OK 67 82 - 82 - 8263/1.8=16, 2.3/1522=9...(35) QG2 ILE 56 + HB3 PRO 57 OK 56 64 - 87 - 3.1/8265=26, ~8268=16...(21) HB2 LEU 64 + HB3 PRO 57 OK 52 59 - 89 - ~8267=22, ~11243=17...(22) QD1 ILE 101 + HB3 PRO 57 OK 33 82 - 40 - 8263/1.8=6, ~8263=6...(14) QD1 LEU 97 - HB2 MET 46 OK 32 89 - 36 - ~10106=7, ~9110=6...(9) QG2 ILE 101 - HB3 PRO 57 OK 30 73 - 41 - 8263/1.8=7, ~8263=5...(14) QG2 ILE 136 - HB2 MET 46 OK 25 85 - 29 - 9676/1.8=6, ~11005=3...(12) QG2 VAL 80 - HB3 PRO 57 OK 23 98 - 24 - 8753/2.3=4, 8756/10301=3...(8) QD1 ILE 101 - HB2 MET 46 OK 17 85 - 19 - 9173/3.0=5, ~9171=4...(4) QG2 ILE 101 - HB2 MET 46 OK 15 77 - 20 - ~9173=3, ~9171=3...(7) HB2 LEU 64 - HB2 MET 46 OK 15 62 - 23 - 3.1/10711=12...(6) QD1 LEU 97 - HB3 PRO 57 OK 11 85 - 13 - 8263/1.8=3, 10425/2.3=2 QG2 ILE 56 - HB2 MET 46 OK 11 68 - 16 - 4.2/1526=5, 4.2/1527=5...(4) QG2 VAL 80 - HB2 MET 46 lone 9 100 - 9 - 8756/10301=1...(4) Peak 10500 from aliabs.peaks (0.65, 2.19, 31.74 ppm; 4.31 A): 2 out of 6 assignments used, quality = 0.98: QD2 LEU 64 + HB3 PRO 57 OK 87 98 - 88 - 8267/2.3=32...(20) QD1 ILE 56 + HB3 PRO 57 OK 85 96 - 89 - 8265=30, 8268/2.3=21...(25) QD2 LEU 64 - HB2 MET 46 OK 30 100 - 30 - 10711=9, 8374/3.0=2...(10) QD1 LEU 126 - HB3 PRO 57 OK 18 95 - 19 - 8267/2.3=8, 4749/10589=6 QD1 ILE 56 - HB2 MET 46 OK 10 99 - 10 - 8623/6797=1, 8268/1539=1 QD1 LEU 126 - HB2 MET 46 lone 8 98 - 8 - 4749/10422=3, 10255/3.0=1 Peak 10501 from aliabs.peaks (0.97, 3.91, 56.95 ppm; 5.18 A): 4 out of 4 assignments used, quality = 0.70: QG2 THR 51 + HA MET 46 OK 44 96 - 46 - 8229/4.1=11, 8229/5.2=10...(9) QD1 LEU 29 + HA MET 46 OK 23 100 - 23 - ~10840=9, 10844/4.1=4...(5) HB2 LEU 39 + HA MET 46 OK 21 98 - 21 - 1.8/11506=7, 3.0/9820=3...(6) HG3 ARG 35 + HA MET 46 OK 12 77 - 16 - 2.9/11042=7...(5) Peak 10502 from aliabs.peaks (6.68, 4.16, 62.77 ppm; 4.47 A): 0 out of 2 assignments used, low quality = 0.00: QE TYR 27 - HB3 SER 44 lone 5 100 - 5 - 4.5/11499=2 QE TYR 27 - HB2 SER 44 lone 5 100 - 4 - 4.5/11499=2 Peak 10503 from aliabs.peaks (8.83, 4.16, 62.77 ppm; 4.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10505 from aliabs.peaks (2.84, 4.16, 62.77 ppm; 5.19 A): 0 out of 6 assignments used, low quality = 0.33: HB2 ASP 40 - HB3 SER 44 OK 18 77 - 24 - 4.4/10730=9, 3.3/6275=5...(5) HB2 ASP 40 - HB2 SER 44 OK 18 77 - 24 - 4.4/10730=9, 3.3/6275=4...(5) HB3 ASN 54 - HB3 SER 44 lone 4 96 - 4 - HB3 ASN 54 - HB2 SER 44 lone 4 96 - 4 - HB2 ASN 139 - HB3 SER 44 lone 3 81 - 3 - HB2 ASN 139 - HB2 SER 44 lone 3 81 - 3 - Peak 10506 from aliabs.peaks (6.32, 0.35, 25.42 ppm; 4.46 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10507 from aliabs.peaks (8.68, 0.35, 25.42 ppm; 5.99 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10508 from aliabs.peaks (8.81, 0.35, 25.42 ppm; 6.04 A): 1 out of 1 assignment used, quality = 0.51: H PHE 45 + QD2 LEU 42 OK 51 77 - 66 - 917/3.8=31, ~10740=19...(7) Peak 10509 from aliabs.peaks (1.27, 4.47, 57.45 ppm; 4.01 A): 0 out of 6 assignments used, low quality = 0.14: QG2 THR 102 - HA ASP 41 OK 14 100 - 14 - 10187=7, 3.2/10186=5, 4.2/7211=1 QG2 THR 99 - HA ASP 41 lone 3 100 - 3 - HB2 LEU 132 - HA ASP 41 lone 3 99 - 3 - HB3 LEU 97 - HA ASP 41 lone 3 98 - 3 - HG3 LYS 61 - HA ASP 41 lone 1 94 - 1 - HG2 LYS 61 - HA ASP 41 lone 1 68 - 1 - Peak 10510 from aliabs.peaks (8.30, 0.70, 22.14 ppm; 4.53 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10511 from aliabs.peaks (2.94, 0.03, 26.33 ppm; 5.84 A): 7 out of 11 assignments used, quality = 0.93: HB3 PHE 67 + QD1 LEU 39 OK 68 92 - 74 - 1.8/8115=26, 3.7/8406=19...(12) HB2 TYR 115 + QD1 LEU 39 OK 47 94 - 50 - 11113/2.1=12, ~8132=11...(11) HB2 TYR 119 + QD1 LEU 39 OK 24 94 - 25 - 11103/2.1=14...(4) HE3 LYS 93 + QD1 LEU 39 OK 18 99 - 18 - 3.8/10977=8, 3.0/8113=4 HE2 LYS 93 + QD1 LEU 39 OK 17 96 - 18 - 3.8/10977=8, 3.0/8113=4 HE3 LYS 85 + QD1 LEU 39 OK 12 100 - 12 - ~10978=2, 7.4/860=2...(4) HE2 LYS 85 + QD1 LEU 39 OK 12 98 - 12 - ~10978=2, 7.4/860=2...(5) HE3 LYS 48 - QD1 LEU 39 lone 6 100 - 6 - HE2 LYS 48 - QD1 LEU 39 lone 5 94 - 6 - HB2 PHE 106 - QD1 LEU 39 lone 5 92 - 5 - ~3428=1 HB3 ASN 130 - QD1 LEU 39 lone 3 92 - 3 - Peak 10513 from aliabs.peaks (8.29, 3.34, 39.24 ppm; 5.97 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10514 from aliabs.peaks (8.29, 2.77, 39.24 ppm; 5.83 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10515 from aliabs.peaks (4.08, 2.02, 30.10 ppm; 3.42 A): 4 out of 12 assignments used, quality = 0.74: HA LYS 34 + HB3 GLU 37 OK 30 77 - 39 - 10918/3.0=11, 9799/3.0=7...(12) HA GLU 90 + HB3 GLU 37 OK 29 89 - 33 - 2910=5, 2910/1.8=4...(12) HA LYS 34 + HB2 GLU 37 OK 29 75 - 39 - 10918/3.0=11, 9799/3.0=7...(13) HA GLU 90 + HB2 GLU 37 OK 26 87 - 30 - 2910/1.8=4, 2910=4...(11) HD3 PRO 33 - HB3 GLU 37 lone 9 92 - 9 - 10764/4.0=2, 435/1.8=1 HD3 PRO 33 - HB2 GLU 37 lone 8 90 - 9 - 10764/4.0=2 HA VAL 53 - HB3 GLU 37 lone 2 96 - 2 - HA VAL 53 - HB2 GLU 37 lone 2 95 - 2 - HD3 PRO 118 - HB2 GLU 37 lone 1 99 - 1 - HD3 PRO 118 - HB3 GLU 37 lone 1 100 - 1 - HA LEU 132 - HB3 GLU 37 lone 1 89 - 1 - HA LEU 132 - HB2 GLU 37 lone 1 87 - 1 - Peak 10516 from aliabs.peaks (4.37, 1.73, 28.90 ppm; 4.10 A): 3 out of 15 assignments used, quality = 0.95: HA3 GLY 77 + HB3 GLU 81 OK 72 78 - 92 - ~9994=23, 8773/3.0=20...(20) HA3 GLY 77 + HB2 GLU 81 OK 60 67 - 90 - 8773/3.0=20, 8768/3.0=19...(19) HA ARG 144 + HD2 LYS 36 OK 58 99 - 59 - 4877=8, 3.0/4886=7...(25) HA ARG 144 - HB3 GLU 81 OK 33 76 - 44 - 8768/3.0=6, 8773/3.0=6...(20) HA ARG 144 - HB2 GLU 81 OK 28 64 - 43 - 8768/3.0=6, 8773/3.0=6...(20) HA ASP 65 - HB3 GLU 81 OK 15 64 - 24 - 8385=5, 3.6/6640=5...(6) HA ASP 65 - HB2 GLU 81 OK 12 54 - 22 - 8768/3.0=4, 8385=4...(6) HA3 GLY 77 - HD2 LYS 36 lone 10 100 - 10 - 3.6/10782=2, 1.8/8685=2...(4) HA ASN 96 - HD2 LYS 36 lone 9 99 - 9 - 10999/3.0=3, 10999/3.0=3 HA ASP 65 - HD2 LYS 36 poor 9 89 - 10 - 8385=3, 3.6/6640=2, ~9887=1 HB THR 51 - HB3 GLU 81 poor 5 50 - 11 - 2.1/11393=2, ~8227=2...(5) HB THR 51 - HB2 GLU 81 lone 4 41 - 10 - 2.1/11393=2, ~10985=2...(4) HB THR 51 - HD2 LYS 36 lone 3 72 - 5 - 2.1/11393=2 HA ASN 96 - HB2 GLU 81 lone 2 64 - 3 - HA ASN 96 - HB3 GLU 81 lone 1 76 - 2 - Peak 10517 from aliabs.peaks (3.98, 2.10, 32.12 ppm; 4.20 A): 0 out of 1 assignment used, low quality = 0.12: HA GLU 75 - HB3 LYS 36 OK 12 100 - 12 - 10785/3.9=6, ~2216=2, ~2208=2 Peak 10519 from aliabs.peaks (4.64, 1.96, 31.69 ppm; 4.70 A): 3 out of 7 assignments used, quality = 0.74: HA ASP 32 + HB2 LYS 34 OK 54 100 - 54 - 9783/1.8=17...(9) HA LEU 87 + HB2 LYS 34 OK 33 92 - 36 - 3.0/498=6, 10520/1.8=6...(14) HA GLN 62 + HB2 LYS 34 OK 14 94 - 15 - 4.8/1651=3, 2.9/6577=3...(5) HA ASN 139 - HB2 LYS 34 lone 7 100 - 7 - 4.5/8098=3, 10520/1.8=1 HA ASP 16 - HB2 LYS 34 lone 4 85 - 5 - 10799/1.8=1 HA GLN 111 - HB2 LYS 34 lone 3 62 - 6 - 10798/4.1=1, 11244/11013=1 HA PRO 129 - HB2 LYS 34 lone 3 68 - 5 - Peak 10520 from aliabs.peaks (4.64, 2.03, 31.69 ppm; 4.50 A): 3 out of 14 assignments used, quality = 0.94: HA ASP 32 + HB3 LYS 34 OK 71 100 - 71 - 9783=19, 10519/1.8=17...(14) HA ASP 32 + HB2 PRO 33 OK 65 71 - 91 - 425/3.0=34, 423/3.0=32...(14) HA LEU 87 + HB3 LYS 34 OK 39 92 - 43 - 10519/1.8=10, 4.1/8898=7...(14) HA LEU 87 - HB2 PRO 33 OK 13 60 - 22 - 422/3.0=4, 424/3.0=4...(7) HA ASN 139 - HB2 PRO 33 OK 13 70 - 18 - 10358/2.3=6, 422/3.0=4...(4) HA PRO 129 - HB2 PRO 33 OK 12 41 - 30 - 10525/2.3=5, 422/3.0=4...(11) HA GLN 62 - HB3 LYS 34 OK 10 94 - 11 - 10519/1.8=4, ~6577=2 HA GLN 62 - HB2 PRO 33 poor 8 63 - 12 - 422/3.0=2, 424/3.0=2...(5) HA ASN 139 - HB3 LYS 34 lone 7 100 - 7 - 10519/1.8=2, ~10495=1 HA GLN 111 - HB2 PRO 33 poor 5 37 - 14 - 10810/2.3=3, 422/3.0=3...(5) HA PRO 129 - HB3 LYS 34 lone 4 68 - 6 - 10519/1.8=1 HA ASP 16 - HB2 PRO 33 lone 4 55 - 7 - 424/3.0=1, 422/3.0=1...(4) HA GLN 111 - HB3 LYS 34 lone 4 62 - 6 - 10798/4.1=1, 10519/1.8=1 HA ASP 16 - HB3 LYS 34 lone 3 85 - 3 - 10519/1.8=1 Peak 10522 from aliabs.peaks (2.40, 1.63, 25.32 ppm; 4.92 A): 6 out of 6 assignments used, quality = 0.78: HB3 PRO 118 + HG3 LYS 34 OK 28 81 - 35 - 10807/2.9=6, 10807/2.9=6...(13) HB ILE 91 + HG3 LYS 34 OK 27 100 - 27 - 10523/2.9=4, 10523/2.9=3...(9) HG2 MET 46 + HG3 LYS 34 OK 24 99 - 24 - 10715/2.9=8, ~10807=2...(7) HG3 MET 59 + HG3 LYS 34 OK 19 100 - 19 - 10523/2.9=2, 10523/2.9=2...(7) HG2 MET 59 + HG3 LYS 34 OK 18 96 - 19 - 10523/2.9=2, ~10523=2...(7) HG3 GLN 25 + HG3 LYS 34 OK 16 100 - 16 - 9775/4.0=2, 229/10995=2...(7) Peak 10523 from aliabs.peaks (2.41, 1.79, 28.26 ppm; 4.46 A): 11 out of 22 assignments used, quality = 0.87: HB ILE 91 + HD2 LYS 34 OK 28 98 - 29 - 10522/2.9=5, 3.2/8981=4...(10) HB3 PRO 118 + HD2 LYS 34 OK 25 99 - 26 - 10522/2.9=5, ~11479=2...(11) HB ILE 91 + HD3 LYS 34 OK 25 76 - 32 - 10522/2.9=5, 3.2/8981=5...(11) HB3 PRO 118 + HD3 LYS 34 OK 20 78 - 26 - 10522/2.9=5, ~11479=2...(11) HG3 MET 59 + HD2 LYS 34 OK 16 85 - 18 - 10522/2.9=4, ~10522=3 HG2 MET 46 + HD2 LYS 34 OK 14 81 - 17 - 10715/3.4=5, 10522/2.9=4...(4) HG2 MET 59 + HD2 LYS 34 OK 13 72 - 18 - 10522/2.9=3, ~10522=3 HG3 MET 59 + HD3 LYS 34 OK 13 62 - 21 - 10522/2.9=4, ~10522=3...(5) QE MET 46 + HD2 LYS 34 OK 11 81 - 14 - ~10715=3, 10485/4.7=3...(4) HG2 MET 59 + HD3 LYS 34 OK 10 51 - 20 - 10522/2.9=3, ~10522=3...(5) HG3 GLN 25 + HD2 LYS 34 OK 10 85 - 12 - 10522/2.9=3, 4.9/11369=2 HG2 MET 46 - HD3 LYS 34 poor 10 59 - 17 - 10715/3.4=5, 10522/2.9=4...(5) QE MET 46 - HD3 LYS 34 poor 8 59 - 13 - ~10715=3, 10485/4.7=3...(4) HG3 GLN 25 - HD3 LYS 34 poor 7 62 - 11 - 10522/2.9=3, 4.9/11369=2 HG3 GLN 47 - HD2 LYS 34 lone 4 68 - 6 - 10427/2.9=1, ~10427=1 HG2 GLN 47 - HD2 LYS 34 lone 4 68 - 6 - 10427/2.9=1, ~10427=1 HG3 GLN 133 - HD2 LYS 34 lone 4 89 - 4 - HG2 GLN 133 - HD2 LYS 34 lone 3 85 - 4 - HG2 GLN 47 - HD3 LYS 34 lone 3 47 - 6 - 10427/2.9=1, ~10427=1 HG3 GLN 47 - HD3 LYS 34 lone 3 47 - 6 - 10427/2.9=1, ~10427=1 HG3 GLN 133 - HD3 LYS 34 lone 3 66 - 4 - HG2 GLN 133 - HD3 LYS 34 lone 2 62 - 4 - Peak 10524 from aliabs.peaks (2.20, 1.79, 28.26 ppm; 4.05 A): 4 out of 10 assignments used, quality = 0.98: HB3 PRO 57 + HD2 LYS 34 OK 74 94 - 79 - 1524/1.8=8, 1.8/1516=7...(51) HB3 LYS 86 + HD2 LYS 34 OK 66 72 - 92 - 1.8/2688=9, 2.9/2721=8...(76) HB3 PRO 57 + HD3 LYS 34 OK 57 71 - 79 - 1.8/1516=8, 1524=8...(51) HB3 LYS 86 + HD3 LYS 34 OK 47 51 - 91 - 1.8/2688=9, 3.5/2732=8...(76) HB2 MET 46 - HD2 LYS 34 OK 16 98 - 16 - ~10715=3, 4.2/10807=2...(6) HB2 MET 46 - HD3 LYS 34 OK 12 76 - 16 - ~10715=3, ~10522=2...(7) HG2 GLU 75 - HD2 LYS 34 lone 7 99 - 7 - HG2 GLU 75 - HD3 LYS 34 lone 6 78 - 7 - HB2 MET 113 - HD2 LYS 34 lone 3 94 - 3 - HB2 MET 113 - HD3 LYS 34 lone 2 71 - 3 - Peak 10525 from aliabs.peaks (4.63, 2.10, 27.24 ppm; 3.62 A): 3 out of 5 assignments used, quality = 0.72: HA ASP 32 + HG2 PRO 33 OK 55 77 - 71 - 425/2.3=20, 423/2.3=19...(13) HA PRO 129 + HG2 PRO 33 OK 26 100 - 26 - 4368/1.8=3, 422/2.3=2...(10) HA LEU 87 + HG2 PRO 33 OK 15 98 - 16 - 422/2.3=4, 424/2.3=3...(6) HA ARG 124 - HG2 PRO 33 lone 8 99 - 8 - 10799/2.3=2, 10799/467=1 HA GLN 62 - HG2 PRO 33 lone 7 96 - 7 - 30/2.3=1, 424/2.3=1, 422/2.3=1 Peak 10526 from aliabs.peaks (4.42, 4.64, 52.22 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.98: HA PRO 33 + HA ASP 32 OK 98 98 - 100 - 4.8=100 HA PRO 57 - HA ASP 32 OK 37 100 - 37 - 426/3.8=13, 434/3.8=13...(8) HA ASP 40 - HA ASP 32 lone 9 92 - 9 - 875/3.0=2, ~6276=2...(4) Peak 10529 from aliabs.peaks (7.09, 0.98, 25.10 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.61: H MET 68 + QD1 LEU 29 OK 51 68 - 76 - 10837=27, 4.4/11531=19...(13) QD TYR 70 + QD1 LEU 29 OK 20 98 - 21 - ~8059=3, 9804/659=2...(9) Peak 10531 from aliabs.peaks (2.47, 1.48, 42.06 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.94: HB2 ASP 65 + HB3 LEU 29 OK 86 96 - 89 - 8065/3.1=34, ~8068=23...(13) HB3 GLU 131 + HB3 LEU 29 OK 56 100 - 57 - 8065/3.1=11, ~10291=11...(11) Peak 10532 from aliabs.peaks (2.38, 0.92, 23.00 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.70: HG2 GLN 25 + QD2 LEU 29 OK 62 98 - 63 - 9778/2.1=15, 3.5/8073=13...(16) HG3 MET 11 + QD2 LEU 29 OK 20 99 - 21 - 9778/2.1=7, ~10601=5...(4) HG3 GLU 37 - QD2 LEU 29 lone 5 96 - 5 - 9778/2.1=1 Peak 10533 from aliabs.peaks (2.79, 2.16, 26.52 ppm; 5.66 A): 4 out of 6 assignments used, quality = 0.62: HB2 ASN 128 + HG LEU 29 OK 24 68 - 36 - 3.0/10263=29, 4.8/364=7 HG3 GLN 111 + HG LEU 29 OK 24 98 - 24 - 3.0/10534=13...(3) HB3 TYR 119 + HG LEU 29 OK 20 92 - 22 - ~11101=8, ~11102=5...(6) HB3 ASN 84 + HG LEU 29 OK 18 100 - 17 - 10044/3.0=3...(6) HB3 ASP 41 - HG LEU 29 lone 5 89 - 6 - 4331/10263=2 HB3 ASN 139 - HG LEU 29 lone 4 68 - 6 - 4331/10263=2 Peak 10534 from aliabs.peaks (1.99, 2.16, 26.52 ppm; 3.84 A): 0 out of 7 assignments used, low quality = 0.35: QE MET 11 - HG LEU 29 OK 21 89 - 23 - 10601/2.1=12, ~9778=4...(4) HB2 GLN 111 - HG LEU 29 OK 17 92 - 19 - 4.6/11693=13, 3.0/10533=4 HG3 PRO 52 - HG LEU 29 poor 9 68 - 13 - ~8233=4, ~8232=4...(5) HB ILE 56 - HG LEU 29 lone 7 100 - 7 - 3.2/8254=4, 9880/8373=1 HB3 ARG 124 - HG LEU 29 lone 5 94 - 5 - ~9779=1 HB3 GLU 75 - HG LEU 29 lone 4 92 - 5 - HB2 GLU 142 - HG LEU 29 lone 1 100 - 1 - Peak 10535 from aliabs.peaks (2.42, 3.94, 58.31 ppm; 4.95 A): 6 out of 9 assignments used, quality = 0.91: HG2 GLN 133 + HA LEU 29 OK 53 99 - 54 - 2.9/343=8, 8066/4.0=8...(15) HG3 GLN 133 + HA LEU 29 OK 52 98 - 54 - 8066/4.0=9, 2.9/343=8...(15) QE MET 46 + HA LEU 29 OK 34 100 - 34 - 10493/4.0=15...(5) HB3 PRO 118 + HA LEU 29 OK 22 85 - 26 - ~10850=5, 8066/4.0=5...(6) HB3 PRO 33 + HA LEU 29 OK 15 89 - 17 - ~9792=5, ~10850=3...(5) HG2 MET 68 + HA LEU 29 OK 13 96 - 13 - 8418/3.6=4, 9915/4.0=4 HG2 GLN 47 - HA LEU 29 lone 7 100 - 6 - 8066/4.0=1 HG3 GLN 47 - HA LEU 29 lone 7 100 - 6 - 8066/4.0=1 HG2 MET 11 - HA LEU 29 lone 2 62 - 3 - 9915/4.0=2 Peak 10536 from aliabs.peaks (2.97, 0.92, 23.00 ppm; 4.63 A): 6 out of 8 assignments used, quality = 0.77: HB2 TYR 115 + QD2 LEU 29 OK 31 62 - 50 - 2.5/378=12, 4.5/9356=10...(10) HB3 PHE 67 + QD2 LEU 29 OK 30 68 - 45 - ~10844=12, 1.8/8068=11...(10) HB3 TYR 27 + QD2 LEU 29 OK 23 100 - 23 - 4.7/10834=8, ~8045=6...(4) HB2 ASP 30 + QD2 LEU 29 OK 19 96 - 19 - 3.8/378=16 HB2 PHE 106 + QD2 LEU 29 OK 15 68 - 22 - 4.0/10834=5, 3.0/372=3...(9) HA VAL 71 + QD2 LEU 29 OK 12 68 - 18 - ~9896=4, 3.0/10842=3...(5) HE2 LYS 48 - QD2 LEU 29 lone 4 62 - 7 - 3.0/10842=1 HB2 HIS 14 - QD2 LEU 29 lone 4 92 - 4 - 4.0/371=2 Peak 10537 from aliabs.peaks (4.07, 0.92, 23.00 ppm; 3.47 A): 5 out of 6 assignments used, quality = 0.87: HA GLN 25 + QD2 LEU 29 OK 42 72 - 58 - 3.9/10532=15, 2.9/375=8...(15) HA LEU 26 + QD2 LEU 29 OK 41 92 - 45 - 8060/2.1=8, 10917/2.1=8...(13) HA VAL 53 + QD2 LEU 29 OK 34 85 - 39 - 9840/4.0=7, 8060/2.1=7...(12) HA LYS 34 + QD2 LEU 29 OK 27 99 - 28 - 8060/2.1=6, 3.6/378=5...(7) HA LEU 132 + QD2 LEU 29 OK 23 94 - 25 - 8060/2.1=5, 3.6/9622=4...(8) HA GLU 90 - QD2 LEU 29 lone 7 94 - 8 - 8060/2.1=1, 2.9/10074=1 Peak 10538 from aliabs.peaks (2.71, 1.54, 18.21 ppm; 5.06 A): 2 out of 5 assignments used, quality = 0.67: HB2 ASN 84 + QB ALA 135 OK 62 77 - 81 - 3.5/9659=41...(10) HB3 CYS 121 + QB ALA 135 OK 11 100 - 11 - 10316/2.1=2, 9897/9628=2 HB3 ASP 13 - QB ALA 135 lone 8 89 - 9 - 11632/4.0=3, 9716/4588=1 HB3 MET 46 - QB ALA 135 lone 8 77 - 10 - 9374/11611=3, 9676/10319=1 HB3 GLU 120 - QB ALA 135 lone 5 72 - 7 - 3.0/4012=1 Peak 10540 from aliabs.peaks (3.04, 2.45, 36.17 ppm; 6.09 A): 4 out of 5 assignments used, quality = 0.67: HB2 TYR 27 + HG3 GLU 28 OK 36 68 - 53 - 4.7/332=28, 3.9/10855=23...(5) HB3 ASP 65 + HG3 GLU 28 OK 28 98 - 28 - 8051/1.8=20...(3) HE2 LYS 34 + HG3 GLU 28 OK 17 89 - 19 - 3.7/10863=7, ~10808=5...(5) HE3 LYS 34 + HG3 GLU 28 OK 13 72 - 18 - 3.7/10863=7, ~10808=5...(4) HB2 HIS 10 - HG3 GLU 28 lone 6 100 - 6 - 8051/1.8=1 Peak 10541 from aliabs.peaks (0.92, 4.55, 55.40 ppm; 5.24 A): 4 out of 5 assignments used, quality = 0.87: QD2 LEU 29 + HA GLU 28 OK 72 98 - 74 - 371/3.6=32, 8058=26...(8) QG1 VAL 63 + HA GLU 28 OK 37 72 - 51 - ~9868=18, ~8056=18...(7) QG2 VAL 80 + HA GLU 28 OK 18 72 - 25 - 4.4/11300=15, ~9961=4...(6) HB2 LEU 64 + HA GLU 28 OK 11 100 - 11 - 6125/3.6=6, 6134/8079=2 HB2 LEU 108 - HA GLU 28 lone 5 85 - 6 - 8056/3.0=3, 6125/3.6=1 Peak 10542 from aliabs.peaks (1.62, 2.45, 36.17 ppm; 5.11 A): 4 out of 9 assignments used, quality = 0.81: HD2 LYS 24 + HG3 GLU 28 OK 57 94 - 60 - 3.0/10893=28...(6) HG3 LYS 48 + HG3 GLU 28 OK 29 94 - 31 - 1.8/8054=9, 3.6/8049=4...(8) HB2 LEU 87 + HG3 GLU 28 OK 24 100 - 24 - 3.0/10862=8...(8) HG3 LYS 34 + HG3 GLU 28 OK 19 94 - 20 - 3.7/10540=4, ~10808=4...(6) HG3 ARG 144 - HG3 GLU 28 lone 5 98 - 5 - HB3 LEU 64 - HG3 GLU 28 lone 4 94 - 4 - HG3 ARG 49 - HG3 GLU 28 lone 3 94 - 3 - HG LEU 108 - HG3 GLU 28 lone 1 68 - 2 - HG2 ARG 141 - HG3 GLU 28 lone 1 62 - 2 - Peak 10543 from aliabs.peaks (1.31, 2.45, 36.17 ppm; 5.21 A): 2 out of 4 assignments used, quality = 0.69: HG3 LYS 24 + HG3 GLU 28 OK 61 96 - 63 - 1.8/10893=34...(7) HG LEU 87 + HG3 GLU 28 OK 22 100 - 22 - 3.0/10542=6...(10) HG LEU 79 - HG3 GLU 28 lone 5 100 - 5 - HG12 ILE 83 - HG3 GLU 28 lone 4 85 - 4 - Peak 10544 from aliabs.peaks (0.95, 4.06, 57.28 ppm; 3.40 A): 4 out of 4 assignments used, quality = 0.85: HG3 ARG 35 + HA LEU 26 OK 60 89 - 68 - 10866/2.9=18, 1.8/241=9...(22) QG2 VAL 63 + HA LEU 26 OK 48 100 - 48 - 10575/4.0=9, 8352/3.0=8...(11) QG2 ILE 91 + HA LEU 26 OK 20 89 - 22 - 10940/4.8=3, 10575/4.0=3...(8) QG2 THR 51 + HA LEU 26 OK 12 62 - 19 - 10866/2.9=7, 11187/3.6=3...(6) Peak 10545 from aliabs.peaks (0.91, 4.06, 57.28 ppm; 3.81 A): 3 out of 6 assignments used, quality = 0.72: QG2 VAL 80 + HA LEU 26 OK 50 100 - 50 - 8748=12, 9948/3.0=9...(11) QD1 LEU 97 + HA LEU 26 OK 36 81 - 45 - 10908/3.8=10, 2.1/239=7...(15) HB2 LEU 64 + HA LEU 26 OK 10 72 - 14 - 10867/2.9=3, 10569/3.8=2...(5) QD1 ILE 101 - HA LEU 26 poor 9 77 - 12 - 10908/3.8=2, 10179/4.3=1 QG2 ILE 136 - HA LEU 26 poor 9 77 - 11 - 10908/3.8=2...(3) QG2 ILE 101 - HA LEU 26 lone 6 68 - 9 - 10908/3.8=2 Peak 10546 from aliabs.peaks (0.70, 4.06, 57.28 ppm; 5.23 A): 3 out of 4 assignments used, quality = 0.90: QD2 LEU 39 + HA LEU 26 OK 81 100 - 81 - ~10869=26, ~10905=25...(14) QD2 LEU 66 + HA LEU 26 OK 38 85 - 44 - 10576/4.0=16...(8) QD1 ILE 83 + HA LEU 26 OK 15 57 - 26 - ~10659=5, 10576/4.0=4...(10) QD2 LEU 87 - HA LEU 26 lone 3 62 - 5 - Peak 10547 from aliabs.peaks (0.60, 4.06, 57.28 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.83: QD1 LEU 132 + HA LEU 26 OK 56 98 - 57 - 10577/4.0=9, 4511=6...(17) QD1 LEU 66 + HA LEU 26 OK 51 98 - 53 - 10577/4.0=19...(10) QG1 VAL 71 + HA LEU 26 OK 20 100 - 21 - 10577/4.0=4, 10911/3.8=3...(4) Peak 10548 from aliabs.peaks (7.67, 1.20, 24.08 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.52: H LEU 97 + QD1 LEU 26 OK 52 89 - 59 - 10558/2.1=29, 10875=17...(10) Peak 10549 from aliabs.peaks (7.32, 1.20, 24.08 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.62: H PHE 67 + QD1 LEU 26 OK 36 62 - 58 - 10876=15, 3.6/10561=14...(13) H GLU 81 + QD1 LEU 26 OK 24 89 - 27 - 10557/2.1=10...(10) QD TYR 115 + QD1 LEU 26 OK 22 77 - 28 - 10876=6, 9902/10577=3...(11) Peak 10550 from aliabs.peaks (7.04, 1.20, 24.08 ppm; 5.53 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10551 from aliabs.peaks (6.94, 1.20, 24.08 ppm; 5.10 A): 3 out of 3 assignments used, quality = 0.66: QD PHE 23 + QD1 LEU 26 OK 40 98 - 41 - 10890/4.0=16...(7) QD TYR 112 + QD1 LEU 26 OK 31 85 - 36 - 2.2/10877=17, 4.5/9296=8...(6) HD2 HIS 10 + QD1 LEU 26 OK 19 99 - 19 - 10881/2.1=7, 4.0/10564=3...(6) Peak 10552 from aliabs.peaks (6.80, 1.20, 24.08 ppm; 5.70 A): 0 out of 1 assignment used, low quality = 0.26: H LYS 76 - QD1 LEU 26 OK 26 68 - 38 - 10877=23, 4.4/10584=6...(6) Peak 10553 from aliabs.peaks (4.36, 1.08, 26.57 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.87: HA ASP 65 + QD2 LEU 26 OK 82 100 - 83 - 10818=47, 10902/2.1=31...(18) HB THR 51 + QD2 LEU 26 OK 27 100 - 27 - 10562/2.1=10...(4) HA TYR 70 - QD2 LEU 26 poor 7 68 - 11 - 10562/2.1=3, ~11256=2...(5) HA ARG 144 - QD2 LEU 26 lone 6 92 - 6 - 10902/2.1=2 HA3 GLY 77 - QD2 LEU 26 lone 2 85 - 3 - 10902/2.1=1 Peak 10554 from aliabs.peaks (6.79, 1.08, 26.57 ppm; 4.03 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10555 from aliabs.peaks (6.95, 1.08, 26.57 ppm; 4.57 A): 0 out of 2 assignments used, low quality = 0.34: QD PHE 23 - QD2 LEU 26 OK 23 85 - 27 - 10890/3.8=13...(7) HD2 HIS 10 - QD2 LEU 26 OK 14 81 - 17 - 10881=8, 10551/2.1=2...(5) Peak 10556 from aliabs.peaks (7.06, 1.08, 26.57 ppm; 4.03 A): 0 out of 1 assignment used, low quality = 0.24: QE PHE 67 - QD2 LEU 26 OK 24 100 - 24 - 2.2/10881=9, 6.1/11629=5...(7) Peak 10557 from aliabs.peaks (7.33, 1.08, 26.57 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.70: H GLU 81 + QD2 LEU 26 OK 48 100 - 49 - 8776/8799=20...(12) QD PHE 43 + QD2 LEU 26 OK 42 77 - 55 - 3.8/10883=34...(7) Peak 10558 from aliabs.peaks (7.67, 1.08, 26.57 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.59: H LEU 97 + QD2 LEU 26 OK 59 89 - 66 - 10548/2.1=43...(10) Peak 10561 from aliabs.peaks (3.84, 1.20, 24.08 ppm; 4.98 A): 4 out of 6 assignments used, quality = 0.92: HA LEU 66 + QD1 LEU 26 OK 85 100 - 85 - 10563/2.1=24...(15) HA GLN 133 + QD1 LEU 26 OK 32 98 - 33 - 9615=8, 10563/2.1=6...(10) HA ALA 104 + QD1 LEU 26 OK 13 89 - 15 - 4.9/3414=4, 10563/2.1=2...(4) HB2 SER 127 + QD1 LEU 26 OK 11 94 - 12 - 9501/10568=2...(4) HA3 GLY 50 - QD1 LEU 26 poor 10 62 - 15 - 10563/2.1=3, 2.9/10875=3...(6) HB2 SER 100 - QD1 LEU 26 lone 9 98 - 10 - 10563/2.1=3 Peak 10562 from aliabs.peaks (4.36, 1.20, 24.08 ppm; 3.58 A): 3 out of 5 assignments used, quality = 0.75: HA ASP 65 + QD1 LEU 26 OK 61 89 - 68 - 10902=35, 10818/2.1=22...(17) HB THR 51 + QD1 LEU 26 OK 28 98 - 29 - 10902=10, 10553/2.1=5...(7) HA ILE 56 + QD1 LEU 26 OK 12 81 - 15 - 3.2/1462=4, 4.2/1483=4...(6) HA TYR 70 - QD1 LEU 26 lone 8 92 - 9 - 8400/10576=2...(4) HA ARG 144 - QD1 LEU 26 lone 5 68 - 7 - 10902=3, 10553/2.1=1 Peak 10563 from aliabs.peaks (3.83, 1.08, 26.57 ppm; 4.58 A): 3 out of 6 assignments used, quality = 0.87: HA LEU 66 + QD2 LEU 26 OK 81 98 - 83 - 2.8/11443=26...(14) HA GLN 133 + QD2 LEU 26 OK 21 89 - 24 - 9615/2.1=7, 9620/10595=2...(6) HA3 GLY 50 + QD2 LEU 26 OK 11 81 - 14 - 2.9/10878=3, 10561/2.1=2...(4) HB2 SER 100 - QD2 LEU 26 lone 10 100 - 10 - 10561/2.1=2 HA ALA 104 - QD2 LEU 26 lone 7 72 - 10 - 10561/2.1=3 HB2 SER 127 - QD2 LEU 26 lone 7 81 - 8 - 10561/2.1=2, 9520/10908=2 Peak 10564 from aliabs.peaks (3.04, 1.20, 24.08 ppm; 4.82 A): 4 out of 4 assignments used, quality = 0.93: HB3 ASP 65 + QD1 LEU 26 OK 86 100 - 86 - 3.0/10902=31, ~10818=25...(19) HE2 LYS 34 + QD1 LEU 26 OK 26 62 - 43 - 4.6/10584=15, 3.7/270=7...(11) HB2 PHE 67 + QD1 LEU 26 OK 22 68 - 33 - 3.7/8408=14, 10904=5...(7) HB2 HIS 10 + QD1 LEU 26 OK 13 100 - 13 - 4.0/10551=6, 10904=2 Peak 10565 from aliabs.peaks (3.06, 1.08, 26.57 ppm; 4.86 A): 5 out of 7 assignments used, quality = 0.85: HB2 TYR 27 + QD2 LEU 26 OK 34 100 - 34 - 3.9/6094=14, 10567/3.8=7...(6) HE3 LYS 34 + QD2 LEU 26 OK 33 100 - 33 - 10567/3.8=7, ~10564=5...(9) HE2 LYS 34 + QD2 LEU 26 OK 32 100 - 32 - 10567/3.8=7, 3.7/278=5...(9) HE3 LYS 86 + QD2 LEU 26 OK 29 96 - 30 - 3.0/279=4, 10567/3.8=4...(16) HE2 LYS 86 + QD2 LEU 26 OK 28 94 - 30 - 3.0/279=4, 10567/3.8=4...(16) HB2 HIS 10 - QD2 LEU 26 poor 9 62 - 14 - 4.0/10555=11 HB3 ASP 30 - QD2 LEU 26 lone 2 68 - 3 - 10567/3.8=1 Peak 10566 from aliabs.peaks (3.38, 1.08, 26.57 ppm; 5.65 A): 2 out of 2 assignments used, quality = 0.79: HD3 PRO 57 + QD2 LEU 26 OK 61 96 - 64 - ~8262=11, 8253/10595=9...(26) HD2 PRO 57 + QD2 LEU 26 OK 45 72 - 63 - ~8262=11, 8253/10595=10...(27) Peak 10567 from aliabs.peaks (3.06, 4.06, 57.28 ppm; 4.64 A): 5 out of 7 assignments used, quality = 0.94: HB2 TYR 27 + HA LEU 26 OK 53 100 - 53 - 11367/4.8=15...(9) HE2 LYS 34 + HA LEU 26 OK 52 100 - 52 - 3.7/516=7, 3.7/527=7...(17) HE3 LYS 34 + HA LEU 26 OK 52 100 - 52 - 3.7/516=7, 3.7/527=7...(17) HE3 LYS 86 + HA LEU 26 OK 27 96 - 28 - 10565/3.8=5, 3.0/239=4...(12) HE2 LYS 86 + HA LEU 26 OK 26 94 - 28 - 10565/3.8=4, 3.0/239=4...(12) HB3 ASP 30 - HA LEU 26 poor 8 68 - 12 - 6096/3.6=4, 285/4.9=4, 3.8/492=2 HB2 HIS 10 - HA LEU 26 lone 2 62 - 4 - 10565/3.8=1 Peak 10568 from aliabs.peaks (2.45, 1.20, 24.08 ppm; 5.51 A): 0 out of 3 assignments used, low quality = 0.41: HG3 GLU 28 - QD1 LEU 26 OK 26 100 - 26 - 10863/3.2=11...(5) HG3 GLU 131 - QD1 LEU 26 OK 20 100 - 20 - 2.9/269=3, 4463/3.2=2...(8) HG2 MET 11 - QD1 LEU 26 lone 5 62 - 8 - 3.0/10584=3, ~10583=1, ~10919=1 Peak 10569 from aliabs.peaks (0.92, 1.08, 26.57 ppm; 3.16 A): 5 out of 5 assignments used, quality = 0.81: HB2 LEU 108 + QD2 LEU 26 OK 34 81 - 42 - 10906/2.1=9, 1.8/280=7...(17) QG1 VAL 63 + QD2 LEU 26 OK 30 68 - 45 - 2.1/10583=8, ~10575=8...(13) QD2 LEU 29 + QD2 LEU 26 OK 28 96 - 29 - 10851/3.8=5, 2.1/10570=5...(10) QG2 VAL 80 + QD2 LEU 26 OK 27 77 - 34 - 10908=7, 4.4/10557=5...(9) HB2 LEU 64 + QD2 LEU 26 OK 20 100 - 20 - 10906/2.1=2...(6) Peak 10570 from aliabs.peaks (0.97, 1.08, 26.57 ppm; 3.15 A): 5 out of 5 assignments used, quality = 0.92: HG3 ARG 35 + QD2 LEU 26 OK 59 98 - 60 - 624=11, ~273=8, ~265=5...(25) HB2 LEU 39 + QD2 LEU 26 OK 50 77 - 65 - 3.2/10574=18, ~10907=9...(19) QG2 VAL 63 + QD2 LEU 26 OK 30 68 - 44 - 10906/2.1=8, 2.1/10583=8...(13) QD1 LEU 29 + QD2 LEU 26 OK 29 85 - 34 - 2.1/10569=6, 8075/2.1=5...(11) QG2 THR 51 + QD2 LEU 26 OK 25 100 - 25 - 2.1/10553=4, ~10562=4...(9) Peak 10571 from aliabs.peaks (0.67, 1.08, 26.57 ppm; 2.98 A): 3 out of 3 assignments used, quality = 0.54: QD2 LEU 66 + QD2 LEU 26 OK 31 57 - 55 - 2.1/11466=13...(12) QD1 ILE 83 + QD2 LEU 26 OK 21 85 - 25 - 10024/10572=7...(7) HB3 LEU 116 + QD2 LEU 26 OK 14 100 - 14 - 10870/3.8=4, 10913/2.1=2 Peak 10572 from aliabs.peaks (0.57, 1.08, 26.57 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.45: QG2 ILE 58 + QD2 LEU 26 OK 45 100 - 45 - 8275/3.1=8, 1563/2.1=7...(17) Peak 10573 from aliabs.peaks (0.36, 1.08, 26.57 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.47: QD2 LEU 42 + QD2 LEU 26 OK 36 98 - 37 - 8813/8799=17...(8) QD1 ILE 91 + QD2 LEU 26 OK 17 77 - 22 - ~10575=4, ~10906=4...(7) HG2 LYS 123 - QD2 LEU 26 lone 2 62 - 3 - Peak 10574 from aliabs.peaks (0.02, 1.08, 26.57 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.57: QD1 LEU 39 + QD2 LEU 26 OK 57 77 - 74 - 10907/2.1=15...(17) Peak 10575 from aliabs.peaks (0.95, 1.20, 24.08 ppm; 2.95 A): 3 out of 4 assignments used, quality = 0.75: QG2 VAL 63 + QD1 LEU 26 OK 50 99 - 51 - 10906=17, ~11455=6...(13) HG3 ARG 35 + QD1 LEU 26 OK 41 72 - 57 - 1.8/273=14, 10864/4.0=9...(22) QG2 ILE 91 + QD1 LEU 26 OK 15 98 - 15 - 10906=5, 10544/4.0=2...(4) QG1 VAL 53 - QD1 LEU 26 lone 6 68 - 10 - 10867/4.8=2, 10580/2.1=1 Peak 10576 from aliabs.peaks (0.69, 1.20, 24.08 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 39 + QD1 LEU 26 OK 81 100 - 81 - 2.1/10907=23, 10913=19...(20) QD2 LEU 66 + QD1 LEU 26 OK 66 96 - 68 - 10913=17, 2.1/10577=16...(16) QD1 ILE 83 + QD1 LEU 26 OK 17 77 - 22 - 10913=5, ~10761=2...(8) Peak 10577 from aliabs.peaks (0.60, 1.20, 24.08 ppm; 3.81 A): 3 out of 3 assignments used, quality = 0.89: QD1 LEU 66 + QD1 LEU 26 OK 79 100 - 79 - 2.1/10576=16...(19) QD1 LEU 132 + QD1 LEU 26 OK 39 100 - 39 - 10914=8, 10547/4.0=5...(10) QG1 VAL 71 + QD1 LEU 26 OK 19 81 - 23 - 10914=5, 8529/10552=3...(7) Peak 10578 from aliabs.peaks (0.04, 1.20, 24.08 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 39 + QD1 LEU 26 OK 94 100 - 95 - 10907=50, 10915/2.1=35...(20) Peak 10579 from aliabs.peaks (0.88, 1.69, 26.80 ppm; 3.75 A): 10 out of 16 assignments used, quality = 0.94: QG2 ILE 56 + HG LEU 26 OK 44 85 - 51 - ~10595=14, ~10428=13...(16) QD1 LEU 97 + HG LEU 26 OK 41 62 - 65 - 2.1/3220=9, 3.2/3206=6...(22) QD1 LEU 97 + HG LEU 97 OK 33 33 - 100 - 2.1=100 QG2 ILE 101 + HG LEU 97 OK 29 43 - 69 - 3222/2.1=7, ~10108=7...(34) QD1 ILE 101 + HG LEU 97 OK 23 36 - 64 - 10130/3.0=9, 3222/2.1=8...(27) QG2 ILE 56 + HG LEU 97 OK 17 49 - 36 - ~9129=6, 11010/3.0=5...(16) QG2 ILE 83 + HG LEU 97 OK 15 33 - 46 - ~11006=9, 3.2/10761=6...(17) QD1 LEU 64 + HG LEU 97 OK 14 43 - 33 - ~9130=5, ~9130=5...(15) QG2 ILE 83 + HG LEU 26 OK 12 62 - 20 - ~10571=5, 3.2/10761=3...(7) QG2 ILE 136 + HG LEU 97 OK 12 36 - 33 - 3222/2.1=3, ~4606=3...(17) QG2 ILE 101 - HG LEU 26 poor 9 77 - 11 - ~10908=1, 3.1/10179=1...(4) QD1 LEU 64 - HG LEU 26 poor 8 77 - 11 - ~10569=2, 2.1/10960=1, ~10906=1 HB3 LEU 42 - HG LEU 26 lone 8 81 - 10 - ~10573=8 QD1 ILE 101 - HG LEU 26 poor 8 68 - 11 - 10908/2.1=2, 10179=1, ~10908=1 QG2 ILE 136 - HG LEU 26 lone 3 68 - 5 - 10908/2.1=1 HB3 LEU 42 - HG LEU 97 lone 3 46 - 6 - Peak 10580 from aliabs.peaks (0.94, 1.69, 26.80 ppm; 4.52 A): 6 out of 10 assignments used, quality = 0.93: QG2 VAL 63 + HG LEU 26 OK 54 81 - 67 - 2.1/11455=23...(12) QG1 VAL 63 + HG LEU 26 OK 49 77 - 64 - 11455=17, ~10575=15...(12) HB2 LEU 108 + HG LEU 26 OK 39 62 - 62 - 1.8/264=10, 10906/2.1=8...(20) QG1 VAL 53 + HG LEU 26 OK 25 94 - 26 - 8239/5.3=7...(9) QG2 ILE 91 + HG LEU 26 OK 22 100 - 22 - 10575/2.1=6, ~10573=5...(6) QG2 VAL 63 + HG LEU 97 OK 10 46 - 23 - 2.1/11455=7, ~10107=3...(7) HB2 LEU 108 - HG LEU 97 poor 9 33 - 28 - ~11018=7, 1.8/264=2...(14) QG1 VAL 63 - HG LEU 97 poor 8 43 - 19 - 11455=5, ~10107=3...(6) QG2 ILE 91 - HG LEU 97 lone 6 64 - 10 - ~9128=2, 4.0/10140=2 QG1 VAL 53 - HG LEU 97 lone 3 56 - 6 - Peak 10581 from aliabs.peaks (2.14, 4.07, 57.19 ppm; 3.99 A): 0 out of 7 assignments used, low quality = 0.41: HG3 PRO 118 - HA LYS 34 OK 24 94 - 26 - 3978=3, 1.8/3970=3...(13) HB VAL 53 - HA LYS 34 OK 22 92 - 24 - 2.1/10865=4, 2.1/1397=4...(8) HB2 GLN 133 - HA LYS 34 lone 7 98 - 7 - 4.0/7678=2, 4.5/7713=1 HB3 GLN 133 - HA LYS 34 lone 7 96 - 7 - 4.0/7678=2, 4.5/7713=1 HB2 GLU 75 - HA LYS 34 lone 4 92 - 4 - HG2 GLN 111 - HA LYS 34 lone 1 85 - 1 - HG2 GLU 81 - HA LYS 34 lone 1 62 - 1 - Peak 10582 from aliabs.peaks (2.23, 4.07, 57.19 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.45: HG2 GLU 37 + HA LYS 34 OK 38 81 - 47 - 1.8/9799=19, 3.0/10766=9...(10) HB3 PRO 12 + HA LYS 34 OK 12 68 - 17 - 10808/4.7=4, 10808/4.7=4...(5) HB2 GLU 28 - HA LYS 34 lone 7 100 - 7 - 10808/4.7=3, 10808/4.7=3 HG2 GLU 28 - HA LYS 34 lone 5 98 - 6 - 10808/4.7=2, 10808/4.7=2 Peak 10583 from aliabs.peaks (2.00, 1.08, 26.57 ppm; 4.00 A): 7 out of 10 assignments used, quality = 0.85: HB VAL 63 + QD2 LEU 26 OK 60 100 - 60 - ~11455=13, ~10575=12...(11) QE MET 113 + QD2 LEU 26 OK 28 100 - 28 - 11045/10571=7...(9) HG3 GLU 122 + QD2 LEU 26 OK 17 89 - 19 - 9456/2.1=4, 1.8/277=2...(7) HB3 GLU 90 + QD2 LEU 26 OK 13 100 - 13 - ~10972=3, 2925/3.8=2...(5) HB3 ARG 124 + QD2 LEU 26 OK 11 81 - 14 - 3.0/278=3, 3.0/11465=2...(5) QE MET 59 + QD2 LEU 26 OK 11 99 - 11 - 10409/10595=3...(3) HB2 GLN 111 + QD2 LEU 26 OK 10 85 - 12 - 4.6/10898=9 HB2 GLU 90 - QD2 LEU 26 poor 9 72 - 13 - ~10972=3, 3.0/276=1...(5) QE MET 11 - QD2 LEU 26 lone 7 89 - 7 - 10947/10555=1, ~10568=1 HG3 PRO 52 - QD2 LEU 26 lone 3 99 - 3 - Peak 10584 from aliabs.peaks (1.97, 1.20, 24.08 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.81: HB2 LYS 34 + QD1 LEU 26 OK 69 98 - 70 - 4.6/10876=11, 3.0/240=9...(29) HB2 LYS 61 + QD1 LEU 26 OK 24 81 - 30 - 1.8/269=5, ~277=3...(12) HB3 GLU 75 + QD1 LEU 26 OK 20 81 - 25 - 4.4/10552=19, 10170/3504=1 HB3 MET 11 - QD1 LEU 26 lone 8 99 - 8 - 3.0/10568=2 Peak 10585 from aliabs.peaks (0.93, 2.40, 33.42 ppm; 3.60 A): 4 out of 5 assignments used, quality = 0.97: QG1 VAL 63 + HG3 GLN 25 OK 76 100 - 77 - 8361/1.8=27, 9836/3.5=13...(18) QD2 LEU 29 + HG3 GLN 25 OK 56 81 - 69 - 10532/1.8=20, ~9778=12...(15) QG2 ILE 91 + HG3 GLN 25 OK 52 81 - 64 - 10586/1.8=10, 2964=6...(26) QG1 VAL 53 + HG3 GLN 25 OK 45 100 - 45 - 2.1/8245=11, 10586/1.8=6...(16) HB2 LEU 108 - HG3 GLN 25 OK 17 96 - 18 - 10935/3.5=3, 10936/3.5=2...(7) Peak 10586 from aliabs.peaks (0.94, 2.37, 33.42 ppm; 3.54 A): 4 out of 5 assignments used, quality = 0.97: QG1 VAL 63 + HG2 GLN 25 OK 74 94 - 78 - 8361=31, 9836/3.5=12...(18) QG2 ILE 91 + HG2 GLN 25 OK 65 94 - 69 - 2.1/223=8, 10937/1.8=8...(33) QG1 VAL 53 + HG2 GLN 25 OK 42 100 - 42 - ~8245=7, 10585/1.8=6...(16) QD2 LEU 29 + HG2 GLN 25 OK 41 62 - 66 - 2.1/9778=17, 10532=16...(15) HB2 LEU 108 - HG2 GLN 25 OK 14 85 - 16 - 10935/3.5=2, 10585/1.8=2...(8) Peak 10587 from aliabs.peaks (0.93, 2.10, 28.45 ppm; 4.33 A): 4 out of 5 assignments used, quality = 0.99: QG1 VAL 63 + HB3 GLN 25 OK 82 100 - 82 - 8361/2.9=28, 2.1/9829=19...(16) QD2 LEU 29 + HB3 GLN 25 OK 66 81 - 82 - 10532/2.9=20, ~9778=13...(19) QG1 VAL 53 + HB3 GLN 25 OK 60 100 - 60 - 8239/4.6=9, 1393=7...(19) QG2 ILE 91 + HB3 GLN 25 OK 57 81 - 71 - 10586/2.9=10...(24) HB2 LEU 108 - HB3 GLN 25 OK 20 96 - 20 - 10935/4.4=3, 10939/1.8=3...(8) Peak 10588 from aliabs.peaks (0.93, 2.18, 28.45 ppm; 5.09 A): 4 out of 12 assignments used, quality = 1.00: QG1 VAL 63 + HB2 GLN 25 OK 87 100 - 88 - 8361/2.9=34, 9836/4.4=21...(14) QD2 LEU 29 + HB2 GLN 25 OK 84 92 - 92 - 10532/2.9=29...(22) QG1 VAL 53 + HB2 GLN 25 OK 64 98 - 65 - 8239/4.6=11, ~8245=10...(17) QG2 ILE 91 + HB2 GLN 25 OK 52 68 - 77 - 10586/2.9=11...(24) HB2 LEU 108 - HB2 GLN 25 OK 24 100 - 24 - 10935/4.4=4, 10936/4.4=4...(8) QD2 LEU 29 - HB3 LYS 86 OK 22 50 - 44 - 372/3.0=6, ~380=6...(12) HB2 LEU 64 - HB2 GLN 25 OK 18 72 - 24 - 10938/1.8=4, 10940/2.9=3...(10) QG1 VAL 63 - HB3 LYS 86 OK 10 61 - 16 - ~10956=3, 2.1/9830=3...(5) QG1 VAL 53 - HB3 LYS 86 lone 5 56 - 8 - ~9840=2 HB2 LEU 108 - HB3 LYS 86 lone 4 59 - 7 - ~8873=4 QG2 ILE 91 - HB3 LYS 86 lone 2 34 - 7 - HB2 LEU 64 - HB3 LYS 86 lone 2 37 - 4 - ~10625=1 Peak 10589 from aliabs.peaks (0.93, 4.06, 58.58 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.94: QG1 VAL 63 + HA GLN 25 OK 63 100 - 63 - 8361/3.9=19, 9872/2.9=10...(11) QD2 LEU 29 + HA GLN 25 OK 62 92 - 68 - 10532/3.9=17...(17) QG1 VAL 53 + HA GLN 25 OK 38 98 - 39 - 8239/3.6=9, 10587/2.9=5...(13) QG2 ILE 91 + HA GLN 25 OK 33 68 - 49 - 2.1/199=7, 10586/3.9=6...(15) HB2 LEU 108 - HA GLN 25 OK 14 100 - 14 - 10938/2.9=2, 10939/2.9=2...(6) HB2 LEU 64 - HA GLN 25 poor 10 72 - 14 - 10938/2.9=2, 10939/2.9=2...(5) Peak 10590 from aliabs.peaks (4.53, 2.00, 16.84 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.51: HA ASP 13 + QE MET 11 OK 32 94 - 34 - 3.0/9763=15, 3.0/8007=11...(8) HA TYR 115 + QE MET 11 OK 28 100 - 28 - 2.9/10945=17...(5) HA PRO 98 - QE MET 11 lone 4 68 - 6 - 2.3/44=1 HA GLU 28 - QE MET 11 lone 2 62 - 3 - Peak 10591 from aliabs.peaks (3.97, 2.00, 16.84 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.56: HA ALA 60 + QE MET 11 OK 28 77 - 37 - 4.8/8016=14, ~8328=11...(8) HA3 GLY 94 + QE MET 11 OK 22 77 - 29 - 1.8/8017=8, ~8018=7...(5) HA LYS 48 + QE MET 11 OK 21 96 - 21 - 3.8/10599=7, 3.8/10598=4...(4) HA GLU 75 - QE MET 11 poor 10 81 - 12 - 3.9/11046=3 HB3 SER 103 - QE MET 11 lone 8 94 - 8 - 1.8/10153=4 HA PHE 106 - QE MET 11 poor 8 62 - 13 - 3.6/9240=5, 3.0/10946=2 HA3 GLY 143 - QE MET 11 lone 4 92 - 4 - Peak 10592 from aliabs.peaks (3.73, 2.00, 16.84 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.25: HA LEU 108 - QE MET 11 OK 25 100 - 25 - 3473=5, 3.7/10598=5...(8) HA2 GLY 15 - QE MET 11 lone 4 85 - 5 - 9760/5.1=1 Peak 10594 from aliabs.peaks (6.87, 2.00, 16.84 ppm; 4.58 A): 0 out of 2 assignments used, low quality = 0.27: HD2 HIS 14 - QE MET 11 OK 27 100 - 27 - 4.0/10670=15, 4.0/9764=9 HZ PHE 23 - QE MET 11 lone 5 99 - 4 - 10840/10946=2 Peak 10595 from aliabs.peaks (7.03, 2.00, 16.84 ppm; 4.86 A): 0 out of 1 assignment used, low quality = 0.11: HZ PHE 67 - QE MET 11 OK 11 72 - 15 - 5.8/9762=10, 5.8/10946=4 Peak 10596 from aliabs.peaks (7.82, 2.00, 16.84 ppm; 4.63 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10597 from aliabs.peaks (8.07, 2.00, 16.84 ppm; 4.68 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10598 from aliabs.peaks (1.60, 2.00, 16.84 ppm; 3.29 A): 3 out of 10 assignments used, quality = 0.52: HD2 LYS 61 + QE MET 11 OK 22 94 - 24 - 3.0/9764=7, 3.0/9764=7...(4) HD3 LYS 61 + QE MET 11 OK 22 92 - 24 - 3.0/9764=7, 3.0/9764=7...(4) HB2 LEU 97 + QE MET 11 OK 21 100 - 21 - 3.2/9129=5, 3.1/10130=4...(6) HG LEU 108 - QE MET 11 lone 8 99 - 9 - 3.7/10592=5, 2.1/10169=1 HG3 LYS 48 - QE MET 11 lone 8 81 - 9 - 1.8/10599=4, 3.8/10591=1 HG2 ARG 141 - QE MET 11 lone 5 100 - 5 - HB2 LEU 79 - QE MET 11 lone 2 92 - 2 - HG2 ARG 144 - QE MET 11 lone 2 100 - 2 - HG3 ARG 49 - QE MET 11 lone 1 81 - 2 - HG3 ARG 144 - QE MET 11 lone 1 72 - 1 - Peak 10599 from aliabs.peaks (1.43, 2.00, 16.84 ppm; 4.08 A): 3 out of 4 assignments used, quality = 0.51: HG12 ILE 91 + QE MET 11 OK 36 92 - 40 - 1.8/10600=26, 3.0/46=4...(6) HD2 LYS 114 + QE MET 11 OK 15 94 - 15 - 2.9/10600=5...(4) HG2 LYS 48 + QE MET 11 OK 10 81 - 12 - 1.8/10598=4, 3.8/10591=2...(4) HG2 LYS 24 - QE MET 11 poor 9 72 - 13 - 3.0/43=3, ~10894=2, ~11372=1 Peak 10600 from aliabs.peaks (1.07, 2.00, 16.84 ppm; 3.88 A): 0 out of 4 assignments used, low quality = 0.32: HG13 ILE 91 - QE MET 11 OK 32 99 - 32 - 1.8/10599=18, 3.0/46=4...(5) HG3 LYS 114 - QE MET 11 poor 8 68 - 11 - 2.9/10599=6, 2975/10599=1 HG2 ARG 35 - QE MET 11 lone 7 77 - 9 - 1.8/10601=4, 10919=1 HB2 LEU 116 - QE MET 11 lone 3 72 - 4 - 2975/10599=1 Peak 10601 from aliabs.peaks (0.97, 2.00, 16.84 ppm; 4.66 A): 0 out of 4 assignments used, low quality = 0.44: QD1 LEU 29 - QE MET 11 OK 35 98 - 36 - 2.1/10534=12, 9778/3.3=9...(7) QG2 THR 51 - QE MET 11 OK 14 99 - 14 - 8228=5, 11513/9763=1...(5) HG3 ARG 35 - QE MET 11 poor 10 85 - 11 - 1.8/10600=7 HB2 LEU 39 - QE MET 11 lone 4 94 - 4 - 11525/9762=1 Peak 10602 from aliabs.peaks (4.35, 4.53, 53.36 ppm; 5.06 A): 2 out of 4 assignments used, quality = 0.51: HA TYR 70 + HA ASP 13 OK 41 96 - 42 - 10951/3.0=15...(7) HA ILE 56 + HA ASP 13 OK 17 89 - 19 - 3.0/8005=6, ~8007=5...(5) HB THR 51 - HA ASP 13 lone 2 94 - 3 - 10487/10488=1 HA ASP 65 - HA ASP 13 lone 1 81 - 1 - Peak 10603 from aliabs.peaks (7.77, 4.52, 55.94 ppm; 4.22 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10604 from aliabs.peaks (7.77, 2.92, 30.44 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10605 from aliabs.peaks (3.73, 4.66, 53.91 ppm; 5.31 A): 0 out of 3 assignments used, low quality = 0.00: HA LEU 108 - HA ASP 16 lone 3 100 - 3 - HA2 GLY 15 - HA ASP 16 lone 1 92 - 1 - QA GLY 2 - HA ASP 16 lone 1 62 - 1 - Peak 10606 from aliabs.peaks (1.41, 4.41, 64.61 ppm; 5.43 A): 2 out of 6 assignments used, quality = 0.78: HG2 LYS 36 + HA PRO 33 OK 69 89 - 78 - 3.0/10791=29...(19) HB2 ARG 35 + HA PRO 33 OK 29 96 - 30 - 4.3/10787=21...(4) HG3 LYS 93 - HA PRO 33 lone 7 100 - 7 - 676/10791=1 HG LEU 116 - HA PRO 33 lone 6 92 - 6 - 676/10791=2, 6196/10787=1 HG2 ARG 49 - HA PRO 33 lone 6 62 - 9 - 10797/3.6=3, 676/10791=1 HD2 LYS 114 - HA PRO 33 lone 4 72 - 5 - 6196/10787=1 Peak 10607 from aliabs.peaks (1.50, 2.43, 31.77 ppm; 4.88 A): 3 out of 15 assignments used, quality = 1.00: HG2 LYS 34 + HB3 PRO 33 OK 98 100 - 98 - 515/4.3=27, 10994/2.3=23...(47) HG3 PRO 57 + HB3 PRO 33 OK 56 68 - 82 - ~11514=14, ~9793=13...(24) HG2 LYS 34 + HG2 MET 11 OK 55 84 - 65 - ~38=8, 517/3.0=8, ~38=6...(29) HG13 ILE 101 - HB3 PRO 33 OK 33 72 - 46 - ~9180=7, 10994/2.3=7...(11) HG2 LYS 34 - HG2 MET 68 OK 22 97 - 23 - 10802/4.4=7, 5.0/6158=3...(7) HG13 ILE 101 - HG2 MET 11 OK 14 55 - 25 - ~9181=11, ~9186=4...(5) HG13 ILE 101 - HG2 MET 68 OK 12 68 - 17 - ~1965=2, ~1989=1...(6) HG3 PRO 57 - HG2 MET 68 poor 9 63 - 14 - HD3 LYS 114 - HB3 PRO 33 poor 7 68 - 10 - 6166/4.3=2, 10994/2.3=2 HD3 LYS 114 - HG2 MET 11 poor 6 51 - 12 - ~10599=5, ~10600=3 HB2 LYS 123 - HB3 PRO 33 lone 4 89 - 4 - HG3 PRO 57 - HG2 MET 11 lone 4 51 - 7 - ~10664=2 HD3 LYS 114 - HG2 MET 68 lone 3 63 - 4 - HB2 LYS 123 - HG2 MET 11 lone 2 70 - 3 - HB2 LYS 123 - HG2 MET 68 lone 2 84 - 2 - Peak 10609 from aliabs.peaks (1.51, 2.10, 27.24 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.97: HG2 LYS 34 + HG2 PRO 33 OK 94 98 - 96 - 1.8/10610=20, 5.0/473=18...(47) HG3 PRO 57 + HG2 PRO 33 OK 53 94 - 56 - ~9793=13, 3.8/466=13...(15) HB2 LYS 123 - HG2 PRO 33 lone 4 100 - 4 - Peak 10610 from aliabs.peaks (1.64, 2.10, 27.24 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.95: HG3 LYS 34 + HG2 PRO 33 OK 83 89 - 94 - 1.8/10609=22, 5.0/473=16...(46) HB3 LEU 26 + HG2 PRO 33 OK 50 89 - 56 - 3.0/471=7, 3.9/6075=6...(26) HD2 LYS 24 + HG2 PRO 33 OK 36 89 - 41 - ~10894=8, 11312/2.3=7...(11) HB2 LYS 114 - HG2 PRO 33 lone 5 72 - 7 - 3.6/10994=1, 10199/10809=1 HB3 LEU 64 - HG2 PRO 33 lone 4 89 - 4 - 520/10609=1 Peak 10611 from aliabs.peaks (3.04, 2.10, 27.24 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.78: HE2 LYS 36 + HG2 PRO 33 OK 50 68 - 75 - 3.9/686=10, 3.9/697=9...(27) HE3 LYS 36 + HG2 PRO 33 OK 46 62 - 75 - 3.9/686=10, 3.9/697=9...(27) HB2 PHE 67 + HG2 PRO 33 OK 16 77 - 21 - ~8417=5, ~8417=4...(6) HB3 ASP 65 - HG2 PRO 33 lone 6 100 - 6 - HB2 HIS 10 - HG2 PRO 33 lone 5 98 - 5 - Peak 10612 from aliabs.peaks (5.27, 2.10, 32.12 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.13: HA ASN 128 - HB3 LYS 36 OK 13 92 - 14 - 2.9/9500=4, 4.6/9512=4, 9505=1 Peak 10613 from aliabs.peaks (6.56, 2.10, 32.12 ppm; 4.69 A): 0 out of 1 assignment used, low quality = 0.43: QE TYR 117 - HB3 LYS 36 OK 43 100 - 43 - ~10794=16, 10796/3.0=15...(5) Peak 10614 from aliabs.peaks (6.66, 2.10, 32.12 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.64: QE TYR 27 + HB3 LYS 36 OK 64 68 - 95 - 4789/3.0=37...(18) Peak 10615 from aliabs.peaks (4.39, 3.02, 42.13 ppm; 4.12 A): 0 out of 2 assignments used, low quality = 0.00: HA ASP 30 - HE2 LYS 36 lone 3 100 - 3 - 10792/3.0=1 HA ASP 30 - HE3 LYS 36 lone 2 99 - 3 - 10792/3.0=1 Peak 10617 from aliabs.peaks (2.04, 3.02, 42.13 ppm; 4.23 A): 6 out of 10 assignments used, quality = 0.95: HB2 GLU 37 + HE3 LYS 36 OK 42 81 - 51 - ~11486=14, ~11469=13...(17) HB2 GLU 37 + HE2 LYS 36 OK 42 81 - 51 - ~11486=14, ~11469=13...(17) HB2 PRO 33 + HE3 LYS 36 OK 39 100 - 39 - ~10611=5, ~9790=4...(19) HB2 PRO 33 + HE2 LYS 36 OK 39 100 - 39 - ~10611=4, ~9790=4...(19) HB3 GLU 37 + HE3 LYS 36 OK 37 72 - 52 - ~11486=14, ~11469=13...(17) HB3 GLU 37 + HE2 LYS 36 OK 37 72 - 52 - ~11486=14, ~11469=13...(17) HB3 LYS 34 - HE2 LYS 36 lone 8 96 - 8 - 4.6/11671=6 HB3 LYS 34 - HE3 LYS 36 lone 8 96 - 8 - 4.6/11671=6 HG2 PRO 98 - HE2 LYS 36 lone 1 91 - 2 - HG2 PRO 98 - HE3 LYS 36 lone 1 92 - 2 - Peak 10618 from aliabs.peaks (7.78, 3.04, 30.34 ppm; 5.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10619 from aliabs.peaks (1.03, 3.21, 34.70 ppm; 5.44 A): 2 out of 3 assignments used, quality = 0.97: QG2 VAL 53 + HG3 MET 46 OK 85 100 - 85 - 8241/3.0=28...(17) QD2 LEU 116 + HG3 MET 46 OK 84 96 - 87 - ~9374=21, 10496/1.8=14...(20) QD2 LEU 69 - HG3 MET 46 OK 43 92 - 47 - 10497/3.0=9, 2.1/9929=9...(9) Peak 10620 from aliabs.peaks (0.54, 3.21, 34.70 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.89: QD1 LEU 42 + HG3 MET 46 OK 81 92 - 88 - 10701/3.3=42, 11008=38...(17) QD1 ILE 58 + HG3 MET 46 OK 43 100 - 43 - 10714/5.1=21...(4) Peak 10621 from aliabs.peaks (1.79, 0.89, 17.24 ppm; 3.46 A): 4 out of 16 assignments used, quality = 0.95: HG2 PRO 57 + QG2 ILE 56 OK 72 94 - 77 - 11009=18, 2.3/8251=17...(24) HD2 LYS 34 + QG2 ILE 101 OK 48 100 - 49 - 2.9/3341=6, 3.4/10128=5...(25) HD3 LYS 34 + QG2 ILE 101 OK 45 94 - 48 - 2.9/3341=6, 3.4/10128=5...(25) HG2 PRO 57 + QG2 ILE 101 OK 30 96 - 31 - 2.3/8263=5, 10631=4...(10) HD2 LYS 34 - QG2 ILE 56 OK 19 99 - 19 - 1.8/11009=2, 3.4/1459=2...(5) HD3 LYS 34 - QG2 ILE 56 OK 18 92 - 20 - 11009=3, 1.8/11009=2...(5) HB3 ARG 55 - QG2 ILE 56 OK 14 79 - 18 - 1414/4.0=12, 11009=5 HG LEU 72 - QG2 ILE 56 poor 9 83 - 10 - 11009=2, 3.0/1461=1 HB3 LEU 72 - QG2 ILE 56 poor 9 60 - 14 - 4.4/10604=4, 3.0/11009=2 HB3 ARG 145 - QG2 ILE 56 lone 6 99 - 6 - HG LEU 72 - QG2 ILE 101 lone 5 85 - 6 - HD3 LYS 86 - QG2 ILE 101 lone 5 94 - 5 - HD3 LYS 86 - QG2 ILE 56 lone 4 92 - 5 - 1492/4.2=1, 1500/4.2=1 HB3 ARG 55 - QG2 ILE 101 lone 4 81 - 5 - 8249=2, 8249/3.1=2 HB3 ARG 145 - QG2 ILE 101 lone 3 100 - 3 - HB3 LEU 72 - QG2 ILE 101 lone 3 62 - 5 - Peak 10622 from aliabs.peaks (1.62, 0.89, 17.24 ppm; 3.30 A): 5 out of 22 assignments used, quality = 0.96: HB2 LEU 87 + QG2 ILE 101 OK 55 99 - 56 - 3.0/10133=12...(22) HB2 LEU 97 + QG2 ILE 101 OK 53 81 - 65 - 1.8/3208=8, 3201=8...(31) HB3 LEU 64 + QG2 ILE 56 OK 45 74 - 61 - 11010=14, 3.1/1463=6...(27) HG3 LYS 34 + QG2 ILE 101 OK 41 77 - 54 - 1.8/3341=7, 10178/3.1=6...(23) HG LEU 108 + QG2 ILE 56 OK 33 86 - 39 - 11010=9, ~10170=5...(17) HB2 LEU 97 - QG2 ILE 56 OK 29 79 - 36 - 11010=8, 1.8/3208=4...(15) HD2 LYS 24 - QG2 ILE 101 OK 23 77 - 30 - 3.0/10133=7, ~10177=3...(11) HG3 LYS 48 - QG2 ILE 101 OK 13 100 - 13 - 10469/3.2=1 HG3 LYS 34 - QG2 ILE 56 OK 11 74 - 14 - 2.9/1459=2, 2.9/11009=2...(6) HB2 LEU 87 - QG2 ILE 56 lone 7 97 - 8 - 11010=2, 3.0/10133=1 HB3 LEU 64 - QG2 ILE 101 lone 7 77 - 9 - 3.1/1463=1 HG2 ARG 141 - QG2 ILE 101 lone 6 85 - 7 - HG LEU 108 - QG2 ILE 101 lone 6 89 - 6 - HG3 ARG 49 - QG2 ILE 101 lone 5 100 - 5 - HG3 ARG 49 - QG2 ILE 56 lone 4 99 - 4 - HG3 ARG 144 - QG2 ILE 56 lone 3 99 - 3 - HG3 ARG 144 - QG2 ILE 101 lone 3 100 - 3 - HG3 LYS 48 - QG2 ILE 56 lone 3 99 - 3 - HG2 ARG 141 - QG2 ILE 56 lone 3 83 - 3 - HD2 LYS 24 - QG2 ILE 56 lone 2 74 - 3 - HG2 ARG 144 - QG2 ILE 101 lone 2 68 - 2 - HG2 ARG 144 - QG2 ILE 56 lone 2 65 - 2 - Peak 10623 from aliabs.peaks (1.48, 0.65, 25.42 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.75: HB3 LEU 29 + QD2 LEU 64 OK 71 100 - 71 - 3.0/8373=14...(24) HB2 LYS 76 + QD2 LEU 64 OK 15 92 - 16 - 3.0/11012=2, 3.5/11012=2 HD3 LYS 114 - QD2 LEU 64 poor 10 92 - 11 - 9341/10282=3 QB ALA 134 - QD2 LEU 64 lone 9 100 - 9 - 4.0/11012=2, ~9651=1 HG13 ILE 101 - QD2 LEU 64 poor 9 89 - 11 - 3.2/1463=2 Peak 10624 from aliabs.peaks (1.01, 0.65, 25.42 ppm; 2.97 A): 3 out of 3 assignments used, quality = 0.61: QD1 LEU 116 + QD2 LEU 64 OK 36 100 - 36 - 11015=26, 10228/11376=2...(4) QD2 LEU 69 + QD2 LEU 64 OK 27 77 - 35 - 2.1/11376=11, 8478=7...(7) HG12 ILE 136 + QD2 LEU 64 OK 18 96 - 18 - 11015=12 Peak 10625 from aliabs.peaks (1.38, 0.65, 25.42 ppm; 4.06 A): 5 out of 7 assignments used, quality = 0.78: HB2 LEU 69 + QD2 LEU 64 OK 47 96 - 48 - 3.2/11376=14...(7) HB3 LEU 39 + QD2 LEU 64 OK 30 100 - 30 - 1.8/11015=11...(11) HB VAL 82 + QD2 LEU 64 OK 19 68 - 29 - ~8880=5, ~8881=5...(8) HB3 ARG 49 + QD2 LEU 64 OK 16 72 - 22 - 4.7/9847=4, 3.0/1843=2...(6) HB2 ARG 109 + QD2 LEU 64 OK 11 77 - 15 - 3.0/9272=9, 9273=1 HG LEU 132 - QD2 LEU 64 lone 9 100 - 9 - 9334/10662=2, 10660/1846=2 HG2 LYS 86 - QD2 LEU 64 lone 7 72 - 10 - 3.0/9879=1, 2710/8267=1 Peak 10626 from aliabs.peaks (1.52, 0.87, 22.38 ppm; 3.85 A): 3 out of 5 assignments used, quality = 0.89: HG3 PRO 57 + QD1 LEU 64 OK 79 100 - 79 - ~8267=21, 1.8/11016=16...(18) HG2 LYS 34 + QD1 LEU 64 OK 42 89 - 47 - 1.8/1851=8, ~1843=5...(18) HB2 LYS 123 + QD1 LEU 64 OK 12 100 - 12 - 11012/2.1=2, ~9840=1...(4) HB2 GLU 122 - QD1 LEU 64 lone 5 72 - 7 - HG3 LYS 85 - QD1 LEU 64 lone 5 72 - 7 - 10014/8376=1 Peak 10627 from aliabs.peaks (1.77, 0.87, 22.38 ppm; 3.13 A): 4 out of 7 assignments used, quality = 0.85: HB ILE 83 + QD1 LEU 64 OK 61 99 - 62 - 3.0/8376=17, 2509=11...(18) HB3 MET 59 + QD1 LEU 64 OK 48 100 - 48 - 1.8/8299=9, 3.0/8301=7...(14) HG LEU 39 + QD1 LEU 64 OK 14 100 - 14 - ~11015=2, 11011/2.1=2...(6) HG LEU 66 + QD1 LEU 64 OK 12 68 - 18 - ~9857=9, ~9891=4, 2.1/9864=3 HG LEU 72 - QD1 LEU 64 lone 9 89 - 10 - 11011/2.1=2 HB3 ARG 35 - QD1 LEU 64 lone 6 94 - 6 - 8389/5.0=1 HB3 ARG 55 - QD1 LEU 64 lone 4 92 - 4 - 4.4/6515=2 Peak 10628 from aliabs.peaks (1.53, 1.15, 27.00 ppm; 3.74 A): 4 out of 8 assignments used, quality = 0.91: HG3 PRO 57 + HG LEU 64 OK 68 92 - 74 - ~8267=19, 10626/2.1=12...(18) HB2 LEU 29 + HG LEU 64 OK 65 94 - 69 - 3.2/8074=14, ~10623=14...(21) HG3 LYS 76 + HG LEU 64 OK 13 96 - 14 - 8661/8979=3, 11012/2.1=3...(5) QB ALA 135 + HG LEU 64 OK 12 81 - 15 - 11017/2.1=3, 11012/2.1=2...(6) HB2 LYS 123 - HG LEU 64 poor 8 72 - 11 - 11012/2.1=2, 10626/2.1=2...(5) HB2 GLU 122 - HG LEU 64 lone 7 100 - 7 - 3.0/9453=1, 11017/2.1=1 HG3 LYS 85 - HG LEU 64 lone 6 100 - 6 - 11012/2.1=1, 11017/2.1=1 HG2 LYS 93 - HG LEU 64 lone 6 72 - 8 - ~11014=2, 4.0/10090=2 Peak 10629 from aliabs.peaks (1.78, 1.15, 27.00 ppm; 5.29 A): 2 out of 8 assignments used, quality = 0.97: HB ILE 83 + HG LEU 64 OK 83 92 - 90 - ~8376=30, 10627/2.1=19...(23) HB3 MET 59 + HG LEU 64 OK 80 100 - 80 - 11016/2.1=17, ~8299=17...(20) HD2 LYS 34 - HG LEU 64 OK 44 62 - 71 - ~9879=10, ~10626=9...(29) HG LEU 39 - HG LEU 64 OK 32 96 - 33 - ~11015=8, ~10625=6...(7) HG LEU 72 - HG LEU 64 OK 25 98 - 26 - ~8536=3, 11011/2.1=3...(13) HB3 ARG 35 - HG LEU 64 OK 12 81 - 15 - 11517/3.0=2, 11016/2.1=2...(5) HB3 ARG 55 - HG LEU 64 lone 6 99 - 6 - 11016/2.1=2, 11517/3.0=1 HB3 ARG 145 - HG LEU 64 lone 3 72 - 4 - Peak 10630 from aliabs.peaks (1.14, 1.80, 27.60 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.80: HG LEU 64 + HG2 PRO 57 OK 80 85 - 94 - 2.1/8267=41, 11019=33...(19) QB ALA 105 - HG2 PRO 57 lone 7 94 - 8 - 4112/1533=1 Peak 10631 from aliabs.peaks (0.89, 1.80, 27.60 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.97: QG2 ILE 56 + HG2 PRO 57 OK 89 100 - 89 - 8251/2.3=22, 8251/2.3=22...(29) QG2 ILE 136 + HG2 PRO 57 OK 77 99 - 78 - 8263/2.3=14, 11020=10...(36) QG2 ILE 101 - HG2 PRO 57 OK 42 100 - 43 - 8263/2.3=7, 8251/2.3=6...(17) QD1 ILE 101 - HG2 PRO 57 OK 37 99 - 38 - 8263/2.3=7, ~8263=4...(16) QD1 LEU 97 - HG2 PRO 57 OK 14 98 - 15 - 8263/2.3=2, 11020=2...(4) Peak 10632 from aliabs.peaks (1.61, 2.40, 32.36 ppm; 4.98 A): 4 out of 18 assignments used, quality = 1.00: HB2 LEU 97 + HG2 MET 59 OK 85 96 - 88 - ~10405=16, 10404/3.4=13...(32) HB2 LEU 97 + HG3 MET 59 OK 84 93 - 91 - ~9127=18, ~10405=16...(32) HG LEU 108 + HG2 MET 59 OK 74 99 - 75 - ~10408=28, 10404/3.4=15...(15) HG LEU 108 + HG3 MET 59 OK 71 96 - 75 - ~10408=28, 10404/3.4=15...(15) HG3 LYS 48 - HG2 MET 59 OK 43 100 - 43 - 9823=13, 9823/1.8=11...(9) HG3 LYS 48 - HG3 MET 59 OK 41 97 - 43 - 9823=13, 9823/1.8=11...(9) HG3 ARG 49 - HG2 MET 59 OK 28 100 - 28 - 3.0/10576=7, ~10576=5...(8) HG3 ARG 49 - HG3 MET 59 OK 26 97 - 27 - 3.0/10576=6, ~10576=5...(7) HB2 LEU 87 - HG2 MET 59 OK 23 89 - 26 - ~10566=4, 1.8/10412=3...(8) HB2 LEU 87 - HG3 MET 59 OK 22 85 - 26 - ~10566=4, 10404/3.4=3...(8) HG3 ARG 144 - HG2 MET 59 lone 8 98 - 8 - 10565/3.4=1 HG3 ARG 144 - HG3 MET 59 lone 7 95 - 8 - 10565/3.4=1 HG2 ARG 141 - HG2 MET 59 lone 7 98 - 7 - 10404/3.4=2, 3218/9127=1 HG2 ARG 144 - HG2 MET 59 lone 7 89 - 7 - 10404/3.4=1 HG2 ARG 144 - HG3 MET 59 lone 6 85 - 7 - 10404/3.4=1 HG2 ARG 141 - HG3 MET 59 lone 6 95 - 6 - 10404/3.4=2 HD2 LYS 61 - HG2 MET 59 lone 4 62 - 6 - HD2 LYS 61 - HG3 MET 59 lone 3 59 - 5 - Peak 10633 from aliabs.peaks (1.99, 4.18, 53.78 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.96: HB ILE 56 + HA LEU 64 OK 82 100 - 82 - 10634/3.0=18, ~11010=17...(16) HB3 GLU 75 + HA LEU 64 OK 47 92 - 51 - 10634/3.0=10...(14) HB2 GLN 111 + HA LEU 64 OK 41 92 - 45 - 9880/4.0=10...(8) HB3 ARG 124 + HA LEU 64 OK 33 94 - 35 - 9483/4.0=10, 10634/3.0=6...(10) QE MET 11 - HA LEU 64 OK 15 89 - 17 - 10600/8989=3, 9880/4.0=2...(6) HB2 GLU 142 - HA LEU 64 OK 14 100 - 14 - 10634/3.0=2, 6610/3.0=2...(5) HG3 PRO 52 - HA LEU 64 OK 10 68 - 15 - 11587/3.6=4, 6610/3.0=2...(4) Peak 10634 from aliabs.peaks (1.98, 0.92, 42.22 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.94: HB ILE 56 + HB2 LEU 64 OK 81 98 - 83 - ~11010=13, 1453/3.2=12...(26) HB3 GLU 75 + HB2 LEU 64 OK 46 99 - 46 - 8636/3.0=7, ~8629=7...(18) HB2 GLN 111 + HB2 LEU 64 OK 43 77 - 56 - ~8372=11, ~11014=11...(14) HB3 ARG 124 - HB2 LEU 64 OK 29 81 - 35 - 11013/3.1=6, ~9482=5...(12) QE MET 11 - HB2 LEU 64 OK 10 72 - 14 - 9880/3.1=2, 10534/368=1...(4) HB2 GLU 142 - HB2 LEU 64 lone 8 100 - 8 - 11023/3.0=1 Peak 10635 from aliabs.peaks (1.99, 1.63, 42.22 ppm; 5.25 A): 3 out of 20 assignments used, quality = 0.98: HB ILE 56 + HB3 LEU 64 OK 89 100 - 89 - 2.1/11010=18...(25) HB2 GLN 111 + HB3 LEU 64 OK 66 98 - 68 - ~8372=15, ~11014=14...(15) HB VAL 63 + HB3 LEU 64 OK 57 62 - 91 - ~9869=23, ~8353=21...(28) HB3 ARG 124 - HB3 LEU 64 OK 45 99 - 45 - 9483/3.1=9, ~9482=6...(12) HB3 GLU 75 - HB3 LEU 64 OK 44 81 - 54 - 10634/1.8=9, ~8629=9...(15) HB3 GLU 90 - HB2 LEU 87 OK 31 36 - 85 - ~8898=23, ~8898=20...(18) HB2 GLN 111 - HB2 LEU 87 OK 24 66 - 37 - ~8892=5, ~2786=5...(12) HB3 GLU 75 - HB2 LEU 87 OK 22 50 - 44 - ~8642=12, ~8892=10...(12) HB3 ARG 124 - HB2 LEU 87 OK 18 67 - 27 - 4214/3.0=5, ~4205=4...(7) QE MET 113 - HB3 LEU 64 OK 16 62 - 26 - 10662/3.1=9, 11023/3.0=4...(6) QE MET 11 - HB3 LEU 64 OK 16 96 - 17 - 9880/3.1=2, 10634/1.8=2...(8) HB2 GLU 142 - HB3 LEU 64 OK 12 96 - 12 - 10097/9026=2...(5) HG3 PRO 52 - HB3 LEU 64 OK 10 81 - 13 - 11587/4.4=3, 6610/3.8=1...(4) HB ILE 56 - HB2 LEU 87 poor 9 69 - 13 - 2.1/11010=2, ~10133=1...(4) HB2 GLU 142 - HB2 LEU 87 poor 9 64 - 13 - 10378/3.0=2, ~10507=2, ~10379=1 HB3 GLU 90 - HB3 LEU 64 poor 7 62 - 12 - 4.7/2784=5, 3.0/11492=2 QE MET 11 - HB2 LEU 87 lone 4 64 - 7 - QE MET 113 - HB2 LEU 87 poor 4 36 - 12 - ~8894=2, ~8894=2, 3726/11492=2 HB VAL 63 - HB2 LEU 87 poor 4 36 - 12 - 4.4/6615=4, 11023/1811=1 HG3 PRO 52 - HB2 LEU 87 lone 2 50 - 5 - Peak 10636 from aliabs.peaks (-1.12, 0.94, 17.96 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 82 + QG2 ILE 91 OK 90 94 - 96 - 11026=50, 11029/3.3=35...(22) Peak 10637 from aliabs.peaks (3.32, 1.44, 26.96 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.91: HB2 TRP 88 + HG12 ILE 91 OK 90 100 - 90 - 3.0/10067=25...(19) HD2 ARG 124 + HG12 ILE 91 OK 11 100 - 11 - 2819/10067=2...(3) HD3 ARG 109 - HG12 ILE 91 poor 9 92 - 10 - 2819/10067=2...(3) Peak 10638 from aliabs.peaks (3.21, 1.44, 26.96 ppm; 5.04 A): 2 out of 10 assignments used, quality = 0.99: HA VAL 73 + HG12 ILE 91 OK 95 96 - 99 - 8582/2.1=36, ~8978=28...(32) HG3 MET 46 + HG12 ILE 91 OK 80 92 - 87 - ~10707=15, ~10700=14...(27) HA LEU 39 - HG12 ILE 91 OK 32 94 - 33 - 3.9/11497=13, ~10759=9...(5) HD2 ARG 55 - HG12 ILE 91 OK 15 98 - 15 - ~8985=4, ~8985=4...(5) HD3 ARG 55 - HG12 ILE 91 OK 13 85 - 15 - 8985/2.1=5, ~8985=3...(5) HD3 ARG 141 - HG12 ILE 91 lone 9 100 - 8 - ~8985=2, ~8985=2...(4) HD2 ARG 141 - HG12 ILE 91 lone 8 99 - 8 - 8985/2.1=2, ~8985=1...(4) HB3 TYR 117 - HG12 ILE 91 lone 6 89 - 7 - 10639/3.2=4, 8151/8145=1 HD2 ARG 140 - HG12 ILE 91 lone 5 85 - 5 - HD3 ARG 140 - HG12 ILE 91 lone 4 85 - 5 - Peak 10639 from aliabs.peaks (3.21, 0.94, 17.96 ppm; 4.76 A): 2 out of 10 assignments used, quality = 0.98: HA VAL 73 + QG2 ILE 91 OK 93 96 - 96 - 3.0/10079=34...(33) HG3 MET 46 + QG2 ILE 91 OK 75 92 - 82 - 3.3/10700=14, ~10707=10...(28) HB3 TYR 117 - QG2 ILE 91 OK 29 89 - 33 - 4.5/8999=29 HA LEU 39 - QG2 ILE 91 OK 24 94 - 25 - 11062/3.3=6, ~10759=6...(6) HD2 ARG 55 - QG2 ILE 91 OK 17 98 - 17 - ~8985=3, ~8985=2...(8) HD3 ARG 55 - QG2 ILE 91 OK 15 85 - 18 - 8985/3.3=4, 6.4/10618=2...(9) HD2 ARG 141 - QG2 ILE 91 lone 8 99 - 8 - 8985/3.3=2, ~8985=1 HD3 ARG 141 - QG2 ILE 91 lone 8 100 - 8 - ~8985=1, 8985/3.3=1, ~8985=1 HD2 ARG 140 - QG2 ILE 91 lone 6 85 - 7 - 6.0/10083=2 HD3 ARG 140 - QG2 ILE 91 lone 6 85 - 7 - 6.0/10083=2 Peak 10640 from aliabs.peaks (2.95, 0.94, 17.96 ppm; 4.81 A): 5 out of 9 assignments used, quality = 0.78: HB2 TYR 115 + QG2 ILE 91 OK 50 100 - 51 - ~10642=12, ~10216=8...(13) HE2 LYS 93 + QG2 ILE 91 OK 28 100 - 28 - 7.3/10081=7, 3.8/2966=7...(7) HE3 LYS 93 + QG2 ILE 91 OK 20 72 - 28 - 7.3/10081=7, 3.8/2966=7...(7) HE2 LYS 48 + QG2 ILE 91 OK 12 100 - 12 - 3.6/2966=4, ~9673=1 HE3 LYS 48 + QG2 ILE 91 OK 11 96 - 12 - 3.6/2966=4, ~9673=1 HE2 LYS 85 - QG2 ILE 91 lone 5 99 - 5 - ~8980=1 HB3 PHE 67 - QG2 ILE 91 lone 5 100 - 5 - 3.0/8976=1 HE3 LYS 85 - QG2 ILE 91 lone 5 89 - 5 - ~8980=1 HB2 PHE 106 - QG2 ILE 91 lone 4 100 - 4 - ~11618=1 Peak 10641 from aliabs.peaks (3.07, 1.44, 26.96 ppm; 5.37 A): 2 out of 9 assignments used, quality = 0.96: HB3 TRP 88 + HG12 ILE 91 OK 94 100 - 94 - 1.8/10637=36...(20) HB2 TYR 27 + HG12 ILE 91 OK 35 72 - 48 - ~8044=10, ~8997=10...(11) HD3 ARG 49 - HG12 ILE 91 OK 14 96 - 14 - 2832/10637=2...(4) HE3 LYS 34 - HG12 ILE 91 OK 12 68 - 18 - ~8981=4, ~8981=3...(6) HB3 ASP 30 - HG12 ILE 91 lone 9 100 - 9 - ~10922=5, 10824/8091=2 HA2 GLY 78 - HG12 ILE 91 lone 9 94 - 9 - 8705/10649=2 HE2 LYS 86 - HG12 ILE 91 lone 5 92 - 6 - HE3 LYS 86 - HG12 ILE 91 lone 5 89 - 6 - HB3 HIS 10 - HG12 ILE 91 lone 2 77 - 3 - Peak 10642 from aliabs.peaks (2.68, 1.44, 26.96 ppm; 5.79 A): 3 out of 4 assignments used, quality = 0.69: HB3 TYR 115 + HG12 ILE 91 OK 59 85 - 69 - 2.5/9359=15, 10216=14...(13) HB2 ASP 32 + HG12 ILE 91 OK 14 72 - 19 - 4.0/8091=12, 10805=4 HB2 PHE 43 + HG12 ILE 91 OK 13 96 - 14 - ~2953=3, ~8976=2...(4) HB2 ASP 137 - HG12 ILE 91 lone 4 62 - 7 - ~8983=1, ~8973=1 Peak 10644 from aliabs.peaks (-1.13, 2.40, 35.83 ppm; 5.98 A): 1 out of 1 assignment used, quality = 0.75: QG1 VAL 82 + HB ILE 91 OK 75 77 - 98 - 10647/3.2=49...(16) Peak 10645 from aliabs.peaks (-1.11, 1.44, 26.96 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 82 + HG12 ILE 91 OK 97 100 - 98 - 11028/1.8=50...(16) Peak 10646 from aliabs.peaks (-1.11, 1.06, 26.96 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 82 + HG13 ILE 91 OK 98 100 - 98 - 11029/2.1=50, 11028=50...(18) Peak 10647 from aliabs.peaks (-1.12, 0.34, 10.47 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.78: QG1 VAL 82 + QD1 ILE 91 OK 78 89 - 88 - 11029=44, 11028/2.1=24...(19) Peak 10648 from aliabs.peaks (0.13, 0.94, 17.96 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.79: QG1 VAL 73 + QG2 ILE 91 OK 79 81 - 97 - 4.0/10079=33, ~8593=27...(34) Peak 10649 from aliabs.peaks (0.78, 1.44, 26.96 ppm; 3.52 A): 3 out of 6 assignments used, quality = 0.96: QD2 LEU 72 + HG12 ILE 91 OK 79 94 - 84 - 8542/2.1=26, ~8541=16...(30) QG2 VAL 73 + HG12 ILE 91 OK 64 81 - 78 - 8593/2.1=23, ~8978=18...(18) QD1 LEU 72 + HG12 ILE 91 OK 52 68 - 77 - ~8542=17, 8541/2.1=15...(24) QD1 ILE 136 - HG12 ILE 91 OK 27 92 - 30 - 4636/3.8=5, 8977/2.1=4...(12) QD2 LEU 95 - HG12 ILE 91 OK 20 72 - 28 - 9075/3.8=9, 11032/1.8=5...(8) QD1 LEU 79 - HG12 ILE 91 OK 11 62 - 17 - 9075/3.8=4, ~8737=3...(5) Peak 10650 from aliabs.peaks (0.77, 1.06, 26.96 ppm; 3.94 A): 4 out of 5 assignments used, quality = 1.00: QD1 LEU 72 + HG13 ILE 91 OK 93 100 - 93 - 8541/2.1=34, ~8542=21...(31) QG2 VAL 73 + HG13 ILE 91 OK 90 100 - 90 - 8593/2.1=37, ~8978=23...(22) QD1 LEU 108 + HG13 ILE 91 OK 63 98 - 64 - 8541/2.1=11, 3511/3.2=10...(20) QD2 LEU 108 + HG13 ILE 91 OK 54 81 - 66 - 8810/11028=10...(21) QD1 ILE 136 - HG13 ILE 91 OK 34 96 - 36 - 4636/3.8=6, 4.2/2979=4...(11) Peak 10651 from aliabs.peaks (0.09, 1.06, 26.96 ppm; 6.33 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10652 from aliabs.peaks (-1.12, 3.20, 65.90 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.85: QG1 VAL 82 + HA VAL 73 OK 85 85 - 100 - 2.1/8583=49...(27) Peak 10653 from aliabs.peaks (-1.12, 0.12, 19.46 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 82 + QG1 VAL 73 OK 99 100 - 99 - 2.1/8585=46, 8796=43...(29) Peak 10654 from aliabs.peaks (-1.12, 0.77, 23.82 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 82 + QG2 VAL 73 OK 99 100 - 99 - 11036=50, 2.1/8594=42...(35) Peak 10655 from aliabs.peaks (1.39, 3.20, 65.90 ppm; 5.45 A): 2 out of 8 assignments used, quality = 1.00: HB VAL 82 + HA VAL 73 OK 100 100 - 100 - 2.1/8583=50...(21) HB2 LEU 69 + HA VAL 73 OK 76 85 - 90 - ~9922=23, 3.2/8461=17...(31) HG LEU 116 - HA VAL 73 OK 27 85 - 32 - ~10227=8, 8596/3.2=7...(8) HB2 ARG 109 - HA VAL 73 OK 19 99 - 19 - 8590/3.2=5, ~9271=4...(5) HB2 ARG 35 - HA VAL 73 OK 15 77 - 20 - 2.9/11040=5, ~8580=4...(4) HG2 ARG 49 - HA VAL 73 OK 15 100 - 15 - 4499/8583=2, 8590/3.2=2...(6) HG2 LYS 36 - HA VAL 73 OK 15 89 - 17 - 8596/3.2=6, ~8597=2...(6) HG2 LYS 86 - HA VAL 73 OK 12 100 - 12 - 2487/11035=2...(6) Peak 10656 from aliabs.peaks (1.51, 3.20, 65.90 ppm; 5.63 A): 3 out of 5 assignments used, quality = 0.82: HB2 LYS 123 + HA VAL 73 OK 73 94 - 78 - 3.0/8582=48, 1.8/2164=14...(11) HD3 LYS 114 + HA VAL 73 OK 26 57 - 46 - ~8578=26, 2.9/11038=8...(7) HG3 PRO 57 + HA VAL 73 OK 10 77 - 13 - ~6761=4, 9599/8583=2...(4) HG2 LYS 34 - HA VAL 73 lone 7 100 - 7 - ~6761=2, 4131/8582=1 HG13 ILE 101 - HA VAL 73 lone 2 62 - 3 - Peak 10657 from aliabs.peaks (1.02, 0.12, 19.46 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.95: QD2 LEU 69 + QG1 VAL 73 OK 88 100 - 88 - ~8595=14, 8477/2.1=13...(27) QG2 VAL 53 + QG1 VAL 73 OK 60 94 - 64 - 8240/3.2=14, ~8571=12...(18) QD2 LEU 116 - QG1 VAL 73 OK 34 72 - 47 - 9392/8586=12, ~8596=10...(15) QD1 LEU 116 - QG1 VAL 73 OK 28 62 - 45 - ~8596=10, ~8596=8...(15) Peak 10658 from aliabs.peaks (3.72, 0.86, 16.44 ppm; 3.36 A): 0 out of 5 assignments used, low quality = 0.44: HA ILE 136 - QG2 ILE 83 OK 27 72 - 38 - 5.0/9705=7, 9692/3.2=5...(12) HA ILE 91 - QG2 ILE 83 OK 23 92 - 25 - 4.9/2515=4, 2.9/10029=4...(8) HB THR 74 - QG2 ILE 83 lone 5 96 - 5 - ~9996=1 HA THR 107 - QG2 ILE 83 lone 3 89 - 4 - HA LEU 108 - QG2 ILE 83 lone 2 68 - 3 - Peak 10659 from aliabs.peaks (1.65, 0.86, 16.44 ppm; 3.65 A): 4 out of 5 assignments used, quality = 0.57: HG2 ARG 140 + QG2 ILE 83 OK 30 94 - 31 - 1.8/2516=3, 4737/2.1=3...(14) HB3 LEU 26 + QG2 ILE 83 OK 18 100 - 18 - ~10571=3, 10003/3.1=3...(7) HB2 PRO 57 + QG2 ILE 83 OK 16 85 - 19 - 2.3/9998=4, ~10015=3...(8) HG2 ARG 124 + QG2 ILE 83 OK 12 94 - 12 - ~11138=2, 4228/11060=2...(6) HB2 LYS 114 - QG2 ILE 83 lone 9 100 - 9 - 4.9/10026=1...(4) Peak 10660 from aliabs.peaks (1.37, 0.86, 16.44 ppm; 3.27 A): 6 out of 6 assignments used, quality = 0.89: HG LEU 132 + QG2 ILE 83 OK 51 100 - 51 - ~10018=10, ~9999=9...(20) HB3 LEU 39 + QG2 ILE 83 OK 45 100 - 45 - 3.2/2520=5, 843/3.1=4...(27) HB3 ARG 49 + QG2 ILE 83 OK 28 85 - 33 - 11136/3.2=8, 1.8/2516=4...(14) HD3 LYS 76 + QG2 ILE 83 OK 19 68 - 28 - 1.8/9998=7, 11136/3.2=5...(10) HB2 LEU 69 + QG2 ILE 83 OK 16 89 - 18 - 4.6/10778=5, 10013/3.2=2...(5) HB2 ARG 109 + QG2 ILE 83 OK 16 62 - 25 - 3.6/11060=10...(8) Peak 10661 from aliabs.peaks (2.01, 0.89, 16.73 ppm; 3.17 A): 5 out of 10 assignments used, quality = 0.79: QE MET 113 + QG2 ILE 136 OK 51 100 - 51 - 9332=18, 9331/3.0=13...(14) QE MET 59 + QG2 ILE 136 OK 23 100 - 23 - 10568=4, 1635/2.1=3...(5) HB3 ARG 124 + QG2 ILE 136 OK 22 72 - 31 - 3.9/4611=4, 3.8/10333=4...(10) HB2 GLN 111 + QG2 ILE 136 OK 18 77 - 24 - 11023=3, 1.8/11025=3...(10) HG3 PRO 52 + QG2 ILE 136 OK 12 96 - 12 - 1.8/4613=1, 10466/3.0=1...(4) HB3 GLU 90 - QG2 ILE 136 lone 9 100 - 9 - 3.0/8958=4, ~8957=2 HB VAL 63 - QG2 ILE 136 lone 8 100 - 8 - 10466/3.0=1 HB2 GLU 90 - QG2 ILE 136 lone 7 81 - 9 - 3.0/8958=4, ~8957=2 HG3 GLU 122 - QG2 ILE 136 lone 7 94 - 7 - 9457/9687=2 QE MET 11 - QG2 ILE 136 lone 3 81 - 4 - Peak 10662 from aliabs.peaks (0.67, 2.00, 15.64 ppm; 3.12 A): 0 out of 2 assignments used, low quality = 0.26: HB3 LEU 116 - QE MET 113 OK 16 94 - 17 - 3.2/9333=11, ~10697=2...(4) QD2 LEU 64 - QE MET 113 OK 12 77 - 15 - 2.1/9332=5, 9317/3722=2 Peak 10663 from aliabs.peaks (4.33, 4.67, 52.83 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.99: HA PRO 12 + HA MET 11 OK 99 99 - 100 - 4.8=100 HA ILE 56 - HA MET 11 OK 23 68 - 34 - 3.0/17=6, 52/3.8=5...(12) HA THR 18 - HA MET 11 lone 1 77 - 1 - Peak 10664 from aliabs.peaks (2.19, 2.00, 16.84 ppm; 3.04 A): 0 out of 6 assignments used, low quality = 0.26: HB2 MET 46 - QE MET 11 OK 14 92 - 15 - 1.8/9763=10, 3.0/46=2 HB2 GLN 25 - QE MET 11 OK 14 89 - 15 - 2.9/46=5, 206/3.3=3...(4) HB2 MET 113 - QE MET 11 lone 4 96 - 4 - HB3 PRO 57 - QE MET 11 lone 2 96 - 3 - HB3 LYS 86 - QE MET 11 lone 2 100 - 2 - HG2 PRO 129 - QE MET 11 lone 1 85 - 1 - Peak 10665 from aliabs.peaks (7.30, 1.95, 27.30 ppm; 5.51 A): 4 out of 5 assignments used, quality = 0.85: HZ2 TRP 17 + HG2 PRO 12 OK 65 81 - 80 - ~10949=25, ~11252=22...(9) QD TYR 115 + HG2 PRO 12 OK 31 77 - 40 - 9771/2.3=10, ~4718=8...(8) H PHE 67 + HG2 PRO 12 OK 24 89 - 27 - 11048/2.3=8, 9771/2.3=8...(5) H ASP 30 + HG2 PRO 12 OK 16 92 - 18 - 9771/2.3=7, 9769/2.3=4...(4) QE PHE 106 - HG2 PRO 12 poor 10 77 - 12 - 11048/2.3=3, 2.2/9231=2...(6) Peak 10666 from aliabs.peaks (2.43, 1.95, 27.30 ppm; 4.31 A): 4 out of 9 assignments used, quality = 0.91: HG2 MET 11 + HG2 PRO 12 OK 82 85 - 96 - 3.9/8019=27, ~8015=21...(22) HB3 PRO 118 + HG2 PRO 12 OK 31 62 - 49 - 8001/2.3=7, 11051=6...(26) HG2 MET 68 + HG2 PRO 12 OK 20 100 - 20 - 8001/2.3=5, 11051=3...(6) HB3 PRO 33 + HG2 PRO 12 OK 11 99 - 11 - 8014/2.3=4, 15/8019=2...(4) HG2 GLN 133 - HG2 PRO 12 poor 9 89 - 10 - 8001/2.3=1, 11051=1...(5) HG3 GLN 133 - HG2 PRO 12 poor 9 85 - 10 - 8001/2.3=1, 11051=1...(5) HG2 GLN 47 - HG2 PRO 12 lone 9 98 - 9 - 8001/2.3=2, ~8001=1...(4) HG3 GLN 47 - HG2 PRO 12 lone 9 98 - 9 - 8001/2.3=2, ~8001=1...(4) QE MET 46 - HG2 PRO 12 lone 7 92 - 7 - Peak 10667 from aliabs.peaks (1.60, 2.72, 40.83 ppm; 6.10 A): 3 out of 10 assignments used, quality = 0.96: HD2 LYS 61 + HB3 ASP 13 OK 76 92 - 83 - 9818/3.0=18, ~9818=16...(13) HD3 LYS 61 + HB3 ASP 13 OK 73 89 - 82 - 9818/3.0=17, ~9818=16...(13) HB2 LEU 79 + HB3 ASP 13 OK 34 89 - 38 - ~10115=29, 8008/1.8=9 HB2 LEU 97 - HB3 ASP 13 OK 10 100 - 10 - 8008/1.8=2, 10598/9763=2...(4) HG2 ARG 144 - HB3 ASP 13 lone 8 100 - 8 - 1.8/8022=2, 8008/1.8=1 HG3 ARG 144 - HB3 ASP 13 lone 5 77 - 7 - 8022=1, ~8008=1 HG2 ARG 141 - HB3 ASP 13 lone 5 100 - 5 - 9718/9716=2 HG3 LYS 48 - HB3 ASP 13 lone 4 85 - 5 - 1.8/8023=1 HG LEU 108 - HB3 ASP 13 lone 4 100 - 4 - HG3 ARG 49 - HB3 ASP 13 lone 4 85 - 5 - Peak 10669 from aliabs.peaks (7.77, 2.98, 30.44 ppm; 3.76 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10670 from aliabs.peaks (2.00, 2.98, 30.44 ppm; 4.42 A): 0 out of 11 assignments used, low quality = 0.34: QE MET 11 - HB2 HIS 14 OK 34 100 - 35 - 10594/4.0=21...(4) QE MET 113 - HB2 HIS 14 poor 10 96 - 10 - 11057/1.8=5, 10251/11058=4 HG3 GLU 122 - HB2 HIS 14 lone 4 62 - 6 - 11057/1.8=3, 4093/4.2=3 HB2 GLN 111 - HB2 HIS 14 lone 3 99 - 3 - 11057/1.8=1 HB VAL 63 - HB2 HIS 14 lone 3 96 - 3 - 11057/1.8=2 QE MET 59 - HB2 HIS 14 lone 2 85 - 3 - 11057/1.8=2 HG3 PRO 52 - HB2 HIS 14 lone 2 100 - 2 - 11057/1.8=1 HB3 ARG 124 - HB2 HIS 14 lone 2 98 - 2 - HB ILE 56 - HB2 HIS 14 lone 1 81 - 1 - HB3 GLU 90 - HB2 HIS 14 lone 1 96 - 1 - HB2 GLU 142 - HB2 HIS 14 lone 1 62 - 2 - Peak 10671 from aliabs.peaks (1.46, 4.63, 54.27 ppm; 4.15 A): 3 out of 14 assignments used, quality = 0.92: HG LEU 126 + HA ARG 124 OK 86 96 - 89 - 2.1/10342=25...(26) HB3 LEU 66 + HA ARG 124 OK 26 85 - 30 - ~9475=10, 7543/3.0=5...(11) HB3 LYS 123 + HA ARG 124 OK 22 96 - 23 - 7543/3.0=12, ~7542=8...(4) HB3 LYS 114 - HA LEU 87 OK 22 38 - 57 - 3764/3.0=13, ~3752=8...(17) HG3 LYS 86 - HA ARG 124 OK 18 94 - 19 - 9489/3.6=3, 11075/5.2=2...(6) HG3 LYS 86 - HA LEU 87 OK 17 34 - 51 - 2724/3.0=16, ~11563=9...(9) HB3 LYS 123 - HA LEU 87 OK 16 35 - 46 - ~11412=9, 10772/4.0=7...(15) HB3 LYS 114 - HA ARG 124 OK 12 100 - 12 - 3756/3.8=3, 1.8/4199=2...(5) HG2 LYS 24 - HA LEU 87 OK 11 23 - 50 - 10772/4.0=6, ~11337=6...(19) HG LEU 126 - HA LEU 87 poor 10 35 - 28 - 6995/3.0=6, ~11673=5...(10) HG2 LYS 24 - HA ARG 124 lone 5 72 - 6 - 3.0/4197=1 HG2 LYS 48 - HA ARG 124 lone 4 62 - 6 - 7543/3.0=1 HG2 LYS 48 - HA LEU 87 poor 3 19 - 17 - 10772/4.0=4, 11146/4.1=2...(6) HB3 LEU 66 - HA LEU 87 lone 1 29 - 5 - 11145/4.0=2 Peak 10672 from aliabs.peaks (0.64, 4.63, 54.27 ppm; 4.58 A): 4 out of 6 assignments used, quality = 0.94: QD1 LEU 126 + HA ARG 124 OK 72 77 - 93 - 10342=24, 9496/3.6=20...(26) QD2 LEU 79 + HA ARG 124 OK 65 100 - 65 - 8735/3.0=15, 9478/5.2=12...(20) QD1 ILE 56 + HA ARG 124 OK 24 72 - 33 - 10597/3.8=6, 3.2/4198=4...(11) QD2 LEU 79 + HA LEU 87 OK 18 39 - 45 - 2393/4.3=8, ~2789=6...(16) QD1 LEU 126 - HA LEU 87 poor 8 25 - 32 - ~11673=7, ~6995=5...(9) QD1 ILE 56 - HA LEU 87 lone 1 23 - 6 - Peak 10673 from aliabs.peaks (0.80, 4.63, 54.27 ppm; 3.85 A): 3 out of 12 assignments used, quality = 0.96: QD2 LEU 126 + HA ARG 124 OK 83 96 - 86 - 2.1/10342=22, 9993=11...(26) QD1 LEU 79 + HA ARG 124 OK 58 100 - 59 - 2.1/10672=9, 11070/3.8=8...(19) QG1 VAL 80 + HA ARG 124 OK 50 96 - 52 - 9954=11, 2.1/9952=8...(12) QG2 THR 74 - HA ARG 124 OK 32 100 - 32 - 4.0/4203=5, 9484/3.0=3...(14) QD2 LEU 72 - HA ARG 124 OK 29 85 - 34 - 11609/3.0=5, 9481/3.0=4...(17) QD2 LEU 95 - HA ARG 124 OK 23 99 - 23 - 11070/3.8=4, 9481/3.0=3...(7) QD1 LEU 79 - HA LEU 87 OK 13 39 - 35 - ~2789=4, 2401/4.3=4...(17) QD2 LEU 126 - HA LEU 87 poor 8 35 - 24 - ~11673=4, ~6995=4...(8) QG1 VAL 80 - HA LEU 87 poor 4 35 - 12 - 9954=3, ~9948=2...(4) QD2 LEU 95 - HA LEU 87 lone 3 37 - 9 - 3151/3.6=3, ~6996=2 QG2 THR 74 - HA LEU 87 lone 2 39 - 4 - QD2 LEU 72 - HA LEU 87 lone 1 29 - 3 - Peak 10674 from aliabs.peaks (0.65, 1.65, 26.40 ppm; 4.97 A): 4 out of 4 assignments used, quality = 1.00: QD1 LEU 126 + HG2 ARG 124 OK 99 100 - 100 - 11072/1.8=38...(43) QD1 ILE 56 + HG2 ARG 124 OK 65 100 - 65 - 10597=15, 10676/1.8=9...(18) QD2 LEU 79 + HG2 ARG 124 OK 62 72 - 86 - 2.1/11070=15...(25) QD2 LEU 64 + HG2 ARG 124 OK 45 99 - 46 - 9483/3.0=9, 9480/3.0=7...(10) Peak 10675 from aliabs.peaks (0.79, 1.65, 26.40 ppm; 3.77 A): 4 out of 6 assignments used, quality = 0.95: QD1 LEU 79 + HG2 ARG 124 OK 72 94 - 76 - ~9478=14, 9477/3.0=8...(30) QD2 LEU 126 + HG2 ARG 124 OK 58 62 - 93 - 2.1/11071=24, ~11072=17...(42) QD2 LEU 72 + HG2 ARG 124 OK 42 100 - 42 - 11609/3.0=7, 2144/3.0=5...(20) QD2 LEU 95 + HG2 ARG 124 OK 35 98 - 35 - 9477/3.0=4, 2.1/3145=3...(15) QG2 THR 74 - HG2 ARG 124 OK 21 92 - 22 - 4.0/4230=5, 9484/3.0=3...(9) QG1 VAL 80 - HG2 ARG 124 OK 18 62 - 29 - 11073/1.8=6, 9481/3.0=4...(10) Peak 10676 from aliabs.peaks (0.65, 1.58, 26.40 ppm; 4.00 A): 3 out of 4 assignments used, quality = 0.99: QD1 LEU 126 + HG3 ARG 124 OK 97 100 - 97 - 11071/1.8=28...(41) QD2 LEU 79 + HG3 ARG 124 OK 64 85 - 75 - 2.1/10677=10, 9478/3.0=9...(27) QD1 ILE 56 + HG3 ARG 124 OK 45 100 - 46 - 10597/1.8=12, 9483/3.0=5...(15) QD2 LEU 64 - HG3 ARG 124 OK 31 94 - 33 - 9483/3.0=6, 11071/1.8=6...(8) Peak 10677 from aliabs.peaks (0.81, 1.58, 26.40 ppm; 3.54 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 126 + HG3 ARG 124 OK 93 100 - 93 - 2.1/11072=21, ~11071=14...(43) QD1 LEU 79 + HG3 ARG 124 OK 63 89 - 71 - ~9478=12, 11070/1.8=11...(28) QG1 VAL 80 - HG3 ARG 124 OK 42 100 - 42 - 9490/4.9=7, 9481/3.0=6...(11) QD2 LEU 95 - HG3 ARG 124 OK 25 81 - 31 - 11070/1.8=5, 9479/3.0=2...(14) QG2 THR 74 - HG3 ARG 124 OK 21 92 - 23 - 4.0/4239=4, 11070/1.8=3...(8) Peak 10678 from aliabs.peaks (1.49, 3.32, 40.91 ppm; 4.34 A): 2 out of 5 assignments used, quality = 0.47: HD3 LYS 114 + HD2 ARG 124 OK 34 100 - 34 - 10679/1.8=14, 3800/3.0=5...(12) HG2 LYS 34 + HD2 ARG 124 OK 20 62 - 32 - 2.9/4243=5, 2.9/4242=4...(13) HG13 ILE 101 - HD2 ARG 124 lone 7 100 - 7 - 10679/1.8=3, ~10143=2 HB3 LEU 29 - HD2 ARG 124 lone 6 89 - 6 - 10679/1.8=3, 10623/9478=1 QB ALA 134 - HD2 ARG 124 lone 5 89 - 6 - 10679/1.8=2, 9637/3.0=1 Peak 10679 from aliabs.peaks (1.48, 3.22, 40.91 ppm; 4.58 A): 0 out of 5 assignments used, low quality = 0.44: HD3 LYS 114 - HD3 ARG 124 OK 35 92 - 38 - 10678/1.8=15, 3800/3.0=5...(14) HB2 LYS 76 - HD3 ARG 124 OK 14 92 - 15 - 11074/1.8=4...(5) HB3 LEU 29 - HD3 ARG 124 lone 7 100 - 7 - 10678/1.8=3, 10623/9480=2 HG13 ILE 101 - HD3 ARG 124 lone 7 89 - 8 - 10678/1.8=3, 3.2/10143=2 QB ALA 134 - HD3 ARG 124 lone 6 100 - 6 - 10678/1.8=2, 9637/3.0=2 Peak 10680 from aliabs.peaks (4.25, 1.57, 41.41 ppm; 4.99 A): 0 out of 5 assignments used, low quality = 0.44: HA GLU 142 - HB2 LEU 126 OK 29 100 - 29 - 11076/1.8=11...(7) HA ALA 135 - HB2 LEU 126 OK 21 81 - 26 - 11076/1.8=8, ~9627=6...(5) HB THR 92 - HB2 LEU 126 lone 8 100 - 7 - 3.0/11617=3, 11076/1.8=3 HA ARG 141 - HB2 LEU 126 lone 3 72 - 3 - HA2 GLY 50 - HB2 LEU 126 lone 2 100 - 2 - Peak 10681 from aliabs.peaks (3.21, 0.81, 22.01 ppm; 3.60 A): 8 out of 30 assignments used, quality = 0.94: HD3 ARG 124 + QD2 LEU 126 OK 77 89 - 86 - 1.8/10682=16...(29) HA VAL 73 + QD2 LEU 126 OK 34 72 - 47 - ~10249=13, ~10338=12...(13) HD3 ARG 124 + QG1 VAL 80 OK 26 73 - 35 - 3.0/11073=6, 9479=6...(9) HA VAL 73 + QG2 THR 74 OK 16 35 - 47 - 3.6/6782=11, ~8604=8...(12) HD3 ARG 141 + QG1 VAL 80 OK 14 79 - 18 - 3.5/2416=3, ~4806=2...(6) HD2 ARG 140 + QD2 LEU 126 OK 12 100 - 12 - 10255/2.1=3, ~10255=2...(6) HD3 ARG 140 + QD2 LEU 126 OK 12 100 - 12 - 10255/2.1=3, ~10255=2...(5) HD2 ARG 141 + QG1 VAL 80 OK 12 66 - 18 - 3.5/2416=3, ~4806=2...(6) HD3 ARG 124 - QG2 THR 74 poor 9 46 - 20 - 9479=3, 3.0/11070=3...(10) HD2 ARG 140 - QG1 VAL 80 poor 9 87 - 10 - ~11574=2, ~11575=1 HD3 ARG 140 - QG1 VAL 80 poor 9 87 - 10 - ~11574=2, ~11575=1 HA LEU 39 - QG1 VAL 80 poor 8 54 - 15 - ~9986=3, 11063/2.1=2...(6) HB3 TYR 117 - QG1 VAL 80 lone 7 88 - 7 - ~9955=6 HB3 TYR 117 - QD2 LEU 126 lone 4 100 - 4 - 10255/2.1=1 HG3 MET 46 - QD2 LEU 126 lone 4 100 - 4 - 10255/2.1=1 HD2 ARG 55 - QD2 LEU 126 lone 3 77 - 4 - ~11079=1 HG3 MET 46 - QG1 VAL 80 lone 3 88 - 4 - HD3 ARG 141 - QD2 LEU 126 lone 3 94 - 3 - HA VAL 73 - QG1 VAL 80 lone 2 58 - 4 - HD2 ARG 141 - QD2 LEU 126 lone 2 81 - 2 - HB3 TYR 117 - QG2 THR 74 lone 2 57 - 3 - 3914/4.3=1 HD2 ARG 140 - QG2 THR 74 lone 2 56 - 3 - HD3 ARG 140 - QG2 THR 74 lone 1 56 - 3 - HD2 ARG 55 - QG2 THR 74 lone 1 38 - 3 - 6776/4.0=2, 6789/4.3=1 HA LEU 39 - QD2 LEU 126 lone 1 68 - 2 - HG3 MET 46 - QG2 THR 74 lone 1 58 - 1 - HD2 ARG 55 - QG1 VAL 80 lone 1 62 - 1 - HA LEU 39 - QG2 THR 74 lone 1 32 - 2 - HD3 ARG 141 - QG2 THR 74 lone 0 50 - 1 - HD2 ARG 141 - QG2 THR 74 lone 0 40 - 1 - Peak 10682 from aliabs.peaks (3.32, 0.81, 22.01 ppm; 3.80 A): 3 out of 9 assignments used, quality = 0.95: HD2 ARG 124 + QD2 LEU 126 OK 89 100 - 89 - 10254/2.1=16...(30) HD2 ARG 124 + QG1 VAL 80 OK 35 89 - 39 - 1.8/9479=8, 3.0/11073=7...(9) HD3 ARG 109 + QD2 LEU 126 OK 27 89 - 31 - 10254/2.1=8, 3.0/4308=2...(14) HD2 ARG 124 - QG2 THR 74 OK 13 58 - 22 - 9477=3, 1.8/9479=3...(10) HB2 TRP 88 - QD2 LEU 126 OK 11 100 - 11 - 10254/2.1=2, ~10256=2, ~9839=2 HB2 TRP 88 - QG2 THR 74 poor 7 58 - 13 - ~8619=2, ~8607=2...(6) HD3 ARG 109 - QG1 VAL 80 lone 6 73 - 8 - HB2 TRP 88 - QG1 VAL 80 lone 3 88 - 3 - HD3 ARG 109 - QG2 THR 74 lone 2 46 - 5 - Peak 10683 from aliabs.peaks (1.99, 1.46, 27.00 ppm; 4.41 A): 1 out of 7 assignments used, quality = 0.96: HB3 ARG 124 + HG LEU 126 OK 96 98 - 98 - 9495/2.1=22, ~9482=20...(42) HB2 GLN 111 - HG LEU 126 OK 33 96 - 34 - 11592/2.1=13, ~10181=6...(7) HB2 GLU 142 - HG LEU 126 OK 30 98 - 31 - ~10680=7, 9495/2.1=5...(10) HB ILE 56 - HG LEU 126 OK 27 100 - 27 - 9495/2.1=6, 3.2/4295=3...(12) HB3 GLU 75 - HG LEU 126 OK 26 85 - 31 - 4.4/6812=6, ~9494=5...(9) HG3 PRO 52 - HG LEU 126 lone 7 77 - 9 - 11592/2.1=3, ~10258=2, ~8759=1 QE MET 11 - HG LEU 126 lone 6 94 - 7 - 9495/2.1=1 Peak 10684 from aliabs.peaks (2.68, 1.01, 27.97 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.70: HB3 TYR 115 + QD1 LEU 116 OK 59 72 - 81 - 2.5/10220=20, ~9366=19...(18) HB2 PHE 43 + QD1 LEU 116 OK 27 89 - 31 - 1.8/9374=10, ~4816=6...(7) Peak 10685 from aliabs.peaks (6.34, 1.01, 27.97 ppm; 5.74 A): 1 out of 1 assignment used, quality = 0.83: QD TYR 119 + QD1 LEU 116 OK 83 89 - 93 - 2.2/9396=49...(12) Peak 10686 from aliabs.peaks (6.35, 1.03, 24.44 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.59: QD TYR 119 + QD2 LEU 116 OK 59 68 - 88 - 2.2/9400=41, 11087=41...(11) Peak 10687 from aliabs.peaks (6.70, 1.03, 24.44 ppm; 6.26 A): 0 out of 1 assignment used, low quality = 0.28: HZ PHE 43 - QD2 LEU 116 OK 28 72 - 39 - ~4743=19, 5.8/9377=8...(7) Peak 10689 from aliabs.peaks (1.58, 1.01, 27.97 ppm; 4.78 A): 2 out of 9 assignments used, quality = 0.98: HB2 LEU 66 + QD1 LEU 116 OK 94 100 - 94 - 3.1/9393=20...(34) HG3 LYS 36 + QD1 LEU 116 OK 69 100 - 69 - 2.9/10691=10, 1.8/3890=9...(23) HG3 ARG 109 - QD1 LEU 116 OK 38 98 - 39 - ~9273=7, 3.9/10176=5...(16) HB2 LEU 79 - QD1 LEU 116 OK 15 77 - 20 - 3.0/9373=6, ~9376=4...(6) HG3 ARG 124 - QD1 LEU 116 OK 15 100 - 15 - 3.0/10694=2, ~10231=2...(5) HD3 LYS 85 - QD1 LEU 116 OK 12 89 - 14 - ~11090=2, 2.9/10224=2...(5) HB2 LEU 126 - QD1 LEU 116 poor 8 62 - 13 - ~10297=3, 3.0/10690=2...(5) HD3 LYS 61 - QD1 LEU 116 lone 2 77 - 3 - HD2 LYS 61 - QD1 LEU 116 lone 2 72 - 2 - Peak 10690 from aliabs.peaks (1.45, 1.01, 27.97 ppm; 3.66 A): 6 out of 8 assignments used, quality = 0.90: HB3 LYS 114 + QD1 LEU 116 OK 47 100 - 47 - ~10231=8, 3760/2.1=6...(17) HB3 LEU 66 + QD1 LEU 116 OK 47 62 - 75 - 3.1/9393=14, ~11090=9...(30) HG12 ILE 91 + QD1 LEU 116 OK 43 72 - 60 - 1.8/3888=11, 2.1/9394=10...(21) HG2 LYS 48 + QD1 LEU 116 OK 15 85 - 18 - 2.9/10295=3, 2.9/10295=2...(7) HG2 LYS 24 + QD1 LEU 116 OK 13 92 - 14 - 10906/2.1=2, 3.0/10229=1...(4) HB3 LYS 123 + QD1 LEU 116 OK 11 100 - 11 - 3.0/9394=3, ~10230=1 HG LEU 126 - QD1 LEU 116 poor 9 81 - 11 - ~10297=2, 4295/11015=2 HG3 LYS 86 - QD1 LEU 116 lone 7 77 - 9 - 1.8/3890=1 Peak 10691 from aliabs.peaks (1.74, 1.01, 27.97 ppm; 4.69 A): 4 out of 6 assignments used, quality = 0.84: HG3 ARG 140 + QD1 LEU 116 OK 48 100 - 49 - 2.9/11091=16...(12) HD2 LYS 36 + QD1 LEU 116 OK 45 81 - 56 - 2.9/10689=9, 2.9/3890=8...(19) HB2 ARG 49 + QD1 LEU 116 OK 31 100 - 31 - 3.0/3890=4, 1251/2.1=3...(14) HB2 GLU 81 + QD1 LEU 116 OK 18 99 - 18 - 4.0/10220=7, 8785/3.1=2 HB ILE 58 - QD1 LEU 116 lone 8 81 - 10 - ~9391=4, ~11029=2 HB3 ARG 144 - QD1 LEU 116 lone 7 72 - 10 - ~9378=2, ~9378=2, 1.8/10295=2 Peak 10692 from aliabs.peaks (3.21, 1.03, 24.44 ppm; 4.69 A): 4 out of 11 assignments used, quality = 0.97: HG3 MET 46 + QD2 LEU 116 OK 77 100 - 77 - ~9374=16, 10619=12...(19) HA LEU 39 + QD2 LEU 116 OK 53 77 - 68 - 9376=14, 9373/2.1=12...(19) HD3 ARG 140 + QD2 LEU 116 OK 47 98 - 48 - ~11091=14, 2.9/10231=8...(10) HD2 ARG 140 + QD2 LEU 116 OK 41 98 - 42 - 2.9/10231=8, 11091/2.1=8...(9) HB3 TYR 117 - QD2 LEU 116 OK 40 99 - 41 - 3.9/3901=21, ~10720=11...(6) HA VAL 73 - QD2 LEU 116 OK 33 81 - 41 - ~8596=7, ~8596=6...(15) HD3 ARG 124 - QD2 LEU 116 poor 9 81 - 11 - 3.0/10231=2, 3.0/11090=1...(4) HD3 ARG 141 - QD2 LEU 116 lone 3 98 - 3 - HD2 ARG 55 - QD2 LEU 116 lone 3 85 - 4 - HD2 ARG 141 - QD2 LEU 116 lone 3 89 - 3 - HD3 ARG 55 - QD2 LEU 116 lone 2 62 - 3 - Peak 10694 from aliabs.peaks (3.23, 1.01, 27.97 ppm; 4.22 A): 6 out of 6 assignments used, quality = 0.91: HG3 MET 46 + QD1 LEU 116 OK 55 81 - 67 - 3.0/9374=20, 4.1/10289=8...(18) HD2 ARG 140 + QD1 LEU 116 OK 38 89 - 43 - 11091=14, 2.9/10691=8...(13) HD3 ARG 140 + QD1 LEU 116 OK 38 89 - 43 - 1.8/11091=14...(13) HB3 TYR 117 + QD1 LEU 116 OK 28 85 - 33 - 3.9/7454=15, ~10720=8...(6) HD3 ARG 89 + QD1 LEU 116 OK 15 89 - 17 - 11091=5, 1.8/11091=4...(5) HD3 ARG 124 + QD1 LEU 116 OK 11 100 - 11 - 3.0/10689=2...(4) Peak 10695 from aliabs.peaks (3.42, 1.01, 27.97 ppm; 6.01 A): 2 out of 3 assignments used, quality = 0.95: HB3 TYR 112 + QD1 LEU 116 OK 92 94 - 97 - 2.9/10223=42...(19) HA THR 74 + QD1 LEU 116 OK 38 96 - 39 - 3.6/3893=17...(11) HD2 PRO 98 - QD1 LEU 116 OK 24 94 - 26 - ~8195=5, 3657/10223=4...(9) Peak 10696 from aliabs.peaks (3.92, 1.03, 24.44 ppm; 5.72 A): 2 out of 4 assignments used, quality = 0.97: HA TYR 112 + QD2 LEU 116 OK 91 94 - 97 - 10245/5.0=32...(26) HA MET 46 + QD2 LEU 116 OK 68 85 - 79 - ~9374=23, 10289/2.1=17...(15) HD2 PRO 129 - QD2 LEU 116 OK 27 100 - 27 - 10293=7, 9395/3.2=6...(6) HA2 GLY 143 - QD2 LEU 116 lone 8 100 - 8 - 9395/3.2=1, 10223/2.1=1 Peak 10697 from aliabs.peaks (2.25, 1.03, 24.44 ppm; 6.64 A): 4 out of 6 assignments used, quality = 0.86: HG2 MET 113 + QD2 LEU 116 OK 60 100 - 60 - 3.3/9333=27, ~10662=22...(8) HB3 PRO 12 + QD2 LEU 116 OK 49 68 - 72 - 2.3/10226=43, ~9371=33...(5) HG3 PRO 129 + QD2 LEU 116 OK 19 85 - 23 - 2.3/10293=7, ~9395=6...(6) HG3 GLU 90 + QD2 LEU 116 OK 16 99 - 16 - 3726/9333=5...(5) HG3 GLN 62 - QD2 LEU 116 lone 5 94 - 5 - HG2 GLN 62 - QD2 LEU 116 lone 5 92 - 5 - Peak 10698 from aliabs.peaks (0.25, 1.03, 24.44 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 71 + QD2 LEU 116 OK 83 100 - 83 - 11092=50, 10699/2.1=18...(16) Peak 10699 from aliabs.peaks (0.26, 1.01, 27.97 ppm; 6.15 A): 1 out of 1 assignment used, quality = 0.82: QG2 VAL 71 + QD1 LEU 116 OK 82 92 - 89 - 11092/2.1=48...(18) Peak 10700 from aliabs.peaks (2.40, 1.40, 26.69 ppm; 4.59 A): 5 out of 10 assignments used, quality = 0.91: HG2 MET 46 + HG LEU 116 OK 64 100 - 64 - ~9374=15, 10496/2.1=9...(14) HB ILE 91 + HG LEU 116 OK 64 94 - 68 - 3.0/3880=9, ~10230=8...(21) HG2 MET 59 + HG2 ARG 49 OK 15 78 - 19 - 10576/3.0=6, ~10576=4...(7) HG3 MET 59 + HG2 ARG 49 OK 15 77 - 19 - 10576/3.0=5, ~10576=4...(7) HB ILE 91 + HG2 ARG 49 OK 10 69 - 15 - ~8974=5, ~10468=4...(4) HG2 MET 46 - HG2 ARG 49 lone 8 78 - 10 - ~10693=4, 4.1/11506=3 HG3 GLN 25 - HG2 ARG 49 lone 8 77 - 10 - ~11512=3, 10931/3.9=3, ~10669=1 HG3 GLN 25 - HG LEU 116 lone 6 100 - 6 - ~9403=1, ~9399=1 HG2 MET 59 - HG LEU 116 lone 4 100 - 4 - HG3 MET 59 - HG LEU 116 lone 4 100 - 4 - Peak 10701 from aliabs.peaks (2.69, 1.40, 26.69 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.99: HB3 TYR 115 + HG LEU 116 OK 98 100 - 98 - 4.7/3878=44, ~9366=34...(20) HB2 PHE 43 + HG LEU 116 OK 55 99 - 56 - ~4816=15, 9377/2.1=12...(8) HB2 ASP 32 + HG2 ARG 49 OK 46 76 - 61 - 1.8/11169=24...(9) HB2 ASP 32 - HG LEU 116 OK 26 100 - 26 - 10806/2.1=12, 7438/4.9=5...(6) HB2 ASP 137 - HG LEU 116 OK 20 98 - 21 - 9377/2.1=4, ~9374=3...(5) HB3 TYR 115 - HG2 ARG 49 poor 9 78 - 11 - 420/11169=2...(4) HB2 ASP 137 - HG2 ARG 49 lone 7 73 - 9 - ~9703=2, ~9703=2 HB2 PHE 43 - HG2 ARG 49 lone 4 75 - 6 - ~3500=2 Peak 10702 from aliabs.peaks (2.98, 1.40, 26.69 ppm; 6.61 A): 5 out of 8 assignments used, quality = 0.95: HA VAL 71 + HG LEU 116 OK 88 96 - 92 - ~11092=40, ~10698=37...(13) HB3 TYR 27 + HG2 ARG 49 OK 30 73 - 41 - 11208/8195=14...(5) HB3 TYR 27 + HG LEU 116 OK 20 98 - 20 - ~8044=3, ~8044=3...(8) HB2 ASP 30 + HG2 ARG 49 OK 12 77 - 15 - ~1290=1, ~1263=1...(7) HB2 ASP 30 + HG LEU 116 OK 11 100 - 11 - 4.4/3885=5, 11473/3885=1 HB2 HIS 14 - HG LEU 116 lone 7 100 - 7 - 11054/9786=1...(3) HB2 HIS 14 - HG2 ARG 49 lone 5 78 - 7 - 11054/9786=4 HA VAL 71 - HG2 ARG 49 lone 4 71 - 6 - Peak 10703 from aliabs.peaks (0.34, 3.10, 61.73 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.97: HG2 LYS 123 + HA TYR 119 OK 88 100 - 88 - 11607/3.7=41...(13) QD2 LEU 42 + HA TYR 119 OK 76 77 - 99 - 2.1/9421=50, ~9420=45...(19) QD1 ILE 91 - HA TYR 119 OK 41 98 - 42 - 8993/10236=6...(14) Peak 10704 from aliabs.peaks (0.41, 3.10, 61.73 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.81: QD2 LEU 132 + HA TYR 119 OK 81 96 - 84 - 11098=29, 3.8/11039=27...(20) Peak 10705 from aliabs.peaks (2.10, 3.10, 61.73 ppm; 5.57 A): 6 out of 9 assignments used, quality = 0.95: HG2 GLU 122 + HA TYR 119 OK 70 94 - 75 - 3.0/4064=29, 3.0/3989=24...(11) HG2 PRO 118 + HA TYR 119 OK 58 94 - 61 - ~7464=13, 11552=13...(10) HG2 PRO 33 + HA TYR 119 OK 29 100 - 28 - ~10992=8, ~10990=4...(7) HB3 LYS 36 + HA TYR 119 OK 20 100 - 20 - 4.5/10303=9, 7465/2.8=4...(4) HG3 PRO 33 + HA TYR 119 OK 20 77 - 26 - ~10992=8, ~10990=4...(7) HB3 GLN 25 + HA TYR 119 OK 10 100 - 10 - 4.4/9429=2, 8290/9421=2...(4) HB2 GLU 131 - HA TYR 119 poor 7 68 - 10 - ~10391=3, 7465/2.8=1 HB2 PRO 129 - HA TYR 119 lone 4 72 - 6 - HB3 GLU 142 - HA TYR 119 lone 4 99 - 4 - Peak 10709 from aliabs.peaks (3.98, 2.94, 38.09 ppm; 6.02 A): 0 out of 6 assignments used, low quality = 0.30: HB2 SER 138 - HB2 TYR 119 OK 17 81 - 21 - ~10348=6, ~10470=4...(7) HB3 SER 138 - HB2 TYR 119 OK 16 77 - 21 - ~10348=6, ~10470=4...(7) HA LYS 114 - HB2 TYR 119 lone 2 68 - 3 - HA MET 113 - HB2 TYR 119 lone 2 77 - 2 - HA GLU 75 - HB2 TYR 119 lone 2 98 - 2 - HB3 SER 127 - HB2 TYR 119 lone 2 85 - 2 - Peak 10711 from aliabs.peaks (0.68, 2.94, 38.09 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.93: HB3 LEU 116 + HB2 TYR 119 OK 86 96 - 89 - ~11087=40, ~10686=39...(8) QD2 LEU 66 + HB2 TYR 119 OK 33 89 - 37 - 11103=25, 11158/4.5=10 QD1 ILE 83 + HB2 TYR 119 OK 25 100 - 25 - 10028/1.8=8, ~9435=7...(4) Peak 10713 from aliabs.peaks (6.33, 2.94, 38.09 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 119 + HB2 TYR 119 OK 100 100 - 100 - 2.7=100 Peak 10714 from aliabs.peaks (6.26, 2.94, 38.09 ppm; 6.79 A): 1 out of 1 assignment used, quality = 0.62: QE TYR 119 + HB2 TYR 119 OK 62 62 - 100 - 4.5=100 Peak 10716 from aliabs.peaks (6.25, 2.78, 38.09 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.77: QE TYR 119 + HB3 TYR 119 OK 77 77 - 100 - 4.5=100 Peak 10717 from aliabs.peaks (6.34, 2.78, 38.09 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 119 + HB3 TYR 119 OK 92 92 - 100 - 2.7=100 Peak 10718 from aliabs.peaks (9.05, 3.10, 61.73 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: H GLU 120 + HA TYR 119 OK 100 100 - 100 - 3.6=100 Peak 10719 from aliabs.peaks (0.54, 2.94, 38.09 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 42 + HB2 TYR 119 OK 88 89 - 99 - ~10735=43, 9421/3.0=42...(16) QD1 ILE 58 + HB2 TYR 119 OK 40 100 - 40 - 9421/3.0=28...(3) Peak 10720 from aliabs.peaks (7.14, 1.40, 26.69 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.51: QD TYR 117 + HG LEU 116 OK 51 99 - 52 - 4.5/3885=26...(10) HZ PHE 106 - HG LEU 116 lone 6 72 - 9 - ~4833=5, 5.8/11096=1 QD TYR 117 - HG2 ARG 49 lone 5 75 - 6 - 8716/11004=1 HZ PHE 106 - HG2 ARG 49 lone 2 49 - 4 - 7.1/3428=1 Peak 10721 from aliabs.peaks (6.39, 0.67, 44.12 ppm; 6.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10722 from aliabs.peaks (6.30, 1.05, 44.12 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.57: QE PHE 38 + HB2 LEU 116 OK 57 99 - 58 - ~9789=35, ~9400=17...(8) Peak 10723 from aliabs.peaks (0.60, 4.53, 60.60 ppm; 6.27 A): 3 out of 3 assignments used, quality = 0.99: QD1 LEU 66 + HA TYR 115 OK 92 100 - 92 - 9367/2.9=33, 9866/5.7=29...(14) QD1 LEU 132 + HA TYR 115 OK 70 100 - 70 - 10295/5.7=24...(10) QG1 VAL 71 + HA TYR 115 OK 47 98 - 48 - 9368/3.0=12...(9) Peak 10724 from aliabs.peaks (0.68, 4.53, 60.60 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 66 + HA TYR 115 OK 93 96 - 97 - 11113/2.9=34, ~9367=29...(20) HB3 LEU 116 + HA TYR 115 OK 85 89 - 96 - ~9366=26, ~10684=25...(19) QD1 ILE 83 - HA TYR 115 OK 29 100 - 29 - 7443/3.6=8, 10779/4793=6...(8) QD2 LEU 39 - HA TYR 115 OK 27 62 - 43 - 4750/3.7=14...(8) Peak 10725 from aliabs.peaks (2.96, 3.93, 62.06 ppm; 6.56 A): 5 out of 10 assignments used, quality = 0.83: HB2 TYR 115 + HA TYR 112 OK 69 85 - 81 - 4.7/10245=45...(7) HB3 PHE 67 + HA TYR 112 OK 20 89 - 23 - 10727/2.9=6, 10841/3.7=5...(8) HE2 LYS 93 + HA TYR 112 OK 14 81 - 18 - 3.8/9300=8, 10727/2.9=2...(4) HE2 LYS 48 + HA TYR 112 OK 11 85 - 13 - 10727/2.9=3, ~10727=2...(6) HB3 TYR 27 + HA TYR 112 OK 10 92 - 11 - 10915/4.9=4, 10727/2.9=1...(4) HE3 LYS 48 - HA TYR 112 poor 9 68 - 13 - 10727/2.9=2, ~10727=2...(6) HB2 ASP 30 - HA TYR 112 lone 7 81 - 9 - 9527/4404=1 HE2 LYS 85 - HA TYR 112 lone 7 77 - 8 - 10727/2.9=2...(3) HB2 PHE 106 - HA TYR 112 lone 5 89 - 6 - 10727/2.9=1 HB2 HIS 14 - HA TYR 112 lone 2 72 - 3 - Peak 10727 from aliabs.peaks (2.96, 3.25, 38.88 ppm; 6.80 A): 2 out of 10 assignments used, quality = 0.58: HB2 TYR 115 + HB2 TYR 112 OK 48 96 - 50 - 10725/2.9=17, ~11594=17...(7) HB3 PHE 67 + HB2 TYR 112 OK 19 98 - 19 - 10841/2.7=7, 10725/2.9=5...(4) HE2 LYS 48 - HB2 TYR 112 lone 8 96 - 9 - 10725/2.9=3, ~10725=2 HE2 LYS 93 - HB2 TYR 112 lone 8 94 - 8 - 10725/2.9=4, 10224/9304=2 HE3 LYS 48 - HB2 TYR 112 lone 7 85 - 8 - ~10725=2, 10725/2.9=2 HE2 LYS 85 - HB2 TYR 112 lone 5 92 - 5 - 10725/2.9=2 HB3 TYR 27 - HB2 TYR 112 lone 5 77 - 6 - 10725/2.9=3 HB2 PHE 106 - HB2 TYR 112 lone 4 98 - 4 - 10725/2.9=1 HE3 LYS 85 - HB2 TYR 112 lone 3 72 - 5 - ~10725=1 HB2 ASP 30 - HB2 TYR 112 lone 3 62 - 5 - 10725/2.9=2 Peak 10728 from aliabs.peaks (1.90, 1.39, 29.64 ppm; 6.80 A): 4 out of 10 assignments used, quality = 0.91: HB3 LEU 69 + HB2 ARG 109 OK 66 92 - 72 - ~10176=15, 11118/1.8=10...(20) HB3 ARG 89 + HB2 ARG 109 OK 57 100 - 57 - 11118/1.8=9, 2.8/3533=7...(18) HB3 LYS 24 + HB2 ARG 109 OK 22 100 - 21 - 11342/4.0=14...(3) HB3 LYS 93 + HB2 ARG 109 OK 21 96 - 21 - 4.7/3538=7, 3044/4.6=2...(4) HB3 ARG 140 - HB2 ARG 109 lone 7 98 - 7 - 2885/3533=1 HB3 GLN 111 - HB2 ARG 109 lone 7 100 - 7 - 11024/11557=1 HB ILE 101 - HB2 ARG 109 lone 6 94 - 7 - HB2 GLN 62 - HB2 ARG 109 lone 5 100 - 5 - HB3 ARG 141 - HB2 ARG 109 lone 4 89 - 5 - HB2 MET 59 - HB2 ARG 109 lone 3 62 - 5 - Peak 10730 from aliabs.peaks (1.25, 1.72, 29.64 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.98: HG2 LYS 61 + HB3 ARG 109 OK 76 98 - 78 - 3.8/3541=16, ~1661=13...(23) HG3 LYS 61 + HB3 ARG 109 OK 61 77 - 79 - 1.8/11117=19...(23) HG13 ILE 58 + HB3 ARG 109 OK 58 100 - 59 - 1.8/11117=14, ~8286=12...(16) HG12 ILE 58 + HB3 ARG 109 OK 51 89 - 57 - ~8286=12, 1.8/11117=11...(15) HB2 LEU 132 - HB3 ARG 109 OK 25 62 - 39 - ~4514=3, ~3560=3...(18) HB3 LEU 87 - HB3 ARG 109 poor 8 68 - 11 - ~8890=4, 3.2/10061=2, ~8890=1 HB3 LEU 97 - HB3 ARG 109 lone 5 68 - 7 - 11426/3541=2 Peak 10731 from aliabs.peaks (6.84, 1.58, 26.88 ppm; 6.73 A): 2 out of 2 assignments used, quality = 0.95: HZ2 TRP 88 + HG3 ARG 109 OK 89 92 - 97 - 9267/3.9=34, ~10739=32...(17) QD PHE 67 + HG3 ARG 109 OK 54 92 - 59 - 10741/3.0=16...(6) Peak 10732 from aliabs.peaks (7.12, 1.58, 26.88 ppm; 6.06 A): 2 out of 3 assignments used, quality = 0.59: QD PHE 106 + HG3 ARG 109 OK 54 89 - 61 - 3.7/11591=18, 2.5/3564=6...(22) HZ PHE 106 + HG3 ARG 109 OK 12 77 - 16 - 7.1/11591=10, 5.8/3564=4 QE PHE 45 - HG3 ARG 109 lone 3 98 - 3 - Peak 10733 from aliabs.peaks (7.32, 1.58, 26.88 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.68: H PHE 67 + HG3 ARG 109 OK 46 89 - 52 - 4.3/10731=13, 3.6/1873=8...(13) H GLU 81 + HG3 ARG 109 OK 27 62 - 43 - ~6858=6, ~6894=6...(16) QD TYR 115 + HG3 ARG 109 OK 20 96 - 21 - ~4716=8, 4750/1916=2...(6) H ASP 30 - HG3 ARG 109 lone 8 85 - 9 - 3.6/10745=3, 8132/11496=1 Peak 10734 from aliabs.peaks (6.85, 1.72, 29.64 ppm; 5.95 A): 2 out of 2 assignments used, quality = 0.77: HZ2 TRP 88 + HB3 ARG 109 OK 66 68 - 98 - ~9268=33, 9267/3.0=33...(16) QD PHE 67 + HB3 ARG 109 OK 33 68 - 48 - 10735/1.8=13...(7) Peak 10735 from aliabs.peaks (6.84, 1.39, 29.64 ppm; 6.01 A): 2 out of 2 assignments used, quality = 0.95: HZ2 TRP 88 + HB2 ARG 109 OK 91 92 - 99 - ~9268=34, 9267/3.0=33...(27) QD PHE 67 + HB2 ARG 109 OK 46 92 - 50 - 10734/1.8=13...(6) Peak 10736 from aliabs.peaks (6.55, 3.11, 43.50 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.14: QE TYR 117 - HD2 ARG 109 OK 14 94 - 15 - 10189/9338=4...(5) QE TYR 117 - HD2 ARG 145 lone 8 88 - 9 - 10189/9338=2...(3) QE TYR 117 - HD3 ARG 145 lone 8 85 - 9 - 10189/9338=2...(3) Peak 10737 from aliabs.peaks (6.84, 3.11, 43.50 ppm; 5.29 A): 2 out of 6 assignments used, quality = 0.93: HZ2 TRP 88 + HD2 ARG 109 OK 88 99 - 89 - ~10739=25, 10235/3.0=21...(19) QD PHE 67 + HD2 ARG 109 OK 42 99 - 42 - 4691/1.8=12, 10235/3.0=9...(7) HZ2 TRP 88 - HD2 ARG 145 OK 23 94 - 24 - 9267/3568=3...(13) HZ2 TRP 88 - HD3 ARG 145 OK 22 91 - 24 - 9267/3568=3...(12) QD PHE 67 - HD2 ARG 145 lone 9 94 - 9 - 10235/3564=1, 10741/3582=1 QD PHE 67 - HD3 ARG 145 lone 8 91 - 9 - 10235/3564=1, 10741/3582=1 Peak 10738 from aliabs.peaks (7.37, 3.11, 43.50 ppm; 6.80 A): 0 out of 9 assignments used, low quality = 0.00: H LYS 114 - HD2 ARG 109 lone 8 85 - 10 - 3729/9338=3...(3) H LYS 114 - HD2 ARG 145 lone 6 78 - 8 - 3729/9338=1, 8199/6.0=1 H LYS 114 - HD3 ARG 145 lone 6 75 - 8 - 3729/9338=1, 8199/6.0=1 H ASP 41 - HD2 ARG 109 lone 5 99 - 5 - 10777/10007=2 H GLY 77 - HD2 ARG 109 lone 5 67 - 7 - 8675/8570=3, 10777/10007=1 H ASP 41 - HD2 ARG 145 lone 3 94 - 4 - H ASP 41 - HD3 ARG 145 lone 3 91 - 4 - H GLY 77 - HD2 ARG 145 lone 3 61 - 4 - 8675/8570=1 H GLY 77 - HD3 ARG 145 lone 3 58 - 4 - 8675/8570=1 Peak 10739 from aliabs.peaks (6.42, 3.33, 43.50 ppm; 5.88 A): 1 out of 1 assignment used, quality = 0.73: HH2 TRP 88 + HD3 ARG 109 OK 73 81 - 90 - 9268/5.2=34...(18) Peak 10740 from aliabs.peaks (6.49, 3.30, 43.65 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10741 from aliabs.peaks (6.85, 3.33, 43.50 ppm; 5.68 A): 2 out of 2 assignments used, quality = 0.87: HZ2 TRP 88 + HD3 ARG 109 OK 77 81 - 95 - 2.5/10739=36...(23) QD PHE 67 + HD3 ARG 109 OK 42 81 - 52 - 10235/3.0=11, 11124=11...(11) Peak 10742 from aliabs.peaks (3.82, 3.11, 43.50 ppm; 5.65 A): 5 out of 12 assignments used, quality = 0.81: HA THR 110 + HD2 ARG 109 OK 49 100 - 49 - 9277/5.7=13, ~7310=9...(7) HA THR 110 + HD2 ARG 145 OK 28 95 - 29 - 4.9/3568=8, 9279/3.0=4...(9) HA THR 110 + HD3 ARG 145 OK 27 92 - 29 - 4.9/3568=8, 9279/3.0=4...(9) HA3 GLY 50 + HD2 ARG 145 OK 17 95 - 17 - 1.8/11646=4, 1308/6.0=4...(5) HA3 GLY 50 + HD3 ARG 145 OK 16 93 - 17 - 1.8/11646=4, 1308/6.0=4...(5) HA3 GLY 50 - HD2 ARG 109 lone 5 100 - 5 - 1.8/10386=1 HB2 SER 100 - HD2 ARG 109 lone 2 77 - 3 - HB2 SER 100 - HD2 ARG 145 lone 2 70 - 2 - HB2 SER 100 - HD3 ARG 145 lone 1 67 - 2 - HA GLN 47 - HD2 ARG 109 lone 1 67 - 2 - HA GLN 47 - HD2 ARG 145 lone 1 61 - 2 - HA GLN 47 - HD3 ARG 145 lone 1 58 - 2 - Peak 10743 from aliabs.peaks (3.92, 3.11, 43.50 ppm; 6.80 A): 3 out of 12 assignments used, quality = 0.50: HA2 GLY 143 + HD2 ARG 109 OK 26 100 - 26 - 11637/3.6=9, 9276/5.2=5...(5) HA MET 46 + HD2 ARG 145 OK 18 70 - 26 - 10389/5.3=18, 5.2/10483=5 HA MET 46 + HD3 ARG 145 OK 17 67 - 26 - 10389/5.3=18, 5.2/10483=5 HA2 GLY 143 - HD2 ARG 145 lone 9 96 - 10 - 10389/5.3=4, 11637/3546=1 HD2 PRO 129 - HD2 ARG 109 lone 9 100 - 9 - ~10745=4, ~11591=1, 10745/3.0=1 HA2 GLY 143 - HD3 ARG 145 lone 9 93 - 10 - 10389/5.3=4, 11637/3546=1 HA MET 46 - HD2 ARG 109 poor 8 77 - 11 - 5.2/10483=3...(3) HA TYR 112 - HD2 ARG 109 lone 8 98 - 8 - 9301/11132=2, 10745/3.0=1 HA TYR 112 - HD2 ARG 145 lone 4 92 - 4 - HD2 PRO 129 - HD2 ARG 145 lone 4 96 - 4 - HD2 PRO 129 - HD3 ARG 145 lone 4 93 - 4 - HA TYR 112 - HD3 ARG 145 lone 4 89 - 4 - Peak 10744 from aliabs.peaks (3.97, 3.33, 43.50 ppm; 6.80 A): 6 out of 7 assignments used, quality = 0.84: HA PHE 106 + HD3 ARG 109 OK 42 62 - 68 - 3539/3.6=13, 3427/5.7=12...(24) HA LYS 48 + HD3 ARG 109 OK 31 96 - 32 - 7281/5.7=8, 11591/3.0=6...(6) HA ALA 60 + HD3 ARG 109 OK 25 77 - 32 - 4.8/3577=11, 3539/3.6=6...(6) HA3 GLY 94 + HD3 ARG 109 OK 21 77 - 27 - 3539/3.6=7, 3529/3.6=6...(7) HA3 GLY 143 + HD3 ARG 109 OK 20 91 - 21 - ~10745=10, ~10743=8...(4) HB3 SER 103 + HD3 ARG 109 OK 19 94 - 20 - 10145/1.8=3, ~10147=3...(7) HA GLU 75 - HD3 ARG 109 lone 8 81 - 10 - 11723/9275=2, 9258/9275=2 Peak 10745 from aliabs.peaks (3.94, 1.58, 26.88 ppm; 4.79 A): 0 out of 6 assignments used, low quality = 0.32: HA LYS 86 - HG3 ARG 109 OK 24 81 - 29 - 9276/3.9=4, ~11118=4...(11) HA2 GLY 143 - HG3 ARG 109 OK 11 68 - 17 - 9276/3.9=4, 11637/2.8=3...(8) HD3 PRO 129 - HG3 ARG 109 lone 4 85 - 5 - 9276/3.9=1, ~10743=1 HA LEU 29 - HG3 ARG 109 lone 4 89 - 4 - 3.6/10733=1 HA TYR 112 - HG3 ARG 109 lone 3 85 - 4 - 10223/10689=2 HD2 PRO 129 - HG3 ARG 109 lone 3 68 - 4 - ~3539=1 Peak 10747 from aliabs.peaks (3.09, 1.00, 28.66 ppm; 5.76 A): 5 out of 5 assignments used, quality = 0.76: HA2 GLY 78 + HG12 ILE 136 OK 36 77 - 46 - 9669/2.1=17...(8) HD3 ARG 49 + HG12 ILE 136 OK 29 72 - 40 - 9669/2.1=18, 10749/3.7=9...(6) HA ALA 105 + HG12 ILE 136 OK 26 68 - 39 - ~9221=7, 10335/2.3=7...(8) HB3 HIS 10 + HG12 ILE 136 OK 20 94 - 21 - 10749/3.7=7, 9669/2.1=6...(5) HA TYR 119 + HG12 ILE 136 OK 12 68 - 18 - 9669/2.1=5, 10335/2.3=4...(5) Peak 10748 from aliabs.peaks (3.32, 3.71, 64.37 ppm; 5.92 A): 3 out of 3 assignments used, quality = 0.88: HD2 ARG 124 + HA ILE 136 OK 65 98 - 67 - 9668/4.2=14...(18) HD3 ARG 109 + HA ILE 136 OK 52 99 - 53 - 10237/3.2=18...(8) HB2 TRP 88 + HA ILE 136 OK 31 96 - 32 - 9668/4.2=10, 1.8/10749=8...(6) Peak 10749 from aliabs.peaks (3.09, 3.71, 64.37 ppm; 5.64 A): 4 out of 4 assignments used, quality = 0.70: HA2 GLY 78 + HA ILE 136 OK 36 89 - 40 - 9669/4.2=14, 10747/3.7=9...(8) HD3 ARG 49 + HA ILE 136 OK 29 85 - 35 - 9669/4.2=15, 10747/3.7=7...(5) HB3 HIS 10 + HA ILE 136 OK 20 99 - 20 - 9669/4.2=5, 10747/3.7=5...(6) HB3 TRP 88 + HA ILE 136 OK 18 62 - 29 - 9669/4.2=9, 1.8/10748=8...(4) Peak 10750 from aliabs.peaks (3.31, 1.67, 28.66 ppm; 6.80 A): 6 out of 12 assignments used, quality = 0.93: HD2 ARG 124 + HG13 ILE 136 OK 67 96 - 69 - 9668/2.1=18...(20) HB2 TRP 88 + HG13 ILE 136 OK 46 98 - 47 - 9668/2.1=13, ~9669=10...(8) HD3 ARG 109 + HG13 ILE 136 OK 36 62 - 58 - ~10335=17, ~11132=15...(8) HD2 ARG 124 + HD2 LYS 48 OK 15 79 - 18 - 11074/3.0=2, 1.8/4253=1...(5) HD2 ARG 124 + HD3 LYS 93 OK 15 78 - 18 - 10678/3800=1 HD2 ARG 124 + HD3 LYS 48 OK 12 63 - 19 - 11074/3.0=2, ~4253=1...(4) HB2 TRP 88 - HD2 LYS 48 poor 9 81 - 10 - ~10067=3, ~4013=2, 1.8/10751=1 HB2 TRP 88 - HD3 LYS 48 poor 7 65 - 10 - ~10067=3, ~4013=2, ~10751=1 HB2 TRP 88 - HD3 LYS 93 lone 6 80 - 7 - HD3 ARG 109 - HD3 LYS 93 lone 5 46 - 10 - HD3 ARG 109 - HD2 LYS 48 lone 4 47 - 9 - 10744/5.3=2 HD3 ARG 109 - HD3 LYS 48 lone 3 36 - 8 - 10744/5.3=2 Peak 10751 from aliabs.peaks (3.08, 1.67, 28.66 ppm; 5.18 A): 7 out of 20 assignments used, quality = 0.89: HA2 GLY 78 + HG13 ILE 136 OK 42 100 - 42 - 9669/2.1=17, 10749/3.7=8...(7) HB3 TRP 88 + HG13 ILE 136 OK 40 92 - 43 - 9669/2.1=10, ~9668=9...(9) HD3 ARG 49 + HG13 ILE 136 OK 37 100 - 37 - 9669/2.1=17, 10749/3.7=7...(6) HB3 HIS 10 + HG13 ILE 136 OK 19 100 - 19 - 9669/2.1=6, 10749/3.7=5...(5) HD3 ARG 49 + HD2 LYS 48 OK 18 84 - 22 - 6.4/1204=5, 1297/3.0=4...(6) HD3 ARG 49 + HD3 LYS 48 OK 14 68 - 20 - 6.4/1204=4, 1297/3.0=4...(6) HA2 GLY 78 + HD3 LYS 93 OK 11 84 - 13 - ~8709=3, ~8708=3...(4) HD3 ARG 49 - HD3 LYS 93 lone 6 83 - 7 - 6.4/7404=1 HB3 TRP 88 - HD2 LYS 48 lone 5 74 - 6 - ~10067=2, ~4013=1 HB3 TRP 88 - HD3 LYS 48 lone 4 58 - 6 - ~10067=2, ~4013=1 HA2 GLY 78 - HD2 LYS 48 lone 3 85 - 4 - HB3 TRP 88 - HD3 LYS 93 lone 3 73 - 4 - HA2 GLY 78 - HD3 LYS 48 lone 3 69 - 4 - HB3 HIS 10 - HD3 LYS 93 lone 2 83 - 2 - HB3 ASP 30 - HG13 ILE 136 lone 2 85 - 2 - HB3 HIS 10 - HD2 LYS 48 lone 1 84 - 2 - HB3 HIS 10 - HD3 LYS 48 lone 1 68 - 2 - HB3 ASP 30 - HD3 LYS 93 lone 1 66 - 1 - HB3 ASP 30 - HD2 LYS 48 lone 1 67 - 1 - HB3 ASP 30 - HD3 LYS 48 lone 1 53 - 1 - Peak 10752 from aliabs.peaks (2.79, 0.78, 13.00 ppm; 4.25 A): 4 out of 6 assignments used, quality = 0.75: HB3 ASN 139 + QD1 ILE 136 OK 44 89 - 49 - 4601/4.2=18...(6) HG3 GLN 111 + QD1 ILE 136 OK 33 85 - 39 - 3.0/10341=8, ~11485=7...(13) HB3 ASP 41 + QD1 ILE 136 OK 25 99 - 25 - 10462/3.0=6, 4601/4.2=5...(7) HB3 ASN 84 + QD1 ILE 136 OK 11 100 - 10 - 1.8/9670=2, ~9676=2...(4) HB3 TYR 119 - QD1 ILE 136 poor 9 72 - 12 - 3.0/9669=6, ~10335=2, ~10747=1 HB2 ASN 128 - QD1 ILE 136 lone 8 89 - 9 - 3.4/9663=2, 10336/3.0=1...(4) Peak 10755 from aliabs.peaks (4.27, 0.78, 13.00 ppm; 5.39 A): 4 out of 6 assignments used, quality = 0.96: HA ALA 135 + QD1 ILE 136 OK 67 77 - 87 - ~10964=29, 3.6/4635=22...(16) HA SER 138 + QD1 ILE 136 OK 64 96 - 66 - ~9701=20, 4.9/10326=14...(12) HB THR 99 + QD1 ILE 136 OK 40 96 - 41 - 2.1/10467=8, 4.4/9663=8...(10) HA3 GLY 78 + QD1 ILE 136 OK 39 96 - 41 - 1.8/9669=18, ~10747=8...(7) HA LEU 95 - QD1 ILE 136 OK 39 100 - 38 - 4.3/10759=5, 3121/2.1=3...(17) HA ARG 49 - QD1 ILE 136 OK 29 96 - 30 - 5.2/9669=11, 3.0/9688=5...(6) Peak 10756 from aliabs.peaks (4.65, 0.78, 13.00 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.94: HA ASN 139 + QD1 ILE 136 OK 84 99 - 85 - ~10336=23, ~10462=23...(11) HA GLN 111 + QD1 ILE 136 OK 56 92 - 62 - 3.9/10752=12, ~11044=10...(19) HA ASP 32 + QD1 ILE 136 OK 16 92 - 17 - 3.8/9667=6, 3.8/9667=3...(4) HA ASP 16 - QD1 ILE 136 lone 10 100 - 10 - 4241/9668=1, 3.0/9670=1 HA GLN 62 - QD1 ILE 136 poor 9 68 - 13 - 2.9/9663=5, ~6586=1 HA LEU 87 - QD1 ILE 136 lone 5 62 - 8 - ~6992=1 Peak 10759 from aliabs.peaks (1.75, 0.78, 13.00 ppm; 3.58 A): 5 out of 7 assignments used, quality = 0.85: HG LEU 66 + QD1 ILE 136 OK 50 94 - 53 - 2.1/9685=10, ~9892=5...(17) HG3 ARG 140 + QD1 ILE 136 OK 45 68 - 67 - 1.8/4640=6, 2.9/10504=6...(41) HB2 PRO 12 + QD1 ILE 136 OK 22 98 - 22 - 11135=3, 79/2.5=2...(4) HG LEU 95 + QD1 ILE 136 OK 19 98 - 20 - 11135=2, 4.3/10755=2...(6) HB2 ARG 49 + QD1 ILE 136 OK 14 72 - 20 - 3.7/9669=8, 1.8/9688=4...(4) HB2 GLU 81 - QD1 ILE 136 lone 3 62 - 5 - 4.6/8792=2 HB3 ARG 35 - QD1 ILE 136 lone 2 68 - 3 - Peak 10760 from aliabs.peaks (1.39, 1.93, 27.86 ppm; 3.98 A): 4 out of 9 assignments used, quality = 0.98: HB VAL 82 + HG13 ILE 83 OK 76 100 - 77 - 2.1/9991=21, ~10020=19...(11) HG LEU 132 + HG13 ILE 83 OK 60 81 - 74 - ~10018=23, ~9999=19...(25) HG2 LYS 86 + HG13 ILE 83 OK 52 100 - 53 - 2705=8, 10005/2.1=8...(21) HB3 LEU 39 + HG13 ILE 83 OK 46 77 - 60 - 10025/2.1=6, 3.2/2536=5...(29) HG2 ARG 49 - HG13 ILE 83 OK 42 92 - 46 - 3.0/11136=13, ~10003=5...(18) HG LEU 116 - HG13 ILE 83 OK 36 62 - 58 - ~10021=11, 10005/2.1=11...(16) HB2 ARG 109 - HG13 ILE 83 OK 29 100 - 29 - 9273/2.1=9, 1.8/11118=5...(8) HB2 LEU 69 - HG13 ILE 83 OK 23 98 - 24 - 11043/3.2=3, 10025/2.1=2...(7) HG2 LYS 36 - HG13 ILE 83 lone 4 68 - 6 - Peak 10761 from aliabs.peaks (1.69, 1.93, 27.86 ppm; 4.16 A): 4 out of 6 assignments used, quality = 0.92: HB3 LEU 95 + HG13 ILE 83 OK 58 81 - 72 - 3139/3.0=7, ~3131=7...(31) HG LEU 97 + HG13 ILE 83 OK 52 92 - 57 - ~11006=17, 2.1/2533=6...(15) HD2 LYS 86 + HG13 ILE 83 OK 42 89 - 48 - 1.8/2738=6, 2727=6...(20) HG LEU 26 + HG13 ILE 83 OK 28 100 - 28 - ~10571=9, ~10913=5...(7) HD2 LYS 93 - HG13 ILE 83 poor 10 62 - 16 - ~10002=2, ~10022=2...(8) HG3 ARG 141 - HG13 ILE 83 lone 2 89 - 2 - Peak 10762 from aliabs.peaks (3.13, 1.93, 27.86 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.99: HA VAL 80 + HG13 ILE 83 OK 96 100 - 96 - ~10028=35, 2411/4.4=34...(23) HA LEU 79 + HG13 ILE 83 OK 79 92 - 86 - 10773/1.8=20...(19) HB3 ASN 96 - HG13 ILE 83 OK 25 62 - 40 - ~9084=11, ~10100=9...(8) HD3 ARG 145 - HG13 ILE 83 OK 24 62 - 38 - ~10008=5, ~10029=5...(13) HB3 PHE 106 - HG13 ILE 83 OK 23 89 - 26 - 2.5/9231=6, 10773/1.8=4...(6) Peak 10763 from aliabs.peaks (2.95, 4.11, 62.82 ppm; 6.80 A): 5 out of 11 assignments used, quality = 0.82: HB3 ASN 130 + HA THR 99 OK 38 89 - 43 - ~10117=17, 10385/3.0=14...(6) HE2 LYS 93 + HA THR 99 OK 37 98 - 38 - ~10116=13, 10116/3.2=8...(10) HE3 LYS 93 + HA THR 99 OK 33 98 - 34 - 10116/3.2=11, ~10116=9...(6) HE3 LYS 48 + HA THR 99 OK 18 100 - 18 - 10116/3.2=4, ~10116=4...(6) HE2 LYS 48 + HA THR 99 OK 17 96 - 18 - ~10116=5, 10116/3.2=3...(6) HE2 LYS 85 - HA THR 99 lone 7 99 - 7 - ~10116=2, 10116/3.2=1 HE3 LYS 85 - HA THR 99 lone 6 100 - 6 - 10116/3.2=2, ~10116=1 HB2 TYR 115 - HA THR 99 lone 6 96 - 6 - 2.9/9158=2 HB2 PHE 106 - HA THR 99 lone 5 94 - 6 - ~10115=3 HB2 TYR 119 - HA THR 99 lone 3 92 - 4 - HB3 PHE 67 - HA THR 99 lone 3 94 - 3 - Peak 10764 from aliabs.peaks (4.08, 2.95, 41.80 ppm; 4.39 A): 3 out of 25 assignments used, quality = 0.52: HA GLU 90 + HE2 LYS 93 OK 39 100 - 39 - 2915/5.1=21, 3033/5.1=12...(4) HA LEU 132 + HE2 LYS 93 OK 12 100 - 12 - 4477/3.8=3, 3033/5.1=2...(4) HA VAL 53 + HE2 LYS 93 OK 11 100 - 11 - 3033/5.1=4, 3021/5.1=4 HA GLU 90 - HE2 LYS 85 lone 7 100 - 7 - 2915/3091=3, 3033/3042=1 HA GLU 90 - HE2 LYS 48 lone 7 100 - 7 - 2915/3091=3, 3033/3042=1 HA LYS 34 - HE2 LYS 93 lone 7 99 - 7 - 3033/5.1=2, 3021/5.1=1 HA GLU 90 - HE3 LYS 48 lone 7 98 - 7 - 2915/3091=3, 3033/3042=1 HA LEU 132 - HE2 LYS 85 lone 6 100 - 6 - 4477/3.5=1, 2.8/9589=1 HA GLU 90 - HE3 LYS 85 lone 6 87 - 7 - 2915/3091=3, 3033/3042=1 HA LEU 132 - HE3 LYS 85 lone 5 87 - 5 - 4477/3.5=1, ~9589=1 HA LEU 132 - HE2 LYS 48 lone 4 100 - 4 - HA LEU 132 - HE3 LYS 48 lone 4 98 - 4 - HD3 PRO 118 - HE2 LYS 93 lone 3 81 - 3 - HA VAL 53 - HE2 LYS 48 lone 3 100 - 3 - HA VAL 53 - HE3 LYS 48 lone 2 98 - 2 - HA VAL 53 - HE2 LYS 85 lone 2 100 - 2 - HD3 PRO 118 - HE2 LYS 85 lone 2 81 - 3 - HA LYS 34 - HE2 LYS 85 lone 2 99 - 2 - HA LYS 34 - HE2 LYS 48 lone 2 99 - 2 - HA LYS 34 - HE3 LYS 48 lone 2 96 - 2 - HA VAL 53 - HE3 LYS 85 lone 2 86 - 2 - HA LYS 34 - HE3 LYS 85 lone 2 84 - 2 - HD3 PRO 118 - HE2 LYS 48 lone 1 81 - 2 - HD3 PRO 118 - HE3 LYS 85 lone 1 64 - 2 - HD3 PRO 118 - HE3 LYS 48 lone 1 77 - 2 - Peak 10766 from aliabs.peaks (2.02, 1.24, 42.12 ppm; 6.29 A): 2 out of 9 assignments used, quality = 0.98: HB2 GLU 90 + HB3 LEU 87 OK 91 100 - 91 - 8898/3.1=34...(17) HB3 GLU 90 + HB3 LEU 87 OK 76 81 - 93 - ~8898=29, ~8898=26...(16) QE MET 59 - HB3 LEU 87 OK 30 94 - 31 - 10566/3.0=8, 10565/1.8=4...(11) HG3 GLU 122 - HB3 LEU 87 OK 27 100 - 27 - 1.8/9458=14, 9457/8878=4...(7) QE MET 113 - HB3 LEU 87 OK 22 81 - 27 - 9330/8878=13...(4) HB VAL 63 - HB3 LEU 87 poor 9 81 - 11 - 9577/8878=1, 8349/1565=1 HB3 GLU 37 - HB3 LEU 87 lone 7 89 - 8 - 8898/3.1=2, ~8898=2, ~8898=1 HB2 GLU 37 - HB3 LEU 87 lone 6 81 - 8 - ~8898=2, 8898/3.1=2 HG3 PRO 52 - HB3 LEU 87 lone 3 62 - 5 - 4085/9458=1 Peak 10767 from aliabs.peaks (2.28, 1.24, 42.12 ppm; 6.80 A): 2 out of 9 assignments used, quality = 0.97: HG2 GLU 90 + HB3 LEU 87 OK 94 100 - 94 - ~10973=27, ~8898=27...(18) HG2 GLU 120 + HB3 LEU 87 OK 45 94 - 47 - ~8642=14, ~8893=8...(11) HB3 MET 113 - HB3 LEU 87 OK 39 98 - 40 - 9324/8878=14...(11) HG3 GLU 120 - HB3 LEU 87 OK 33 72 - 46 - ~8642=10, 8642/3.2=9...(11) HG3 PRO 129 - HB3 LEU 87 OK 32 72 - 44 - ~4359=7, ~4391=6...(12) HG3 GLU 75 - HB3 LEU 87 OK 31 72 - 43 - 8642/3.2=14, ~8892=13...(9) HG2 GLN 62 - HB3 LEU 87 OK 28 62 - 44 - 3.9/2786=6, ~8368=5...(17) HG3 GLU 142 - HB3 LEU 87 OK 14 100 - 14 - ~10507=2, ~10378=2...(4) HG2 GLU 131 - HB3 LEU 87 OK 13 100 - 13 - 10008/8878=2...(6) Peak 10768 from aliabs.peaks (2.28, 1.62, 42.12 ppm; 6.49 A): 3 out of 16 assignments used, quality = 0.97: HG2 GLU 90 + HB2 LEU 87 OK 87 96 - 90 - 1.8/10973=26, ~8898=25...(16) HG3 GLU 81 + HB2 LEU 87 OK 56 68 - 83 - ~8781=36, ~8781=22...(11) HG2 GLU 120 + HB2 LEU 87 OK 47 99 - 47 - ~8642=13, 8642/3.2=8...(12) HG3 GLU 120 - HB2 LEU 87 OK 40 85 - 47 - 8642/3.2=12, ~8642=9...(12) HG3 GLU 75 - HB2 LEU 87 OK 39 85 - 46 - 8642/3.2=19, ~8892=12...(8) HG3 GLU 75 - HB3 LEU 64 OK 35 53 - 66 - ~8634=15, ~8629=10...(18) HB3 MET 113 - HB2 LEU 87 OK 27 92 - 30 - 10767/1.8=5...(9) HB3 MET 113 - HB3 LEU 64 OK 15 59 - 26 - ~9319=7, 9323/3.1=7...(5) HG3 GLU 142 - HB2 LEU 87 OK 15 98 - 15 - ~10507=2, ~10378=2...(4) HG2 GLU 131 - HB2 LEU 87 OK 11 98 - 12 - 10767/1.8=2, 8899/3.1=1...(4) HG2 GLU 120 - HB3 LEU 64 poor 8 67 - 12 - HG3 GLU 142 - HB3 LEU 64 poor 8 66 - 12 - ~10634=2, ~10633=1, ~11023=1 HG2 GLU 131 - HB3 LEU 64 poor 8 66 - 11 - ~10291=3, ~9558=2...(4) HG2 GLU 90 - HB3 LEU 64 poor 7 64 - 11 - 8899/2803=1, 1.8/10973=1...(4) HG3 GLU 120 - HB3 LEU 64 poor 6 53 - 11 - HG3 GLU 81 - HB3 LEU 64 poor 6 40 - 14 - ~8373=3, ~8373=3, 8790/8880=2 Peak 10769 from aliabs.peaks (2.27, 1.31, 26.06 ppm; 6.37 A): 3 out of 18 assignments used, quality = 0.99: HG2 GLU 90 + HG LEU 87 OK 89 98 - 91 - ~8898=29, ~9807=26...(15) HG3 GLU 90 + HG LEU 87 OK 75 81 - 92 - ~8898=29, ~8898=25...(17) HB3 MET 113 + HG LEU 79 OK 66 67 - 98 - ~9327=42, 9323/2.1=42...(20) HG2 GLN 62 - HG LEU 87 OK 39 94 - 41 - 4.9/9819=6, 8893/2.1=5...(16) HG3 GLN 62 - HG LEU 87 OK 38 92 - 41 - 4.9/9819=6, ~8893=5...(14) HB3 MET 113 - HG LEU 87 OK 30 100 - 30 - 9323/2393=5...(9) HG2 GLU 120 - HG LEU 87 OK 27 62 - 44 - ~8642=14, ~8893=9...(10) HG2 GLN 62 - HG LEU 79 OK 26 60 - 43 - 8345/2.1=14, ~8345=13...(8) HG3 GLN 62 - HG LEU 79 OK 24 58 - 41 - 8345/2.1=14, ~8345=12...(8) HG3 PRO 129 - HG LEU 87 OK 20 98 - 21 - 4399/4.3=6, ~8368=3...(6) HG2 GLU 131 - HG LEU 79 OK 15 63 - 24 - 9559/2.1=4, ~9562=4...(6) HG2 GLU 90 - HG LEU 79 OK 14 65 - 22 - ~8734=9, ~8734=7, 8899/2805=2 HG2 GLU 131 - HG LEU 87 OK 12 96 - 12 - 10131/10129=3...(5) HG3 GLU 142 - HG LEU 79 poor 8 63 - 13 - ~8735=5, ~8735=2, 9559/2.1=2 HG3 GLU 90 - HG LEU 79 poor 8 49 - 16 - 8734/2.1=7, 9807/2813=2...(5) HG3 GLU 142 - HG LEU 87 lone 8 96 - 8 - 10767/3.0=1 HG3 PRO 129 - HG LEU 79 poor 7 65 - 11 - 8734/2.1=4, 9576/10979=1 HG2 GLU 120 - HG LEU 79 lone 2 36 - 6 - 9559/2.1=1 Peak 10770 from aliabs.peaks (1.85, 1.62, 42.12 ppm; 5.10 A): 3 out of 14 assignments used, quality = 0.98: HB3 LYS 76 + HB2 LEU 87 OK 85 100 - 85 - 8897/3.1=21, ~8654=18...(19) HB3 LYS 85 + HB2 LEU 87 OK 75 85 - 88 - ~10046=18, 10039/3.1=17...(18) HB3 LEU 126 + HB3 LEU 64 OK 49 66 - 75 - 4287/3.1=16, ~4279=11...(20) HB3 LEU 126 - HB2 LEU 87 OK 45 98 - 46 - 11673/4.0=12...(15) HB2 LYS 48 - HB2 LEU 87 OK 42 72 - 59 - ~10091=8, 8891/3.2=6...(25) HG LEU 69 - HB3 LEU 64 OK 37 67 - 55 - ~11376=13, ~10624=11...(8) HB2 LYS 93 - HB2 LEU 87 OK 30 72 - 42 - 8897/3.1=9, 11144/1.8=6...(10) HB3 GLU 28 - HB2 LEU 87 OK 23 100 - 23 - 3.0/10542=6, ~10543=5...(7) HB3 LYS 76 - HB3 LEU 64 OK 13 68 - 19 - ~10623=4, 8657/8880=3...(6) HG LEU 69 - HB2 LEU 87 lone 8 99 - 8 - 8897/3.1=2, 8891/3.2=2 HB3 LYS 85 - HB3 LEU 64 poor 6 53 - 11 - 4.6/11672=2...(3) HB2 LYS 93 - HB3 LEU 64 poor 5 43 - 12 - ~11014=4, ~10090=2, ~11012=1 HB2 LYS 48 - HB3 LEU 64 poor 5 43 - 10 - ~11014=2 HB3 GLU 28 - HB3 LEU 64 lone 3 69 - 5 - ~10541=2 Peak 10771 from aliabs.peaks (1.43, 0.71, 22.08 ppm; 3.56 A): 3 out of 4 assignments used, quality = 0.81: HG2 LYS 24 + QD2 LEU 87 OK 49 81 - 61 - 1.8/2805=10, 10907/2.1=7...(26) HG12 ILE 91 + QD2 LEU 87 OK 43 96 - 44 - 2.1/10060=13, ~10062=11...(10) HG2 LYS 48 + QD2 LEU 87 OK 35 89 - 39 - 11145/2.1=7, 1.8/2803=5...(17) HD2 LYS 114 - QD2 LEU 87 poor 9 89 - 10 - 3.0/8900=2, ~8880=1...(4) Peak 10772 from aliabs.peaks (1.45, 0.72, 25.72 ppm; 3.64 A): 4 out of 7 assignments used, quality = 0.93: HB3 LYS 123 + QD1 LEU 87 OK 66 99 - 67 - 1.8/9465=18...(25) HG2 LYS 24 + QD1 LEU 87 OK 51 81 - 63 - 1.8/2813=10, 10907/2.1=8...(25) HB3 LYS 114 + QD1 LEU 87 OK 36 100 - 36 - 11145=8, 3764/4.4=7...(10) HG2 LYS 48 + QD1 LEU 87 OK 33 72 - 45 - 2.9/10091=6, 2.9/10091=6...(16) HG LEU 126 - QD1 LEU 87 OK 26 92 - 28 - 6995/4.4=3, 3.0/8891=3...(11) HG3 LYS 86 - QD1 LEU 87 OK 21 89 - 24 - 2724/4.4=8, 4.9/8870=8...(5) HB3 LEU 66 - QD1 LEU 87 poor 10 77 - 13 - 11145=3, 3.9/11401=2 Peak 10773 from aliabs.peaks (3.14, 1.32, 27.86 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.98: HA VAL 80 + HG12 ILE 83 OK 91 99 - 92 - 8742/2.1=27, 2411/4.4=23...(24) HA LEU 79 + HG12 ILE 83 OK 79 99 - 80 - 10008/2.1=13, 2359=13...(17) HB3 PHE 106 - HG12 ILE 83 OK 17 72 - 24 - 4.0/9226=8, 2505/3.0=3...(8) HB2 TYR 70 - HG12 ILE 83 lone 6 77 - 8 - 6901/4.4=1, 2505/3.0=1 Peak 10774 from aliabs.peaks (7.50, 3.67, 64.81 ppm; 6.55 A): 1 out of 1 assignment used, quality = 0.52: H TYR 70 + HA ILE 83 OK 52 100 - 52 - 10778/3.2=34...(9) Peak 10775 from aliabs.peaks (7.62, 3.67, 64.81 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.72: H VAL 82 + HA ILE 83 OK 72 72 - 99 - 4.0/9988=48, 3.2/8819=42...(21) Peak 10776 from aliabs.peaks (7.99, 3.67, 64.81 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.36: H VAL 73 - HA ILE 83 OK 36 72 - 50 - 4.4/11547=27...(4) H GLN 47 - HA ILE 83 lone 8 100 - 8 - 9908/11547=1...(3) Peak 10777 from aliabs.peaks (7.36, 0.86, 16.44 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.43: H ASP 41 - QG2 ILE 83 OK 28 68 - 41 - ~10018=12, 3.8/10006=12...(8) H GLY 77 - QG2 ILE 83 OK 20 99 - 21 - 10488/9729=3...(7) Peak 10778 from aliabs.peaks (7.50, 0.86, 16.44 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.52: H TYR 70 + QG2 ILE 83 OK 52 99 - 53 - 10774/3.2=38...(6) Peak 10779 from aliabs.peaks (6.95, 0.68, 15.18 ppm; 5.23 A): 0 out of 2 assignments used, low quality = 0.19: QD PHE 23 - QD1 ILE 83 OK 19 92 - 21 - 8835/3.1=8...(5) HD2 HIS 10 - QD1 ILE 83 lone 8 89 - 8 - 8097/10031=2, 10555/10571=2 Peak 10780 from aliabs.peaks (6.74, 0.68, 15.18 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10781 from aliabs.peaks (6.43, 0.68, 15.18 ppm; 6.77 A): 1 out of 1 assignment used, quality = 0.93: HH2 TRP 88 + QD1 ILE 83 OK 93 100 - 93 - 5.0/10024=43...(12) Peak 10782 from aliabs.peaks (6.84, 0.86, 16.44 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.92: HZ2 TRP 88 + QG2 ILE 83 OK 90 98 - 92 - 2.8/8836=37...(17) QD PHE 67 + QG2 ILE 83 OK 18 98 - 19 - 10039/3.1=6, 8834/3.2=4...(7) Peak 10783 from aliabs.peaks (6.42, 0.86, 16.44 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.75: HH2 TRP 88 + QG2 ILE 83 OK 75 77 - 97 - 5.0/8836=45...(12) Peak 10784 from aliabs.peaks (0.60, 1.93, 27.86 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 132 + HG13 ILE 83 OK 95 100 - 96 - ~10018=48, ~9999=41...(31) QD1 LEU 66 + HG13 ILE 83 OK 94 100 - 94 - 10004/2.1=15...(30) QG1 VAL 71 - HG13 ILE 83 OK 37 98 - 38 - 10004/2.1=5, 11152/1.8=5...(11) Peak 10785 from aliabs.peaks (0.78, 1.93, 27.86 ppm; 5.32 A): 3 out of 7 assignments used, quality = 0.95: QD1 ILE 136 + HG13 ILE 83 OK 70 89 - 79 - ~10021=19, 10454/4.4=12...(27) QD2 LEU 95 + HG13 ILE 83 OK 65 77 - 85 - 9075/3.8=17...(25) QD1 LEU 79 + HG13 ILE 83 OK 56 68 - 82 - 11153/1.8=12...(23) QG2 VAL 73 - HG13 ILE 83 OK 32 77 - 42 - ~10000=26, 11036/9991=9...(5) QD2 LEU 72 - HG13 ILE 83 OK 29 96 - 30 - 11153/1.8=3, ~11153=2...(13) QD1 LEU 72 - HG13 ILE 83 OK 16 62 - 26 - 11153/1.8=3, ~11153=3...(9) QG2 THR 74 - HG13 ILE 83 OK 10 62 - 16 - ~11041=5, ~10658=3...(4) Peak 10786 from aliabs.peaks (0.64, 3.84, 56.99 ppm; 4.10 A): 3 out of 4 assignments used, quality = 0.70: QD1 LEU 126 + HA LEU 66 OK 48 89 - 55 - 2.1/1874=7, 4302/3.0=6...(25) QD2 LEU 79 + HA LEU 66 OK 31 100 - 31 - ~11441=4, 8478/8390=3...(11) QD1 ILE 56 + HA LEU 66 OK 15 85 - 18 - 10595/10563=5, ~8379=3...(5) QD2 LEU 64 - HA LEU 66 poor 9 62 - 15 - 9847/2.8=3, 8478/8390=2...(5) Peak 10789 from aliabs.peaks (6.25, 1.58, 43.18 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.28: QE TYR 119 - HB2 LEU 66 OK 28 68 - 41 - 11158/3.1=15...(4) Peak 10790 from aliabs.peaks (6.32, 1.47, 43.18 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10791 from aliabs.peaks (6.28, 0.69, 24.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.67: QE PHE 38 + QD2 LEU 66 OK 67 72 - 93 - 2.2/10991=44, ~9904=42...(10) Peak 10792 from aliabs.peaks (0.03, 0.69, 24.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.87: QD1 LEU 39 + QD2 LEU 66 OK 87 89 - 98 - ~11496=22, ~10990=22...(48) Peak 10794 from aliabs.peaks (7.16, 1.40, 25.32 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.45: QD TYR 117 + HG2 LYS 36 OK 45 62 - 73 - ~10613=33, ~10796=26...(7) Peak 10796 from aliabs.peaks (6.57, 1.58, 25.32 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.72: QE TYR 117 + HG3 LYS 36 OK 72 92 - 79 - 10613/3.0=47, ~10794=40...(8) Peak 10797 from aliabs.peaks (6.69, 1.73, 28.90 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.81: QE TYR 27 + HD2 LYS 36 OK 78 81 - 96 - 11180/5.3=31...(21) QE TYR 27 + HB3 GLU 81 OK 11 57 - 19 - 11180/706=3, 11490/722=2...(7) QE TYR 27 - HB2 GLU 81 poor 10 48 - 20 - 11180/706=3, 11490/722=2...(9) Peak 10798 from aliabs.peaks (2.42, 3.02, 42.13 ppm; 5.52 A): 5 out of 18 assignments used, quality = 0.95: HB3 PRO 118 + HE3 LYS 36 OK 57 99 - 58 - 3959/4.8=6, ~719=5...(22) HB3 PRO 118 + HE2 LYS 36 OK 57 99 - 58 - 3959/4.8=6, ~719=5...(22) HB3 PRO 33 + HE3 LYS 36 OK 35 62 - 57 - ~10611=9, 1.8/10617=8...(17) HB3 PRO 33 + HE2 LYS 36 OK 35 62 - 57 - ~10611=8, 1.8/10617=8...(17) HG2 MET 68 + HE3 LYS 36 OK 30 77 - 39 - ~8445=4, 3.7/739=4...(18) HG2 MET 68 - HE2 LYS 36 OK 30 77 - 39 - ~8445=4, 3.7/728=4...(18) QE MET 46 - HE2 LYS 36 OK 23 99 - 23 - 10695/10615=7...(4) QE MET 46 - HE3 LYS 36 OK 23 100 - 23 - 10695/10615=7...(4) HB ILE 91 - HE2 LYS 36 poor 8 72 - 10 - 9800/3.9=2 HB ILE 91 - HE3 LYS 36 poor 7 72 - 10 - 9800/3.9=2 HG3 GLN 133 - HE3 LYS 36 lone 5 100 - 5 - HG3 GLN 133 - HE2 LYS 36 lone 5 100 - 5 - HG2 GLN 133 - HE3 LYS 36 lone 5 100 - 5 - HG2 GLN 133 - HE2 LYS 36 lone 5 100 - 5 - HG2 GLN 47 - HE3 LYS 36 lone 5 96 - 5 - HG3 GLN 47 - HE3 LYS 36 lone 5 96 - 5 - HG2 GLN 47 - HE2 LYS 36 lone 5 96 - 5 - HG3 GLN 47 - HE2 LYS 36 lone 5 96 - 5 - Peak 10799 from aliabs.peaks (2.23, 3.02, 42.13 ppm; 5.56 A): 4 out of 8 assignments used, quality = 0.97: HG2 GLU 37 + HE3 LYS 36 OK 65 98 - 67 - 11486/3.0=39...(8) HG2 GLU 37 + HE2 LYS 36 OK 65 98 - 67 - 11486/3.0=39...(9) HB2 GLU 28 + HE2 LYS 36 OK 49 98 - 50 - ~10800=20, 3.0/8051=15...(6) HB2 GLU 28 + HE3 LYS 36 OK 49 98 - 50 - ~10800=20, 3.0/8051=15...(6) HG2 GLU 28 - HE3 LYS 36 OK 39 81 - 48 - 10800/3.0=14...(5) HG2 GLU 28 - HE2 LYS 36 OK 39 81 - 48 - 10800/3.0=14, 8051=14...(5) HB3 PRO 12 - HE3 LYS 36 lone 6 92 - 6 - 11046/9762=2, 11252/8034=2 HB3 PRO 12 - HE2 LYS 36 lone 5 91 - 6 - 11046/9762=2, 11252/8034=2 Peak 10800 from aliabs.peaks (2.22, 1.82, 28.90 ppm; 3.68 A): 0 out of 2 assignments used, low quality = 0.20: HG2 GLU 28 - HD3 LYS 36 OK 20 100 - 20 - 8051/3.0=7, 8051/3.0=7...(5) HB2 GLU 28 - HD3 LYS 36 poor 9 89 - 11 - ~8051=4, ~11487=2...(4) Peak 10801 from aliabs.peaks (7.62, 1.40, 30.17 ppm; 6.39 A): 0 out of 1 assignment used, low quality = 0.12: H VAL 82 - HB2 ARG 35 OK 12 72 - 17 - ~8799=6, 9922/8596=2, ~6910=1 Peak 10802 from aliabs.peaks (6.83, 1.40, 30.17 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.82: QD PHE 67 + HB2 ARG 35 OK 69 100 - 69 - ~9776=35, 9803/3.0=21...(8) HZ2 TRP 88 + HB2 ARG 35 OK 42 100 - 42 - 9778/3.0=25, 5.0/601=7...(9) Peak 10804 from aliabs.peaks (1.75, 2.69, 42.22 ppm; 5.76 A): 2 out of 6 assignments used, quality = 0.48: HB2 ARG 49 + HB2 ASP 32 OK 37 92 - 40 - 11168/1.8=16, ~11169=16...(4) HB2 GLU 81 + HB2 ASP 32 OK 19 85 - 22 - 4.0/10813=11, 11168/1.8=9 HG LEU 66 - HB2 ASP 32 lone 7 77 - 9 - 2.1/9858=3, 2.1/8404=3 HB2 PRO 12 - HB2 ASP 32 lone 7 85 - 8 - 3.9/6012=3, 11168/1.8=2 HG3 ARG 140 - HB2 ASP 32 lone 5 89 - 5 - 11168/1.8=2 HG LEU 95 - HB2 ASP 32 lone 4 85 - 5 - 11168/1.8=2 Peak 10805 from aliabs.peaks (1.43, 2.69, 42.22 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.49: HD2 LYS 114 + HB2 ASP 32 OK 29 98 - 29 - ~9340=4, 10268/10813=4...(11) HG12 ILE 91 + HB2 ASP 32 OK 19 85 - 22 - 8091/4.0=13, 10642=4...(4) HG2 LYS 24 + HB2 ASP 32 OK 12 62 - 18 - 10890/4.8=4, ~11371=4...(4) HG3 LYS 93 - HB2 ASP 32 lone 5 62 - 8 - 8091/4.0=4 HG2 LYS 48 - HB2 ASP 32 lone 3 72 - 5 - Peak 10806 from aliabs.peaks (1.02, 2.69, 42.22 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.58: QG2 VAL 53 + HB2 ASP 32 OK 40 99 - 40 - 8241=7, 3.2/8089=6...(13) QD2 LEU 116 + HB2 ASP 32 OK 21 85 - 24 - 5.0/7438=5, 2.1/11095=5...(6) QD2 LEU 69 + HB2 ASP 32 OK 12 99 - 12 - ~11169=3, 9366/3842=1 Peak 10807 from aliabs.peaks (1.79, 3.78, 61.72 ppm; 5.93 A): 5 out of 9 assignments used, quality = 0.89: HG LEU 39 + HA TYR 27 OK 48 62 - 78 - 2.1/8046=50, ~11186=28...(6) HD2 LYS 34 + HA TYR 27 OK 43 96 - 45 - 2.9/285=5, 2.9/285=4...(23) HD3 LYS 86 + HA TYR 27 OK 36 72 - 49 - 1.8/8043=15, 3.0/285=6...(14) HD3 LYS 34 + HA TYR 27 OK 32 72 - 44 - 2.9/285=5, 2.9/285=4...(23) HG LEU 72 + HA TYR 27 OK 17 99 - 17 - ~8546=4, ~8545=4...(6) HG2 PRO 57 - HA TYR 27 lone 7 77 - 9 - 10986/3.7=2, ~6091=2 HB3 ARG 55 - HA TYR 27 lone 4 98 - 4 - 857/8046=2 HB3 MET 59 - HA TYR 27 lone 3 85 - 3 - HB3 ARG 145 - HA TYR 27 lone 2 99 - 2 - Peak 10808 from aliabs.peaks (1.43, 3.78, 61.72 ppm; 5.74 A): 3 out of 4 assignments used, quality = 0.65: HG3 LYS 93 + HA TYR 27 OK 36 72 - 50 - 3.0/8043=15, ~3032=6...(11) HG12 ILE 91 + HA TYR 27 OK 28 77 - 36 - 1.8/8044=17, 3.2/8045=10...(4) HD2 LYS 114 + HA TYR 27 OK 23 100 - 23 - 2.9/8044=7, 10977/8046=5...(7) HG2 LYS 48 - HA TYR 27 poor 9 62 - 14 - 4.9/6435=5, 2.9/11482=3 Peak 10811 from aliabs.peaks (7.80, 2.97, 38.91 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10813 from aliabs.peaks (6.67, 1.87, 32.12 ppm; 5.83 A): 3 out of 3 assignments used, quality = 0.90: * QE TYR 27 + HB2 LYS 36 OK 86 89 - 96 - 4789/3.0=40...(22) QE TYR 27 + HB3 LYS 48 OK 18 73 - 24 - 4789/662=5, 4790/2.9=4...(8) QE TYR 27 + HB2 LYS 48 OK 13 57 - 23 - 4789/662=4, 4790/2.9=4...(9) Peak 10814 from aliabs.peaks (7.16, 1.87, 32.12 ppm; 5.02 A): 0 out of 3 assignments used, low quality = 0.13: QE TYR 115 - HB2 LYS 36 OK 13 68 - 19 - ~10784=9, ~10783=6, 4720/3.0=2 QE TYR 115 - HB3 LYS 48 poor 5 53 - 10 - ~4726=3, 9311/4.3=2 QE TYR 115 - HB2 LYS 48 lone 4 41 - 10 - ~4726=3, 9311/4.3=2 Peak 10815 from aliabs.peaks (6.66, 2.83, 39.41 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10816 from aliabs.peaks (6.68, 4.42, 57.18 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.67: QE TYR 27 + HA ASP 40 OK 67 100 - 67 - 8137/2.9=36, 4809/5.0=22...(7) Peak 10817 from aliabs.peaks (7.24, 2.83, 39.41 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.15: HE3 TRP 88 - HB2 ASP 40 OK 15 81 - 18 - 11184/3.0=9, 8135/3.3=7 HE3 TRP 88 - HB2 ASN 139 lone 2 40 - 4 - Peak 10818 from aliabs.peaks (1.08, 4.36, 52.38 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.78: QD2 LEU 26 + HA ASP 65 OK 78 99 - 79 - 10553=32, 2.1/10902=31...(19) Peak 10819 from aliabs.peaks (1.68, 4.36, 52.38 ppm; 6.62 A): 3 out of 12 assignments used, quality = 0.98: HB2 MET 68 + HA ASP 65 OK 87 99 - 88 - 11529/3.0=49, ~11481=31...(16) HG LEU 26 + HA ASP 65 OK 60 68 - 89 - 2.1/10818=50...(13) HB2 LEU 95 + HA ASP 65 OK 57 85 - 67 - ~8384=12, ~11417=11...(15) HG3 ARG 141 - HA ASP 65 OK 42 94 - 44 - 10505/10818=18, ~11481=6...(11) HD3 LYS 93 - HA ASP 65 OK 31 81 - 38 - 4.9/11615=27, ~11255=6...(7) HG LEU 97 - HA ASP 65 OK 24 92 - 26 - 265/10818=4, 5.3/1860=3...(11) HG13 ILE 136 - HA ASP 65 OK 13 89 - 15 - 9684/9885=2...(5) HD3 LYS 48 - HA ASP 65 OK 12 100 - 12 - 3016/11615=3...(4) HB VAL 71 - HA ASP 65 OK 12 85 - 14 - 2090/9885=3, 11445/3.0=2...(5) HD2 LYS 48 - HA ASP 65 OK 10 85 - 12 - 3016/11615=2...(3) HG2 ARG 89 - HA ASP 65 poor 10 85 - 12 - 1.8/8385=3, ~11255=1...(4) HB2 ARG 145 - HA ASP 65 lone 6 94 - 7 - 4.0/7887=2 Peak 10820 from aliabs.peaks (1.48, 4.36, 52.38 ppm; 6.52 A): 1 out of 5 assignments used, quality = 0.98: HB3 LEU 29 + HA ASP 65 OK 98 100 - 98 - 3.1/8062=30, ~8065=29...(19) HB2 LYS 76 - HA ASP 65 OK 32 92 - 35 - 3.0/8386=15, 6639/3.6=4...(9) QB ALA 134 - HA ASP 65 lone 8 100 - 8 - 382/8062=2, 374/8059=2 HD3 LYS 114 - HA ASP 65 lone 8 92 - 9 - 382/8062=3, 374/8059=2 HG13 ILE 101 - HA ASP 65 lone 6 89 - 7 - 382/8062=2, 374/8059=1...(4) Peak 10821 from aliabs.peaks (3.17, 6.94, 131.34 ppm; 4.96 A): 0 out of 2 assignments used, low quality = 0.11: HD2 ARG 144 - QD PHE 23 OK 11 62 - 18 - 4.0/10514=17 HB2 TRP 17 - QD PHE 23 lone 2 92 - 2 - Peak 10822 from aliabs.peaks (2.75, 6.94, 131.34 ppm; 6.80 A): 6 out of 11 assignments used, quality = 0.82: HG3 MET 113 + QD PHE 23 OK 55 96 - 57 - 3.3/10187=29...(7) HB3 ASP 137 + QD PHE 23 OK 22 99 - 22 - 3.0/11189=15, 9708/10605=1 HE2 LYS 114 + QD PHE 23 OK 16 89 - 18 - 1.8/11191=9, 8725/4796=2 HB3 ASP 40 + QD PHE 23 OK 16 100 - 16 - 1.8/11191=9 HE2 LYS 76 + QD PHE 23 OK 15 100 - 15 - 3.9/11192=3, 8725/4796=3 HE3 LYS 76 + QD PHE 23 OK 13 94 - 14 - 3.9/11192=3, 8725/4796=3 HB2 ASN 54 - QD PHE 23 lone 8 85 - 9 - 1.8/11191=4 HB2 ASN 96 - QD PHE 23 lone 8 85 - 9 - 8725/4796=2, 10121/9962=2 HB3 PHE 43 - QD PHE 23 lone 7 89 - 8 - 8725/4796=2, 9374/9398=1 HB2 PHE 38 - QD PHE 23 lone 6 77 - 7 - 6725/11387=2 HB3 ASP 16 - QD PHE 23 lone 3 81 - 4 - Peak 10823 from aliabs.peaks (3.86, 2.97, 38.91 ppm; 5.43 A): 4 out of 6 assignments used, quality = 0.95: HA LYS 36 + HB3 TYR 27 OK 91 100 - 91 - 4789/4.5=29, ~10971=22...(21) HA MET 68 + HB3 TYR 27 OK 25 100 - 25 - 4.9/10915=8, 4.6/8422=4...(6) HA LEU 72 + HB3 TYR 27 OK 16 92 - 18 - 2.9/6740=6, 3.9/9955=2...(5) HA ALA 104 + HB3 TYR 27 OK 14 77 - 18 - 3.6/9229=12, 7234/303=1 HD2 PRO 118 - HB3 TYR 27 lone 8 100 - 8 - 1.8/11368=2 HB2 SER 127 - HB3 TYR 27 poor 7 68 - 11 - 1.8/10915=6 Peak 10824 from aliabs.peaks (1.59, 2.97, 38.91 ppm; 6.80 A): 2 out of 10 assignments used, quality = 0.80: HG3 LYS 36 + HB3 TYR 27 OK 75 77 - 98 - 3.8/11208=47, ~10971=33...(21) HB2 LEU 66 + HB3 TYR 27 OK 20 68 - 29 - 3.1/9898=9, ~9903=5...(7) HG2 ARG 144 - HB3 TYR 27 lone 9 94 - 9 - 652/11208=3, 11181/4.5=2 HG LEU 108 - HB3 TYR 27 lone 7 77 - 9 - ~10226=4, 11181/4.5=1 HB2 LEU 97 - HB3 TYR 27 lone 6 85 - 7 - 11424/4503=4 HB2 LEU 79 - HB3 TYR 27 lone 6 100 - 6 - 4790/4.5=2 HG2 ARG 141 - HB3 TYR 27 lone 6 81 - 7 - 652/11208=2, 11181/4.5=1 HD2 LYS 61 - HB3 TYR 27 lone 5 100 - 5 - 4790/4.5=1 HD3 LYS 61 - HB3 TYR 27 lone 5 100 - 5 - 4790/4.5=1 HG3 ARG 124 - HB3 TYR 27 lone 4 77 - 5 - 4811/4.5=1 Peak 10825 from aliabs.peaks (5.84, 4.20, 61.03 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10826 from aliabs.peaks (7.36, 4.20, 61.03 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.77: QD PHE 43 + HA PHE 43 OK 72 72 - 100 - 3.1=100 H GLY 77 + HA PHE 43 OK 17 100 - 16 - 6348/3.6=4, ~2343=2...(5) Peak 10827 from aliabs.peaks (0.71, 4.20, 61.03 ppm; 5.67 A): 3 out of 3 assignments used, quality = 0.50: QD2 LEU 87 + HA PHE 43 OK 25 100 - 25 - 8904=8, ~11402=5...(7) QD2 LEU 39 + HA PHE 43 OK 20 62 - 31 - 8130/6.2=12, 11214=8...(4) QD1 LEU 87 + HA PHE 43 OK 18 72 - 24 - 2.1/8904=8, 4.4/8905=5...(6) Peak 10828 from aliabs.peaks (1.05, 4.20, 61.03 ppm; 5.15 A): 4 out of 5 assignments used, quality = 0.88: HB2 LEU 116 + HA PHE 43 OK 55 89 - 62 - ~11213=15, 4743/4.8=15...(14) QD2 LEU 116 + HA PHE 43 OK 45 77 - 59 - ~11213=12, 10687/6.2=10...(14) QG2 THR 110 + HA PHE 43 OK 43 100 - 43 - 4743/4.8=10, 4816/3.1=9...(10) HG3 LYS 114 + HA PHE 43 OK 16 92 - 17 - 10601/6.2=2, 10713/970=1 HG2 ARG 35 - HA PHE 43 lone 7 85 - 8 - 10883/6.2=2, 11219/4.8=2 Peak 10829 from aliabs.peaks (1.29, 4.20, 61.03 ppm; 3.69 A): 0 out of 3 assignments used, low quality = 0.15: QB ALA 104 - HA PHE 43 OK 15 100 - 15 - 4.1/9215=6, 9205/4.8=5 HG LEU 79 - HA PHE 43 poor 8 72 - 12 - 2.1/8618=6, ~8725=1 HG3 LYS 24 - HA PHE 43 lone 2 85 - 3 - ~11342=1 Peak 10830 from aliabs.peaks (1.67, 4.22, 60.96 ppm; 4.09 A): 6 out of 24 assignments used, quality = 0.91: HG13 ILE 136 + HA ILE 101 OK 48 85 - 56 - 4630/3.2=5, ~4622=5...(25) HG LEU 97 + HA ILE 101 OK 38 69 - 55 - 2.1/9122=11, ~10108=6...(20) HD3 LYS 48 + HA PHE 45 OK 33 100 - 33 - 6.0/1019=9, 3.6/1020=7...(8) HD2 LYS 48 + HA PHE 45 OK 31 94 - 33 - 6.0/1019=9, 3.6/1020=7...(8) HD3 LYS 93 + HA ILE 101 OK 26 80 - 33 - 3.4/3035=4, 1.8/3068=3...(10) HB2 MET 68 + HA ILE 101 OK 18 92 - 19 - ~8436=3, 1965/3.0=2...(5) HD3 LYS 48 - HA ILE 101 OK 17 92 - 19 - 3.6/1020=3, 3.6/1021=3...(6) HD2 LYS 48 - HA ILE 101 OK 15 83 - 18 - 3.6/1020=3, 3.6/1021=3...(6) HG2 ARG 89 - HA ILE 101 OK 14 83 - 17 - ~10143=4, 2877/3.0=2...(4) HD3 LYS 93 - HA PHE 45 OK 13 92 - 14 - 1.8/3068=2, 3.4/3035=2...(6) HB2 ARG 145 - HA ILE 101 OK 12 89 - 14 - ~10175=13 HB2 PRO 57 - HA ILE 101 OK 11 52 - 20 - 8263/3.2=3, ~10631=3...(10) HG13 ILE 136 - HA PHE 45 lone 7 96 - 7 - 10461/4.9=1 HG3 ARG 141 - HA ILE 101 lone 4 73 - 6 - HB VAL 71 - HA ILE 101 lone 4 83 - 5 - HB2 MET 68 - HA PHE 45 lone 4 100 - 4 - 1959/4.7=2 HB2 LEU 95 - HA ILE 101 lone 3 83 - 4 - 4.6/11692=1 HG LEU 97 - HA PHE 45 lone 3 81 - 4 - 2.1/9122=1 HG2 ARG 89 - HA PHE 45 lone 3 94 - 3 - HB2 LEU 95 - HA PHE 45 lone 3 94 - 3 - HG3 ARG 141 - HA PHE 45 lone 2 85 - 3 - HB VAL 71 - HA PHE 45 lone 1 94 - 1 - HB2 ARG 145 - HA PHE 45 lone 1 99 - 1 - HB2 PRO 57 - HA PHE 45 lone 1 62 - 1 - Peak 10831 from aliabs.peaks (6.33, 3.45, 38.81 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.77: QD TYR 119 + HB3 PHE 45 OK 77 100 - 77 - 2.2/11502=45...(5) Peak 10832 from aliabs.peaks (8.54, 3.45, 38.81 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.96: H MET 46 + HB3 PHE 45 OK 96 96 - 100 - 4.4=100 Peak 10833 from aliabs.peaks (8.80, 3.45, 38.81 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.98: H PHE 45 + HB3 PHE 45 OK 98 98 - 100 - 3.5=100 Peak 10835 from aliabs.peaks (3.07, 7.11, 130.50 ppm; 6.80 A): 3 out of 9 assignments used, quality = 0.89: HD3 ARG 49 + QE PHE 45 OK 85 92 - 92 - 2.9/11682=46...(12) HA2 GLY 78 + QE PHE 45 OK 16 89 - 19 - 11686/11682=4...(6) HB3 TRP 88 + QE PHE 45 OK 13 100 - 14 - 2843/11682=3...(5) HB2 TYR 27 - QE PHE 45 lone 7 81 - 9 - 2.6/4586=2, ~4589=2 HE2 LYS 86 - QE PHE 45 lone 6 96 - 6 - 1290/9827=2, 8216/10648=1 HB3 ASP 30 - QE PHE 45 lone 6 100 - 6 - 8216/10648=1 HE3 LYS 86 - QE PHE 45 lone 5 94 - 6 - 1290/9827=2, 8216/10648=1 HE3 LYS 34 - QE PHE 45 lone 5 77 - 7 - ~10801=3, 8216/10648=1 HB3 HIS 10 - QE PHE 45 lone 2 68 - 4 - Peak 10836 from aliabs.peaks (2.83, 7.11, 130.50 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.15: HB2 ASN 130 - QE PHE 45 OK 15 89 - 17 - ~4429=5, 4422/2.2=4...(5) HB2 ASP 40 - QE PHE 45 lone 7 98 - 7 - ~11185=4 HE3 LYS 114 - QE PHE 45 lone 5 77 - 6 - 6.3/11491=3 HB2 ASN 139 - QE PHE 45 lone 3 99 - 4 - HB3 ASN 54 - QE PHE 45 lone 3 72 - 4 - ~11185=1 Peak 10837 from aliabs.peaks (2.10, 7.11, 130.50 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.99: HG2 GLU 122 + QE PHE 45 OK 87 89 - 98 - 3.0/10321=45...(15) HG2 PRO 118 + QE PHE 45 OK 80 98 - 82 - 1.8/11550=37...(10) HB3 LYS 36 + QE PHE 45 OK 63 100 - 63 - ~704=15, ~657=15...(12) HG2 PRO 33 - QE PHE 45 OK 24 100 - 24 - 3975/11550=4...(9) HB3 GLN 25 - QE PHE 45 OK 14 100 - 14 - ~10716=2, 11687/11682=2...(5) HG3 PRO 33 - QE PHE 45 poor 10 68 - 14 - 3975/11550=2...(6) HB2 PRO 129 - QE PHE 45 poor 7 62 - 11 - 11687/11682=5...(3) HB3 GLU 142 - QE PHE 45 lone 6 96 - 7 - 9541/10836=1, 8228/10648=1 Peak 10838 from aliabs.peaks (1.94, 7.11, 130.50 ppm; 6.80 A): 3 out of 11 assignments used, quality = 0.95: HB3 GLU 122 + QE PHE 45 OK 74 77 - 96 - 1.8/9446=40...(14) HB2 PRO 118 + QE PHE 45 OK 70 85 - 82 - 2.3/11550=36...(10) HG2 PRO 12 + QE PHE 45 OK 39 92 - 43 - 11254/2.2=19, ~11254=17...(6) HB3 PRO 52 - QE PHE 45 OK 32 100 - 32 - 1363/4.4=8, 11230/2.2=6...(9) HG2 PRO 52 - QE PHE 45 OK 30 100 - 30 - 11230/2.2=6, 1371/4.4=5...(9) HB3 LEU 132 - QE PHE 45 OK 18 100 - 18 - 7463/9427=2...(8) HB ILE 136 - QE PHE 45 OK 15 98 - 15 - 9674/10301=2...(7) HB2 ARG 89 - QE PHE 45 lone 8 94 - 8 - 8227/10648=1 HB2 ARG 140 - QE PHE 45 lone 7 72 - 10 - 3952/11550=2...(4) HG13 ILE 83 - QE PHE 45 lone 7 81 - 8 - 10984/9828=2, 4828/2.2=1 HB3 PRO 98 - QE PHE 45 lone 5 81 - 6 - 11230/2.2=1 Peak 10839 from aliabs.peaks (0.50, 7.11, 130.50 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10840 from aliabs.peaks (6.87, 2.95, 38.31 ppm; 5.80 A): 0 out of 2 assignments used, low quality = 0.38: HZ PHE 23 - HB3 PHE 67 OK 38 98 - 38 - 3.8/10841=22, 11195=19 HD2 HIS 14 - HB3 PHE 67 lone 6 100 - 6 - 10594/10946=3 Peak 10841 from aliabs.peaks (6.94, 2.95, 38.31 ppm; 5.29 A): 0 out of 3 assignments used, low quality = 0.36: QD PHE 23 - HB3 PHE 67 OK 29 100 - 29 - 3.8/10840=23, 9868/3.0=3 HD2 HIS 10 - HB3 PHE 67 OK 11 100 - 10 - 4774/1.8=5...(3) QD TYR 112 - HB3 PHE 67 lone 7 72 - 9 - 2.7/10727=4, 3.7/10725=2 Peak 10842 from aliabs.peaks (6.85, 3.02, 38.31 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.92: QD PHE 67 + HB2 PHE 67 OK 81 81 - 100 - 2.6=100 HZ2 TRP 88 + HB2 PHE 67 OK 58 81 - 72 - ~4637=13, ~5637=12...(15) Peak 10843 from aliabs.peaks (1.20, 3.02, 38.31 ppm; 6.80 A): 5 out of 6 assignments used, quality = 0.84: QD1 LEU 26 + HB2 PHE 67 OK 60 100 - 60 - 8408/3.7=21, 10904=16...(11) HB2 LEU 72 + HB2 PHE 67 OK 23 68 - 35 - 8441/4.4=18, 8423/8450=4...(7) HB3 LEU 108 + HB2 PHE 67 OK 22 99 - 22 - 8408/3.7=9, 8112/8115=3...(6) QG2 THR 18 + HB2 PHE 67 OK 19 77 - 24 - 9869/3.0=11...(3) HG13 ILE 56 + HB2 PHE 67 OK 15 99 - 15 - 8408/3.7=6, 8112/8115=4 HG12 ILE 56 - HB2 PHE 67 lone 8 89 - 9 - 8112/8115=2, 8408/3.7=2 Peak 10844 from aliabs.peaks (0.99, 3.02, 38.31 ppm; 4.73 A): 3 out of 3 assignments used, quality = 0.77: HB2 LEU 39 + HB2 PHE 67 OK 49 92 - 54 - 3.2/8115=16, 3.2/8118=13...(10) QD1 LEU 29 + HB2 PHE 67 OK 48 85 - 56 - 2.1/8068=11, 8063=11...(14) HG12 ILE 136 + HB2 PHE 67 OK 12 68 - 18 - ~9665=6, 11525=3...(7) Peak 10845 from aliabs.peaks (0.55, 1.26, 25.30 ppm; 4.55 A): 6 out of 6 assignments used, quality = 0.91: QD1 ILE 58 + HG3 LYS 61 OK 57 81 - 69 - 10579/4.9=15...(23) QD1 ILE 58 + HG2 LYS 61 OK 39 59 - 66 - 10579/4.9=15...(22) QG2 ILE 58 + HG3 LYS 61 OK 34 57 - 59 - 8330/3.8=13, 8322/4.9=10...(22) QD1 LEU 42 + HG3 LYS 61 OK 22 98 - 22 - 8149/3.8=9, 8149/3.8=9 QG2 ILE 58 + HG2 LYS 61 OK 21 39 - 54 - 8330/3.8=13, 8322/4.9=10...(19) QD1 LEU 42 + HG2 LYS 61 OK 17 76 - 22 - 8149/3.8=9, 8149/3.8=9 Peak 10847 from aliabs.peaks (4.13, 1.58, 26.40 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.85: HA ARG 145 + HG3 ARG 124 OK 66 89 - 75 - 10523/3.0=13, ~4955=8...(28) HA LEU 126 + HG3 ARG 124 OK 54 62 - 87 - 4.0/11072=29...(23) HA GLU 131 - HG3 ARG 124 poor 9 85 - 11 - 10289/3.8=4...(4) Peak 10848 from aliabs.peaks (4.43, 1.18, 21.56 ppm; 3.06 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 18 + QG2 THR 18 OK 100 100 - 100 - 2.1=100 HA ILE 58 - QG2 THR 18 lone 5 100 - 5 - 10855/3.2=1, 11448/4.0=1 HA ASN 84 - QG2 THR 18 lone 1 100 - 1 - HA ASP 40 - QG2 THR 18 lone 1 94 - 1 - Peak 10849 from aliabs.peaks (4.44, 4.43, 70.67 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HB THR 18 + HB THR 18 OK 98 98 - 100 Peak 10850 from aliabs.peaks (4.32, 4.32, 60.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 18 + HA THR 18 OK 100 100 - 100 Peak 10851 from aliabs.peaks (4.31, 1.18, 21.56 ppm; 3.03 A): 1 out of 5 assignments used, quality = 0.81: HA THR 18 + QG2 THR 18 OK 81 92 - 88 - 3.2=85, 3.0/11271=13, ~11260=5 HA ARG 89 - QG2 THR 18 lone 5 94 - 5 - 11264/2.1=2 HA PRO 118 - QG2 THR 18 lone 2 72 - 2 - HA SER 100 - QG2 THR 18 lone 1 94 - 1 - HA ARG 140 - QG2 THR 18 lone 0 62 - 1 - Peak 10852 from aliabs.peaks (4.32, 4.43, 70.67 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: HA THR 18 + HB THR 18 OK 100 100 - 100 - 3.0=100 HA ARG 89 - HB THR 18 lone 6 62 - 9 - 11264=3, 10851/2.1=2...(5) HA SER 100 - HB THR 18 lone 1 62 - 2 - Peak 10853 from aliabs.peaks (1.19, 4.43, 70.67 ppm; 3.70 A): 1 out of 7 assignments used, quality = 1.00: QG2 THR 18 + HB THR 18 OK 100 100 - 100 - 2.1=100 HB3 LEU 108 - HB THR 18 lone 6 98 - 6 - ~10856=3 HB2 LEU 72 - HB THR 18 lone 4 98 - 4 - QD1 LEU 69 - HB THR 18 lone 4 94 - 4 - HG12 ILE 56 - HB THR 18 lone 2 100 - 2 - QD1 LEU 26 - HB THR 18 lone 2 85 - 2 - HG13 ILE 56 - HB THR 18 lone 1 72 - 2 - Peak 10854 from aliabs.peaks (1.18, 4.32, 60.91 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.96: QG2 THR 18 + HA THR 18 OK 96 96 - 100 - 3.2=100 QD1 LEU 69 - HA THR 18 lone 5 100 - 4 - HB2 LEU 72 - HA THR 18 lone 4 99 - 4 - HB3 LEU 108 - HA THR 18 lone 3 68 - 4 - ~10856=2 HG12 ILE 56 - HA THR 18 lone 1 89 - 2 - HG2 LYS 76 - HA THR 18 lone 1 77 - 1 - Peak 10855 from aliabs.peaks (4.44, 4.32, 60.91 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.98: HB THR 18 + HA THR 18 OK 98 98 - 100 - 3.0=100 HA ILE 58 - HA THR 18 lone 9 98 - 9 - 8365/11273=3...(3) HA ASN 84 - HA THR 18 lone 2 96 - 2 - 8365/11273=1 HA ASP 40 - HA THR 18 lone 1 62 - 1 - Peak 10856 from aliabs.peaks (3.72, 1.18, 21.56 ppm; 4.58 A): 0 out of 5 assignments used, low quality = 0.16: HA ILE 91 - QG2 THR 18 OK 16 92 - 17 - 8969=5, 3.0/8968=4...(5) HA LEU 108 - QG2 THR 18 poor 8 68 - 12 - ~10853=1, 10403/10864=1 HA THR 107 - QG2 THR 18 lone 7 89 - 8 - 3.0/10222=4 HB THR 74 - QG2 THR 18 lone 7 96 - 7 - ~8609=4 HA ILE 136 - QG2 THR 18 lone 2 72 - 3 - Peak 10857 from aliabs.peaks (4.84, 1.18, 21.56 ppm; 5.34 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10858 from aliabs.peaks (7.07, 1.18, 21.56 ppm; 6.33 A): 0 out of 2 assignments used, low quality = 0.39: QD TYR 70 - QG2 THR 18 OK 25 62 - 41 - 10859/3.2=26...(3) QE PHE 67 - QG2 THR 18 OK 18 89 - 20 - 10859/3.2=12, 5.6/9869=5 Peak 10859 from aliabs.peaks (7.07, 4.32, 60.91 ppm; 6.01 A): 0 out of 2 assignments used, low quality = 0.40: QD TYR 70 - HA THR 18 OK 31 62 - 49 - 10858/3.2=19...(6) QE PHE 67 - HA THR 18 OK 14 89 - 15 - 10858/3.2=14 Peak 10860 from aliabs.peaks (7.05, 4.86, 55.44 ppm; 4.14 A): 0 out of 1 assignment used, low quality = 0.27: QE PHE 67 - HA TRP 17 OK 27 98 - 28 - 6049/3.0=9, ~4691=6...(7) Peak 10861 from aliabs.peaks (4.36, 4.86, 55.44 ppm; 4.31 A): 0 out of 5 assignments used, low quality = 0.00: HA ASN 96 - HA TRP 17 lone 5 72 - 7 - ~9097=7 HB THR 51 - HA TRP 17 lone 1 99 - 2 - HA ASP 65 - HA TRP 17 lone 1 100 - 1 - HA ARG 144 - HA TRP 17 lone 1 98 - 1 - HA3 GLY 77 - HA TRP 17 lone 1 94 - 1 - Peak 10862 from aliabs.peaks (4.27, 4.86, 55.44 ppm; 4.97 A): 0 out of 7 assignments used, low quality = 0.00: HA ALA 135 - HA TRP 17 lone 4 96 - 4 - 4579/3.0=1 HB THR 99 - HA TRP 17 lone 3 100 - 3 - 3295/3.6=2 HA ARG 49 - HA TRP 17 lone 2 100 - 2 - HA2 GLY 50 - HA TRP 17 lone 1 68 - 2 - HA LEU 95 - HA TRP 17 lone 1 94 - 1 - HA SER 138 - HA TRP 17 lone 1 100 - 1 - HA3 GLY 78 - HA TRP 17 lone 1 77 - 1 - Peak 10863 from aliabs.peaks (1.84, 1.18, 21.56 ppm; 4.93 A): 0 out of 3 assignments used, low quality = 0.00: HB VAL 80 - QG2 THR 18 lone 5 68 - 8 - ~8761=4, ~8762=3 HB2 LYS 93 - QG2 THR 18 lone 2 100 - 2 - HB3 GLU 28 - QG2 THR 18 lone 1 62 - 1 - Peak 10864 from aliabs.peaks (2.01, 1.18, 21.56 ppm; 4.58 A): 0 out of 11 assignments used, low quality = 0.40: HB VAL 63 - QG2 THR 18 OK 32 98 - 33 - 2.1/9871=8, 4.4/11271=7...(7) QE MET 59 - QG2 THR 18 OK 11 100 - 11 - 10406=3, 10403/10856=2 QE MET 113 - QG2 THR 18 lone 8 98 - 8 - 10248/4710=2, 10662/1844=1 HB2 GLN 111 - QG2 THR 18 lone 5 62 - 8 - 3.0/10865=5 HB3 GLU 90 - QG2 THR 18 lone 5 98 - 5 - 3.0/10972=3 HB2 GLU 90 - QG2 THR 18 lone 5 92 - 5 - 3.0/10972=3 HG3 GLU 122 - QG2 THR 18 lone 3 99 - 3 - 1.8/9453=1 HG3 PRO 52 - QG2 THR 18 lone 2 89 - 3 - QE MET 11 - QG2 THR 18 lone 1 68 - 2 - HB3 ARG 124 - QG2 THR 18 lone 1 57 - 2 - HB3 GLU 37 - QG2 THR 18 lone 1 62 - 2 - Peak 10865 from aliabs.peaks (2.12, 1.18, 21.56 ppm; 4.57 A): 0 out of 5 assignments used, low quality = 0.24: HB VAL 73 - QG2 THR 18 OK 15 100 - 15 - ~8566=4, ~8574=4, 3.0/8584=2 HB2 GLU 75 - QG2 THR 18 OK 10 94 - 11 - 3.0/8634=3, 1.8/8636=3, 8629=1 HG2 GLN 111 - QG2 THR 18 lone 6 98 - 6 - 3.0/10864=2, 11483/1844=2 HB VAL 53 - QG2 THR 18 lone 2 94 - 3 - HG2 PRO 118 - QG2 THR 18 lone 2 62 - 3 - 3.8/11260=1 Peak 10866 from aliabs.peaks (4.52, 1.25, 25.30 ppm; 5.41 A): 4 out of 6 assignments used, quality = 0.99: HA HIS 14 + HG2 LYS 61 OK 82 100 - 82 - 9856/3.0=24, 9855/3.0=16...(33) HA ASP 13 + HG2 LYS 61 OK 79 89 - 88 - 9772/3.8=26, 8006/3.0=25...(14) HA HIS 14 + HG3 LYS 61 OK 66 81 - 82 - 9856/3.0=24, 9855/3.0=16...(33) HA ASP 13 + HG3 LYS 61 OK 58 66 - 89 - 9772/3.8=26, 8006/3.0=25...(14) HA TYR 115 - HG2 LYS 61 poor 9 68 - 13 - 9817/3.0=4, 9820/3.8=4...(4) HA TYR 115 - HG3 LYS 61 poor 6 47 - 13 - 9817/3.0=4, 9820/3.8=4...(4) Peak 10867 from aliabs.peaks (4.37, 0.95, 20.53 ppm; 4.36 A): 2 out of 5 assignments used, quality = 0.83: HA ASP 65 + QG2 VAL 63 OK 75 100 - 76 - 3.0/11453=22, 11306=20...(14) HB THR 51 + QG2 VAL 63 OK 30 98 - 30 - 9876/2.1=6, 11306=5...(9) HA ARG 144 - QG2 VAL 63 lone 8 99 - 8 - 11306=2, 9876/2.1=1 HA3 GLY 77 - QG2 VAL 63 lone 5 96 - 5 - 11306=1 HA ASN 96 - QG2 VAL 63 lone 5 77 - 6 - ~10935=2 Peak 10868 from aliabs.peaks (4.06, 4.05, 59.76 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: * HA LYS 24 + HA LYS 24 OK 95 95 - 100 Peak 10869 from aliabs.peaks (3.05, 4.05, 59.76 ppm; 5.49 A): 4 out of 5 assignments used, quality = 0.85: HE2 LYS 34 + HA LYS 24 OK 54 88 - 61 - 2.9/10872=14...(16) HE3 LYS 34 + HA LYS 24 OK 44 73 - 61 - 2.9/10872=14...(16) HB2 TYR 27 + HA LYS 24 OK 30 68 - 45 - 2.6/11340=13...(7) HB3 ASP 65 + HA LYS 24 OK 14 93 - 15 - 10901/4.0=6, 9887/3.0=3...(5) HB2 HIS 10 - HA LYS 24 lone 4 96 - 4 - 10901/4.0=1 Peak 10870 from aliabs.peaks (2.92, 4.05, 59.76 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.82: HE2 LYS 61 + HA LYS 24 OK 51 97 - 53 - 10892/4.0=15...(8) HE3 LYS 61 + HA LYS 24 OK 45 90 - 50 - 10891/4.0=14...(8) HB3 HIS 14 + HA LYS 24 OK 34 97 - 35 - ~11370=13, 10892/4.0=8...(6) Peak 10871 from aliabs.peaks (1.90, 4.05, 59.76 ppm; 3.87 A): 2 out of 10 assignments used, quality = 0.99: HB3 LYS 24 + HA LYS 24 OK 98 98 - 100 - 3.0=100 HB3 LYS 93 + HA LYS 24 OK 51 90 - 57 - 11328/3.0=7, 10881/3.0=7...(22) HB ILE 101 - HA LYS 24 OK 29 93 - 32 - 11328/3.0=5, 10881/3.0=5...(15) HB3 GLN 111 - HA LYS 24 OK 24 98 - 24 - 3.0/11316=6, 11328/3.0=3...(13) HB2 GLN 62 - HA LYS 24 OK 22 98 - 23 - 10876=4, ~11371=3...(9) HB3 LEU 69 - HA LYS 24 OK 12 90 - 14 - 11328/3.0=2, 10881/3.0=2 HB3 ARG 141 - HA LYS 24 OK 11 81 - 13 - 10881/3.0=2, 11328/3.0=2...(5) HB3 ARG 89 - HA LYS 24 lone 10 98 - 10 - 11328/3.0=1, 10881/3.0=1 HB3 ARG 140 - HA LYS 24 lone 8 93 - 8 - 10881/3.0=1, 11328/3.0=1 HB2 MET 59 - HA LYS 24 lone 3 63 - 5 - 1.8/11318=2 Peak 10872 from aliabs.peaks (1.80, 4.05, 59.76 ppm; 3.96 A): 3 out of 9 assignments used, quality = 0.91: HD3 LYS 34 + HA LYS 24 OK 67 97 - 69 - 2.9/11319=9, ~10880=8...(30) HD2 LYS 34 + HA LYS 24 OK 66 96 - 69 - 10880/3.0=10...(29) HB3 LEU 72 + HA LYS 24 OK 24 77 - 32 - 11323/3.0=5, ~10880=3...(16) HG2 PRO 57 - HA LYS 24 OK 20 98 - 20 - 10897/4.0=4, 10885/3.0=4...(7) HG LEU 72 - HA LYS 24 OK 19 63 - 31 - 10880/3.0=6, 10885/3.0=4...(16) HD3 LYS 86 - HA LYS 24 OK 19 97 - 19 - 10885/3.0=2, 3.0/11314=2...(6) HB2 ARG 124 - HA LYS 24 lone 5 63 - 7 - HB3 ARG 145 - HA LYS 24 lone 4 93 - 5 - HB3 ARG 55 - HA LYS 24 lone 4 59 - 6 - 4.0/11347=4 Peak 10873 from aliabs.peaks (1.64, 4.05, 59.76 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.93: HD2 LYS 24 + HA LYS 24 OK 74 88 - 84 - 5.3=55, 10914/4.0=20...(13) HG3 LYS 34 + HA LYS 24 OK 62 88 - 71 - 11324/3.0=11...(26) HB3 LEU 26 + HA LYS 24 OK 33 81 - 41 - 3.9/11347=11...(14) HB2 LYS 114 - HA LYS 24 OK 24 63 - 38 - 1.8/11320=18...(6) HB2 LEU 87 - HA LYS 24 OK 23 54 - 44 - 3.0/10875=8, 10882/3.0=7...(10) HB3 LEU 64 - HA LYS 24 OK 14 88 - 15 - 3.8/11348=3, 11337/4.0=2...(7) Peak 10874 from aliabs.peaks (1.44, 4.05, 59.76 ppm; 4.00 A): 4 out of 5 assignments used, quality = 0.94: HG2 LYS 24 + HA LYS 24 OK 87 88 - 99 - 4.0=98, 1.8/11311=19...(12) HG12 ILE 91 + HA LYS 24 OK 28 97 - 29 - 10883/3.0=7, 11331/3.0=6...(8) HG2 LYS 48 + HA LYS 24 OK 19 93 - 21 - 4.9/11366=7, 10883/3.0=5...(6) HD2 LYS 114 + HA LYS 24 OK 18 73 - 24 - 5.9/11366=7, 10887/3.0=4...(7) HB3 LYS 123 - HA LYS 24 lone 2 59 - 3 - Peak 10875 from aliabs.peaks (1.32, 4.05, 59.76 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.86: HG3 LYS 24 + HA LYS 24 OK 73 73 - 100 - 4.0=100 HG LEU 87 + HA LYS 24 OK 36 93 - 39 - 11326/3.0=10...(7) HG12 ILE 83 + HA LYS 24 OK 17 96 - 17 - 11332/3.0=4, 11326/3.0=3...(6) HG LEU 79 - HA LYS 24 poor 9 85 - 10 - 11326/3.0=4, 11334/4.0=2...(4) Peak 10876 from aliabs.peaks (4.04, 1.90, 32.61 ppm; 4.48 A): 2 out of 10 assignments used, quality = 0.96: * HA LYS 24 + HB3 LYS 24 OK 92 92 - 100 - 3.0=100 HD2 PRO 33 + HB3 LYS 24 OK 53 89 - 60 - 10877/1.8=12, ~10894=7...(25) HA LYS 24 - HB2 GLN 62 OK 26 90 - 29 - ~11371=4, 10871=4...(9) HA GLU 81 - HB3 LYS 24 OK 18 62 - 29 - 2.9/11342=17, ~11346=9 HA GLN 25 - HB3 LYS 24 OK 15 72 - 21 - 3.6/11353=10...(6) HD2 PRO 33 - HB2 GLN 62 lone 8 87 - 9 - 422/3.0=2, ~424=2, ~10525=1 HA LYS 123 - HB3 LYS 24 lone 6 68 - 9 - 10877/1.8=1 HA GLU 81 - HB2 GLN 62 lone 5 60 - 8 - ~6880=2, 2436/2.9=1, 2436/2.9=1 HA GLN 25 - HB2 GLN 62 lone 2 70 - 3 - HA LYS 123 - HB2 GLN 62 lone 2 65 - 3 - Peak 10877 from aliabs.peaks (4.04, 1.81, 32.61 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.96: * HA LYS 24 + HB2 LYS 24 OK 92 92 - 100 - 3.0=100 HD2 PRO 33 + HB2 LYS 24 OK 55 89 - 62 - 10876/1.8=9, ~10894=7...(25) HA GLU 81 - HB2 LYS 24 OK 16 62 - 25 - ~11342=12, ~11346=10...(4) HA GLN 25 - HB2 LYS 24 OK 10 72 - 14 - 4.8/11308=4, 10876/1.8=3...(4) HA LYS 123 - HB2 LYS 24 lone 5 68 - 7 - 10876/1.8=1, 3.0/10883=1 Peak 10878 from aliabs.peaks (2.94, 1.90, 32.61 ppm; 4.86 A): 2 out of 20 assignments used, quality = 0.91: HE3 LYS 93 + HB3 LYS 24 OK 83 99 - 84 - 10909/3.7=31...(29) HE2 LYS 93 + HB3 LYS 24 OK 50 68 - 74 - 3.8/10887=15, ~11335=10...(29) HB3 ASN 130 - HB2 GLN 62 OK 20 99 - 20 - ~11399=9, ~10931=3...(5) HE3 LYS 48 - HB3 LYS 24 OK 19 81 - 23 - 10909/3.7=3, 11315/3.0=2...(6) HE3 LYS 85 - HB3 LYS 24 OK 18 92 - 20 - 10909/3.7=4, 11335/3.0=2...(5) HB3 HIS 14 - HB3 LYS 24 OK 17 68 - 25 - 10909/3.7=5, ~11333=4...(9) HE2 LYS 48 - HB3 LYS 24 OK 12 62 - 20 - 3.6/10886=2, ~11315=2...(4) HE2 LYS 85 - HB3 LYS 24 OK 11 72 - 15 - ~11335=1, 1.8/11327=1, ~11315=1 HE3 LYS 93 - HB2 GLN 62 lone 7 98 - 7 - 3.8/10887=1 HB3 ASN 130 - HB3 LYS 24 lone 6 100 - 6 - 10909/3.7=1, 11335/3.0=1 HB2 TYR 115 - HB3 LYS 24 lone 5 62 - 7 - ~10216=2, ~10213=1, 10215/3.0=1 HB2 TYR 119 - HB2 GLN 62 lone 4 99 - 4 - 4.4/9436=2 HB2 TYR 119 - HB3 LYS 24 lone 3 100 - 3 - HE2 LYS 93 - HB2 GLN 62 lone 3 65 - 5 - 3.8/10887=1 HE3 LYS 85 - HB2 GLN 62 lone 3 90 - 3 - HE2 LYS 85 - HB2 GLN 62 lone 2 70 - 3 - HB2 TYR 115 - HB2 GLN 62 lone 2 60 - 3 - HE3 LYS 48 - HB2 GLN 62 lone 2 79 - 2 - HB3 HIS 14 - HB2 GLN 62 lone 1 65 - 2 - HE2 LYS 48 - HB2 GLN 62 lone 1 60 - 2 - Peak 10879 from aliabs.peaks (2.92, 1.81, 32.61 ppm; 4.83 A): 3 out of 3 assignments used, quality = 0.97: HE2 LYS 61 + HB2 LYS 24 OK 79 100 - 79 - 10891/3.0=18...(17) HE3 LYS 61 + HB2 LYS 24 OK 75 96 - 78 - 10891/3.0=17...(17) HB3 HIS 14 + HB2 LYS 24 OK 46 99 - 46 - 1.8/11370=15...(9) Peak 10880 from aliabs.peaks (1.79, 1.81, 32.61 ppm; 2.54 A): 4 out of 9 assignments used, quality = 0.69: HD2 LYS 34 + HB2 LYS 24 OK 38 96 - 39 - 10885/1.8=6, 10897/3.0=4...(15) HD3 LYS 34 + HB2 LYS 24 OK 27 72 - 38 - 10885/1.8=5, 2.9/11324=4...(13) HG LEU 72 + HB2 LYS 24 OK 22 99 - 22 - 2.1/9910=3, 11318/3.0=3...(9) HG2 PRO 57 + HB2 LYS 24 OK 12 77 - 16 - 11318/3.0=3, ~10902=3...(5) HD3 LYS 86 - HB2 LYS 24 lone 5 72 - 7 - 10885/1.8=1 HB3 ARG 145 - HB2 LYS 24 lone 3 99 - 3 - HB3 ARG 55 - HB2 LYS 24 lone 2 98 - 2 - HB3 MET 59 - HB2 LYS 24 lone 2 85 - 2 - HG LEU 39 - HB2 LYS 24 lone 1 62 - 2 - Peak 10881 from aliabs.peaks (1.90, 1.81, 32.61 ppm; 3.29 A): 3 out of 9 assignments used, quality = 1.00: HB3 LYS 24 + HB2 LYS 24 OK 100 100 - 100 - 1.8=100 HB3 LYS 93 + HB2 LYS 24 OK 67 98 - 69 - 11328/1.8=8, 10903/3.0=7...(33) HB ILE 101 + HB2 LYS 24 OK 45 92 - 50 - 3.9/11349=7, 11328/1.8=5...(21) HB2 GLN 62 - HB2 LYS 24 OK 26 100 - 27 - 4.0/11350=7, 3.0/11371=4...(10) HB3 GLN 111 - HB2 LYS 24 OK 24 100 - 24 - 2.9/11371=3, 11328/1.8=3...(13) HB3 ARG 141 - HB2 LYS 24 OK 16 92 - 17 - 1.8/11323=2, 11328/1.8=2...(7) HB3 LEU 69 - HB2 LYS 24 OK 14 89 - 16 - 11328/1.8=2, 3.0/2009=1...(5) HB3 ARG 89 - HB2 LYS 24 OK 13 99 - 13 - 11328/1.8=2, 1.8/2861=1 HB3 ARG 140 - HB2 LYS 24 OK 12 99 - 11 - 11328/1.8=1 Peak 10882 from aliabs.peaks (1.63, 1.81, 32.61 ppm; 3.58 A): 3 out of 7 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 97 100 - 97 - 3.7=92, 10914/3.0=23...(12) HG3 LYS 34 + HB2 LYS 24 OK 67 100 - 67 - 2.9/10880=13, 11324=12...(22) HB2 LEU 87 + HB2 LYS 24 OK 50 89 - 56 - 11337/3.0=8, 10905/3.0=7...(23) HG3 LYS 48 - HB2 LYS 24 OK 14 62 - 23 - ~11320=5, 1.8/10883=5...(7) HB3 LEU 64 - HB2 LYS 24 OK 12 100 - 12 - 11337/3.0=2, 10905/3.0=2...(5) HG3 ARG 49 - HB2 LYS 24 lone 2 62 - 4 - HG3 ARG 144 - HB2 LYS 24 lone 2 72 - 3 - Peak 10883 from aliabs.peaks (1.44, 1.81, 32.61 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.98: HG2 LYS 24 + HB2 LYS 24 OK 96 96 - 100 - 3.0=100 HG12 ILE 91 + HB2 LYS 24 OK 46 100 - 46 - 11331/1.8=7, 11325=6...(17) HG2 LYS 48 - HB2 LYS 24 OK 30 99 - 31 - 11320/3.0=10...(8) HD2 LYS 114 - HB2 LYS 24 OK 21 68 - 31 - 10887/1.8=4, 10874/3.0=3...(13) HB3 LYS 123 - HB2 LYS 24 lone 5 72 - 7 - 11320/3.0=1 Peak 10884 from aliabs.peaks (1.29, 1.81, 32.61 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.72: HG3 LYS 24 + HB2 LYS 24 OK 62 62 - 100 - 3.0=100 QB ALA 104 + HB2 LYS 24 OK 26 99 - 27 - 9199=4, 10193/11349=4...(10) Peak 10885 from aliabs.peaks (1.79, 1.90, 32.61 ppm; 3.24 A): 5 out of 16 assignments used, quality = 0.93: HD2 LYS 34 + HB3 LYS 24 OK 64 100 - 64 - 10880/1.8=15...(27) HD3 LYS 34 + HB3 LYS 24 OK 55 89 - 63 - 10880/1.8=10, ~10880=9...(28) HG LEU 72 + HB3 LYS 24 OK 30 92 - 33 - 10880/1.8=8, 11318/3.0=4...(11) HG2 PRO 57 + HB3 LYS 24 OK 25 92 - 27 - ~10902=5, 11318/3.0=5...(7) HD3 LYS 86 + HB3 LYS 24 OK 15 89 - 17 - 10880/1.8=2, 1.8/2732=2...(8) HB3 ARG 145 - HB3 LYS 24 lone 6 100 - 6 - 10880/1.8=1 HB3 ARG 55 - HB3 LYS 24 lone 6 89 - 6 - 4.0/11353=3, 11318/3.0=2 HB3 MET 59 - HB2 GLN 62 lone 5 65 - 8 - 3.9/6543=1 HD2 LYS 34 - HB2 GLN 62 lone 4 99 - 4 - HD3 LYS 34 - HB2 GLN 62 lone 3 87 - 3 - HB3 MET 59 - HB3 LYS 24 lone 2 68 - 4 - HG2 PRO 57 - HB2 GLN 62 lone 2 90 - 2 - HD3 LYS 86 - HB2 GLN 62 lone 2 87 - 2 - HG LEU 72 - HB2 GLN 62 lone 1 90 - 1 - HB3 ARG 55 - HB2 GLN 62 lone 1 87 - 1 - HB3 ARG 145 - HB2 GLN 62 lone 1 99 - 1 - Peak 10886 from aliabs.peaks (1.63, 1.90, 32.61 ppm; 3.84 A): 3 out of 14 assignments used, quality = 1.00: HD2 LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 3.7=100 HG3 LYS 34 + HB3 LYS 24 OK 72 100 - 72 - 10882/1.8=11, 11330=10...(25) HB2 LEU 87 + HB3 LYS 24 OK 55 89 - 62 - 11337/3.0=8, 10882/1.8=8...(22) HB2 LEU 87 - HB2 GLN 62 OK 20 87 - 23 - 8368/1.8=3, 3.0/10888=2...(9) HG3 LYS 48 - HB3 LYS 24 OK 17 62 - 27 - ~11320=6, ~10883=4...(8) HB3 LEU 64 - HB3 LYS 24 OK 15 100 - 15 - 3.8/11354=2, 10882/1.8=2...(6) HD2 LYS 24 - HB2 GLN 62 OK 14 99 - 14 - 3.0/10888=3, 3.7/10881=2...(6) HB3 LEU 64 - HB2 GLN 62 OK 13 99 - 13 - ~8343=4, 8368/1.8=3...(4) HG3 LYS 34 - HB2 GLN 62 lone 7 99 - 7 - ~10519=1 HG3 ARG 49 - HB2 GLN 62 lone 4 60 - 6 - HG3 ARG 49 - HB3 LYS 24 lone 3 62 - 5 - HG3 ARG 144 - HB3 LYS 24 lone 2 72 - 3 - HG3 LYS 48 - HB2 GLN 62 lone 1 60 - 1 - HG3 ARG 144 - HB2 GLN 62 lone 1 70 - 1 - Peak 10887 from aliabs.peaks (1.42, 1.90, 32.61 ppm; 4.37 A): 3 out of 6 assignments used, quality = 0.90: HG3 LYS 93 + HB3 LYS 24 OK 77 85 - 90 - 10913/3.7=22...(36) HD2 LYS 114 + HB3 LYS 24 OK 41 100 - 41 - 10906/3.0=9, 10913/3.7=6...(16) HG12 ILE 91 + HB3 LYS 24 OK 29 62 - 46 - 2.1/8981=7, 11331=6...(17) HD2 LYS 114 - HB2 GLN 62 lone 7 99 - 7 - 9339/3.0=2, 9339/1757=1 HG3 LYS 93 - HB2 GLN 62 lone 6 83 - 7 - HG12 ILE 91 - HB2 GLN 62 lone 3 60 - 4 - ~8986=1 Peak 10888 from aliabs.peaks (1.30, 1.90, 32.61 ppm; 4.38 A): 2 out of 8 assignments used, quality = 1.00: HG3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 3.0=100 HG LEU 87 + HB3 LYS 24 OK 63 89 - 71 - 11332=15, 10907/3.0=11...(23) HG3 LYS 24 - HB2 GLN 62 OK 37 98 - 38 - 9819/4.0=8, 10896=4...(12) HG LEU 79 - HB3 LYS 24 OK 27 96 - 28 - 11332=5, 10907/3.0=4...(12) HG LEU 87 - HB2 GLN 62 OK 25 87 - 28 - 9819/4.0=3, ~2810=3...(14) QB ALA 104 - HB3 LYS 24 OK 19 92 - 21 - 10884/1.8=6, 9201/3.7=2...(7) HG LEU 79 - HB2 GLN 62 OK 14 95 - 14 - ~8345=5, ~8734=2...(5) QB ALA 104 - HB2 GLN 62 lone 3 90 - 4 - Peak 10889 from aliabs.peaks (4.06, 1.30, 24.16 ppm; 3.81 A): 4 out of 7 assignments used, quality = 0.95: * HA LYS 24 + HG3 LYS 24 OK 78 85 - 91 - 4.0=84, 10890/1.8=13...(7) HA LEU 26 + HG3 LYS 24 OK 41 100 - 41 - 10890/1.8=8, 10908/3.0=7...(12) HD2 PRO 33 + HG3 LYS 24 OK 38 89 - 42 - 3.0/10894=9, 10890/1.8=7...(9) HA LYS 34 + HG3 LYS 24 OK 34 77 - 44 - 4.7/10897=6, 10890/1.8=6...(19) HA GLN 25 - HG3 LYS 24 OK 10 98 - 10 - 8053/10862=3...(3) HA GLU 90 - HG3 LYS 24 lone 6 62 - 9 - 10890/1.8=1, 3033/11336=1 HA LEU 132 - HG3 LYS 24 lone 4 62 - 7 - 3.8/10979=2, ~11350=1 Peak 10890 from aliabs.peaks (4.06, 1.44, 24.16 ppm; 3.71 A): 5 out of 7 assignments used, quality = 0.95: * HA LYS 24 + HG2 LYS 24 OK 75 85 - 87 - 4.0=78, 11311/1.8=15...(8) HA LEU 26 + HG2 LYS 24 OK 43 100 - 43 - 10889/1.8=7, 10908/3.0=7...(13) HD2 PRO 33 + HG2 LYS 24 OK 41 89 - 47 - 11310=8, 11311/1.8=7...(11) HA LYS 34 + HG2 LYS 24 OK 32 77 - 42 - 10889/1.8=6, 11310=5...(19) HA GLN 25 + HG2 LYS 24 OK 13 98 - 13 - 8053/10893=4...(4) HA GLU 90 - HG2 LYS 24 poor 7 62 - 12 - 2915/3027=2, 5.0/2949=2 HA LEU 132 - HG2 LYS 24 lone 3 62 - 5 - ~11350=1 Peak 10891 from aliabs.peaks (2.92, 1.30, 24.16 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.82: HE2 LYS 61 + HG3 LYS 24 OK 52 100 - 52 - 10892/1.8=15...(13) HE3 LYS 61 + HG3 LYS 24 OK 49 96 - 51 - 10892/1.8=13, ~10892=10...(13) HB3 HIS 14 + HG3 LYS 24 OK 26 99 - 26 - 10892/1.8=8, ~11370=6...(7) Peak 10892 from aliabs.peaks (2.92, 1.44, 24.16 ppm; 3.40 A): 3 out of 4 assignments used, quality = 0.82: HE2 LYS 61 + HG2 LYS 24 OK 53 98 - 54 - 10891/1.8=14, ~10891=8...(12) HE3 LYS 61 + HG2 LYS 24 OK 46 89 - 52 - 10891/1.8=13, ~10891=9...(12) HB3 HIS 14 + HG2 LYS 24 OK 28 100 - 28 - 10891/1.8=7, ~11370=5...(8) HB3 ASN 130 - HG2 LYS 24 lone 3 62 - 4 - Peak 10893 from aliabs.peaks (2.46, 1.44, 24.16 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.62: HG3 GLU 28 + HG2 LYS 24 OK 62 100 - 63 - 10862/1.8=28, 8054=18...(7) HG3 GLU 131 - HG2 LYS 24 lone 9 100 - 9 - 11372/1.8=4, ~11372=2, ~11373=1 HB3 GLU 131 - HG2 LYS 24 lone 6 72 - 9 - 11372/1.8=3, ~11372=2, ~11373=2 Peak 10894 from aliabs.peaks (2.44, 1.30, 24.16 ppm; 5.27 A): 4 out of 6 assignments used, quality = 0.80: HB3 PRO 33 + HG3 LYS 24 OK 62 96 - 65 - 3.0/11311=9, 2.3/11373=8...(20) HG3 GLU 28 + HG3 LYS 24 OK 25 62 - 40 - 10862=16, 8054/1.8=10...(6) HG2 MET 68 + HG3 LYS 24 OK 15 89 - 17 - ~1989=2, ~1986=2...(6) HG2 MET 11 + HG3 LYS 24 OK 15 100 - 15 - ~10599=4, ~37=2, ~43=2...(6) HG3 GLN 47 - HG3 LYS 24 lone 2 62 - 4 - HG2 GLN 47 - HG3 LYS 24 lone 2 62 - 4 - Peak 10895 from aliabs.peaks (2.21, 1.30, 24.16 ppm; 4.49 A): 0 out of 4 assignments used, low quality = 0.28: HB3 PRO 57 - HG3 LYS 24 OK 28 68 - 42 - 10902/1.8=21...(12) HG2 GLU 75 - HG3 LYS 24 lone 10 100 - 10 - 10902/1.8=8 HB2 MET 113 - HG3 LYS 24 poor 9 68 - 13 - 4.7/11344=7, 10902/1.8=5 HB2 MET 46 - HG3 LYS 24 lone 7 77 - 9 - 10902/1.8=6 Peak 10896 from aliabs.peaks (1.90, 1.30, 24.16 ppm; 3.64 A): 2 out of 9 assignments used, quality = 1.00: HB3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 - 3.0=100 HB3 LYS 93 + HG3 LYS 24 OK 79 98 - 81 - ~10906=11, 10903/1.8=11...(36) HB ILE 101 - HG3 LYS 24 OK 41 92 - 45 - 3.2/10129=9, 2.1/10133=7...(21) HB2 GLN 62 - HG3 LYS 24 OK 28 100 - 28 - 4.0/9819=5, 10888=4...(12) HB3 GLN 111 - HG3 LYS 24 OK 21 100 - 21 - 10903/1.8=2, 11328/3.0=2...(11) HB3 ARG 141 - HG3 LYS 24 OK 14 92 - 15 - 10903/1.8=2, 10881/3.0=2 HB3 LEU 69 - HG3 LYS 24 OK 12 89 - 13 - 11328/3.0=1, 10881/3.0=1 HB3 ARG 89 - HG3 LYS 24 OK 10 99 - 10 - 10903/1.8=1, 11328/3.0=1 HB3 ARG 140 - HG3 LYS 24 lone 9 99 - 9 - 10903/1.8=1, 10881/3.0=1 Peak 10897 from aliabs.peaks (1.79, 1.30, 24.16 ppm; 3.51 A): 5 out of 8 assignments used, quality = 0.92: HD2 LYS 34 + HG3 LYS 24 OK 63 100 - 63 - 10880/3.0=12...(27) HD3 LYS 34 + HG3 LYS 24 OK 54 89 - 60 - 10880/3.0=9, 10885/3.0=7...(27) HG2 PRO 57 + HG3 LYS 24 OK 30 92 - 33 - 2.3/10895=11, ~10902=8...(7) HG LEU 72 + HG3 LYS 24 OK 26 92 - 28 - 10880/3.0=7, 10885/3.0=4...(11) HD3 LYS 86 + HG3 LYS 24 OK 11 89 - 13 - 10885/3.0=2, 10880/3.0=2...(4) HB3 ARG 145 - HG3 LYS 24 lone 4 100 - 4 - HB3 ARG 55 - HG3 LYS 24 lone 3 89 - 4 - 11318/4.0=1 HB3 MET 59 - HG3 LYS 24 lone 3 68 - 4 - 4.2/10566=1 Peak 10898 from aliabs.peaks (1.62, 1.30, 24.16 ppm; 2.95 A): 2 out of 9 assignments used, quality = 0.97: HD2 LYS 24 + HG3 LYS 24 OK 94 94 - 100 - 3.0=100 HB2 LEU 87 + HG3 LYS 24 OK 50 100 - 51 - 1.8/2789=6, 10905/1.8=6...(23) HG3 LYS 34 - HG3 LYS 24 OK 41 94 - 43 - 2.9/10897=6, 10905/1.8=6...(15) HG3 LYS 48 - HG3 LYS 24 OK 17 94 - 18 - 1.8/10899=4, 1187/1.8=3...(4) HB3 LEU 64 - HG3 LYS 24 poor 10 94 - 10 - 10905/1.8=1 HG3 ARG 49 - HG3 LYS 24 lone 6 94 - 6 - 5.0/11344=2 HG2 ARG 141 - HG3 LYS 24 lone 5 62 - 8 - HG3 ARG 144 - HG3 LYS 24 lone 2 98 - 2 - HG LEU 108 - HG3 LYS 24 lone 1 68 - 1 - Peak 10899 from aliabs.peaks (1.44, 1.30, 24.16 ppm; 2.77 A): 1 out of 5 assignments used, quality = 0.96: HG2 LYS 24 + HG3 LYS 24 OK 96 96 - 100 - 1.8=100 HG12 ILE 91 - HG3 LYS 24 OK 20 100 - 20 - 10883/3.0=3, 11331/3.0=3...(9) HG2 LYS 48 - HG3 LYS 24 OK 18 99 - 18 - 11320/4.0=4, 1.8/10898=2...(5) HD2 LYS 114 - HG3 LYS 24 OK 11 68 - 16 - 3790/1.8=2, ~3804=2...(9) HB3 LYS 123 - HG3 LYS 24 lone 3 72 - 4 - Peak 10900 from aliabs.peaks (1.30, 1.30, 24.16 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HG3 LYS 24 + HG3 LYS 24 OK 92 92 - 100 Peak 10901 from aliabs.peaks (3.04, 1.44, 24.16 ppm; 4.85 A): 0 out of 4 assignments used, low quality = 0.24: HE2 LYS 36 - HG2 LYS 24 OK 24 62 - 39 - 3.0/720=7, 3.9/10906=7...(14) HB3 ASP 65 - HG2 LYS 24 lone 8 100 - 8 - 9887/3.0=2, 10869/4.0=2...(4) HB2 PHE 67 - HG2 LYS 24 lone 3 72 - 4 - 4.4/8440=1 HB2 HIS 10 - HG2 LYS 24 lone 2 99 - 2 - Peak 10902 from aliabs.peaks (2.21, 1.44, 24.16 ppm; 4.43 A): 0 out of 4 assignments used, low quality = 0.26: HB3 PRO 57 - HG2 LYS 24 OK 26 68 - 39 - 10895/1.8=20, ~10897=5...(11) HG2 GLU 75 - HG2 LYS 24 lone 10 100 - 10 - 10895/1.8=7 HB2 MET 46 - HG2 LYS 24 lone 7 77 - 9 - 10895/1.8=5, 4.2/10698=2 HB2 MET 113 - HG2 LYS 24 lone 6 68 - 8 - 10895/1.8=6 Peak 10903 from aliabs.peaks (1.89, 1.44, 24.16 ppm; 3.21 A): 2 out of 9 assignments used, quality = 1.00: HB3 LYS 24 + HG2 LYS 24 OK 98 98 - 100 - 3.0=100 HB3 LYS 93 + HG2 LYS 24 OK 77 100 - 78 - 2.9/10906=17, 3039=12...(34) HB ILE 101 - HG2 LYS 24 OK 33 81 - 41 - ~10177=5, ~10133=5...(17) HB3 GLN 111 - HG2 LYS 24 OK 17 98 - 18 - 11336/1.8=2, 10881/3.0=2...(6) HB2 GLN 62 - HG2 LYS 24 OK 16 99 - 16 - 10896/1.8=2, 10881/3.0=2...(8) HB3 ARG 141 - HG2 LYS 24 OK 15 98 - 15 - 11336/1.8=1, 1.8/10904=1...(4) HB3 ARG 89 - HG2 LYS 24 lone 9 94 - 10 - 11336/1.8=1, 11328/3.0=1 HB3 ARG 140 - HG2 LYS 24 lone 9 100 - 8 - HB3 LEU 69 - HG2 LYS 24 poor 8 77 - 11 - 11336/1.8=1, 11328/3.0=1 Peak 10904 from aliabs.peaks (1.81, 1.44, 24.16 ppm; 3.28 A): 2 out of 10 assignments used, quality = 0.98: HB2 LYS 24 + HG2 LYS 24 OK 96 96 - 100 - 3.0=100 HD3 LYS 34 + HG2 LYS 24 OK 46 89 - 52 - ~10897=6, 2.9/10905=6...(25) HD3 LYS 36 - HG2 LYS 24 OK 29 77 - 37 - 3.0/10901=9, 2.9/10906=5...(14) HB3 LEU 72 - HG2 LYS 24 OK 23 100 - 24 - 11323/3.0=4, 2129/3.0=2...(7) HG2 PRO 57 - HG2 LYS 24 OK 21 85 - 25 - 2.3/10902=10, ~10895=7...(4) HB2 ARG 141 - HG2 LYS 24 poor 9 68 - 13 - 1.8/10903=2, 11323/3.0=1 HD3 LYS 86 - HG2 LYS 24 lone 8 89 - 9 - 11323/3.0=1 HB2 MET 11 - HG2 LYS 24 lone 7 94 - 8 - 11323/3.0=1, 4.2/10599=1 HB3 MET 68 - HG2 LYS 24 lone 6 72 - 8 - ~10894=1 HB2 ARG 124 - HG2 LYS 24 lone 6 100 - 6 - 11323/3.0=1 Peak 10905 from aliabs.peaks (1.63, 1.44, 24.16 ppm; 2.77 A): 2 out of 7 assignments used, quality = 0.95: HD2 LYS 24 + HG2 LYS 24 OK 92 100 - 92 - 3.0=82, 10914/1.8=22...(14) HB2 LEU 87 + HG2 LYS 24 OK 39 89 - 44 - 11337/1.8=7, 3.0/10907=5...(22) HG3 LYS 34 - HG2 LYS 24 OK 35 100 - 35 - 11337/1.8=5, 11324/3.0=4...(13) HG3 LYS 48 - HG2 LYS 24 poor 10 62 - 15 - 1187=2, ~10899=2...(4) HB3 LEU 64 - HG2 LYS 24 lone 9 100 - 9 - 11337/1.8=2 HG3 ARG 49 - HG2 LYS 24 lone 2 62 - 3 - HG3 ARG 144 - HG2 LYS 24 lone 1 72 - 2 - Peak 10906 from aliabs.peaks (1.42, 1.44, 24.16 ppm; 2.50 A): 3 out of 5 assignments used, quality = 0.68: HG3 LYS 93 + HG2 LYS 24 OK 52 100 - 53 - 10913/3.0=12...(18) HD2 LYS 114 + HG2 LYS 24 OK 21 94 - 22 - 3790=4, 10913/3.0=3...(10) HG2 LYS 36 + HG2 LYS 24 OK 14 62 - 23 - 3.9/10901=4, 1.8/698=2...(11) HB2 ARG 35 - HG2 LYS 24 lone 5 77 - 7 - 4.3/6205=1 HG LEU 116 - HG2 LYS 24 lone 4 68 - 6 - Peak 10907 from aliabs.peaks (1.30, 1.44, 24.16 ppm; 2.78 A): 1 out of 4 assignments used, quality = 0.99: HG3 LYS 24 + HG2 LYS 24 OK 99 99 - 100 - 1.8=100 HG LEU 87 - HG2 LYS 24 OK 39 85 - 46 - 11334=6, 2.1/10771=5...(20) HG LEU 79 - HG2 LYS 24 OK 15 94 - 15 - 11334=3, 10914/3.0=2...(6) QB ALA 104 - HG2 LYS 24 lone 7 94 - 8 - 10884/3.0=2, 9199/3.0=1 Peak 10908 from aliabs.peaks (4.06, 1.63, 29.04 ppm; 3.45 A): 5 out of 7 assignments used, quality = 0.87: * HA LYS 24 + HD2 LYS 24 OK 55 85 - 64 - 5.3=28, 4.0/10914=15...(9) HA LEU 26 + HD2 LYS 24 OK 37 100 - 37 - 2.9/11359=6, 10890/3.0=5...(12) HD2 PRO 33 + HD2 LYS 24 OK 29 89 - 33 - 11311/3.0=5, 10890/3.0=5...(11) HA LYS 34 + HD2 LYS 24 OK 28 77 - 36 - 487=6, 3.0/498=5...(12) HA GLN 25 + HD2 LYS 24 OK 13 98 - 13 - 3.6/11359=6...(5) HA GLU 90 - HD2 LYS 24 lone 5 62 - 7 - HA LEU 132 - HD2 LYS 24 lone 2 62 - 3 - Peak 10909 from aliabs.peaks (2.93, 1.63, 29.04 ppm; 2.50 A): 0 out of 6 assignments used, low quality = 0.33: HE3 LYS 93 - HD2 LYS 24 OK 33 92 - 36 - 3.0/10911=14...(7) HB3 HIS 14 - HD2 LYS 24 lone 5 85 - 6 - 10892/3.0=2, 10891/3.0=1 HE3 LYS 85 - HD2 LYS 24 lone 4 77 - 5 - HE3 LYS 48 - HD2 LYS 24 lone 3 62 - 5 - HB3 ASN 130 - HD2 LYS 24 lone 1 99 - 1 - HB2 TYR 119 - HD2 LYS 24 lone 0 98 - 0 - Peak 10910 from aliabs.peaks (1.90, 1.63, 29.04 ppm; 2.82 A): 3 out of 11 assignments used, quality = 0.85: HB3 LYS 24 + HD2 LYS 24 OK 70 98 - 71 - 3.7=44, 3.0/10914=15...(12) HB3 LYS 93 + HD2 LYS 24 OK 41 77 - 53 - 2.9/10913=15...(15) HB ILE 101 + HD2 LYS 24 OK 19 100 - 20 - 11336/3.0=3, 11328/3.7=2...(9) HB2 GLN 62 - HD2 LYS 24 lone 6 96 - 6 - 10888/3.0=1, 10881/3.7=1 HB3 GLN 111 - HD2 LYS 24 lone 6 98 - 6 - 11336/3.0=1, 11328/3.7=1 HB3 ARG 89 - HD2 LYS 24 lone 4 100 - 4 - HB3 LEU 69 - HD2 LYS 24 lone 4 100 - 4 - HB3 ARG 141 - HD2 LYS 24 lone 3 62 - 5 - HB3 ARG 140 - HD2 LYS 24 lone 3 81 - 3 - QE MET 68 - HD2 LYS 24 lone 3 77 - 3 - HB2 MET 59 - HD2 LYS 24 lone 1 89 - 2 - Peak 10911 from aliabs.peaks (1.70, 1.63, 29.04 ppm; 2.50 A): 0 out of 5 assignments used, low quality = 0.43: HD2 LYS 93 - HD2 LYS 24 OK 43 100 - 43 - 3.0/10909=13...(11) HG LEU 26 - HD2 LYS 24 poor 7 62 - 11 - 5.3/11359=2, 4.3/10908=2...(6) HD2 LYS 86 - HD2 LYS 24 lone 4 99 - 4 - HB2 LYS 85 - HD2 LYS 24 lone 2 68 - 4 - 3062/10913=1 HB3 LEU 95 - HD2 LYS 24 lone 2 100 - 2 - 3062/10913=1 Peak 10912 from aliabs.peaks (1.61, 1.63, 29.04 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HD2 LYS 24 + HD2 LYS 24 OK 68 68 - 100 Peak 10913 from aliabs.peaks (1.42, 1.63, 29.04 ppm; 2.65 A): 2 out of 5 assignments used, quality = 0.60: HG3 LYS 93 + HD2 LYS 24 OK 53 100 - 54 - 3.0/10911=16...(14) HD2 LYS 114 + HD2 LYS 24 OK 15 94 - 16 - 10906/3.0=5, 5.9/11345=2...(4) HG2 LYS 36 - HD2 LYS 24 poor 8 62 - 13 - 10906/3.0=3, 11339/3.0=1...(4) HB2 ARG 35 - HD2 LYS 24 lone 4 77 - 6 - 3.6/6179=1, 10906/3.0=1 HG LEU 116 - HD2 LYS 24 lone 3 68 - 5 - Peak 10914 from aliabs.peaks (1.30, 1.63, 29.04 ppm; 2.71 A): 3 out of 4 assignments used, quality = 0.92: HG3 LYS 24 + HD2 LYS 24 OK 88 100 - 88 - 3.0=77, 1.8/11364=16...(11) HG LEU 87 + HD2 LYS 24 OK 31 94 - 33 - 10907/3.0=5, 11332/3.7=3...(16) HG LEU 79 + HD2 LYS 24 OK 10 99 - 10 - 10907/3.0=2, 11326/3.7=1 QB ALA 104 - HD2 LYS 24 lone 6 85 - 7 - 10884/3.7=1 Peak 10915 from aliabs.peaks (4.00, 2.97, 38.91 ppm; 3.76 A): 0 out of 9 assignments used, low quality = 0.00: HA LYS 114 - HB3 TYR 27 lone 7 100 - 7 - 10198/2.6=3, ~10202=2, ~10200=1 HA LEU 69 - HB3 TYR 27 lone 4 96 - 5 - 4.9/10823=2 HB3 SER 127 - HB3 TYR 27 lone 3 96 - 3 - HA MET 113 - HB3 TYR 27 lone 2 99 - 2 - HB2 SER 103 - HB3 TYR 27 lone 1 85 - 2 - HA GLU 122 - HB3 TYR 27 lone 1 85 - 1 - HB3 SER 138 - HB3 TYR 27 lone 1 99 - 1 - HB2 SER 138 - HB3 TYR 27 lone 1 98 - 1 - HB3 SER 100 - HB3 TYR 27 lone 1 85 - 1 - Peak 10916 from aliabs.peaks (1.22, 0.65, 25.42 ppm; 3.28 A): 2 out of 3 assignments used, quality = 0.59: HG13 ILE 56 + QD2 LEU 64 OK 36 62 - 58 - 11375=12, 1.8/11375=12...(19) QG2 THR 107 + QD2 LEU 64 OK 35 100 - 35 - ~10164=7, ~9242=4...(11) HD3 LYS 123 - QD2 LEU 64 lone 8 81 - 9 - 11375=2, 3.0/8374=1...(4) Peak 10917 from aliabs.peaks (0.65, 1.18, 23.77 ppm; 3.38 A): 4 out of 4 assignments used, quality = 0.85: QD1 LEU 126 + QD1 LEU 69 OK 54 100 - 54 - 11377/3.2=8, 4301/2.1=7...(20) QD2 LEU 79 + QD1 LEU 69 OK 38 81 - 47 - 8478/2.1=14, 8472/2.1=5...(15) QD2 LEU 64 + QD1 LEU 69 OK 38 96 - 39 - 10624/2.1=12...(9) QD1 ILE 56 + QD1 LEU 69 OK 19 100 - 18 - 1482=2, 4.2/9932=2...(4) Peak 10918 from aliabs.peaks (0.64, 1.90, 41.39 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.93: QD2 LEU 79 + HB3 LEU 69 OK 78 100 - 78 - 8478/3.2=20, 8472/3.0=15...(18) QD1 LEU 126 + HB3 LEU 69 OK 62 77 - 81 - 11376/3.2=22...(19) QD1 ILE 56 + HB3 LEU 69 OK 20 72 - 28 - 10917/3.2=3, 10919/3.0=3...(13) Peak 10919 from aliabs.peaks (0.64, 4.01, 58.18 ppm; 6.03 A): 2 out of 8 assignments used, quality = 0.97: QD2 LEU 79 + HA LEU 69 OK 88 100 - 88 - ~9930=21, 8478/3.9=21...(23) QD1 LEU 126 + HA LEU 69 OK 73 89 - 82 - 11376/4.1=25...(13) QD1 ILE 56 - HA LEU 69 OK 31 85 - 36 - 1479/4.9=9, 10918/3.0=5...(8) QD2 LEU 64 - HA LEU 69 OK 28 62 - 45 - 8478/3.9=15, 10917/4.1=9...(6) QD2 LEU 79 - HA GLU 122 OK 21 90 - 24 - 8738/10419=4, 8729=3...(9) QD1 ILE 56 - HA GLU 122 poor 10 72 - 13 - 1480/3.0=1 QD2 LEU 64 - HA GLU 122 poor 9 51 - 17 - 3.1/11533=2, 9847/3.0=2...(6) QD1 LEU 126 - HA GLU 122 poor 8 76 - 11 - 11376/2037=1, 11378/2012=1 Peak 10920 from aliabs.peaks (2.70, 0.55, 22.76 ppm; 4.49 A): 3 out of 4 assignments used, quality = 0.66: HB3 TYR 115 + QD1 LEU 42 OK 44 72 - 61 - 2.9/10279=27, ~11599=14...(9) HB3 CYS 121 + QD1 LEU 42 OK 31 96 - 32 - 4.1/10740=9, 11379=9...(7) HB2 ASP 137 + QD1 LEU 42 OK 12 92 - 13 - 11379=4, 9711/3.2=3...(4) HB2 ASP 32 - QD1 LEU 42 lone 7 85 - 8 - 11379=2, 3834/10279=1 Peak 10922 from aliabs.peaks (0.95, 4.39, 53.18 ppm; 5.39 A): 0 out of 4 assignments used, low quality = 0.35: HG3 ARG 35 - HA ASP 30 OK 14 68 - 21 - 6135/3.0=8, ~593=5...(4) QG1 VAL 53 - HA ASP 30 OK 14 72 - 19 - 6134/3.0=6, ~8236=5...(6) QG2 ILE 91 - HA ASP 30 OK 12 99 - 12 - 10700/10695=9...(3) QG2 VAL 63 - HA ASP 30 lone 9 98 - 10 - 6134/3.0=4, ~6134=3 Peak 10925 from aliabs.peaks (4.67, 4.47, 44.43 ppm; 5.51 A): 0 out of 3 assignments used, low quality = 0.33: HA MET 11 - HA3 GLY 31 OK 33 94 - 35 - ~10975=16, ~8012=13, ~8010=9 HA GLN 111 - HA3 GLY 31 lone 7 94 - 7 - 6152/3.5=4 HA ASP 16 - HA3 GLY 31 lone 1 77 - 1 - Peak 10926 from aliabs.peaks (3.54, 4.72, 56.39 ppm; 6.61 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 52 + HA THR 51 OK 100 100 - 100 - 3.8=100 HB2 PHE 45 - HA THR 51 OK 21 72 - 29 - 8214/3.2=12, 1331/3.8=6...(4) Peak 10928 from aliabs.peaks (2.73, 4.10, 62.20 ppm; 4.62 A): 0 out of 9 assignments used, low quality = 0.11: HB3 MET 46 - HA PRO 52 OK 11 96 - 11 - 3.0/10641=5, 4.2/10456=2 HB3 ASP 13 - HA PRO 52 lone 6 89 - 7 - 8021/2.3=2, 8021/3.8=2, ~8005=1 HB3 PHE 43 - HA PRO 52 lone 5 62 - 9 - 8244/3.6=8 HB2 ASN 84 - HA PRO 52 lone 3 96 - 3 - 3.5/10152=1 HB3 TYR 70 - HA PRO 52 lone 3 100 - 3 - 8244/3.6=1 HB2 ASN 96 - HA PRO 52 lone 3 68 - 4 - 8244/3.6=3 HB2 ASN 54 - HA PRO 52 lone 2 68 - 3 - 8244/3.6=2 HB3 GLU 120 - HA PRO 52 lone 2 98 - 2 - HB3 ASP 16 - HA PRO 52 lone 1 72 - 1 - Peak 10929 from aliabs.peaks (3.96, 3.60, 57.58 ppm; 6.09 A): 2 out of 9 assignments used, quality = 1.00: HA ALA 60 + HA LYS 61 OK 100 100 - 100 - 4.8=100 HD3 PRO 129 + HA LYS 61 OK 53 89 - 60 - 3.0/1652=8, 8334/3.8=8...(18) HA PHE 106 - HA LYS 61 OK 31 100 - 31 - 8333=7, 3429/3541=3...(12) HA3 GLY 94 - HA LYS 61 OK 16 100 - 16 - 6562/3.0=4, 8333=3, 1646/10527=3 HA LYS 48 - HA LYS 61 OK 14 92 - 15 - 8333=2, 6562/3.0=2...(6) HA LYS 86 - HA LYS 61 lone 8 92 - 9 - 8334/3.8=2, 8334/3.8=2 HB3 SER 103 - HA LYS 61 lone 7 94 - 7 - 8333=1 HA3 GLY 143 - HA LYS 61 lone 5 96 - 5 - HA LEU 29 - HA LYS 61 lone 4 85 - 4 - Peak 10930 from aliabs.peaks (3.96, 2.08, 30.20 ppm; 6.48 A): 3 out of 18 assignments used, quality = 0.99: HA ALA 60 + HB3 LYS 61 OK 93 100 - 93 - 1644/3.8=46, 8333/3.0=32...(13) HD3 PRO 129 + HB2 GLU 131 OK 71 75 - 94 - 4.8/11644=24...(37) HD3 PRO 129 + HB3 LYS 61 OK 61 89 - 69 - 10929/3.0=9, 8334/3.0=9...(21) HA LEU 29 - HB2 GLU 131 OK 43 72 - 59 - ~10531=15, 4.0/10291=14...(9) HA PHE 106 - HB3 LYS 61 OK 29 100 - 29 - 8333/3.0=7, ~10528=6...(8) HA3 GLY 143 - HB2 GLU 131 OK 20 84 - 24 - ~7869=6, 3.0/7867=5...(6) HA PHE 106 - HB2 GLU 131 OK 20 90 - 22 - 3.7/9230=4, ~9568=3...(7) HA LYS 48 - HB3 LYS 61 OK 16 92 - 18 - 4.8/1244=3, 10929/3.0=2...(6) HA LYS 86 - HB3 LYS 61 OK 16 92 - 17 - ~8868=5, 8334/3.0=2...(5) HA ALA 60 - HB2 GLU 131 OK 15 90 - 17 - 4.8/1672=8, 3.6/6566=3 HA3 GLY 94 - HB3 LYS 61 OK 12 100 - 12 - 6562/3.8=3, 8333/3.0=3 HA LYS 86 - HB2 GLU 131 poor 10 79 - 13 - HA LEU 29 - HB3 LYS 61 lone 7 85 - 9 - 4.0/10291=2 HA3 GLY 143 - HB3 LYS 61 lone 7 96 - 7 - HB3 SER 103 - HB3 LYS 61 lone 5 94 - 5 - 8333/3.0=1 HA LYS 48 - HB2 GLU 131 lone 4 79 - 5 - 4.8/1244=1 HA3 GLY 94 - HB2 GLU 131 lone 3 90 - 4 - HB3 SER 103 - HB2 GLU 131 lone 3 81 - 3 - 10189/9230=1 Peak 10931 from aliabs.peaks (4.56, 2.26, 33.54 ppm; 4.78 A): 4 out of 10 assignments used, quality = 0.55: HA ASN 130 + HG2 GLN 62 OK 21 77 - 27 - 11399=9, 11399/1.8=7...(9) HA ASN 130 + HG3 GLN 62 OK 20 77 - 26 - 11399/1.8=8, 11399=8...(9) HA MET 59 + HG3 GLN 62 OK 16 94 - 17 - 10411/9852=3, 1595/2.9=2...(4) HA MET 59 + HG2 GLN 62 OK 16 94 - 17 - 10411/9852=3, 1595/2.9=2...(4) HA PRO 98 - HG3 GLN 62 poor 10 77 - 13 - 8311/9852=2, 3.8/1783=2...(6) HA PRO 98 - HG2 GLN 62 poor 10 77 - 13 - 3.8/1775=2, 8311/9852=2...(6) HA LEU 97 - HG3 GLN 62 lone 9 100 - 9 - 3.7/8344=2, 10103/2.9=2 HA LEU 97 - HG2 GLN 62 lone 9 100 - 9 - 3.7/8344=2, 10103/2.9=2 HA GLU 28 - HG3 GLN 62 lone 2 81 - 2 - HA GLU 28 - HG2 GLN 62 lone 2 81 - 2 - Peak 10932 from aliabs.peaks (2.76, 0.93, 21.61 ppm; 4.92 A): 6 out of 12 assignments used, quality = 0.87: HB3 ASP 40 + QG1 VAL 63 OK 48 98 - 49 - 3.0/11303=9, ~8363=8...(10) HG3 MET 113 + QG1 VAL 63 OK 35 85 - 40 - 3.0/9873=7, 3.3/1799=5...(16) HB2 PHE 38 + QG1 VAL 63 OK 34 92 - 37 - 1.8/10936=15, 4.5/9783=7...(6) HE2 LYS 76 + QG1 VAL 63 OK 19 100 - 19 - 3.9/9871=5, 6.2/9875=3...(5) HE3 LYS 76 + QG1 VAL 63 OK 18 100 - 19 - 3.9/9871=5, 6.2/9875=3...(5) HB3 ASP 137 + QG1 VAL 63 OK 12 100 - 12 - 4.5/9702=4, ~8364=3 HB3 PHE 43 - QG1 VAL 63 poor 10 72 - 13 - 4.5/9832=8, 4.5/11220=1 HE2 LYS 114 - QG1 VAL 63 lone 9 98 - 10 - HB2 ASN 96 - QG1 VAL 63 poor 9 68 - 14 - 3.5/9094=6, 1.8/10935=4 HB2 ASN 54 - QG1 VAL 63 poor 7 68 - 10 - 4.5/10618=4, ~11659=3 HB2 ASP 41 - QG1 VAL 63 lone 6 68 - 9 - ~8364=5, 810/10936=1 HB3 ASP 16 - QG1 VAL 63 lone 1 62 - 2 - Peak 10933 from aliabs.peaks (2.87, 0.93, 21.61 ppm; 4.72 A): 0 out of 1 assignment used, low quality = 0.35: HB2 CYS 121 - QG1 VAL 63 OK 35 100 - 35 - 9874/2.1=26, 8287/8350=8...(4) Peak 10934 from aliabs.peaks (3.02, 0.93, 21.61 ppm; 6.77 A): 0 out of 3 assignments used, low quality = 0.36: HB2 PHE 67 - QG1 VAL 63 OK 19 94 - 21 - 1864/10937=4...(6) HE3 LYS 36 - QG1 VAL 63 OK 11 99 - 11 - 4.8/9872=2 HE2 LYS 36 - QG1 VAL 63 OK 11 98 - 11 - 4.8/9872=2 Peak 10935 from aliabs.peaks (3.11, 0.93, 21.61 ppm; 5.90 A): 7 out of 7 assignments used, quality = 0.82: HB3 PHE 106 + QG1 VAL 63 OK 44 89 - 50 - 10170/3.2=11, ~10219=10...(8) HA ALA 105 + QG1 VAL 63 OK 33 89 - 37 - 2.1/9220=11, 3413=7...(7) HB3 ASN 96 + QG1 VAL 63 OK 18 100 - 18 - 3.5/9094=9, 1.8/10932=2 HA TYR 119 + QG1 VAL 63 OK 17 89 - 19 - 9421/8292=5, 9421/8350=2...(7) HD2 ARG 145 + QG1 VAL 63 OK 12 100 - 12 - ~10170=2, 10170/3.2=2 HD3 ARG 145 + QG1 VAL 63 OK 12 100 - 12 - ~10170=2, 10170/3.2=2 HD2 ARG 109 + QG1 VAL 63 OK 10 100 - 10 - 10170/3.2=1 Peak 10936 from aliabs.peaks (3.35, 0.93, 21.61 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.64: HD2 PRO 57 + QG1 VAL 63 OK 43 62 - 69 - 3.0/9873=21, ~9830=16...(8) HB3 PHE 38 + QG1 VAL 63 OK 37 99 - 38 - 4.5/9783=9, 8359/2.1=9...(7) Peak 10937 from aliabs.peaks (2.48, 0.93, 21.61 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.88: HB2 ASP 65 + QG1 VAL 63 OK 81 100 - 81 - ~8383=23, 3.0/9876=21...(14) HB3 GLU 131 + QG1 VAL 63 OK 34 96 - 36 - 9558=7, 1.8/10291=7...(8) Peak 10938 from aliabs.peaks (4.25, 3.52, 44.28 ppm; 5.01 A): 0 out of 8 assignments used, low quality = 0.00: HA ARG 49 - HA2 GLY 77 poor 10 68 - 14 - 3.0/8685=3, ~8689=2...(5) HA GLU 142 - HA2 GLY 77 lone 9 98 - 9 - 4.0/8690=4, ~8676=3 HA2 GLY 50 - HA2 GLY 77 lone 4 100 - 4 - HA ALA 135 - HA2 GLY 77 lone 3 92 - 3 - ~6827=2 HB THR 92 - HA2 GLY 77 lone 2 100 - 2 - HA SER 138 - HA2 GLY 77 lone 1 68 - 1 - HA ARG 141 - HA2 GLY 77 lone 1 57 - 1 - HB THR 99 - HA2 GLY 77 lone 1 68 - 1 - Peak 10939 from aliabs.peaks (8.30, 3.08, 43.05 ppm; 4.71 A): 0 out of 1 assignment used, low quality = 0.00: H VAL 71 - HA2 GLY 78 lone 3 68 - 5 - Peak 10940 from aliabs.peaks (7.07, 0.70, 22.14 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.60: QD TYR 70 + QD2 LEU 39 OK 38 68 - 56 - 2.6/8119=13, 2.6/862=10...(14) QE PHE 67 + QD2 LEU 39 OK 36 85 - 42 - 4.4/8118=11, 2.2/11221=8...(10) Peak 10941 from aliabs.peaks (6.86, 0.70, 22.14 ppm; 6.39 A): 0 out of 2 assignments used, low quality = 0.00: HD2 HIS 14 - QD2 LEU 39 poor 8 68 - 11 - 4503/8118=3...(3) HZ PHE 23 - QD2 LEU 39 lone 2 81 - 3 - Peak 10942 from aliabs.peaks (2.43, 4.28, 54.31 ppm; 4.63 A): 1 out of 8 assignments used, quality = 0.52: HG2 MET 68 + HA LEU 95 OK 52 100 - 52 - 8428/3.9=14, 3.3/8420=11...(16) QE MET 46 - HA LEU 95 poor 10 89 - 11 - 9071/4.0=2, 9071/3125=1...(5) HB3 PRO 33 - HA LEU 95 lone 5 100 - 5 - 9076/3.9=2, 1995/8420=1 HG2 GLN 133 - HA LEU 95 lone 3 85 - 4 - HG2 MET 11 - HA LEU 95 lone 3 89 - 4 - HG3 GLN 133 - HA LEU 95 lone 3 81 - 4 - HG2 GLN 47 - HA LEU 95 lone 3 96 - 3 - HG3 GLN 47 - HA LEU 95 lone 3 96 - 3 - Peak 10943 from aliabs.peaks (7.51, 0.80, 22.65 ppm; 5.55 A): 4 out of 4 assignments used, quality = 0.91: H TYR 70 + QD1 LEU 79 OK 66 100 - 66 - 4.0/9930=22, 2.9/8480=11...(16) H TYR 70 + QD2 LEU 95 OK 49 93 - 53 - 4.0/9930=16, 3.6/8468=10...(15) H TYR 70 + QD2 LEU 72 OK 27 35 - 75 - 6716/5.0=16, 4.1/8493=12...(18) H TYR 70 + QG2 THR 74 OK 26 66 - 39 - 2.9/8480=10, 4.0/9930=6...(14) Peak 10944 from aliabs.peaks (7.64, 0.80, 22.65 ppm; 5.49 A): 3 out of 8 assignments used, quality = 0.95: H VAL 82 + QD1 LEU 79 OK 75 100 - 75 - 2363/4.0=24, 4.0/9941=22...(18) H LEU 66 + QD1 LEU 79 OK 66 100 - 66 - ~11154=13, 4.4/9853=11...(15) H LEU 66 + QD2 LEU 95 OK 47 92 - 51 - 4.6/8384=11, 4.4/9853=10...(13) H VAL 82 - QD2 LEU 95 OK 38 92 - 41 - 4.0/9941=10, ~6910=5...(12) H VAL 82 - QG2 THR 74 OK 30 66 - 46 - ~11037=9, 4.0/9941=8...(14) H LEU 66 - QG2 THR 74 OK 24 65 - 36 - 4.4/9853=7, 4.6/8384=6...(8) H VAL 82 - QD2 LEU 72 OK 12 35 - 34 - ~8800=5, 4.0/8814=5...(11) H LEU 66 - QD2 LEU 72 poor 6 34 - 17 - 4.6/8384=4, 4.6/8382=3...(5) Peak 10945 from aliabs.peaks (3.65, 1.60, 41.43 ppm; 6.29 A): 3 out of 3 assignments used, quality = 0.92: HA THR 92 + HB2 LEU 97 OK 81 81 - 100 - 3.2/10104=35...(30) HA2 GLY 94 + HB2 LEU 97 OK 51 100 - 51 - 11426/1.8=19...(11) HD3 PRO 12 + HB2 LEU 97 OK 15 72 - 20 - 9116/3.2=4, 9101/4.0=4...(6) Peak 10946 from aliabs.peaks (3.66, 1.26, 41.43 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.99: HA THR 92 + HB3 LEU 97 OK 98 100 - 98 - 9124/3.1=29...(29) HA ILE 83 + HB3 LEU 97 OK 56 77 - 73 - 9124/3.1=16, 3.2/3207=12...(20) HA2 GLY 94 - HB3 LEU 97 OK 41 85 - 48 - 9124/3.1=12, 11426=12...(11) Peak 10947 from aliabs.peaks (4.25, 1.68, 26.52 ppm; 4.55 A): 3 out of 10 assignments used, quality = 0.99: HB THR 92 + HG LEU 97 OK 96 100 - 96 - ~9130=24, ~9130=23...(25) HA2 GLY 50 + HG LEU 97 OK 51 100 - 51 - 9113/2.1=8, 2.9/3209=8...(12) HA ARG 141 + HG LEU 97 OK 50 68 - 75 - ~10132=10, 2.9/7844=9...(24) HA GLU 142 - HG LEU 97 OK 32 100 - 32 - 2.9/7854=8, 9113/2.1=5...(9) HA ALA 135 - HG LEU 97 OK 19 85 - 22 - ~10444=5, ~10319=4...(7) HA2 GLY 50 - HG LEU 26 poor 10 64 - 15 - ~10563=2, ~10875=2...(8) HB THR 92 - HG LEU 26 poor 9 64 - 14 - 9099/7158=2, 9113/3227=2...(9) HA ARG 141 - HG LEU 26 poor 8 36 - 22 - 3.8/4800=4, 3.0/4791=4...(9) HA GLU 142 - HG LEU 26 lone 4 63 - 7 - 2.9/7854=2 HA ALA 135 - HG LEU 26 lone 1 49 - 2 - Peak 10948 from aliabs.peaks (4.26, 0.85, 22.49 ppm; 3.78 A): 3 out of 7 assignments used, quality = 0.94: HB THR 92 + QD2 LEU 97 OK 83 94 - 88 - 3.0/9124=17, ~9130=17...(22) HB THR 99 + QD2 LEU 97 OK 46 85 - 54 - ~9155=8, ~9155=7...(17) HA2 GLY 50 + QD2 LEU 97 OK 39 99 - 40 - 2.9/3216=10, 9113/2.1=6...(11) HA ARG 49 - QD2 LEU 97 OK 32 85 - 38 - 3.0/11586=14, 3.6/3216=8...(10) HA ALA 135 - QD2 LEU 97 OK 23 99 - 23 - 4.9/9651=9, ~10444=3...(7) HA GLU 142 - QD2 LEU 97 OK 19 89 - 21 - 9113/2.1=4, ~7854=3...(9) HA SER 138 - QD2 LEU 97 OK 12 85 - 14 - 4.9/9705=3, 10349/8855=3...(5) Peak 10949 from aliabs.peaks (0.35, 2.95, 41.12 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.98: QD2 LEU 42 + HB2 TYR 115 OK 91 100 - 91 - 11599=47, ~10279=44...(13) QD1 ILE 91 + HB2 TYR 115 OK 72 89 - 81 - ~10642=27, 3.3/10640=17...(15) HG2 LYS 123 - HB2 TYR 115 OK 30 77 - 39 - ~10248=18, 11412/3839=4...(10) Peak 10950 from aliabs.peaks (0.54, 0.71, 22.08 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.48: QD1 ILE 58 + QD2 LEU 87 OK 40 94 - 43 - 2.1/2804=7, 2.1/2805=6...(19) QD1 LEU 42 + QD2 LEU 87 OK 13 72 - 18 - ~10062=5, 2.1/10060=4...(4) Peak 10951 from aliabs.peaks (0.30, 0.70, 22.14 ppm; 5.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10952 from aliabs.peaks (1.68, 2.48, 38.87 ppm; 6.72 A): 2 out of 12 assignments used, quality = 0.97: HB2 MET 68 + HB2 ASP 65 OK 84 94 - 89 - 11529=45, 1.8/11481=32...(15) HG LEU 26 + HB2 ASP 65 OK 79 81 - 97 - ~10818=42, ~10902=33...(14) HB2 LEU 95 - HB2 ASP 65 OK 40 72 - 55 - ~8384=15, 3.1/8382=15...(9) HG3 ARG 141 - HB2 ASP 65 OK 33 99 - 33 - 2.8/11481=7, 10954/1.8=6...(9) HG LEU 97 - HB2 ASP 65 OK 17 98 - 17 - ~11427=3, 10954/1.8=3...(6) HD3 LYS 48 - HB2 ASP 65 lone 9 96 - 9 - 11445/1.8=1, ~11445=1...(4) HD3 LYS 93 - HB2 ASP 65 poor 8 68 - 12 - 10819/3.0=3...(5) HG13 ILE 136 - HB2 ASP 65 lone 7 77 - 10 - 10842/8066=2...(5) HB VAL 71 - HB2 ASP 65 poor 7 72 - 10 - 11445/1.8=2...(4) HD2 LYS 48 - HB2 ASP 65 lone 7 72 - 9 - 11445/1.8=1, ~11445=1...(4) HG2 ARG 89 - HB2 ASP 65 lone 6 72 - 9 - ~8385=2, ~8385=2...(4) HB2 ARG 145 - HB2 ASP 65 lone 4 85 - 5 - Peak 10954 from aliabs.peaks (1.69, 3.04, 38.87 ppm; 6.80 A): 1 out of 6 assignments used, quality = 0.95: HG LEU 26 + HB3 ASP 65 OK 95 100 - 95 - ~10818=43, ~10902=33...(15) HG3 ARG 141 - HB3 ASP 65 OK 33 98 - 34 - ~11481=7, 2.8/9887=7...(10) HB3 LEU 95 - HB3 ASP 65 OK 30 62 - 49 - 3.1/8384=18, ~8382=13...(7) HG LEU 97 - HB3 ASP 65 OK 18 99 - 18 - 271/10564=4, ~11427=3...(7) HD3 LYS 48 - HB3 ASP 65 lone 5 62 - 7 - HD2 LYS 86 - HB3 ASP 65 lone 4 72 - 6 - 271/10564=1, 3154/8384=1 Peak 10955 from aliabs.peaks (4.01, 4.43, 57.91 ppm; 3.33 A): 1 out of 9 assignments used, quality = 0.61: HA VAL 63 + HA ILE 58 OK 61 92 - 67 - 8364=21, 8281/3.2=12...(13) HA GLU 81 - HA ILE 58 lone 6 62 - 10 - 8281/3.2=3, 8284/4.1=1...(4) HB3 SER 100 - HA ILE 58 lone 5 100 - 5 - 8281/3.2=2 HA GLU 122 - HA ILE 58 lone 5 100 - 5 - 8281/3.2=2, ~9460=1 HA LEU 69 - HA ILE 58 lone 5 96 - 5 - 8281/3.2=2 HA GLU 37 - HA ILE 58 lone 3 77 - 4 - HB THR 107 - HA ILE 58 lone 3 68 - 5 - 8281/3.2=1 HB2 SER 103 - HA ILE 58 lone 2 100 - 2 - HA LYS 114 - HA ILE 58 lone 1 68 - 1 - Peak 10956 from aliabs.peaks (1.71, 4.02, 62.82 ppm; 4.62 A): 0 out of 10 assignments used, low quality = 0.44: HD2 LYS 93 - HA VAL 63 OK 20 100 - 20 - 11455/3.2=6, 3.0/10169=4...(6) HB2 LYS 85 - HA VAL 63 OK 20 85 - 24 - 3.9/6948=7, 1.8/8355=6...(7) HD2 LYS 86 - HA VAL 63 OK 12 92 - 13 - ~8875=4, ~9830=2, ~9873=2 HB3 LEU 95 - HA VAL 63 lone 7 96 - 7 - ~8352=1 HB3 ARG 109 - HA VAL 63 lone 3 72 - 4 - 3.6/10170=1 HB2 LYS 85 - HB3 SER 100 lone 2 43 - 4 - 3.9/6948=2 HD2 LYS 93 - HB3 SER 100 lone 2 56 - 3 - HB3 LEU 95 - HB3 SER 100 lone 1 51 - 2 - HD2 LYS 86 - HB3 SER 100 lone 1 47 - 2 - HB3 ARG 109 - HB3 SER 100 lone 0 34 - 1 - Peak 10959 from aliabs.peaks (7.15, 3.29, 30.04 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: QD TYR 117 - HB3 TRP 17 lone 2 85 - 3 - Peak 10960 from aliabs.peaks (0.66, 1.69, 26.80 ppm; 6.30 A): 4 out of 8 assignments used, quality = 0.93: QD1 ILE 56 + HG LEU 26 OK 72 85 - 84 - 10428/2.1=39...(17) QD2 LEU 64 + HG LEU 97 OK 44 60 - 74 - 9847/5.3=11, ~9130=11...(22) QD1 ILE 56 + HG LEU 97 OK 33 49 - 67 - ~9129=12, ~11010=8...(24) QD2 LEU 64 + HG LEU 26 OK 32 98 - 33 - 9869/11455=9, ~10569=6...(10) QD1 LEU 126 - HG LEU 26 OK 23 81 - 28 - 4757/10598=12, ~10961=7...(6) HB3 LEU 116 - HG LEU 26 OK 19 68 - 28 - 10571/2.1=5, ~10231=5...(8) QD1 LEU 126 - HG LEU 97 lone 3 46 - 6 - 4757/10598=1, 4.7/11084=1 HB3 LEU 116 - HG LEU 97 lone 2 36 - 6 - Peak 10961 from aliabs.peaks (1.56, 1.08, 26.57 ppm; 3.88 A): 0 out of 10 assignments used, low quality = 0.00: HD2 LYS 85 - QD2 LEU 26 lone 9 100 - 9 - 2628/2.1=2 HB2 LEU 126 - QD2 LEU 26 lone 8 98 - 8 - 4279/10595=1, 6638/11443=1 HG2 ARG 109 - QD2 LEU 26 lone 7 100 - 7 - 3552/11466=1 HD3 LYS 85 - QD2 LEU 26 lone 7 81 - 8 - ~2628=1 HG3 ARG 109 - QD2 LEU 26 lone 4 62 - 6 - 3561/11466=1 HG2 ARG 145 - QD2 LEU 26 lone 3 100 - 3 - HG3 ARG 145 - QD2 LEU 26 lone 2 100 - 2 - HG2 ARG 55 - QD2 LEU 26 lone 2 99 - 2 - HG3 ARG 55 - QD2 LEU 26 lone 1 96 - 1 - HB3 LEU 79 - QD2 LEU 26 lone 1 68 - 2 - Peak 10962 from aliabs.peaks (6.71, 1.08, 26.57 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.71: HZ PHE 43 + QD2 LEU 26 OK 71 100 - 71 - 10598/2.1=24, 10883=20...(11) HZ3 TRP 17 - QD2 LEU 26 poor 9 62 - 14 - 5521/10556=4...(4) Peak 10963 from aliabs.peaks (0.91, 4.01, 58.18 ppm; 3.70 A): 5 out of 12 assignments used, quality = 0.67: QG2 VAL 80 + HA LEU 69 OK 24 100 - 24 - 8747/4.9=3, 2.1/2009=3...(8) QG2 VAL 80 + HA GLU 122 OK 23 91 - 25 - 8753/3.0=8, 9987/3.0=5...(7) QG2 ILE 136 + HA LEU 69 OK 23 77 - 30 - 3.0/8468=5, 2.1/2002=3...(13) QD1 ILE 101 + HA LEU 69 OK 15 77 - 20 - 9179=4, 3.2/2002=2...(6) QG2 ILE 101 + HA LEU 69 OK 15 68 - 22 - 3.1/9179=4, 2.1/2002=3...(8) HB2 LEU 64 - HA LEU 69 poor 10 72 - 13 - ~11377=4, ~11378=3...(4) QG2 ILE 136 - HA GLU 122 poor 7 65 - 11 - 3.0/8468=1, 11044/3.9=1, ~9691=1 QD1 LEU 97 - HA LEU 69 lone 5 81 - 6 - QD1 ILE 101 - HA GLU 122 lone 5 65 - 7 - 9179=1, 10171/3.0=1 QG2 ILE 101 - HA GLU 122 lone 4 56 - 6 - 3.1/9179=1, ~10171=1 HB2 LEU 64 - HA GLU 122 lone 4 60 - 6 - QD1 LEU 97 - HA GLU 122 lone 3 69 - 4 - Peak 10964 from aliabs.peaks (1.00, 1.54, 18.21 ppm; 3.36 A): 2 out of 2 assignments used, quality = 0.66: HG12 ILE 136 + QB ALA 135 OK 55 96 - 57 - 2.3/10319=16...(14) QD1 LEU 116 + QB ALA 135 OK 25 85 - 29 - 11611=6, 7749/3.7=4...(7) Peak 10965 from aliabs.peaks (0.02, 0.98, 25.10 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.61: QD1 LEU 39 + QD1 LEU 29 OK 61 68 - 91 - 11472=50, 2.1/847=17...(23) Peak 10967 from aliabs.peaks (2.10, 1.51, 25.32 ppm; 4.17 A): 2 out of 12 assignments used, quality = 0.99: HG2 PRO 33 + HG2 LYS 34 OK 94 100 - 94 - 10994=25, 1.8/10997=20...(47) HG3 PRO 33 + HG2 LYS 34 OK 87 92 - 94 - 10997=22, 1.8/10994=20...(46) HB2 LEU 26 - HG2 LYS 34 OK 38 62 - 62 - 1.8/520=8, ~10584=7...(30) HG2 GLU 122 - HG2 LYS 34 OK 29 100 - 29 - 4082=4, 3.0/517=3...(11) HG2 PRO 118 - HG2 LYS 34 OK 22 81 - 27 - ~10522=4, 2.3/516=3...(12) HB3 LYS 61 - HG2 LYS 34 OK 19 77 - 25 - 1.8/517=4, ~528=3...(8) HB3 LYS 36 - HG2 LYS 34 OK 14 98 - 15 - 3.9/11170=7, 6160/5.0=3...(4) HB2 GLU 131 - HG2 LYS 34 OK 14 85 - 16 - 1.8/9556=4, 4.0/9550=4...(4) HB3 GLN 25 - HG2 LYS 34 lone 9 99 - 9 - ~10522=2, 6159/5.0=2 HD2 ARG 49 - HG2 LYS 34 lone 6 68 - 9 - 8193/9135=1 HB2 PRO 129 - HG2 LYS 34 lone 4 89 - 4 - HB3 GLU 142 - HG2 LYS 34 lone 3 100 - 2 - Peak 10968 from aliabs.peaks (2.07, 1.63, 25.32 ppm; 3.85 A): 4 out of 8 assignments used, quality = 0.91: HB2 LEU 26 + HG3 LYS 34 OK 54 89 - 61 - 3.0/527=6, ~10584=6...(30) HG3 PRO 98 + HG3 LYS 34 OK 53 62 - 85 - 2.3/9131=21, ~9138=10...(45) HA ARG 35 + HG3 LYS 34 OK 52 100 - 52 - 2.8/6179=10, ~6176=8...(11) HB3 LYS 61 + HG3 LYS 34 OK 17 77 - 21 - 1.8/528=3, ~517=2...(8) HB2 GLU 131 - HG3 LYS 34 poor 7 68 - 11 - ~9556=3, ~9556=3 HD2 ARG 49 - HG3 LYS 34 lone 7 85 - 8 - 8193/9134=1 HB3 GLN 62 - HG3 LYS 34 lone 5 81 - 6 - ~10519=1 HB2 PRO 129 - HG3 LYS 34 lone 2 62 - 3 - Peak 10969 from aliabs.peaks (2.70, 2.07, 58.34 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.87: HB2 ASP 32 + HA ARG 35 OK 74 94 - 78 - ~9771=30, 10813/2.8=26...(7) HB3 TYR 115 + HA ARG 35 OK 38 85 - 44 - 2.5/581=12, ~593=9...(10) HB2 ASP 137 + HA ARG 35 OK 24 98 - 25 - 4.5/11627=20 HB2 PHE 43 - HA ARG 35 poor 9 68 - 14 - 4.5/9802=9, 7778/11627=2 HB3 CYS 121 - HA ARG 35 lone 3 89 - 3 - Peak 10970 from aliabs.peaks (3.80, 1.87, 32.12 ppm; 4.10 A): 3 out of 6 assignments used, quality = 0.66: HA TYR 27 + HB2 LYS 36 OK 44 77 - 58 - 10971/1.8=27, ~11208=13...(9) HA GLN 47 + HB3 LYS 48 OK 25 73 - 35 - 3.6/6444=14...(5) HA GLN 47 + HB2 LYS 48 OK 19 57 - 33 - 3.6/6443=14, 2.9/11664=9...(5) HA GLN 47 - HB2 LYS 36 lone 8 89 - 9 - 3.6/6443=3, 11476/1.8=2 HA TYR 27 - HB3 LYS 48 poor 7 62 - 11 - 6435/3.8=4, 10971/674=2...(4) HA TYR 27 - HB2 LYS 48 poor 5 48 - 11 - 6435/3.8=4, 10971/674=2...(4) Peak 10971 from aliabs.peaks (3.79, 2.10, 32.12 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.65: HA TYR 27 + HB3 LYS 36 OK 65 94 - 69 - 10970/1.8=18, ~11208=17...(10) HA GLN 47 - HB3 LYS 36 lone 5 68 - 8 - 10970/1.8=3, ~11664=2 Peak 10972 from aliabs.peaks (1.19, 2.26, 36.00 ppm; 4.96 A): 0 out of 7 assignments used, low quality = 0.38: QD1 LEU 69 - HG3 GLU 90 OK 19 96 - 19 - 10075/4.6=5, 9883/7053=5...(4) HB2 LEU 72 - HG3 GLU 90 OK 15 99 - 15 - 10075/4.6=5, 8537/9808=4...(4) QD1 LEU 26 - HG3 GLU 90 OK 11 81 - 13 - 3.2/11492=3, 4.0/2939=2...(5) QG2 THR 18 - HG3 GLU 90 lone 7 100 - 7 - 10864/3.0=2, 10864/3.0=2 HB3 LEU 108 - HG3 GLU 90 lone 6 96 - 6 - 3.0/10973=2, ~10076=1 HG12 ILE 56 - HG3 GLU 90 lone 2 100 - 2 - HG13 ILE 56 - HG3 GLU 90 lone 1 68 - 2 - Peak 10973 from aliabs.peaks (1.61, 2.26, 36.00 ppm; 3.75 A): 2 out of 11 assignments used, quality = 0.71: HB2 LEU 87 + HG3 GLU 90 OK 61 96 - 63 - 3.2/9807=17, 3.1/9807=16...(16) HG3 LYS 34 + HG3 GLU 90 OK 26 68 - 39 - 2.9/2940=10, 4.0/2939=6...(14) HG LEU 108 - HG3 GLU 90 lone 5 94 - 5 - 3.0/10972=2 HG3 ARG 49 - HG3 GLU 90 lone 4 100 - 4 - HG3 LYS 48 - HG3 GLU 90 lone 3 100 - 3 - HB3 LEU 64 - HG3 GLU 90 lone 3 68 - 5 - HD2 LYS 24 - HG3 GLU 90 lone 3 68 - 4 - HB2 LEU 97 - HG3 GLU 90 lone 3 89 - 3 - HG3 ARG 144 - HG3 GLU 90 lone 2 100 - 2 - HG2 ARG 144 - HG3 GLU 90 lone 1 77 - 1 - HG2 ARG 141 - HG3 GLU 90 lone 1 92 - 1 - Peak 10974 from aliabs.peaks (3.84, 1.38, 40.66 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.96: HA LEU 66 + HB3 LEU 39 OK 91 100 - 91 - ~11442=21, ~8392=20...(27) HA GLN 133 + HB3 LEU 39 OK 58 98 - 60 - 9616/1.8=15, 10311=11...(17) HB2 SER 100 - HB3 LEU 39 OK 35 98 - 36 - 10156/3.3=19, 8117/3.2=6...(4) HA3 GLY 50 - HB3 LEU 39 OK 21 62 - 34 - 3.6/8222=18, 2.9/6476=4...(6) HB2 SER 127 - HB3 LEU 39 OK 19 94 - 20 - 8117/3.2=3, 8134/3.0=3...(5) HA ALA 104 - HB3 LEU 39 OK 16 89 - 18 - 8134/3.0=4, 8117/3.2=3 Peak 10975 from aliabs.peaks (3.08, 1.77, 26.52 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.80: HD3 ARG 49 + HG LEU 39 OK 61 94 - 65 - 10661/3.0=10, ~8114=8...(19) HA2 GLY 78 + HG LEU 39 OK 27 96 - 28 - ~8701=22, 9669/11135=2 HB3 HIS 10 + HG LEU 39 OK 19 100 - 19 - 11003/9785=6, ~8118=4...(4) HB3 TRP 88 + HG LEU 39 OK 14 77 - 18 - ~8128=7, ~8128=7, 9669/11135=1 HB3 ASP 30 - HG LEU 39 poor 7 68 - 10 - ~8118=3, ~10758=3 Peak 10976 from aliabs.peaks (1.55, 0.03, 26.33 ppm; 6.37 A): 6 out of 9 assignments used, quality = 0.95: HB2 LEU 29 + QD1 LEU 39 OK 46 68 - 68 - 3.1/11472=24...(10) HG2 ARG 109 + QD1 LEU 39 OK 42 68 - 62 - ~11496=11, ~9273=9...(20) QB ALA 135 + QD1 LEU 39 OK 40 85 - 47 - 10978/2.1=10, 9643/2.1=9...(11) HG3 ARG 55 + QD1 LEU 39 OK 39 89 - 44 - 3.0/854=6, 3.0/854=6...(20) HG2 ARG 55 + QD1 LEU 39 OK 36 81 - 44 - 3.0/854=6, 3.0/854=6...(20) HG2 LYS 93 + QD1 LEU 39 OK 27 92 - 29 - 1.8/10977=10, 3.0/8113=4...(7) HD2 LYS 76 - QD1 LEU 39 OK 16 99 - 16 - ~8665=3, ~10978=3...(5) HB3 LEU 79 - QD1 LEU 39 OK 12 100 - 12 - ~2364=3, ~11557=1...(5) HG3 LYS 76 - QD1 LEU 39 poor 9 62 - 14 - ~8665=3, ~10978=2...(4) Peak 10977 from aliabs.peaks (1.42, 0.03, 26.33 ppm; 4.80 A): 3 out of 3 assignments used, quality = 0.80: HB2 ARG 35 + QD1 LEU 39 OK 59 68 - 87 - 3.0/8100=22...(25) HD2 LYS 114 + QD1 LEU 39 OK 38 98 - 39 - 2.9/8111=14, ~8121=5...(11) HG3 LYS 93 + QD1 LEU 39 OK 23 98 - 23 - 3.0/8113=3, 10808/8046=3...(8) Peak 10978 from aliabs.peaks (1.54, 0.70, 22.14 ppm; 4.20 A): 3 out of 8 assignments used, quality = 0.75: HB2 LEU 29 + QD2 LEU 39 OK 54 99 - 54 - ~11472=11, ~10965=10...(14) QB ALA 135 + QD2 LEU 39 OK 40 100 - 40 - 9643/2.1=10, 10317=8...(12) HG2 LYS 93 + QD2 LEU 39 OK 11 100 - 11 - ~10977=4, ~8113=2, 10976/2.1=1 HG3 LYS 76 - QD2 LEU 39 lone 9 98 - 9 - 3.0/8665=1, 381/863=1 HD2 LYS 76 - QD2 LEU 39 lone 8 96 - 9 - 1.8/8665=2 HG3 LYS 85 - QD2 LEU 39 lone 8 89 - 9 - 3.0/11496=1 HB3 LEU 79 - QD2 LEU 39 lone 5 81 - 6 - ~2364=1 HB2 GLU 122 - QD2 LEU 39 lone 3 89 - 4 - Peak 10979 from aliabs.peaks (1.30, 0.41, 25.33 ppm; 3.54 A): 4 out of 4 assignments used, quality = 0.84: HG LEU 79 + QD2 LEU 132 OK 61 98 - 63 - 2.1/8738=29, 2.1/8741=14...(16) HG LEU 87 + QD2 LEU 132 OK 42 92 - 46 - 2.1/8882=28, 3.0/8878=14...(5) QB ALA 104 + QD2 LEU 132 OK 18 89 - 20 - 9626/10318=2, 2.1/9572=2...(8) HG3 LYS 24 + QD2 LEU 132 OK 11 100 - 11 - 2813/8882=2, 2789/8878=1 Peak 10980 from aliabs.peaks (4.21, 3.21, 34.70 ppm; 6.80 A): 5 out of 7 assignments used, quality = 0.94: HA PHE 43 + HG3 MET 46 OK 61 85 - 71 - 11507/1.8=22, 970/5.1=21...(9) HA PHE 67 + HG3 MET 46 OK 55 98 - 57 - 11507/1.8=13...(14) HA PHE 45 + HG3 MET 46 OK 42 85 - 50 - 3.6/1074=27, 3.1/8172=11...(7) HA ILE 101 + HG3 MET 46 OK 28 98 - 29 - 1018/5.1=9, 11507/1.8=6...(8) HA ALA 134 + HG3 MET 46 OK 17 98 - 17 - 11507/1.8=4, 9648/3.3=2...(7) HA THR 102 - HG3 MET 46 lone 7 94 - 7 - 6379/5.1=3, 11507/1.8=1 HA LYS 93 - HG3 MET 46 lone 6 62 - 9 - 4.8/10086=4, 6379/5.1=2 Peak 10981 from aliabs.peaks (4.09, 2.36, 28.08 ppm; 6.31 A): 4 out of 6 assignments used, quality = 0.94: HD3 PRO 33 + HB2 GLN 47 OK 65 99 - 66 - 3.0/10678=17...(24) HA PRO 52 + HB2 GLN 47 OK 55 72 - 76 - 10459/1.8=28...(10) HD3 PRO 118 + HB2 GLN 47 OK 42 100 - 42 - 3934/3.0=3, 3934/3.0=3...(20) HA VAL 53 + HB2 GLN 47 OK 32 85 - 37 - 9839/2.9=19, 10626/4.0=9...(9) HA LEU 132 - HB2 GLN 47 lone 4 72 - 6 - 4468/9167=1 HA GLU 90 - HB2 GLN 47 lone 4 72 - 5 - Peak 10982 from aliabs.peaks (4.16, 2.95, 41.80 ppm; 3.84 A): 8 out of 40 assignments used, quality = 0.90: HA LYS 76 + HE2 LYS 85 OK 43 99 - 43 - 2243/3.5=5, 2241/4.8=4...(23) HA LYS 76 + HE3 LYS 85 OK 34 79 - 43 - 2243/3.5=5, 2241/4.8=4...(24) HA LEU 126 + HE2 LYS 85 OK 22 83 - 26 - 4268/2.9=2, 4268/2.9=2...(9) HB3 SER 44 + HE2 LYS 48 OK 20 100 - 21 - 8167/3.0=4, 9815=3...(8) HB2 SER 44 + HE2 LYS 48 OK 20 100 - 21 - 8167/3.0=4, 9815=3...(8) HB3 SER 44 + HE3 LYS 48 OK 20 96 - 21 - 8167/3.0=4, 11499/1.8=4...(8) HB2 SER 44 + HE3 LYS 48 OK 20 95 - 21 - 8167/3.0=4, 11499/1.8=4...(8) HA LYS 76 + HE2 LYS 93 OK 19 99 - 20 - 2244/3.8=3, ~3080=2...(8) HA LEU 126 - HE3 LYS 85 OK 16 62 - 26 - 4268/2.9=2, 4268/2.9=2...(8) HA LEU 126 - HE2 LYS 93 OK 14 85 - 17 - 4269/5.1=4, ~11084=2...(6) HB3 SER 44 - HE2 LYS 93 OK 11 100 - 11 - 8167/3.0=2, 9815=2...(6) HA LYS 76 - HE2 LYS 48 OK 11 100 - 11 - 2240/3.6=1 HB2 SER 44 - HE2 LYS 93 OK 11 100 - 11 - 8167/3.0=2, 9815=2...(6) HA LYS 76 - HE3 LYS 48 OK 10 94 - 11 - 2240/3.6=1 HA GLU 131 - HE2 LYS 85 poor 8 61 - 12 - 3.0/9569=3, 4.2/9566=2...(4) HA GLU 131 - HE2 LYS 48 poor 6 62 - 10 - 3.0/9569=2, 4.2/9566=2...(4) HA GLU 131 - HE2 LYS 93 poor 6 62 - 10 - 3.0/9569=2, 4.2/9566=2, ~9569=1 HA LEU 126 - HE2 LYS 48 lone 6 85 - 7 - HA LEU 126 - HE3 LYS 48 lone 5 78 - 6 - HA GLU 131 - HE3 LYS 48 lone 5 56 - 9 - 3.0/9569=2, 4.2/9566=2, ~9569=2 HA GLU 131 - HE3 LYS 85 poor 5 43 - 11 - 3.0/9569=3, ~9569=2...(4) HB3 SER 44 - HE2 LYS 85 lone 5 99 - 5 - HB2 SER 44 - HE2 LYS 85 lone 5 99 - 5 - HA GLU 120 - HE2 LYS 85 lone 5 96 - 5 - ~8864=2, 4012/3.5=1 HB3 SER 44 - HE3 LYS 85 lone 4 81 - 5 - HB2 SER 44 - HE3 LYS 85 lone 4 80 - 5 - HA GLU 120 - HE3 LYS 85 lone 4 76 - 5 - ~8864=2, 4012/3.5=1 HA GLU 120 - HE2 LYS 48 lone 2 98 - 2 - HA GLU 120 - HE3 LYS 48 lone 2 92 - 2 - HA GLU 120 - HE2 LYS 93 lone 1 98 - 1 - HA3 GLY 125 - HE2 LYS 85 lone 1 96 - 1 - HA PHE 38 - HE2 LYS 85 lone 1 83 - 1 - HA3 GLY 125 - HE2 LYS 93 lone 1 98 - 1 - HA3 GLY 125 - HE3 LYS 85 lone 1 76 - 1 - HA3 GLY 125 - HE2 LYS 48 lone 1 98 - 1 - HA PHE 38 - HE3 LYS 85 lone 1 62 - 1 - HA3 GLY 125 - HE3 LYS 48 lone 1 92 - 1 - HA PHE 38 - HE2 LYS 93 lone 1 85 - 1 - HA PHE 38 - HE2 LYS 48 lone 0 85 - 1 - HA PHE 38 - HE3 LYS 48 lone 0 78 - 1 - Peak 10983 from aliabs.peaks (2.14, 3.08, 44.13 ppm; 4.18 A): 0 out of 7 assignments used, low quality = 0.42: HG2 GLU 81 - HD3 ARG 49 OK 25 92 - 27 - 3.0/1294=4, 8780/3.7=4...(11) HG3 PRO 118 - HD3 ARG 49 OK 23 100 - 23 - 11550/9828=6...(6) HG LEU 29 - HD3 ARG 49 poor 8 77 - 11 - 2.1/10661=4, ~8073=2, 369/8216=1 HB3 GLN 133 - HD3 ARG 49 lone 7 100 - 7 - ~10427=1 HB2 GLN 133 - HD3 ARG 49 lone 7 100 - 7 - ~10427=1 HB VAL 53 - HD3 ARG 49 lone 2 62 - 3 - HB2 GLU 75 - HD3 ARG 49 lone 1 62 - 2 - Peak 10984 from aliabs.peaks (1.93, 3.08, 44.13 ppm; 5.23 A): 5 out of 11 assignments used, quality = 0.96: HG13 ILE 83 + HD3 ARG 49 OK 58 99 - 58 - 11136/3.7=17...(15) HB2 LYS 86 + HD3 ARG 49 OK 52 81 - 63 - 2.9/1296=8, ~1287=7...(23) HB3 LEU 132 + HD3 ARG 49 OK 49 98 - 50 - 3.0/1295=5, 2.9/11610=5...(20) HB2 PRO 118 + HD3 ARG 49 OK 44 100 - 44 - 2.3/10983=15...(12) HB ILE 136 + HD3 ARG 49 OK 38 100 - 38 - 2.5/9669=15, 3.0/10749=7...(5) HB2 ARG 140 - HD3 ARG 49 OK 37 96 - 38 - 2.9/1294=4, 4718/3.7=3...(18) HB3 PRO 52 - HD3 ARG 49 OK 10 99 - 10 - 8227/8216=2, 4068/4064=2 HG2 PRO 52 - HD3 ARG 49 poor 10 98 - 10 - 4068/4064=2, 8227/8216=2 HB2 ARG 89 - HD3 ARG 49 lone 8 100 - 8 - 8918/8917=1 HG3 PRO 12 - HD3 ARG 49 lone 8 85 - 9 - 8918/8917=1 HG2 PRO 12 - HD3 ARG 49 lone 4 62 - 7 - Peak 10985 from aliabs.peaks (2.15, 0.97, 18.95 ppm; 6.75 A): 3 out of 5 assignments used, quality = 0.94: HG LEU 29 + QG2 THR 51 OK 82 100 - 82 - ~8062=16, ~8059=15...(20) HG3 PRO 118 + QG2 THR 51 OK 48 85 - 56 - 2.3/8229=14, ~8223=13...(8) HG2 GLU 81 + QG2 THR 51 OK 38 100 - 38 - 8768/2.1=6, ~8773=6...(10) HB3 GLN 133 - QG2 THR 51 OK 22 81 - 27 - 3.0/8213=8, 2.9/8229=6...(8) HB2 GLN 133 - QG2 THR 51 OK 21 77 - 27 - 3.0/8213=8, 2.9/8229=6...(8) Peak 10986 from aliabs.peaks (7.18, 1.80, 27.60 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.94: QE TYR 115 + HG2 PRO 57 OK 91 98 - 93 - 10589/2.3=49, 10590=34...(15) H LYS 36 + HG2 PRO 57 OK 34 96 - 35 - 10787/3.8=9, 10421/2.3=5...(9) QD TYR 27 - HG2 PRO 57 OK 16 100 - 16 - 10421/2.3=2, 10422/2.3=1...(6) Peak 10987 from aliabs.peaks (0.91, 1.91, 35.50 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.99: QD1 LEU 97 + HB2 MET 59 OK 77 81 - 94 - ~9127=27, ~8300=20...(23) QD1 ILE 101 + HB2 MET 59 OK 66 77 - 86 - 10540/4.1=23, ~9186=12...(24) HB2 LEU 64 + HB2 MET 59 OK 66 72 - 91 - 3.2/8299=22, 8301/3.0=19...(19) QG2 ILE 101 + HB2 MET 59 OK 56 68 - 83 - ~9181=14, ~1611=10...(26) QG2 ILE 136 - HB2 MET 59 OK 36 77 - 47 - 10530/4.1=6, ~11135=5...(17) QG2 VAL 80 - HB2 MET 59 OK 20 100 - 20 - 8297/3.9=3, 10530/4.1=2...(5) Peak 10988 from aliabs.peaks (1.76, 0.92, 42.22 ppm; 4.59 A): 3 out of 5 assignments used, quality = 0.72: HB ILE 83 + HB2 LEU 64 OK 53 68 - 78 - ~8376=17, 2.1/1822=15...(22) HG LEU 66 + HB2 LEU 64 OK 29 99 - 29 - ~9857=16, ~9891=7...(5) HG LEU 95 + HB2 LEU 64 OK 18 100 - 18 - 11018/3.0=4, ~9838=3...(7) HB3 ARG 35 - HB2 LEU 64 poor 10 81 - 12 - 11018/3.0=2, ~8368=2, 8389/4.4=2 HB2 PRO 12 - HB2 LEU 64 lone 5 100 - 5 - 2516/1822=1, 11018/3.0=1 Peak 10989 from aliabs.peaks (6.96, 1.77, 26.52 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: QD PHE 23 - HG LEU 39 poor 7 62 - 11 - 10779/851=3, 10555/614=3...(4) Peak 10990 from aliabs.peaks (0.97, 0.60, 21.23 ppm; 3.06 A): 4 out of 4 assignments used, quality = 0.75: HB2 LEU 39 + QD1 LEU 66 OK 52 89 - 58 - 3.2/1912=6, 11442/4.5=5...(28) HG3 ARG 35 + QD1 LEU 66 OK 33 92 - 36 - ~11466=6, 1.8/10911=6...(12) QD1 LEU 29 + QD1 LEU 66 OK 12 94 - 13 - 8075/9891=1, 8062/9885=1...(4) QG2 THR 51 + QD1 LEU 66 OK 12 100 - 12 - 8213/4.0=2, 8227/2.1=1 Peak 10991 from aliabs.peaks (6.96, 0.69, 24.82 ppm; 6.47 A): 1 out of 1 assignment used, quality = 0.59: QD PHE 38 + QD2 LEU 66 OK 59 62 - 94 - 9904/2.1=48, ~8521=41...(13) Peak 10992 from aliabs.peaks (0.96, 2.54, 31.81 ppm; 5.23 A): 3 out of 3 assignments used, quality = 0.48: QG2 VAL 63 + HG3 MET 68 OK 27 94 - 29 - 11478/1.8=10, 8352/2.9=5...(4) QG2 THR 51 + HG3 MET 68 OK 18 92 - 20 - 10461/3.3=5, 9915/1.8=4...(4) HG3 ARG 35 + HG3 MET 68 OK 12 100 - 12 - 4.5/9873=3, 8442/4.4=3 Peak 10993 from aliabs.peaks (3.91, 1.18, 23.77 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.72: HA MET 46 + QD1 LEU 69 OK 50 100 - 51 - 2.9/9876=20, 11506/3.2=8...(11) HA TYR 112 + QD1 LEU 69 OK 44 62 - 70 - 3.7/8457=25, 2.9/9875=18...(13) HD2 PRO 129 - QD1 LEU 69 lone 3 81 - 4 - HA2 GLY 143 - QD1 LEU 69 lone 3 81 - 3 - ~9752=1 Peak 10995 from aliabs.peaks (3.70, 1.18, 42.88 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.87: HA ILE 136 + HB2 LEU 72 OK 61 85 - 72 - 11544=17, 11545/3.0=10...(15) HA ILE 91 + HB2 LEU 72 OK 61 62 - 97 - 11545/3.0=36...(25) HA THR 107 + HB2 LEU 72 OK 16 68 - 24 - ~9237=5, 11544=5...(6) Peak 10997 from aliabs.peaks (3.99, 1.81, 42.88 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.96: HA GLU 75 + HB3 LEU 72 OK 76 77 - 98 - ~2112=26, ~2112=23...(28) HB3 SER 127 + HB3 LEU 72 OK 59 100 - 59 - 4326/3.0=8, 1.8/2126=8...(16) HA LEU 69 + HB3 LEU 72 OK 55 62 - 89 - 2007/3.4=18, ~6694=15...(24) HA MET 113 - HB3 LEU 72 OK 31 98 - 31 - 9318/3.1=7, 6753/4.4=6...(6) HB2 SER 138 - HB3 LEU 72 OK 26 99 - 26 - 6753/4.4=4, 3.0/10469=4...(8) HB3 SER 138 - HB3 LEU 72 OK 26 98 - 26 - 6753/4.4=4, 3.0/10469=4...(8) HA LYS 114 - HB3 LEU 72 OK 21 94 - 22 - 6753/4.4=8, 6736/3.4=4...(5) Peak 10998 from aliabs.peaks (3.69, 1.81, 42.88 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.21: HA ILE 83 - HB3 LEU 72 OK 21 62 - 33 - 10776/4.4=12, ~2120=4...(10) Peak 10999 from aliabs.peaks (0.23, 0.80, 22.30 ppm; 4.09 A): 3 out of 4 assignments used, quality = 0.64: QG2 VAL 71 + QG2 THR 74 OK 40 72 - 55 - 8602/4.0=21, 3.2/8496=10...(13) QG2 VAL 71 + QD2 LEU 72 OK 33 40 - 84 - 11549/2.1=20, ~10171=15...(24) QG2 VAL 71 + QD1 LEU 79 OK 11 41 - 27 - ~10593=5, 3.2/8496=5...(7) QG2 VAL 71 - QD2 LEU 126 poor 6 35 - 17 - ~10593=5, 8602/6782=4...(4) Peak 11000 from aliabs.peaks (0.22, 0.77, 26.47 ppm; 5.02 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11001 from aliabs.peaks (4.62, 2.27, 36.46 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.77: HA PRO 129 + HG3 GLU 142 OK 38 77 - 50 - 10379/4.0=16, ~4855=5...(15) HA ARG 124 + HG3 GLU 142 OK 36 89 - 40 - 10379/4.0=14, 4198/3.0=4...(11) HA PRO 129 + HG2 GLU 131 OK 34 44 - 78 - 10402/4.2=33, ~4463=9...(19) HA ARG 124 + HG2 GLU 131 OK 11 53 - 21 - 10289/4.2=9...(3) Peak 11002 from aliabs.peaks (3.40, 4.28, 43.05 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.66: HA THR 74 + HA3 GLY 78 OK 62 72 - 85 - 8692/3.0=41, 8607/1.8=23...(12) HB3 TYR 112 + HA3 GLY 78 OK 11 77 - 14 - 8569/8712=7, 8692/3.0=4 Peak 11003 from aliabs.peaks (0.55, 1.31, 26.38 ppm; 3.82 A): 0 out of 4 assignments used, low quality = 0.36: QD1 ILE 58 - HG LEU 87 OK 28 55 - 51 - 10950/2.1=9, 1590=5...(21) QD1 LEU 42 - HG LEU 87 OK 11 67 - 16 - ~10062=5, ~10066=4...(4) QD1 LEU 42 - HG LEU 79 lone 9 100 - 9 - ~8156=2, ~3157=1...(4) QD1 ILE 58 - HG LEU 79 lone 4 89 - 5 - 11290/11293=1 Peak 11004 from aliabs.peaks (1.40, 0.64, 26.93 ppm; 4.23 A): 5 out of 8 assignments used, quality = 0.86: HB VAL 82 + QD2 LEU 79 OK 41 72 - 56 - ~9941=14, ~9982=12...(12) HG2 LYS 36 + QD2 LEU 79 OK 41 100 - 41 - 10794/8716=7, 1.8/2391=7...(17) HB2 ARG 109 + QD2 LEU 79 OK 36 62 - 58 - 3.0/8728=14, ~9271=10...(19) HB2 ARG 35 + QD2 LEU 79 OK 26 100 - 26 - 2.9/8737=13, 1.8/8736=4...(6) HG LEU 116 + QD2 LEU 79 OK 16 100 - 16 - 10720/8716=4...(5) HG2 ARG 49 - QD2 LEU 79 poor 10 92 - 10 - 11558/2.1=1, 11557=1 HG3 LYS 93 - QD2 LEU 79 lone 8 85 - 10 - 1.8/2392=2 HG2 LYS 86 - QD2 LEU 79 lone 4 68 - 6 - 11558/2.1=1 Peak 11005 from aliabs.peaks (1.39, 0.80, 22.65 ppm; 3.16 A): 6 out of 36 assignments used, quality = 0.95: HB2 LEU 69 + QD1 LEU 79 OK 48 96 - 50 - 11558=8, 4.0/9930=8...(16) HB2 ARG 109 + QD1 LEU 79 OK 45 100 - 45 - 3.0/9271=8, ~8728=5...(17) HG2 LYS 86 + QD2 LEU 95 OK 40 93 - 44 - 11558=8, 2709/3.1=6...(20) HG LEU 132 + QD1 LEU 79 OK 37 77 - 48 - ~8738=12, ~8738=12...(11) HB VAL 82 + QD1 LEU 79 OK 32 100 - 32 - 2.1/9941=12, 2478/4.0=6...(8) HB2 LEU 69 + QD2 LEU 95 OK 30 87 - 35 - 4.0/9930=6, 3.0/8468=5...(13) HG2 LYS 36 - QD1 LEU 79 OK 21 72 - 30 - 3.9/8730=5, 3.9/8730=5...(11) HB2 LEU 69 - QD2 LEU 72 OK 18 32 - 56 - 3.0/8468=4, 2016/3.2=4...(34) HB VAL 82 - QD2 LEU 95 OK 13 92 - 14 - 2.1/9941=6, 9073/2.1=2 HB VAL 82 - QG2 THR 74 OK 11 66 - 17 - 2.1/9941=5, ~11037=3...(6) HB2 ARG 109 - QD2 LEU 95 OK 11 93 - 12 - 3.0/9271=3, 3.6/9275=1 HG LEU 132 - QD2 LEU 95 OK 11 67 - 16 - 2.1/8741=4, ~10423=2...(5) HB2 LEU 69 - QG2 THR 74 poor 8 60 - 13 - 4.0/9930=2, 8469=2...(7) HG2 LYS 86 - QD1 LEU 79 lone 8 100 - 8 - 11558=2 HB2 ARG 109 - QG2 THR 74 poor 8 66 - 11 - 3.0/9271=3, ~3528=2...(4) HG2 ARG 49 - QD1 LEU 79 lone 7 94 - 8 - HG LEU 132 - QD2 LEU 72 poor 7 22 - 31 - 2.1/10420=7, 2.1/9595=5...(11) HG2 ARG 49 - QD2 LEU 95 lone 6 84 - 7 - HG LEU 132 - QG2 THR 74 poor 5 44 - 12 - ~9582=3, ~11037=3...(4) HB VAL 82 - QD2 LEU 72 poor 5 35 - 13 - 8814=2, 2.1/9982=2...(5) HB3 LEU 39 - QD2 LEU 95 lone 4 62 - 7 - HB3 LEU 39 - QD2 LEU 72 poor 4 21 - 21 - ~10227=4, 844/5.0=1...(8) HG LEU 116 - QD1 LEU 79 lone 4 68 - 6 - 11558=2 HB3 LEU 39 - QD1 LEU 79 lone 4 72 - 5 - HG LEU 116 - QD2 LEU 95 lone 4 58 - 7 - ~10297=1, 11558=1, ~10116=1 HG2 LYS 86 - QD2 LEU 72 poor 4 35 - 10 - 2710/3.2=1 HB2 ARG 109 - QD2 LEU 72 lone 3 35 - 10 - 3.6/9275=2, 3.0/9271=2, ~9271=1 HG2 LYS 36 - QD2 LEU 95 lone 3 62 - 5 - HG2 ARG 49 - QG2 THR 74 lone 2 58 - 4 - HG2 LYS 36 - QD2 LEU 72 lone 2 21 - 9 - HG LEU 116 - QG2 THR 74 lone 2 38 - 5 - ~10695=1, 3885/4.3=1 HG2 LYS 86 - QG2 THR 74 lone 2 66 - 3 - HG LEU 116 - QD2 LEU 72 lone 1 19 - 7 - ~10227=2, ~10228=2...(4) HG2 LYS 36 - QG2 THR 74 lone 1 41 - 3 - HG2 ARG 49 - QD2 LEU 72 lone 1 30 - 3 - HB3 LEU 39 - QG2 THR 74 lone 1 41 - 2 - Peak 11006 from aliabs.peaks (1.32, 0.85, 22.49 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.55: HG12 ILE 83 + QD2 LEU 97 OK 42 100 - 42 - 3.8/9124=5, 2.1/2541=5...(18) QB ALA 60 + QD2 LEU 97 OK 22 68 - 32 - 9145/9125=6, 8319/2.1=5...(11) HG LEU 87 - QD2 LEU 97 poor 8 72 - 11 - 9146/9123=1, 9145/9125=1 HG2 LYS 85 - QD2 LEU 97 lone 6 85 - 7 - Peak 11007 from aliabs.peaks (6.79, 0.64, 26.93 ppm; 5.15 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11008 from aliabs.peaks (6.77, 0.80, 22.65 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.91: QE TYR 112 + QD1 LEU 79 OK 84 100 - 84 - ~8717=30, ~8717=27...(14) QE TYR 112 + QG2 THR 74 OK 35 66 - 53 - 8560/3.2=17, 6784/4.0=9...(11) QE TYR 112 + QD2 LEU 95 OK 13 92 - 14 - 2.2/9978=4, 11559/2402=2...(6) QE TYR 112 - QD2 LEU 72 poor 9 35 - 26 - 2.2/4712=6, ~9307=3...(9) Peak 11009 from aliabs.peaks (1.26, 0.44, 24.59 ppm; 3.62 A): 6 out of 7 assignments used, quality = 0.70: HB2 LEU 132 + QG2 VAL 82 OK 42 94 - 45 - 8816/3.2=11, 8817/3.2=8...(17) HG13 ILE 58 + QG2 VAL 82 OK 16 81 - 19 - 1.8/11566=4, 11566=4...(5) QG2 THR 99 + QG2 VAL 82 OK 12 85 - 14 - 8817/3.2=4, 10164/8655=2...(6) HG3 LYS 61 + QG2 VAL 82 OK 12 99 - 12 - 8817/3.2=3, 8816/3.2=3...(5) HB3 LEU 97 + QG2 VAL 82 OK 11 96 - 11 - 8817/3.2=4, 8808/2.1=2...(4) HG2 LYS 61 + QG2 VAL 82 OK 11 100 - 11 - 8816/3.2=4, ~8817=2...(4) QG2 THR 102 - QG2 VAL 82 lone 1 81 - 1 - Peak 11010 from aliabs.peaks (1.74, 0.44, 24.59 ppm; 3.71 A): 3 out of 8 assignments used, quality = 0.95: HB2 GLU 81 + QG2 VAL 82 OK 83 100 - 83 - 4.6/6896=21, 4.0/8776=19...(20) HB3 GLU 81 + QG2 VAL 82 OK 59 72 - 82 - 4.6/6896=21, 4.0/8776=19...(17) HB2 ARG 49 + QG2 VAL 82 OK 34 100 - 34 - 11567=6, 5.1/11597=4...(11) HD2 LYS 36 - QG2 VAL 82 OK 28 92 - 31 - 3.6/8801=5, 8783=4...(11) HB3 ARG 144 - QG2 VAL 82 OK 19 85 - 22 - 1.8/8801=6, 4.0/8804=3...(5) HB ILE 58 - QG2 VAL 82 OK 17 92 - 19 - 2.9/11009=4, 2.9/11566=4...(6) HG3 ARG 140 - QG2 VAL 82 lone 9 100 - 9 - 11567=2, 4.9/9978=2 HG3 ARG 89 - QG2 VAL 82 lone 2 62 - 4 - Peak 11011 from aliabs.peaks (2.15, 1.57, 28.74 ppm; 4.38 A): 7 out of 10 assignments used, quality = 0.94: HG2 GLU 81 + HD2 LYS 85 OK 69 94 - 73 - 8780/3.0=19, 8779/3.0=14...(19) HG2 GLU 81 + HD3 LYS 85 OK 50 65 - 77 - 8780/3.0=19, ~8786=15...(20) HG LEU 29 + HD2 LYS 85 OK 30 81 - 37 - 10042/3.0=14...(13) HG LEU 29 + HD3 LYS 85 OK 19 53 - 36 - 10042/3.0=14...(13) HB3 GLN 133 + HD2 LYS 85 OK 14 100 - 14 - 10042/3.0=4, 10043/3.0=3...(4) HB2 GLN 133 + HD2 LYS 85 OK 14 100 - 14 - 10042/3.0=4, ~10042=3...(4) HB3 GLN 133 + HD3 LYS 85 OK 10 73 - 14 - 10042/3.0=4, 10043/3.0=3...(4) HB2 GLN 133 - HD3 LYS 85 poor 10 72 - 14 - 10042/3.0=4, ~10042=3...(4) HG3 PRO 118 - HD2 LYS 85 lone 3 100 - 3 - HG3 PRO 118 - HD3 LYS 85 lone 2 73 - 3 - Peak 11012 from aliabs.peaks (2.29, 1.57, 28.74 ppm; 5.61 A): 2 out of 14 assignments used, quality = 0.97: HG3 GLU 81 + HD2 LYS 85 OK 92 98 - 94 - ~8780=24, 8787/3.0=24...(25) HG3 GLU 81 + HD3 LYS 85 OK 65 69 - 94 - ~8780=24, 8787/3.0=24...(25) HG2 GLU 120 - HD2 LYS 85 OK 21 98 - 22 - ~8864=5, 1.8/11605=4...(7) HG3 GLU 120 - HD2 LYS 85 OK 21 100 - 21 - ~8864=5, 11605=4...(6) HG3 GLU 75 - HD2 LYS 85 OK 17 100 - 17 - 8642/10051=6, 9927/3.0=3...(4) HG3 GLU 120 - HD3 LYS 85 OK 15 73 - 20 - ~8864=5, 11605/1.8=4...(6) HG2 GLU 120 - HD3 LYS 85 OK 14 69 - 21 - ~8864=5, ~11605=4...(7) HG2 GLU 131 - HD2 LYS 85 OK 12 68 - 19 - ~9566=5, ~9569=4...(5) HG3 GLU 75 - HD3 LYS 85 OK 11 73 - 15 - 8642/10051=4, 9927/3.0=3...(4) HG2 GLU 131 - HD3 LYS 85 poor 8 42 - 18 - ~9566=5, ~9569=4...(5) HG2 GLU 90 - HD2 LYS 85 lone 3 62 - 4 - 8899/10051=2 HG3 GLU 142 - HD2 LYS 85 lone 2 68 - 3 - HG2 GLU 90 - HD3 LYS 85 lone 1 39 - 3 - 8899/10051=1 HG3 GLU 142 - HD3 LYS 85 lone 1 42 - 3 - Peak 11013 from aliabs.peaks (7.18, 3.31, 29.06 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.70: QD TYR 27 + HB2 TRP 88 OK 60 99 - 61 - 11014/1.8=29...(11) H LYS 36 + HB2 TRP 88 OK 14 94 - 15 - 11014/1.8=7, 10058/3.0=3...(4) QE TYR 115 + HB2 TRP 88 OK 13 99 - 13 - 11014/1.8=6...(3) Peak 11014 from aliabs.peaks (7.18, 3.07, 29.06 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.75: QD TYR 27 + HB3 TRP 88 OK 65 99 - 66 - 11013/1.8=29...(14) H LYS 36 + HB3 TRP 88 OK 16 94 - 17 - 11013/1.8=7, 10058/3.0=3 QE TYR 115 + HB3 TRP 88 OK 14 99 - 14 - 11013/1.8=6...(3) Peak 11015 from aliabs.peaks (0.88, 1.65, 27.04 ppm; 4.12 A): 5 out of 6 assignments used, quality = 0.94: QG2 ILE 136 + HG2 ARG 140 OK 70 85 - 82 - 11016/1.8=15...(45) QG2 ILE 101 + HG2 ARG 140 OK 51 92 - 55 - 11016/1.8=10...(22) QD1 ILE 101 + HG2 ARG 140 OK 44 85 - 51 - 11016/1.8=9, ~11016=5...(22) QG2 ILE 56 + HG2 ARG 140 OK 18 96 - 18 - 10604/4.9=4, 11016/1.8=4...(6) QD1 LEU 97 + HG2 ARG 140 OK 14 81 - 18 - 11016/1.8=3, 10132/2.9=2...(7) HB3 LEU 42 - HG2 ARG 140 lone 3 62 - 4 - Peak 11016 from aliabs.peaks (0.88, 1.74, 27.04 ppm; 3.93 A): 5 out of 6 assignments used, quality = 0.92: QG2 ILE 136 + HG3 ARG 140 OK 66 85 - 78 - 11015/1.8=12...(44) QG2 ILE 101 + HG3 ARG 140 OK 46 92 - 50 - 11015/1.8=9, ~11574=4...(23) QD1 ILE 101 + HG3 ARG 140 OK 39 85 - 45 - 11015/1.8=8, ~11015=4...(22) QG2 ILE 56 + HG3 ARG 140 OK 16 96 - 17 - 10604/4.9=3, 11015/1.8=3...(5) QD1 LEU 97 + HG3 ARG 140 OK 13 81 - 16 - 11015/1.8=3, 10132/2.9=2...(4) HB3 LEU 42 - HG3 ARG 140 lone 2 62 - 3 - Peak 11017 from aliabs.peaks (0.65, 3.73, 57.74 ppm; 5.28 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 64 + HA LEU 108 OK 75 92 - 82 - 2.1/11018=24, 3.1/3466=9...(27) QD1 ILE 56 + HA LEU 108 OK 74 100 - 74 - 10223=34, 2.1/3467=8...(23) QD1 LEU 126 + HA LEU 108 OK 37 100 - 37 - 9272/4.9=10, 9492=5...(12) QD2 LEU 79 - HA LEU 108 OK 34 89 - 39 - 8728/4.9=13...(14) Peak 11018 from aliabs.peaks (0.85, 3.73, 57.74 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.51: QD1 LEU 64 + HA LEU 108 OK 36 62 - 58 - 2.1/11017=11, 3.2/3466=8...(19) QD2 LEU 97 + HA LEU 108 OK 24 100 - 24 - 10107/10403=6...(10) QG2 ILE 83 - HA LEU 108 lone 5 77 - 6 - 11041=3 Peak 11019 from aliabs.peaks (1.31, 3.33, 43.50 ppm; 5.32 A): 3 out of 4 assignments used, quality = 0.93: HG12 ILE 83 + HD3 ARG 109 OK 76 96 - 79 - 2.1/10030=38...(13) HG LEU 79 + HD3 ARG 109 OK 66 94 - 70 - 2.1/9275=15, 10238=15...(23) HG LEU 87 + HD3 ARG 109 OK 16 99 - 17 - ~8890=3, 2542/10030=2...(6) HG3 LYS 24 - HD3 ARG 109 lone 6 85 - 7 - 10238=1, 2542/10030=1 Peak 11021 from aliabs.peaks (7.04, 1.04, 21.00 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11022 from aliabs.peaks (0.63, 1.99, 27.32 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.37: QD2 LEU 79 - HB2 GLN 111 OK 30 94 - 31 - 11024/1.8=12...(9) QD2 LEU 79 - HG3 PRO 52 OK 10 78 - 13 - 8737/8228=1, 8738/9577=1...(4) Peak 11023 from aliabs.peaks (0.89, 1.99, 27.32 ppm; 4.35 A): 8 out of 10 assignments used, quality = 0.92: QG2 ILE 136 + HB2 GLN 111 OK 48 96 - 50 - 11044=10, 3.0/10341=8...(19) QG2 ILE 56 + HB2 GLN 111 OK 37 100 - 37 - 11200/4.6=4, ~11024=4...(13) QG2 ILE 101 + HB2 GLN 111 OK 34 99 - 35 - 1459=3, 3.2/10132=3...(19) QD1 ILE 101 + HB2 GLN 111 OK 31 96 - 32 - 2.1/10132=3, 3.1/1459=3...(18) QG2 ILE 136 + HG3 PRO 52 OK 20 80 - 25 - 11044=5, 3.0/10341=4...(7) QD1 LEU 97 + HB2 GLN 111 OK 15 94 - 16 - 9129=4, 2.1/10130=3...(5) QG2 ILE 101 + HG3 PRO 52 OK 11 84 - 13 - 10535/2.3=2...(4) QG2 ILE 56 + HG3 PRO 52 OK 10 86 - 11 - ~8235=2 QD1 ILE 101 - HG3 PRO 52 lone 8 80 - 10 - 2.1/10132=1, ~9183=1 QD1 LEU 97 - HG3 PRO 52 lone 6 78 - 8 - 9129=1, 9155/9153=1, 2.1/10130=1 Peak 11024 from aliabs.peaks (0.64, 1.90, 27.32 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.83: QD1 ILE 56 + HB3 GLN 111 OK 45 77 - 59 - 3.1/11025=9, ~11484=8...(14) QD1 LEU 126 + HB3 GLN 111 OK 45 81 - 55 - 11483/3.0=14...(9) QD2 LEU 79 + HB3 GLN 111 OK 42 100 - 42 - 11022/1.8=28...(8) Peak 11025 from aliabs.peaks (0.88, 1.90, 27.32 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.95: QG2 ILE 136 + HB3 GLN 111 OK 61 85 - 72 - ~11485=11, 11023/1.8=11...(21) QG2 ILE 56 + HB3 GLN 111 OK 57 96 - 60 - 3.1/11024=13...(15) QG2 ILE 101 + HB3 GLN 111 OK 48 92 - 52 - 11023/1.8=8, ~11023=6...(19) QD1 ILE 101 + HB3 GLN 111 OK 43 85 - 51 - 11023/1.8=7, ~11023=7...(19) QD1 LEU 97 - HB3 GLN 111 OK 16 81 - 19 - ~10130=3, 11023/1.8=3...(5) HB3 LEU 42 - HB3 GLN 111 lone 5 62 - 7 - ~8148=2, ~8148=1 Peak 11028 from aliabs.peaks (7.48, 0.44, 24.59 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.60: HD1 TRP 88 + QG2 VAL 82 OK 60 100 - 60 - ~8925=35, ~8830=31...(4) Peak 11029 from aliabs.peaks (0.54, 1.40, 26.69 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.87: QD1 LEU 42 + HG LEU 116 OK 81 89 - 91 - 9391/2.1=38, ~9392=33...(20) QD1 ILE 58 + HG2 ARG 49 OK 23 76 - 30 - 10417/3.0=11, ~9863=4...(12) QD1 ILE 58 + HG LEU 116 OK 12 100 - 12 - 9391/2.1=6, 10494/11094=2 QD1 LEU 42 - HG2 ARG 49 lone 4 63 - 6 - 9391/3898=1 Peak 11030 from aliabs.peaks (0.31, 1.40, 26.69 ppm; 4.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11031 from aliabs.peaks (6.99, 1.93, 30.04 ppm; 6.80 A): 0 out of 8 assignments used, low quality = 0.34: HE21 GLN 25 - HB2 PRO 118 OK 26 81 - 32 - 4.4/3951=4, ~221=3...(14) QE PHE 43 - HB2 PRO 118 OK 10 100 - 10 - 4818/2.3=3, 4742/2.3=2 QE PHE 43 - HB2 ARG 140 lone 7 96 - 7 - 4818/3.0=3 QD PHE 38 - HB2 PRO 118 lone 4 68 - 6 - 8525/8520=1 HE21 GLN 25 - HB2 ARG 140 lone 4 76 - 5 - QD PHE 38 - HB2 ARG 140 lone 3 62 - 4 - 8525/8520=1 HH2 TRP 17 - HB2 PRO 118 lone 2 85 - 3 - HH2 TRP 17 - HB2 ARG 140 lone 2 80 - 3 - Peak 11032 from aliabs.peaks (7.12, 2.11, 28.88 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.89: QE PHE 45 + HG2 PRO 118 OK 76 98 - 78 - 11550/1.8=30...(11) QD PHE 106 + HG2 PRO 118 OK 47 89 - 52 - 9426/2.3=17...(6) HZ PHE 106 + HG2 PRO 118 OK 16 77 - 21 - 3.8/9230=12, 9425/3.8=4 Peak 11033 from aliabs.peaks (0.54, 2.78, 38.09 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 42 + HB3 TYR 119 OK 93 94 - 99 - 8160/2.7=45, 9421/3.0=45...(15) QD1 ILE 58 + HB3 TYR 119 OK 40 100 - 40 - 9421/3.0=22...(6) Peak 11034 from aliabs.peaks (0.41, 1.95, 29.51 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 132 + HB3 GLU 122 OK 76 100 - 76 - 11037/1.8=20...(25) HG3 LYS 123 + HB3 GLU 122 OK 60 62 - 96 - 1.8/11606=24...(31) Peak 11035 from aliabs.peaks (0.33, 1.95, 29.51 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.75: HG2 LYS 123 + HB3 GLU 122 OK 71 72 - 99 - 7532/4.7=34, ~9455=26...(32) QD1 ILE 91 + HB3 GLU 122 OK 14 57 - 24 - ~11533=4, ~8975=4...(8) Peak 11036 from aliabs.peaks (0.35, 1.53, 29.51 ppm; 6.70 A): 3 out of 3 assignments used, quality = 0.83: HG2 LYS 123 + HB2 GLU 122 OK 71 72 - 99 - 7532/4.7=34, ~9455=26...(33) QD1 ILE 91 + HB2 GLU 122 OK 32 85 - 38 - 11606/1.8=13, ~11533=4...(8) QD2 LEU 42 + HB2 GLU 122 OK 10 100 - 10 - 10703/4064=1, ~9066=1 Peak 11037 from aliabs.peaks (0.42, 1.53, 29.51 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.56: QD2 LEU 132 + HB2 GLU 122 OK 56 81 - 69 - 11034/1.8=12, 9452/4.0=8...(24) Peak 11039 from aliabs.peaks (3.10, 4.08, 57.69 ppm; 5.56 A): 2 out of 6 assignments used, quality = 0.63: HA TYR 119 + HA LEU 132 OK 58 100 - 59 - 10704/3.8=23...(11) HD2 ARG 109 + HA LEU 132 OK 12 81 - 14 - 9581/4.0=5, 3.6/4472=3...(5) HA ALA 105 - HA LEU 132 lone 10 100 - 10 - 9581/4.0=4, 3411/7713=1 HD2 ARG 145 - HA LEU 132 lone 4 68 - 6 - 9581/4.0=2 HD3 ARG 145 - HA LEU 132 lone 4 62 - 6 - 9581/4.0=2 HB3 ASN 96 - HA LEU 132 lone 2 62 - 4 - 9581/4.0=1 Peak 11040 from aliabs.peaks (4.36, 4.22, 58.61 ppm; 3.85 A): 0 out of 6 assignments used, low quality = 0.00: HA ASP 65 - HA LYS 93 lone 6 96 - 6 - ~11255=2, 8386/10090=1 HA TYR 70 - HA LYS 93 lone 2 81 - 3 - 11578/10090=1 HA ILE 56 - HA LYS 93 lone 2 68 - 4 - 11578/10090=1 HA ARG 144 - HA LYS 93 lone 1 81 - 2 - HB THR 51 - HA LYS 93 lone 1 100 - 1 - HA3 GLY 77 - HA LYS 93 lone 1 72 - 1 - Peak 11042 from aliabs.peaks (3.90, 1.40, 30.17 ppm; 6.00 A): 2 out of 2 assignments used, quality = 0.57: HD3 PRO 98 + HB2 ARG 35 OK 47 96 - 48 - 2.3/594=7, 2.3/594=6...(22) HA MET 46 + HB2 ARG 35 OK 20 89 - 22 - 10501/2.9=4, 5.2/10491=3...(8) Peak 11043 from aliabs.peaks (1.90, 1.22, 21.95 ppm; 4.32 A): 4 out of 10 assignments used, quality = 0.89: HB3 GLN 111 + QG2 THR 107 OK 67 100 - 67 - 3.0/9254=20...(12) HB ILE 101 + QG2 THR 107 OK 49 98 - 50 - 2.1/9245=11, 3.2/9245=9...(15) HB2 MET 59 + QG2 THR 107 OK 27 72 - 37 - 4.2/10567=14...(3) HB3 LEU 69 + QG2 THR 107 OK 13 96 - 13 - ~9241=2, 11377/10916=2...(4) HB2 GLN 62 - QG2 THR 107 lone 9 100 - 9 - 4.6/11589=5, 8347/9247=1 HB3 LYS 24 - QG2 THR 107 lone 6 100 - 6 - HB3 ARG 140 - QG2 THR 107 lone 4 94 - 5 - HB3 ARG 89 - QG2 THR 107 lone 4 100 - 4 - HB3 LYS 93 - QG2 THR 107 lone 4 92 - 4 - HB3 ARG 141 - QG2 THR 107 lone 4 81 - 4 - Peak 11044 from aliabs.peaks (3.83, 1.22, 21.95 ppm; 4.03 A): 4 out of 6 assignments used, quality = 0.79: HA THR 110 + QG2 THR 107 OK 52 72 - 71 - 3.0/9286=24, ~3452=11...(12) HB2 SER 100 + QG2 THR 107 OK 40 100 - 40 - ~10473=11, 3453/2.1=8...(9) HA LEU 66 + QG2 THR 107 OK 15 92 - 17 - 4.0/9247=8...(3) HA GLN 133 + QG2 THR 107 OK 13 77 - 17 - 3.0/10165=2, 3.0/10165=2...(7) HB2 SER 127 - QG2 THR 107 lone 4 68 - 6 - 3453/2.1=1 HA3 GLY 50 - QG2 THR 107 lone 2 92 - 2 - Peak 11045 from aliabs.peaks (3.85, 1.48, 17.85 ppm; 4.36 A): 3 out of 7 assignments used, quality = 0.96: HA GLN 133 + QB ALA 134 OK 85 92 - 93 - 2.8/9660=38, 3.6/4575=33...(18) HD2 PRO 118 + QB ALA 134 OK 62 98 - 64 - ~9649=14, 2.3/9638=11...(17) HA ALA 104 + QB ALA 134 OK 35 99 - 35 - 2.1/10156=12, ~10192=8...(7) HA MET 68 - QB ALA 134 OK 17 85 - 20 - 3.0/9637=3, 3.7/9640=2...(7) HB2 SER 127 - QB ALA 134 OK 11 96 - 12 - 9501/9561=2...(5) HA LEU 66 - QB ALA 134 poor 9 77 - 12 - 9653/4.0=3, 7730/3.7=2...(5) HA LYS 36 - QB ALA 134 lone 7 85 - 8 - 3.0/10321=1, 3.0/10322=1 Peak 11046 from aliabs.peaks (3.85, 4.21, 54.28 ppm; 5.50 A): 3 out of 8 assignments used, quality = 1.00: HA GLN 133 + HA ALA 134 OK 98 98 - 100 - 4.9=100 HD2 PRO 118 + HA ALA 134 OK 72 92 - 78 - 2.3/9649=31...(16) HA ALA 104 + HA ALA 134 OK 53 100 - 53 - ~10192=13, ~10156=11...(13) HA MET 68 - HA ALA 134 OK 16 72 - 22 - 11045/2.1=4, ~9637=3...(8) HB2 SER 127 - HA ALA 134 OK 13 100 - 13 - 11633/2.1=3, 7730/3.6=2...(5) HA LEU 66 - HA ALA 134 OK 12 89 - 14 - 7730/3.6=3, 11045/2.1=2...(5) HB2 SER 100 - HA ALA 134 OK 12 62 - 19 - 4.5/7187=5, 11633/2.1=3...(7) HA LYS 36 - HA ALA 134 lone 7 72 - 10 - 10474/10448=2...(4) Peak 11047 from aliabs.peaks (3.45, 3.85, 49.82 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.51: HB3 PHE 45 + HD2 PRO 118 OK 51 99 - 51 - 11048/1.8=32, 11703=11...(7) Peak 11048 from aliabs.peaks (3.45, 4.09, 49.82 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.59: HB3 PHE 45 + HD3 PRO 118 OK 59 100 - 59 - 11047/1.8=46, 4666/4.6=7...(6) Peak 11049 from aliabs.peaks (3.84, 4.30, 66.72 ppm; 5.72 A): 2 out of 6 assignments used, quality = 0.95: HA GLN 133 + HA PRO 118 OK 88 100 - 88 - 7467/3.6=15, 4528/2.3=14...(26) HD2 PRO 118 + HA PRO 118 OK 62 62 - 100 - 3.6=100 HB2 SER 100 - HA PRO 118 OK 29 92 - 31 - 9163/2.3=4, ~3956=4...(12) HA LEU 66 - HA PRO 118 OK 15 100 - 15 - 3937/3.6=2, 7467/3.6=2...(5) HA ALA 104 - HA PRO 118 OK 12 96 - 12 - 7467/3.6=2, 3937/3.6=1...(5) HB2 SER 127 - HA PRO 118 lone 8 99 - 8 - Peak 11050 from aliabs.peaks (8.42, 4.09, 49.82 ppm; 5.35 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11053 from aliabs.peaks (0.34, 4.16, 54.47 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.98: HG2 LYS 123 + HA LYS 76 OK 87 100 - 87 - 8650/3.0=22, 8658/4.1=14...(34) QD1 ILE 91 + HA LYS 76 OK 84 100 - 84 - 8994/3.0=25, 8658/4.1=22...(16) QD2 LEU 42 - HA LYS 76 OK 29 89 - 33 - 8813/8653=16, 8658/4.1=6...(6) Peak 11054 from aliabs.peaks (0.43, 1.86, 31.66 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.96: QG2 VAL 82 + HB3 LYS 76 OK 96 98 - 98 - 8655/1.8=41...(24) QG2 VAL 82 - HB3 LYS 85 OK 42 60 - 70 - ~2580=15, 3.2/2592=12...(20) HG2 LYS 114 - HB3 LYS 76 OK 17 62 - 28 - 8664/3.5=12, 3813/5.1=5...(7) HG2 LYS 114 - HB3 LYS 85 lone 2 33 - 5 - 2473/2592=1, 8664/2298=1 Peak 11055 from aliabs.peaks (0.43, 1.17, 24.61 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.87: QG2 VAL 82 + HG2 LYS 76 OK 87 92 - 95 - 11718/3.0=31...(23) Peak 11056 from aliabs.peaks (0.33, 1.86, 31.66 ppm; 5.98 A): 2 out of 4 assignments used, quality = 0.94: HG2 LYS 123 + HB3 LYS 76 OK 84 85 - 98 - 8658/3.0=25, 8663/3.5=25...(45) QD1 ILE 91 + HB3 LYS 76 OK 66 72 - 91 - 8658/3.0=31, 8666/3.5=31...(21) HG2 LYS 123 - HB3 LYS 85 OK 19 48 - 39 - 10060/8897=3...(22) QD1 ILE 91 - HB3 LYS 85 OK 11 39 - 27 - 10062/8891=4...(12) Peak 11057 from aliabs.peaks (0.43, 1.36, 27.63 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 82 + HD3 LYS 76 OK 85 92 - 92 - 11055/3.0=32...(15) Peak 11058 from aliabs.peaks (0.73, 2.76, 41.80 ppm; 3.30 A): 3 out of 3 assignments used, quality = 0.87: QD1 LEU 87 + HE3 LYS 76 OK 67 89 - 75 - 8660/3.9=12, 8665/3.0=12...(18) QD1 LEU 87 + HE2 LYS 76 OK 57 77 - 75 - 8660/3.9=12, 8665/3.0=12...(18) QD1 LEU 87 + HE2 LYS 114 OK 11 87 - 13 - 8798/8803=2, 2.1/8900=2...(4) Peak 11059 from aliabs.peaks (0.34, 2.76, 41.80 ppm; 3.61 A): 5 out of 9 assignments used, quality = 0.99: QD1 ILE 91 + HE3 LYS 76 OK 72 98 - 74 - 8666/3.0=20, 8663/3.0=19...(21) QD1 ILE 91 + HE2 LYS 76 OK 64 87 - 73 - 8666/3.0=20, 8663/3.0=19...(21) QD1 ILE 91 + HE2 LYS 114 OK 63 96 - 65 - 8983=8, ~3825=7...(24) HG2 LYS 123 + HE3 LYS 76 OK 59 100 - 59 - 8666/3.0=12, 8663/3.0=9...(19) HG2 LYS 123 + HE2 LYS 76 OK 53 91 - 58 - 8666/3.0=12, 8663/3.0=9...(19) QD2 LEU 42 - HE3 LYS 76 OK 18 77 - 24 - 8813/8803=4, 2.1/8148=4...(9) QD2 LEU 42 - HE2 LYS 76 OK 15 65 - 23 - 2.1/8148=4, 8813/8803=3...(9) QD2 LEU 42 - HE2 LYS 114 OK 10 75 - 14 - 8813/8803=2, ~8145=2...(7) HG2 LYS 123 - HE2 LYS 114 lone 9 99 - 10 - 4132/4.9=2 Peak 11060 from aliabs.peaks (0.87, 3.33, 43.50 ppm; 4.43 A): 3 out of 3 assignments used, quality = 0.76: QG2 ILE 83 + HD3 ARG 109 OK 66 99 - 67 - 3.1/10030=27...(13) HB3 LEU 42 + HD3 ARG 109 OK 22 100 - 21 - 10237=10, ~8150=5...(5) QD1 LEU 64 + HD3 ARG 109 OK 12 100 - 12 - 2541/10030=3, 10237=3...(5) Peak 11061 from aliabs.peaks (-1.11, 3.71, 62.40 ppm; 6.77 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 82 + HA ILE 91 OK 97 98 - 99 - 11029/4.2=49...(20) Peak 11062 from aliabs.peaks (0.34, 3.20, 57.29 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.86: QD2 LEU 42 + HA LEU 39 OK 67 72 - 92 - 11436=50, 8122/3.9=49...(13) QD1 ILE 91 + HA LEU 39 OK 53 96 - 55 - 9002/3.6=17, ~10759=13...(16) HG2 LYS 123 + HA LEU 39 OK 10 100 - 10 - 9394/9373=1, 927/825=1 Peak 11063 from aliabs.peaks (0.91, 3.20, 57.29 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.84: QG2 VAL 80 + HA LEU 39 OK 64 99 - 65 - 11064/3.8=15, 11724=13...(16) QD2 LEU 29 + HA LEU 39 OK 33 68 - 49 - 2.1/818=16, ~839=13...(6) HB2 LEU 64 + HA LEU 39 OK 33 89 - 37 - ~11015=9, ~10625=8...(7) QD1 LEU 97 - HA LEU 39 poor 7 62 - 11 - 11064/3.8=4, 11724=3 Peak 11064 from aliabs.peaks (0.90, 0.03, 26.33 ppm; 4.58 A): 5 out of 7 assignments used, quality = 0.88: QG2 VAL 80 + QD1 LEU 39 OK 59 100 - 59 - 9946/2.1=10, 4.4/8133=9...(17) QG2 ILE 136 + QD1 LEU 39 OK 47 81 - 58 - 2.3/855=9, 10338/3.2=6...(19) HB2 LEU 64 + QD1 LEU 39 OK 21 68 - 31 - ~11015=4, ~10625=3...(13) QD1 LEU 97 + QD1 LEU 39 OK 17 85 - 20 - 2.1/8113=6...(5) QG2 ILE 56 + QD1 LEU 39 OK 16 62 - 26 - 3.2/8112=12, 3.2/8112=9 QD1 ILE 101 - QD1 LEU 39 lone 6 81 - 8 - 10908/10574=1 QG2 ILE 101 - QD1 LEU 39 lone 6 72 - 8 - Peak 11065 from aliabs.peaks (0.69, -0.19, 40.39 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: QD2 LEU 66 + HB2 LEU 42 OK 89 100 - 89 - 8405/3.1=50, ~9893=32...(13) QD1 ILE 83 + HB2 LEU 42 OK 86 100 - 86 - ~10016=15, 11213/4.5=13...(26) HB3 LEU 116 + HB2 LEU 42 OK 76 77 - 98 - ~9392=41, ~9391=33...(18) QD2 LEU 39 + HB2 LEU 42 OK 54 77 - 70 - 3.9/825=34, 8122/3.1=33...(7) Average quality of peak assignments : 0.863 Average number of used assignments : 2.442 Average rank of reference assignment: 1.029 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 15807 in cnoeabs.peaks : 7481 in nnoeabs.peaks : 2339 in aliabs.peaks : 5987 assigned : 14899 unassigned : 908 without assignment possibility : 225 with violation below 0.5 A : 683 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in cnoeabs.peaks : 419 in nnoeabs.peaks : 157 in aliabs.peaks : 332 with diagonal assignment : 1692 Cross peaks: with off-diagonal assignment : 13207 with unique assignment : 3433 with short-range assignment |i-j|<=1: 9318 with medium-range assignment 1<|i-j|<5 : 1900 with long-range assignment |i-j|>=5: 1989 Comparison with reference assignment: Cross peaks with reference assignment : 8801 with identical reference assignment : 2704 with compatible reference assignment : 8578 with incompatible reference assignment : 6 with additional reference assignment : 25 with additional assignment : 4623